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 2wmf_1_A DATA FIRST_RESID 35 DATA SEQUENCE VQMRTTINNE SPLLLSPLYG NDNGNGLWWG NTLKGAWEAI PEDVKPYAAI DATA SEQUENCE ELHPAKVCKP TSCIPRDTKE LREWYVKMLE EAQSLNIPVF LVIMSAGERN DATA SEQUENCE TVPPEWLDEQ FQKYSVLKGV LNIENYWIYN NQLAPHSAKY LEVCAKYGAH DATA SEQUENCE FIWHDHEKWF WETIMNDPTF FEASQKYHKN LVLATKNTPI RDDAGTDSIV DATA SEQUENCE SGFWLSGLCD NWGSSTDTWK WWEKHYTNTF ETGRARDMRS YASEPESMIA DATA SEQUENCE MEMMNVYTGG GTVYNFECAA YTFMTNDVPT PAFTKGIIPF FRHAIQNPAP DATA SEQUENCE SKEEVVNRTK AVFWNGEGRI SSLNGFYQGL YSNDETMPLY NNGRYHILPV DATA SEQUENCE IHEKIDKEKI SSIFPNAKIL TKNSEELSSK VNYLNSLYPK LYEGDGYAQR DATA SEQUENCE VGNSWYIYNS NANINKNQQV MLPMYTNNTK SLSLDLTPHT YAVVKENPNN DATA SEQUENCE LHILLNNYRT DKTAMWALSG NFDASKSWKK EELELANWIS KNYSINPVDN DATA SEQUENCE DFRTTTLTLS GHTGHKPQIN ISGDKNHYTY TENWDENTHV YTITVNHNGM DATA SEQUENCE VEMSI 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 35 V HA 0.000 nan 4.120 nan 0.000 0.244 35 V C 0.000 176.060 176.094 -0.057 0.000 1.182 35 V CA 0.000 62.253 62.300 -0.079 0.000 1.235 35 V CB 0.000 31.747 31.823 -0.126 0.000 1.184 36 Q N 3.904 123.679 119.800 -0.040 0.000 2.293 36 Q HA 0.513 4.856 4.340 0.005 0.000 0.251 36 Q C -0.349 175.637 176.000 -0.023 0.000 0.930 36 Q CA -0.752 55.039 55.803 -0.020 0.000 0.893 36 Q CB 1.139 29.875 28.738 -0.005 0.000 1.215 36 Q HN 0.667 nan 8.270 nan 0.000 0.425 37 M N 3.184 122.782 119.600 -0.003 0.000 2.239 37 M HA 0.035 4.518 4.480 0.005 0.000 0.348 37 M C 0.922 177.246 176.300 0.040 0.000 1.239 37 M CA 0.964 56.268 55.300 0.008 0.000 1.114 37 M CB 0.177 32.815 32.600 0.062 0.000 1.641 37 M HN 0.736 nan 8.290 nan 0.000 0.453 38 R N 0.636 121.156 120.500 0.035 0.000 2.148 38 R HA 0.025 4.368 4.340 0.005 0.000 0.223 38 R C 0.016 176.383 176.300 0.112 0.000 1.088 38 R CA 0.870 57.000 56.100 0.050 0.000 0.985 38 R CB 0.055 30.361 30.300 0.010 0.000 0.880 38 R HN 0.645 nan 8.270 nan 0.000 0.451 39 T N 0.097 114.780 114.554 0.215 0.000 2.921 39 T HA 0.201 4.554 4.350 0.005 0.000 0.297 39 T C -0.627 174.240 174.700 0.278 0.000 1.013 39 T CA -0.589 61.661 62.100 0.251 0.000 0.990 39 T CB 2.689 71.752 68.868 0.325 0.000 1.023 39 T HN -0.183 nan 8.240 nan 0.000 0.447 40 T N 3.841 118.515 114.554 0.200 0.000 2.727 40 T HA 0.521 4.874 4.350 0.005 0.000 0.298 40 T C -0.037 174.778 174.700 0.191 0.000 0.942 40 T CA -0.286 61.928 62.100 0.191 0.000 0.997 40 T CB -0.275 68.683 68.868 0.149 0.000 0.917 40 T HN 0.407 nan 8.240 nan 0.000 0.487 41 I N 5.115 125.791 120.570 0.178 0.000 2.410 41 I HA 0.473 4.646 4.170 0.005 0.000 0.286 41 I C -0.321 175.877 176.117 0.134 0.000 1.009 41 I CA -0.827 60.545 61.300 0.120 0.000 1.111 41 I CB 1.375 39.357 38.000 -0.029 0.000 1.262 41 I HN 0.701 nan 8.210 nan 0.000 0.443 42 N N 3.163 121.935 118.700 0.120 0.000 3.261 42 N HA 0.134 4.877 4.740 0.005 0.000 0.248 42 N C 0.180 175.730 175.510 0.067 0.000 1.498 42 N CA -0.882 52.234 53.050 0.111 0.000 0.884 42 N CB 0.056 38.624 38.487 0.134 0.000 1.428 42 N HN 0.356 nan 8.380 nan 0.000 0.517 43 N N -0.049 118.685 118.700 0.056 0.000 2.205 43 N HA -0.220 4.523 4.740 0.005 0.000 0.186 43 N C 0.305 175.811 175.510 -0.006 0.000 1.015 43 N CA 1.689 54.743 53.050 0.007 0.000 0.862 43 N CB -0.422 38.069 38.487 0.006 0.000 0.986 43 N HN 0.790 nan 8.380 nan 0.000 0.429 44 E N -0.779 119.434 120.200 0.021 0.000 2.481 44 E HA 0.070 4.423 4.350 0.005 0.000 0.195 44 E C -0.139 176.474 176.600 0.022 0.000 1.047 44 E CA 0.151 56.553 56.400 0.004 0.000 0.867 44 E CB 0.152 29.872 29.700 0.034 0.000 0.858 44 E HN 0.226 nan 8.360 nan 0.000 0.513 45 S N 1.344 117.092 115.700 0.080 0.000 2.440 45 S HA 0.193 4.666 4.470 0.005 0.000 0.142 45 S C -2.698 172.042 174.600 0.235 0.000 1.578 45 S CA -1.420 56.925 58.200 0.241 0.000 1.260 45 S CB 0.440 63.828 63.200 0.314 0.000 1.407 45 S HN -0.072 nan 8.310 nan 0.000 0.392 46 P HA 0.363 nan 4.420 nan 0.000 0.275 46 P C -0.899 176.705 177.300 0.506 0.000 1.266 46 P CA -0.698 62.555 63.100 0.256 0.000 0.793 46 P CB 0.739 32.561 31.700 0.204 0.000 1.074 47 L N 0.968 122.495 121.223 0.506 0.000 2.381 47 L HA 0.509 4.852 4.340 0.005 0.000 0.274 47 L C -1.275 175.761 176.870 0.278 0.000 0.988 47 L CA -0.885 54.192 54.840 0.395 0.000 0.824 47 L CB 1.322 43.474 42.059 0.154 0.000 1.263 47 L HN 0.144 nan 8.230 nan 0.000 0.410 48 L N 5.871 127.077 121.223 -0.028 0.000 2.287 48 L HA 0.599 4.942 4.340 0.005 0.000 0.287 48 L C -1.387 175.454 176.870 -0.048 0.000 1.022 48 L CA -0.051 54.600 54.840 -0.316 0.000 0.814 48 L CB 1.134 42.542 42.059 -1.085 0.000 1.217 48 L HN 0.603 nan 8.230 nan 0.000 0.420 49 L N 4.596 125.829 121.223 0.017 0.000 2.295 49 L HA 0.571 4.914 4.340 0.005 0.000 0.285 49 L C -0.154 176.714 176.870 -0.004 0.000 1.035 49 L CA -0.254 54.590 54.840 0.008 0.000 0.806 49 L CB 1.599 43.638 42.059 -0.033 0.000 1.214 49 L HN 0.634 nan 8.230 nan 0.000 0.426 50 S N 4.085 119.697 115.700 -0.147 0.000 2.552 50 S HA 0.551 5.024 4.470 0.005 0.000 0.314 50 S C -2.601 171.784 174.600 -0.358 0.000 1.099 50 S CA -1.156 56.718 58.200 -0.543 0.000 1.070 50 S CB 1.872 64.311 63.200 -1.268 0.000 0.998 50 S HN 0.357 nan 8.310 nan 0.000 0.474 51 P HA 0.560 nan 4.420 nan 0.000 0.296 51 P C -1.215 176.200 177.300 0.192 0.000 1.301 51 P CA -0.671 62.437 63.100 0.014 0.000 0.862 51 P CB 1.112 32.868 31.700 0.094 0.000 1.046 52 L N 2.981 124.255 121.223 0.085 0.000 2.333 52 L HA 0.547 4.890 4.340 0.005 0.000 0.269 52 L C -0.509 176.353 176.870 -0.014 0.000 1.010 52 L CA -0.996 53.998 54.840 0.257 0.000 0.818 52 L CB 1.463 43.712 42.059 0.316 0.000 1.306 52 L HN 0.350 nan 8.230 nan 0.000 0.430 53 Y N -0.408 120.200 120.300 0.514 0.000 2.406 53 Y HA 0.496 5.049 4.550 0.005 0.000 0.340 53 Y C 0.699 176.745 175.900 0.243 0.000 0.975 53 Y CA -0.820 57.493 58.100 0.355 0.000 1.056 53 Y CB 2.043 40.744 38.460 0.401 0.000 1.210 53 Y HN 0.580 nan 8.280 nan 0.000 0.448 54 G N 2.112 110.904 108.800 -0.014 0.000 2.398 54 G HA2 0.146 4.109 3.960 0.005 0.000 0.246 54 G HA3 0.146 4.109 3.960 0.005 0.000 0.246 54 G C -0.497 174.281 174.900 -0.203 0.000 1.289 54 G CA -0.182 44.741 45.100 -0.295 0.000 0.869 54 G HN 0.536 nan 8.290 nan 0.000 0.543 55 N N 0.250 118.947 118.700 -0.004 0.000 2.361 55 N HA 0.224 4.967 4.740 0.005 0.000 0.302 55 N C -0.003 175.462 175.510 -0.074 0.000 1.074 55 N CA -1.065 51.980 53.050 -0.008 0.000 0.850 55 N CB 1.670 40.307 38.487 0.249 0.000 1.228 55 N HN 0.456 nan 8.380 nan 0.000 0.491 56 D N 0.655 120.974 120.400 -0.134 0.000 2.676 56 D HA 0.178 4.821 4.640 0.005 0.000 0.239 56 D C -0.505 175.781 176.300 -0.023 0.000 1.213 56 D CA -0.048 53.886 54.000 -0.110 0.000 0.835 56 D CB -0.736 39.964 40.800 -0.168 0.000 1.009 56 D HN 0.415 nan 8.370 nan 0.000 0.479 57 N N -1.265 117.457 118.700 0.037 0.000 3.348 57 N HA 0.429 5.172 4.740 0.005 0.000 0.233 57 N C 0.321 175.893 175.510 0.104 0.000 1.440 57 N CA 0.449 53.539 53.050 0.068 0.000 0.887 57 N CB 1.110 39.644 38.487 0.079 0.000 1.410 57 N HN 0.161 nan 8.380 nan 0.000 0.502 58 G N 1.615 110.469 108.800 0.090 0.000 2.596 58 G HA2 -0.379 3.584 3.960 0.005 0.000 0.295 58 G HA3 -0.379 3.584 3.960 0.005 0.000 0.295 58 G C 0.437 175.396 174.900 0.098 0.000 1.240 58 G CA 0.760 45.916 45.100 0.093 0.000 0.985 58 G HN 1.139 nan 8.290 nan 0.000 0.555 59 N N 1.471 120.236 118.700 0.109 0.000 2.449 59 N HA 0.348 5.091 4.740 0.005 0.000 0.191 59 N C 1.589 177.191 175.510 0.153 0.000 1.161 59 N CA 0.904 54.020 53.050 0.108 0.000 0.863 59 N CB 0.088 38.631 38.487 0.093 0.000 0.980 59 N HN 2.225 nan 8.380 nan 0.000 0.458 60 G N 0.083 109.002 108.800 0.198 0.000 2.159 60 G HA2 -0.247 3.716 3.960 0.005 0.000 0.256 60 G HA3 -0.247 3.716 3.960 0.005 0.000 0.256 60 G C -0.274 174.876 174.900 0.417 0.000 0.977 60 G CA 0.333 45.621 45.100 0.313 0.000 0.652 60 G HN 0.299 nan 8.290 nan 0.000 0.531 61 L N -0.899 120.523 121.223 0.332 0.000 2.401 61 L HA 0.588 4.931 4.340 0.005 0.000 0.266 61 L C 0.377 177.488 176.870 0.402 0.000 0.991 61 L CA -1.249 53.825 54.840 0.390 0.000 0.818 61 L CB 1.814 44.086 42.059 0.354 0.000 1.321 61 L HN 0.235 nan 8.230 nan 0.000 0.413 62 W N 2.693 124.110 121.300 0.195 0.000 2.141 62 W HA 0.066 4.729 4.660 0.004 0.000 0.354 62 W C -0.151 176.506 176.519 0.231 0.000 1.297 62 W CA 0.097 57.487 57.345 0.075 0.000 1.380 62 W CB 1.208 30.614 29.460 -0.090 0.000 1.168 62 W HN 0.603 nan 8.180 nan 0.000 0.639 63 W N 1.544 122.536 121.300 -0.513 0.000 3.520 63 W HA -0.220 4.442 4.660 0.004 0.000 0.305 63 W C 1.345 177.754 176.519 -0.183 0.000 1.150 63 W CA 1.694 58.816 57.345 -0.372 0.000 0.656 63 W CB -2.166 27.234 29.460 -0.099 0.000 2.198 63 W HN 0.941 nan 8.180 nan 0.000 1.417 64 G N -0.149 108.654 108.800 0.006 0.000 2.166 64 G HA2 -0.351 3.612 3.960 0.005 0.000 0.260 64 G HA3 -0.351 3.612 3.960 0.005 0.000 0.260 64 G C 0.393 175.331 174.900 0.064 0.000 0.986 64 G CA 0.556 45.669 45.100 0.022 0.000 0.683 64 G HN 0.305 nan 8.290 nan 0.000 0.527 65 N N 0.323 119.101 118.700 0.131 0.000 2.476 65 N HA 0.699 5.441 4.740 0.005 0.000 0.275 65 N C 0.510 176.099 175.510 0.131 0.000 1.190 65 N CA 0.571 53.691 53.050 0.117 0.000 0.977 65 N CB 1.414 40.004 38.487 0.172 0.000 1.200 65 N HN 0.564 nan 8.380 nan 0.000 0.515 66 T N -2.596 112.020 114.554 0.104 0.000 2.916 66 T HA 0.341 4.694 4.350 0.005 0.000 0.292 66 T C 0.966 175.740 174.700 0.124 0.000 1.055 66 T CA -0.749 61.415 62.100 0.106 0.000 1.009 66 T CB 1.301 70.213 68.868 0.072 0.000 1.118 66 T HN 0.164 nan 8.240 nan 0.000 0.497 67 L N 1.349 122.635 121.223 0.106 0.000 2.017 67 L HA 0.133 4.476 4.340 0.005 0.000 0.208 67 L C 2.639 179.590 176.870 0.136 0.000 1.073 67 L CA 2.006 56.911 54.840 0.108 0.000 0.745 67 L CB -0.869 41.208 42.059 0.031 0.000 0.894 67 L HN 0.931 nan 8.230 nan 0.000 0.432 68 K N -0.982 119.481 120.400 0.106 0.000 2.063 68 K HA -0.157 4.166 4.320 0.005 0.000 0.208 68 K C 1.959 178.651 176.600 0.152 0.000 1.048 68 K CA 1.552 57.917 56.287 0.130 0.000 0.928 68 K CB -0.647 31.904 32.500 0.086 0.000 0.713 68 K HN 0.487 nan 8.250 nan 0.000 0.442 69 G N 0.088 108.952 108.800 0.106 0.000 2.408 69 G HA2 -0.224 3.738 3.960 0.005 0.000 0.217 69 G HA3 -0.224 3.738 3.960 0.005 0.000 0.217 69 G C 1.546 176.498 174.900 0.086 0.000 1.150 69 G CA 0.809 45.949 45.100 0.066 0.000 0.776 69 G HN 0.444 nan 8.290 nan 0.000 0.542 70 A N 0.141 123.061 122.820 0.168 0.000 1.877 70 A HA -0.085 4.237 4.320 0.005 0.000 0.216 70 A C 2.225 180.062 177.584 0.422 0.000 1.186 70 A CA 1.445 53.676 52.037 0.323 0.000 0.620 70 A CB -0.790 18.475 19.000 0.442 0.000 0.822 70 A HN 0.589 nan 8.150 nan 0.000 0.443 71 W N 0.654 122.036 121.300 0.137 0.000 2.436 71 W HA -0.109 4.553 4.660 0.003 0.000 0.284 71 W C 1.789 178.372 176.519 0.106 0.000 1.225 71 W CA 1.322 58.739 57.345 0.120 0.000 1.271 71 W CB 0.014 29.524 29.460 0.084 0.000 1.114 71 W HN 0.535 nan 8.180 nan 0.000 0.559 72 E N 0.309 120.600 120.200 0.152 0.000 2.160 72 E HA -0.202 4.151 4.350 0.005 0.000 0.195 72 E C 2.221 178.817 176.600 -0.006 0.000 0.991 72 E CA 1.226 57.641 56.400 0.025 0.000 0.810 72 E CB -0.287 29.439 29.700 0.043 0.000 0.742 72 E HN 0.204 nan 8.360 nan 0.000 0.466 73 A N 0.955 123.801 122.820 0.044 0.000 2.119 73 A HA -0.057 4.266 4.320 0.005 0.000 0.217 73 A C 0.962 178.661 177.584 0.192 0.000 1.153 73 A CA 0.415 52.501 52.037 0.082 0.000 0.692 73 A CB -0.014 18.986 19.000 0.000 0.000 0.799 73 A HN 0.043 nan 8.150 nan 0.000 0.458 74 I N 1.186 121.790 120.570 0.057 0.000 2.337 74 I HA 0.243 4.416 4.170 0.005 0.000 0.291 74 I C -2.545 173.495 176.117 -0.129 0.000 1.046 74 I CA -3.119 58.178 61.300 -0.006 0.000 1.324 74 I CB 0.215 38.047 38.000 -0.280 0.000 1.409 74 I HN -0.052 nan 8.210 nan 0.000 0.494 75 P HA 0.039 nan 4.420 nan 0.000 0.268 75 P C 0.841 178.083 177.300 -0.098 0.000 1.208 75 P CA -0.099 62.960 63.100 -0.069 0.000 0.777 75 P CB 0.906 32.578 31.700 -0.047 0.000 0.875 76 E N 1.755 121.905 120.200 -0.084 0.000 2.110 76 E HA -0.191 4.162 4.350 0.005 0.000 0.193 76 E C 1.294 177.879 176.600 -0.025 0.000 0.988 76 E CA 1.434 57.789 56.400 -0.076 0.000 0.804 76 E CB -0.546 29.125 29.700 -0.048 0.000 0.745 76 E HN 0.621 nan 8.360 nan 0.000 0.458 77 D N 0.009 120.412 120.400 0.005 0.000 2.312 77 D HA -0.085 4.558 4.640 0.005 0.000 0.211 77 D C 1.780 178.172 176.300 0.154 0.000 0.964 77 D CA 0.472 54.508 54.000 0.061 0.000 0.877 77 D CB -0.143 40.678 40.800 0.035 0.000 0.924 77 D HN 0.071 nan 8.370 nan 0.000 0.515 78 V N 0.487 120.477 119.914 0.127 0.000 2.825 78 V HA -0.070 4.053 4.120 0.005 0.000 0.246 78 V C 2.484 178.709 176.094 0.218 0.000 1.068 78 V CA 0.544 62.997 62.300 0.255 0.000 1.088 78 V CB -0.293 31.640 31.823 0.184 0.000 0.733 78 V HN 0.056 nan 8.190 nan 0.000 0.468 79 K N 0.577 120.976 120.400 -0.000 0.000 2.089 79 K HA -0.207 4.115 4.320 0.005 0.000 0.210 79 K C -0.324 176.339 176.600 0.106 0.000 1.048 79 K CA 2.062 58.296 56.287 -0.088 0.000 0.926 79 K CB -1.299 31.031 32.500 -0.283 0.000 0.714 79 K HN 0.444 nan 8.250 nan 0.000 0.448 80 P HA -0.133 nan 4.420 nan 0.000 0.228 80 P C -0.023 177.032 177.300 -0.410 0.000 1.151 80 P CA 1.224 64.158 63.100 -0.277 0.000 0.770 80 P CB 0.060 31.418 31.700 -0.570 0.000 0.786 81 Y N -1.618 118.835 120.300 0.256 0.000 2.716 81 Y HA 0.610 5.163 4.550 0.005 0.000 0.260 81 Y C 0.746 176.852 175.900 0.343 0.000 1.141 81 Y CA -0.757 57.541 58.100 0.329 0.000 1.168 81 Y CB 0.060 38.762 38.460 0.403 0.000 1.189 81 Y HN -0.155 nan 8.280 nan 0.000 0.549 82 A N 0.448 123.499 122.820 0.385 0.000 2.515 82 A HA 0.993 5.316 4.320 0.005 0.000 0.296 82 A C -0.949 176.905 177.584 0.450 0.000 1.094 82 A CA -0.245 52.003 52.037 0.352 0.000 0.718 82 A CB 1.388 20.562 19.000 0.289 0.000 1.307 82 A HN 0.238 nan 8.150 nan 0.000 0.408 83 A N 0.355 123.404 122.820 0.381 0.000 2.610 83 A HA 0.692 5.015 4.320 0.005 0.000 0.291 83 A C -1.598 176.144 177.584 0.264 0.000 1.086 83 A CA -0.441 51.800 52.037 0.340 0.000 0.677 83 A CB 0.835 20.102 19.000 0.445 0.000 1.278 83 A HN 0.735 nan 8.150 nan 0.000 0.414 84 I N 1.515 122.201 120.570 0.194 0.000 2.354 84 I HA 0.349 4.522 4.170 0.005 0.000 0.292 84 I C 0.450 176.658 176.117 0.152 0.000 0.989 84 I CA -0.113 61.270 61.300 0.140 0.000 1.188 84 I CB 1.243 39.313 38.000 0.117 0.000 1.342 84 I HN 0.902 nan 8.210 nan 0.000 0.457 85 E N 7.119 127.384 120.200 0.107 0.000 2.259 85 E HA 0.423 4.775 4.350 0.005 0.000 0.281 85 E C -1.478 175.184 176.600 0.103 0.000 1.027 85 E CA -0.524 55.946 56.400 0.117 0.000 0.838 85 E CB 1.115 30.854 29.700 0.064 0.000 1.066 85 E HN 0.508 nan 8.360 nan 0.000 0.401 86 L N 5.159 126.474 121.223 0.152 0.000 2.295 86 L HA 0.260 4.602 4.340 0.005 0.000 0.281 86 L C -0.317 176.771 176.870 0.364 0.000 1.018 86 L CA -0.746 54.254 54.840 0.267 0.000 0.841 86 L CB 1.059 43.242 42.059 0.208 0.000 1.218 86 L HN 0.530 nan 8.230 nan 0.000 0.424 87 H N 5.957 125.122 119.070 0.159 0.000 2.504 87 H HA 0.317 4.876 4.556 0.004 0.000 0.322 87 H C -2.029 173.193 175.328 -0.178 0.000 1.055 87 H CA -2.288 53.774 56.048 0.023 0.000 1.231 87 H CB 2.248 31.927 29.762 -0.140 0.000 1.417 87 H HN 0.300 nan 8.280 nan 0.000 0.472 88 P HA -0.105 nan 4.420 nan 0.000 0.221 88 P C 0.841 177.709 177.300 -0.719 0.000 1.150 88 P CA 1.723 64.240 63.100 -0.972 0.000 0.800 88 P CB 0.459 31.725 31.700 -0.723 0.000 0.787 89 A N 1.003 123.647 122.820 -0.292 0.000 5.195 89 A HA -0.366 3.957 4.320 0.005 0.000 0.339 89 A C 1.695 178.779 177.584 -0.834 0.000 1.740 89 A CA 2.645 54.263 52.037 -0.699 0.000 0.704 89 A CB -2.315 16.248 19.000 -0.728 0.000 1.441 89 A HN 0.252 nan 8.150 nan 0.000 0.397 90 K N -0.195 119.643 120.400 -0.937 0.000 2.439 90 K HA 0.201 4.524 4.320 0.005 0.000 0.197 90 K C 1.619 177.888 176.600 -0.553 0.000 1.041 90 K CA 0.969 56.784 56.287 -0.787 0.000 0.970 90 K CB -0.199 31.852 32.500 -0.747 0.000 0.773 90 K HN 0.422 nan 8.250 nan 0.000 0.479 91 V N 1.378 120.931 119.914 -0.601 0.000 2.626 91 V HA -0.181 3.942 4.120 0.005 0.000 0.252 91 V C 1.157 177.002 176.094 -0.414 0.000 1.067 91 V CA 0.708 62.695 62.300 -0.522 0.000 1.081 91 V CB -0.562 30.791 31.823 -0.783 0.000 0.686 91 V HN 0.342 nan 8.190 nan 0.000 0.468 92 C N 2.016 121.063 119.300 -0.422 0.000 2.644 92 C HA 0.405 4.868 4.460 0.005 0.000 0.417 92 C C 0.434 175.272 174.990 -0.253 0.000 1.304 92 C CA -0.673 58.160 59.018 -0.308 0.000 2.035 92 C CB -0.636 26.943 27.740 -0.268 0.000 2.673 92 C HN 0.331 nan 8.230 nan 0.000 0.602 93 K N 3.254 123.540 120.400 -0.190 0.000 2.501 93 K HA 0.358 4.681 4.320 0.005 0.000 0.252 93 K C -2.018 174.515 176.600 -0.111 0.000 0.934 93 K CA -1.533 54.665 56.287 -0.148 0.000 0.797 93 K CB 1.877 34.297 32.500 -0.133 0.000 1.270 93 K HN 0.285 nan 8.250 nan 0.000 0.431 94 P HA 0.004 nan 4.420 nan 0.000 0.236 94 P C -0.282 176.959 177.300 -0.098 0.000 1.177 94 P CA 0.394 63.442 63.100 -0.086 0.000 0.773 94 P CB 0.436 32.102 31.700 -0.058 0.000 0.878 95 T N 0.003 114.495 114.554 -0.103 0.000 2.792 95 T HA 0.249 4.602 4.350 0.005 0.000 0.280 95 T C -0.142 174.451 174.700 -0.179 0.000 0.990 95 T CA -0.350 61.686 62.100 -0.107 0.000 0.960 95 T CB 1.380 70.222 68.868 -0.043 0.000 0.939 95 T HN -0.101 nan 8.240 nan 0.000 0.439 96 S N 1.330 116.868 115.700 -0.269 0.000 2.563 96 S HA 0.013 4.486 4.470 0.005 0.000 0.294 96 S C 1.201 175.581 174.600 -0.367 0.000 1.279 96 S CA 0.244 58.158 58.200 -0.476 0.000 1.069 96 S CB -0.809 61.916 63.200 -0.791 0.000 0.828 96 S HN 1.057 nan 8.310 nan 0.000 0.497 97 C N 2.874 121.950 119.300 -0.375 0.000 4.933 97 C HA -0.183 4.280 4.460 0.005 0.000 0.249 97 C C 0.377 175.397 174.990 0.050 0.000 1.406 97 C CA 0.323 59.278 59.018 -0.104 0.000 1.505 97 C CB -2.683 25.000 27.740 -0.095 0.000 1.870 97 C HN 0.824 nan 8.230 nan 0.000 0.651 98 I N 2.383 122.925 120.570 -0.046 0.000 2.307 98 I HA 0.254 4.427 4.170 0.005 0.000 0.287 98 I C -1.714 174.363 176.117 -0.066 0.000 1.054 98 I CA -1.383 59.900 61.300 -0.029 0.000 1.218 98 I CB 1.054 39.041 38.000 -0.023 0.000 1.398 98 I HN 0.044 nan 8.210 nan 0.000 0.475 99 P HA 0.099 nan 4.420 nan 0.000 0.220 99 P C -0.034 177.228 177.300 -0.063 0.000 1.806 99 P CA -0.368 62.690 63.100 -0.071 0.000 0.976 99 P CB -0.097 31.585 31.700 -0.030 0.000 1.952 100 R N 1.847 122.300 120.500 -0.078 0.000 2.522 100 R HA 0.022 4.365 4.340 0.005 0.000 0.284 100 R C 0.040 176.283 176.300 -0.095 0.000 1.032 100 R CA -0.190 55.868 56.100 -0.071 0.000 1.049 100 R CB 0.014 30.272 30.300 -0.071 0.000 0.956 100 R HN 0.113 nan 8.270 nan 0.000 0.422 101 D N 2.961 123.309 120.400 -0.087 0.000 2.451 101 D HA -0.019 4.624 4.640 0.005 0.000 0.254 101 D C -0.689 175.539 176.300 -0.121 0.000 1.204 101 D CA 0.790 54.716 54.000 -0.123 0.000 0.896 101 D CB 0.624 41.354 40.800 -0.117 0.000 1.136 101 D HN 0.602 nan 8.370 nan 0.000 0.499 102 T N 0.122 114.589 114.554 -0.144 0.000 2.864 102 T HA 0.284 4.637 4.350 0.005 0.000 0.299 102 T C 0.946 175.575 174.700 -0.118 0.000 1.166 102 T CA -0.981 61.048 62.100 -0.118 0.000 1.007 102 T CB 1.643 70.442 68.868 -0.115 0.000 1.219 102 T HN 0.290 nan 8.240 nan 0.000 0.506 103 K N 0.253 120.606 120.400 -0.080 0.000 2.063 103 K HA -0.196 4.127 4.320 0.005 0.000 0.208 103 K C 1.558 178.129 176.600 -0.047 0.000 1.048 103 K CA 2.067 58.323 56.287 -0.052 0.000 0.928 103 K CB -0.200 32.282 32.500 -0.029 0.000 0.713 103 K HN 0.660 nan 8.250 nan 0.000 0.442 104 E N 0.850 121.012 120.200 -0.064 0.000 2.106 104 E HA -0.160 4.193 