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 2vdy_1_B DATA FIRST_RESID 16 DATA SEQUENCE GLASANVDFA FSLYKHLVAL SPKKNIFISP VSISMALAML SLGTCGHTRA DATA SEQUENCE QLLQGLGFNL XXXSETEIHQ GFQHLHQLFA KSDTSLEMTM GNALFLDGSL DATA SEQUENCE ELLESFSADI KHYYESEVLA MNFQDWATAS RQINSYVKNK TQGKIVDLFS DATA SEQUENCE XXXSPAILVL VNYIFFKGTW TQPFDLASTR EENFYVDETT VVKVPMMLQS DATA SEQUENCE STISYLHDSE LPCQLVQMNY VGNGTVFFIL PDKGKMNTVI AALSRDTINR DATA SEQUENCE WSAGLTSSQV DLYIPKVTIS GVYDLGDVLE EMGIADLFTT QANFSRITQD DATA SEQUENCE AQLKSSKVVH KAVLQLNEEG TEAAGAMFLE AIPRXKPIIL RFNQPFIIMI DATA SEQUENCE FDHFTWSSLF LARVMNPV 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 16 G HA2 0.000 nan 3.960 nan 0.000 0.244 16 G HA3 0.000 4.353 3.960 0.655 0.000 0.244 16 G C 0.000 174.948 174.900 0.081 0.000 0.946 16 G CA 0.000 45.137 45.100 0.061 0.000 0.502 17 L N 1.621 122.878 121.223 0.057 0.000 2.044 17 L HA 0.048 4.781 4.340 0.655 0.000 0.205 17 L C 3.172 180.053 176.870 0.018 0.000 1.075 17 L CA 2.668 57.539 54.840 0.052 0.000 0.747 17 L CB -1.317 40.698 42.059 -0.073 0.000 0.903 17 L HN 0.778 nan 8.230 nan 0.000 0.435 18 A N -1.211 121.637 122.820 0.045 0.000 1.933 18 A HA -0.215 4.498 4.320 0.655 0.000 0.218 18 A C 2.617 180.244 177.584 0.071 0.000 1.175 18 A CA 1.903 54.000 52.037 0.100 0.000 0.628 18 A CB -0.705 18.454 19.000 0.264 0.000 0.814 18 A HN 0.427 nan 8.150 nan 0.000 0.444 19 S N -0.485 115.253 115.700 0.063 0.000 2.382 19 S HA -0.036 4.827 4.470 0.655 0.000 0.228 19 S C 2.084 176.655 174.600 -0.048 0.000 1.027 19 S CA 1.584 59.795 58.200 0.018 0.000 0.991 19 S CB -0.398 62.819 63.200 0.029 0.000 0.823 19 S HN 0.783 nan 8.310 nan 0.000 0.469 20 A N 1.759 124.511 122.820 -0.115 0.000 1.898 20 A HA 0.027 4.740 4.320 0.655 0.000 0.214 20 A C 1.959 179.374 177.584 -0.282 0.000 1.183 20 A CA 1.348 53.208 52.037 -0.296 0.000 0.622 20 A CB -0.649 17.952 19.000 -0.665 0.000 0.824 20 A HN 0.595 nan 8.150 nan 0.000 0.444 21 N N 0.140 118.717 118.700 -0.204 0.000 2.396 21 N HA -0.063 5.070 4.740 0.655 0.000 0.180 21 N C 1.541 177.017 175.510 -0.058 0.000 1.028 21 N CA 1.310 54.299 53.050 -0.102 0.000 0.893 21 N CB -0.243 38.212 38.487 -0.054 0.000 0.967 21 N HN 0.286 nan 8.380 nan 0.000 0.440 22 V N 1.247 121.108 119.914 -0.090 0.000 2.407 22 V HA -0.124 4.389 4.120 0.655 0.000 0.245 22 V C 1.542 177.502 176.094 -0.224 0.000 1.041 22 V CA 1.384 63.565 62.300 -0.199 0.000 1.040 22 V CB -0.359 31.395 31.823 -0.115 0.000 0.671 22 V HN 0.126 nan 8.190 nan 0.000 0.455 23 D N -0.142 120.227 120.400 -0.052 0.000 2.144 23 D HA -0.174 4.859 4.640 0.655 0.000 0.199 23 D C 1.855 178.185 176.300 0.050 0.000 0.984 23 D CA 1.270 55.293 54.000 0.038 0.000 0.834 23 D CB -0.279 40.534 40.800 0.022 0.000 0.955 23 D HN 0.470 nan 8.370 nan 0.000 0.465 24 F N 1.470 121.348 119.950 -0.120 0.000 2.186 24 F HA -0.036 4.882 4.527 0.652 0.000 0.299 24 F C 2.166 177.909 175.800 -0.095 0.000 1.090 24 F CA 1.208 59.147 58.000 -0.102 0.000 1.307 24 F CB -0.100 38.816 39.000 -0.140 0.000 1.019 24 F HN -0.073 nan 8.300 nan 0.000 0.489 25 A N 0.325 123.076 122.820 -0.115 0.000 1.877 25 A HA -0.168 4.545 4.320 0.655 0.000 0.216 25 A C 2.028 179.485 177.584 -0.212 0.000 1.186 25 A CA 1.863 53.741 52.037 -0.265 0.000 0.620 25 A CB -1.412 17.345 19.000 -0.405 0.000 0.822 25 A HN 0.399 nan 8.150 nan 0.000 0.443 26 F N -0.003 119.910 119.950 -0.062 0.000 2.146 26 F HA -0.063 4.858 4.527 0.656 0.000 0.298 26 F C 2.976 178.785 175.800 0.015 0.000 1.096 26 F CA 0.986 58.983 58.000 -0.005 0.000 1.275 26 F CB -1.050 37.942 39.000 -0.013 0.000 1.008 26 F HN 0.251 nan 8.300 nan 0.000 0.480 27 S N 0.205 115.984 115.700 0.132 0.000 2.368 27 S HA -0.187 4.676 4.470 0.655 0.000 0.225 27 S C 2.161 176.810 174.600 0.082 0.000 1.030 27 S CA 1.224 59.479 58.200 0.092 0.000 0.999 27 S CB -0.602 62.620 63.200 0.037 0.000 0.844 27 S HN 0.286 nan 8.310 nan 0.000 0.459 28 L N 0.478 121.569 121.223 -0.220 0.000 2.046 28 L HA -0.005 4.728 4.340 0.655 0.000 0.208 28 L C 2.082 178.904 176.870 -0.080 0.000 1.077 28 L CA 2.076 56.741 54.840 -0.292 0.000 0.747 28 L CB -0.974 40.694 42.059 -0.653 0.000 0.896 28 L HN 0.511 nan 8.230 nan 0.000 0.432 29 Y N 0.613 120.829 120.300 -0.139 0.000 2.097 29 Y HA -0.298 4.644 4.550 0.653 0.000 0.282 29 Y C 2.451 178.332 175.900 -0.032 0.000 1.152 29 Y CA 2.239 60.295 58.100 -0.074 0.000 1.136 29 Y CB -0.237 38.230 38.460 0.012 0.000 0.975 29 Y HN 0.167 nan 8.280 nan 0.000 0.498 30 K N -1.129 119.274 120.400 0.006 0.000 2.063 30 K HA -0.230 4.483 4.320 0.655 0.000 0.208 30 K C 1.856 178.338 176.600 -0.196 0.000 1.048 30 K CA 1.953 58.161 56.287 -0.130 0.000 0.928 30 K CB -0.400 32.056 32.500 -0.075 0.000 0.713 30 K HN 0.476 nan 8.250 nan 0.000 0.442 31 H N 0.350 119.345 119.070 -0.125 0.000 2.357 31 H HA -0.026 4.928 4.556 0.663 0.000 0.301 31 H C 1.914 177.166 175.328 -0.126 0.000 1.082 31 H CA 1.297 57.277 56.048 -0.112 0.000 1.342 31 H CB 0.028 29.726 29.762 -0.106 0.000 1.389 31 H HN 0.025 nan 8.280 nan 0.000 0.511 32 L N -0.656 120.532 121.223 -0.057 0.000 2.156 32 L HA -0.126 4.607 4.340 0.655 0.000 0.208 32 L C 2.206 178.994 176.870 -0.135 0.000 1.095 32 L CA 0.395 55.169 54.840 -0.111 0.000 0.770 32 L CB -0.168 41.758 42.059 -0.222 0.000 0.914 32 L HN 0.158 nan 8.230 nan 0.000 0.439 33 V N 0.148 119.917 119.914 -0.242 0.000 2.343 33 V HA -0.283 4.230 4.120 0.655 0.000 0.247 33 V C 2.686 178.704 176.094 -0.127 0.000 1.051 33 V CA 1.849 64.008 62.300 -0.237 0.000 1.036 33 V CB -0.742 30.854 31.823 -0.379 0.000 0.654 33 V HN 0.487 nan 8.190 nan 0.000 0.451 34 A N -0.869 121.878 122.820 -0.120 0.000 2.067 34 A HA -0.060 4.653 4.320 0.655 0.000 0.219 34 A C 2.149 179.708 177.584 -0.041 0.000 1.158 34 A CA 1.368 53.356 52.037 -0.082 0.000 0.661 34 A CB -0.348 18.588 19.000 -0.108 0.000 0.801 34 A HN 0.534 nan 8.150 nan 0.000 0.452 35 L N -0.393 120.815 121.223 -0.026 0.000 2.202 35 L HA 0.039 4.772 4.340 0.655 0.000 0.205 35 L C 0.771 177.649 176.870 0.014 0.000 1.083 35 L CA 0.930 55.772 54.840 0.003 0.000 0.790 35 L CB 0.035 42.107 42.059 0.021 0.000 0.942 35 L HN 0.433 nan 8.230 nan 0.000 0.452 36 S N -0.854 114.855 115.700 0.015 0.000 2.622 36 S HA 0.360 5.223 4.470 0.655 0.000 0.283 36 S C -2.004 172.607 174.600 0.018 0.000 1.197 36 S CA -1.160 57.059 58.200 0.032 0.000 1.146 36 S CB 1.178 64.421 63.200 0.072 0.000 1.007 36 S HN -0.062 nan 8.310 nan 0.000 0.478 37 P HA 0.191 nan 4.420 nan 0.000 0.240 37 P C 0.328 177.646 177.300 0.029 0.000 1.190 37 P CA 0.410 63.517 63.100 0.011 0.000 0.781 37 P CB 0.136 31.841 31.700 0.008 0.000 0.931 38 K N -1.029 119.394 120.400 0.039 0.000 2.483 38 K HA 0.224 4.937 4.320 0.655 0.000 0.206 38 K C 0.498 177.134 176.600 0.059 0.000 1.086 38 K CA -0.109 56.209 56.287 0.051 0.000 1.052 38 K CB 1.048 33.575 32.500 0.046 0.000 0.904 38 K HN 0.037 nan 8.250 nan 0.000 0.557 39 K N 1.197 121.634 120.400 0.061 0.000 2.156 39 K HA 0.291 5.003 4.320 0.655 0.000 0.250 39 K C -0.520 176.134 176.600 0.091 0.000 0.955 39 K CA -0.905 55.424 56.287 0.071 0.000 0.855 39 K CB 1.054 33.599 32.500 0.076 0.000 1.101 39 K HN -0.082 nan 8.250 nan 0.000 0.434 40 N N 1.964 120.719 118.700 0.091 0.000 2.468 40 N HA 0.083 5.215 4.740 0.655 0.000 0.265 40 N C -0.573 175.064 175.510 0.211 0.000 1.199 40 N CA 0.477 53.597 53.050 0.117 0.000 0.928 40 N CB 0.287 38.821 38.487 0.078 0.000 1.059 40 N HN 0.364 nan 8.380 nan 0.000 0.467 41 I N 2.766 123.482 120.570 0.244 0.000 2.389 41 I HA 0.315 4.878 4.170 0.655 0.000 0.288 41 I C -0.833 175.543 176.117 0.432 0.000 0.999 41 I CA -0.680 60.822 61.300 0.336 0.000 1.129 41 I CB 0.958 39.046 38.000 0.146 0.000 1.288 41 I HN 0.285 nan 8.210 nan 0.000 0.444 42 F N 8.951 129.106 119.950 0.343 0.000 2.579 42 F HA 0.671 5.592 4.527 0.658 0.000 0.325 42 F C -0.790 175.238 175.800 0.379 0.000 1.162 42 F CA -0.732 57.447 58.000 0.298 0.000 0.946 42 F CB 1.079 40.215 39.000 0.225 0.000 1.211 42 F HN 0.285 nan 8.300 nan 0.000 0.447 43 I N 1.446 121.869 120.570 -0.245 0.000 3.042 43 I HA 0.686 5.249 4.170 0.655 0.000 0.310 43 I C -1.113 174.897 176.117 -0.179 0.000 1.117 43 I CA -0.931 60.346 61.300 -0.039 0.000 1.003 43 I CB 2.266 40.197 38.000 -0.115 0.000 1.228 43 I HN 0.405 nan 8.210 nan 0.000 0.443 44 S N 3.429 119.158 115.700 0.048 0.000 2.516 44 S HA 0.511 5.374 4.470 0.655 0.000 0.268 44 S C -1.923 172.471 174.600 -0.343 0.000 1.251 44 S CA -1.522 56.500 58.200 -0.296 0.000 1.153 44 S CB 0.641 63.708 63.200 -0.221 0.000 1.009 44 S HN 0.560 nan 8.310 nan 0.000 0.479 45 P HA -0.102 nan 4.420 nan 0.000 0.216 45 P C 1.543 178.776 177.300 -0.112 0.000 1.150 45 P CA 0.522 63.507 63.100 -0.192 0.000 0.837 45 P CB 0.145 31.716 31.700 -0.215 0.000 0.786 46 V N -0.538 119.252 119.914 -0.206 0.000 2.515 46 V HA -0.191 4.322 4.120 0.655 0.000 0.250 46 V C 2.432 178.482 176.094 -0.074 0.000 1.058 46 V CA 2.473 64.702 62.300 -0.117 0.000 1.064 46 V CB -1.116 30.577 31.823 -0.217 0.000 0.675 46 V HN 0.160 nan 8.190 nan 0.000 0.461 47 S N -0.632 114.985 115.700 -0.138 0.000 2.402 47 S HA -0.072 4.791 4.470 0.655 0.000 0.229 47 S C 1.766 176.348 174.600 -0.031 0.000 1.021 47 S CA 1.699 59.870 58.200 -0.047 0.000 0.974 47 S CB -0.382 62.846 63.200 0.047 0.000 0.800 47 S HN 0.640 nan 8.310 nan 0.000 0.484 48 I N 0.807 121.325 120.570 -0.087 0.000 2.406 48 I HA -0.041 4.522 4.170 0.655 0.000 0.249 48 I C 2.501 178.573 176.117 -0.076 0.000 1.122 48 I CA 0.797 62.065 61.300 -0.053 0.000 1.431 48 I CB -0.312 37.667 38.000 -0.036 0.000 1.087 48 I HN 0.233 nan 8.210 nan 0.000 0.424 49 S N 0.539 116.190 115.700 -0.083 0.000 2.402 49 S HA -0.138 4.725 4.470 0.655 0.000 0.229 49 S C 1.975 176.426 174.600 -0.250 0.000 1.021 49 S CA 1.294 59.389 58.200 -0.176 0.000 0.974 49 S CB -0.206 63.008 63.200 0.023 0.000 0.800 49 S HN 0.401 nan 8.310 nan 0.000 0.484 50 M N 1.392 120.880 119.600 -0.187 0.000 2.156 50 M HA -0.020 4.853 4.480 0.655 0.000 0.264 50 M C 2.165 178.253 176.300 -0.353 0.000 1.067 50 M CA 1.401 56.473 55.300 -0.378 0.000 1.131 50 M CB -0.336 32.255 32.600 -0.014 0.000 1.368 50 M HN 0.340 nan 8.290 nan 0.000 0.416 51 A N 0.719 123.424 122.820 -0.191 0.000 1.877 51 A HA -0.141 4.571 4.320 0.655 0.000 0.216 51 A C 1.991 179.466 177.584 -0.181 0.000 1.186 51 A CA 1.552 53.500 52.037 -0.148 0.000 0.620 51 A CB -1.058 17.931 19.000 -0.017 0.000 0.822 51 A HN 0.593 nan 8.150 nan 0.000 0.443 52 L N -1.067 120.053 121.223 -0.172 0.000 2.156 52 L HA -0.103 4.630 4.340 0.655 0.000 0.208 52 L C 2.999 179.760 176.870 -0.182 0.000 1.095 52 L CA 0.775 55.528 54.840 -0.145 0.000 0.770 52 L CB -0.423 41.552 42.059 -0.140 0.000 0.914 52 L HN 0.451 nan 8.230 nan 0.000 0.439 53 A N -0.359 122.283 122.820 -0.295 0.000 1.929 53 A HA -0.216 4.497 4.320 0.655 0.000 0.216 53 A C 2.318 179.769 177.584 -0.221 0.000 1.176 53 A CA 1.332 53.208 52.037 -0.268 0.000 0.628 53 A CB -0.403 18.253 19.000 -0.573 0.000 0.816 53 A HN 0.353 nan 8.150 nan 0.000 0.444 54 M N -0.488 118.756 119.600 -0.594 0.000 2.159 54 M HA -0.078 4.795 4.480 0.655 0.000 0.263 54 M C 1.969 178.108 176.300 -0.269 0.000 1.063 54 M CA 1.372 56.152 55.300 -0.867 0.000 1.110 54 M CB -0.138 31.764 32.600 -1.164 0.000 1.374 54 M HN 0.434 nan 8.290 nan 0.000 0.411 55 L N 0.219 121.361 121.223 -0.134 0.000 2.131 55 L HA -0.146 4.587 4.340 0.655 0.000 0.210 55 L C 2.403 179.316 176.870 0.072 0.000 1.092 55 L CA 2.272 57.139 54.840 0.044 0.000 0.759 55 L CB -0.900 41.186 42.059 0.044 0.000 0.903 55 L HN 0.501 nan 8.230 nan 0.000 0.435 56 S N -0.768 114.939 115.700 0.012 0.000 2.447 56 S HA -0.146 4.717 4.470 0.655 0.000 0.233 56 S C 1.982 176.613 174.600 0.052 0.000 1.006 