4.350 0.005 0.000 0.192 104 E C 1.768 178.318 176.600 -0.083 0.000 0.984 104 E CA 0.761 57.127 56.400 -0.057 0.000 0.806 104 E CB -0.206 29.447 29.700 -0.079 0.000 0.750 104 E HN 0.201 nan 8.360 nan 0.000 0.458 105 L N 0.990 122.112 121.223 -0.167 0.000 1.989 105 L HA -0.170 4.173 4.340 0.005 0.000 0.211 105 L C 1.974 178.682 176.870 -0.270 0.000 1.071 105 L CA 1.853 56.514 54.840 -0.299 0.000 0.749 105 L CB -0.184 41.676 42.059 -0.331 0.000 0.890 105 L HN -0.035 nan 8.230 nan 0.000 0.431 106 R N -0.596 119.814 120.500 -0.150 0.000 2.081 106 R HA -0.167 4.176 4.340 0.005 0.000 0.235 106 R C 2.199 178.610 176.300 0.186 0.000 1.131 106 R CA 1.638 57.741 56.100 0.004 0.000 0.960 106 R CB -0.414 29.821 30.300 -0.109 0.000 0.856 106 R HN 0.512 nan 8.270 nan 0.000 0.436 107 E N -0.349 119.911 120.200 0.100 0.000 2.085 107 E HA -0.244 4.109 4.350 0.005 0.000 0.194 107 E C 1.600 178.273 176.600 0.121 0.000 0.994 107 E CA 1.354 57.820 56.400 0.110 0.000 0.801 107 E CB -0.144 29.599 29.700 0.071 0.000 0.743 107 E HN 0.376 nan 8.360 nan 0.000 0.453 108 W N 0.139 121.387 121.300 -0.086 0.000 2.379 108 W HA -0.236 4.428 4.660 0.006 0.000 0.307 108 W C 1.689 178.190 176.519 -0.031 0.000 1.200 108 W CA 1.435 58.716 57.345 -0.107 0.000 1.297 108 W CB -0.378 28.950 29.460 -0.220 0.000 1.140 108 W HN 0.094 nan 8.180 nan 0.000 0.507 109 Y N 0.016 120.442 120.300 0.209 0.000 2.114 109 Y HA -0.281 4.272 4.550 0.004 0.000 0.282 109 Y C 2.531 178.348 175.900 -0.139 0.000 1.165 109 Y CA 1.855 59.984 58.100 0.049 0.000 1.148 109 Y CB -1.485 37.169 38.460 0.325 0.000 0.972 109 Y HN -0.201 nan 8.280 nan 0.000 0.504 110 V N 0.229 120.237 119.914 0.156 0.000 2.307 110 V HA -0.294 3.829 4.120 0.005 0.000 0.245 110 V C 2.432 178.452 176.094 -0.124 0.000 1.045 110 V CA 2.071 64.378 62.300 0.012 0.000 1.024 110 V CB -0.642 31.270 31.823 0.148 0.000 0.651 110 V HN 0.336 nan 8.190 nan 0.000 0.449 111 K N -0.375 119.949 120.400 -0.127 0.000 2.020 111 K HA -0.250 4.073 4.320 0.005 0.000 0.212 111 K C 2.194 178.617 176.600 -0.296 0.000 1.050 111 K CA 1.944 58.120 56.287 -0.186 0.000 0.929 111 K CB -0.164 32.224 32.500 -0.186 0.000 0.714 111 K HN 0.243 nan 8.250 nan 0.000 0.443 112 M N 0.755 120.069 119.600 -0.476 0.000 2.175 112 M HA -0.083 4.400 4.480 0.005 0.000 0.264 112 M C 2.249 178.310 176.300 -0.399 0.000 1.063 112 M CA 1.217 56.216 55.300 -0.502 0.000 1.119 112 M CB -0.824 31.294 32.600 -0.804 0.000 1.377 112 M HN 0.193 nan 8.290 nan 0.000 0.415 113 L N -0.218 120.724 121.223 -0.468 0.000 2.046 113 L HA -0.206 4.137 4.340 0.005 0.000 0.208 113 L C 2.629 179.158 176.870 -0.567 0.000 1.077 113 L CA 1.093 55.514 54.840 -0.698 0.000 0.747 113 L CB -0.581 40.730 42.059 -1.248 0.000 0.896 113 L HN 0.279 nan 8.230 nan 0.000 0.432 114 E N -0.040 119.945 120.200 -0.357 0.000 2.058 114 E HA -0.290 4.063 4.350 0.005 0.000 0.194 114 E C 2.015 178.559 176.600 -0.093 0.000 0.997 114 E CA 1.417 57.761 56.400 -0.093 0.000 0.801 114 E CB -0.105 29.577 29.700 -0.030 0.000 0.746 114 E HN 0.518 nan 8.360 nan 0.000 0.450 115 E N 0.334 120.451 120.200 -0.138 0.000 2.047 115 E HA -0.144 4.209 4.350 0.005 0.000 0.191 115 E C 2.029 178.559 176.600 -0.116 0.000 0.987 115 E CA 0.959 57.295 56.400 -0.107 0.000 0.799 115 E CB -0.023 29.608 29.700 -0.116 0.000 0.752 115 E HN 0.173 nan 8.360 nan 0.000 0.449 116 A N 0.722 123.439 122.820 -0.171 0.000 1.902 116 A HA -0.265 4.058 4.320 0.005 0.000 0.217 116 A C 2.115 179.609 177.584 -0.150 0.000 1.181 116 A CA 1.851 53.776 52.037 -0.185 0.000 0.623 116 A CB -0.653 18.207 19.000 -0.234 0.000 0.818 116 A HN 0.292 nan 8.150 nan 0.000 0.443 117 Q N 0.707 120.441 119.800 -0.110 0.000 2.084 117 Q HA -0.150 4.193 4.340 0.005 0.000 0.202 117 Q C 2.237 178.222 176.000 -0.025 0.000 0.978 117 Q CA 2.477 58.265 55.803 -0.024 0.000 0.844 117 Q CB -0.466 28.344 28.738 0.119 0.000 0.898 117 Q HN 0.759 nan 8.270 nan 0.000 0.426 118 S N -0.844 114.841 115.700 -0.026 0.000 2.419 118 S HA -0.101 4.372 4.470 0.005 0.000 0.233 118 S C 1.567 176.155 174.600 -0.021 0.000 1.016 118 S CA 1.149 59.339 58.200 -0.017 0.000 0.974 118 S CB -0.284 62.909 63.200 -0.013 0.000 0.786 118 S HN 0.468 nan 8.310 nan 0.000 0.492 119 L N 0.953 122.149 121.223 -0.045 0.000 2.640 119 L HA 0.309 4.652 4.340 0.005 0.000 0.230 119 L C 0.482 177.307 176.870 -0.075 0.000 1.123 119 L CA -0.189 54.628 54.840 -0.039 0.000 0.900 119 L CB -0.612 41.424 42.059 -0.038 0.000 1.146 119 L HN 0.256 nan 8.230 nan 0.000 0.484 120 N N 1.570 120.212 118.700 -0.096 0.000 2.727 120 N HA -0.186 4.557 4.740 0.005 0.000 0.249 120 N C -0.293 175.047 175.510 -0.283 0.000 1.048 120 N CA 0.722 53.698 53.050 -0.123 0.000 0.714 120 N CB -0.785 37.677 38.487 -0.042 0.000 0.959 120 N HN 0.331 nan 8.380 nan 0.000 0.544 121 I N 1.688 122.010 120.570 -0.412 0.000 2.315 121 I HA 0.235 4.408 4.170 0.005 0.000 0.291 121 I C -1.849 173.929 176.117 -0.564 0.000 1.006 121 I CA -1.770 59.047 61.300 -0.805 0.000 1.265 121 I CB 1.435 39.009 38.000 -0.711 0.000 1.387 121 I HN -0.138 nan 8.210 nan 0.000 0.475 122 P HA 0.114 nan 4.420 nan 0.000 0.271 122 P C -0.744 176.435 177.300 -0.202 0.000 1.220 122 P CA -0.002 62.925 63.100 -0.289 0.000 0.768 122 P CB 1.091 32.703 31.700 -0.148 0.000 0.848 123 V N 1.145 120.949 119.914 -0.183 0.000 2.962 123 V HA 0.700 4.823 4.120 0.005 0.000 0.313 123 V C -1.089 174.900 176.094 -0.175 0.000 1.099 123 V CA -1.087 61.159 62.300 -0.090 0.000 0.971 123 V CB 1.990 33.733 31.823 -0.132 0.000 1.028 123 V HN 0.230 nan 8.190 nan 0.000 0.430 124 F N 2.099 122.031 119.950 -0.029 0.000 2.520 124 F HA 0.732 5.262 4.527 0.005 0.000 0.322 124 F C -0.161 175.612 175.800 -0.045 0.000 1.103 124 F CA -0.772 57.214 58.000 -0.022 0.000 0.926 124 F CB 2.173 41.181 39.000 0.014 0.000 1.154 124 F HN 0.379 nan 8.300 nan 0.000 0.453 125 L N 3.838 125.091 121.223 0.049 0.000 2.295 125 L HA 0.498 4.840 4.340 0.005 0.000 0.285 125 L C -0.603 176.248 176.870 -0.033 0.000 1.035 125 L CA -1.150 53.682 54.840 -0.014 0.000 0.806 125 L CB 1.477 43.379 42.059 -0.263 0.000 1.214 125 L HN 0.276 nan 8.230 nan 0.000 0.426 126 V N 4.997 124.910 119.914 -0.002 0.000 2.387 126 V HA 0.051 4.174 4.120 0.005 0.000 0.260 126 V C 1.050 177.084 176.094 -0.100 0.000 1.054 126 V CA 0.111 62.327 62.300 -0.141 0.000 0.967 126 V CB 0.702 32.278 31.823 -0.412 0.000 1.036 126 V HN 0.756 nan 8.190 nan 0.000 0.481 127 I N 1.249 121.715 120.570 -0.172 0.000 4.139 127 I HA 0.462 4.635 4.170 0.005 0.000 0.335 127 I C 0.403 176.442 176.117 -0.130 0.000 1.327 127 I CA 0.379 61.581 61.300 -0.163 0.000 1.112 127 I CB 0.383 38.170 38.000 -0.353 0.000 1.058 127 I HN 0.403 nan 8.210 nan 0.000 0.396 128 M N 0.961 120.479 119.600 -0.137 0.000 2.386 128 M HA 0.546 5.029 4.480 0.005 0.000 0.293 128 M C -0.830 175.414 176.300 -0.094 0.000 1.120 128 M CA -0.377 54.874 55.300 -0.082 0.000 0.909 128 M CB 2.528 35.092 32.600 -0.061 0.000 1.661 128 M HN 0.108 nan 8.290 nan 0.000 0.452 129 S N 1.242 116.907 115.700 -0.059 0.000 2.565 129 S HA 0.689 5.162 4.470 0.005 0.000 0.274 129 S C -0.761 173.802 174.600 -0.062 0.000 1.144 129 S CA 0.219 58.399 58.200 -0.034 0.000 0.849 129 S CB 1.677 64.896 63.200 0.032 0.000 1.103 129 S HN 1.432 nan 8.310 nan 0.000 0.455 130 A N 1.489 124.240 122.820 -0.115 0.000 2.640 130 A HA 0.136 4.459 4.320 0.005 0.000 0.300 130 A C 1.736 179.127 177.584 -0.322 0.000 1.499 130 A CA 1.814 53.685 52.037 -0.278 0.000 0.759 130 A CB -2.277 16.702 19.000 -0.035 0.000 1.048 130 A HN 2.786 nan 8.150 nan 0.000 0.450 131 G N -1.748 106.897 108.800 -0.258 0.000 2.184 131 G HA2 -0.161 3.802 3.960 0.005 0.000 0.264 131 G HA3 -0.161 3.802 3.960 0.005 0.000 0.264 131 G C -0.015 174.804 174.900 -0.135 0.000 0.975 131 G CA 1.224 46.195 45.100 -0.216 0.000 0.642 131 G HN 2.027 nan 8.290 nan 0.000 0.536 132 E N 0.426 120.571 120.200 -0.091 0.000 2.417 132 E HA 0.458 4.811 4.350 0.005 0.000 0.261 132 E C 1.535 178.139 176.600 0.006 0.000 1.000 132 E CA 0.081 56.456 56.400 -0.042 0.000 0.919 132 E CB 0.240 29.924 29.700 -0.028 0.000 0.955 132 E HN 0.482 nan 8.360 nan 0.000 0.455 133 R N 2.994 123.505 120.500 0.018 0.000 2.189 133 R HA 0.146 4.489 4.340 0.005 0.000 0.203 133 R C 0.075 176.464 176.300 0.149 0.000 1.012 133 R CA 0.561 56.717 56.100 0.094 0.000 1.015 133 R CB 0.189 30.509 30.300 0.034 0.000 0.938 133 R HN 0.453 nan 8.270 nan 0.000 0.472 134 N N 1.409 120.144 118.700 0.058 0.000 3.228 134 N HA 0.057 4.800 4.740 0.005 0.000 0.289 134 N C -0.874 174.640 175.510 0.007 0.000 1.419 134 N CA -0.273 52.790 53.050 0.022 0.000 1.088 134 N CB 1.138 39.623 38.487 -0.003 0.000 1.357 134 N HN 0.124 nan 8.380 nan 0.000 0.504 135 T N -2.747 111.831 114.554 0.040 0.000 2.862 135 T HA 0.388 4.741 4.350 0.005 0.000 0.276 135 T C 0.832 175.558 174.700 0.044 0.000 0.974 135 T CA -0.987 61.147 62.100 0.056 0.000 0.966 135 T CB 0.784 69.743 68.868 0.152 0.000 1.072 135 T HN 0.018 nan 8.240 nan 0.000 0.538 136 V N -1.291 118.631 119.914 0.013 0.000 2.788 136 V HA 0.316 4.439 4.120 0.005 0.000 0.307 136 V C -2.592 173.588 176.094 0.142 0.000 1.069 136 V CA -1.690 60.569 62.300 -0.068 0.000 1.173 136 V CB -0.985 30.629 31.823 -0.347 0.000 0.925 136 V HN 0.724 nan 8.190 nan 0.000 0.492 137 P HA 0.235 nan 4.420 nan 0.000 0.268 137 P C -2.167 175.302 177.300 0.282 0.000 1.205 137 P CA -1.301 61.886 63.100 0.144 0.000 0.771 137 P CB 0.041 31.813 31.700 0.119 0.000 0.858 138 P HA -0.199 nan 4.420 nan 0.000 0.216 138 P C 1.079 178.506 177.300 0.212 0.000 1.150 138 P CA 1.527 64.763 63.100 0.226 0.000 0.843 138 P CB 0.005 31.716 31.700 0.019 0.000 0.787 139 E N -1.654 118.641 120.200 0.158 0.000 2.118 139 E HA -0.204 4.149 4.350 0.005 0.000 0.195 139 E C 1.754 178.449 176.600 0.158 0.000 0.992 139 E CA 1.098 57.581 56.400 0.138 0.000 0.804 139 E CB -1.095 28.670 29.700 0.108 0.000 0.741 139 E HN 0.382 nan 8.360 nan 0.000 0.458 140 W N 0.567 121.883 121.300 0.027 0.000 2.358 140 W HA -0.149 4.513 4.660 0.004 0.000 0.303 140 W C 1.892 178.380 176.519 -0.051 0.000 1.208 140 W CA 1.058 58.403 57.345 0.000 0.000 1.274 140 W CB -0.252 29.215 29.460 0.012 0.000 1.138 140 W HN 0.167 nan 8.180 nan 0.000 0.515 141 L N 1.240 122.566 121.223 0.173 0.000 2.046 141 L HA -0.211 4.132 4.340 0.005 0.000 0.208 141 L C 2.250 178.930 176.870 -0.316 0.000 1.077 141 L CA 2.681 57.412 54.840 -0.182 0.000 0.747 141 L CB -1.374 40.721 42.059 0.061 0.000 0.896 141 L HN 0.089 nan 8.230 nan 0.000 0.432 142 D N -0.339 120.049 120.400 -0.021 0.000 2.116 142 D HA -0.266 4.377 4.640 0.005 0.000 0.193 142 D C 1.882 178.059 176.300 -0.205 0.000 0.998 142 D CA 1.820 55.848 54.000 0.046 0.000 0.836 142 D CB 0.077 40.993 40.800 0.194 0.000 0.951 142 D HN 0.594 nan 8.370 nan 0.000 0.449 143 E N -0.474 119.590 120.200 -0.226 0.000 2.085 143 E HA -0.199 4.154 4.350 0.005 0.000 0.194 143 E C 2.333 178.686 176.600 -0.411 0.000 0.994 143 E CA 0.867 57.096 56.400 -0.284 0.000 0.801 143 E CB 0.032 29.568 29.700 -0.274 0.000 0.743 143 E HN 0.322 nan 8.360 nan 0.000 0.453 144 Q N -0.139 119.300 119.800 -0.602 0.000 2.119 144 Q HA -0.122 4.221 4.340 0.005 0.000 0.201 144 Q C 2.033 177.801 176.000 -0.387 0.000 0.972 144 Q CA 1.127 56.608 55.803 -0.536 0.000 0.847 144 Q CB -0.442 27.782 28.738 -0.857 0.000 0.903 144 Q HN 0.297 nan 8.270 nan 0.000 0.433 145 F N 1.728 121.372 119.950 -0.510 0.000 2.171 145 F HA -0.154 4.376 4.527 0.005 0.000 0.300 145 F C 2.426 177.868 175.800 -0.596 0.000 1.090 145 F CA 1.099 58.721 58.000 -0.630 0.000 1.293 145 F CB -0.494 37.827 39.000 -1.133 0.000 1.013 145 F HN 0.175 nan 8.300 nan 0.000 0.486 146 Q N -0.197 119.355 119.800 -0.413 0.000 2.084 146 Q HA -0.235 4.108 4.340 0.005 0.000 0.202 146 Q C 2.203 178.076 176.000 -0.212 0.000 0.978 146 Q CA 1.725 57.402 55.803 -0.210 0.000 0.844 146 Q CB -0.218 28.442 28.738 -0.131 0.000 0.898 146 Q HN 0.366 nan 8.270 nan 0.000 0.426 147 K N -0.498 119.702 120.400 -0.334 0.000 2.186 147 K HA -0.038 4.285 4.320 0.005 0.000 0.202 147 K C -0.418 175.801 176.600 -0.635 0.000 1.052 147 K CA 0.535 56.496 56.287 -0.543 0.000 0.965 147 K CB 0.428 32.446 32.500 -0.804 0.000 0.746 147 K HN 0.015 nan 8.250 nan 0.000 0.457 148 Y N 0.683 120.884 120.300 -0.165 0.000 2.388 148 Y HA 0.139 4.691 4.550 0.003 0.000 0.328 148 Y C 0.962 176.797 175.900 -0.108 0.000 0.963 148 Y CA -0.879 57.132 58.100 -0.149 0.000 1.240 148 Y CB 1.765 40.105 38.460 -0.200 0.000 1.118 148 Y HN 0.053 nan 8.280 nan 0.000 0.484 149 S N -0.030 115.690 115.700 0.032 0.000 2.423 149 S HA -0.156 4.317 4.470 0.005 0.000 0.231 149 S C 1.685 176.284 174.600 -0.002 0.000 1.014 149 S CA 1.226 59.433 58.200 0.012 0.000 0.965 149 S CB -0.787 62.410 63.200 -0.006 0.000 0.785 149 S HN 0.587 nan 8.310 nan 0.000 0.495 150 V N -1.028 118.879 119.914 -0.011 0.000 3.141 150 V HA 0.304 4.427 4.120 0.005 0.000 0.265 150 V C 0.934 176.949 176.094 -0.132 0.000 1.126 150 V CA 0.158 62.404 62.300 -0.088 0.000 1.141 150 V CB -1.176 30.568 31.823 -0.131 0.000 0.743 150 V HN 0.445 nan 8.190 nan 0.000 0.492 151 L N 2.231 123.401 121.223 -0.089 0.000 2.407 151 L HA 0.387 4.730 4.340 0.005 0.000 0.282 151 L C 1.071 177.893 176.870 -0.080 0.000 1.110 151 L CA 0.357 55.107 54.840 -0.150 0.000 0.863 151 L CB 0.305 42.250 42.059 -0.190 0.000 1.207 151 L HN 0.057 nan 8.230 nan 0.000 0.454 152 K N 3.735 123.921 120.400 -0.357 0.000 2.361 152 K HA 0.508 4.831 4.320 0.005 0.000 0.194 152 K C 0.653 176.957 176.600 -0.494 0.000 1.032 152 K CA 0.584 56.583 56.287 -0.479 0.000 1.048 152 K CB 0.537 32.584 32.500 -0.755 0.000 0.842 152 K HN 0.806 nan 8.250 nan 0.000 0.526 153 G N 0.168 108.746 108.800 -0.371 0.000 2.345 153 G HA2 0.237 4.200 3.960 0.005 0.000 0.285 153 G HA3 0.237 4.200 3.960 0.005 0.000 0.285 153 G C -1.602 173.402 174.900 0.174 0.000 1.297 153 G CA -0.323 44.859 45.100 0.137 0.000 0.875 153 G HN 0.077 nan 8.290 nan 0.000 0.506 154 V N -2.493 117.615 119.914 0.323 0.000 3.159 154 V HA 0.950 5.073 4.120 0.005 0.000 0.308 154 V C -0.928 175.121 176.094 -0.074 0.000 1.190 154 V CA -1.197 61.153 62.300 0.083 0.000 1.037 154 V CB 1.706 33.486 31.823 -0.072 0.000 1.060 154 V HN 1.008 nan 8.190 nan 0.000 0.437 155 L N 2.239 123.349 121.223 -0.188 0.000 2.381 155 L HA 0.654 4.997 4.340 0.005 0.000 0.268 155 L C -0.546 176.112 176.870 -0.354 0.000 0.997 155 L CA -0.358 54.318 54.840 -0.274 0.000 0.818 155 L CB 2.000 44.020 42.059 -0.066 0.000 1.310 155 L HN 0.843 nan 8.230 nan 0.000 0.416 156 N N 3.269 121.713 118.700 -0.428 0.000 2.392 156 N HA 0.619 5.362 4.740 0.005 0.000 0.283 156 N C -1.497 173.982 175.510 -0.053 0.000 1.003 156 N CA -0.270 52.582 53.050 -0.329 0.000 0.892 156 N CB 1.166 39.270 38.487 -0.637 0.000 1.193 156 N HN 0.501 nan 8.380 nan 0.000 0.487 157 I N 1.888 122.480 120.570 0.035 0.000 2.478 157 I HA 0.274 4.447 4.170 0.005 0.000 0.287 157 I C -0.449 175.758 176.117 0.149 0.000 1.042 157 I CA -0.675 60.747 61.300 0.204 0.000 1.067 157 I CB 1.539 39.663 38.000 0.207 0.000 1.233 157 I HN 0.646 nan 8.210 nan 0.000 0.431 158 E N 5.714 126.016 120.200 0.170 0.000 7.068 158 E HA -0.155 4.198 4.350 0.005 0.000 0.216 158 E C -0.994 175.449 176.600 -0.263 0.000 1.080 158 E CA 0.158 56.534 56.400 -0.039 0.000 1.549 158 E CB -0.158 29.577 29.700 0.059 0.000 0.929 158 E HN 0.880 nan 8.360 nan 0.000 0.281 159 N N 2.624 121.030 118.700 -0.489 0.000 2.036 159 N HA -0.009 4.734 4.740 0.005 0.000 0.228 159 N C 0.775 175.988 175.510 -0.494 0.000 1.368 159 N CA 0.579 53.356 53.050 -0.455 0.000 0.846 159 N CB 0.164 38.675 38.487 0.039 0.000 1.145 159 N HN 0.507 nan 8.380 nan 0.000 0.502 160 Y N 0.563 120.618 120.300 -0.407 0.000 2.333 160 Y HA -0.038 4.515 4.550 0.005 0.000 0.290 160 Y C 2.058 178.163 175.900 0.342 0.000 1.144 160 Y CA 0.454 58.433 58.100 -0.201 0.000 1.228 160 Y CB -1.028 37.297 38.460 -0.225 0.000 0.985 160 Y HN 0.195 nan 8.280 nan 0.000 0.542 161 W N 0.317 121.678 121.300 0.101 0.000 3.278 161 W HA 0.415 5.078 4.660 0.004 0.000 0.308 161 W C 0.091 176.715 176.519 0.176 0.000 1.253 161 W CA -0.266 57.208 57.345 0.216 0.000 1.759 161 W CB -0.321 29.227 29.460 0.147 0.000 1.093 161 W HN 0.241 nan 8.180 nan 0.000 0.648 162 I N 0.983 121.410 120.570 -0.239 0.000 2.788 162 I HA 0.178 4.351 4.170 0.005 0.000 0.322 162 I C -0.945 175.114 176.117 -0.098 0.000 1.494 162 I CA -0.783 60.313 61.300 -0.340 0.000 0.814 162 I CB -0.104 37.261 38.000 -1.059 0.000 1.795 162 I HN -0.177 nan 8.210 nan 0.000 0.607 163 Y N 3.303 123.649 120.300 0.078 0.000 2.480 163 Y HA 0.382 4.935 4.550 0.005 0.000 0.338 163 Y C 0.119 176.066 175.900 0.077 0.000 1.220 163 Y CA 0.437 58.645 58.100 0.180 0.000 1.430 163 Y CB 0.554 39.255 38.460 0.403 0.000 1.311 163 Y HN 0.634 nan 8.280 nan 0.000 0.575 164 N N 1.218 119.393 118.700 -0.875 0.000 2.732 164 N HA 0.193 4.936 4.740 0.005 0.000 0.259 164 N C -0.848 174.079 175.510 -0.971 0.000 1.402 164 N CA -0.694 51.922 53.050 -0.723 0.000 0.829 164 N CB 0.420 38.708 38.487 -0.332 0.000 1.495 164 N HN 0.458 nan 8.380 nan 0.000 0.511 165 N N -0.605 117.799 118.700 -0.494 0.000 2.521 165 N HA -0.082 4.661 4.740 0.005 0.000 0.188 165 N C 0.305 175.666 175.510 -0.248 0.000 1.146 165 N CA 0.771 53.650 53.050 -0.285 0.000 0.893 165 N CB -0.115 38.320 38.487 -0.086 0.000 0.975 165 N HN 0.704 nan 8.380 nan 0.000 0.451 166 Q N -0.147 119.444 119.800 -0.349 0.000 2.398 166 Q HA 0.218 4.561 4.340 0.005 0.000 0.204 166 Q C 1.640 177.315 176.000 -0.541 0.000 0.932 166 Q CA 0.243 55.740 55.803 -0.510 0.000 0.916 166 Q CB 0.155 28.500 28.738 -0.655 0.000 1.024 166 Q HN 0.416 nan 8.270 nan 0.000 0.504 167 L N 0.179 121.205 121.223 -0.327 0.000 2.056 167 L HA -0.149 4.194 4.340 0.005 0.000 0.207 167 L C 2.486 179.316 176.870 -0.067 0.000 1.078 167 L CA 1.133 55.870 54.840 -0.171 0.000 0.749 167 L CB -0.590 41.437 42.059 -0.054 0.000 0.901 167 L HN 0.195 nan 8.230 nan 0.000 0.433 168 A N 0.507 123.358 122.820 0.052 0.000 1.855 168 A HA -0.065 4.258 4.320 0.005 0.000 0.215 168 A C -0.064 177.629 177.584 0.182 0.000 1.191 168 A CA 1.345 53.470 52.037 0.147 0.000 0.613 168 A CB -1.761 17.357 19.000 0.196 0.000 0.829 168 A HN 0.267 nan 8.150 nan 0.000 0.442 169 P HA -0.144 nan 4.420 nan 0.000 0.217 169 P C 0.976 178.369 177.300 0.154 0.000 1.150 169 P CA 1.506 64.688 63.100 0.137 0.000 0.832 169 P CB -0.328 31.418 31.700 0.076 0.000 0.787 170 H N -1.137 117.908 119.070 -0.043 0.000 2.357 170 H HA -0.024 4.535 4.556 0.005 0.000 0.301 170 H C 2.069 177.303 175.328 -0.156 0.000 1.082 170 H CA 0.971 56.927 56.048 -0.153 0.000 1.342 170 H CB -0.159 29.539 29.762 -0.106 0.000 1.389 170 H HN 0.100 nan 8.280 nan 0.000 0.511 171 S N 0.583 116.324 115.700 0.069 0.000 2.368 171 S HA -0.188 4.285 4.470 0.005 0.000 0.225 171 S C 2.461 176.992 174.600 -0.114 0.000 1.030 171 S CA 0.817 58.953 58.200 -0.105 0.000 0.999 171 S CB -0.248 62.776 63.200 -0.294 0.000 0.844 171 S HN 0.512 nan 8.310 nan 0.000 0.459 172 A N 1.569 124.518 122.820 0.216 0.000 1.908 172 A HA -0.168 4.155 4.320 0.005 0.000 0.218 172 A C 2.025 179.614 177.584 0.009 0.000 1.181 172 A CA 2.073 54.215 52.037 0.175 0.000 0.627 172 A CB -0.510 18.634 19.000 0.241 0.000 0.818 172 A HN 0.386 nan 8.150 nan 0.000 0.445 173 K N -1.177 119.192 120.400 -0.052 0.000 2.057 173 K HA -0.108 4.215 4.320 0.005 0.000 0.206 173 K C 1.641 178.179 176.600 -0.104 0.000 1.050 173 K CA 1.548 57.764 56.287 -0.119 0.000 0.935 173 K CB -0.581 31.785 32.500 -0.223 0.000 0.715 173 K HN 0.478 nan 8.250 nan 0.000 0.439 174 Y N 0.301 120.575 120.300 -0.044 0.000 2.242 174 Y HA -0.106 4.447 4.550 0.005 0.000 0.291 174 Y C 1.938 177.829 175.900 -0.015 0.000 1.137 174 Y CA 1.001 59.117 58.100 0.027 0.000 1.181 174 Y CB -0.694 37.862 38.460 0.161 0.000 0.989 174 Y HN 0.075 nan 8.280 nan 0.000 0.527 175 L N 0.699 121.863 121.223 -0.098 0.000 2.042 175 L HA -0.218 4.125 4.340 0.005 0.000 0.210 175 L C 2.278 179.023 176.870 -0.208 0.000 1.076 175 L CA 2.104 56.891 54.840 -0.088 0.000 0.749 175 L CB -0.905 41.077 42.059 -0.127 0.000 0.893 175 L HN 0.340 nan 8.230 nan 0.000 0.432 176 E N -0.931 119.092 120.200 -0.296 0.000 2.085 176 E HA -0.208 4.145 4.350 0.005 0.000 0.194 176 E C 2.025 178.428 176.600 -0.328 0.000 0.994 176 E CA 1.912 57.965 56.400 -0.578 0.000 0.801 176 E CB -0.079 29.460 29.700 -0.268 0.000 0.743 176 E HN 0.422 nan 8.360 nan 0.000 0.453 177 V N 0.619 120.501 119.914 -0.054 0.000 2.343 177 V HA -0.345 3.778 4.120 0.005 0.000 0.247 177 V C 2.603 178.754 176.094 0.095 0.000 1.051 177 V CA 1.704 64.079 62.300 0.125 0.000 1.036 177 V CB -0.617 31.406 31.823 0.333 0.000 0.654 177 V HN 0.549 nan 8.190 nan 0.000 0.451 178 C N 0.408 119.760 119.300 0.086 0.000 2.413 178 C HA -0.164 4.299 4.460 0.005 0.000 0.276 178 C C 3.118 177.960 174.990 -0.247 0.000 1.248 178 C CA 0.970 59.943 59.018 -0.076 0.000 1.742 178 C CB -1.409 26.415 27.740 0.140 0.000 2.017 178 C HN 0.642 nan 8.230 nan 0.000 0.481 179 A N 0.128 122.773 122.820 -0.291 0.000 1.972 179 A HA -0.228 4.094 4.320 0.005 0.000 0.219 179 A C 2.191 179.585 177.584 -0.316 0.000 1.169 179 A CA 1.981 53.819 52.037 -0.331 0.000 0.635 179 A CB -0.589 18.076 19.000 -0.558 0.000 0.810 179 A HN 0.721 nan 8.150 nan 0.000 0.446 180 K N -1.900 118.290 120.400 -0.351 0.000 2.147 180 K HA -0.154 4.169 4.320 0.005 0.000 0.205 180 K C 0.635 176.836 176.600 -0.665 0.000 1.049 180 K CA 1.558 57.562 56.287 -0.471 0.000 0.936 180 K CB -0.203 32.008 32.500 -0.482 0.000 0.722 180 K HN 0.568 nan 8.250 nan 0.000 0.446 181 Y N -0.798 119.278 120.300 -0.374 0.000 2.531 181 Y HA 0.272 4.825 4.550 0.005 0.000 0.249 181 Y C 0.940 176.603 175.900 -0.396 0.000 1.168 181 Y CA 0.077 57.918 58.100 -0.432 0.000 1.226 181 Y CB 1.312 39.320 38.460 -0.753 0.000 1.177 181 Y HN 0.244 nan 8.280 nan 0.000 0.527 182 G N 0.551 109.203 108.800 -0.247 0.000 2.160 182 G HA2 -0.183 3.780 3.960 0.005 0.000 0.251 182 G HA3 -0.183 3.780 3.960 0.005 0.000 0.251 182 G C 0.354 175.115 174.900 -0.231 0.000 1.008 182 G CA 0.208 45.188 45.100 -0.200 0.000 0.724 182 G HN 0.627 nan 8.290 nan 0.000 0.514 183 A N -0.912 121.720 122.820 -0.313 0.000 2.248 183 A HA 0.867 5.190 4.320 0.005 0.000 0.316 183 A C -0.107 177.377 177.584 -0.167 0.000 1.101 183 A CA -0.411 51.494 52.037 -0.221 0.000 0.875 183 A CB 0.774 19.535 19.000 -0.398 0.000 1.207 183 A HN 0.596 nan 8.150 nan 0.000 0.504 184 H N -1.422 117.786 119.070 0.231 0.000 2.495 184 H HA 0.501 5.059 4.556 0.005 0.000 0.348 184 H C -1.495 174.101 175.328 0.448 0.000 1.113 184 H CA -0.040 56.221 56.048 0.354 0.000 1.195 184 H CB 1.568 31.584 29.762 0.422 0.000 1.521 184 H HN 0.532 nan 8.280 nan 0.000 0.509 185 F N 4.093 124.278 119.950 0.392 0.000 2.404 185 F HA 0.460 4.990 4.527 0.005 0.000 0.354 185 F C -0.979 175.036 175.800 0.358 0.000 1.122 185 F CA -0.647 57.566 58.000 0.356 0.000 1.080 185 F CB 0.339 39.540 39.000 0.336 0.000 1.131 185 F HN 0.392 nan 8.300 nan 0.000 0.471 186 I N 6.414 126.909 120.570 -0.125 0.000 2.382 186 I HA 0.157 4.330 4.170 0.005 0.000 0.286 186 I C -1.406 174.640 176.117 -0.119 0.000 1.002 186 I CA -0.634 60.633 61.300 -0.056 0.000 1.135 186 I CB 1.148 39.052 38.000 -0.160 0.000 1.288 186 I HN 0.591 nan 8.210 nan 0.000 0.448 187 W N 7.521 128.810 121.300 -0.019 0.000 2.296 187 W HA 0.388 5.051 4.660 0.005 0.000 0.316 187 W C -0.733 175.932 176.519 0.243 0.000 1.022 187 W CA -0.639 56.812 57.345 0.177 0.000 1.324 187 W CB 0.558 30.342 29.460 0.539 0.000 1.227 187 W HN 0.450 nan 8.180 nan 0.000 0.409 188 H N 5.054 124.543 119.070 0.697 0.000 2.552 188 H HA 0.367 4.926 4.556 0.005 0.000 0.311 188 H C -0.312 175.372 175.328 0.593 0.000 1.071 188 H CA 0.316 56.696 56.048 0.553 0.000 1.307 188 H CB 1.696 31.658 29.762 0.333 0.000 1.416 188 H HN 0.341 nan 8.280 nan 0.000 0.464 189 D N 0.377 121.206 120.400 0.714 0.000 2.738 189 D HA 0.227 4.869 4.640 0.005 0.000 0.308 189 D C -1.048 175.536 176.300 0.474 0.000 1.311 189 D CA -0.348 53.836 54.000 0.306 0.000 0.799 189 D CB 2.371 42.953 40.800 -0.363 0.000 1.332 189 D HN 0.562 nan 8.370 nan 0.000 0.441 190 H N 0.695 119.709 119.070 -0.094 0.000 3.017 190 H HA 0.344 4.903 4.556 0.005 0.000 0.346 190 H C -0.991 174.238 175.328 -0.166 0.000 1.286 190 H CA -0.203 55.867 56.048 0.037 0.000 1.120 190 H CB 2.031 31.733 29.762 -0.100 0.000 1.860 190 H HN 0.550 nan 8.280 nan 0.000 0.542 191 E N 0.807 120.837 120.200 -0.284 0.000 7.757 191 E HA -0.129 4.224 4.350 0.005 0.000 0.466 191 E C -0.034 176.511 176.600 -0.091 0.000 0.632 191 E CA 0.279 56.590 56.400 -0.148 0.000 1.317 191 E CB 0.161 29.854 29.700 -0.012 0.000 0.966 191 E HN 0.679 nan 8.360 nan 0.000 0.262 192 K N 1.467 121.875 120.400 0.013 0.000 2.002 192 K HA -0.139 4.184 4.320 0.005 0.000 0.209 192 K C 2.028 178.649 176.600 0.035 0.000 1.048 192 K CA 2.193 58.517 56.287 0.061 0.000 0.930 192 K CB -0.255 32.299 32.500 0.090 0.000 0.714 192 K HN 0.691 nan 8.250 nan 0.000 0.438 193 W N 1.164 122.510 121.300 0.077 0.000 2.342 193 W HA -0.207 4.456 4.660 0.005 0.000 0.297 193 W C 1.653 178.174 176.519 0.002 0.000 1.213 193 W CA 0.561 57.926 57.345 0.032 0.000 1.251 193 W CB -1.124 28.348 29.460 0.020 0.000 1.136 193 W HN 0.001 nan 8.180 nan 0.000 0.526 194 F N 0.439 119.445 119.950 -1.572 0.000 2.060 194 F HA -0.072 4.458 4.527 0.005 0.000 0.295 194 F C 2.326 177.671 175.800 -0.758 0.000 1.120 194 F CA 2.340 59.359 58.000 -1.634 0.000 1.205 194 F CB -1.038 37.020 39.000 -1.570 0.000 0.986 194 F HN -0.243 nan 8.300 nan 0.000 0.470 195 W N 1.017 122.178 121.300 -0.231 0.000 2.374 195 W HA -0.115 4.547 4.660 0.004 0.000 0.288 195 W C 2.389 178.937 176.519 0.049 0.000 1.218 195 W CA 1.184 58.496 57.345 -0.056 0.000 1.245 195 W CB -0.380 29.145 29.460 0.108 0.000 1.126 195 W HN 0.080 nan 8.180 nan 0.000 0.545 196 E N -0.557 119.781 120.200 0.230 0.000 2.085 196 E HA -0.199 4.154 4.350 0.005 0.000 0.194 196 E C 1.973 178.700 176.600 0.211 0.000 0.994 196 E CA 1.946 58.512 56.400 0.276 0.000 0.801 196 E CB -0.394 29.359 29.700 0.087 0.000 0.743 196 E HN 0.165 nan 8.360 nan 0.000 0.453 197 T N 1.189 115.685 114.554 -0.097 0.000 2.812 197 T HA -0.089 4.264 4.350 0.005 0.000 0.264 197 T C 1.817 176.401 174.700 -0.192 0.000 1.042 197 T CA 0.595 62.575 62.100 -0.198 0.000 1.140 197 T CB -0.016 68.564 68.868 -0.480 0.000 0.870 197 T HN 0.045 nan 8.240 nan 0.000 0.445 198 I N 1.017 121.370 120.570 -0.360 0.000 2.163 198 I HA -0.087 4.086 4.170 0.005 0.000 0.243 198 I C 2.252 178.364 176.117 -0.008 0.000 1.085 198 I CA 1.543 62.683 61.300 -0.266 0.000 1.347 198 I CB -0.992 36.670 38.000 -0.563 0.000 1.044 198 I HN 0.272 nan 8.210 nan 0.000 0.408 199 M N 0.485 120.083 119.600 -0.002 0.000 2.562 199 M HA -0.026 4.457 4.480 0.005 0.000 0.257 199 M C 1.511 177.726 176.300 -0.141 0.000 1.099 199 M CA 1.224 56.434 55.300 -0.149 0.000 1.099 199 M CB -0.943 31.288 32.600 -0.615 0.000 1.427 199 M HN 0.181 nan 8.290 nan 0.000 0.489 200 N N -0.200 118.560 118.700 0.100 0.000 2.459 200 N HA -0.096 4.647 4.740 0.005 0.000 0.181 200 N C -0.091 175.476 175.510 0.094 0.000 1.046 200 N CA 0.179 53.300 53.050 0.118 0.000 0.904 200 N CB -0.086 38.482 38.487 0.135 0.000 0.964 200 N HN 0.384 nan 8.380 nan 0.000 0.444 201 D N 0.761 121.243 120.400 0.136 0.000 2.401 201 D HA 0.003 4.646 4.640 0.005 0.000 0.254 201 D C -1.420 175.011 176.300 0.219 0.000 1.192 201 D CA -1.722 52.385 54.000 0.178 0.000 0.885 201 D CB 1.084 42.016 40.800 0.220 0.000 1.147 201 D HN 0.046 nan 8.370 nan 0.000 0.478 202 P HA -0.124 nan 4.420 nan 0.000 0.219 202 P C 1.072 178.494 177.300 0.203 0.000 1.150 202 P CA 0.951 64.174 63.100 0.205 0.000 0.814 202 P CB 0.148 31.934 31.700 0.144 0.000 0.787 203 T N -0.433 114.231 114.554 0.183 0.000 2.737 203 T HA -0.125 4.228 4.350 0.005 0.000 0.265 203 T C 1.518 176.331 174.700 0.189 0.000 1.038 203 T CA 1.048 63.245 62.100 0.161 0.000 1.144 203 T CB -0.974 67.986 68.868 0.153 0.000 0.866 203 T HN -0.021 nan 8.240 nan 0.000 0.434 204 F N 0.937 120.969 119.950 0.137 0.000 2.206 204 F HA 0.088 4.617 4.527 0.005 0.000 0.298 204 F C 1.862 177.750 175.800 0.146 0.000 1.090 204 F CA 0.313 58.405 58.000 0.152 0.000 1.323 204 F CB -0.434 38.690 39.000 0.207 0.000 1.028 204 F HN 0.099 nan 8.300 nan 0.000 0.492 205 F N 1.448 121.413 119.950 0.024 0.000 2.095 205 F HA -0.193 4.337 4.527 0.005 0.000 0.298 205 F C 2.450 178.176 175.800 -0.124 0.000 1.104 205 F CA 2.112 60.065 58.000 -0.077 0.000 1.232 205 F CB -0.830 38.163 39.000 -0.011 0.000 0.987 205 F HN 0.101 nan 8.300 nan 0.000 0.475 206 E N 0.623 120.730 120.200 -0.156 0.000 2.051 206 E HA -0.178 4.175 4.350 0.005 0.000 0.192 206 E C 2.171 178.587 176.600 -0.306 0.000 0.991 206 E CA 1.703 57.947 56.400 -0.260 0.000 0.799 206 E CB -0.710 28.933 29.700 -0.096 0.000 0.748 206 E HN 0.368 nan 8.360 nan 0.000 0.449 207 A N 0.002 122.679 122.820 -0.237 0.000 1.933 207 A HA -0.174 4.149 4.320 0.005 0.000 0.218 207 A C 2.441 179.841 177.584 -0.306 0.000 1.175 207 A CA 1.929 53.838 52.037 -0.213 0.000 0.628 207 A CB -0.760 18.185 19.000 -0.093 0.000 0.814 207 A HN 0.320 nan 8.150 nan 0.000 0.444 208 S N -0.345 115.079 115.700 -0.460 0.000 2.368 208 S HA -0.202 4.271 4.470 0.005 0.000 0.225 208 S C 2.077 176.553 174.600 -0.207 0.000 1.030 208 S CA 1.536 59.528 58.200 -0.348 0.000 0.999 208 S CB -0.328 62.641 63.200 -0.385 0.000 0.844 208 S HN 0.716 nan 8.310 nan 0.000 0.459 209 Q N 0.621 120.216 119.800 -0.342 0.000 2.170 209 Q HA -0.062 4.280 4.340 0.005 0.000 0.203 209 Q C 2.072 177.979 176.000 -0.154 0.000 0.976 209 Q CA 1.066 56.704 55.803 -0.274 0.000 0.858 209 Q CB -0.086 28.380 28.738 -0.453 0.000 0.907 209 Q HN 0.475 nan 8.270 nan 0.000 0.433 210 K N -0.546 119.632 120.400 -0.370 0.000 2.098 210 K HA -0.057 4.266 4.320 0.005 0.000 0.203 210 K C 0.529 176.786 176.600 -0.572 0.000 1.051 210 K CA 0.865 56.794 56.287 -0.598 0.000 0.957 210 K CB 0.324 32.121 32.500 -1.172 0.000 0.738 210 K HN 0.159 nan 8.250 nan 0.000 0.447 211 Y N 0.753 120.958 120.300 -0.157 0.000 2.720 211 Y HA 0.109 4.662 4.550 0.005 0.000 0.268 211 Y C 1.531 177.330 175.900 -0.168 0.000 1.142 211 Y CA -0.844 57.139 58.100 -0.194 0.000 1.193 211 Y CB -0.692 37.690 38.460 -0.129 0.000 1.176 211 Y HN 0.191 nan 8.280 nan 0.000 0.542 212 H N -0.268 118.831 119.070 0.048 0.000 2.394 212 H HA -0.228 4.331 4.556 0.005 0.000 0.297 212 H C 1.839 177.255 175.328 0.147 0.000 1.113 212 H CA 1.733 57.829 56.048 0.080 0.000 1.277 212 H CB 0.006 29.788 29.762 0.034 0.000 1.370 212 H HN 0.339 nan 8.280 nan 0.000 0.506 213 K N 1.018 121.287 120.400 -0.218 0.000 2.113 213 K HA -0.123 4.200 4.320 0.005 0.000 0.208 213 K C 1.379 178.027 176.600 0.080 0.000 1.047 213 K CA 1.590 57.876 56.287 -0.002 0.000 0.928 213 K CB 0.056 32.495 32.500 -0.103 0.000 0.716 213 K HN 0.413 nan 8.250 nan 0.000 0.446 214 N N 0.309 119.033 118.700 0.041 0.000 2.280 214 N HA -0.003 4.740 4.740 0.005 0.000 0.192 214 N C -0.567 175.101 175.510 0.264 0.000 1.109 214 N CA 0.030 53.074 53.050 -0.009 0.000 0.855 214 N CB 0.535 38.985 38.487 -0.061 0.000 0.974 214 N HN 0.068 nan 8.380 nan 0.000 0.482 215 L N 1.368 122.796 121.223 0.342 0.000 2.322 215 L HA 0.443 4.786 4.340 0.005 0.000 0.281 215 L C -0.854 176.274 176.870 0.430 0.000 1.014 215 L CA -0.728 54.374 54.840 0.436 0.000 0.815 215 L CB 1.863 44.145 42.059 0.373 0.000 1.247 215 L HN -0.295 nan 8.230 nan 0.000 0.421 216 V N 6.326 126.492 119.914 0.420 0.000 2.444 216 V HA 0.467 4.590 4.120 0.005 0.000 0.294 216 V C -0.173 176.104 176.094 0.304 0.000 1.022 216 V CA -0.596 61.874 62.300 0.284 0.000 0.850 216 V CB 1.517 33.419 31.823 0.131 0.000 0.992 216 V HN 0.595 nan 8.190 nan 0.000 0.426 217 L N 4.303 125.687 121.223 0.268 0.000 2.309 217 L HA 0.948 5.291 4.340 0.005 0.000 0.282 217 L C 0.183 177.132 176.870 0.132 0.000 1.036 217 L CA -0.334 54.619 54.840 0.188 0.000 0.806 217 L CB 1.776 43.856 42.059 0.035 0.000 1.220 217 L HN 0.782 nan 8.230 nan 0.000 0.429 218 A N 1.096 124.008 122.820 0.153 0.000 2.572 218 A HA 0.710 5.033 4.320 0.005 0.000 0.295 218 A C -0.295 177.563 177.584 0.456 0.000 1.072 218 A CA -0.509 51.669 52.037 0.234 0.000 0.691 218 A CB 1.770 20.769 19.000 -0.002 0.000 1.291 218 A HN 0.672 nan 8.150 nan 0.000 0.404 219 T N -0.983 113.853 114.554 0.470 0.000 2.788 219 T HA 0.611 4.964 4.350 0.005 0.000 0.280 219 T C -0.095 174.933 174.700 0.548 0.000 0.984 219 T CA -0.250 62.192 62.100 0.570 0.000 0.972 219 T CB 0.864 70.029 68.868 0.495 0.000 1.039 219 T HN 0.817 nan 8.240 nan 0.000 0.530 220 K N 1.295 122.000 120.400 0.508 0.000 2.793 220 K HA 0.170 4.493 4.320 0.005 0.000 0.269 220 K C -0.103 176.346 176.600 -0.252 0.000 1.124 220 K CA -0.601 55.810 56.287 0.206 0.000 1.074 220 K CB 0.183 32.877 32.500 0.323 0.000 1.322 220 K HN 0.723 nan 8.250 nan 0.000 0.532 221 N N 1.744 120.237 118.700 -0.343 0.000 2.421 221 N HA -0.055 4.688 4.740 0.005 0.000 0.201 221 N C 0.425 175.750 175.510 -0.308 0.000 1.198 221 N CA 0.192 52.842 53.050 -0.668 0.000 0.838 221 N CB 0.125 38.477 38.487 -0.226 0.000 1.011 221 N HN 0.373 nan 8.380 nan 0.000 0.463 222 T N 1.313 115.777 114.554 -0.150 0.000 2.653 222 T HA -0.119 4.234 4.350 0.005 0.000 0.268 222 T C -0.908 173.787 174.700 -0.010 0.000 1.035 222 T CA 1.624 63.744 62.100 0.033 0.000 1.154 222 T CB -1.195 67.772 68.868 0.164 0.000 0.862 222 T HN 0.438 nan 8.240 nan 0.000 0.441 223 P HA 0.234 nan 4.420 nan 0.000 0.253 223 P C 0.642 177.913 177.300 -0.047 0.000 1.281 223 P CA 0.244 63.276 63.100 -0.113 0.000 0.792 223 P CB -1.252 30.228 31.700 -0.366 0.000 1.193 224 I N -3.008 117.534 120.570 -0.047 0.000 6.833 224 I HA -0.278 3.895 4.170 0.005 0.000 0.126 224 I C -1.080 175.048 176.117 0.018 0.000 1.810 224 I CA 0.766 62.057 61.300 -0.015 0.000 2.119 224 I CB -2.307 35.664 38.000 -0.048 0.000 3.512 224 I HN 0.089 nan 8.210 nan 0.000 0.194 225 R N 0.809 121.355 120.500 0.076 0.000 2.663 225 R HA 0.406 4.749 4.340 0.005 0.000 0.267 225 R C -0.195 176.209 176.300 0.173 0.000 1.038 225 R CA -0.720 55.444 56.100 0.108 0.000 0.886 225 R CB 0.804 31.170 30.300 0.110 0.000 1.249 225 R HN 0.286 nan 8.270 nan 0.000 0.463 226 D N 0.741 121.211 120.400 0.116 0.000 2.870 226 D HA -0.161 4.482 4.640 0.005 0.000 0.228 226 D C 0.201 176.522 176.300 0.035 0.000 1.147 226 D CA 1.198 55.237 54.000 0.064 0.000 0.757 226 D CB -0.609 40.207 40.800 0.027 0.000 1.091 226 D HN 0.584 nan 8.370 nan 0.000 0.429 227 D N -0.486 119.983 120.400 0.116 0.000 2.117 227 D HA -0.069 4.574 4.640 0.005 0.000 0.197 227 D C 2.076 178.407 176.300 0.052 0.000 0.987 227 D CA 1.766 55.854 54.000 0.147 0.000 0.829 227 D CB -0.191 40.674 40.800 0.108 0.000 0.961 227 D HN 0.480 nan 8.370 nan 0.000 0.460 228 A N 0.519 123.298 122.820 -0.068 0.000 1.872 228 A HA 0.076 4.398 4.320 0.005 0.000 0.214 228 A C 2.373 179.724 177.584 -0.388 0.000 1.187 228 A CA 1.834 53.727 52.037 -0.241 0.000 0.614 228 A CB -1.049 17.460 19.000 -0.818 0.000 0.826 228 A HN 0.287 nan 8.150 nan 0.000 0.442 229 G N -1.005 107.615 108.800 -0.300 0.000 2.442 229 G HA2 -0.152 3.811 3.960 0.005 0.000 0.219 229 G HA3 -0.152 3.811 3.960 0.005 0.000 0.219 229 G C 1.541 176.409 174.900 -0.054 0.000 1.141 229 G CA 1.703 46.794 45.100 -0.016 0.000 0.763 229 G HN 0.432 nan 8.290 nan 0.000 0.554 230 T N 0.871 115.366 114.554 -0.099 0.000 2.737 230 T HA -0.053 4.300 4.350 0.005 0.000 0.265 230 T C 2.028 176.652 174.700 -0.127 0.000 1.038 230 T CA 1.315 63.335 62.100 -0.133 0.000 1.144 230 T CB -0.274 68.384 68.868 -0.349 0.000 0.866 230 T HN 0.141 nan 8.240 nan 0.000 0.434 231 D N 1.117 121.503 120.400 -0.023 0.000 2.133 231 D HA -0.062 4.581 4.640 0.005 0.000 0.195 231 D C 2.443 178.621 176.300 -0.202 0.000 0.997 231 D CA 1.049 55.031 54.000 -0.030 0.000 0.840 231 D CB -0.369 40.567 40.800 0.228 0.000 0.947 231 D HN 0.240 nan 8.370 nan 0.000 0.452 232 S N -0.104 115.548 115.700 -0.081 0.000 2.355 232 S HA -0.057 4.416 4.470 0.005 0.000 0.222 232 S C 2.185 176.657 174.600 -0.213 0.000 1.031 232 S CA 0.509 58.678 58.200 -0.052 0.000 0.993 232 S CB -0.048 63.231 63.200 0.133 0.000 0.859 232 S HN 0.257 nan 8.310 nan 0.000 0.453 233 I N 0.837 121.231 120.570 -0.293 0.000 2.233 233 I HA -0.103 4.070 4.170 0.005 0.000 0.243 233 I C 2.142 177.705 176.117 -0.925 0.000 1.093 233 I CA 0.781 61.767 61.300 -0.523 0.000 1.380 233 I CB -0.348 37.401 38.000 -0.419 0.000 1.067 233 I HN 0.136 nan 8.210 nan 0.000 0.413 234 V N 0.796 120.234 119.914 -0.794 0.000 2.307 234 V HA -0.257 3.866 4.120 0.005 0.000 0.245 234 V C 2.666 178.339 176.094 -0.701 0.000 1.045 234 V CA 2.226 64.067 62.300 -0.765 0.000 1.024 234 V CB -0.799 30.668 31.823 -0.593 0.000 0.651 234 V HN 0.594 nan 8.190 nan 0.000 0.449 235 S N 0.981 116.048 115.700 -1.054 0.000 2.399 235 S HA -0.093 4.380 4.470 0.005 0.000 0.231 235 S C 2.086 176.525 174.600 -0.269 0.000 1.022 235 S CA 1.400 58.921 58.200 -1.132 0.000 0.983 235 S CB -0.833 61.638 63.200 -1.214 0.000 0.803 235 S HN 0.545 nan 8.310 nan 0.000 0.480 236 G N 0.687 109.330 108.800 -0.262 0.000 2.422 236 G HA2 -0.070 3.893 3.960 0.005 0.000 0.218 236 G HA3 -0.070 3.893 3.960 0.005 0.000 0.218 236 G C 1.065 176.004 174.900 0.066 0.000 1.146 236 G CA 0.799 45.858 45.100 -0.069 0.000 0.769 236 G HN 0.514 nan 8.290 nan 0.000 0.547 237 F N -0.438 119.516 119.950 0.006 0.000 2.126 237 F HA 0.034 4.564 4.527 0.005 0.000 0.299 237 F C 2.271 178.149 175.800 0.130 0.000 1.096 237 F CA 0.189 58.222 58.000 0.054 0.000 1.255 237 F CB -0.995 37.999 39.000 -0.010 0.000 0.997 237 F HN 0.355 nan 8.300 nan 0.000 0.479 238 W N 0.996 122.379 121.300 0.138 0.000 2.355 238 W HA -0.142 4.521 4.660 0.005 0.000 0.309 238 W C 1.983 178.559 176.519 0.096 0.000 1.206 238 W CA 1.595 59.021 57.345 0.135 0.000 1.284 238 W CB -0.755 28.811 29.460 0.177 0.000 1.145 238 W HN -0.029 nan 8.180 nan 0.000 0.502 239 L N 0.538 121.730 121.223 -0.053 0.000 2.191 239 L HA -0.194 4.149 4.340 0.005 0.000 0.212 239 L C 2.277 179.047 176.870 -0.167 0.000 1.103 239 L CA 1.515 56.198 54.840 -0.262 0.000 0.769 239 L CB -0.830 41.263 42.059 0.055 0.000 0.908 239 L HN -0.123 nan 8.230 nan 0.000 0.438 240 S N -0.547 115.162 115.700 0.015 0.000 2.603 240 S HA 0.140 4.613 4.470 0.005 0.000 0.220 240 S C 1.459 176.038 174.600 -0.035 0.000 0.967 240 S CA 0.665 58.892 58.200 0.045 0.000 0.920 240 S CB 0.353 63.672 63.200 0.199 0.000 0.773 240 S HN 0.643 nan 8.310 nan 0.000 0.529 241 G N 1.229 109.970 108.800 -0.099 0.000 2.143 241 G HA2 -0.238 3.725 3.960 0.005 0.000 0.249 241 G HA3 -0.238 3.725 3.960 0.005 0.000 0.249 241 G C 0.564 175.374 174.900 -0.150 0.000 0.981 241 G CA 0.341 45.324 45.100 -0.194 0.000 0.665 241 G HN 0.511 nan 8.290 nan 0.000 0.528 242 L N -0.357 120.880 121.223 0.022 0.000 2.446 242 L HA 0.262 4.604 4.340 0.005 0.000 0.219 242 L C 1.508 178.466 176.870 0.146 0.000 1.116 242 L CA 0.958 55.824 54.840 0.043 0.000 0.844 242 L CB -0.009 42.074 42.059 0.039 