56 S CA 0.573 58.778 58.200 0.008 0.000 0.957 56 S CB -0.575 62.630 63.200 0.009 0.000 0.773 56 S HN 0.526 nan 8.310 nan 0.000 0.507 57 L N 0.909 122.188 121.223 0.093 0.000 2.265 57 L HA 0.064 4.797 4.340 0.655 0.000 0.215 57 L C 2.525 179.549 176.870 0.256 0.000 1.117 57 L CA 1.069 55.985 54.840 0.126 0.000 0.782 57 L CB -0.544 41.536 42.059 0.035 0.000 0.914 57 L HN 0.584 nan 8.230 nan 0.000 0.441 58 G N -1.419 107.469 108.800 0.147 0.000 3.126 58 G HA2 0.019 4.372 3.960 0.655 0.000 0.224 58 G HA3 0.019 4.372 3.960 0.655 0.000 0.224 58 G C 0.631 175.450 174.900 -0.136 0.000 1.142 58 G CA 0.440 45.407 45.100 -0.222 0.000 0.759 58 G HN 0.329 nan 8.290 nan 0.000 0.550 59 T N -2.771 111.704 114.554 -0.132 0.000 2.934 59 T HA 0.622 5.365 4.350 0.655 0.000 0.283 59 T C -0.568 174.031 174.700 -0.168 0.000 1.005 59 T CA -0.902 61.033 62.100 -0.273 0.000 1.041 59 T CB 2.244 70.886 68.868 -0.378 0.000 1.042 59 T HN -0.008 nan 8.240 nan 0.000 0.505 60 C N 0.406 119.596 119.300 -0.182 0.000 3.241 60 C HA 0.868 5.720 4.460 0.655 0.000 0.312 60 C C 1.283 176.214 174.990 -0.099 0.000 1.350 60 C CA 0.897 59.851 59.018 -0.108 0.000 1.415 60 C CB 0.878 28.572 27.740 -0.075 0.000 1.770 60 C HN 1.610 nan 8.230 nan 0.000 0.466 61 G N 2.038 110.803 108.800 -0.058 0.000 2.574 61 G HA2 -0.299 4.054 3.960 0.655 0.000 0.286 61 G HA3 -0.299 4.054 3.960 0.655 0.000 0.286 61 G C 0.957 175.845 174.900 -0.019 0.000 1.212 61 G CA 0.954 46.039 45.100 -0.024 0.000 0.979 61 G HN 1.119 nan 8.290 nan 0.000 0.557 62 H N 1.162 120.189 119.070 -0.072 0.000 2.428 62 H HA -0.048 4.897 4.556 0.648 0.000 0.296 62 H C 2.892 178.166 175.328 -0.090 0.000 1.062 62 H CA 2.297 58.306 56.048 -0.065 0.000 1.350 62 H CB -0.324 29.408 29.762 -0.050 0.000 1.403 62 H HN 0.496 nan 8.280 nan 0.000 0.533 63 T N 1.090 115.608 114.554 -0.060 0.000 2.720 63 T HA -0.134 4.608 4.350 0.655 0.000 0.268 63 T C 2.167 176.733 174.700 -0.223 0.000 1.037 63 T CA 0.880 62.875 62.100 -0.174 0.000 1.144 63 T CB -0.006 68.687 68.868 -0.292 0.000 0.864 63 T HN 0.261 nan 8.240 nan 0.000 0.444 64 R N 1.001 121.383 120.500 -0.196 0.000 2.066 64 R HA 0.033 4.766 4.340 0.655 0.000 0.232 64 R C 2.627 178.841 176.300 -0.143 0.000 1.131 64 R CA 1.566 57.571 56.100 -0.159 0.000 0.955 64 R CB -0.686 29.543 30.300 -0.118 0.000 0.851 64 R HN 0.413 nan 8.270 nan 0.000 0.432 65 A N 0.604 123.321 122.820 -0.172 0.000 1.898 65 A HA -0.185 4.528 4.320 0.655 0.000 0.216 65 A C 2.103 179.565 177.584 -0.203 0.000 1.181 65 A CA 1.310 53.241 52.037 -0.177 0.000 0.620 65 A CB -0.540 18.338 19.000 -0.203 0.000 0.819 65 A HN 0.455 nan 8.150 nan 0.000 0.442 66 Q N -1.125 118.490 119.800 -0.309 0.000 2.167 66 Q HA -0.140 4.593 4.340 0.655 0.000 0.202 66 Q C 1.956 177.888 176.000 -0.113 0.000 0.970 66 Q CA 1.438 57.099 55.803 -0.237 0.000 0.855 66 Q CB -0.129 28.452 28.738 -0.262 0.000 0.911 66 Q HN 0.569 nan 8.270 nan 0.000 0.438 67 L N 0.102 121.257 121.223 -0.114 0.000 2.095 67 L HA -0.084 4.649 4.340 0.655 0.000 0.204 67 L C 1.906 178.761 176.870 -0.025 0.000 1.080 67 L CA 1.440 56.236 54.840 -0.074 0.000 0.759 67 L CB -0.282 41.713 42.059 -0.107 0.000 0.914 67 L HN 0.214 nan 8.230 nan 0.000 0.439 68 L N -1.133 120.084 121.223 -0.010 0.000 2.109 68 L HA -0.159 4.574 4.340 0.655 0.000 0.207 68 L C 2.562 179.513 176.870 0.135 0.000 1.086 68 L CA 1.026 55.924 54.840 0.097 0.000 0.760 68 L CB -0.449 41.630 42.059 0.032 0.000 0.910 68 L HN 0.352 nan 8.230 nan 0.000 0.437 69 Q N -0.201 119.622 119.800 0.039 0.000 2.079 69 Q HA -0.119 4.614 4.340 0.655 0.000 0.200 69 Q C 2.296 178.307 176.000 0.019 0.000 0.974 69 Q CA 1.436 57.254 55.803 0.025 0.000 0.840 69 Q CB -0.369 28.363 28.738 -0.010 0.000 0.898 69 Q HN 0.562 nan 8.270 nan 0.000 0.430 70 G N 0.395 109.206 108.800 0.018 0.000 2.470 70 G HA2 -0.185 4.168 3.960 0.655 0.000 0.220 70 G HA3 -0.185 4.168 3.960 0.655 0.000 0.220 70 G C 1.224 176.168 174.900 0.073 0.000 1.121 70 G CA 0.386 45.517 45.100 0.052 0.000 0.766 70 G HN 0.204 nan 8.290 nan 0.000 0.553 71 L N -0.235 120.963 121.223 -0.042 0.000 2.554 71 L HA 0.263 4.996 4.340 0.655 0.000 0.226 71 L C 2.054 178.686 176.870 -0.397 0.000 1.137 71 L CA 0.609 55.287 54.840 -0.269 0.000 0.863 71 L CB 0.245 42.208 42.059 -0.161 0.000 0.985 71 L HN 0.381 nan 8.230 nan 0.000 0.451 72 G N -0.974 107.677 108.800 -0.248 0.000 2.179 72 G HA2 -0.245 4.108 3.960 0.655 0.000 0.220 72 G HA3 -0.245 4.108 3.960 0.655 0.000 0.220 72 G C 0.053 174.764 174.900 -0.316 0.000 0.990 72 G CA -0.640 44.295 45.100 -0.274 0.000 0.646 72 G HN 0.093 nan 8.290 nan 0.000 0.517 73 F N 1.343 121.281 119.950 -0.020 0.000 2.384 73 F HA 0.463 5.377 4.527 0.645 0.000 0.338 73 F C 0.814 176.595 175.800 -0.031 0.000 1.103 73 F CA -1.076 56.904 58.000 -0.034 0.000 1.157 73 F CB 0.982 39.949 39.000 -0.055 0.000 1.167 73 F HN 0.042 nan 8.300 nan 0.000 0.529 74 N N 4.459 123.261 118.700 0.169 0.000 2.546 74 N HA 0.316 5.449 4.740 0.655 0.000 0.238 74 N C -0.780 174.765 175.510 0.058 0.000 0.984 74 N CA -0.215 52.884 53.050 0.082 0.000 0.935 74 N CB 0.476 38.994 38.487 0.052 0.000 1.122 74 N HN 0.549 nan 8.380 nan 0.000 0.510 80 E N 0.713 120.838 120.200 -0.124 0.000 2.072 80 E HA -0.129 4.614 4.350 0.655 0.000 0.191 80 E C 1.798 178.278 176.600 -0.200 0.000 0.985 80 E CA 2.041 58.328 56.400 -0.189 0.000 0.801 80 E CB -0.491 29.160 29.700 -0.082 0.000 0.750 80 E HN 0.831 nan 8.360 nan 0.000 0.452 81 T N -1.224 113.271 114.554 -0.098 0.000 2.833 81 T HA -0.132 4.611 4.350 0.655 0.000 0.269 81 T C 1.593 176.220 174.700 -0.122 0.000 1.054 81 T CA 1.362 63.408 62.100 -0.090 0.000 1.135 81 T CB -0.294 68.587 68.868 0.022 0.000 0.869 81 T HN 0.229 nan 8.240 nan 0.000 0.466 82 E N 0.667 120.791 120.200 -0.127 0.000 2.208 82 E HA 0.070 4.813 4.350 0.655 0.000 0.193 82 E C 2.053 178.515 176.600 -0.231 0.000 0.988 82 E CA 0.668 56.986 56.400 -0.136 0.000 0.828 82 E CB -0.274 29.367 29.700 -0.098 0.000 0.763 82 E HN 0.564 nan 8.360 nan 0.000 0.478 83 I N 0.784 121.144 120.570 -0.350 0.000 2.233 83 I HA -0.239 4.324 4.170 0.655 0.000 0.243 83 I C 2.207 178.091 176.117 -0.389 0.000 1.093 83 I CA 0.963 61.957 61.300 -0.510 0.000 1.380 83 I CB -0.217 37.244 38.000 -0.897 0.000 1.067 83 I HN 0.174 nan 8.210 nan 0.000 0.413 84 H N 0.466 119.365 119.070 -0.285 0.000 2.462 84 H HA -0.073 4.872 4.556 0.648 0.000 0.292 84 H C 2.094 177.271 175.328 -0.252 0.000 1.049 84 H CA 1.006 56.849 56.048 -0.342 0.000 1.334 84 H CB -0.145 29.118 29.762 -0.832 0.000 1.404 84 H HN 0.482 nan 8.280 nan 0.000 0.544 85 Q N -0.090 119.654 119.800 -0.093 0.000 2.167 85 Q HA -0.057 4.676 4.340 0.655 0.000 0.202 85 Q C 2.511 178.256 176.000 -0.426 0.000 0.970 85 Q CA 0.925 56.687 55.803 -0.069 0.000 0.855 85 Q CB -0.009 28.698 28.738 -0.051 0.000 0.911 85 Q HN 0.453 nan 8.270 nan 0.000 0.438 86 G N -0.225 108.347 108.800 -0.380 0.000 2.408 86 G HA2 -0.214 4.139 3.960 0.655 0.000 0.217 86 G HA3 -0.214 4.139 3.960 0.655 0.000 0.217 86 G C 0.953 175.669 174.900 -0.305 0.000 1.150 86 G CA 0.338 45.191 45.100 -0.412 0.000 0.776 86 G HN 0.231 nan 8.290 nan 0.000 0.542 87 F N 0.458 120.309 119.950 -0.165 0.000 2.456 87 F HA 0.104 5.032 4.527 0.668 0.000 0.298 87 F C 2.780 178.497 175.800 -0.139 0.000 1.104 87 F CA 1.071 58.996 58.000 -0.124 0.000 1.435 87 F CB -0.032 38.883 39.000 -0.142 0.000 1.078 87 F HN 0.170 nan 8.300 nan 0.000 0.546 88 Q N -0.625 119.177 119.800 0.004 0.000 2.119 88 Q HA -0.202 4.531 4.340 0.655 0.000 0.201 88 Q C 2.000 178.135 176.000 0.225 0.000 0.972 88 Q CA 1.503 57.350 55.803 0.072 0.000 0.847 88 Q CB -0.050 28.735 28.738 0.078 0.000 0.903 88 Q HN 0.379 nan 8.270 nan 0.000 0.433 89 H N 0.050 119.132 119.070 0.020 0.000 2.293 89 H HA -0.128 4.821 4.556 0.656 0.000 0.300 89 H C 1.939 177.281 175.328 0.023 0.000 1.082 89 H CA 1.295 57.349 56.048 0.011 0.000 1.308 89 H CB -0.370 29.394 29.762 0.004 0.000 1.375 89 H HN 0.163 nan 8.280 nan 0.000 0.495 90 L N -0.013 121.314 121.223 0.174 0.000 2.012 90 L HA -0.197 4.536 4.340 0.655 0.000 0.210 90 L C 2.588 179.568 176.870 0.183 0.000 1.073 90 L CA 1.891 56.815 54.840 0.140 0.000 0.748 90 L CB -0.985 41.129 42.059 0.092 0.000 0.891 90 L HN 0.485 nan 8.230 nan 0.000 0.431 91 H N -0.676 118.461 119.070 0.111 0.000 2.389 91 H HA -0.140 4.811 4.556 0.658 0.000 0.299 91 H C 2.001 177.385 175.328 0.094 0.000 1.081 91 H CA 1.694 57.807 56.048 0.107 0.000 1.345 91 H CB 0.393 30.203 29.762 0.080 0.000 1.393 91 H HN 0.469 nan 8.280 nan 0.000 0.520 92 Q N 0.026 119.806 119.800 -0.034 0.000 2.187 92 Q HA -0.011 4.722 4.340 0.655 0.000 0.199 92 Q C 2.590 178.517 176.000 -0.122 0.000 0.957 92 Q CA 0.730 56.460 55.803 -0.121 0.000 0.857 92 Q CB 0.370 29.076 28.738 -0.052 0.000 0.929 92 Q HN 0.438 nan 8.270 nan 0.000 0.453 93 L N -1.024 120.149 121.223 -0.083 0.000 2.270 93 L HA -0.010 4.723 4.340 0.655 0.000 0.210 93 L C 0.919 177.755 176.870 -0.056 0.000 1.104 93 L CA 0.216 54.965 54.840 -0.152 0.000 0.804 93 L CB 0.145 42.060 42.059 -0.240 0.000 0.937 93 L HN 0.133 nan 8.230 nan 0.000 0.450 94 F N 1.333 121.227 119.950 -0.094 0.000 2.833 94 F HA 0.389 5.312 4.527 0.659 0.000 0.327 94 F C 0.429 176.206 175.800 -0.037 0.000 1.184 94 F CA -0.626 57.359 58.000 -0.025 0.000 1.328 94 F CB -0.113 38.903 39.000 0.027 0.000 1.440 94 F HN -0.125 nan 8.300 nan 0.000 0.569 95 A N 3.220 125.972 122.820 -0.113 0.000 2.651 95 A HA 0.588 5.301 4.320 0.655 0.000 0.290 95 A C -0.722 176.791 177.584 -0.119 0.000 1.185 95 A CA -0.616 51.362 52.037 -0.098 0.000 0.746 95 A CB 0.592 19.529 19.000 -0.105 0.000 1.213 95 A HN 0.384 nan 8.150 nan 0.000 0.429 96 K N 0.635 120.961 120.400 -0.125 0.000 2.532 96 K HA 0.650 5.362 4.320 0.655 0.000 0.265 96 K C -0.726 175.833 176.600 -0.068 0.000 0.948 96 K CA -0.115 56.110 56.287 -0.103 0.000 0.842 96 K CB 1.816 34.237 32.500 -0.133 0.000 1.392 96 K HN 0.772 nan 8.250 nan 0.000 0.436 97 S N 1.057 116.727 115.700 -0.050 0.000 2.539 97 S HA 0.277 5.140 4.470 0.655 0.000 0.185 97 S C -0.921 173.658 174.600 -0.034 0.000 1.181 97 S CA -0.853 57.327 58.200 -0.033 0.000 1.216 97 S CB 0.188 63.375 63.200 -0.022 0.000 1.476 97 S HN 0.513 nan 8.310 nan 0.000 0.395 98 D N 1.477 121.852 120.400 -0.042 0.000 2.469 98 D HA 0.364 5.397 4.640 0.655 0.000 0.278 98 D C 1.442 177.723 176.300 -0.031 0.000 1.231 98 D CA -0.343 53.638 54.000 -0.033 0.000 1.075 98 D CB 0.482 41.263 40.800 -0.031 0.000 1.121 98 D HN 0.250 nan 8.370 nan 0.000 0.571 99 T N -1.609 112.931 114.554 -0.024 0.000 3.014 99 T HA -0.007 4.736 4.350 0.655 0.000 0.263 99 T C 1.258 175.943 174.700 -0.026 0.000 1.078 99 T CA 1.041 63.129 62.100 -0.020 0.000 1.135 99 T CB 0.005 68.867 68.868 -0.011 0.000 0.895 99 T HN 0.153 nan 8.240 nan 0.000 0.480 100 S N -0.218 115.465 115.700 -0.028 0.000 2.520 100 S HA 0.440 5.303 4.470 0.655 0.000 0.219 100 S C -0.373 174.184 174.600 -0.072 0.000 1.028 100 S CA -0.439 57.743 58.200 -0.031 0.000 0.921 100 S CB 0.673 63.874 63.200 0.002 0.000 0.844 100 S HN 0.375 nan 8.310 nan 0.000 0.495 101 L N 2.123 123.295 121.223 -0.086 0.000 2.470 101 L HA 0.517 5.250 4.340 0.655 0.000 0.268 101 L C -1.697 175.088 176.870 -0.141 0.000 0.964 101 L CA -0.118 54.635 54.840 -0.145 0.000 0.839 101 L CB 1.910 43.912 42.059 -0.094 0.000 1.276 101 L HN -0.107 nan 8.230 nan 0.000 0.403 102 E N 6.194 126.278 120.200 -0.193 0.000 2.216 102 E HA 0.607 5.350 4.350 0.655 0.000 0.260 102 E C -1.381 175.152 176.600 -0.113 0.000 0.880 102 E CA -0.464 55.884 56.400 -0.088 0.000 0.765 102 E CB 2.038 31.767 29.700 0.048 0.000 1.174 102 E HN 0.555 nan 8.360 nan 0.000 0.417 103 M N 1.959 121.486 119.600 -0.121 0.000 2.267 103 M HA 0.376 5.249 