0.000 0.970 242 L HN 0.740 nan 8.230 nan 0.000 0.457 243 C N -4.666 114.787 119.300 0.256 0.000 2.985 243 C HA 0.407 4.870 4.460 0.005 0.000 0.332 243 C C 0.532 175.802 174.990 0.467 0.000 1.164 243 C CA -0.989 58.241 59.018 0.354 0.000 1.347 243 C CB 1.540 29.488 27.740 0.347 0.000 1.764 243 C HN 0.065 nan 8.230 nan 0.000 0.489 244 D N 0.931 121.606 120.400 0.458 0.000 2.347 244 D HA 0.143 4.786 4.640 0.005 0.000 0.213 244 D C 0.271 176.899 176.300 0.548 0.000 0.985 244 D CA 1.146 55.447 54.000 0.502 0.000 0.879 244 D CB 0.194 41.235 40.800 0.401 0.000 0.919 244 D HN 0.628 nan 8.370 nan 0.000 0.526 245 N N 0.023 118.952 118.700 0.381 0.000 2.331 245 N HA 0.197 4.940 4.740 0.005 0.000 0.280 245 N C -1.106 174.461 175.510 0.094 0.000 1.155 245 N CA -0.689 52.406 53.050 0.074 0.000 0.822 245 N CB 2.361 40.864 38.487 0.027 0.000 1.619 245 N HN 0.064 nan 8.380 nan 0.000 0.476 246 W N 0.656 121.737 121.300 -0.364 0.000 2.929 246 W HA 0.836 5.499 4.660 0.005 0.000 0.345 246 W C -0.788 175.561 176.519 -0.284 0.000 1.151 246 W CA -0.796 56.404 57.345 -0.241 0.000 1.111 246 W CB 0.787 30.129 29.460 -0.197 0.000 1.449 246 W HN 0.624 nan 8.180 nan 0.000 0.572 247 G N 0.716 109.432 108.800 -0.140 0.000 2.529 247 G HA2 0.519 4.482 3.960 0.005 0.000 0.238 247 G HA3 0.519 4.482 3.960 0.005 0.000 0.238 247 G C -1.590 173.270 174.900 -0.067 0.000 1.207 247 G CA -0.129 44.687 45.100 -0.475 0.000 0.928 247 G HN 1.093 nan 8.290 nan 0.000 0.495 248 S N -1.489 114.167 115.700 -0.074 0.000 2.541 248 S HA 0.707 5.180 4.470 0.005 0.000 0.271 248 S C -0.981 173.673 174.600 0.090 0.000 1.133 248 S CA -0.053 58.209 58.200 0.102 0.000 0.876 248 S CB 1.675 64.879 63.200 0.007 0.000 1.105 248 S HN 1.472 nan 8.310 nan 0.000 0.470 249 S N 1.469 117.207 115.700 0.063 0.000 2.448 249 S HA 0.522 4.994 4.470 0.005 0.000 0.320 249 S C -0.505 174.019 174.600 -0.127 0.000 1.071 249 S CA -0.357 57.681 58.200 -0.270 0.000 1.113 249 S CB 0.072 62.974 63.200 -0.497 0.000 0.972 249 S HN 0.717 nan 8.310 nan 0.000 0.465 250 T N 4.741 119.156 114.554 -0.232 0.000 2.723 250 T HA 0.237 4.590 4.350 0.005 0.000 0.297 250 T C -0.686 174.081 174.700 0.111 0.000 0.925 250 T CA -0.238 61.843 62.100 -0.031 0.000 1.030 250 T CB 0.463 69.343 68.868 0.020 0.000 0.905 250 T HN 0.609 nan 8.240 nan 0.000 0.502 251 D N 2.334 122.822 120.400 0.146 0.000 2.440 251 D HA 0.213 4.856 4.640 0.005 0.000 0.239 251 D C 1.407 177.868 176.300 0.269 0.000 1.084 251 D CA -0.591 53.542 54.000 0.221 0.000 0.843 251 D CB 1.311 42.245 40.800 0.223 0.000 1.097 251 D HN 0.478 nan 8.370 nan 0.000 0.531 252 T N 0.265 114.977 114.554 0.264 0.000 3.113 252 T HA -0.072 4.281 4.350 0.005 0.000 0.263 252 T C 1.659 176.537 174.700 0.297 0.000 1.143 252 T CA 0.198 62.447 62.100 0.248 0.000 1.090 252 T CB -0.408 68.586 68.868 0.211 0.000 0.922 252 T HN 0.464 nan 8.240 nan 0.000 0.521 253 W N 2.891 124.330 121.300 0.233 0.000 2.387 253 W HA -0.041 4.622 4.660 0.004 0.000 0.272 253 W C 2.430 179.155 176.519 0.344 0.000 1.224 253 W CA 0.911 58.426 57.345 0.284 0.000 1.210 253 W CB -0.064 29.490 29.460 0.156 0.000 1.125 253 W HN 0.437 nan 8.180 nan 0.000 0.572 254 K N -0.291 120.390 120.400 0.469 0.000 2.113 254 K HA -0.277 4.046 4.320 0.005 0.000 0.208 254 K C 1.944 178.735 176.600 0.318 0.000 1.047 254 K CA 1.610 58.092 56.287 0.326 0.000 0.928 254 K CB -1.395 31.241 32.500 0.225 0.000 0.716 254 K HN 0.284 nan 8.250 nan 0.000 0.446 255 W N 0.857 122.276 121.300 0.199 0.000 2.358 255 W HA -0.195 4.468 4.660 0.005 0.000 0.303 255 W C 1.712 178.348 176.519 0.194 0.000 1.208 255 W CA 1.174 58.620 57.345 0.168 0.000 1.274 255 W CB -0.349 29.212 29.460 0.169 0.000 1.138 255 W HN 0.307 nan 8.180 nan 0.000 0.515 256 W N 1.849 123.336 121.300 0.310 0.000 2.381 256 W HA -0.188 4.475 4.660 0.006 0.000 0.301 256 W C 2.284 178.933 176.519 0.217 0.000 1.205 256 W CA 1.992 59.502 57.345 0.275 0.000 1.285 256 W CB -0.502 29.208 29.460 0.417 0.000 1.133 256 W HN -0.248 nan 8.180 nan 0.000 0.521 257 E N 0.374 120.805 120.200 0.386 0.000 2.118 257 E HA -0.202 4.151 4.350 0.005 0.000 0.195 257 E C 1.847 178.307 176.600 -0.234 0.000 0.992 257 E CA 1.214 57.665 56.400 0.086 0.000 0.804 257 E CB -0.426 29.387 29.700 0.188 0.000 0.741 257 E HN 0.279 nan 8.360 nan 0.000 0.458 258 K N -0.019 120.151 120.400 -0.383 0.000 2.486 258 K HA -0.040 4.283 4.320 0.005 0.000 0.194 258 K C -0.012 176.127 176.600 -0.768 0.000 1.033 258 K CA 0.229 56.028 56.287 -0.813 0.000 1.004 258 K CB -0.310 31.314 32.500 -1.459 0.000 0.798 258 K HN 0.442 nan 8.250 nan 0.000 0.495 259 H N -1.520 117.245 119.070 -0.509 0.000 2.936 259 H HA -0.188 4.371 4.556 0.005 0.000 0.276 259 H C -0.582 174.627 175.328 -0.198 0.000 1.216 259 H CA -0.126 55.709 56.048 -0.354 0.000 1.132 259 H CB -1.821 27.773 29.762 -0.280 0.000 1.303 259 H HN 0.073 nan 8.280 nan 0.000 0.370 260 Y N 1.205 121.308 120.300 -0.328 0.000 2.300 260 Y HA 0.315 4.868 4.550 0.005 0.000 0.328 260 Y C 1.595 177.352 175.900 -0.238 0.000 1.270 260 Y CA 0.070 57.857 58.100 -0.521 0.000 1.352 260 Y CB 1.021 38.650 38.460 -1.384 0.000 1.286 260 Y HN 0.318 nan 8.280 nan 0.000 0.536 261 T N -2.191 112.326 114.554 -0.062 0.000 1.796 261 T HA 0.253 4.605 4.350 0.005 0.000 0.177 261 T C 0.188 174.708 174.700 -0.300 0.000 0.689 261 T CA -0.691 61.151 62.100 -0.430 0.000 1.180 261 T CB 0.044 68.257 68.868 -1.093 0.000 3.041 261 T HN 0.327 nan 8.240 nan 0.000 0.426 262 N N 2.124 120.271 118.700 -0.922 0.000 2.416 262 N HA 0.161 4.904 4.740 0.005 0.000 0.246 262 N C -0.449 174.983 175.510 -0.128 0.000 1.260 262 N CA 0.310 53.128 53.050 -0.387 0.000 0.897 262 N CB 0.209 38.466 38.487 -0.384 0.000 1.110 262 N HN 0.644 nan 8.380 nan 0.000 0.439 263 T N 3.917 118.392 114.554 -0.132 0.000 2.866 263 T HA 0.042 4.395 4.350 0.005 0.000 0.293 263 T C 0.341 174.861 174.700 -0.299 0.000 1.005 263 T CA 0.365 62.267 62.100 -0.331 0.000 1.162 263 T CB -0.404 68.094 68.868 -0.618 0.000 0.968 263 T HN 0.498 nan 8.240 nan 0.000 0.530 264 F N -1.720 118.252 119.950 0.036 0.000 2.748 264 F HA -0.202 4.328 4.527 0.005 0.000 0.370 264 F C 0.781 176.510 175.800 -0.119 0.000 0.620 264 F CA 0.814 58.780 58.000 -0.056 0.000 1.233 264 F CB -1.931 37.059 39.000 -0.016 0.000 1.708 264 F HN 0.684 nan 8.300 nan 0.000 0.298 265 E N 1.699 121.885 120.200 -0.023 0.000 2.354 265 E HA 0.443 4.796 4.350 0.005 0.000 0.269 265 E C 0.455 176.976 176.600 -0.132 0.000 1.036 265 E CA 0.425 56.769 56.400 -0.093 0.000 0.876 265 E CB 1.084 30.670 29.700 -0.191 0.000 1.009 265 E HN 0.284 nan 8.360 nan 0.000 0.416 266 T N 0.239 114.733 114.554 -0.100 0.000 2.924 266 T HA 0.590 4.943 4.350 0.005 0.000 0.291 266 T C 0.792 175.440 174.700 -0.087 0.000 1.045 266 T CA -0.160 61.886 62.100 -0.089 0.000 1.015 266 T CB 1.642 70.474 68.868 -0.060 0.000 1.103 266 T HN 0.732 nan 8.240 nan 0.000 0.496 267 G N 0.726 109.481 108.800 -0.074 0.000 2.143 267 G HA2 -0.234 3.729 3.960 0.005 0.000 0.249 267 G HA3 -0.234 3.729 3.960 0.005 0.000 0.249 267 G C 0.032 174.883 174.900 -0.082 0.000 0.981 267 G CA 0.326 45.386 45.100 -0.066 0.000 0.665 267 G HN 0.951 nan 8.290 nan 0.000 0.528 268 R N 0.442 120.868 120.500 -0.124 0.000 2.532 268 R HA 0.704 5.047 4.340 0.005 0.000 0.295 268 R C 0.683 176.909 176.300 -0.124 0.000 0.968 268 R CA -0.051 55.966 56.100 -0.139 0.000 0.916 268 R CB 0.904 31.054 30.300 -0.249 0.000 1.124 268 R HN 0.610 nan 8.270 nan 0.000 0.463 269 A N 4.629 127.409 122.820 -0.066 0.000 2.520 269 A HA 0.103 4.426 4.320 0.005 0.000 0.245 269 A C 0.188 177.779 177.584 0.011 0.000 1.072 269 A CA -0.201 51.809 52.037 -0.044 0.000 0.761 269 A CB 0.095 19.094 19.000 -0.002 0.000 1.004 269 A HN 0.913 nan 8.150 nan 0.000 0.499 270 R N 1.677 122.160 120.500 -0.029 0.000 2.784 270 R HA 0.425 4.768 4.340 0.005 0.000 0.266 270 R C -0.695 175.786 176.300 0.302 0.000 1.044 270 R CA 0.400 56.570 56.100 0.117 0.000 1.151 270 R CB 0.229 30.457 30.300 -0.120 0.000 1.037 270 R HN 0.807 nan 8.270 nan 0.000 0.478 271 D N 1.003 121.695 120.400 0.487 0.000 2.946 271 D HA 0.064 4.707 4.640 0.005 0.000 0.337 271 D C 0.690 177.107 176.300 0.196 0.000 1.332 271 D CA -0.825 53.409 54.000 0.391 0.000 0.935 271 D CB 0.165 41.119 40.800 0.256 0.000 1.440 271 D HN 0.469 nan 8.370 nan 0.000 0.540 272 M N -0.507 119.024 119.600 -0.115 0.000 2.267 272 M HA -0.057 4.426 4.480 0.005 0.000 0.263 272 M C 1.827 177.477 176.300 -1.082 0.000 1.063 272 M CA 1.319 56.206 55.300 -0.689 0.000 1.090 272 M CB -0.364 31.887 32.600 -0.582 0.000 1.392 272 M HN 0.308 nan 8.290 nan 0.000 0.422 273 R N -0.412 119.589 120.500 -0.832 0.000 2.200 273 R HA -0.089 4.254 4.340 0.005 0.000 0.234 273 R C 2.236 178.169 176.300 -0.612 0.000 1.127 273 R CA 1.365 56.803 56.100 -1.103 0.000 0.989 273 R CB -0.405 28.790 30.300 -1.841 0.000 0.869 273 R HN 0.325 nan 8.270 nan 0.000 0.459 274 S N 0.706 116.379 115.700 -0.044 0.000 2.383 274 S HA -0.181 4.292 4.470 0.005 0.000 0.229 274 S C 1.557 176.217 174.600 0.101 0.000 1.030 274 S CA 1.507 59.942 58.200 0.391 0.000 1.002 274 S CB -0.312 63.253 63.200 0.609 0.000 0.829 274 S HN 0.554 nan 8.310 nan 0.000 0.467 275 Y N 0.701 120.840 120.300 -0.267 0.000 2.616 275 Y HA 0.528 5.081 4.550 0.005 0.000 0.296 275 Y C 1.445 176.980 175.900 -0.608 0.000 1.154 275 Y CA -0.320 57.490 58.100 -0.482 0.000 1.325 275 Y CB -0.798 37.028 38.460 -1.057 0.000 1.007 275 Y HN 0.146 nan 8.280 nan 0.000 0.542 276 A N -0.706 121.760 122.820 -0.590 0.000 2.545 276 A HA 0.431 4.754 4.320 0.005 0.000 0.277 276 A C 1.289 178.048 177.584 -1.375 0.000 1.301 276 A CA 0.226 51.530 52.037 -1.222 0.000 0.935 276 A CB -0.366 18.179 19.000 -0.759 0.000 1.093 276 A HN 0.294 nan 8.150 nan 0.000 0.519 277 S N -0.608 114.532 115.700 -0.934 0.000 2.632 277 S HA 0.108 4.581 4.470 0.005 0.000 0.237 277 S C 0.441 174.247 174.600 -1.324 0.000 1.037 277 S CA -0.402 57.326 58.200 -0.786 0.000 1.009 277 S CB 0.224 63.323 63.200 -0.169 0.000 0.974 277 S HN 0.724 nan 8.310 nan 0.000 0.544 278 E N 3.239 122.696 120.200 -1.238 0.000 2.366 278 E HA 0.101 4.454 4.350 0.005 0.000 0.266 278 E C -2.713 173.505 176.600 -0.636 0.000 1.015 278 E CA -2.090 53.595 56.400 -1.191 0.000 0.906 278 E CB 0.478 29.951 29.700 -0.379 0.000 0.979 278 E HN 0.008 nan 8.360 nan 0.000 0.443 279 P HA -0.086 nan 4.420 nan 0.000 0.264 279 P C -0.255 176.935 177.300 -0.183 0.000 1.183 279 P CA 0.286 63.089 63.100 -0.495 0.000 0.763 279 P CB 0.646 31.822 31.700 -0.874 0.000 0.807 280 E N 1.550 121.720 120.200 -0.050 0.000 2.070 280 E HA -0.222 4.131 4.350 0.005 0.000 0.197 280 E C 1.901 178.545 176.600 0.074 0.000 1.004 280 E CA 2.361 58.790 56.400 0.049 0.000 0.805 280 E CB -0.603 29.215 29.700 0.197 0.000 0.744 280 E HN 0.538 nan 8.360 nan 0.000 0.451 281 S N 0.109 115.874 115.700 0.108 0.000 2.423 281 S HA -0.155 4.318 4.470 0.005 0.000 0.231 281 S C 1.998 176.682 174.600 0.141 0.000 1.014 281 S CA 1.141 59.464 58.200 0.204 0.000 0.965 281 S CB -0.221 63.118 63.200 0.232 0.000 0.785 281 S HN 0.255 nan 8.310 nan 0.000 0.495 282 M N 1.088 120.711 119.600 0.037 0.000 2.254 282 M HA 0.081 4.564 4.480 0.005 0.000 0.265 282 M C 1.786 178.068 176.300 -0.029 0.000 1.066 282 M CA 1.270 56.566 55.300 -0.008 0.000 1.123 282 M CB -0.361 32.226 32.600 -0.022 0.000 1.388 282 M HN 0.306 nan 8.290 nan 0.000 0.425 283 I N 0.613 121.188 120.570 0.008 0.000 2.163 283 I HA -0.294 3.879 4.170 0.005 0.000 0.243 283 I C 2.644 178.770 176.117 0.015 0.000 1.085 283 I CA 1.462 62.800 61.300 0.062 0.000 1.347 283 I CB -0.748 37.292 38.000 0.067 0.000 1.044 283 I HN 0.382 nan 8.210 nan 0.000 0.408 284 A N 0.474 123.261 122.820 -0.054 0.000 1.933 284 A HA -0.227 4.096 4.320 0.005 0.000 0.218 284 A C 2.323 179.548 177.584 -0.599 0.000 1.175 284 A CA 1.751 53.622 52.037 -0.275 0.000 0.628 284 A CB -0.607 18.328 19.000 -0.109 0.000 0.814 284 A HN 0.366 nan 8.150 nan 0.000 0.444 285 M N -0.603 118.763 119.600 -0.391 0.000 2.117 285 M HA -0.170 4.313 4.480 0.005 0.000 0.262 285 M C 1.975 178.085 176.300 -0.315 0.000 1.065 285 M CA 1.676 56.712 55.300 -0.440 0.000 1.114 285 M CB -0.476 31.792 32.600 -0.553 0.000 1.361 285 M HN 0.463 nan 8.290 nan 0.000 0.408 286 E N 0.311 120.393 120.200 -0.197 0.000 2.085 286 E HA -0.216 4.137 4.350 0.005 0.000 0.194 286 E C 1.986 178.577 176.600 -0.015 0.000 0.994 286 E CA 1.490 57.847 56.400 -0.071 0.000 0.801 286 E CB -0.311 29.395 29.700 0.011 0.000 0.743 286 E HN 0.590 nan 8.360 nan 0.000 0.453 287 M N 0.227 119.791 119.600 -0.060 0.000 2.117 287 M HA -0.151 4.332 4.480 0.005 0.000 0.262 287 M C 2.518 178.791 176.300 -0.045 0.000 1.065 287 M CA 1.256 56.593 55.300 0.062 0.000 1.114 287 M CB -0.267 32.332 32.600 -0.003 0.000 1.361 287 M HN 0.143 nan 8.290 nan 0.000 0.408 288 M N 0.648 119.936 119.600 -0.521 0.000 2.149 288 M HA -0.240 4.243 4.480 0.005 0.000 0.261 288 M C 1.394 177.819 176.300 0.207 0.000 1.064 288 M CA 1.792 56.971 55.300 -0.202 0.000 1.102 288 M CB -0.257 32.205 32.600 -0.231 0.000 1.369 288 M HN 0.231 nan 8.290 nan 0.000 0.408 289 N N -0.053 118.766 118.700 0.199 0.000 2.149 289 N HA -0.135 4.608 4.740 0.005 0.000 0.188 289 N C 1.569 177.282 175.510 0.338 0.000 1.019 289 N CA 1.490 54.737 53.050 0.328 0.000 0.857 289 N CB -0.545 38.105 38.487 0.273 0.000 0.997 289 N HN 0.268 nan 8.380 nan 0.000 0.426 290 V N 0.216 120.258 119.914 0.213 0.000 2.273 290 V HA -0.197 3.926 4.120 0.005 0.000 0.242 290 V C 1.948 178.004 176.094 -0.063 0.000 1.035 290 V CA 1.266 63.525 62.300 -0.069 0.000 1.013 290 V CB -0.794 30.865 31.823 -0.274 0.000 0.652 290 V HN 0.241 nan 8.190 nan 0.000 0.452 291 Y N 2.302 122.658 120.300 0.093 0.000 2.040 291 Y HA -0.378 4.175 4.550 0.005 0.000 0.275 291 Y C 2.835 178.763 175.900 0.047 0.000 1.171 291 Y CA 2.812 61.005 58.100 0.155 0.000 1.123 291 Y CB -0.732 37.989 38.460 0.435 0.000 0.963 291 Y HN 0.427 nan 8.280 nan 0.000 0.493 292 T N -2.804 111.826 114.554 0.127 0.000 3.007 292 T HA -0.013 4.340 4.350 0.005 0.000 0.270 292 T C 1.847 176.585 174.700 0.064 0.000 1.107 292 T CA 0.870 62.950 62.100 -0.033 0.000 1.118 292 T CB -0.883 68.030 68.868 0.076 0.000 0.889 292 T HN 0.444 nan 8.240 nan 0.000 0.506 293 G N 0.018 108.939 108.800 0.201 0.000 3.088 293 G HA2 0.438 4.401 3.960 0.005 0.000 0.212 293 G HA3 0.438 4.401 3.960 0.005 0.000 0.212 293 G C 1.189 176.349 174.900 0.432 0.000 1.173 293 G CA -0.089 45.252 45.100 0.402 0.000 0.779 293 G HN 1.108 nan 8.290 nan 0.000 0.540 294 G N -1.124 107.714 108.800 0.064 0.000 2.176 294 G HA2 -0.053 3.910 3.960 0.005 0.000 0.253 294 G HA3 -0.053 3.910 3.960 0.005 0.000 0.253 294 G C 0.815 175.264 174.900 -0.751 0.000 0.979 294 G CA 0.227 45.222 45.100 -0.174 0.000 0.641 294 G HN 1.077 nan 8.290 nan 0.000 0.530 295 G N -0.590 107.617 108.800 -0.988 0.000 2.544 295 G HA2 0.554 4.517 3.960 0.005 0.000 0.242 295 G HA3 0.554 4.517 3.960 0.005 0.000 0.242 295 G C 0.939 175.315 174.900 -0.872 0.000 1.247 295 G CA 1.170 45.288 45.100 -1.636 0.000 0.840 295 G HN 1.359 nan 8.290 nan 0.000 0.578 296 T N -2.772 111.299 114.554 -0.806 0.000 3.186 296 T HA 0.327 4.680 4.350 0.005 0.000 0.292 296 T C -0.044 174.474 174.700 -0.303 0.000 0.915 296 T CA -0.111 61.761 62.100 -0.381 0.000 0.902 296 T CB 0.228 68.959 68.868 -0.227 0.000 1.192 296 T HN 0.380 nan 8.240 nan 0.000 0.563 297 V N 1.976 121.535 119.914 -0.591 0.000 2.531 297 V HA 0.601 4.724 4.120 0.005 0.000 0.301 297 V C -1.694 174.096 176.094 -0.508 0.000 1.034 297 V CA -1.073 61.022 62.300 -0.341 0.000 0.865 297 V CB 1.444 33.124 31.823 -0.239 0.000 0.995 297 V HN 0.451 nan 8.190 nan 0.000 0.424 298 Y N 3.419 123.707 120.300 -0.020 0.000 2.361 298 Y HA 0.645 5.198 4.550 0.005 0.000 0.337 298 Y C 0.170 175.950 175.900 -0.199 0.000 0.965 298 Y CA -0.562 57.476 58.100 -0.103 0.000 1.091 298 Y CB 1.952 40.484 38.460 0.122 0.000 1.182 298 Y HN 0.608 nan 8.280 nan 0.000 0.450 299 N N 1.952 120.422 118.700 -0.383 0.000 2.405 299 N HA 0.642 5.385 4.740 0.005 0.000 0.285 299 N C -1.954 173.015 175.510 -0.901 0.000 1.262 299 N CA -0.965 51.874 53.050 -0.350 0.000 0.773 299 N CB 1.697 40.096 38.487 -0.148 0.000 1.490 299 N HN 0.421 nan 8.380 nan 0.000 0.486 300 F N -0.222 119.749 119.950 0.036 0.000 2.641 300 F HA 0.452 4.982 4.527 0.005 0.000 0.308 300 F C 0.028 175.888 175.800 0.100 0.000 1.105 300 F CA -0.601 57.441 58.000 0.069 0.000 0.964 300 F CB 1.990 41.035 39.000 0.075 0.000 1.294 300 F HN 0.263 nan 8.300 nan 0.000 0.442 301 E N -0.043 120.328 120.200 0.286 0.000 2.446 301 E HA 0.410 4.763 4.350 0.005 0.000 0.276 301 E C -1.665 175.043 176.600 0.179 0.000 0.969 301 E CA -1.041 55.502 56.400 0.239 0.000 0.800 301 E CB 2.835 32.710 29.700 0.292 0.000 1.341 301 E HN 0.641 nan 8.360 nan 0.000 0.460 302 C N 1.187 120.469 119.300 -0.030 0.000 2.499 302 C HA 0.458 4.921 4.460 0.005 0.000 0.386 302 C C 1.706 176.503 174.990 -0.321 0.000 1.293 302 C CA 0.143 58.983 59.018 -0.297 0.000 1.884 302 C CB -0.847 26.230 27.740 -1.104 0.000 2.509 302 C HN 0.861 nan 8.230 nan 0.000 0.566 303 A N 4.631 127.270 122.820 -0.301 0.000 2.076 303 A HA 0.050 4.373 4.320 0.005 0.000 0.220 303 A C 2.251 179.544 177.584 -0.485 0.000 1.160 303 A CA 1.966 53.888 52.037 -0.192 0.000 0.653 303 A CB -0.601 18.492 19.000 0.157 0.000 0.801 303 A HN 1.435 nan 8.150 nan 0.000 0.455 304 A N -1.654 120.540 122.820 -1.044 0.000 1.972 304 A HA -0.084 4.239 4.320 0.005 0.000 0.219 304 A C 2.077 179.525 177.584 -0.228 0.000 1.169 304 A CA 1.733 53.255 52.037 -0.857 0.000 0.635 304 A CB -0.537 17.892 19.000 -0.952 0.000 0.810 304 A HN 0.727 nan 8.150 nan 0.000 0.446 305 Y N 0.829 120.973 120.300 -0.261 0.000 2.301 305 Y HA -0.013 4.540 4.550 0.005 0.000 0.295 305 Y C 2.645 178.551 175.900 0.009 0.000 1.126 305 Y CA 1.840 59.905 58.100 -0.058 0.000 1.154 305 Y CB -0.435 37.989 38.460 -0.061 0.000 1.075 305 Y HN 0.342 nan 8.280 nan 0.000 0.534 306 T N -2.379 112.128 114.554 -0.078 0.000 3.081 306 T HA 0.011 4.364 4.350 0.005 0.000 0.255 306 T C 1.139 175.854 174.700 0.025 0.000 1.113 306 T CA 0.807 62.837 62.100 -0.116 0.000 1.082 306 T CB -0.264 68.621 68.868 0.028 0.000 0.939 306 T HN 0.294 nan 8.240 nan 0.000 0.506 307 F N 0.331 120.143 119.950 -0.231 0.000 1.965 307 F HA 0.693 5.223 4.527 0.005 0.000 0.237 307 F C -0.427 175.147 175.800 -0.377 0.000 1.132 307 F CA -0.908 56.841 58.000 -0.419 0.000 1.272 307 F CB 1.044 39.834 39.000 -0.350 0.000 1.657 307 F HN 0.126 nan 8.300 nan 0.000 0.525 308 M N 0.683 119.979 119.600 -0.506 0.000 2.449 308 M HA 0.396 4.879 4.480 0.005 0.000 0.291 308 M C -1.959 174.136 176.300 -0.341 0.000 1.148 308 M CA -0.202 54.733 55.300 -0.609 0.000 0.925 308 M CB 1.989 33.891 32.600 -1.163 0.000 1.767 308 M HN 0.362 nan 8.290 nan 0.000 0.503 309 T N -0.419 113.996 114.554 -0.232 0.000 2.893 309 T HA 0.530 4.883 4.350 0.005 0.000 0.293 309 T C -0.171 174.473 174.700 -0.094 0.000 1.027 309 T CA -0.588 61.443 62.100 -0.116 0.000 0.988 309 T CB 1.433 70.253 68.868 -0.079 0.000 1.043 309 T HN 0.819 nan 8.240 nan 0.000 0.461 310 N N 1.811 120.486 118.700 -0.041 0.000 2.721 310 N HA -0.173 4.570 4.740 0.005 0.000 0.249 310 N C -0.203 175.268 175.510 -0.066 0.000 1.072 310 N CA 1.443 54.469 53.050 -0.040 0.000 0.710 310 N CB -1.285 37.178 38.487 -0.041 0.000 0.993 310 N HN 0.938 nan 8.380 nan 0.000 0.547 311 D N -2.630 117.714 120.400 -0.092 0.000 2.983 311 D HA -0.169 4.474 4.640 0.005 0.000 0.225 311 D C -0.525 175.684 176.300 -0.152 0.000 1.174 311 D CA 1.018 54.944 54.000 -0.123 0.000 0.831 311 D CB -1.145 39.620 40.800 -0.059 0.000 1.104 311 D HN 0.333 nan 8.370 nan 0.000 0.421 312 V N 0.761 120.573 119.914 -0.171 0.000 2.311 312 V HA 0.320 4.443 4.120 0.005 0.000 0.275 312 V C -1.935 174.022 176.094 -0.228 0.000 1.022 312 V CA -1.442 60.756 62.300 -0.169 0.000 0.830 312 V CB 1.616 33.354 31.823 -0.141 0.000 1.012 312 V HN -0.135 nan 8.190 nan 0.000 0.452 313 P HA 0.168 nan 4.420 nan 0.000 0.268 313 P C 0.287 177.486 177.300 -0.168 0.000 1.205 313 P CA 0.139 63.102 63.100 -0.228 0.000 0.771 313 P CB 0.389 32.055 31.700 -0.057 0.000 0.858 314 T N 0.232 114.695 114.554 -0.152 0.000 2.874 314 T HA 0.304 4.657 4.350 0.005 0.000 0.281 314 T C -1.943 172.635 174.700 -0.203 0.000 0.994 314 T CA -1.951 60.017 62.100 -0.220 0.000 1.015 314 T CB 0.491 69.287 68.868 -0.120 0.000 1.028 314 T HN 0.123 nan 8.240 nan 0.000 0.523 315 P HA -0.000 nan 4.420 nan 0.000 0.218 315 P C 1.618 178.891 177.300 -0.045 0.000 1.148 315 P CA 1.282 64.268 63.100 -0.190 0.000 0.822 315 P CB -0.277 31.346 31.700 -0.128 0.000 0.784 316 A N -1.368 121.425 122.820 -0.045 0.000 1.933 316 A HA -0.213 4.110 4.320 0.005 0.000 0.218 316 A C 2.067 179.567 177.584 -0.140 0.000 1.175 316 A CA 1.377 53.308 52.037 -0.177 0.000 0.628 316 A CB -1.713 16.846 19.000 -0.736 0.000 0.814 316 A HN 0.126 nan 8.150 nan 0.000 0.444 317 F N 1.515 121.319 119.950 -0.242 0.000 2.074 317 F HA -0.126 4.404 4.527 0.005 0.000 0.293 317 F C 2.872 178.569 175.800 -0.172 0.000 1.116 317 F CA 2.431 60.313 58.000 -0.197 0.000 1.212 317 F CB -0.827 38.124 39.000 -0.082 0.000 0.998 317 F HN 0.320 nan 8.300 nan 0.000 0.471 318 T N -2.235 112.215 114.554 -0.173 0.000 2.867 318 T HA -0.115 4.237 4.350 0.005 0.000 0.268 318 T C 1.712 176.219 174.700 -0.321 0.000 1.057 318 T CA 1.414 63.348 62.100 -0.277 0.000 1.136 318 T CB -0.324 68.448 68.868 -0.161 0.000 0.874 318 T HN 0.301 nan 8.240 nan 0.000 0.466 319 K N -0.135 120.062 120.400 -0.339 0.000 2.402 319 K HA 0.364 4.687 4.320 0.005 0.000 0.204 319 K C 1.808 178.260 176.600 -0.247 0.000 1.056 319 K CA 0.265 56.285 56.287 -0.446 0.000 1.069 319 K CB 0.927 32.824 32.500 -1.006 0.000 0.888 319 K HN 0.435 nan 8.250 nan 0.000 0.546 320 G N 0.754 109.468 108.800 -0.143 0.000 2.732 320 G HA2 0.051 4.014 3.960 0.005 0.000 0.206 320 G HA3 0.051 4.014 3.960 0.005 0.000 0.206 320 G C 1.254 176.106 174.900 -0.080 0.000 1.253 320 G CA -0.150 44.932 45.100 -0.030 0.000 0.796 320 G HN -0.039 nan 8.290 nan 0.000 0.616 321 I N 1.297 121.725 120.570 -0.236 0.000 2.193 321 I HA -0.057 4.116 4.170 0.005 0.000 0.240 321 I C 2.583 178.547 176.117 -0.256 0.000 1.084 321 I CA 0.579 61.690 61.300 -0.315 0.000 1.365 321 I CB -0.095 37.527 38.000 -0.631 0.000 1.064 321 I HN 0.048 nan 8.210 nan 0.000 0.410 322 I N 0.981 121.285 120.570 -0.443 0.000 2.208 322 I HA -0.182 3.991 4.170 0.005 0.000 0.245 322 I C -0.135 175.897 176.117 -0.141 0.000 1.097 322 I CA 2.110 63.198 61.300 -0.352 0.000 1.363 322 I CB -2.583 35.102 38.000 -0.525 0.000 1.051 322 I HN 0.136 nan 8.210 nan 0.000 0.413 323 P HA -0.183 nan 4.420 nan 0.000 0.217 323 P C 1.969 179.275 177.300 0.011 0.000 1.150 323 P CA 1.365 64.442 63.100 -0.038 0.000 0.832 323 P CB -0.140 31.555 31.700 -0.008 0.000 0.787 324 F N -1.467 118.461 119.950 -0.036 0.000 2.206 324 F HA -0.054 4.475 4.527 0.005 0.000 0.298 324 F C 2.088 177.815 175.800 -0.122 0.000 1.090 324 F CA 0.906 58.863 58.000 -0.073 0.000 1.323 324 F CB -0.603 38.307 39.000 -0.150 0.000 1.028 324 F HN -0.222 nan 8.300 nan 0.000 0.492 325 F N 1.199 121.024 119.950 -0.208 0.000 2.171 325 F HA -0.130 4.400 4.527 0.005 0.000 0.300 325 F C 2.431 178.050 175.800 -0.302 0.000 1.090 325 F CA 1.562 59.381 58.000 -0.301 0.000 1.293 325 F CB -0.481 38.384 39.000 -0.224 0.000 1.013 325 F HN -0.196 nan 8.300 nan 0.000 0.486 326 R N -1.224 119.131 120.500 -0.242 0.000 2.091 326 R HA -0.243 4.100 4.340 0.005 0.000 0.238 326 R C 2.178 178.246 176.300 -0.386 0.000 1.136 326 R CA 1.733 57.660 56.100 -0.288 0.000 0.959 326 R CB -0.929 29.277 30.300 -0.157 0.000 0.856 326 R HN 0.399 nan 8.270 nan 0.000 0.437 327 H N 0.546 119.307 119.070 -0.514 0.000 2.319 327 H HA -0.108 4.451 4.556 0.005 0.000 0.297 327 H C 1.829 176.770 175.328 -0.645 0.000 1.097 327 H CA 2.078 57.767 56.048 -0.598 0.000 1.285 327 H CB -0.097 29.159 29.762 -0.844 0.000 1.368 327 H HN 0.269 nan 8.280 nan 0.000 0.495 328 A N 0.097 122.440 122.820 -0.796 0.000 1.969 328 A HA -0.038 4.285 4.320 0.005 0.000 0.218 328 A C 2.495 179.762 177.584 -0.528 0.000 1.169 328 A CA 1.366 53.054 52.037 -0.581 0.000 0.635 328 A CB -0.588 18.141 19.000 -0.452 0.000 0.810 328 A HN 0.521 nan 8.150 nan 0.000 0.445 329 I N -0.817 119.316 120.570 -0.727 0.000 2.286 329 I HA -0.263 3.910 4.170 0.005 0.000 0.245 329 I C 2.656 178.494 176.117 -0.465 0.000 1.104 329 I CA 1.340 62.213 61.300 -0.711 0.000 1.397 329 I CB -0.332 37.189 38.000 -0.799 0.000 1.072 329 I HN 0.376 nan 8.210 nan 0.000 0.417 330 Q N 0.390 119.937 119.800 -0.422 0.000 2.245 330 Q HA 0.034 4.377 4.340 0.005 0.000 0.201 330 Q C 0.005 175.829 176.000 -0.293 0.000 0.955 330 Q CA 0.675 56.288 55.803 -0.316 0.000 0.870 330 Q CB 0.177 28.738 28.738 -0.295 0.000 0.945 330 Q HN 0.473 nan 8.270 nan 0.000 0.461 331 N N 1.274 119.754 118.700 -0.367 0.000 2.682 331 N HA 0.274 5.017 4.740 0.005 0.000 0.252 331 N C -2.842 172.618 175.510 -0.084 0.000 1.081 331 N CA -1.301 51.599 53.050 -0.251 0.000 0.844 331 N CB 1.692 39.929 38.487 -0.416 0.000 1.167 331 N HN -0.085 nan 8.380 nan 0.000 0.523 332 P HA -0.061 nan 4.420 nan 0.000 0.264 332 P C 0.013 177.285 177.300 -0.048 0.000 1.183 332 P CA 0.179 63.257 63.100 -0.037 0.000 0.763 332 P CB 0.531 32.205 31.700 -0.043 0.000 0.807 333 A N 6.245 128.967 122.820 -0.163 0.000 2.475 333 A HA 0.224 4.547 4.320 0.005 0.000 0.239 333 A C -1.968 175.444 177.584 -0.286 0.000 1.087 333 A CA -0.790 50.900 52.037 -0.579 0.000 0.779 333 A CB -1.439 17.229 19.000 -0.554 0.000 1.036 333 A HN 0.421 nan 8.150 nan 0.000 0.506 334 P HA 0.080 nan 4.420 nan 0.000 0.262 334 P C 0.171 177.512 177.300 0.068 0.000 1.182 334 P CA 0.347 63.400 63.100 -0.077 0.000 0.761 334 P CB 0.396 32.063 31.700 -0.055 0.000 0.795 335 S N 2.806 118.561 115.700 0.092 0.000 2.608 335 S HA 0.110 4.583 4.470 0.005 0.000 0.261 335 S C 1.400 176.140 174.600 0.233 0.000 1.314 335 S CA -0.404 57.903 58.200 0.178 0.000 0.992 335 S CB 0.677 63.927 63.200 0.083 0.000 0.935 335 S HN 0.460 nan 8.310 nan 0.000 0.564 336 K N 1.065 121.575 120.400 0.184 0.000 2.074 336 K HA -0.201 4.122 4.320 0.005 0.000 0.209 336 K C 2.191 178.669 176.600 -0.204 0.000 1.048 336 K CA 1.905 58.029 56.287 -0.271 0.000 0.926 336 K CB -0.357 31.843 32.500 -0.499 0.000 0.713 336 K HN 0.856 nan 8.250 nan 0.000 0.444 337 E N 0.622 120.753 120.200 -0.115 0.000 2.150 337 E HA -0.221 4.132 4.350 0.005 0.000 0.193 337 E C 1.503 178.066 176.600 -0.063 0.000 0.985 337 E CA 1.281 57.615 56.400 -0.109 0.000 0.814 337 E CB -0.249 29.401 29.700 -0.082 0.000 0.752 337 E HN 0.485 nan 8.360 nan 0.000 0.466 338 E N 0.868 121.054 120.200 -0.023 0.000 2.077 338 E HA -0.109 4.244 4.350 0.005 0.000 0.193 338 E C 2.343 178.936 176.600 -0.011 0.000 0.989 338 E CA 1.429 57.821 56.400 -0.014 0.000 0.800 338 E CB 0.037 29.734 29.700 -0.005 0.000 0.746 338 E HN 0.104 nan 8.360 nan 0.000 0.452 339 V N 0.848 120.779 119.914 0.028 0.000 2.295 339 V HA -0.233 3.890 4.120 0.005 0.000 0.246 339 V C 2.359 178.494 176.094 0.068 0.000 1.049 339 V CA 1.292 63.630 62.300 0.064 0.000 1.024 339 V CB -0.441 31.509 31.823 0.211 0.000 0.648 339 V HN 0.131 nan 8.190 nan 0.000 0.447 340 V N 0.831 120.742 119.914 -0.005 0.000 2.282 340 V HA -0.282 3.841 4.120 0.005 0.000 0.249 340 V C 2.292 178.431 176.094 0.075 0.000 1.057 340 V CA 2.324 64.627 62.300 0.006 0.000 1.032 340 V CB -0.830 30.830 31.823 -0.271 0.000 0.645 340 V HN 0.585 nan 8.190 nan 0.000 0.447 341 N N 0.329 119.034 118.700 0.008 0.000 2.396 341 N HA -0.116 4.627 4.740 0.005 0.000 0.180 341 N C 1.863 177.390 175.510 0.027 0.000 1.028 341 N CA 1.118 54.175 53.050 0.012 0.000 0.893 341 N CB -0.299 38.178 38.487 -0.016 0.000 0.967 341 N HN 0.666 nan 8.380 nan 0.000 0.440 342 R N -0.016 120.497 120.500 0.020 0.000 2.297 342 R HA 0.119 4.461 4.340 0.005 0.000 0.197 342 R C -0.192 176.175 176.300 0.112 0.000 0.943 342 R CA 0.292 56.405 56.100 0.022 0.000 1.038 342 R CB -0.303 29.926 30.300 -0.117 0.000 0.957 342 R HN -0.198 nan 8.270 nan 0.000 0.484 343 T N 2.299 116.945 114.554 0.152 0.000 2.737 343 T HA 0.181 4.534 4.350 0.005 0.000 0.296 343 T C 0.416 175.177 174.700 0.103 0.000 0.922 343 T CA -0.520 61.714 62.100 0.224 0.000 1.079 343 T CB 1.506 70.531 68.868 0.261 0.000 0.892 343 T HN 0.092 nan 8.240 nan 0.000 0.514 344 K N 1.462 121.845 120.400 -0.027 0.000 2.323 344 K HA 0.398 4.721 4.320 0.005 0.000 0.197 344 K C 0.679 177.249 176.600 -0.050 0.000 1.043 344 K CA 0.140 56.282 56.287 -0.242 0.000 0.997 344 K CB 0.552 32.558 32.500 -0.823 0.000 0.807 344 K HN 0.637 nan 8.250 nan 0.000 0.497 345 A N 0.750 123.659 122.820 0.149 0.000 2.594 345 A HA 0.588 4.911 4.320 0.005 0.000 0.295 345 A C -0.892 176.753 177.584 0.101 0.000 1.071 345 A CA -0.735 51.401 52.037 0.164 0.000 0.685 345 A CB 1.532 20.720 19.000 0.313 0.000 1.285 345 A HN -0.065 nan 8.150 nan 0.000 0.405 346 V N -1.233 118.671 119.914 -0.016 0.000 3.001 346 V HA 0.890 5.013 4.120 0.005 0.000 0.314 346 V C -0.819 175.324 176.094 0.082 0.000 1.099 346 V CA -0.937 61.326 62.300 -0.060 0.000 0.989 346 V CB 1.736 33.334 31.823 -0.374 0.000 1.040 346 V HN 1.185 nan 8.190 nan 0.000 0.434 347 F N 3.868 123.804 119.950 -0.024 0.000 2.388 347 F HA 0.680 5.210 4.527 0.005 0.000 0.358 347 F C -0.743 175.079 175.800 0.037 0.000 1.122 347 F CA -0.672 57.302 58.000 -0.042 0.000 1.056 347 F CB 1.205 40.053 39.000 -0.254 0.000 1.155 347 F HN 0.846 nan 8.300 nan 0.000 0.461 348 W N 7.700 128.648 121.300 -0.588 0.000 2.361 348 W HA 0.344 5.007 4.660 0.005 0.000 0.309 348 W C 0.198 176.416 176.519 -0.502 0.000 1.122 348 W CA -1.035 56.082 57.345 -0.380 0.000 1.208 348 W CB 0.799 30.094 29.460 -0.276 0.000 1.246 348 W HN 0.449 nan 8.180 nan 0.000 0.490 349 N N 2.819 121.253 118.700 -0.444 0.000 2.575 349 N HA -0.002 4.741 4.740 0.005 0.000 0.192 349 N C 1.792 176.768 175.510 -0.891 0.000 1.200 349 N CA 0.875 53.647 53.050 -0.465 0.000 0.897 349 N CB 0.038 38.355 38.487 -0.282 0.000 0.990 349 N HN 0.742 nan 8.380 nan 0.000 0.449 350 G N -0.097 107.591 108.800 -1.854 0.000 2.534 350 G HA2 -0.134 3.829 3.960 0.005 0.000 0.217 350 G HA3 -0.134 3.829 3.960 0.005 0.000 0.217 350 G C 0.669 174.969 174.900 -0.999 0.000 1.128 350 G CA 0.276 44.185 45.100 -1.984 0.000 0.784 350 G HN 0.346 nan 8.290 nan 0.000 0.542 351 E N -0.249 119.534 120.200 -0.696 0.000 3.385 351 E HA 0.460 4.813 4.350 0.005 0.000 0.206 351 E C 0.248 176.708 176.600 -0.233 0.000 0.997 351 E CA -0.107 56.083 56.400 -0.350 0.000 1.278 351 E CB 0.834 30.395 29.700 -0.232 0.000 1.165 351 E HN 0.337 nan 8.360 nan 0.000 0.452 352 G N 1.401 110.059 108.800 -0.236 0.000 2.697 352 G HA2 -0.112 3.851 3.960 0.005 0.000 0.684 352 G HA3 -0.112 3.851 3.960 0.005 0.000 0.684 352 G C -0.973 173.893 174.900 -0.058 0.000 1.274 352 G CA -1.183 43.847 45.100 -0.116 0.000 0.806 352 G HN 0.101 nan 8.290 nan 0.000 0.644 353 R N 0.921 121.403 120.500 -0.031 0.000 2.598 353 R HA 0.613 4.955 4.340 0.005 0.000 0.279 353 R C 1.485 177.778 176.300 -0.011 0.000 0.984 353 R CA -0.923 55.172 56.100 -0.008 0.000 0.999 353 R CB 1.441 31.705 30.300 -0.059 0.000 1.114 353 R HN 0.475 nan 8.270 nan 0.000 0.493 354 I N 1.551 122.078 120.570 -0.073 0.000 2.423 354 I HA -0.264 3.909 4.170 0.005 0.000 0.254 354 I C 1.777 177.809 176.117 -0.142 0.000 1.151 354 I CA 1.676 62.779 61.300 -0.329 0.000 1.421 354 I CB -0.128 37.607 38.000 -0.442 0.000 1.079 354 I HN 0.769 nan 8.210 nan 0.000 0.431 355 S N -0.778 114.904 115.700 -0.031 0.000 2.469 355 S HA -0.145 4.327 4.470 0.005 0.000 0.238 355 S C 1.859 176.475 174.600 0.028 0.000 0.998 355 S CA 1.038 59.267 58.200 0.048 0.000 0.957 355 S CB -1.036 62.239 63.200 0.126 0.000 0.764 355 S HN 0.634 nan 8.310 nan 0.000 0.514 356 S N 0.296 115.990 115.700 -0.010 0.000 2.577 356 S HA 0.382 4.855 4.470 0.005 0.000 0.219 356 S C 0.379 174.965 174.600 -0.024 0.000 0.962 356 S CA -0.612 57.582 58.200 -0.010 0.000 0.921 356 S CB -0.400 62.794 63.200 -0.010 0.000 0.789 356 S HN 0.484 nan 8.310 nan 0.000 0.497 357 L N 2.383 123.571 121.223 -0.058 0.000 2.599 357 L HA 0.463 4.806 4.340 0.005 0.000 0.241 357 L C 0.082 176.944 176.870 -0.014 0.000 1.207 357 L CA -0.522 54.284 54.840 -0.058 0.000 0.987 357 L CB 0.373 42.336 42.059 -0.160 0.000 1.318 357 L HN 0.077 nan 8.230 nan 0.000 0.458 358 N N 1.142 119.851 118.700 0.015 0.000 2.550 358 N HA -0.037 4.706 4.740 0.005 0.000 0.186 358 N C 1.679 177.222 175.510 0.055 0.000 1.110 358 N CA 0.526 53.605 53.050 0.047 0.000 0.912 358 N CB 0.314 38.825 38.487 0.041 0.000 0.968 358 N HN 0.517 nan 8.380 nan 0.000 0.448 359 G N -1.108 107.711 108.800 0.031 0.000 3.383 359 G HA2 -0.039 3.924 3.960 0.005 0.000 0.251 359 G HA3 -0.039 3.924 3.960 0.005 0.000 0.251 359 G C 0.835 175.715 174.900 -0.033 0.000 1.203 359 G CA -0.496 44.613 45.100 0.015 0.000 0.852 359 G HN 0.165 nan 8.290 nan 0.000 0.531 360 F N 0.739 120.556 119.950 -0.222 0.000 2.126 360 F HA -0.104 4.426 4.527 0.005 0.000 0.299 360 F C 1.893 177.379 175.800 -0.523 0.000 1.096 360 F CA 1.354 59.085 58.000 -0.448 0.000 1.255 360 F CB 0.121 38.675 39.000 -0.743 0.000 0.997 360 F HN 0.275 nan 8.300 nan 0.000 0.479 361 Y N -0.052 120.130 120.300 -0.198 0.000 2.546 361 Y HA 0.072 4.625 4.550 0.005 0.000 0.287 361 Y C 1.023 176.736 175.900 -0.313 0.000 1.158 361 Y CA -0.172 57.689 58.100 -0.397 0.000 1.307 361 Y CB -0.697 37.561 38.460 -0.336 0.000 1.036 361 Y HN -0.062 nan 8.280 nan 0.000 0.532 362 Q N 0.366 120.106 119.800 -0.099 0.000 2.330 362 Q HA 0.123 4.466 4.340 0.005 0.000 0.279 362 Q C 1.436 177.363 176.000 -0.120 0.000 1.024 362 Q CA 1.134 56.899 55.803 -0.064 0.000 0.900 362 Q CB 0.759 29.472 28.738 -0.042 0.000 1.221 362 Q HN 0.656 nan 8.270 nan 0.000 0.396 363 G N 1.806 110.575 108.800 -0.050 0.000 2.257 363 G HA2 -0.312 3.651 3.960 0.005 0.000 0.267 363 G HA3 -0.312 3.651 3.960 0.005 0.000 0.267 363 G C 0.626 175.492 174.900 -0.056 0.000 0.984 363 G CA 0.806 45.877 45.100 -0.048 0.000 0.626 363 G HN 0.527 nan 8.290 nan 0.000 0.540 364 L N -2.279 118.865 121.223 -0.131 0.000 2.471 364 L HA 0.390 4.733 4.340 0.005 0.000 0.186 364 L C 1.895 178.903 176.870 0.229 0.000 1.191 364 L CA 1.319 56.052 54.840 -0.179 0.000 0.835 364 L CB -0.055 41.650 42.059 -0.589 0.000 1.092 364 L HN 0.541 nan 8.230 nan 0.000 0.495 365 Y N -3.529 116.847 120.300 0.127 0.000 2.861 365 Y HA 0.453 5.006 4.550 0.005 0.000 0.284 365 Y C -0.088 176.007 175.900 0.325 0.000 1.006 365 Y CA -0.804 57.448 58.100 0.253 0.000 1.245 365 Y CB 0.093 38.700 38.460 0.246 0.000 1.415 365 Y HN -0.052 nan 8.280 nan 0.000 0.586 366 S N 0.810 116.655 115.700 0.241 0.000 2.736 366 S HA 0.381 4.854 4.470 0.005 0.000 0.285 366 S C -0.530 174.169 174.600 0.163 0.000 1.163 366 S CA -0.567 57.801 58.200 0.281 0.000 1.025 366 S CB 0.523 63.886 63.200 0.272 0.000 1.030 366 S HN 0.452 nan 8.310 nan 0.000 0.486 367 N N 2.684 121.480 118.700 0.160 0.000 2.463 367 N HA 0.067 4.810 4.740 0.005 0.000 0.181 367 N C -0.702 174.864 175.510 0.093 0.000 1.078 367 N CA 0.202 53.317 53.050 0.109 0.000 0.902 367 N CB 0.276 38.827 38.487 0.106 0.000 0.970 367 N HN 0.505 nan 8.380 nan 0.000 0.451 368 D N 0.036 120.498 120.400 0.103 0.000 2.337 368 D HA 0.071 4.714 4.640 0.005 0.000 0.238 368 D C -0.281 176.061 176.300 0.071 0.000 1.331 368 D CA -0.244 53.802 54.000 0.078 0.000 0.967 368 D CB 0.538 41.383 40.800 0.074 0.000 1.382 368 D HN -0.046 nan 8.370 nan 0.000 0.549 369 E N 0.660 120.900 120.200 0.067 0.000 2.516 369 E HA -0.067 4.286 4.350 0.005 0.000 0.199 369 E C 1.509 178.143 176.600 0.057 0.000 1.069 369 E CA 0.745 57.179 56.400 0.057 0.000 0.876 369 E CB 0.320 30.057 29.700 0.062 0.000 0.843 369 E HN 0.577 nan 8.360 nan 0.000 0.530 370 T N -1.622 112.956 114.554 0.040 0.000 3.055 370 T HA 0.005 4.358 4.350 0.005 0.000 0.265 370 T C 0.911 175.621 174.700 0.017 0.000 1.111 370 T CA 0.443 62.554 62.100 0.019 0.000 1.118 370 T CB 0.193 69.047 68.868 -0.023 0.000 0.909 370 T HN -0.126 nan 8.240 nan 0.000 0.501 371 M N 0.978 120.596 119.600 0.031 0.000 2.619 371 M HA 0.402 4.885 4.480 0.005 0.000 0.297 371 M C -2.242 174.059 176.300 0.002 0.000 1.229 371 M CA -2.624 52.698 55.300 0.037 0.000 0.860 371 M CB 1.912 34.552 32.600 0.066 0.000 1.741 371 M HN -0.236 nan 8.290 nan 0.000 0.462 372 P HA 0.141 nan 4.420 nan 0.000 0.230 372 P C 0.166 177.283 177.300 -0.306 0.000 1.168 372 P CA 0.591 63.612 63.100 -0.131 0.000 0.793 372 P CB 0.560 32.220 31.700 -0.067 0.000 0.851 373 L N 0.080 121.201 121.223 -0.171 0.000 2.426 373 L HA 0.143 4.486 4.340 0.005 0.000 0.271 373 L C 0.510 177.344 176.870 -0.060 0.000 1.169 373 L CA -0.506 54.240 54.840 -0.158 0.000 0.836 373 L CB -0.294 41.726 42.059 -0.066 0.000 1.112 373 L HN -0.098 nan 8.230 nan 0.000 0.465 374 Y N 1.699 122.130 120.300 0.220 0.000 2.320 374 Y HA 0.191 4.743 4.550 0.005 0.000 0.324 374 Y C 1.346 177.449 175.900 0.338 0.000 1.190 374 Y CA -0.830 57.424 58.100 0.256 0.000 1.215 374 Y CB 0.674 39.259 38.460 0.208 0.000 1.221 374 Y HN 0.497 nan 8.280 nan 0.000 0.486 375 N N 0.918 119.970 118.700 0.587 0.000 2.333 375 N HA -0.093 4.650 4.740 0.005 0.000 0.178 375 N C -0.198 175.653 175.510 0.568 0.000 1.018 375 N CA 0.693 54.038 53.050 0.493 0.000 0.882 375 N CB 0.278 38.985 38.487 0.366 0.000 0.984 375 N HN 0.485 nan 8.380 nan 0.000 0.434 376 N N -0.783 118.291 118.700 0.623 0.000 2.225 376 N HA 0.276 5.019 4.740 0.005 0.000 0.298 376 N C -0.054 175.632 175.510 0.294 0.000 1.076 376 N CA -0.312 52.998 53.050 0.433 0.000 0.792 376 N CB 1.960 40.677 38.487 0.383 0.000 1.498 376 N HN 0.007 nan 8.380 nan 0.000 0.474 377 G N 1.203 109.946 108.800 -0.095 0.000 3.126 377 G HA2 -0.012 3.951 3.960 0.005 0.000 0.224 377 G HA3 -0.012 3.951 3.960 0.005 0.000 0.224 377 G C 1.183 175.888 174.900 -0.325 0.000 1.142 377 G CA -0.112 44.806 45.100 -0.304 0.000 0.759 377 G HN 0.614 nan 8.290 nan 0.000 0.550 378 R N -0.327 119.982 120.500 -0.318 0.000 2.117 378 R HA -0.137 4.206 4.340 0.005 0.000 0.243 378 R C 0.967 176.735 176.300 -0.887 0.000 1.143 378 R CA 1.495 57.239 56.100 -0.594 0.000 0.968 378 R CB -0.164 29.616 30.300 -0.867 0.000 0.863 378 R HN 0.493 nan 8.270 nan 0.000 0.444 379 Y N -0.861 119.132 120.300 -0.512 0.000 2.481 379 Y HA 0.254 4.807 4.550 0.005 0.000 0.247 379 Y C 0.285 175.851 175.900 -0.557 0.000 1.151 379 Y CA -0.332 57.267 58.100 -0.836 0.000 1.238 379 Y CB 0.032 38.120 38.460 -0.621 0.000 1.179 379 Y HN 0.044 nan 8.280 nan 0.000 0.524 380 H N -0.530 118.413 119.070 -0.212 0.000 1.452 380 H HA -0.245 4.314 4.556 0.005 0.000 0.090 380 H C 0.068 175.158 175.328 -0.397 0.000 2.539 380 H CA 0.784 56.732 56.048 -0.166 0.000 1.901 380 H CB -0.991 28.776 29.762 0.008 0.000 2.257 380 H HN 0.118 nan 8.280 nan 0.000 0.961 381 I N 1.844 122.384 120.570 -0.050 0.000 2.436 381 I HA 0.015 4.188 4.170 0.005 0.000 0.289 381 I C 0.800 177.000 176.117 0.138 0.000 1.083 381 I CA 0.143 61.410 61.300 -0.055 0.000 1.372 