4.480 0.655 0.000 0.289 103 M C -0.644 175.660 176.300 0.007 0.000 1.043 103 M CA -0.581 54.567 55.300 -0.253 0.000 0.928 103 M CB 2.675 34.679 32.600 -0.993 0.000 1.613 103 M HN 0.295 nan 8.290 nan 0.000 0.450 104 T N 3.729 118.496 114.554 0.355 0.000 2.933 104 T HA 0.813 5.556 4.350 0.655 0.000 0.305 104 T C -1.705 173.327 174.700 0.552 0.000 1.092 104 T CA -0.532 61.816 62.100 0.413 0.000 1.008 104 T CB 1.751 70.841 68.868 0.371 0.000 1.102 104 T HN 0.840 nan 8.240 nan 0.000 0.469 105 M N 3.209 123.006 119.600 0.328 0.000 2.365 105 M HA 0.655 5.528 4.480 0.655 0.000 0.287 105 M C -1.053 175.172 176.300 -0.125 0.000 1.154 105 M CA -0.255 55.076 55.300 0.053 0.000 0.941 105 M CB 1.916 34.626 32.600 0.184 0.000 1.704 105 M HN 0.895 nan 8.290 nan 0.000 0.479 106 G N 2.415 110.773 108.800 -0.737 0.000 2.623 106 G HA2 0.516 4.869 3.960 0.655 0.000 0.290 106 G HA3 0.516 4.869 3.960 0.655 0.000 0.290 106 G C -2.275 172.468 174.900 -0.261 0.000 1.437 106 G CA -0.708 44.161 45.100 -0.385 0.000 0.798 106 G HN 0.675 nan 8.290 nan 0.000 0.488 107 N N -0.496 118.220 118.700 0.027 0.000 2.240 107 N HA 0.730 5.862 4.740 0.655 0.000 0.302 107 N C -0.868 174.727 175.510 0.140 0.000 1.106 107 N CA -0.381 52.718 53.050 0.082 0.000 0.778 107 N CB 2.547 41.017 38.487 -0.028 0.000 1.431 107 N HN 0.922 nan 8.380 nan 0.000 0.479 108 A N 1.415 124.302 122.820 0.111 0.000 2.486 108 A HA 0.512 5.225 4.320 0.655 0.000 0.300 108 A C -1.593 175.898 177.584 -0.154 0.000 1.048 108 A CA -0.601 51.367 52.037 -0.116 0.000 0.696 108 A CB 1.483 20.274 19.000 -0.349 0.000 1.278 108 A HN 0.510 nan 8.150 nan 0.000 0.405 109 L N 2.848 123.904 121.223 -0.278 0.000 2.316 109 L HA 0.581 5.314 4.340 0.655 0.000 0.280 109 L C -1.723 174.989 176.870 -0.264 0.000 1.006 109 L CA -0.311 54.449 54.840 -0.134 0.000 0.836 109 L CB 0.356 42.394 42.059 -0.036 0.000 1.221 109 L HN 0.693 nan 8.230 nan 0.000 0.418 110 F N 5.766 125.721 119.950 0.008 0.000 2.404 110 F HA 0.394 5.310 4.527 0.648 0.000 0.358 110 F C 0.128 176.053 175.800 0.208 0.000 1.120 110 F CA -0.422 57.597 58.000 0.032 0.000 1.144 110 F CB 1.343 40.343 39.000 0.000 0.000 1.133 110 F HN 0.320 nan 8.300 nan 0.000 0.495 111 L N 3.643 125.041 121.223 0.292 0.000 2.365 111 L HA 0.452 5.185 4.340 0.655 0.000 0.273 111 L C -0.519 176.551 176.870 0.334 0.000 1.000 111 L CA -0.592 54.429 54.840 0.301 0.000 0.819 111 L CB 1.348 43.492 42.059 0.142 0.000 1.284 111 L HN 0.421 nan 8.230 nan 0.000 0.418 112 D N 2.409 123.085 120.400 0.460 0.000 2.443 112 D HA 0.184 5.217 4.640 0.655 0.000 0.239 112 D C 1.276 177.676 176.300 0.167 0.000 1.136 112 D CA 1.060 55.291 54.000 0.385 0.000 0.879 112 D CB 1.787 42.833 40.800 0.411 0.000 1.195 112 D HN 0.708 nan 8.370 nan 0.000 0.443 113 G N 1.406 110.267 108.800 0.101 0.000 2.450 113 G HA2 -0.254 4.099 3.960 0.655 0.000 0.220 113 G HA3 -0.254 4.099 3.960 0.655 0.000 0.220 113 G C 1.377 176.313 174.900 0.059 0.000 1.130 113 G CA 1.095 46.228 45.100 0.056 0.000 0.760 113 G HN 0.552 nan 8.290 nan 0.000 0.557 114 S N -0.990 114.756 115.700 0.076 0.000 2.555 114 S HA 0.251 5.114 4.470 0.655 0.000 0.230 114 S C 0.789 175.422 174.600 0.054 0.000 0.978 114 S CA -0.017 58.219 58.200 0.060 0.000 0.934 114 S CB 0.064 63.302 63.200 0.063 0.000 0.766 114 S HN 0.088 nan 8.310 nan 0.000 0.533 115 L N 1.683 122.946 121.223 0.067 0.000 2.334 115 L HA 0.641 5.374 4.340 0.655 0.000 0.276 115 L C -0.817 176.085 176.870 0.053 0.000 1.014 115 L CA -0.114 54.760 54.840 0.057 0.000 0.815 115 L CB 1.935 44.036 42.059 0.069 0.000 1.268 115 L HN 0.265 nan 8.230 nan 0.000 0.428 116 E N 3.590 123.815 120.200 0.043 0.000 2.256 116 E HA 0.447 5.190 4.350 0.655 0.000 0.268 116 E C -1.066 175.565 176.600 0.052 0.000 0.877 116 E CA -0.648 55.779 56.400 0.045 0.000 0.757 116 E CB 2.773 32.495 29.700 0.036 0.000 1.183 116 E HN 0.460 nan 8.360 nan 0.000 0.418 117 L N 3.143 124.414 121.223 0.080 0.000 2.417 117 L HA 0.292 5.025 4.340 0.655 0.000 0.268 117 L C 0.065 177.001 176.870 0.110 0.000 1.158 117 L CA -0.558 54.358 54.840 0.126 0.000 0.819 117 L CB 0.281 42.480 42.059 0.234 0.000 1.112 117 L HN 0.377 nan 8.230 nan 0.000 0.458 118 L N 2.429 123.721 121.223 0.115 0.000 2.416 118 L HA 0.021 4.754 4.340 0.655 0.000 0.272 118 L C 1.652 178.603 176.870 0.134 0.000 1.161 118 L CA -0.077 54.823 54.840 0.099 0.000 0.845 118 L CB 0.644 42.748 42.059 0.075 0.000 1.119 118 L HN 0.737 nan 8.230 nan 0.000 0.464 119 E N 0.968 121.217 120.200 0.082 0.000 2.204 119 E HA -0.202 4.541 4.350 0.655 0.000 0.195 119 E C 1.671 178.306 176.600 0.058 0.000 0.990 119 E CA 1.346 57.782 56.400 0.060 0.000 0.821 119 E CB -0.030 29.690 29.700 0.033 0.000 0.750 119 E HN 0.783 nan 8.360 nan 0.000 0.477 120 S N 0.684 116.431 115.700 0.078 0.000 2.387 120 S HA -0.161 4.702 4.470 0.655 0.000 0.226 120 S C 1.851 176.518 174.600 0.112 0.000 1.026 120 S CA 0.675 58.919 58.200 0.074 0.000 0.972 120 S CB -0.630 62.613 63.200 0.071 0.000 0.814 120 S HN 0.407 nan 8.310 nan 0.000 0.477 121 F N 3.796 123.749 119.950 0.005 0.000 2.128 121 F HA -0.015 4.911 4.527 0.665 0.000 0.295 121 F C 2.626 178.432 175.800 0.009 0.000 1.100 121 F CA 1.477 59.480 58.000 0.005 0.000 1.260 121 F CB -0.771 38.230 39.000 0.003 0.000 1.009 121 F HN 0.344 nan 8.300 nan 0.000 0.476 122 S N 0.722 116.381 115.700 -0.070 0.000 2.399 122 S HA -0.131 4.732 4.470 0.655 0.000 0.231 122 S C 2.237 176.748 174.600 -0.149 0.000 1.022 122 S CA 0.832 58.931 58.200 -0.169 0.000 0.983 122 S CB -1.228 61.963 63.200 -0.014 0.000 0.803 122 S HN 0.452 nan 8.310 nan 0.000 0.480 123 A N 2.113 124.886 122.820 -0.080 0.000 1.930 123 A HA -0.060 4.653 4.320 0.655 0.000 0.217 123 A C 1.952 179.497 177.584 -0.065 0.000 1.175 123 A CA 1.589 53.589 52.037 -0.062 0.000 0.627 123 A CB -0.817 18.156 19.000 -0.045 0.000 0.815 123 A HN 0.475 nan 8.150 nan 0.000 0.443 124 D N 0.252 120.613 120.400 -0.064 0.000 2.097 124 D HA -0.136 4.897 4.640 0.655 0.000 0.197 124 D C 1.948 178.291 176.300 0.071 0.000 0.984 124 D CA 1.678 55.709 54.000 0.053 0.000 0.826 124 D CB -0.419 40.422 40.800 0.068 0.000 0.973 124 D HN 0.693 nan 8.370 nan 0.000 0.460 125 I N -1.533 118.927 120.570 -0.184 0.000 2.493 125 I HA -0.111 4.452 4.170 0.655 0.000 0.254 125 I C 1.745 177.840 176.117 -0.037 0.000 1.160 125 I CA 1.117 62.327 61.300 -0.151 0.000 1.445 125 I CB -0.130 37.583 38.000 -0.479 0.000 1.086 125 I HN -0.185 nan 8.210 nan 0.000 0.433 126 K N 0.068 120.428 120.400 -0.068 0.000 2.137 126 K HA -0.095 4.618 4.320 0.655 0.000 0.202 126 K C 2.274 178.854 176.600 -0.033 0.000 1.052 126 K CA 0.888 57.149 56.287 -0.043 0.000 0.961 126 K CB -0.350 32.121 32.500 -0.049 0.000 0.741 126 K HN 0.467 nan 8.250 nan 0.000 0.452 127 H N -0.277 118.698 119.070 -0.158 0.000 2.307 127 H HA -0.090 4.857 4.556 0.653 0.000 0.303 127 H C 1.381 176.524 175.328 -0.307 0.000 1.073 127 H CA 1.775 57.649 56.048 -0.291 0.000 1.338 127 H CB 0.142 29.604 29.762 -0.500 0.000 1.389 127 H HN 0.221 nan 8.280 nan 0.000 0.503 128 Y N -1.454 118.825 120.300 -0.036 0.000 2.448 128 Y HA -0.047 4.897 4.550 0.656 0.000 0.289 128 Y C 1.289 176.913 175.900 -0.460 0.000 1.114 128 Y CA 0.537 58.501 58.100 -0.226 0.000 1.235 128 Y CB 0.293 38.656 38.460 -0.161 0.000 1.045 128 Y HN 0.172 nan 8.280 nan 0.000 0.554 129 Y N -1.010 119.280 120.300 -0.017 0.000 2.471 129 Y HA 0.167 5.120 4.550 0.670 0.000 0.249 129 Y C 0.584 176.292 175.900 -0.320 0.000 1.116 129 Y CA -0.587 57.399 58.100 -0.190 0.000 1.240 129 Y CB 0.418 38.776 38.460 -0.170 0.000 1.251 129 Y HN -0.050 nan 8.280 nan 0.000 0.527 130 E N 1.341 121.508 120.200 -0.055 0.000 2.328 130 E HA -0.231 4.512 4.350 0.655 0.000 0.233 130 E C -0.212 176.378 176.600 -0.017 0.000 1.219 130 E CA 0.370 56.757 56.400 -0.021 0.000 0.717 130 E CB -0.757 28.994 29.700 0.085 0.000 1.210 130 E HN 0.223 nan 8.360 nan 0.000 0.381 131 S N 0.141 115.821 115.700 -0.033 0.000 2.565 131 S HA 0.109 4.972 4.470 0.655 0.000 0.276 131 S C -0.056 174.511 174.600 -0.056 0.000 1.326 131 S CA -0.400 57.773 58.200 -0.045 0.000 1.045 131 S CB 0.827 63.973 63.200 -0.089 0.000 0.918 131 S HN 0.279 nan 8.310 nan 0.000 0.505 132 E N 2.242 122.404 120.200 -0.063 0.000 2.289 132 E HA 0.278 5.021 4.350 0.655 0.000 0.278 132 E C -0.965 175.510 176.600 -0.208 0.000 1.032 132 E CA -0.460 55.870 56.400 -0.118 0.000 0.854 132 E CB 1.201 30.826 29.700 -0.125 0.000 1.046 132 E HN 0.349 nan 8.360 nan 0.000 0.409 133 V N 5.555 125.366 119.914 -0.172 0.000 2.293 133 V HA 0.226 4.739 4.120 0.655 0.000 0.275 133 V C -0.257 175.724 176.094 -0.187 0.000 1.021 133 V CA -0.474 61.725 62.300 -0.167 0.000 0.815 133 V CB 0.159 31.930 31.823 -0.087 0.000 1.025 133 V HN 0.497 nan 8.190 nan 0.000 0.448 134 L N 4.323 125.367 121.223 -0.298 0.000 2.287 134 L HA 0.727 5.460 4.340 0.655 0.000 0.287 134 L C 0.699 177.492 176.870 -0.128 0.000 1.022 134 L CA -0.500 54.187 54.840 -0.256 0.000 0.814 134 L CB 1.653 43.452 42.059 -0.433 0.000 1.217 134 L HN 0.649 nan 8.230 nan 0.000 0.420 135 A N 5.981 128.756 122.820 -0.075 0.000 2.454 135 A HA 0.667 5.380 4.320 0.655 0.000 0.260 135 A C -0.081 177.458 177.584 -0.075 0.000 1.106 135 A CA -0.064 51.949 52.037 -0.041 0.000 0.780 135 A CB 0.301 19.284 19.000 -0.030 0.000 1.044 135 A HN 0.638 nan 8.150 nan 0.000 0.498 136 M N 1.719 121.251 119.600 -0.113 0.000 2.644 136 M HA 0.310 5.182 4.480 0.655 0.000 0.304 136 M C -0.747 175.376 176.300 -0.295 0.000 1.215 136 M CA -0.787 54.326 55.300 -0.312 0.000 0.871 136 M CB 1.953 34.141 32.600 -0.686 0.000 1.740 136 M HN 0.755 nan 8.290 nan 0.000 0.464 137 N N 0.963 119.473 118.700 -0.318 0.000 2.699 137 N HA 0.354 5.487 4.740 0.655 0.000 0.232 137 N C -0.414 175.005 175.510 -0.152 0.000 1.027 137 N CA -0.116 52.842 53.050 -0.153 0.000 0.920 137 N CB 0.068 38.511 38.487 -0.074 0.000 1.148 137 N HN 0.447 nan 8.380 nan 0.000 0.509 138 F N 0.687 120.699 119.950 0.104 0.000 2.748 138 F HA 0.047 4.974 4.527 0.667 0.000 0.299 138 F C 2.085 178.070 175.800 0.308 0.000 1.154 138 F CA 0.374 58.520 58.000 0.243 0.000 1.446 138 F CB 0.299 39.489 39.000 0.316 0.000 1.112 138 F HN 0.526 nan 8.300 nan 0.000 0.584 139 Q N -0.467 119.512 119.800 0.297 0.000 2.172 139 Q HA -0.150 4.583 4.340 0.655 0.000 0.200 139 Q C 0.500 176.615 176.000 0.192 0.000 0.964 139 Q CA 0.775 56.702 55.803 0.207 0.000 0.855 139 Q CB -0.023 28.789 28.738 0.123 0.000 0.918 139 Q HN 0.120 nan 8.270 nan 0.000 0.444 140 D N -0.186 120.301 120.400 0.145 0.000 2.563 140 D HA -0.052 4.981 4.640 0.655 0.000 0.222 140 D C 0.042 176.429 176.300 0.145 0.000 1.145 140 D CA -0.160 53.903 54.000 0.106 0.000 1.001 140 D CB -0.233 40.578 40.800 0.019 0.000 1.049 140 D HN 0.334 nan 8.370 nan 0.000 0.515 141 W N 3.052 124.373 121.300 0.035 0.000 2.467 141 W HA -0.140 4.908 4.660 0.646 0.000 0.275 141 W C 1.311 177.854 176.519 0.039 0.000 1.239 141 W CA 1.008 58.396 57.345 0.072 0.000 1.266 141 W CB 0.321 29.844 29.460 0.105 0.000 1.112 141 W HN 0.417 nan 8.180 nan 0.000 0.576 142 A N 0.651 123.524 122.820 0.088 0.000 1.873 142 A HA -0.239 4.474 4.320 0.655 0.000 0.215 142 A C 1.967 179.481 177.584 -0.117 0.000 1.186 142 A CA 2.849 54.879 52.037 -0.011 0.000 0.616 142 A CB -1.406 17.619 19.000 0.041 0.000 0.823 142 A HN 0.336 nan 8.150 nan 0.000 0.442 143 T N -2.350 112.140 114.554 -0.108 0.000 2.904 143 T HA 0.153 4.896 4.350 0.655 0.000 0.267 143 T C 1.933 176.486 174.700 -0.246 0.000 1.059 143 T CA 1.539 63.553 62.100 -0.143 0.000 1.137 143 T CB -0.494 68.312 68.868 -0.104 0.000 0.879 143 T HN 0.515 nan 8.240 nan 0.000 0.467 144 A N 2.407 125.029 122.820 -0.330 0.000 1.877 144 A HA -0.025 4.688 4.320 0.655 0.000 0.216 144 A C 2.768 179.951 177.584 -0.667 0.000 1.186 144 A CA 2.279 53.999 52.037 -0.528 0.000 0.620 144 A CB -1.146 17.475 19.000 -0.632 0.000 0.822 144 A HN 0.758 nan 8.150 nan 0.000 0.443 145 S N -0.387 114.905 115.700 -0.681 0.000 2.402 145 S HA -0.113 4.750 4.470 0.655 0.000 0.229 145 S C 1.965 176.328 174.600 -0.396 0.000 1.021 145 S CA 1.017 58.827 58.200 -0.650 0.000 0.974 145 S CB -0.414 62.511 63.200 -0.458 0.000 0.800 145 S HN 0.579 nan 8.310 nan 0.000 0.484 146 R N 0.810 121.136 120.500 -0.290 0.000 2.115 146 R HA 0.027 4.760 4.340 0.655 0.000 0.226 146 R C 2.675 178.854 176.300 -0.202 0.000 1.100 146 R CA 1.270 57.256 56.100 -0.190 0.000 0.980 146 R CB -0.305 29.917 30.300 -0.131 0.000 0.875 146 R HN 0.610 nan 8.270 nan 0.000 0.445 147 Q N 0.722 120.359 119.800 -0.271 0.000 2.123 147 Q HA -0.085 4.648 4.340 0.655 0.000 0.199 147 Q C 1.983 177.806 176.000 -0.294 0.000 0.966 147 Q CA 1.082 56.747 55.803 -0.230 0.000 0.845 147 Q CB 0.134 28.732 28.738 -0.234 0.000 0.907 147 Q HN 0.320 nan 8.270 nan 0.000 0.439 148 I N 0.900 121.115 120.570 -0.591 0.000 2.286 148 I HA -0.251 4.311 4.170 0.655 0.000 0.245 148 I C 1.962 177.907 176.117 -0.286 0.000 1.104 148 I CA 0.626 61.462 61.300 -0.773 0.000 1.397 148 I CB -0.354 36.901 38.000 -1.242 0.000 1.072 148 I HN 0.218 nan 8.210 nan 0.000 0.417 149 N N 0.846 119.409 118.700 -0.227 0.000 2.120 149 N HA -0.158 4.975 4.740 0.655 0.000 0.188 149 N C 2.078 177.568 175.510 -0.034 0.000 1.024 149 N CA 2.020 55.023 53.050 -0.079 0.000 0.852 149 N CB -0.322 38.126 38.487 -0.064 0.000 1.003 149 N HN 0.393 nan 8.380 nan 0.000 0.424 150 S N -0.373 115.299 115.700 -0.046 0.000 2.428 150 S HA -0.105 4.758 4.470 0.655 0.000 0.230 150 S C 2.030 176.630 174.600 -0.000 0.000 1.014 150 S CA 0.241 58.424 58.200 -0.028 0.000 0.957 150 S CB -0.660 62.519 63.200 -0.036 0.000 0.784 150 S HN 0.452 nan 8.310 nan 0.000 0.499 151 Y N 2.729 122.988 120.300 -0.068 0.000 2.145 151 Y HA -0.092 4.851 4.550 0.655 0.000 0.286 151 Y C 2.245 178.110 175.900 -0.058 0.000 1.145 151 Y CA 1.650 59.739 58.100 -0.018 0.000 1.148 151 Y CB -0.597 37.943 38.460 0.133 0.000 0.981 151 Y HN 0.125 nan 8.280 nan 0.000 0.507 152 V N 1.238 121.170 119.914 0.029 0.000 2.343 152 V HA -0.296 4.217 4.120 0.655 0.000 0.247 152 V C 2.458 178.481 176.094 -0.119 0.000 1.051 152 V CA 2.283 64.560 62.300 -0.039 0.000 1.036 152 V CB -0.747 31.159 31.823 0.139 0.000 0.654 152 V HN 0.379 nan 8.190 nan 0.000 0.451 153 K N 0.291 120.645 120.400 -0.077 0.000 2.032 153 K HA -0.230 4.483 4.320 0.655 0.000 0.209 153 K C 2.060 178.572 176.600 -0.146 0.000 1.048 153 K CA 1.923 58.165 56.287 -0.076 0.000 0.927 153 K CB -0.209 32.261 32.500 -0.050 0.000 0.712 153 K HN 0.439 nan 8.250 nan 0.000 0.441 154 N N 0.783 119.366 118.700 -0.196 0.000 2.188 154 N HA -0.119 5.014 4.740 0.655 0.000 0.184 154 N C 1.557 176.865 175.510 -0.336 0.000 1.018 154 N CA 0.956 53.866 53.050 -0.233 0.000 0.858 154 N CB -0.031 38.334 38.487 -0.204 0.000 0.989 154 N HN 0.176 nan 8.380 nan 0.000 0.426 155 K N 0.411 120.508 120.400 -0.505 0.000 2.155 155 K HA 0.007 4.720 4.320 0.655 0.000 0.203 155 K C 1.574 177.930 176.600 -0.408 0.000 1.052 155 K CA 1.011 56.895 56.287 -0.672 0.000 0.948 155 K CB -0.541 31.077 32.500 -1.469 0.000 0.728 155 K HN 0.388 nan 8.250 nan 0.000 0.448 156 T N -0.816 113.590 114.554 -0.247 0.000 3.188 156 T HA 0.072 4.815 4.350 0.655 0.000 0.250 156 T C 0.240 174.823 174.700 -0.194 0.000 1.077 156 T CA -0.254 61.832 62.100 -0.024 0.000 0.967 156 T CB 0.067 69.037 68.868 0.169 0.000 1.006 156 T HN 0.087 nan 8.240 nan 0.000 0.552 157 Q N 0.095 119.677 119.800 -0.364 0.000 2.487 157 Q HA -0.233 4.500 4.340 0.655 0.000 0.279 157 Q C 1.230 177.143 176.000 -0.145 0.000 1.228 157 Q CA 0.867 56.453 55.803 -0.361 0.000 0.873 157 Q CB -2.213 26.100 28.738 -0.709 0.000 1.260 157 Q HN 1.177 nan 8.270 nan 0.000 0.471 158 G N -0.598 108.147 108.800 -0.091 0.000 2.205 158 G HA2 -0.360 3.993 3.960 0.655 0.000 0.261 158 G HA3 -0.360 3.993 3.960 0.655 0.000 0.261 158 G C 0.913 175.826 174.900 0.021 0.000 0.980 158 G CA 0.633 45.713 45.100 -0.033 0.000 0.632 158 G HN 0.281 nan 8.290 nan 0.000 0.533 159 K N -0.233 120.210 120.400 0.071 0.000 2.217 159 K HA 0.162 4.875 4.320 0.655 0.000 0.202 159 K C 1.080 177.747 176.600 0.110 0.000 1.051 159 K CA 0.686 57.047 56.287 0.123 0.000 0.952 159 K CB 0.182 32.826 32.500 0.240 0.000 0.736 159 K HN 0.455 nan 8.250 nan 0.000 0.453 160 I N 2.447 123.081 120.570 0.107 0.000 2.359 160 I HA 0.160 4.723 4.170 0.655 0.000 0.284 160 I C -0.329 175.828 176.117 0.066 0.000 1.018 160 I CA -0.761 60.601 61.300 0.102 0.000 1.173 160 I CB 1.220 39.305 38.000 0.142 0.000 1.326 160 I HN -0.352 nan 8.210 nan 0.000 0.462 161 V N 5.296 125.242 119.914 0.054 0.000 2.483 161 V HA 0.367 4.880 4.120 0.655 0.000 0.295 161 V C -0.023 176.098 176.094 0.044 0.000 1.035 161 V CA -0.687 61.634 62.300 0.036 0.000 0.896 161 V CB 1.495 33.331 31.823 0.022 0.000 0.986 161 V HN 0.741 nan 8.190 nan 0.000 0.447 162 D N 2.156 122.579 120.400 0.040 0.000 2.828 162 D HA -0.176 4.857 4.640 0.655 0.000 0.241 162 D C 0.523 176.873 176.300 0.082 0.000 1.142 162 D CA 0.654 54.682 54.000 0.047 0.000 0.755 162 D CB -0.225 40.596 40.800 0.034 0.000 1.014 162 D HN 0.534 nan 8.370 nan 0.000 0.420 163 L N 0.038 121.329 121.223 0.114 0.000 2.007 163 L HA 0.075 4.808 4.340 0.655 0.000 0.205 163 L C 1.134 178.131 176.870 0.211 0.000 1.073 163 L CA 1.359 56.322 54.840 0.205 0.000 0.744 163 L CB -0.125 42.089 42.059 0.258 0.000 0.898 163 L HN 0.221 nan 8.230 nan 0.000 0.435 164 F N 1.592 121.435 119.950 -0.179 0.000 2.651 164 F HA 0.303 5.218 4.527 0.646 0.000 0.347 164 F C 0.142 175.827 175.800 -0.192 0.000 1.284 164 F CA -0.004 57.689 58.000 -0.512 0.000 1.175 164 F CB -0.423 38.194 39.000 -0.639 0.000 1.542 164 F HN 0.042 nan 8.300 nan 0.000 0.661 170 P HA 0.500 nan 4.420 nan 0.000 0.256 170 P C -0.547 176.645 177.300 -0.180 0.000 1.689 170 P CA -0.186 62.718 63.100 -0.327 0.000 1.124 170 P CB -0.127 31.433 31.700 -0.232 0.000 1.766 171 A N 2.693 125.456 122.820 -0.095 0.000 2.425 171 A HA 0.340 5.053 4.320 0.655 0.000 0.249 171 A C 0.950 178.299 177.584 -0.391 0.000 1.084 171 A CA -0.244 51.730 52.037 -0.106 0.000 0.781 171 A CB -0.145 18.900 19.000 0.076 0.000 1.019 171 A HN 0.552 nan 8.150 nan 0.000 0.490 172 I N -0.104 120.242 120.570 -0.372 0.000 4.323 172 I HA 0.439 5.002 4.170 0.655 0.000 0.328 172 I C -0.004 175.945 176.117 -0.280 0.000 1.310 172 I CA 0.271 61.379 61.300 -0.320 0.000 1.186 172 I CB -0.028 37.931 38.000 -0.068 0.000 1.130 172 I HN 0.402 nan 8.210 nan 0.000 0.411 173 L N 1.611 122.676 121.223 -0.264 0.000 2.438 173 L HA 0.776 5.509 4.340 0.655 0.000 0.270 173 L C -1.648 175.211 176.870 -0.019 0.000 0.972 173 L CA -0.772 54.029 54.840 -0.065 0.000 0.831 173 L CB 2.153 44.184 42.059 -0.047 0.000 1.273 173 L HN -0.179 nan 8.230 nan 0.000 0.405 174 V N 5.991 125.994 119.914 0.149 0.000 2.443 174 V HA 0.382 4.895 4.120 0.655 0.000 0.293 174 V C -0.241 176.038 176.094 0.309 0.000 1.021 174 V CA -0.438 62.010 62.300 0.247 0.000 0.848 174 V CB 1.731 33.679 31.823 0.209 0.000 0.998 174 V HN 0.652 nan 8.190 nan 0.000 0.424 175 L N 6.009 127.394 121.223 0.271 0.000 2.292 175 L HA 0.718 5.451 4.340 0.655 0.000 0.284 175 L C -0.805 176.254 176.870 0.314 0.000 1.065 175 L CA -0.143 54.836 54.840 0.232 0.000 0.806 175 L CB 1.429 43.575 42.059 0.146 0.000 1.175 175 L HN 0.470 nan 8.230 nan 0.000 0.431 176 V N 5.045 125.142 119.914 0.305 0.000 2.588 176 V HA 0.482 4.995 4.120 0.655 0.000 0.304 176 V C -0.526 175.765 176.094 0.328 0.000 1.042 176 V CA -0.806 61.728 62.300 0.391 0.000 0.877 176 V CB 1.874 34.011 31.823 0.524 0.000 0.996 176 V HN 0.797 nan 8.190 nan 0.000 0.425 177 N N 2.975 121.873 118.700 0.330 0.000 2.238 177 N HA 0.557 5.690 4.740 0.655 0.000 0.302 177 N C -1.756 173.976 175.510 0.371 0.000 1.072 177 N CA -0.268 52.936 53.050 0.256 0.000 0.792 177 N CB 2.837 41.404 38.487 0.132 0.000 1.425 177 N HN 0.721 nan 8.380 nan 0.000 0.478 178 Y N 1.228 121.684 120.300 0.259 0.000 2.553 178 Y HA 0.753 5.695 4.550 0.654 0.000 0.347 178 Y C -1.326 174.729 175.900 0.259 0.000 1.019 178 Y CA -1.124 57.132 58.100 0.259 0.000 1.032 178 Y CB 1.332 39.932 38.460 0.232 0.000 1.284 178 Y HN 0.385 nan 8.280 nan 0.000 0.466 179 I N 3.785 124.606 120.570 0.418 0.000 2.607 179 I HA 0.566 5.129 4.170 0.655 0.000 0.290 179 I C -2.297 174.203 176.117 0.637 0.000 1.129 179 I CA -0.997 60.538 61.300 0.392 0.000 1.042 179 I CB 1.831 39.906 38.000 0.125 0.000 1.242 179 I HN 0.778 nan 8.210 nan 0.000 0.421 180 F N 8.571 128.846 119.950 0.542 0.000 2.518 180 F HA 0.596 5.514 4.527 0.653 0.000 0.323 180 F C -1.974 174.165 175.800 0.565 0.000 1.129 180 F CA -0.699 57.586 58.000 0.475 0.000 0.920 180 F CB 1.520 40.707 39.000 0.313 0.000 1.160 180 F HN 0.362 nan 8.300 nan 0.000 0.440 181 F N 6.883 126.653 119.950 -0.300 0.000 2.529 181 F HA 0.588 5.508 4.527 0.655 0.000 0.320 181 F C -1.409 174.023 175.800 -0.613 0.000 1.118 181 F CA -0.699 57.185 58.000 -0.193 0.000 0.915 181 F CB 1.438 40.578 39.000 0.234 0.000 1.161 181 F HN 0.485 nan 8.300 nan 0.000 0.445 182 K N 4.562 124.220 120.400 -1.237 0.000 2.690 182 K HA 0.576 5.289 4.320 0.655 0.000 0.243 182 K C -1.035 174.868 176.600 -1.161 0.000 0.982 182 K CA -0.546 55.120 56.287 -1.036 0.000 0.955 182 K CB 1.190 33.411 32.500 -0.465 0.000 1.185 182 K HN 0.908 nan 8.250 nan 0.000 0.467 183 G N 1.774 109.737 108.800 -1.395 0.000 2.461 183 G HA2 0.378 4.731 3.960 0.655 0.000 0.323 183 G HA3 0.378 4.731 3.960 0.655 0.000 0.323 183 G C -0.725 173.923 174.900 -0.419 0.000 1.229 183 G CA -0.378 44.152 45.100 -0.950 0.000 0.941 183 G HN 0.397 nan 8.290 nan 0.000 0.477 184 T N 1.638 116.114 114.554 -0.130 0.000 2.845 184 T HA 0.237 4.980 4.350 0.655 0.000 0.288 184 T C -0.085 174.722 174.700 0.179 0.000 0.980 184 T CA -0.066 62.015 62.100 -0.031 0.000 1.071 184 T CB 0.748 69.622 68.868 0.009 0.000 0.941 184 T HN 0.452 nan 8.240 nan 0.000 0.487 185 W N 2.161 123.604 121.300 0.238 0.000 2.295 185 W HA 0.049 5.102 4.660 0.655 0.000 0.335 185 W C 1.684 178.243 176.519 0.067 0.000 1.351 185 W CA -0.555 56.867 57.345 0.129 0.000 1.273 185 W CB 0.002 29.518 29.460 0.092 0.000 1.214 185 W HN 0.720 nan 8.180 nan 0.000 0.563 186 T N 2.042 116.780 114.554 0.308 0.000 2.746 186 T HA -0.207 4.536 4.350 0.655 0.000 0.267 186 T C 0.532 175.290 174.700 0.097 0.000 1.039 186 T CA 1.248 63.446 62.100 0.163 0.000 1.142 186 T CB -0.094 68.844 68.868 0.118 0.000 0.866 186 T HN 0.406 nan 8.240 nan 0.000 0.444 187 Q N 1.540 121.369 119.800 0.048 0.000 2.456 187 Q HA 0.293 5.026 4.340 0.655 0.000 0.252 187 Q C -2.786 173.109 176.000 -0.175 0.000 1.042 187 Q CA -2.113 53.634 55.803 -0.093 0.000 0.766 187 Q CB 1.817 30.436 28.738 -0.200 0.000 1.196 187 Q HN 0.226 nan 8.270 nan 0.000 0.504 188 P HA 0.063 nan 4.420 nan 0.000 0.275 188 P C -0.747 176.466 177.300 -0.146 0.000 1.228 188 P CA -0.180 62.957 63.100 0.063 0.000 0.786 188 P CB 0.513 32.309 31.700 0.159 0.000 0.927 189 F N 0.390 120.302 119.950 -0.063 0.000 2.459 189 F HA 0.096 5.016 4.527 0.655 0.000 0.346 189 F C 1.377 177.154 175.800 -0.039 0.000 1.128 189 F CA 0.296 58.233 58.000 -0.106 0.000 1.268 189 F CB 0.124 39.051 39.000 -0.122 0.000 1.161 189 F HN 0.271 nan 8.300 nan 0.000 0.583 190 D N 2.336 122.802 120.400 0.111 0.000 2.339 190 D HA 0.133 5.166 4.640 0.655 0.000 0.256 190 D C 0.989 177.334 176.300 0.075 0.000 1.214 190 D CA 0.158 54.193 54.000 0.058 0.000 0.877 190 D CB 0.693 41.498 40.800 0.008 0.000 1.111 190 D HN 0.467 nan 8.370 nan 0.000 0.478 191 L N 3.443 124.707 