381 I CB 0.086 38.145 38.000 0.099 0.000 1.408 381 I HN 0.099 nan 8.210 nan 0.000 0.516 382 L N 9.608 131.003 121.223 0.286 0.000 2.369 382 L HA 0.222 4.565 4.340 0.005 0.000 0.279 382 L C -2.061 174.955 176.870 0.243 0.000 1.108 382 L CA -1.639 53.392 54.840 0.318 0.000 0.852 382 L CB 0.158 42.486 42.059 0.448 0.000 1.169 382 L HN 0.299 nan 8.230 nan 0.000 0.452 383 P HA 0.037 nan 4.420 nan 0.000 0.268 383 P C -0.759 176.584 177.300 0.072 0.000 1.204 383 P CA -0.120 63.022 63.100 0.070 0.000 0.768 383 P CB 0.849 32.558 31.700 0.015 0.000 0.842 384 V N 5.517 125.458 119.914 0.046 0.000 2.370 384 V HA 0.268 4.391 4.120 0.005 0.000 0.283 384 V C 0.262 176.399 176.094 0.071 0.000 1.023 384 V CA -0.527 61.822 62.300 0.081 0.000 0.857 384 V CB 1.057 32.896 31.823 0.027 0.000 0.985 384 V HN 0.374 nan 8.190 nan 0.000 0.443 385 I N 4.306 124.978 120.570 0.171 0.000 2.359 385 I HA 0.345 4.518 4.170 0.005 0.000 0.294 385 I C 0.478 176.809 176.117 0.357 0.000 0.987 385 I CA -0.444 61.013 61.300 0.261 0.000 1.225 385 I CB 0.977 39.142 38.000 0.275 0.000 1.366 385 I HN 0.630 nan 8.210 nan 0.000 0.466 386 H N 6.062 125.288 119.070 0.260 0.000 2.771 386 H HA 0.022 4.581 4.556 0.005 0.000 0.364 386 H C 1.060 176.531 175.328 0.238 0.000 1.133 386 H CA 0.382 56.566 56.048 0.227 0.000 1.423 386 H CB 1.343 31.310 29.762 0.341 0.000 1.425 386 H HN 0.725 nan 8.280 nan 0.000 0.606 387 E N 3.037 123.082 120.200 -0.257 0.000 2.267 387 E HA -0.170 4.183 4.350 0.005 0.000 0.197 387 E C 0.895 177.592 176.600 0.162 0.000 0.998 387 E CA 0.772 57.073 56.400 -0.166 0.000 0.830 387 E CB 0.114 29.583 29.700 -0.386 0.000 0.751 387 E HN 0.382 nan 8.360 nan 0.000 0.491 388 K N 0.485 121.051 120.400 0.277 0.000 2.432 388 K HA 0.078 4.401 4.320 0.005 0.000 0.196 388 K C 0.613 177.303 176.600 0.150 0.000 1.038 388 K CA 0.167 56.450 56.287 -0.007 0.000 0.986 388 K CB 0.202 32.301 32.500 -0.669 0.000 0.782 388 K HN 0.244 nan 8.250 nan 0.000 0.485 389 I N 3.096 123.870 120.570 0.341 0.000 2.352 389 I HA 0.031 4.204 4.170 0.005 0.000 0.290 389 I C 0.120 176.381 176.117 0.241 0.000 1.036 389 I CA -0.807 60.673 61.300 0.301 0.000 1.336 389 I CB 0.286 38.452 38.000 0.277 0.000 1.407 389 I HN -0.103 nan 8.210 nan 0.000 0.497 390 D N 5.689 126.159 120.400 0.117 0.000 2.382 390 D HA 0.016 4.659 4.640 0.005 0.000 0.240 390 D C 1.144 177.237 176.300 -0.344 0.000 1.146 390 D CA -0.067 53.929 54.000 -0.006 0.000 0.897 390 D CB 1.241 42.048 40.800 0.012 0.000 1.197 390 D HN 0.414 nan 8.370 nan 0.000 0.432 391 K N 0.776 120.809 120.400 -0.611 0.000 2.097 391 K HA -0.204 4.119 4.320 0.005 0.000 0.206 391 K C 1.383 177.755 176.600 -0.379 0.000 1.049 391 K CA 1.259 57.058 56.287 -0.814 0.000 0.933 391 K CB 0.139 32.182 32.500 -0.761 0.000 0.717 391 K HN 0.247 nan 8.250 nan 0.000 0.442 392 E N 0.548 120.616 120.200 -0.220 0.000 2.118 392 E HA -0.205 4.148 4.350 0.005 0.000 0.195 392 E C 1.700 178.233 176.600 -0.112 0.000 0.992 392 E CA 1.289 57.612 56.400 -0.128 0.000 0.804 392 E CB 0.024 29.677 29.700 -0.077 0.000 0.741 392 E HN 0.052 nan 8.360 nan 0.000 0.458 393 K N 0.501 120.834 120.400 -0.113 0.000 2.057 393 K HA -0.043 4.280 4.320 0.005 0.000 0.206 393 K C 1.739 178.294 176.600 -0.075 0.000 1.050 393 K CA 1.117 57.357 56.287 -0.079 0.000 0.935 393 K CB -0.340 32.134 32.500 -0.042 0.000 0.715 393 K HN 0.150 nan 8.250 nan 0.000 0.439 394 I N 0.136 120.635 120.570 -0.117 0.000 2.163 394 I HA -0.294 3.879 4.170 0.005 0.000 0.243 394 I C 1.989 178.137 176.117 0.050 0.000 1.085 394 I CA 1.363 62.655 61.300 -0.013 0.000 1.347 394 I CB -0.356 37.529 38.000 -0.192 0.000 1.044 394 I HN 0.076 nan 8.210 nan 0.000 0.408 395 S N -0.015 115.656 115.700 -0.049 0.000 2.382 395 S HA -0.202 4.270 4.470 0.005 0.000 0.228 395 S C 2.172 176.761 174.600 -0.018 0.000 1.027 395 S CA 1.740 59.926 58.200 -0.024 0.000 0.991 395 S CB -0.281 62.883 63.200 -0.059 0.000 0.823 395 S HN 0.461 nan 8.310 nan 0.000 0.469 396 S N 0.974 116.645 115.700 -0.048 0.000 2.368 396 S HA 0.034 4.507 4.470 0.005 0.000 0.224 396 S C 1.737 176.271 174.600 -0.110 0.000 1.029 396 S CA 0.835 58.993 58.200 -0.070 0.000 0.988 396 S CB -0.308 62.846 63.200 -0.077 0.000 0.838 396 S HN 0.470 nan 8.310 nan 0.000 0.462 397 I N -0.560 119.922 120.570 -0.147 0.000 2.333 397 I HA 0.036 4.209 4.170 0.005 0.000 0.246 397 I C -0.017 175.822 176.117 -0.462 0.000 1.106 397 I CA 0.849 61.930 61.300 -0.366 0.000 1.411 397 I CB 0.015 37.706 38.000 -0.515 0.000 1.082 397 I HN 0.208 nan 8.210 nan 0.000 0.420 398 F N 1.246 121.153 119.950 -0.071 0.000 2.542 398 F HA 0.315 4.845 4.527 0.005 0.000 0.323 398 F C -1.605 174.167 175.800 -0.048 0.000 1.411 398 F CA -1.803 56.166 58.000 -0.052 0.000 1.124 398 F CB 0.066 39.044 39.000 -0.036 0.000 1.331 398 F HN -0.119 nan 8.300 nan 0.000 0.560 399 P HA -0.135 nan 4.420 nan 0.000 0.221 399 P C 0.245 177.571 177.300 0.044 0.000 1.145 399 P CA 1.472 64.594 63.100 0.038 0.000 0.795 399 P CB 0.231 31.930 31.700 -0.001 0.000 0.775 400 N N -0.771 117.965 118.700 0.060 0.000 2.280 400 N HA 0.206 4.949 4.740 0.005 0.000 0.192 400 N C 0.450 175.986 175.510 0.044 0.000 1.109 400 N CA -0.297 52.777 53.050 0.040 0.000 0.855 400 N CB 0.166 38.668 38.487 0.025 0.000 0.974 400 N HN 0.090 nan 8.380 nan 0.000 0.482 401 A N 1.054 123.919 122.820 0.075 0.000 2.310 401 A HA 0.372 4.695 4.320 0.005 0.000 0.299 401 A C 0.082 177.682 177.584 0.027 0.000 1.147 401 A CA -0.432 51.627 52.037 0.037 0.000 0.818 401 A CB 0.618 19.617 19.000 -0.002 0.000 1.096 401 A HN 0.076 nan 8.150 nan 0.000 0.495 402 K N 1.949 122.376 120.400 0.046 0.000 2.368 402 K HA 0.328 4.651 4.320 0.005 0.000 0.282 402 K C -0.871 175.762 176.600 0.056 0.000 1.035 402 K CA 0.367 56.707 56.287 0.088 0.000 0.973 402 K CB -0.024 32.597 32.500 0.202 0.000 0.957 402 K HN 0.496 nan 8.250 nan 0.000 0.474 403 I N 6.689 127.274 120.570 0.025 0.000 2.291 403 I HA 0.163 4.336 4.170 0.005 0.000 0.290 403 I C -0.251 175.874 176.117 0.014 0.000 1.050 403 I CA -0.551 60.743 61.300 -0.010 0.000 1.245 403 I CB 0.386 38.349 38.000 -0.061 0.000 1.405 403 I HN 0.409 nan 8.210 nan 0.000 0.478 404 L N 6.496 127.730 121.223 0.018 0.000 2.350 404 L HA 0.500 4.843 4.340 0.005 0.000 0.275 404 L C 0.632 177.325 176.870 -0.294 0.000 1.099 404 L CA -0.182 54.652 54.840 -0.011 0.000 0.808 404 L CB 1.556 43.729 42.059 0.190 0.000 1.149 404 L HN 0.645 nan 8.230 nan 0.000 0.442 405 T N -2.024 112.357 114.554 -0.288 0.000 2.864 405 T HA 0.261 4.614 4.350 0.005 0.000 0.289 405 T C 0.571 175.131 174.700 -0.232 0.000 1.082 405 T CA -0.893 60.890 62.100 -0.529 0.000 1.009 405 T CB 1.722 70.441 68.868 -0.248 0.000 1.234 405 T HN 0.562 nan 8.240 nan 0.000 0.526 406 K N -0.084 120.237 120.400 -0.132 0.000 2.280 406 K HA -0.027 4.296 4.320 0.005 0.000 0.202 406 K C 0.951 177.578 176.600 0.044 0.000 1.047 406 K CA 1.147 57.510 56.287 0.127 0.000 0.942 406 K CB -0.167 32.401 32.500 0.113 0.000 0.739 406 K HN 0.446 nan 8.250 nan 0.000 0.457 407 N N 0.411 119.098 118.700 -0.022 0.000 2.322 407 N HA 0.024 4.767 4.740 0.005 0.000 0.194 407 N C -0.714 174.782 175.510 -0.022 0.000 1.126 407 N CA 0.129 53.166 53.050 -0.020 0.000 0.845 407 N CB 0.701 39.167 38.487 -0.036 0.000 0.976 407 N HN -0.053 nan 8.380 nan 0.000 0.475 408 S N 1.424 117.112 115.700 -0.021 0.000 2.515 408 S HA 0.015 4.487 4.470 0.005 0.000 0.285 408 S C 1.314 175.884 174.600 -0.049 0.000 1.265 408 S CA -0.216 57.959 58.200 -0.041 0.000 1.079 408 S CB 1.058 64.233 63.200 -0.043 0.000 0.877 408 S HN 0.183 nan 8.310 nan 0.000 0.493 409 E N 3.188 123.346 120.200 -0.070 0.000 2.171 409 E HA -0.200 4.152 4.350 0.005 0.000 0.197 409 E C 1.425 177.967 176.600 -0.096 0.000 0.997 409 E CA 1.271 57.630 56.400 -0.068 0.000 0.810 409 E CB -0.012 29.648 29.700 -0.067 0.000 0.738 409 E HN 0.654 nan 8.360 nan 0.000 0.467 410 E N 0.577 120.665 120.200 -0.187 0.000 2.265 410 E HA -0.094 4.259 4.350 0.005 0.000 0.196 410 E C 1.969 178.505 176.600 -0.107 0.000 0.996 410 E CA 0.370 56.599 56.400 -0.286 0.000 0.832 410 E CB -0.169 29.031 29.700 -0.833 0.000 0.756 410 E HN 0.232 nan 8.360 nan 0.000 0.491 411 L N 0.836 122.036 121.223 -0.038 0.000 2.549 411 L HA -0.098 4.245 4.340 0.005 0.000 0.229 411 L C 2.124 179.002 176.870 0.014 0.000 1.158 411 L CA 0.920 55.779 54.840 0.032 0.000 0.842 411 L CB -0.587 41.527 42.059 0.091 0.000 0.952 411 L HN 0.241 nan 8.230 nan 0.000 0.452 412 S N -0.861 114.838 115.700 -0.003 0.000 2.402 412 S HA -0.104 4.369 4.470 0.005 0.000 0.229 412 S C 1.223 175.826 174.600 0.005 0.000 1.021 412 S CA 0.730 58.929 58.200 -0.001 0.000 0.974 412 S CB -0.230 62.967 63.200 -0.006 0.000 0.800 412 S HN 0.444 nan 8.310 nan 0.000 0.484 413 S N 0.272 115.982 115.700 0.017 0.000 2.112 413 S HA 0.460 4.933 4.470 0.005 0.000 0.151 413 S C 0.385 175.023 174.600 0.063 0.000 1.723 413 S CA -0.802 57.418 58.200 0.034 0.000 1.263 413 S CB 1.157 64.386 63.200 0.047 0.000 1.194 413 S HN 0.435 nan 8.310 nan 0.000 0.419 414 K N 1.439 121.853 120.400 0.022 0.000 2.020 414 K HA -0.114 4.209 4.320 0.005 0.000 0.212 414 K C 1.400 178.004 176.600 0.007 0.000 1.050 414 K CA 2.095 58.388 56.287 0.010 0.000 0.929 414 K CB -0.410 32.023 32.500 -0.113 0.000 0.714 414 K HN 0.454 nan 8.250 nan 0.000 0.443 415 V N 2.086 121.976 119.914 -0.039 0.000 2.307 415 V HA -0.228 3.895 4.120 0.005 0.000 0.245 415 V C 2.046 178.172 176.094 0.053 0.000 1.045 415 V CA 1.932 64.211 62.300 -0.034 0.000 1.024 415 V CB -0.717 31.083 31.823 -0.038 0.000 0.651 415 V HN 0.409 nan 8.190 nan 0.000 0.449 416 N N -0.503 118.240 118.700 0.071 0.000 2.104 416 N HA -0.208 4.535 4.740 0.005 0.000 0.190 416 N C 1.739 177.324 175.510 0.125 0.000 1.024 416 N CA 1.774 54.878 53.050 0.091 0.000 0.853 416 N CB -0.523 38.014 38.487 0.084 0.000 1.008 416 N HN 0.632 nan 8.380 nan 0.000 0.424 417 Y N 1.455 121.784 120.300 0.049 0.000 2.114 417 Y HA -0.034 4.519 4.550 0.005 0.000 0.284 417 Y C 2.204 178.173 175.900 0.115 0.000 1.143 417 Y CA 1.282 59.423 58.100 0.068 0.000 1.135 417 Y CB -0.555 37.940 38.460 0.057 0.000 0.980 417 Y HN -0.036 nan 8.280 nan 0.000 0.499 418 L N 0.212 121.457 121.223 0.037 0.000 2.083 418 L HA -0.267 4.076 4.340 0.005 0.000 0.209 418 L C 1.977 178.982 176.870 0.225 0.000 1.083 418 L CA 1.373 56.269 54.840 0.093 0.000 0.752 418 L CB -0.637 41.471 42.059 0.081 0.000 0.899 418 L HN 0.245 nan 8.230 nan 0.000 0.433 419 N N -0.414 118.405 118.700 0.197 0.000 2.364 419 N HA -0.157 4.586 4.740 0.005 0.000 0.183 419 N C 2.032 177.586 175.510 0.074 0.000 1.022 419 N CA 1.481 54.644 53.050 0.189 0.000 0.883 419 N CB -0.274 38.298 38.487 0.141 0.000 0.965 419 N HN 0.379 nan 8.380 nan 0.000 0.438 420 S N -0.440 115.246 115.700 -0.024 0.000 2.481 420 S HA 0.065 4.537 4.470 0.005 0.000 0.231 420 S C 1.729 176.260 174.600 -0.115 0.000 0.996 420 S CA 0.405 58.560 58.200 -0.074 0.000 0.942 420 S CB -0.169 62.971 63.200 -0.100 0.000 0.768 420 S HN 0.246 nan 8.310 nan 0.000 0.520 421 L N -1.604 119.536 121.223 -0.138 0.000 2.388 421 L HA 0.367 4.710 4.340 0.005 0.000 0.209 421 L C -0.068 176.674 176.870 -0.213 0.000 1.061 421 L CA 0.224 54.946 54.840 -0.197 0.000 0.834 421 L CB -0.056 41.837 42.059 -0.276 0.000 1.029 421 L HN 0.238 nan 8.230 nan 0.000 0.473 422 Y N 1.843 122.155 120.300 0.019 0.000 2.402 422 Y HA 0.335 4.888 4.550 0.005 0.000 0.332 422 Y C -2.116 173.759 175.900 -0.041 0.000 0.960 422 Y CA -2.892 55.211 58.100 0.006 0.000 1.228 422 Y CB 0.573 39.042 38.460 0.015 0.000 1.120 422 Y HN -0.102 nan 8.280 nan 0.000 0.491 423 P HA -0.002 nan 4.420 nan 0.000 0.269 423 P C -0.546 176.769 177.300 0.025 0.000 1.215 423 P CA -0.467 62.661 63.100 0.046 0.000 0.780 423 P CB 1.077 32.804 31.700 0.045 0.000 0.898 424 K N 2.246 122.649 120.400 0.004 0.000 2.339 424 K HA 0.165 4.488 4.320 0.005 0.000 0.286 424 K C 0.621 177.249 176.600 0.047 0.000 1.050 424 K CA -0.152 56.118 56.287 -0.029 0.000 0.956 424 K CB -0.063 32.401 32.500 -0.060 0.000 0.990 424 K HN 0.424 nan 8.250 nan 0.000 0.475 425 L N 4.810 126.115 121.223 0.135 0.000 2.701 425 L HA 0.185 4.528 4.340 0.005 0.000 0.238 425 L C -0.134 177.023 176.870 0.477 0.000 1.106 425 L CA -0.515 54.539 54.840 0.356 0.000 0.898 425 L CB -0.043 42.333 42.059 0.528 0.000 1.188 425 L HN 0.667 nan 8.230 nan 0.000 0.508 426 Y N -2.906 117.453 120.300 0.098 0.000 2.670 426 Y HA 0.682 5.235 4.550 0.005 0.000 0.334 426 Y C -0.966 174.909 175.900 -0.043 0.000 1.185 426 Y CA -1.329 56.754 58.100 -0.029 0.000 1.053 426 Y CB 1.070 39.387 38.460 -0.239 0.000 1.298 426 Y HN -0.265 nan 8.280 nan 0.000 0.459 427 E N 0.798 120.980 120.200 -0.030 0.000 2.235 427 E HA 0.684 5.037 4.350 0.005 0.000 0.265 427 E C -0.082 176.528 176.600 0.016 0.000 0.940 427 E CA 0.001 56.343 56.400 -0.097 0.000 0.819 427 E CB 1.744 31.424 29.700 -0.035 0.000 1.206 427 E HN 1.196 nan 8.360 nan 0.000 0.409 428 G N 1.642 110.429 108.800 -0.022 0.000 2.434 428 G HA2 -0.136 3.827 3.960 0.005 0.000 0.671 428 G HA3 -0.136 3.827 3.960 0.005 0.000 0.671 428 G C -0.504 174.437 174.900 0.069 0.000 1.280 428 G CA 0.011 45.142 45.100 0.053 0.000 0.975 428 G HN 0.565 nan 8.290 nan 0.000 0.510 429 D N -0.557 119.909 120.400 0.109 0.000 2.433 429 D HA 0.389 5.032 4.640 0.005 0.000 0.211 429 D C 1.297 177.712 176.300 0.190 0.000 1.114 429 D CA 1.041 55.117 54.000 0.126 0.000 0.837 429 D CB -0.090 40.763 40.800 0.089 0.000 0.984 429 D HN 0.938 nan 8.370 nan 0.000 0.505 430 G N -0.168 108.762 108.800 0.216 0.000 2.616 430 G HA2 0.287 4.250 3.960 0.005 0.000 0.268 430 G HA3 0.287 4.250 3.960 0.005 0.000 0.268 430 G C -1.122 173.951 174.900 0.287 0.000 1.213 430 G CA -0.732 44.502 45.100 0.222 0.000 0.926 430 G HN 0.230 nan 8.290 nan 0.000 0.523 431 Y N 0.454 120.801 120.300 0.078 0.000 2.327 431 Y HA 0.543 5.096 4.550 0.005 0.000 0.336 431 Y C 0.071 175.803 175.900 -0.280 0.000 1.035 431 Y CA -0.530 57.541 58.100 -0.048 0.000 1.165 431 Y CB 0.764 39.066 38.460 -0.265 0.000 1.181 431 Y HN 0.644 nan 8.280 nan 0.000 0.494 432 A N 6.676 128.870 122.820 -1.043 0.000 2.455 432 A HA 0.537 4.860 4.320 0.005 0.000 0.300 432 A C -1.618 175.515 177.584 -0.752 0.000 1.040 432 A CA -0.820 50.586 52.037 -1.053 0.000 0.697 432 A CB 1.718 19.860 19.000 -1.431 0.000 1.265 432 A HN 0.749 nan 8.150 nan 0.000 0.407 433 Q N 1.147 120.767 119.800 -0.300 0.000 2.304 433 Q HA 0.563 4.906 4.340 0.005 0.000 0.270 433 Q C -0.899 175.206 176.000 0.175 0.000 1.035 433 Q CA -0.868 54.901 55.803 -0.057 0.000 0.781 433 Q CB 1.720 30.437 28.738 -0.035 0.000 1.261 433 Q HN 0.710 nan 8.270 nan 0.000 0.444 434 R N 2.392 122.860 120.500 -0.054 0.000 2.234 434 R HA 0.418 4.761 4.340 0.005 0.000 0.324 434 R C -1.568 174.702 176.300 -0.049 0.000 1.054 434 R CA -0.023 55.840 56.100 -0.395 0.000 0.912 434 R CB 0.995 30.835 30.300 -0.768 0.000 1.030 434 R HN 0.363 nan 8.270 nan 0.000 0.455 435 V N 6.219 126.122 119.914 -0.019 0.000 2.340 435 V HA 0.477 4.600 4.120 0.005 0.000 0.277 435 V C 1.022 177.108 176.094 -0.012 0.000 1.017 435 V CA 0.106 62.442 62.300 0.060 0.000 0.820 435 V CB 0.553 32.478 31.823 0.169 0.000 1.028 435 V HN 1.067 nan 8.190 nan 0.000 0.436 436 G N 5.287 114.034 108.800 -0.088 0.000 2.629 436 G HA2 -0.353 3.610 3.960 0.005 0.000 0.313 436 G HA3 -0.353 3.610 3.960 0.005 0.000 0.313 436 G C 0.660 175.436 174.900 -0.208 0.000 1.217 436 G CA 0.712 45.746 45.100 -0.110 0.000 0.994 436 G HN 1.031 nan 8.290 nan 0.000 0.549 437 N N 1.256 119.876 118.700 -0.133 0.000 2.322 437 N HA 0.323 5.066 4.740 0.005 0.000 0.216 437 N C 0.133 175.559 175.510 -0.140 0.000 1.144 437 N CA 0.914 53.865 53.050 -0.166 0.000 0.830 437 N CB 0.489 38.935 38.487 -0.068 0.000 1.034 437 N HN 0.523 nan 8.380 nan 0.000 0.484 438 S N -0.333 115.287 115.700 -0.132 0.000 2.599 438 S HA 0.493 4.966 4.470 0.005 0.000 0.287 438 S C -1.278 173.246 174.600 -0.126 0.000 1.105 438 S CA -0.789 57.380 58.200 -0.051 0.000 0.899 438 S CB 1.246 64.519 63.200 0.121 0.000 1.100 438 S HN 0.302 nan 8.310 nan 0.000 0.482 439 W N 1.298 122.567 121.300 -0.051 0.000 2.478 439 W HA 0.559 5.222 4.660 0.005 0.000 0.318 439 W C -1.104 175.305 176.519 -0.184 0.000 1.062 439 W CA -0.536 56.777 57.345 -0.053 0.000 1.210 439 W CB 0.813 30.228 29.460 -0.075 0.000 1.325 439 W HN 0.564 nan 8.180 nan 0.000 0.496 440 Y N 4.083 124.573 120.300 0.317 0.000 2.328 440 Y HA 0.605 5.157 4.550 0.005 0.000 0.337 440 Y C -0.013 175.987 175.900 0.167 0.000 0.966 440 Y CA -0.736 57.527 58.100 0.271 0.000 1.136 440 Y CB 0.954 39.608 38.460 0.323 0.000 1.170 440 Y HN 0.095 nan 8.280 nan 0.000 0.470 441 I N 4.711 125.439 120.570 0.264 0.000 2.686 441 I HA 0.463 4.636 4.170 0.005 0.000 0.295 441 I C -1.304 175.028 176.117 0.358 0.000 1.114 441 I CA -1.006 60.384 61.300 0.150 0.000 1.038 441 I CB 2.017 40.037 38.000 0.033 0.000 1.238 441 I HN 0.483 nan 8.210 nan 0.000 0.420 442 Y N 2.683 123.227 120.300 0.407 0.000 2.656 442 Y HA 0.505 5.058 4.550 0.005 0.000 0.334 442 Y C -1.199 174.848 175.900 0.246 0.000 1.179 442 Y CA -1.655 56.628 58.100 0.305 0.000 1.050 442 Y CB 0.629 39.253 38.460 0.273 0.000 1.308 442 Y HN 0.497 nan 8.280 nan 0.000 0.456 443 N N 0.988 119.961 118.700 0.456 0.000 2.430 443 N HA 0.108 4.851 4.740 0.005 0.000 0.265 443 N C 0.434 176.159 175.510 0.359 0.000 1.100 443 N CA 0.626 53.863 53.050 0.312 0.000 0.961 443 N CB 1.438 40.019 38.487 0.158 0.000 1.075 443 N HN 0.836 nan 8.380 nan 0.000 0.478 444 S N 2.113 118.034 115.700 0.368 0.000 2.593 444 S HA 0.117 4.590 4.470 0.005 0.000 0.217 444 S C 0.090 174.809 174.600 0.197 0.000 0.966 444 S CA -0.421 57.985 58.200 0.343 0.000 0.914 444 S CB -0.229 63.206 63.200 0.391 0.000 0.776 444 S HN 0.453 nan 8.310 nan 0.000 0.523 445 N N 2.309 121.095 118.700 0.143 0.000 2.402 445 N HA 0.459 5.202 4.740 0.005 0.000 0.252 445 N C 0.969 176.567 175.510 0.146 0.000 1.118 445 N CA 0.348 53.468 53.050 0.116 0.000 0.945 445 N CB 1.371 39.900 38.487 0.070 0.000 1.147 445 N HN 0.379 nan 8.380 nan 0.000 0.495 446 A N 2.827 125.773 122.820 0.210 0.000 1.897 446 A HA -0.085 4.238 4.320 0.005 0.000 0.215 446 A C 1.315 179.189 177.584 0.482 0.000 1.181 446 A CA 1.293 53.541 52.037 0.352 0.000 0.620 446 A CB 0.031 19.214 19.000 0.306 0.000 0.821 446 A HN 0.590 nan 8.150 nan 0.000 0.443 447 N N -1.158 117.699 118.700 0.261 0.000 2.471 447 N HA 0.232 4.975 4.740 0.005 0.000 0.270 447 N C -1.394 174.287 175.510 0.286 0.000 1.490 447 N CA -0.146 53.019 53.050 0.191 0.000 0.850 447 N CB 0.459 38.670 38.487 -0.459 0.000 1.411 447 N HN 0.134 nan 8.380 nan 0.000 0.488 448 I N 0.904 121.652 120.570 0.297 0.000 2.498 448 I HA 0.306 4.479 4.170 0.005 0.000 0.290 448 I C -0.187 175.857 176.117 -0.121 0.000 1.032 448 I CA -0.661 60.688 61.300 0.081 0.000 1.073 448 I CB 1.854 39.867 38.000 0.020 0.000 1.251 448 I HN 0.032 nan 8.210 nan 0.000 0.426 449 N N 6.830 125.184 118.700 -0.577 0.000 3.034 449 N HA 0.148 4.891 4.740 0.005 0.000 0.265 449 N C -0.968 174.317 175.510 -0.374 0.000 1.166 449 N CA 0.075 52.599 53.050 -0.877 0.000 1.081 449 N CB 0.147 37.741 38.487 -1.489 0.000 1.378 449 N HN 0.315 nan 8.380 nan 0.000 0.520 450 K N 1.518 121.798 120.400 -0.199 0.000 2.482 450 K HA 0.332 4.655 4.320 0.005 0.000 0.251 450 K C -0.785 175.784 176.600 -0.051 0.000 0.936 450 K CA -0.793 55.432 56.287 -0.104 0.000 0.791 450 K CB 1.366 33.828 32.500 -0.064 0.000 1.213 450 K HN 0.255 nan 8.250 nan 0.000 0.428 451 N N 1.601 120.281 118.700 -0.032 0.000 2.503 