121.223 0.069 0.000 2.079 191 L HA -0.200 4.533 4.340 0.655 0.000 0.210 191 L C 2.235 179.130 176.870 0.041 0.000 1.081 191 L CA 1.454 56.329 54.840 0.059 0.000 0.752 191 L CB -0.264 41.827 42.059 0.053 0.000 0.896 191 L HN 0.575 nan 8.230 nan 0.000 0.433 192 A N -1.584 121.255 122.820 0.032 0.000 2.066 192 A HA -0.117 4.596 4.320 0.655 0.000 0.218 192 A C 2.389 179.989 177.584 0.026 0.000 1.157 192 A CA 1.565 53.617 52.037 0.025 0.000 0.670 192 A CB -0.313 18.699 19.000 0.019 0.000 0.804 192 A HN 0.356 nan 8.150 nan 0.000 0.453 193 S N -0.062 115.654 115.700 0.027 0.000 2.489 193 S HA 0.001 4.864 4.470 0.655 0.000 0.228 193 S C 0.729 175.353 174.600 0.041 0.000 0.995 193 S CA 0.445 58.661 58.200 0.026 0.000 0.934 193 S CB -0.227 62.975 63.200 0.002 0.000 0.771 193 S HN 0.592 nan 8.310 nan 0.000 0.522 194 T N 4.112 118.689 114.554 0.037 0.000 2.817 194 T HA 0.223 4.966 4.350 0.655 0.000 0.295 194 T C 0.212 174.936 174.700 0.040 0.000 0.958 194 T CA 0.199 62.320 62.100 0.035 0.000 1.157 194 T CB 0.251 69.130 68.868 0.020 0.000 0.898 194 T HN 0.073 nan 8.240 nan 0.000 0.536 195 R N 2.296 122.828 120.500 0.053 0.000 2.744 195 R HA 0.314 5.047 4.340 0.655 0.000 0.279 195 R C -0.345 175.978 176.300 0.039 0.000 0.977 195 R CA -0.922 55.206 56.100 0.046 0.000 0.906 195 R CB 1.357 31.692 30.300 0.059 0.000 1.197 195 R HN 0.582 nan 8.270 nan 0.000 0.463 196 E N 2.403 122.618 120.200 0.026 0.000 2.351 196 E HA 0.088 4.831 4.350 0.655 0.000 0.266 196 E C -0.422 176.188 176.600 0.017 0.000 1.031 196 E CA 0.534 56.945 56.400 0.019 0.000 0.911 196 E CB 0.861 30.567 29.700 0.010 0.000 0.986 196 E HN 0.367 nan 8.360 nan 0.000 0.446 197 E N 1.883 122.094 120.200 0.018 0.000 2.416 197 E HA 0.256 4.999 4.350 0.655 0.000 0.273 197 E C -0.875 175.711 176.600 -0.023 0.000 0.935 197 E CA -0.977 55.424 56.400 0.001 0.000 0.784 197 E CB 1.356 31.062 29.700 0.010 0.000 1.301 197 E HN 0.225 nan 8.360 nan 0.000 0.454 198 N N 1.067 119.707 118.700 -0.100 0.000 2.483 198 N HA 0.122 5.255 4.740 0.655 0.000 0.264 198 N C -1.335 174.002 175.510 -0.288 0.000 1.197 198 N CA 0.370 53.261 53.050 -0.265 0.000 0.927 198 N CB 0.121 38.315 38.487 -0.488 0.000 1.065 198 N HN 0.292 nan 8.380 nan 0.000 0.461 199 F N 3.065 122.801 119.950 -0.357 0.000 2.427 199 F HA 0.320 5.240 4.527 0.655 0.000 0.348 199 F C -0.845 174.792 175.800 -0.271 0.000 1.125 199 F CA -0.923 56.949 58.000 -0.214 0.000 0.989 199 F CB 0.520 39.501 39.000 -0.031 0.000 1.165 199 F HN 0.394 nan 8.300 nan 0.000 0.442 200 Y N 6.315 126.501 120.300 -0.189 0.000 2.650 200 Y HA 0.229 5.171 4.550 0.655 0.000 0.343 200 Y C 0.993 176.885 175.900 -0.015 0.000 1.078 200 Y CA -0.521 57.538 58.100 -0.069 0.000 1.356 200 Y CB 0.398 38.791 38.460 -0.111 0.000 1.204 200 Y HN 0.442 nan 8.280 nan 0.000 0.508 201 V N 0.771 120.861 119.914 0.294 0.000 2.270 201 V HA -0.157 4.356 4.120 0.655 0.000 0.245 201 V C 0.831 177.045 176.094 0.199 0.000 1.043 201 V CA 1.705 64.196 62.300 0.319 0.000 1.014 201 V CB -0.142 31.842 31.823 0.268 0.000 0.645 201 V HN 0.660 nan 8.190 nan 0.000 0.447 202 D N -1.490 119.009 120.400 0.165 0.000 2.610 202 D HA 0.197 5.230 4.640 0.655 0.000 0.271 202 D C -0.039 176.326 176.300 0.108 0.000 1.174 202 D CA -0.400 53.669 54.000 0.115 0.000 0.949 202 D CB 1.809 42.666 40.800 0.095 0.000 1.430 202 D HN 0.407 nan 8.370 nan 0.000 0.467 203 E N -0.952 119.289 120.200 0.069 0.000 2.320 203 E HA 0.099 4.842 4.350 0.655 0.000 0.189 203 E C 0.540 177.173 176.600 0.055 0.000 1.100 203 E CA 0.175 56.606 56.400 0.051 0.000 1.009 203 E CB -0.257 29.454 29.700 0.018 0.000 1.145 203 E HN 0.364 nan 8.360 nan 0.000 0.454 204 T N -3.867 110.730 114.554 0.070 0.000 3.029 204 T HA 0.085 4.828 4.350 0.655 0.000 0.256 204 T C 0.593 175.337 174.700 0.073 0.000 0.914 204 T CA -0.059 62.077 62.100 0.061 0.000 0.880 204 T CB 0.532 69.430 68.868 0.049 0.000 1.246 204 T HN 0.021 nan 8.240 nan 0.000 0.523 205 T N 2.225 116.835 114.554 0.094 0.000 2.824 205 T HA 0.728 5.471 4.350 0.655 0.000 0.282 205 T C -1.108 173.664 174.700 0.121 0.000 0.993 205 T CA -0.543 61.614 62.100 0.095 0.000 0.967 205 T CB 2.286 71.208 68.868 0.090 0.000 0.960 205 T HN 0.152 nan 8.240 nan 0.000 0.441 206 V N 3.641 123.605 119.914 0.085 0.000 2.483 206 V HA 0.683 5.196 4.120 0.655 0.000 0.297 206 V C -0.028 176.072 176.094 0.009 0.000 1.027 206 V CA -0.934 61.384 62.300 0.030 0.000 0.855 206 V CB 1.584 33.411 31.823 0.007 0.000 0.995 206 V HN 0.860 nan 8.190 nan 0.000 0.424 207 V N 1.649 121.573 119.914 0.018 0.000 2.919 207 V HA 0.742 5.255 4.120 0.655 0.000 0.316 207 V C -0.448 175.647 176.094 0.001 0.000 1.077 207 V CA -1.015 61.296 62.300 0.019 0.000 0.977 207 V CB 2.164 34.006 31.823 0.032 0.000 1.039 207 V HN 0.663 nan 8.190 nan 0.000 0.441 208 K N 1.920 122.316 120.400 -0.006 0.000 2.227 208 K HA 0.725 5.438 4.320 0.655 0.000 0.280 208 K C -0.985 175.614 176.600 -0.002 0.000 1.041 208 K CA -0.309 55.974 56.287 -0.007 0.000 0.905 208 K CB 1.781 34.275 32.500 -0.009 0.000 1.068 208 K HN 0.698 nan 8.250 nan 0.000 0.470 209 V N 4.758 124.680 119.914 0.013 0.000 2.841 209 V HA 0.371 4.884 4.120 0.655 0.000 0.310 209 V C -2.619 173.485 176.094 0.016 0.000 1.090 209 V CA -2.630 59.673 62.300 0.004 0.000 0.930 209 V CB 2.571 34.392 31.823 -0.003 0.000 1.014 209 V HN 0.486 nan 8.190 nan 0.000 0.425 210 P HA 0.236 nan 4.420 nan 0.000 0.266 210 P C -0.895 176.410 177.300 0.008 0.000 1.215 210 P CA 0.056 63.159 63.100 0.005 0.000 0.763 210 P CB 0.297 31.992 31.700 -0.008 0.000 0.806 211 M N 5.569 125.186 119.600 0.029 0.000 2.072 211 M HA 0.341 5.214 4.480 0.655 0.000 0.331 211 M C -0.638 175.676 176.300 0.022 0.000 1.004 211 M CA -0.406 54.923 55.300 0.048 0.000 0.952 211 M CB 0.325 32.995 32.600 0.118 0.000 1.511 211 M HN 0.218 nan 8.290 nan 0.000 0.422 212 M N 4.220 123.760 119.600 -0.101 0.000 2.228 212 M HA 0.485 5.358 4.480 0.655 0.000 0.326 212 M C -0.892 175.367 176.300 -0.067 0.000 1.122 212 M CA -0.522 54.681 55.300 -0.162 0.000 1.161 212 M CB 0.742 33.025 32.600 -0.529 0.000 1.437 212 M HN 0.695 nan 8.290 nan 0.000 0.465 213 L N 2.304 123.557 121.223 0.050 0.000 2.482 213 L HA 0.472 5.205 4.340 0.655 0.000 0.263 213 L C -1.627 175.252 176.870 0.015 0.000 0.957 213 L CA -0.096 54.703 54.840 -0.069 0.000 0.836 213 L CB 2.345 44.210 42.059 -0.324 0.000 1.324 213 L HN 0.838 nan 8.230 nan 0.000 0.406 214 Q N 2.190 121.905 119.800 -0.141 0.000 2.345 214 Q HA 0.623 5.356 4.340 0.655 0.000 0.275 214 Q C -1.530 174.315 176.000 -0.258 0.000 1.063 214 Q CA -0.759 54.898 55.803 -0.243 0.000 0.819 214 Q CB 1.945 30.422 28.738 -0.436 0.000 1.356 214 Q HN 0.566 nan 8.270 nan 0.000 0.418 215 S N 1.637 117.220 115.700 -0.196 0.000 2.488 215 S HA 0.586 5.448 4.470 0.655 0.000 0.310 215 S C -1.168 173.347 174.600 -0.143 0.000 1.093 215 S CA -0.077 58.028 58.200 -0.160 0.000 1.129 215 S CB 0.156 63.286 63.200 -0.116 0.000 0.989 215 S HN 0.596 nan 8.310 nan 0.000 0.479 216 S N 2.039 117.646 115.700 -0.155 0.000 2.685 216 S HA 0.483 5.346 4.470 0.655 0.000 0.282 216 S C -0.788 173.747 174.600 -0.108 0.000 1.159 216 S CA -0.846 57.273 58.200 -0.136 0.000 0.833 216 S CB 1.624 64.716 63.200 -0.180 0.000 1.151 216 S HN 0.532 nan 8.310 nan 0.000 0.485 217 T N 2.026 116.530 114.554 -0.083 0.000 2.738 217 T HA 0.477 5.220 4.350 0.655 0.000 0.294 217 T C -0.351 174.317 174.700 -0.054 0.000 0.914 217 T CA 0.245 62.311 62.100 -0.056 0.000 1.052 217 T CB -0.838 68.008 68.868 -0.037 0.000 0.897 217 T HN 0.303 nan 8.240 nan 0.000 0.522 218 I N 1.798 122.345 120.570 -0.038 0.000 2.569 218 I HA 0.258 4.821 4.170 0.655 0.000 0.296 218 I C 0.350 176.497 176.117 0.051 0.000 1.028 218 I CA -0.906 60.382 61.300 -0.019 0.000 1.082 218 I CB 2.109 40.083 38.000 -0.044 0.000 1.264 218 I HN 0.387 nan 8.210 nan 0.000 0.429 219 S N 4.941 120.672 115.700 0.052 0.000 2.506 219 S HA 0.095 4.958 4.470 0.655 0.000 0.291 219 S C -0.798 173.891 174.600 0.148 0.000 1.230 219 S CA 0.114 58.366 58.200 0.087 0.000 1.107 219 S CB -0.484 62.749 63.200 0.054 0.000 0.942 219 S HN 0.413 nan 8.310 nan 0.000 0.502 220 Y N 3.685 124.003 120.300 0.030 0.000 2.485 220 Y HA 0.697 5.640 4.550 0.655 0.000 0.345 220 Y C -1.118 174.809 175.900 0.045 0.000 0.998 220 Y CA -1.417 56.704 58.100 0.035 0.000 1.059 220 Y CB 1.078 39.554 38.460 0.027 0.000 1.234 220 Y HN 0.497 nan 8.280 nan 0.000 0.461 221 L N 6.054 126.820 121.223 -0.760 0.000 2.470 221 L HA 0.371 5.104 4.340 0.655 0.000 0.268 221 L C -2.015 174.404 176.870 -0.751 0.000 0.964 221 L CA -0.466 54.036 54.840 -0.563 0.000 0.839 221 L CB 1.541 43.463 42.059 -0.228 0.000 1.276 221 L HN 0.805 nan 8.230 nan 0.000 0.403 222 H N 3.985 122.753 119.070 -0.504 0.000 2.690 222 H HA 0.311 5.260 4.556 0.655 0.000 0.289 222 H C -1.112 174.154 175.328 -0.104 0.000 1.089 222 H CA -0.298 55.605 56.048 -0.241 0.000 1.299 222 H CB 0.787 30.536 29.762 -0.022 0.000 1.405 222 H HN 0.652 nan 8.280 nan 0.000 0.463 223 D N 2.337 122.755 120.400 0.031 0.000 2.390 223 D HA -0.042 4.991 4.640 0.655 0.000 0.249 223 D C 0.948 177.378 176.300 0.216 0.000 1.144 223 D CA 0.230 54.310 54.000 0.132 0.000 0.880 223 D CB 1.122 42.005 40.800 0.138 0.000 1.182 223 D HN 0.651 nan 8.370 nan 0.000 0.451 224 S N 1.949 117.748 115.700 0.165 0.000 2.497 224 S HA -0.033 4.830 4.470 0.655 0.000 0.221 224 S C 1.045 175.697 174.600 0.087 0.000 1.037 224 S CA -0.128 58.147 58.200 0.124 0.000 0.920 224 S CB -0.100 63.144 63.200 0.073 0.000 0.800 224 S HN 0.636 nan 8.310 nan 0.000 0.505 225 E N 0.805 121.055 120.200 0.082 0.000 2.481 225 E HA 0.415 5.158 4.350 0.655 0.000 0.198 225 E C -0.128 176.507 176.600 0.059 0.000 1.027 225 E CA -0.204 56.228 56.400 0.053 0.000 0.900 225 E CB 0.079 29.796 29.700 0.028 0.000 0.993 225 E HN 0.412 nan 8.360 nan 0.000 0.482 226 L N 1.169 122.450 121.223 0.095 0.000 2.445 226 L HA 0.384 5.117 4.340 0.655 0.000 0.262 226 L C -2.643 174.277 176.870 0.084 0.000 0.974 226 L CA -2.672 52.227 54.840 0.099 0.000 0.822 226 L CB 2.824 44.983 42.059 0.168 0.000 1.339 226 L HN -0.197 nan 8.230 nan 0.000 0.409 227 P HA 0.138 nan 4.420 nan 0.000 0.231 227 P C -0.992 176.310 177.300 0.003 0.000 1.811 227 P CA -0.254 62.864 63.100 0.031 0.000 1.051 227 P CB -0.307 31.410 31.700 0.028 0.000 1.951 228 C N -0.431 118.846 119.300 -0.038 0.000 3.311 228 C HA 0.653 5.506 4.460 0.655 0.000 0.325 228 C C -1.289 173.551 174.990 -0.251 0.000 1.352 228 C CA -0.811 58.148 59.018 -0.099 0.000 1.308 228 C CB 1.571 29.298 27.740 -0.022 0.000 1.619 228 C HN 0.287 nan 8.230 nan 0.000 0.469 229 Q N 0.931 120.562 119.800 -0.281 0.000 2.375 229 Q HA 0.861 5.594 4.340 0.655 0.000 0.271 229 Q C -1.122 174.719 176.000 -0.264 0.000 1.074 229 Q CA -0.612 54.975 55.803 -0.360 0.000 0.808 229 Q CB 2.595 31.147 28.738 -0.310 0.000 1.327 229 Q HN 0.827 nan 8.270 nan 0.000 0.441 230 L N -1.318 119.701 121.223 -0.340 0.000 2.424 230 L HA 0.933 5.666 4.340 0.655 0.000 0.258 230 L C -0.836 175.993 176.870 -0.067 0.000 0.995 230 L CA -1.137 53.594 54.840 -0.182 0.000 0.821 230 L CB 1.620 43.399 42.059 -0.467 0.000 1.383 230 L HN 0.419 nan 8.230 nan 0.000 0.410 231 V N -0.909 119.099 119.914 0.158 0.000 3.001 231 V HA 0.700 5.212 4.120 0.655 0.000 0.314 231 V C -0.945 175.229 176.094 0.132 0.000 1.099 231 V CA -0.507 61.898 62.300 0.175 0.000 0.989 231 V CB 1.719 33.690 31.823 0.247 0.000 1.040 231 V HN 1.068 nan 8.190 nan 0.000 0.434 232 Q N 2.094 121.904 119.800 0.017 0.000 2.321 232 Q HA 0.708 5.441 4.340 0.655 0.000 0.270 232 Q C -1.575 174.358 176.000 -0.111 0.000 1.032 232 Q CA -0.701 54.983 55.803 -0.199 0.000 0.784 232 Q CB 2.193 30.682 28.738 -0.415 0.000 1.264 232 Q HN 0.918 nan 8.270 nan 0.000 0.448 233 M N 2.291 121.829 119.600 -0.105 0.000 2.602 233 M HA 0.501 5.374 4.480 0.655 0.000 0.312 233 M C -0.920 175.355 176.300 -0.042 0.000 1.181 233 M CA -1.104 54.158 55.300 -0.064 0.000 0.910 233 M CB 2.003 34.547 32.600 -0.095 0.000 1.723 233 M HN 0.514 nan 8.290 nan 0.000 0.459 234 N N 0.519 119.227 118.700 0.013 0.000 2.466 234 N HA 0.525 5.658 4.740 0.655 0.000 0.294 234 N C -1.573 173.985 175.510 0.081 0.000 1.129 234 N CA -0.262 52.837 53.050 0.082 0.000 0.931 234 N CB 1.003 39.566 38.487 0.127 0.000 1.193 234 N HN 0.422 nan 8.380 nan 0.000 0.500 235 Y N -0.710 119.786 120.300 0.327 0.000 2.432 235 Y HA 0.351 5.294 4.550 0.655 0.000 0.322 235 Y C 0.516 176.531 175.900 0.192 0.000 1.246 235 Y CA -1.077 57.182 58.100 0.266 0.000 1.268 235 Y CB 0.944 39.574 38.460 0.282 0.000 1.276 235 Y HN 0.071 nan 8.280 nan 0.000 0.499 236 V N 2.646 122.746 119.914 0.309 0.000 2.421 236 V HA 0.430 4.943 4.120 0.655 0.000 0.271 236 V C 0.589 176.787 176.094 0.174 0.000 1.031 236 V CA 1.214 63.626 62.300 0.187 0.000 1.032 236 V CB -0.443 31.451 31.823 0.118 0.000 1.009 236 V HN 1.074 nan 8.190 nan 0.000 0.477 237 G N 4.751 113.656 108.800 0.174 0.000 2.130 237 G HA2 -0.142 4.211 3.960 0.655 0.000 0.151 237 G HA3 -0.142 4.211 3.960 0.655 0.000 0.151 237 G C 0.270 175.308 174.900 0.231 0.000 1.173 237 G CA 0.136 45.337 45.100 0.168 0.000 1.278 237 G HN 0.443 nan 8.290 nan 0.000 0.479 238 N N 1.035 119.914 118.700 0.300 0.000 2.159 238 N HA 0.218 5.351 4.740 0.655 0.000 0.217 238 N C 0.950 176.765 175.510 0.508 0.000 1.223 238 N CA 0.530 53.816 53.050 0.393 0.000 0.896 238 N CB 1.479 40.211 38.487 0.408 0.000 1.064 238 N HN 0.732 nan 8.380 nan 0.000 0.518 239 G N 0.492 109.605 108.800 0.522 0.000 2.406 239 G HA2 0.279 4.632 3.960 0.655 0.000 0.251 239 G HA3 0.279 4.632 3.960 0.655 0.000 0.251 239 G C -0.352 174.961 174.900 0.689 0.000 1.271 239 G CA 0.474 45.944 45.100 0.617 0.000 0.859 239 G HN -0.076 nan 8.290 nan 0.000 0.540 240 T N -0.327 114.528 114.554 0.501 0.000 2.896 240 T HA 0.569 5.312 4.350 0.655 0.000 0.297 240 T C -1.145 173.687 174.700 0.220 0.000 1.108 240 T CA -0.527 61.737 62.100 0.274 0.000 1.004 240 T CB 1.886 70.812 68.868 0.096 0.000 1.159 240 T HN 0.802 nan 8.240 nan 0.000 0.499 241 V N 4.344 124.254 119.914 -0.006 0.000 2.760 241 V HA 0.738 5.251 4.120 0.655 0.000 0.309 241 V C -1.776 174.147 176.094 -0.285 0.000 1.077 241 V CA -0.816 61.461 62.300 -0.039 0.000 0.910 241 V CB 1.459 33.282 31.823 0.000 0.000 1.008 241 V HN 0.876 nan 8.190 nan 0.000 0.424 242 F N 6.481 126.404 119.950 -0.044 0.000 2.411 242 F HA 0.610 5.530 4.527 0.655 0.000 0.352 242 F C -0.289 175.399 175.800 -0.186 0.000 1.123 242 F CA -0.438 57.550 58.000 -0.020 0.000 1.044 242 F CB 1.473 40.557 39.000 0.141 0.000 1.135 242 F HN 0.359 nan 8.300 nan 0.000 0.461 243 F N 4.893 124.985 119.950 0.238 0.000 2.385 243 F HA 0.473 5.394 4.527 0.656 0.000 0.360 243 F C -0.191 175.793 175.800 0.307 0.000 1.122 243 F CA -0.851 57.256 58.000 0.179 0.000 1.090 243 F CB 0.879 39.746 39.000 -0.221 0.000 1.150 243 F HN 0.110 nan 8.300 nan 0.000 0.472 244 I N 5.337 126.221 120.570 0.524 0.000 2.362 244 I HA 0.305 4.868 4.170 0.655 0.000 0.289 244 I C -0.780 175.637 176.117 0.499 0.000 0.994 244 I CA -0.908 60.592 61.300 0.333 0.000 1.158 244 I CB 1.507 39.574 38.000 0.111 0.000 1.315 244 I HN 0.411 nan 8.210 nan 0.000 0.451 245 L N 9.585 130.970 121.223 0.270 0.000 2.277 245 L HA 0.592 5.325 4.340 0.655 0.000 0.284 245 L C -2.485 174.392 176.870 0.010 0.000 1.028 245 L CA -1.463 53.431 54.840 0.089 0.000 0.835 245 L CB 1.287 43.095 42.059 -0.419 0.000 1.215 245 L HN 0.275 nan 8.230 nan 0.000 0.425 246 P HA 0.159 nan 4.420 nan 0.000 0.274 246 P C -1.092 176.205 177.300 -0.006 0.000 1.231 246 P CA -0.347 62.779 63.100 0.043 0.000 0.790 246 P CB 0.483 32.238 31.700 0.091 0.000 0.951 247 D N 1.000 121.386 120.400 -0.022 0.000 2.449 247 D HA -0.021 5.012 4.640 0.655 0.000 0.236 247 D C 0.556 176.846 176.300 -0.017 0.000 1.149 247 D CA 0.289 54.269 54.000 -0.033 0.000 0.878 247 D CB 0.309 41.095 40.800 -0.023 0.000 1.198 247 D HN 0.250 nan 8.370 nan 0.000 0.446 248 K N 0.759 121.139 120.400 -0.033 0.000 2.440 248 K HA 0.071 4.784 4.320 0.655 0.000 0.275 248 K C 0.933 177.527 176.600 -0.011 0.000 1.082 248 K CA 0.848 57.117 56.287 -0.029 0.000 1.135 248 K CB -0.240 32.224 32.500 -0.059 0.000 0.864 248 K HN 0.679 nan 8.250 nan 0.000 0.479 249 G N 3.779 112.583 108.800 0.008 0.000 2.157 249 G HA2 -0.210 4.143 3.960 0.655 0.000 0.248 249 G HA3 -0.210 4.143 3.960 0.655 0.000 0.248 249 G C 0.357 175.269 174.900 0.021 0.000 0.979 249 G CA 0.010 45.119 45.100 0.015 0.000 0.650 249 G HN 0.611 nan 8.290 nan 0.000 0.529 250 K N -0.370 120.046 120.400 0.026 0.000 2.576 250 K HA 0.375 5.088 4.320 0.655 0.000 0.209 250 K C 1.854 178.485 176.600 0.051 0.000 1.049 250 K CA 0.086 56.392 56.287 0.031 0.000 1.140 250 K CB 0.292 32.808 32.500 0.025 0.000 0.871 250 K HN 0.446 nan 8.250 nan 0.000 0.479 251 M N 1.349 120.986 119.600 0.062 0.000 2.086 251 M HA -0.118 4.755 4.480 0.655 0.000 0.261 251 M C 1.137 177.481 176.300 0.073 0.000 1.067 251 M CA 1.870 57.222 55.300 0.086 0.000 1.116 251 M CB -0.257 32.400 32.600 0.094 0.000 1.348 251 M HN 0.039 nan 8.290 nan 0.000 0.407 252 N N -0.591 118.135 118.700 0.044 0.000 2.166 252 N HA -0.106 5.027 4.740 0.655 0.000 0.186 252 N C 1.572 177.094 175.510 0.020 0.000 1.019 252 N CA 2.000 55.063 53.050 0.022 0.000 0.856 252 N CB -0.727 37.763 38.487 0.005 0.000 0.993 252 N HN 0.492 nan 8.380 nan 0.000 0.426 253 T N 0.649 115.219 114.554 0.026 0.000 2.867 253 T HA -0.023 4.720 4.350 0.655 0.000 0.268 253 T C 2.150 176.871 174.700 0.034 0.000 1.057 253 T CA 0.706 62.819 62.100 0.021 0.000 1.136 253 T CB -0.106 68.776 68.868 0.023 0.000 0.874 253 T HN 0.004 nan 8.240 nan 0.000 0.466 254 V N 0.925 120.880 119.914 0.068 0.000 2.535 254 V HA 0.028 4.541 4.120 0.655 0.000 0.246 254 V C 2.336 178.488 176.094 0.097 0.000 1.045 254 V CA 0.946 63.312 62.300 0.111 0.000 1.058 254 V CB -0.475 31.446 31.823 0.164 0.000 0.689 254 V HN 0.457 nan 8.190 nan 0.000 0.461 255 I N 0.891 121.520 120.570 0.099 0.000 2.252 255 I HA -0.192 4.371 4.170 0.655 0.000 0.245 255 I C 2.656 178.783 176.117 0.015 0.000 1.102 255 I CA 1.449 62.816 61.300 0.112 0.000 1.385 255 I CB -0.550 37.529 38.000 0.132 0.000 1.064 255 I HN 0.280 nan 8.210 nan 0.000 0.414 256 A N 0.635 123.445 122.820 -0.015 0.000 2.076 256 A HA -0.087 4.626 4.320 0.655 0.000 0.220 256 A C 2.303 179.833 177.584 -0.091 0.000 1.160 256 A CA 1.755 53.760 52.037 -0.053 0.000 0.653 256 A CB -0.553 18.419 19.000 -0.047 0.000 0.801 256 A HN 0.455 nan 8.150 nan 0.000 0.455 257 A N -0.870 121.887 122.820 -0.105 0.000 2.275 257 A HA 0.456 5.169 4.320 0.655 0.000 0.212 257 A C 0.731 178.126 177.584 -0.314 0.000 1.201 257 A CA -0.355 51.580 52.037 -0.169 0.000 0.843 257 A CB -0.283 18.640 19.000 -0.130 0.000 0.873 257 A HN 0.400 nan 8.150 nan 0.000 0.492 258 L N 2.053 123.052 121.223 -0.374 0.000 2.477 258 L HA 0.279 5.011 4.340 0.655 0.000 0.272 258 L C 0.512 176.857 176.870 -0.875 0.000 1.157 258 L CA 0.188 54.569 54.840 -0.765 0.000 0.889 258 L CB 0.310 41.843 42.059 -0.877 0.000 1.158 258 L HN 0.486 nan 8.230 nan 0.000 0.473 259 S N 2.002 117.181 115.700 -0.869 0.000 2.611 259 S HA 0.383 5.246 4.470 0.655 0.000 0.268 259 S C 0.372 174.876 174.600 -0.160 0.000 1.156 259 S CA -1.114 56.874 58.200 -0.353 0.000 0.817 259 S CB 1.501 64.564 63.200 -0.228 0.000 1.122 259 S HN 0.566 nan 8.310 nan 0.000 0.466 260 R N 0.426 120.942 120.500 0.028 0.000 2.127 260 R HA -0.096 4.637 4.340 0.655 0.000 0.238 260 R C 1.499 177.687 176.300 -0.186 0.000 1.134 260 R CA 1.736 57.803 56.100 -0.055 0.000 0.975 260 R CB -0.451 29.819 30.300 -0.050 0.000 0.865 260 R HN 0.737 nan 8.270 nan 0.000 0.447 261 D N -0.277 120.007 120.400 -0.194 0.000 2.144 261 D HA -0.097 4.936 4.640 0.655 0.000 0.200 261 D C 1.241 177.346 176.300 -0.326 0.000 0.978 261 D CA 1.289 55.158 54.000 -0.219 0.000 0.833 261 D CB 0.265 40.958 40.800 -0.178 0.000 0.961 261 D HN 0.148 nan 8.370 nan 0.000 0.470 262 T N 1.138 115.413 114.554 -0.465 0.000 2.857 262 T HA -0.049 4.694 4.350 0.655 0.000 0.266 262 T C 2.046 176.188 174.700 -0.930 0.000 1.048 262 T CA 0.195 61.828 62.100 -0.779 0.000 1.139 262 T CB 0.240 68.525 68.868 -0.971 0.000 0.874 262 T HN 0.118 nan 8.240 nan 0.000 0.455 263 I N 2.529 122.707 120.570 -0.652 0.000 2.127 263 I HA -0.151 4.412 4.170 0.655 0.000 0.241 263 I C 2.274 178.205 176.117 -0.310 0.000 1.075 263 I CA 1.252 62.270 61.300 -0.471 0.000 1.334 263 I CB -1.317 36.439 38.000 -0.407 0.000 1.040 263 I HN 0.236 nan 8.210 nan 0.000 0.405 264 N N 0.749 119.273 118.700 -0.293 0.000 2.149 264 N HA -0.197 4.936 4.740 0.655 0.000 0.188 264 N C 2.007 177.442 175.510 -0.126 0.000 1.019 264 N CA 1.033 53.962 53.050 -0.201 0.000 0.857 264 N CB -0.323 38.045 38.487 -0.198 0.000 0.997 264 N HN 0.375 nan 8.380 nan 0.000 0.426 265 R N -0.438 119.953 120.500 -0.181 0.000 2.092 265 R HA -0.101 4.631 4.340 0.655 0.000 0.231 265 R C 1.819 178.144 176.300 0.042 0.000 1.119 265 R CA 0.941 56.974 56.100 -0.113 0.000 0.970 265 R CB -0.069 30.110 30.300 -0.201 0.000 0.864 265 R HN 0.260 nan 8.270 nan 0.000 0.440 266 W N 0.428 121.676 121.300 -0.087 0.000 2.379 266 W HA -0.007 5.046 4.660 0.655 0.000 0.307 266 W C 2.373 178.903 176.519 0.019 0.000 1.200 266 W CA 0.770 58.087 57.345 -0.046 0.000 1.297 266 W CB -1.141 28.262 29.460 -0.093 0.000 1.140 266 W HN 0.078 nan 8.180 nan 0.000 0.507 267 S N 0.774 116.619 115.700 0.242 0.000 2.365 267 S HA -0.194 4.669 4.470 0.655 0.000 0.225 267 S C 2.024 176.702 174.600 0.129 0.000 1.039 267 S CA 1.923 60.238 58.200 0.192 0.000 1.033 267 S CB -0.933 62.325 63.200 0.097 0.000 0.887 267 S HN 0.223 nan 8.310 nan 0.000 0.447 268 A N 1.057 123.928 122.820 0.084 0.000 2.066 268 A HA 0.211 4.924 4.320 0.655 0.000 0.218 268 A C 2.194 179.824 177.584 0.077 0.000 1.157 268 A CA 1.406 53.481 52.037 0.063 0.000 0.670 268 A CB -0.909 18.110 19.000 0.031 0.000 0.804 268 A HN 0.531 nan 8.150 nan 0.000 0.453 269 G N -0.787 108.077 108.800 0.106 0.000 2.539 269 G HA2 0.262 4.615 3.960 0.655 0.000 0.215 269 G HA3 0.262 4.615 3.960 0.655 0.000 0.215 269 G C 0.594 175.547 174.900 0.089 0.000 1.141 269 G CA -0.251 44.909 45.100 0.100 0.000 0.806 269 G HN 0.383 nan 8.290 nan 0.000 0.533 270 L N 1.614 122.902 121.223 0.108 0.000 2.513 270 L HA 0.344 5.077 4.340 0.655 0.000 0.272 270 L C 0.409 177.333 176.870 0.090 0.000 1.187 270 L CA 0.132 55.029 54.840 0.094 0.000 0.895 270 L CB 1.101 43.238 42.059 0.130 0.000 1.147 270 L HN 0.012 nan 8.230 nan 0.000 0.483 271 T N 1.872 116.484 114.554 0.097 0.000 2.916 271 T HA 0.298 5.041 4.350 0.655 0.000 0.298 271 T C -0.306 174.458 174.700 0.106 0.000 1.031 271 T CA -0.590 61.567 62.100 0.094 0.000 0.993 271 T CB 1.301 70.223 68.868 0.090 0.000 1.045 271 T HN 0.480 nan 8.240 nan 0.000 0.454 272 S N 3.412 119.157 115.700 0.074 0.000 2.509 272 S HA 0.391 5.254 4.470 0.655 0.000 0.287 272 S C -0.217 174.415 174.600 0.053 0.000 1.248 272 S CA -0.214 58.020 58.200 0.057 0.000 1.089 272 S CB -0.029 63.191 63.200 0.033 0.000 0.900 272 S HN 0.699 nan 8.310 nan 0.000 0.496 273 S N 2.877 118.607 115.700 0.049 0.000 2.549 273 S HA 0.333 5.196 4.470 0.655 0.000 0.280 273 S C -0.856 173.718 174.600 -0.044 0.000 1.109 273 S CA -1.013 57.193 58.200 0.009 0.000 0.905 273 S CB 1.354 64.566 63.200 0.019 0.000 1.081 273 S HN 0.566 nan 8.310 nan 0.000 0.477 274 Q N 1.879 121.639 119.800 -0.065 0.000 2.281 274 Q HA 0.340 5.073 4.340 0.655 0.000 0.267 274 Q C -0.822 