451 N HA 0.194 4.937 4.740 0.005 0.000 0.267 451 N C -0.413 175.112 175.510 0.025 0.000 1.214 451 N CA -0.011 53.039 53.050 0.001 0.000 0.959 451 N CB 0.722 39.211 38.487 0.004 0.000 1.142 451 N HN 0.295 nan 8.380 nan 0.000 0.455 452 Q N 0.749 120.578 119.800 0.049 0.000 2.433 452 Q HA 0.528 4.871 4.340 0.005 0.000 0.279 452 Q C -1.098 174.938 176.000 0.061 0.000 1.105 452 Q CA -0.886 54.958 55.803 0.068 0.000 0.815 452 Q CB 1.938 30.740 28.738 0.107 0.000 1.403 452 Q HN 0.378 nan 8.270 nan 0.000 0.435 453 Q N 0.288 120.124 119.800 0.060 0.000 2.394 453 Q HA 0.663 5.006 4.340 0.005 0.000 0.273 453 Q C -1.296 174.738 176.000 0.056 0.000 1.089 453 Q CA -0.776 55.053 55.803 0.043 0.000 0.812 453 Q CB 2.741 31.497 28.738 0.030 0.000 1.353 453 Q HN 0.501 nan 8.270 nan 0.000 0.438 454 V N -1.244 118.680 119.914 0.017 0.000 2.876 454 V HA 0.777 4.900 4.120 0.005 0.000 0.312 454 V C -0.978 175.093 176.094 -0.038 0.000 1.085 454 V CA -0.860 61.446 62.300 0.010 0.000 0.945 454 V CB 2.205 33.949 31.823 -0.132 0.000 1.017 454 V HN 0.813 nan 8.190 nan 0.000 0.428 455 M N 5.599 125.193 119.600 -0.010 0.000 2.085 455 M HA 0.582 5.065 4.480 0.005 0.000 0.309 455 M C -1.906 174.344 176.300 -0.084 0.000 0.947 455 M CA -0.595 54.680 55.300 -0.042 0.000 0.918 455 M CB 1.095 33.693 32.600 -0.003 0.000 1.504 455 M HN 0.836 nan 8.290 nan 0.000 0.420 456 L N 7.817 128.921 121.223 -0.198 0.000 2.277 456 L HA 0.467 4.810 4.340 0.005 0.000 0.284 456 L C -2.200 174.673 176.870 0.006 0.000 1.028 456 L CA -1.850 52.779 54.840 -0.352 0.000 0.835 456 L CB 1.236 42.752 42.059 -0.904 0.000 1.215 456 L HN 0.409 nan 8.230 nan 0.000 0.425 457 P HA 0.076 nan 4.420 nan 0.000 0.267 457 P C -0.518 177.019 177.300 0.395 0.000 1.200 457 P CA 0.157 63.375 63.100 0.196 0.000 0.772 457 P CB 0.535 32.313 31.700 0.130 0.000 0.855 458 M N 1.903 121.661 119.600 0.263 0.000 2.644 458 M HA 0.277 4.759 4.480 0.005 0.000 0.316 458 M C 0.369 176.801 176.300 0.221 0.000 1.200 458 M CA -0.354 55.181 55.300 0.392 0.000 0.944 458 M CB 1.088 33.861 32.600 0.288 0.000 1.691 458 M HN 0.427 nan 8.290 nan 0.000 0.471 459 Y N -0.468 119.897 120.300 0.109 0.000 2.467 459 Y HA 0.133 4.686 4.550 0.005 0.000 0.250 459 Y C 1.147 177.069 175.900 0.036 0.000 1.155 459 Y CA -0.344 57.786 58.100 0.050 0.000 1.249 459 Y CB 0.674 39.133 38.460 -0.000 0.000 1.146 459 Y HN 0.667 nan 8.280 nan 0.000 0.524 460 T N -3.015 111.646 114.554 0.178 0.000 2.907 460 T HA 0.169 4.521 4.350 0.005 0.000 0.290 460 T C 0.356 175.096 174.700 0.066 0.000 1.066 460 T CA -0.964 61.196 62.100 0.100 0.000 1.012 460 T CB 1.443 70.363 68.868 0.087 0.000 1.184 460 T HN 0.155 nan 8.240 nan 0.000 0.522 461 N N 0.351 119.070 118.700 0.031 0.000 2.362 461 N HA 0.039 4.782 4.740 0.005 0.000 0.204 461 N C 0.524 176.011 175.510 -0.039 0.000 1.166 461 N CA -0.140 52.911 53.050 0.002 0.000 0.831 461 N CB -0.946 37.536 38.487 -0.008 0.000 1.008 461 N HN 0.697 nan 8.380 nan 0.000 0.472 462 N N -0.748 117.936 118.700 -0.027 0.000 2.094 462 N HA -0.117 4.625 4.740 0.005 0.000 0.191 462 N C 0.170 175.570 175.510 -0.182 0.000 1.023 462 N CA 1.449 54.440 53.050 -0.098 0.000 0.857 462 N CB 0.019 38.514 38.487 0.012 0.000 1.013 462 N HN 0.267 nan 8.380 nan 0.000 0.426 463 T N -1.930 112.627 114.554 0.005 0.000 2.840 463 T HA 0.196 4.549 4.350 0.005 0.000 0.317 463 T C -0.006 174.750 174.700 0.093 0.000 1.401 463 T CA -0.820 61.331 62.100 0.084 0.000 1.028 463 T CB 1.757 70.768 68.868 0.239 0.000 1.317 463 T HN -0.095 nan 8.240 nan 0.000 0.495 464 K N 0.957 121.413 120.400 0.094 0.000 2.044 464 K HA 0.167 4.489 4.320 0.005 0.000 0.204 464 K C 0.510 177.165 176.600 0.091 0.000 1.049 464 K CA 1.040 57.371 56.287 0.073 0.000 0.945 464 K CB 0.009 32.542 32.500 0.055 0.000 0.724 464 K HN 0.643 nan 8.250 nan 0.000 0.440 465 S N -0.784 114.977 115.700 0.102 0.000 2.607 465 S HA 0.495 4.968 4.470 0.005 0.000 0.273 465 S C -1.278 173.379 174.600 0.095 0.000 1.148 465 S CA -1.123 57.134 58.200 0.095 0.000 0.833 465 S CB 1.761 64.997 63.200 0.060 0.000 1.130 465 S HN 0.156 nan 8.310 nan 0.000 0.470 466 L N 1.472 122.730 121.223 0.058 0.000 2.406 466 L HA 0.735 5.078 4.340 0.005 0.000 0.272 466 L C -1.016 175.834 176.870 -0.034 0.000 0.980 466 L CA -0.096 54.766 54.840 0.037 0.000 0.831 466 L CB 2.000 44.091 42.059 0.054 0.000 1.253 466 L HN 0.878 nan 8.230 nan 0.000 0.406 467 S N 4.847 120.538 115.700 -0.015 0.000 2.593 467 S HA 0.782 5.255 4.470 0.005 0.000 0.297 467 S C -0.795 173.785 174.600 -0.034 0.000 1.112 467 S CA -0.574 57.604 58.200 -0.037 0.000 1.043 467 S CB 1.820 65.013 63.200 -0.013 0.000 1.054 467 S HN 0.509 nan 8.310 nan 0.000 0.516 468 L N 1.763 122.962 121.223 -0.041 0.000 2.431 468 L HA 0.522 4.865 4.340 0.005 0.000 0.266 468 L C -1.325 175.545 176.870 0.000 0.000 0.978 468 L CA -0.743 54.085 54.840 -0.020 0.000 0.822 468 L CB 2.173 44.215 42.059 -0.029 0.000 1.310 468 L HN 0.499 nan 8.230 nan 0.000 0.409 469 D N 3.214 123.623 120.400 0.015 0.000 2.344 469 D HA 0.613 5.256 4.640 0.005 0.000 0.239 469 D C -1.329 174.996 176.300 0.042 0.000 1.064 469 D CA -0.069 53.946 54.000 0.026 0.000 0.829 469 D CB 1.275 42.088 40.800 0.021 0.000 1.129 469 D HN 0.265 nan 8.370 nan 0.000 0.506 470 L N 3.057 124.310 121.223 0.051 0.000 2.381 470 L HA 0.441 4.784 4.340 0.005 0.000 0.274 470 L C 0.825 177.727 176.870 0.053 0.000 0.988 470 L CA -0.945 53.935 54.840 0.067 0.000 0.824 470 L CB 1.927 44.041 42.059 0.092 0.000 1.263 470 L HN 0.390 nan 8.230 nan 0.000 0.410 471 T N 0.350 114.930 114.554 0.044 0.000 2.828 471 T HA 0.414 4.767 4.350 0.005 0.000 0.290 471 T C -2.478 172.228 174.700 0.011 0.000 1.019 471 T CA -1.668 60.445 62.100 0.023 0.000 1.031 471 T CB 0.746 69.629 68.868 0.025 0.000 1.001 471 T HN 0.196 nan 8.240 nan 0.000 0.531 472 P HA 0.099 nan 4.420 nan 0.000 0.266 472 P C -0.257 176.919 177.300 -0.207 0.000 1.193 472 P CA 0.449 63.428 63.100 -0.203 0.000 0.770 472 P CB -0.308 31.235 31.700 -0.262 0.000 0.836 473 H N -1.853 117.298 119.070 0.134 0.000 2.826 473 H HA -0.112 4.447 4.556 0.005 0.000 0.306 473 H C -0.602 174.779 175.328 0.089 0.000 1.235 473 H CA 0.390 56.491 56.048 0.089 0.000 1.150 473 H CB -2.592 27.198 29.762 0.046 0.000 1.409 473 H HN 0.286 nan 8.280 nan 0.000 0.420 474 T N 0.946 115.601 114.554 0.169 0.000 2.824 474 T HA 0.495 4.848 4.350 0.005 0.000 0.282 474 T C -0.361 174.495 174.700 0.260 0.000 0.993 474 T CA -0.833 61.352 62.100 0.141 0.000 0.967 474 T CB 1.248 70.174 68.868 0.097 0.000 0.960 474 T HN 0.382 nan 8.240 nan 0.000 0.441 475 Y N 0.882 121.292 120.300 0.184 0.000 2.562 475 Y HA 0.922 5.474 4.550 0.005 0.000 0.343 475 Y C -0.787 175.208 175.900 0.158 0.000 1.025 475 Y CA -1.784 56.452 58.100 0.226 0.000 1.082 475 Y CB 1.174 39.784 38.460 0.250 0.000 1.264 475 Y HN 0.793 nan 8.280 nan 0.000 0.478 476 A N 1.500 124.536 122.820 0.360 0.000 2.549 476 A HA 0.799 5.122 4.320 0.005 0.000 0.297 476 A C -2.091 175.582 177.584 0.148 0.000 1.061 476 A CA -0.795 51.337 52.037 0.159 0.000 0.690 476 A CB 1.609 20.643 19.000 0.056 0.000 1.287 476 A HN 0.850 nan 8.150 nan 0.000 0.402 477 V N 1.253 121.171 119.914 0.007 0.000 2.577 477 V HA 0.574 4.697 4.120 0.005 0.000 0.303 477 V C -0.753 175.287 176.094 -0.091 0.000 1.042 477 V CA -0.583 61.598 62.300 -0.198 0.000 0.872 477 V CB 1.653 33.246 31.823 -0.383 0.000 0.998 477 V HN 0.719 nan 8.190 nan 0.000 0.423 478 V N 4.448 124.327 119.914 -0.057 0.000 2.407 478 V HA 0.469 4.592 4.120 0.005 0.000 0.291 478 V C -0.101 176.037 176.094 0.072 0.000 1.018 478 V CA -0.776 61.554 62.300 0.049 0.000 0.842 478 V CB 1.644 33.543 31.823 0.127 0.000 0.996 478 V HN 0.868 nan 8.190 nan 0.000 0.426 479 K N 3.939 124.395 120.400 0.093 0.000 2.213 479 K HA 0.467 4.789 4.320 0.005 0.000 0.270 479 K C -0.301 176.356 176.600 0.095 0.000 1.002 479 K CA -0.482 55.859 56.287 0.091 0.000 0.868 479 K CB 1.168 33.735 32.500 0.111 0.000 1.093 479 K HN 0.712 nan 8.250 nan 0.000 0.454 480 E N 3.488 123.730 120.200 0.069 0.000 2.046 480 E HA 0.105 4.458 4.350 0.005 0.000 0.279 480 E C -0.863 175.768 176.600 0.051 0.000 0.989 480 E CA -0.364 56.080 56.400 0.073 0.000 0.798 480 E CB 0.890 30.637 29.700 0.078 0.000 1.086 480 E HN 0.545 nan 8.360 nan 0.000 0.399 481 N N 3.100 121.833 118.700 0.055 0.000 2.413 481 N HA 0.093 4.836 4.740 0.005 0.000 0.266 481 N C -1.725 173.807 175.510 0.036 0.000 1.238 481 N CA -1.417 51.656 53.050 0.038 0.000 0.972 481 N CB 0.616 39.125 38.487 0.037 0.000 1.210 481 N HN 0.156 nan 8.380 nan 0.000 0.547 482 P HA -0.140 nan 4.420 nan 0.000 0.216 482 P C -0.091 177.222 177.300 0.022 0.000 1.153 482 P CA 1.487 64.601 63.100 0.023 0.000 0.858 482 P CB 0.230 31.940 31.700 0.016 0.000 0.789 483 N N -1.689 117.024 118.700 0.022 0.000 2.240 483 N HA 0.101 4.844 4.740 0.005 0.000 0.240 483 N C -0.348 175.178 175.510 0.026 0.000 1.277 483 N CA -0.000 53.060 53.050 0.017 0.000 0.873 483 N CB 0.384 38.878 38.487 0.011 0.000 1.222 483 N HN 0.343 nan 8.380 nan 0.000 0.507 484 N N -0.627 118.097 118.700 0.039 0.000 2.708 484 N HA 0.389 5.132 4.740 0.005 0.000 0.257 484 N C -1.650 173.902 175.510 0.070 0.000 1.373 484 N CA -0.668 52.413 53.050 0.053 0.000 0.843 484 N CB 1.074 39.587 38.487 0.042 0.000 1.503 484 N HN -0.183 nan 8.380 nan 0.000 0.504 485 L N 0.322 121.591 121.223 0.077 0.000 2.329 485 L HA 0.460 4.803 4.340 0.005 0.000 0.279 485 L C -0.786 176.121 176.870 0.061 0.000 1.014 485 L CA -0.899 53.989 54.840 0.080 0.000 0.814 485 L CB 1.364 43.474 42.059 0.086 0.000 1.257 485 L HN 0.742 nan 8.230 nan 0.000 0.424 486 H N 3.183 122.260 119.070 0.012 0.000 2.481 486 H HA 0.638 5.197 4.556 0.005 0.000 0.333 486 H C -1.139 174.181 175.328 -0.014 0.000 1.066 486 H CA -0.293 55.749 56.048 -0.010 0.000 1.209 486 H CB 1.195 30.951 29.762 -0.010 0.000 1.445 486 H HN 0.414 nan 8.280 nan 0.000 0.488 487 I N 5.774 125.975 120.570 -0.616 0.000 2.436 487 I HA 0.195 4.368 4.170 0.005 0.000 0.289 487 I C -1.278 174.612 176.117 -0.378 0.000 1.010 487 I CA -0.906 60.203 61.300 -0.318 0.000 1.098 487 I CB 1.817 39.690 38.000 -0.213 0.000 1.266 487 I HN 0.420 nan 8.210 nan 0.000 0.434 488 L N 8.062 129.200 121.223 -0.141 0.000 2.313 488 L HA 0.661 5.004 4.340 0.005 0.000 0.283 488 L C -1.359 175.434 176.870 -0.129 0.000 1.013 488 L CA -0.163 54.620 54.840 -0.095 0.000 0.816 488 L CB 1.133 43.210 42.059 0.031 0.000 1.236 488 L HN 0.446 nan 8.230 nan 0.000 0.419 489 L N 5.136 126.237 121.223 -0.204 0.000 2.346 489 L HA 0.642 4.985 4.340 0.005 0.000 0.276 489 L C -0.569 176.137 176.870 -0.274 0.000 1.006 489 L CA -0.640 54.069 54.840 -0.219 0.000 0.817 489 L CB 1.872 43.781 42.059 -0.251 0.000 1.272 489 L HN 0.628 nan 8.230 nan 0.000 0.421 490 N N 2.000 120.442 118.700 -0.430 0.000 2.425 490 N HA 0.209 4.952 4.740 0.005 0.000 0.289 490 N C -1.201 174.161 175.510 -0.246 0.000 1.074 490 N CA -0.366 52.458 53.050 -0.376 0.000 0.905 490 N CB 1.777 39.886 38.487 -0.629 0.000 1.586 490 N HN 0.726 nan 8.380 nan 0.000 0.490 491 N N 2.746 121.418 118.700 -0.048 0.000 2.365 491 N HA 0.021 4.764 4.740 0.005 0.000 0.257 491 N C -0.787 174.736 175.510 0.020 0.000 1.287 491 N CA -0.350 52.667 53.050 -0.055 0.000 0.882 491 N CB -0.577 37.766 38.487 -0.240 0.000 1.250 491 N HN 0.370 nan 8.380 nan 0.000 0.507 492 Y N 2.419 122.698 120.300 -0.036 0.000 2.729 492 Y HA 0.160 4.713 4.550 0.005 0.000 0.331 492 Y C 0.180 176.090 175.900 0.017 0.000 1.208 492 Y CA 0.140 58.235 58.100 -0.009 0.000 1.521 492 Y CB 0.302 38.752 38.460 -0.018 0.000 1.233 492 Y HN 0.212 nan 8.280 nan 0.000 0.539 493 R N 4.583 124.812 120.500 -0.453 0.000 2.518 493 R HA 0.256 4.599 4.340 0.005 0.000 0.287 493 R C -1.031 175.025 176.300 -0.407 0.000 1.135 493 R CA -0.406 55.479 56.100 -0.357 0.000 0.967 493 R CB 0.813 31.023 30.300 -0.151 0.000 1.212 493 R HN 0.777 nan 8.270 nan 0.000 0.422 494 T N 0.063 114.389 114.554 -0.379 0.000 2.899 494 T HA 0.109 4.462 4.350 0.005 0.000 0.295 494 T C 0.177 174.828 174.700 -0.082 0.000 1.033 494 T CA -0.666 61.334 62.100 -0.167 0.000 1.084 494 T CB 1.269 70.173 68.868 0.060 0.000 0.979 494 T HN 0.474 nan 8.240 nan 0.000 0.532 495 D N 1.105 121.498 120.400 -0.012 0.000 2.371 495 D HA 0.153 4.796 4.640 0.005 0.000 0.256 495 D C 0.674 176.985 176.300 0.019 0.000 1.193 495 D CA -0.486 53.519 54.000 0.009 0.000 0.881 495 D CB 0.795 41.622 40.800 0.044 0.000 1.143 495 D HN 0.385 nan 8.370 nan 0.000 0.473 496 K N 2.547 122.948 120.400 0.002 0.000 2.404 496 K HA 0.050 4.373 4.320 0.005 0.000 0.194 496 K C 1.500 178.182 176.600 0.137 0.000 1.023 496 K CA 0.083 56.383 56.287 0.021 0.000 1.094 496 K CB -0.062 32.460 32.500 0.036 0.000 0.841 496 K HN 0.418 nan 8.250 nan 0.000 0.523 497 T N 1.536 116.161 114.554 0.119 0.000 2.684 497 T HA -0.181 4.172 4.350 0.005 0.000 0.267 497 T C 1.981 176.744 174.700 0.105 0.000 1.036 497 T CA 1.734 63.913 62.100 0.131 0.000 1.148 497 T CB -0.120 68.799 68.868 0.085 0.000 0.863 497 T HN 0.341 nan 8.240 nan 0.000 0.436 498 A N 1.468 124.347 122.820 0.100 0.000 1.908 498 A HA -0.112 4.211 4.320 0.005 0.000 0.218 498 A C 2.328 179.863 177.584 -0.081 0.000 1.181 498 A CA 2.011 54.114 52.037 0.109 0.000 0.627 498 A CB -0.769 18.385 19.000 0.257 0.000 0.818 498 A HN 0.541 nan 8.150 nan 0.000 0.445 499 M N -1.881 117.576 119.600 -0.240 0.000 2.117 499 M HA -0.169 4.314 4.480 0.005 0.000 0.262 499 M C 1.901 177.755 176.300 -0.744 0.000 1.065 499 M CA 1.767 56.552 55.300 -0.860 0.000 1.114 499 M CB -0.197 31.910 32.600 -0.821 0.000 1.361 499 M HN 0.594 nan 8.290 nan 0.000 0.408 500 W N -0.035 121.074 121.300 -0.318 0.000 2.595 500 W HA 0.039 4.703 4.660 0.006 0.000 0.257 500 W C 2.303 178.723 176.519 -0.165 0.000 1.267 500 W CA 0.801 58.009 57.345 -0.228 0.000 1.300 500 W CB -0.163 29.207 29.460 -0.149 0.000 1.120 500 W HN 0.331 nan 8.180 nan 0.000 0.618 501 A N -0.234 122.597 122.820 0.019 0.000 2.169 501 A HA 0.115 4.438 4.320 0.005 0.000 0.212 501 A C 0.844 178.410 177.584 -0.030 0.000 1.153 501 A CA 0.190 52.238 52.037 0.019 0.000 0.756 501 A CB -0.626 18.394 19.000 0.033 0.000 0.813 501 A HN 0.074 nan 8.150 nan 0.000 0.471 502 L N 1.054 122.191 121.223 -0.142 0.000 2.456 502 L HA 0.131 4.474 4.340 0.005 0.000 0.272 502 L C 0.437 177.319 176.870 0.020 0.000 1.189 502 L CA -0.417 54.349 54.840 -0.123 0.000 0.846 502 L CB 0.772 42.623 42.059 -0.347 0.000 1.111 502 L HN 0.093 nan 8.230 nan 0.000 0.475 503 S N 0.868 116.591 115.700 0.038 0.000 2.592 503 S HA 0.696 5.169 4.470 0.005 0.000 0.271 503 S C 0.362 174.981 174.600 0.032 0.000 1.326 503 S CA 0.085 58.308 58.200 0.039 0.000 1.024 503 S CB 1.451 64.658 63.200 0.012 0.000 0.921 503 S HN 0.972 nan 8.310 nan 0.000 0.527 504 G N 1.769 110.520 108.800 -0.081 0.000 2.334 504 G HA2 0.034 3.997 3.960 0.005 0.000 0.566 504 G HA3 0.034 3.997 3.960 0.005 0.000 0.566 504 G C -1.386 173.220 174.900 -0.490 0.000 1.413 504 G CA -1.090 43.794 45.100 -0.360 0.000 0.993 504 G HN 0.617 nan 8.290 nan 0.000 0.642 505 N N -0.350 117.994 118.700 -0.593 0.000 2.414 505 N HA 0.646 5.389 4.740 0.005 0.000 0.256 505 N C -0.190 174.875 175.510 -0.740 0.000 1.029 505 N CA -0.805 51.979 53.050 -0.443 0.000 0.948 505 N CB 0.247 38.589 38.487 -0.243 0.000 1.102 505 N HN 0.346 nan 8.380 nan 0.000 0.496 506 F N 0.446 120.357 119.950 -0.065 0.000 2.805 506 F HA 0.309 4.839 4.527 0.004 0.000 0.317 506 F C 0.166 175.936 175.800 -0.050 0.000 1.146 506 F CA -0.794 57.145 58.000 -0.101 0.000 1.265 506 F CB 0.042 38.911 39.000 -0.219 0.000 0.992 506 F HN 0.238 nan 8.300 nan 0.000 0.511 507 D N 0.696 121.152 120.400 0.094 0.000 2.449 507 D HA 0.128 4.771 4.640 0.005 0.000 0.236 507 D C 1.461 177.840 176.300 0.132 0.000 1.149 507 D CA 0.367 54.450 54.000 0.139 0.000 0.878 507 D CB 1.205 42.066 40.800 0.103 0.000 1.198 507 D HN 0.243 nan 8.370 nan 0.000 0.446 508 A N 1.775 124.707 122.820 0.185 0.000 2.125 508 A HA -0.166 4.157 4.320 0.005 0.000 0.219 508 A C 1.984 179.601 177.584 0.054 0.000 1.156 508 A CA 1.608 53.705 52.037 0.100 0.000 0.671 508 A CB -0.560 18.406 19.000 -0.056 0.000 0.794 508 A HN 0.539 nan 8.150 nan 0.000 0.459 509 S N -0.568 115.180 115.700 0.081 0.000 2.500 509 S HA -0.068 4.405 4.470 0.005 0.000 0.239 509 S C 1.224 175.846 174.600 0.036 0.000 0.989 509 S CA 1.101 59.330 58.200 0.047 0.000 0.951 509 S CB -0.103 63.128 63.200 0.052 0.000 0.759 509 S HN 0.425 nan 8.310 nan 0.000 0.523 510 K N 1.845 122.273 120.400 0.046 0.000 2.397 510 K HA 0.355 4.678 4.320 0.005 0.000 0.202 510 K C 0.010 176.646 176.600 0.059 0.000 1.022 510 K CA -0.079 56.239 56.287 0.052 0.000 1.141 510 K CB 0.149 32.678 32.500 0.048 0.000 0.857 510 K HN 0.297 nan 8.250 nan 0.000 0.514 511 S N 0.817 116.519 115.700 0.004 0.000 2.558 511 S HA -0.065 4.408 4.470 0.005 0.000 0.293 511 S C 0.145 174.626 174.600 -0.198 0.000 1.292 511 S CA 0.133 58.230 58.200 -0.172 0.000 1.063 511 S CB -0.140 62.861 63.200 -0.332 0.000 0.831 511 S HN 0.529 nan 8.310 nan 0.000 0.499 512 W N -0.369 120.866 121.300 -0.108 0.000 2.560 512 W HA -0.245 4.418 4.660 0.004 0.000 0.279 512 W C 0.312 176.616 176.519 -0.359 0.000 1.090 512 W CA 0.244 57.223 57.345 -0.609 0.000 0.535 512 W CB -1.863 27.188 29.460 -0.681 0.000 2.121 512 W HN 0.468 nan 8.180 nan 0.000 1.314 513 K N 0.182 120.712 120.400 0.216 0.000 2.331 513 K HA 0.359 4.682 4.320 0.005 0.000 0.238 513 K C 1.252 178.066 176.600 0.358 0.000 1.058 513 K CA -0.454 55.981 56.287 0.247 0.000 0.871 513 K CB 1.078 33.651 32.500 0.120 0.000 1.292 513 K HN -0.039 nan 8.250 nan 0.000 0.470 514 K N 0.377 120.916 120.400 0.232 0.000 2.103 514 K HA -0.211 4.112 4.320 0.005 0.000 0.207 514 K C 1.024 177.697 176.600 0.122 0.000 1.048 514 K CA 1.850 58.235 56.287 0.164 0.000 0.930 514 K CB -0.053 32.505 32.500 0.096 0.000 0.716 514 K HN 0.384 nan 8.250 nan 0.000 0.444 515 E N 1.268 121.527 120.200 0.100 0.000 2.110 515 E HA -0.191 4.162 4.350 0.005 0.000 0.193 515 E C 1.974 178.686 176.600 0.188 0.000 0.988 515 E CA 1.542 57.982 56.400 0.067 0.000 0.804 515 E CB -0.035 29.647 29.700 -0.031 0.000 0.745 515 E HN 0.578 nan 8.360 nan 0.000 0.458 516 E N 0.414 120.748 120.200 0.224 0.000 2.072 516 E HA -0.159 4.194 4.350 0.005 0.000 0.191 516 E C 1.863 178.601 176.600 0.230 0.000 0.985 516 E CA 0.734 57.306 56.400 0.286 0.000 0.801 516 E CB -0.035 29.882 29.700 0.362 0.000 0.750 516 E HN 0.228 nan 8.360 nan 0.000 0.452 517 L N 0.888 122.166 121.223 0.091 0.000 2.083 517 L HA -0.172 4.171 4.340 0.005 0.000 0.209 517 L C 2.741 179.646 176.870 0.059 0.000 1.083 517 L CA 1.479 56.277 54.840 -0.070 0.000 0.752 517 L CB -0.571 41.344 42.059 -0.241 0.000 0.899 517 L HN 0.314 nan 8.230 nan 0.000 0.433 518 E N 0.721 120.993 120.200 0.119 0.000 2.058 518 E HA -0.292 4.061 4.350 0.005 0.000 0.194 518 E C 2.250 178.987 176.600 0.228 0.000 0.997 518 E CA 1.448 57.951 56.400 0.172 0.000 0.801 518 E CB -0.070 29.740 29.700 0.183 0.000 0.746 518 E HN 0.288 nan 8.360 nan 0.000 0.450 519 L N 1.042 122.408 121.223 0.238 0.000 2.042 519 L HA -0.119 4.224 4.340 0.005 0.000 0.210 519 L C 2.327 179.278 176.870 0.135 0.000 1.076 519 L CA 2.311 57.193 54.840 0.070 0.000 0.749 519 L CB -0.882 41.117 42.059 -0.099 0.000 0.893 519 L HN 0.209 nan 8.230 nan 0.000 0.432 520 A N -0.568 122.347 122.820 0.157 0.000 1.933 520 A HA -0.208 4.115 4.320 0.005 0.000 0.218 520 A C 2.080 179.723 177.584 0.098 0.000 1.175 520 A CA 1.798 53.914 52.037 0.132 0.000 0.628 520 A CB -0.741 