175.103 176.000 -0.125 0.000 1.053 274 Q CA 0.201 55.954 55.803 -0.082 0.000 0.905 274 Q CB 0.758 29.457 28.738 -0.066 0.000 1.195 274 Q HN 0.472 nan 8.270 nan 0.000 0.398 275 V N 3.002 122.839 119.914 -0.128 0.000 2.638 275 V HA 0.190 4.703 4.120 0.655 0.000 0.306 275 V C -0.456 175.561 176.094 -0.128 0.000 1.052 275 V CA -0.983 61.227 62.300 -0.150 0.000 0.885 275 V CB 2.378 34.113 31.823 -0.148 0.000 0.999 275 V HN 0.568 nan 8.190 nan 0.000 0.424 276 D N 4.023 124.362 120.400 -0.101 0.000 2.422 276 D HA 0.252 5.285 4.640 0.655 0.000 0.227 276 D C -0.338 175.880 176.300 -0.135 0.000 1.190 276 D CA -0.103 53.818 54.000 -0.132 0.000 0.905 276 D CB 1.578 42.373 40.800 -0.008 0.000 1.034 276 D HN 0.288 nan 8.370 nan 0.000 0.507 277 L N 4.174 125.278 121.223 -0.199 0.000 2.268 277 L HA 0.187 4.920 4.340 0.655 0.000 0.289 277 L C -1.229 175.591 176.870 -0.084 0.000 1.064 277 L CA -0.451 54.354 54.840 -0.058 0.000 0.824 277 L CB -0.043 41.974 42.059 -0.069 0.000 1.202 277 L HN 0.153 nan 8.230 nan 0.000 0.433 278 Y N 6.268 126.632 120.300 0.106 0.000 2.454 278 Y HA 0.504 5.447 4.550 0.655 0.000 0.345 278 Y C 0.057 175.989 175.900 0.054 0.000 0.970 278 Y CA -0.313 57.829 58.100 0.070 0.000 1.204 278 Y CB 0.548 39.030 38.460 0.038 0.000 1.122 278 Y HN 0.407 nan 8.280 nan 0.000 0.514 279 I N 6.610 127.143 120.570 -0.062 0.000 2.465 279 I HA 0.368 4.930 4.170 0.655 0.000 0.291 279 I C -2.387 173.549 176.117 -0.301 0.000 1.014 279 I CA -2.530 58.556 61.300 -0.358 0.000 1.093 279 I CB 2.546 40.060 38.000 -0.810 0.000 1.267 279 I HN 0.310 nan 8.210 nan 0.000 0.431 280 P HA 0.152 nan 4.420 nan 0.000 0.276 280 P C -1.155 176.095 177.300 -0.082 0.000 1.244 280 P CA -0.597 62.487 63.100 -0.028 0.000 0.801 280 P CB 0.713 32.493 31.700 0.135 0.000 1.006 281 K N 0.737 121.095 120.400 -0.070 0.000 2.379 281 K HA 0.295 5.008 4.320 0.655 0.000 0.284 281 K C -0.356 176.228 176.600 -0.026 0.000 1.044 281 K CA -0.285 55.971 56.287 -0.051 0.000 0.974 281 K CB 0.229 32.703 32.500 -0.043 0.000 0.962 281 K HN 0.220 nan 8.250 nan 0.000 0.474 282 V N 2.916 122.828 119.914 -0.004 0.000 2.459 282 V HA 0.287 4.799 4.120 0.655 0.000 0.295 282 V C -0.288 175.769 176.094 -0.061 0.000 1.029 282 V CA -0.652 61.637 62.300 -0.018 0.000 0.874 282 V CB 1.966 33.818 31.823 0.048 0.000 0.985 282 V HN 0.778 nan 8.190 nan 0.000 0.438 283 T N 6.132 120.634 114.554 -0.087 0.000 3.077 283 T HA 0.569 5.311 4.350 0.655 0.000 0.359 283 T C -0.473 174.163 174.700 -0.108 0.000 1.108 283 T CA -0.165 61.876 62.100 -0.098 0.000 1.170 283 T CB 0.234 69.061 68.868 -0.068 0.000 1.045 283 T HN 0.632 nan 8.240 nan 0.000 0.505 284 I N -0.343 120.135 120.570 -0.153 0.000 2.892 284 I HA 0.977 5.540 4.170 0.655 0.000 0.306 284 I C -0.333 175.722 176.117 -0.104 0.000 1.078 284 I CA -1.037 60.192 61.300 -0.118 0.000 1.032 284 I CB 2.580 40.518 38.000 -0.103 0.000 1.229 284 I HN 0.497 nan 8.210 nan 0.000 0.435 285 S N 1.774 117.472 115.700 -0.005 0.000 2.638 285 S HA 0.975 5.838 4.470 0.655 0.000 0.274 285 S C -0.613 174.044 174.600 0.095 0.000 1.157 285 S CA -0.452 57.786 58.200 0.064 0.000 0.826 285 S CB 1.588 64.803 63.200 0.025 0.000 1.139 285 S HN 1.385 nan 8.310 nan 0.000 0.474 286 G N -0.005 108.845 108.800 0.083 0.000 2.766 286 G HA2 0.566 4.918 3.960 0.655 0.000 0.297 286 G HA3 0.566 4.918 3.960 0.655 0.000 0.297 286 G C -1.766 172.858 174.900 -0.460 0.000 1.431 286 G CA -0.611 44.377 45.100 -0.187 0.000 1.042 286 G HN 1.008 nan 8.290 nan 0.000 0.542 287 V N 1.718 121.219 119.914 -0.687 0.000 2.417 287 V HA 0.614 5.127 4.120 0.655 0.000 0.291 287 V C -1.178 174.510 176.094 -0.676 0.000 1.024 287 V CA -0.771 61.246 62.300 -0.471 0.000 0.861 287 V CB 0.916 32.625 31.823 -0.191 0.000 0.985 287 V HN 0.671 nan 8.190 nan 0.000 0.436 288 Y N 1.671 122.017 120.300 0.077 0.000 2.346 288 Y HA 0.394 5.335 4.550 0.652 0.000 0.332 288 Y C -0.029 175.891 175.900 0.033 0.000 0.985 288 Y CA -0.890 57.251 58.100 0.069 0.000 1.112 288 Y CB 1.620 40.147 38.460 0.112 0.000 1.170 288 Y HN 0.564 nan 8.280 nan 0.000 0.447 289 D N 4.357 124.832 120.400 0.124 0.000 2.374 289 D HA 0.151 5.184 4.640 0.655 0.000 0.240 289 D C 0.503 176.826 176.300 0.037 0.000 1.229 289 D CA 0.308 54.330 54.000 0.037 0.000 0.895 289 D CB 0.926 41.725 40.800 -0.001 0.000 1.046 289 D HN 0.732 nan 8.370 nan 0.000 0.498 290 L N 3.028 124.269 121.223 0.031 0.000 2.492 290 L HA 0.095 4.828 4.340 0.655 0.000 0.223 290 L C 2.486 179.337 176.870 -0.032 0.000 1.132 290 L CA 0.296 55.152 54.840 0.027 0.000 0.850 290 L CB -0.059 42.039 42.059 0.065 0.000 0.966 290 L HN 0.443 nan 8.230 nan 0.000 0.454 291 G N 0.915 109.640 108.800 -0.124 0.000 2.599 291 G HA2 -0.353 4.000 3.960 0.655 0.000 0.219 291 G HA3 -0.353 4.000 3.960 0.655 0.000 0.219 291 G C 1.027 175.691 174.900 -0.394 0.000 1.193 291 G CA 1.536 46.386 45.100 -0.416 0.000 0.778 291 G HN 0.324 nan 8.290 nan 0.000 0.589 292 D N -0.292 119.971 120.400 -0.229 0.000 2.149 292 D HA -0.022 5.011 4.640 0.655 0.000 0.201 292 D C 2.764 179.007 176.300 -0.094 0.000 0.972 292 D CA 0.666 54.575 54.000 -0.151 0.000 0.835 292 D CB -0.345 40.398 40.800 -0.095 0.000 0.966 292 D HN 0.244 nan 8.370 nan 0.000 0.476 293 V N 0.789 120.658 119.914 -0.076 0.000 2.295 293 V HA -0.209 4.304 4.120 0.655 0.000 0.246 293 V C 2.515 178.536 176.094 -0.121 0.000 1.049 293 V CA 1.188 63.434 62.300 -0.089 0.000 1.024 293 V CB -0.567 31.215 31.823 -0.068 0.000 0.648 293 V HN 0.218 nan 8.190 nan 0.000 0.447 294 L N -0.307 120.899 121.223 -0.028 0.000 2.083 294 L HA -0.194 4.539 4.340 0.655 0.000 0.209 294 L C 2.614 179.534 176.870 0.083 0.000 1.083 294 L CA 1.683 56.568 54.840 0.075 0.000 0.752 294 L CB -0.628 41.581 42.059 0.249 0.000 0.899 294 L HN 0.388 nan 8.230 nan 0.000 0.433 295 E N -0.081 120.155 120.200 0.060 0.000 2.150 295 E HA -0.216 4.527 4.350 0.655 0.000 0.193 295 E C 2.019 178.624 176.600 0.007 0.000 0.985 295 E CA 0.886 57.325 56.400 0.066 0.000 0.814 295 E CB 0.011 29.718 29.700 0.012 0.000 0.752 295 E HN 0.512 nan 8.360 nan 0.000 0.466 296 E N 0.022 120.188 120.200 -0.055 0.000 2.204 296 E HA -0.109 4.634 4.350 0.655 0.000 0.194 296 E C 1.594 178.112 176.600 -0.137 0.000 0.989 296 E CA 0.747 57.102 56.400 -0.074 0.000 0.824 296 E CB 0.061 29.715 29.700 -0.076 0.000 0.756 296 E HN 0.282 nan 8.360 nan 0.000 0.477 297 M N -1.061 118.419 119.600 -0.201 0.000 2.495 297 M HA 0.150 5.023 4.480 0.655 0.000 0.237 297 M C 0.888 177.177 176.300 -0.018 0.000 1.131 297 M CA 0.428 55.626 55.300 -0.171 0.000 1.032 297 M CB 1.148 33.614 32.600 -0.224 0.000 1.513 297 M HN 0.199 nan 8.290 nan 0.000 0.488 298 G N 1.696 110.503 108.800 0.012 0.000 2.134 298 G HA2 -0.189 4.164 3.960 0.655 0.000 0.209 298 G HA3 -0.189 4.164 3.960 0.655 0.000 0.209 298 G C -0.067 174.868 174.900 0.058 0.000 0.993 298 G CA -0.573 44.552 45.100 0.042 0.000 0.669 298 G HN 0.461 nan 8.290 nan 0.000 0.519 299 I N 0.890 121.512 120.570 0.086 0.000 2.412 299 I HA 0.588 5.151 4.170 0.655 0.000 0.279 299 I C 1.076 177.309 176.117 0.194 0.000 1.063 299 I CA 0.121 61.483 61.300 0.104 0.000 1.193 299 I CB 1.136 39.205 38.000 0.114 0.000 1.370 299 I HN 0.161 nan 8.210 nan 0.000 0.479 300 A N 2.839 125.750 122.820 0.150 0.000 2.141 300 A HA 0.085 4.798 4.320 0.655 0.000 0.201 300 A C 1.692 179.371 177.584 0.159 0.000 1.344 300 A CA 0.080 52.257 52.037 0.232 0.000 0.971 300 A CB 0.099 19.197 19.000 0.163 0.000 1.035 300 A HN 0.497 nan 8.150 nan 0.000 0.480 301 D N 0.946 121.376 120.400 0.050 0.000 2.149 301 D HA -0.154 4.879 4.640 0.655 0.000 0.198 301 D C 1.873 178.127 176.300 -0.078 0.000 0.990 301 D CA 1.184 55.185 54.000 0.002 0.000 0.839 301 D CB -0.171 40.623 40.800 -0.010 0.000 0.948 301 D HN 0.473 nan 8.370 nan 0.000 0.460 302 L N -0.552 120.523 121.223 -0.247 0.000 2.129 302 L HA -0.177 4.555 4.340 0.655 0.000 0.212 302 L C 1.922 178.630 176.870 -0.269 0.000 1.087 302 L CA 1.032 55.670 54.840 -0.337 0.000 0.757 302 L CB -0.501 41.141 42.059 -0.695 0.000 0.896 302 L HN 0.023 nan 8.230 nan 0.000 0.434 303 F N -0.854 119.165 119.950 0.115 0.000 2.727 303 F HA 0.075 5.213 4.527 1.018 0.000 0.302 303 F C 1.591 177.430 175.800 0.065 0.000 1.097 303 F CA -0.369 57.680 58.000 0.082 0.000 1.330 303 F CB -0.342 38.689 39.000 0.052 0.000 1.084 303 F HN -0.008 nan 8.300 nan 0.000 0.578 304 T N -3.058 111.604 114.554 0.180 0.000 2.881 304 T HA 0.169 4.912 4.350 0.655 0.000 0.278 304 T C 1.095 175.850 174.700 0.092 0.000 0.982 304 T CA -0.478 61.695 62.100 0.121 0.000 0.989 304 T CB 1.415 70.336 68.868 0.088 0.000 1.058 304 T HN 0.008 nan 8.240 nan 0.000 0.529 305 T N 0.889 115.482 114.554 0.066 0.000 3.215 305 T HA 0.067 4.810 4.350 0.655 0.000 0.254 305 T C 0.755 175.478 174.700 0.039 0.000 1.149 305 T CA 0.420 62.550 62.100 0.050 0.000 1.042 305 T CB -0.245 68.644 68.868 0.035 0.000 0.966 305 T HN 0.569 nan 8.240 nan 0.000 0.534 306 Q N 0.551 120.373 119.800 0.037 0.000 2.135 306 Q HA 0.502 5.235 4.340 0.655 0.000 0.222 306 Q C 0.364 176.371 176.000 0.012 0.000 0.808 306 Q CA -0.243 55.571 55.803 0.019 0.000 1.049 306 Q CB 0.559 29.299 28.738 0.003 0.000 1.168 306 Q HN 0.452 nan 8.270 nan 0.000 0.483 307 A N 1.415 124.258 122.820 0.038 0.000 2.488 307 A HA 0.179 4.892 4.320 0.655 0.000 0.249 307 A C 0.066 177.631 177.584 -0.032 0.000 1.083 307 A CA -0.114 51.926 52.037 0.006 0.000 0.768 307 A CB 0.123 19.226 19.000 0.171 0.000 1.017 307 A HN 0.228 nan 8.150 nan 0.000 0.496 308 N N 2.489 121.057 118.700 -0.220 0.000 2.678 308 N HA 0.293 5.425 4.740 0.655 0.000 0.231 308 N C -1.412 173.858 175.510 -0.398 0.000 1.038 308 N CA -0.054 52.872 53.050 -0.207 0.000 0.932 308 N CB -0.066 38.324 38.487 -0.161 0.000 1.176 308 N HN 0.494 nan 8.380 nan 0.000 0.511 309 F N 1.144 121.037 119.950 -0.096 0.000 2.942 309 F HA 0.135 4.436 4.527 -0.378 0.000 0.324 309 F C 1.904 177.614 175.800 -0.151 0.000 1.265 309 F CA -0.409 57.506 58.000 -0.141 0.000 1.255 309 F CB 0.310 39.218 39.000 -0.152 0.000 1.048 309 F HN 0.390 nan 8.300 nan 0.000 0.512 310 S N -0.890 114.797 115.700 -0.022 0.000 2.453 310 S HA -0.087 4.776 4.470 0.655 0.000 0.231 310 S C 1.954 176.522 174.600 -0.054 0.000 1.005 310 S CA 0.470 58.653 58.200 -0.029 0.000 0.949 310 S CB -0.114 63.068 63.200 -0.030 0.000 0.774 310 S HN 0.466 nan 8.310 nan 0.000 0.510 311 R N 0.370 120.816 120.500 -0.089 0.000 2.200 311 R HA 0.366 5.099 4.340 0.655 0.000 0.208 311 R C 1.953 178.111 176.300 -0.236 0.000 1.033 311 R CA 0.729 56.774 56.100 -0.092 0.000 1.000 311 R CB -0.331 29.946 30.300 -0.039 0.000 0.906 311 R HN 0.439 nan 8.270 nan 0.000 0.462 312 I N -0.619 119.694 120.570 -0.429 0.000 2.163 312 I HA -0.140 4.423 4.170 0.655 0.000 0.240 312 I C 1.071 177.026 176.117 -0.270 0.000 1.081 312 I CA 1.065 61.925 61.300 -0.733 0.000 1.353 312 I CB 0.127 37.766 38.000 -0.602 0.000 1.054 312 I HN 0.072 nan 8.210 nan 0.000 0.407 313 T N -1.370 113.102 114.554 -0.137 0.000 2.830 313 T HA 0.206 4.949 4.350 0.655 0.000 0.322 313 T C -0.489 174.194 174.700 -0.028 0.000 1.501 313 T CA -0.674 61.395 62.100 -0.052 0.000 1.036 313 T CB 1.628 70.471 68.868 -0.041 0.000 1.379 313 T HN 0.356 nan 8.240 nan 0.000 0.493 314 Q N 1.014 120.808 119.800 -0.008 0.000 2.217 314 Q HA 0.292 5.025 4.340 0.655 0.000 0.217 314 Q C 0.113 176.113 176.000 0.001 0.000 0.844 314 Q CA -0.118 55.684 55.803 -0.003 0.000 0.957 314 Q CB 0.394 29.133 28.738 0.002 0.000 1.127 314 Q HN 0.477 nan 8.270 nan 0.000 0.503 315 D N 1.716 122.117 120.400 0.001 0.000 2.277 315 D HA 0.139 5.172 4.640 0.655 0.000 0.208 315 D C 0.151 176.452 176.300 0.001 0.000 0.962 315 D CA 1.085 55.088 54.000 0.005 0.000 0.865 315 D CB 0.573 41.380 