18.395 19.000 0.227 0.000 0.814 520 A HN 0.603 nan 8.150 nan 0.000 0.444 521 N N -1.339 117.423 118.700 0.104 0.000 2.106 521 N HA -0.182 4.561 4.740 0.005 0.000 0.188 521 N C 1.431 176.996 175.510 0.091 0.000 1.029 521 N CA 1.482 54.576 53.050 0.074 0.000 0.848 521 N CB -0.628 37.902 38.487 0.072 0.000 1.007 521 N HN 0.780 nan 8.380 nan 0.000 0.423 522 W N 2.002 123.293 121.300 -0.015 0.000 2.338 522 W HA -0.026 4.637 4.660 0.005 0.000 0.304 522 W C 2.011 178.516 176.519 -0.023 0.000 1.212 522 W CA 1.114 58.442 57.345 -0.029 0.000 1.264 522 W CB -0.406 29.015 29.460 -0.065 0.000 1.142 522 W HN -0.047 nan 8.180 nan 0.000 0.512 523 I N 0.705 121.404 120.570 0.216 0.000 2.163 523 I HA -0.403 3.770 4.170 0.005 0.000 0.243 523 I C 2.729 178.801 176.117 -0.075 0.000 1.085 523 I CA 2.031 63.408 61.300 0.128 0.000 1.347 523 I CB -0.905 37.227 38.000 0.220 0.000 1.044 523 I HN 0.099 nan 8.210 nan 0.000 0.408 524 S N 0.178 115.832 115.700 -0.076 0.000 2.447 524 S HA -0.095 4.378 4.470 0.005 0.000 0.233 524 S C 1.738 176.236 174.600 -0.170 0.000 1.006 524 S CA 0.743 58.873 58.200 -0.118 0.000 0.957 524 S CB -0.073 63.077 63.200 -0.083 0.000 0.773 524 S HN 0.342 nan 8.310 nan 0.000 0.507 525 K N 0.469 120.725 120.400 -0.241 0.000 2.380 525 K HA 0.344 4.667 4.320 0.005 0.000 0.198 525 K C 0.704 177.070 176.600 -0.390 0.000 1.070 525 K CA 0.058 56.184 56.287 -0.267 0.000 1.040 525 K CB 0.104 32.471 32.500 -0.222 0.000 0.903 525 K HN 0.464 nan 8.250 nan 0.000 0.549 526 N N -0.288 118.047 118.700 -0.608 0.000 3.189 526 N HA -0.052 4.691 4.740 0.005 0.000 0.204 526 N C 1.521 176.783 175.510 -0.415 0.000 1.231 526 N CA -0.004 52.612 53.050 -0.724 0.000 1.130 526 N CB -0.398 37.091 38.487 -1.663 0.000 1.393 526 N HN -0.088 nan 8.380 nan 0.000 0.540 527 Y N 2.791 122.753 120.300 -0.563 0.000 2.096 527 Y HA -0.173 4.380 4.550 0.005 0.000 0.278 527 Y C 2.232 178.064 175.900 -0.113 0.000 1.192 527 Y CA 1.771 59.760 58.100 -0.185 0.000 1.143 527 Y CB -0.651 37.799 38.460 -0.017 0.000 0.963 527 Y HN 0.031 nan 8.280 nan 0.000 0.505 528 S N -0.111 115.384 115.700 -0.341 0.000 2.496 528 S HA 0.048 4.521 4.470 0.005 0.000 0.224 528 S C 1.772 176.216 174.600 -0.259 0.000 0.996 528 S CA 1.049 59.002 58.200 -0.411 0.000 0.927 528 S CB -0.267 62.754 63.200 -0.299 0.000 0.774 528 S HN 0.714 nan 8.310 nan 0.000 0.524 529 I N -2.869 117.579 120.570 -0.203 0.000 4.124 529 I HA 0.365 4.538 4.170 0.005 0.000 0.311 529 I C -0.093 175.964 176.117 -0.100 0.000 1.259 529 I CA 0.046 61.260 61.300 -0.142 0.000 1.315 529 I CB 0.202 38.124 38.000 -0.130 0.000 1.223 529 I HN -0.055 nan 8.210 nan 0.000 0.441 530 N N 3.479 122.118 118.700 -0.101 0.000 2.757 530 N HA 0.353 5.096 4.740 0.005 0.000 0.296 530 N C -2.573 172.938 175.510 0.000 0.000 1.874 530 N CA -1.005 52.020 53.050 -0.043 0.000 0.885 530 N CB 0.857 39.315 38.487 -0.048 0.000 1.242 530 N HN 0.220 nan 8.380 nan 0.000 0.488 531 P HA 0.013 nan 4.420 nan 0.000 0.266 531 P C 0.214 177.601 177.300 0.144 0.000 1.195 531 P CA -0.077 63.095 63.100 0.119 0.000 0.768 531 P CB 1.286 33.059 31.700 0.121 0.000 0.838 532 V N 3.824 123.830 119.914 0.153 0.000 2.223 532 V HA 0.057 4.180 4.120 0.005 0.000 0.249 532 V C 0.667 176.832 176.094 0.119 0.000 1.233 532 V CA 0.375 62.747 62.300 0.120 0.000 1.131 532 V CB -0.707 31.179 31.823 0.104 0.000 1.298 532 V HN 0.642 nan 8.190 nan 0.000 0.498 533 D N 0.666 121.173 120.400 0.179 0.000 2.650 533 D HA 0.074 4.717 4.640 0.005 0.000 0.265 533 D C 0.491 177.010 176.300 0.364 0.000 1.339 533 D CA -0.346 53.793 54.000 0.233 0.000 0.816 533 D CB -0.336 40.636 40.800 0.287 0.000 1.091 533 D HN 0.389 nan 8.370 nan 0.000 0.483 534 N N 0.137 118.957 118.700 0.199 0.000 2.280 534 N HA 0.042 4.785 4.740 0.005 0.000 0.192 534 N C -0.630 174.845 175.510 -0.057 0.000 1.109 534 N CA -0.180 52.907 53.050 0.061 0.000 0.855 534 N CB 0.489 38.939 38.487 -0.061 0.000 0.974 534 N HN 0.092 nan 8.380 nan 0.000 0.482 535 D N 0.916 121.369 120.400 0.089 0.000 2.339 535 D HA 0.073 4.716 4.640 0.005 0.000 0.241 535 D C -0.284 176.191 176.300 0.292 0.000 1.183 535 D CA 0.120 54.166 54.000 0.077 0.000 0.859 535 D CB 0.470 41.316 40.800 0.077 0.000 1.067 535 D HN -0.029 nan 8.370 nan 0.000 0.484 536 F N 1.797 121.769 119.950 0.037 0.000 2.371 536 F HA 0.431 4.961 4.527 0.005 0.000 0.329 536 F C 1.313 177.129 175.800 0.027 0.000 1.107 536 F CA -0.708 57.320 58.000 0.047 0.000 1.137 536 F CB 0.755 39.799 39.000 0.073 0.000 1.214 536 F HN -0.040 nan 8.300 nan 0.000 0.536 537 R N 0.073 120.678 120.500 0.176 0.000 2.795 537 R HA 0.579 4.921 4.340 0.005 0.000 0.275 537 R C -1.097 175.252 176.300 0.082 0.000 0.981 537 R CA -0.919 55.231 56.100 0.084 0.000 0.917 537 R CB 2.109 32.419 30.300 0.016 0.000 1.202 537 R HN 0.484 nan 8.270 nan 0.000 0.469 538 T N 1.438 116.052 114.554 0.100 0.000 2.767 538 T HA 0.297 4.650 4.350 0.005 0.000 0.284 538 T C -0.325 174.453 174.700 0.130 0.000 0.973 538 T CA -0.254 61.929 62.100 0.138 0.000 0.996 538 T CB 1.415 70.346 68.868 0.105 0.000 0.927 538 T HN 0.370 nan 8.240 nan 0.000 0.456 539 T N 3.418 118.088 114.554 0.193 0.000 2.779 539 T HA 0.473 4.825 4.350 0.005 0.000 0.280 539 T C -0.030 174.716 174.700 0.077 0.000 0.987 539 T CA -0.573 61.616 62.100 0.149 0.000 0.966 539 T CB 1.032 70.040 68.868 0.233 0.000 0.933 539 T HN 0.483 nan 8.240 nan 0.000 0.442 540 T N 4.085 118.665 114.554 0.044 0.000 2.779 540 T HA 0.543 4.896 4.350 0.005 0.000 0.280 540 T C -0.777 173.921 174.700 -0.002 0.000 0.987 540 T CA -0.595 61.514 62.100 0.014 0.000 0.966 540 T CB 0.892 69.767 68.868 0.010 0.000 0.933 540 T HN 0.312 nan 8.240 nan 0.000 0.442 541 L N 3.932 125.143 121.223 -0.019 0.000 2.325 541 L HA 0.661 5.004 4.340 0.005 0.000 0.281 541 L C -0.562 176.300 176.870 -0.014 0.000 1.004 541 L CA 0.011 54.843 54.840 -0.014 0.000 0.823 541 L CB 1.588 43.638 42.059 -0.014 0.000 1.236 541 L HN 0.592 nan 8.230 nan 0.000 0.415 542 T N 6.423 120.983 114.554 0.010 0.000 2.809 542 T HA 0.540 4.893 4.350 0.005 0.000 0.284 542 T C -0.434 174.319 174.700 0.088 0.000 0.992 542 T CA -0.299 61.818 62.100 0.027 0.000 0.957 542 T CB 0.908 69.781 68.868 0.008 0.000 0.942 542 T HN 0.428 nan 8.240 nan 0.000 0.439 543 L N 2.754 124.079 121.223 0.168 0.000 2.262 543 L HA 0.537 4.880 4.340 0.005 0.000 0.288 543 L C 0.493 177.503 176.870 0.233 0.000 1.035 543 L CA -0.671 54.306 54.840 0.229 0.000 0.820 543 L CB 1.418 43.669 42.059 0.321 0.000 1.204 543 L HN 0.551 nan 8.230 nan 0.000 0.424 544 S N 2.339 118.143 115.700 0.173 0.000 2.438 544 S HA 0.598 5.070 4.470 0.005 0.000 0.293 544 S C 0.693 175.392 174.600 0.165 0.000 1.141 544 S CA 0.280 58.565 58.200 0.141 0.000 1.080 544 S CB 0.861 64.111 63.200 0.083 0.000 0.978 544 S HN 0.961 nan 8.310 nan 0.000 0.479 545 G N 3.792 112.707 108.800 0.193 0.000 2.248 545 G HA2 -0.184 3.779 3.960 0.005 0.000 0.252 545 G HA3 -0.184 3.779 3.960 0.005 0.000 0.252 545 G C -0.146 174.885 174.900 0.218 0.000 1.085 545 G CA -0.049 45.151 45.100 0.167 0.000 0.845 545 G HN 0.915 nan 8.290 nan 0.000 0.494 546 H N 1.413 120.655 119.070 0.287 0.000 2.944 546 H HA 0.268 4.827 4.556 0.005 0.000 0.278 546 H C 2.052 177.585 175.328 0.341 0.000 1.083 546 H CA 0.942 57.167 56.048 0.296 0.000 1.479 546 H CB 0.686 30.656 29.762 0.346 0.000 1.486 546 H HN 0.396 nan 8.280 nan 0.000 0.493 547 T N 1.378 115.879 114.554 -0.087 0.000 2.665 547 T HA -0.148 4.205 4.350 0.005 0.000 0.268 547 T C 1.634 176.423 174.700 0.148 0.000 1.035 547 T CA 1.027 63.124 62.100 -0.004 0.000 1.151 547 T CB -0.410 68.408 68.868 -0.083 0.000 0.862 547 T HN 0.590 nan 8.240 nan 0.000 0.438 548 G N 1.825 110.742 108.800 0.195 0.000 2.935 548 G HA2 0.451 4.414 3.960 0.005 0.000 0.157 548 G HA3 0.451 4.414 3.960 0.005 0.000 0.157 548 G C 0.236 175.414 174.900 0.463 0.000 1.712 548 G CA 0.030 45.299 45.100 0.281 0.000 1.071 548 G HN 0.944 nan 8.290 nan 0.000 0.539 549 H N -1.654 117.467 119.070 0.087 0.000 2.994 549 H HA 0.612 5.171 4.556 0.005 0.000 0.276 549 H C 0.160 175.095 175.328 -0.656 0.000 1.575 549 H CA -1.050 54.958 56.048 -0.066 0.000 1.583 549 H CB 0.825 30.572 29.762 -0.026 0.000 1.735 549 H HN 0.191 nan 8.280 nan 0.000 0.901 550 K N 2.013 121.615 120.400 -1.332 0.000 2.441 550 K HA -0.001 4.322 4.320 0.005 0.000 0.273 550 K C -2.213 173.700 176.600 -1.145 0.000 1.090 550 K CA -0.716 54.536 56.287 -1.724 0.000 1.158 550 K CB -0.146 31.713 32.500 -1.068 0.000 0.847 550 K HN 0.487 nan 8.250 nan 0.000 0.483 551 P HA -0.020 nan 4.420 nan 0.000 0.266 551 P C -0.882 176.066 177.300 -0.588 0.000 1.195 551 P CA 0.373 63.008 63.100 -0.776 0.000 0.768 551 P CB 0.449 31.474 31.700 -1.127 0.000 0.838 552 Q N 3.620 123.180 119.800 -0.399 0.000 2.430 552 Q HA 0.359 4.702 4.340 0.005 0.000 0.245 552 Q C -0.175 175.695 176.000 -0.218 0.000 1.021 552 Q CA -0.587 55.062 55.803 -0.256 0.000 0.867 552 Q CB 0.146 28.779 28.738 -0.175 0.000 1.210 552 Q HN 0.631 nan 8.270 nan 0.000 0.487 553 I N 1.846 122.291 120.570 -0.207 0.000 2.638 553 I HA 0.228 4.401 4.170 0.005 0.000 0.286 553 I C -0.217 175.834 176.117 -0.111 0.000 1.088 553 I CA -0.318 60.874 61.300 -0.180 0.000 1.397 553 I CB 1.100 39.001 38.000 -0.166 0.000 1.414 553 I HN 0.701 nan 8.210 nan 0.000 0.566 554 N N 8.004 126.639 118.700 -0.109 0.000 2.424 554 N HA 0.448 5.190 4.740 0.005 0.000 0.271 554 N C -1.307 174.136 175.510 -0.113 0.000 0.985 554 N CA -0.396 52.608 53.050 -0.076 0.000 0.921 554 N CB 1.892 40.349 38.487 -0.050 0.000 1.149 554 N HN 0.509 nan 8.380 nan 0.000 0.492 555 I N 1.750 122.257 120.570 -0.105 0.000 2.647 555 I HA 0.429 4.602 4.170 0.005 0.000 0.295 555 I C -0.734 175.335 176.117 -0.080 0.000 1.078 555 I CA -0.286 60.911 61.300 -0.171 0.000 1.048 555 I CB 1.766 39.564 38.000 -0.337 0.000 1.239 555 I HN 0.559 nan 8.210 nan 0.000 0.421 556 S N 4.406 120.009 115.700 -0.162 0.000 2.656 556 S HA 1.028 5.501 4.470 0.005 0.000 0.273 556 S C -0.640 173.722 174.600 -0.397 0.000 1.168 556 S CA -0.195 57.946 58.200 -0.099 0.000 0.817 556 S CB 1.833 65.011 63.200 -0.036 0.000 1.146 556 S HN 1.192 nan 8.310 nan 0.000 0.475 557 G N -0.113 108.526 108.800 -0.270 0.000 2.430 557 G HA2 0.466 4.429 3.960 0.005 0.000 0.300 557 G HA3 0.466 4.429 3.960 0.005 0.000 0.300 557 G C -2.256 172.643 174.900 -0.000 0.000 1.330 557 G CA -0.816 44.044 45.100 -0.399 0.000 0.813 557 G HN 0.668 nan 8.290 nan 0.000 0.487 558 D N 1.104 121.512 120.400 0.013 0.000 2.450 558 D HA 0.164 4.807 4.640 0.005 0.000 0.247 558 D C 0.721 177.185 176.300 0.273 0.000 1.162 558 D CA 0.419 54.471 54.000 0.085 0.000 0.879 558 D CB 1.282 42.077 40.800 -0.008 0.000 1.163 558 D HN 0.493 nan 8.370 nan 0.000 0.472 559 K N 2.070 122.591 120.400 0.201 0.000 2.484 559 K HA -0.116 4.207 4.320 0.005 0.000 0.280 559 K C 0.185 176.970 176.600 0.307 0.000 1.013 559 K CA 0.228 56.644 56.287 0.215 0.000 1.029 559 K CB -0.003 32.574 32.500 0.129 0.000 0.902 559 K HN 0.473 nan 8.250 nan 0.000 0.481 560 N N 1.954 120.765 118.700 0.186 0.000 2.778 560 N HA -0.218 4.525 4.740 0.005 0.000 0.249 560 N C -0.525 175.024 175.510 0.066 0.000 1.069 560 N CA 0.804 53.921 53.050 0.111 0.000 0.831 560 N CB -0.858 37.678 38.487 0.081 0.000 1.142 560 N HN 0.634 nan 8.380 nan 0.000 0.573 561 H N -1.369 117.818 119.070 0.196 0.000 2.567 561 H HA 0.185 4.743 4.556 0.005 0.000 0.267 561 H C -0.695 174.472 175.328 -0.268 0.000 1.148 561 H CA 0.166 56.264 56.048 0.083 0.000 1.031 561 H CB 0.242 30.088 29.762 0.140 0.000 1.691 561 H HN 0.471 nan 8.280 nan 0.000 0.588 562 Y N -1.101 119.063 120.300 -0.227 0.000 2.592 562 Y HA 0.491 5.044 4.550 0.005 0.000 0.334 562 Y C -0.853 175.074 175.900 0.046 0.000 1.136 562 Y CA -1.147 56.799 58.100 -0.257 0.000 1.042 562 Y CB 1.130 39.523 38.460 -0.112 0.000 1.325 562 Y HN -0.039 nan 8.280 nan 0.000 0.457 563 T N -0.007 114.622 114.554 0.125 0.000 2.901 563 T HA 0.820 5.173 4.350 0.005 0.000 0.293 563 T C -1.451 173.427 174.700 0.297 0.000 1.084 563 T CA -0.734 61.437 62.100 0.119 0.000 1.008 563 T CB 2.206 71.135 68.868 0.103 0.000 1.170 563 T HN 1.300 nan 8.240 nan 0.000 0.509 564 Y N -1.632 118.717 120.300 0.081 0.000 2.581 564 Y HA 0.756 5.309 4.550 0.005 0.000 0.337 564 Y C -0.736 175.188 175.900 0.041 0.000 1.108 564 Y CA -1.057 57.087 58.100 0.074 0.000 1.033 564 Y CB 1.270 39.785 38.460 0.093 0.000 1.318 564 Y HN 1.001 nan 8.280 nan 0.000 0.459 565 T N -0.614 114.012 114.554 0.120 0.000 2.863 565 T HA 0.674 5.027 4.350 0.005 0.000 0.285 565 T C -1.035 173.729 174.700 0.108 0.000 1.009 565 T CA -0.750 61.372 62.100 0.038 0.000 0.989 565 T CB 2.076 70.945 68.868 0.003 0.000 1.004 565 T HN 0.801 nan 8.240 nan 0.000 0.455 566 E N 1.714 121.966 120.200 0.087 0.000 2.221 566 E HA 0.551 4.904 4.350 0.005 0.000 0.268 566 E C -0.844 175.741 176.600 -0.024 0.000 0.933 566 E CA -1.104 55.308 56.400 0.021 0.000 0.809 566 E CB 1.488 31.300 29.700 0.187 0.000 1.190 566 E HN 0.615 nan 8.360 nan 0.000 0.406 567 N N 1.891 120.520 118.700 -0.119 0.000 2.425 567 N HA 0.164 4.907 4.740 0.005 0.000 0.289 567 N C -2.094 173.476 175.510 0.100 0.000 1.074 567 N CA -0.597 52.445 53.050 -0.013 0.000 0.905 567 N CB 1.386 39.836 38.487 -0.061 0.000 1.586 567 N HN 0.611 nan 8.380 nan 0.000 0.490 568 W N 4.216 125.514 121.300 -0.004 0.000 2.656 568 W HA 0.377 5.040 4.660 0.005 0.000 0.327 568 W C -1.359 175.165 176.519 0.008 0.000 1.041 568 W CA -0.533 56.842 57.345 0.050 0.000 1.229 568 W CB 1.493 31.010 29.460 0.095 0.000 1.397 568 W HN 0.412 nan 8.180 nan 0.000 0.479 569 D N 4.447 124.400 120.400 -0.746 0.000 2.441 569 D HA 0.033 4.676 4.640 0.005 0.000 0.231 569 D C 0.734 176.330 176.300 -1.174 0.000 1.073 569 D CA 0.018 53.607 54.000 -0.685 0.000 0.850 569 D CB 1.600 42.163 40.800 -0.395 0.000 1.062 569 D HN 0.561 nan 8.370 nan 0.000 0.524 570 E N 3.305 123.002 120.200 -0.837 0.000 2.204 570 E HA -0.111 4.242 4.350 0.005 0.000 0.194 570 E C 0.874 177.222 176.600 -0.420 0.000 0.989 570 E CA 1.415 57.464 56.400 -0.585 0.000 0.824 570 E CB 0.076 29.765 29.700 -0.018 0.000 0.756 570 E HN 0.553 nan 8.360 nan 0.000 0.477 571 N N -1.267 117.274 118.700 -0.265 0.000 2.250 571 N HA -0.087 4.656 4.740 0.005 0.000 0.181 571 N C 1.352 176.839 175.510 -0.037 0.000 1.017 571 N CA 1.490 54.481 53.050 -0.097 0.000 0.866 571 N CB 0.039 38.488 38.487 -0.063 0.000 0.985 571 N HN 0.271 nan 8.380 nan 0.000 0.429 572 T N -2.974 111.495 114.554 -0.140 0.000 3.044 572 T HA 0.034 4.387 4.350 0.005 0.000 0.250 572 T C 0.178 174.867 174.700 -0.019 0.000 1.081 572 T CA 0.020 62.082 62.100 -0.063 0.000 1.040 572 T CB -0.081 68.728 68.868 -0.098 0.000 0.962 572 T HN 0.227 nan 8.240 nan 0.000 0.506 573 H N -0.096 118.756 119.070 -0.364 0.000 2.770 573 H HA -0.103 4.455 4.556 0.005 0.000 0.309 573 H C -0.845 174.321 175.328 -0.270 0.000 1.206 573 H CA 0.393 56.208 56.048 -0.388 0.000 1.147 573 H CB -1.984 27.820 29.762 0.071 0.000 1.422 573 H HN 0.332 nan 8.280 nan 0.000 0.420 574 V N 1.633 121.301 119.914 -0.410 0.000 2.370 574 V HA 0.227 4.350 4.120 0.005 0.000 0.283 574 V C -0.018 176.104 176.094 0.046 0.000 1.023 574 V CA -0.637 61.614 62.300 -0.080 0.000 0.857 574 V CB 1.586 33.363 31.823 -0.077 0.000 0.985 574 V HN 0.309 nan 8.190 nan 0.000 0.443 575 Y N 3.744 124.175 120.300 0.217 0.000 2.341 575 Y HA 0.659 5.212 4.550 0.005 0.000 0.337 575 Y C 0.147 176.121 175.900 0.123 0.000 1.014 575 Y CA -0.291 57.988 58.100 0.298 0.000 1.111 575 Y CB 1.806 40.439 38.460 0.289 0.000 1.194 575 Y HN 0.642 nan 8.280 nan 0.000 0.462 576 T N 8.124 122.360 114.554 -0.529 0.000 2.824 576 T HA 0.459 4.812 4.350 0.005 0.000 0.282 576 T C -1.187 173.126 174.700 -0.646 0.000 0.993 576 T CA -0.528 61.317 62.100 -0.424 0.000 0.967 576 T CB 1.020 69.772 68.868 -0.193 0.000 0.960 576 T HN 0.669 nan 8.240 nan 0.000 0.441 577 I N 2.622 122.944 120.570 -0.414 0.000 2.406 577 I HA 0.439 4.612 4.170 0.005 0.000 0.290 577 I C -0.633 175.446 176.117 -0.065 0.000 0.999 577 I CA -0.351 60.824 61.300 -0.208 0.000 1.124 577 I CB 1.336 39.289 38.000 -0.078 0.000 1.289 577 I HN 0.512 nan 8.210 nan 0.000 0.441 578 T N 6.916 121.473 114.554 0.005 0.000 2.770 578 T HA 0.397 4.750 4.350 0.005 0.000 0.297 578 T C -0.439 174.326 174.700 0.108 0.000 0.997 578 T CA -0.345 61.781 62.100 0.043 0.000 0.949 578 T CB 1.030 69.919 68.868 0.036 0.000 0.941 578 T HN 0.260 nan 8.240 nan 0.000 0.457 579 V N 4.945 124.916 119.914 0.094 0.000 2.370 579 V HA 0.375 4.498 4.120 0.005 0.000 0.283 579 V C -0.159 176.065 176.094 0.217 0.000 1.023 579 V CA -1.113 61.255 62.300 0.114 0.000 0.857 579 V CB 1.088 32.846 31.823 -0.108 0.000 0.985 579 V HN 0.831 nan 8.190 nan 0.000 0.443 580 N N 5.118 123.966 118.700 0.246 0.000 2.437 580 N HA 0.633 5.376 4.740 0.005 0.000 0.259 580 N C -0.678 174.919 175.510 0.145 0.000 0.983 580 N CA -0.691 52.527 53.050 0.279 0.000 0.937 580 N CB 0.904 39.586 38.487 0.324 0.000 1.122 580 N HN 0.909 nan 8.380 nan 0.000 0.499 581 H N -0.010 118.960 119.070 -0.167 0.000 3.037 581 H HA 0.474 5.033 4.556 0.005 0.000 0.355 581 H C -1.650 173.525 175.328 -0.256 0.000 1.263 581 H CA -1.053 54.733 56.048 -0.437 0.000 1.129 581 H CB 1.445 31.103 29.762 -0.174 0.000 1.861 581 H HN 0.366 nan 8.280 nan 0.000 0.546 582 N N 0.465 119.042 118.700 -0.205 0.000 2.690 582 N HA 0.461 5.204 4.740 0.005 0.000 0.255 582 N C -0.347 175.329 175.510 0.278 0.000 1.195 582 N CA 0.789 53.886 53.050 0.078 0.000 0.790 582 N CB 0.921 39.585 38.487 0.295 0.000 1.216 582 N HN 1.261 nan 8.380 nan 0.000 0.528 583 G N 1.308 110.247 108.800 0.231 0.000 2.320 583 G HA2 0.028 3.991 3.960 0.005 0.000 0.274 583 G HA3 0.028 3.991 3.960 0.005 0.000 0.274 583 G C -1.321 173.662 174.900 0.137 0.000 1.324 583 G CA -0.873 44.359 45.100 0.220 0.000 0.957 583 G HN 0.425 nan 8.290 nan 0.000 0.481 584 M N 0.573 120.166 119.600 -0.012 0.000 2.235 584 M HA 0.646 5.129 4.480 0.005 0.000 0.351 584 M C -0.776 175.392 176.300 -0.219 0.000 1.178 584 M CA -0.460 54.778 55.300 -0.104 0.000 1.143 584 M CB 1.130 33.656 32.600 -0.124 0.000 1.530 584 M HN 0.508 nan 8.290 nan 0.000 0.461 585 V N 4.465 124.182 119.914 -0.328 0.000 2.686 585 V HA 0.474 4.597 4.120 0.005 0.000 0.306 585 V C -0.996 174.867 176.094 -0.384 0.000 1.065 585 V CA -0.791 61.195 62.300 -0.524 0.000 0.894 585 V CB 2.203 33.602 31.823 -0.706 0.000 1.004 585 V HN 0.865 nan 8.190 nan 0.000 0.424 586 E N 4.314 124.299 120.200 -0.358 0.000 2.266 586 E HA 0.784 5.137 4.350 0.005 0.000 0.268 586 E C -1.299 175.105 176.600 -0.326 0.000 0.879 586 E CA -0.785 55.449 56.400 -0.278 0.000 0.762 586 E CB 2.829 32.473 29.700 -0.093 0.000 1.199 586 E HN 0.565 nan 8.360 nan 0.000 0.422 587 M N 1.153 120.493 119.600 -0.433 0.000 2.484 587 M HA 0.345 4.828 4.480 0.005 0.000 0.289 587 M C -0.855 175.218 176.300 -0.378 0.000 1.206 587 M CA -0.782 54.310 55.300 -0.346 0.000 0.892 587 M CB 2.665 35.084 32.600 -0.302 0.000 1.712 587 M HN 0.322 nan 8.290 nan 0.000 0.462 588 S N 2.502 118.091 115.700 -0.184 0.000 2.519 588 S HA 0.839 5.312 4.470 0.005 0.000 0.309 588 S C -1.098 173.439 174.600 -0.105 0.000 1.100 588 S CA -0.559 57.592 58.200 -0.083 0.000 1.059 588 S CB 0.705 63.919 63.200 0.024 0.000 1.008 588 S HN 0.628 nan 8.310 nan 0.000 0.478 589 I N 0.000 120.517 120.570 -0.088 0.000 2.984 589 I HA 0.000 4.173 4.170 0.005 0.000 0.288 589 I CA 0.000 61.224 61.300 -0.126 0.000 1.566 589 I CB 0.000 37.893 38.000 -0.178 0.000 1.214 589 I HN 0.000 nan 8.210 nan 0.000 0.494