40.800 0.011 0.000 0.939 315 D HN 0.430 nan 8.370 nan 0.000 0.510 316 A N 0.310 123.127 122.820 -0.005 0.000 2.594 316 A HA 0.392 5.105 4.320 0.655 0.000 0.296 316 A C -1.267 176.312 177.584 -0.008 0.000 1.061 316 A CA -0.925 51.107 52.037 -0.008 0.000 0.689 316 A CB 0.980 19.971 19.000 -0.014 0.000 1.280 316 A HN -0.001 nan 8.150 nan 0.000 0.406 317 Q N 1.601 121.402 119.800 0.002 0.000 2.295 317 Q HA 0.609 5.342 4.340 0.655 0.000 0.259 317 Q C -1.109 174.900 176.000 0.016 0.000 0.976 317 Q CA -0.425 55.390 55.803 0.021 0.000 0.923 317 Q CB 0.897 29.651 28.738 0.027 0.000 1.185 317 Q HN 0.432 nan 8.270 nan 0.000 0.410 318 L N 2.963 124.204 121.223 0.029 0.000 2.352 318 L HA 0.552 5.285 4.340 0.655 0.000 0.269 318 L C -0.206 176.670 176.870 0.010 0.000 1.034 318 L CA -0.162 54.627 54.840 -0.084 0.000 0.806 318 L CB 1.647 43.519 42.059 -0.312 0.000 1.244 318 L HN 0.812 nan 8.230 nan 0.000 0.447 319 K N -0.912 119.409 120.400 -0.131 0.000 2.536 319 K HA 0.618 5.331 4.320 0.655 0.000 0.269 319 K C -1.072 175.431 176.600 -0.162 0.000 0.965 319 K CA -0.643 55.638 56.287 -0.010 0.000 0.860 319 K CB 1.652 34.212 32.500 0.100 0.000 1.423 319 K HN 0.309 nan 8.250 nan 0.000 0.438 320 S N 0.461 116.115 115.700 -0.076 0.000 2.523 320 S HA 0.119 4.982 4.470 0.655 0.000 0.275 320 S C 0.636 175.355 174.600 0.199 0.000 1.281 320 S CA -0.073 58.106 58.200 -0.034 0.000 1.050 320 S CB 0.449 63.575 63.200 -0.124 0.000 0.937 320 S HN 0.710 nan 8.310 nan 0.000 0.492 321 S N 4.126 119.923 115.700 0.162 0.000 2.527 321 S HA 0.381 5.244 4.470 0.655 0.000 0.227 321 S C 0.321 175.017 174.600 0.160 0.000 1.059 321 S CA -0.308 57.990 58.200 0.163 0.000 0.919 321 S CB 0.003 63.251 63.200 0.080 0.000 0.805 321 S HN 0.669 nan 8.310 nan 0.000 0.500 322 K N 0.474 120.974 120.400 0.166 0.000 2.543 322 K HA 0.614 5.327 4.320 0.655 0.000 0.255 322 K C -2.286 174.332 176.600 0.030 0.000 0.934 322 K CA -0.566 55.773 56.287 0.086 0.000 0.810 322 K CB 2.543 35.093 32.500 0.084 0.000 1.315 322 K HN 0.065 nan 8.250 nan 0.000 0.433 323 V N 3.687 123.569 119.914 -0.053 0.000 2.482 323 V HA 0.466 4.979 4.120 0.655 0.000 0.295 323 V C -0.997 174.951 176.094 -0.244 0.000 1.026 323 V CA -0.833 61.391 62.300 -0.127 0.000 0.856 323 V CB 1.704 33.583 31.823 0.095 0.000 1.001 323 V HN 0.492 nan 8.190 nan 0.000 0.424 324 V N 3.818 123.420 119.914 -0.520 0.000 2.638 324 V HA 0.528 5.041 4.120 0.655 0.000 0.306 324 V C -1.067 174.996 176.094 -0.051 0.000 1.052 324 V CA -0.707 61.395 62.300 -0.329 0.000 0.885 324 V CB 2.167 33.712 31.823 -0.464 0.000 0.999 324 V HN 0.976 nan 8.190 nan 0.000 0.424 325 H N 3.612 122.716 119.070 0.057 0.000 2.547 325 H HA 0.638 5.587 4.556 0.654 0.000 0.342 325 H C -0.699 174.776 175.328 0.245 0.000 1.048 325 H CA -0.459 55.694 56.048 0.175 0.000 1.204 325 H CB 1.465 31.343 29.762 0.195 0.000 1.493 325 H HN 0.619 nan 8.280 nan 0.000 0.511 326 K N 3.761 124.025 120.400 -0.227 0.000 2.324 326 K HA 0.799 5.512 4.320 0.655 0.000 0.253 326 K C -1.741 174.739 176.600 -0.201 0.000 0.932 326 K CA -0.893 55.309 56.287 -0.142 0.000 0.799 326 K CB 1.389 33.901 32.500 0.021 0.000 1.154 326 K HN 0.683 nan 8.250 nan 0.000 0.425 327 A N 2.522 125.359 122.820 0.029 0.000 2.486 327 A HA 0.646 5.359 4.320 0.655 0.000 0.300 327 A C -1.255 176.573 177.584 0.407 0.000 1.048 327 A CA -0.731 51.474 52.037 0.279 0.000 0.696 327 A CB 1.426 20.657 19.000 0.384 0.000 1.278 327 A HN 0.498 nan 8.150 nan 0.000 0.405 328 V N -0.321 119.810 119.914 0.362 0.000 2.823 328 V HA 0.932 5.445 4.120 0.655 0.000 0.312 328 V C -0.933 175.059 176.094 -0.171 0.000 1.072 328 V CA -0.870 61.491 62.300 0.102 0.000 0.937 328 V CB 1.429 33.290 31.823 0.063 0.000 1.013 328 V HN 1.289 nan 8.190 nan 0.000 0.430 329 L N 2.504 123.425 121.223 -0.505 0.000 2.408 329 L HA 0.705 5.438 4.340 0.655 0.000 0.268 329 L C -0.683 175.984 176.870 -0.338 0.000 0.986 329 L CA -0.038 54.386 54.840 -0.693 0.000 0.820 329 L CB 2.205 43.402 42.059 -1.437 0.000 1.303 329 L HN 0.927 nan 8.230 nan 0.000 0.411 330 Q N 4.269 123.933 119.800 -0.228 0.000 2.292 330 Q HA 0.568 5.301 4.340 0.655 0.000 0.270 330 Q C -1.739 174.226 176.000 -0.059 0.000 1.024 330 Q CA -0.762 54.968 55.803 -0.121 0.000 0.768 330 Q CB 2.550 31.235 28.738 -0.089 0.000 1.250 330 Q HN 0.485 nan 8.270 nan 0.000 0.447 331 L N 3.716 124.941 121.223 0.003 0.000 2.313 331 L HA 0.509 5.242 4.340 0.655 0.000 0.283 331 L C -0.458 176.457 176.870 0.076 0.000 1.013 331 L CA -0.221 54.682 54.840 0.105 0.000 0.816 331 L CB 1.274 43.445 42.059 0.187 0.000 1.236 331 L HN 0.697 nan 8.230 nan 0.000 0.419 332 N N 0.649 119.428 118.700 0.132 0.000 3.157 332 N HA 0.301 5.434 4.740 0.655 0.000 0.291 332 N C 0.245 175.916 175.510 0.270 0.000 1.515 332 N CA -0.746 52.372 53.050 0.114 0.000 0.807 332 N CB 0.478 39.003 38.487 0.063 0.000 1.672 332 N HN 0.259 nan 8.380 nan 0.000 0.592 333 E N -0.428 119.901 120.200 0.214 0.000 2.204 333 E HA -0.067 4.675 4.350 0.655 0.000 0.194 333 E C 0.620 177.535 176.600 0.525 0.000 0.989 333 E CA 1.284 57.895 56.400 0.351 0.000 0.824 333 E CB -0.018 29.810 29.700 0.213 0.000 0.756 333 E HN 0.607 nan 8.360 nan 0.000 0.477 334 E N -0.780 119.620 120.200 0.334 0.000 2.122 334 E HA 0.205 4.948 4.350 0.655 0.000 0.190 334 E C 0.931 177.586 176.600 0.092 0.000 0.977 334 E CA 0.925 57.465 56.400 0.234 0.000 0.820 334 E CB 0.379 30.134 29.700 0.091 0.000 0.770 334 E HN 0.228 nan 8.360 nan 0.000 0.462 335 G N -1.540 107.152 108.800 -0.181 0.000 2.485 335 G HA2 0.279 4.632 3.960 0.655 0.000 0.182 335 G HA3 0.279 4.632 3.960 0.655 0.000 0.182 335 G C -1.060 173.487 174.900 -0.589 0.000 1.172 335 G CA -0.348 44.214 45.100 -0.896 0.000 0.996 335 G HN -0.061 nan 8.290 nan 0.000 0.496 336 T N 1.193 115.441 114.554 -0.509 0.000 2.886 336 T HA 0.645 5.387 4.350 0.655 0.000 0.292 336 T C -1.278 173.214 174.700 -0.346 0.000 1.012 336 T CA -0.438 61.498 62.100 -0.273 0.000 0.982 336 T CB 2.069 70.894 68.868 -0.071 0.000 1.018 336 T HN 0.414 nan 8.240 nan 0.000 0.451 337 E N 1.404 121.454 120.200 -0.252 0.000 2.182 337 E HA 0.625 5.368 4.350 0.655 0.000 0.258 337 E C -1.049 175.382 176.600 -0.282 0.000 0.879 337 E CA -0.800 55.411 56.400 -0.314 0.000 0.754 337 E CB 1.873 31.453 29.700 -0.200 0.000 1.162 337 E HN 0.679 nan 8.360 nan 0.000 0.419 338 A N 2.201 124.817 122.820 -0.339 0.000 2.393 338 A HA 0.871 5.584 4.320 0.655 0.000 0.306 338 A C -1.151 176.329 177.584 -0.173 0.000 1.050 338 A CA -0.510 51.313 52.037 -0.356 0.000 0.724 338 A CB 1.695 20.203 19.000 -0.820 0.000 1.248 338 A HN 0.582 nan 8.150 nan 0.000 0.424 339 A N 0.814 123.700 122.820 0.110 0.000 2.475 339 A HA 0.963 5.676 4.320 0.655 0.000 0.301 339 A C -0.127 177.754 177.584 0.495 0.000 1.059 339 A CA -0.104 52.163 52.037 0.384 0.000 0.710 339 A CB 1.799 21.054 19.000 0.424 0.000 1.288 339 A HN 2.213 nan 8.150 nan 0.000 0.408 340 G N -0.766 108.345 108.800 0.518 0.000 2.696 340 G HA2 0.851 5.204 3.960 0.655 0.000 0.295 340 G HA3 0.851 5.204 3.960 0.655 0.000 0.295 340 G C -0.937 174.174 174.900 0.352 0.000 1.398 340 G CA 0.130 45.473 45.100 0.404 0.000 0.920 340 G HN 1.934 nan 8.290 nan 0.000 0.492 341 A N 1.232 124.200 122.820 0.246 0.000 2.549 341 A HA 0.863 5.576 4.320 0.655 0.000 0.297 341 A C -0.985 176.808 177.584 0.349 0.000 1.061 341 A CA -0.544 51.688 52.037 0.326 0.000 0.690 341 A CB 2.004 21.195 19.000 0.319 0.000 1.287 341 A HN 0.856 nan 8.150 nan 0.000 0.402 342 M N 1.955 121.800 119.600 0.409 0.000 2.446 342 M HA 0.728 5.601 4.480 0.655 0.000 0.294 342 M C -1.949 174.595 176.300 0.407 0.000 1.158 342 M CA -0.745 54.784 55.300 0.383 0.000 0.899 342 M CB 2.060 34.859 32.600 0.331 0.000 1.687 342 M HN 0.903 nan 8.290 nan 0.000 0.455 343 F N 3.083 123.186 119.950 0.254 0.000 2.565 343 F HA 0.790 5.711 4.527 0.657 0.000 0.313 343 F C -2.397 173.531 175.800 0.212 0.000 1.091 343 F CA -1.023 57.127 58.000 0.250 0.000 0.915 343 F CB 1.186 40.375 39.000 0.314 0.000 1.208 343 F HN 0.495 nan 8.300 nan 0.000 0.453 344 L N 3.684 125.106 121.223 0.332 0.000 2.349 344 L HA 0.542 5.275 4.340 0.655 0.000 0.278 344 L C -0.923 176.127 176.870 0.301 0.000 0.996 344 L CA -0.320 54.643 54.840 0.206 0.000 0.825 344 L CB 1.711 43.842 42.059 0.119 0.000 1.243 344 L HN 0.809 nan 8.230 nan 0.000 0.412 345 E N 3.631 124.005 120.200 0.290 0.000 2.231 345 E HA 0.646 5.389 4.350 0.655 0.000 0.277 345 E C -0.884 175.750 176.600 0.056 0.000 0.999 345 E CA -0.672 55.872 56.400 0.240 0.000 0.827 345 E CB 1.868 31.756 29.700 0.313 0.000 1.101 345 E HN 0.651 nan 8.360 nan 0.000 0.393 346 A N 3.526 126.322 122.820 -0.039 0.000 2.343 346 A HA 0.659 5.372 4.320 0.655 0.000 0.316 346 A C -0.526 176.978 177.584 -0.133 0.000 1.104 346 A CA -0.702 51.236 52.037 -0.165 0.000 0.768 346 A CB 0.429 19.245 19.000 -0.307 0.000 1.213 346 A HN 0.638 nan 8.150 nan 0.000 0.456 347 I N -0.637 119.862 120.570 -0.117 0.000 2.892 347 I HA 0.686 5.249 4.170 0.655 0.000 0.306 347 I C -2.871 173.201 176.117 -0.075 0.000 1.078 347 I CA -3.176 58.074 61.300 -0.083 0.000 1.032 347 I CB 2.215 40.185 38.000 -0.049 0.000 1.229 347 I HN 0.220 nan 8.210 nan 0.000 0.435 348 P HA 0.011 nan 4.420 nan 0.000 0.260 348 P C -0.709 176.580 177.300 -0.018 0.000 1.185 348 P CA 0.136 63.215 63.100 -0.034 0.000 0.763 348 P CB 0.321 32.006 31.700 -0.026 0.000 0.776 352 P HA 0.164 nan 4.420 nan 0.000 0.269 352 P C -0.319 176.927 177.300 -0.089 0.000 1.215 352 P CA -0.165 62.891 63.100 -0.074 0.000 0.780 352 P CB 0.462 32.119 31.700 -0.071 0.000 0.898 353 I N 1.459 121.936 120.570 -0.155 0.000 2.556 353 I HA 0.079 4.642 4.170 0.655 0.000 0.284 353 I C 0.750 176.782 176.117 -0.142 0.000 1.114 353 I CA -0.114 61.061 61.300 -0.207 0.000 1.418 353 I CB 0.066 37.784 38.000 -0.471 0.000 1.394 353 I HN 0.162 nan 8.210 nan 0.000 0.552 354 I N 7.306 127.835 120.570 -0.067 0.000 2.297 354 I HA 0.219 4.782 4.170 0.655 0.000 0.291 354 I C -0.587 175.536 176.117 0.010 0.000 1.033 354 I CA -0.427 60.888 61.300 0.026 0.000 1.253 354 I CB 1.067 39.098 38.000 0.052 0.000 1.396 354 I HN 0.339 nan 8.210 nan 0.000 0.476 355 L N 8.027 129.284 121.223 0.058 0.000 2.316 355 L HA 0.477 5.210 4.340 0.655 0.000 0.280 355 L C -0.382 176.513 176.870 0.041 0.000 1.006 355 L CA -0.237 54.605 54.840 0.004 0.000 0.836 355 L CB 1.016 43.114 42.059 0.065 0.000 1.221 355 L HN 0.515 nan 8.230 nan 0.000 0.418 356 R N 4.349 124.776 120.500 -0.123 0.000 2.360 356 R HA 0.372 5.105 4.340 0.655 0.000 0.318 356 R C -1.178 174.979 176.300 -0.238 0.000 0.950 356 R CA -0.498 55.561 56.100 -0.069 0.000 0.837 356 R CB 0.621 30.822 30.300 -0.165 0.000 1.165 356 R HN 0.539 nan 8.270 nan 0.000 0.458 357 F N 4.835 124.717 119.950 -0.113 0.000 2.660 357 F HA 0.138 5.058 4.527 0.655 0.000 0.342 357 F C 0.887 176.624 175.800 -0.104 0.000 1.195 357 F CA -0.501 57.355 58.000 -0.239 0.000 1.300 357 F CB 0.247 38.848 39.000 -0.666 0.000 1.616 357 F HN 0.512 nan 8.300 nan 0.000 0.592 358 N N 0.903 119.559 118.700 -0.074 0.000 2.279 358 N HA 0.049 5.182 4.740 0.655 0.000 0.226 358 N C -0.361 174.656 175.510 -0.821 0.000 1.126 358 N CA -0.151 52.753 53.050 -0.244 0.000 0.846 358 N CB 0.000 38.445 38.487 -0.070 0.000 1.050 358 N HN 0.605 nan 8.380 nan 0.000 0.502 359 Q N -2.427 116.885 119.800 -0.814 0.000 2.687 359 Q HA 0.496 5.229 4.340 0.655 0.000 0.295 359 Q C -3.331 172.697 176.000 0.046 0.000 0.920 359 Q CA -1.971 53.436 55.803 -0.660 0.000 0.766 359 Q CB 0.644 29.266 28.738 -0.194 0.000 1.467 359 Q HN -0.200 nan 8.270 nan 0.000 0.415 360 P HA -0.048 nan 4.420 nan 0.000 0.259 360 P C -1.251 176.339 177.300 0.482 0.000 1.163 360 P CA 0.812 64.154 63.100 0.403 0.000 0.760 360 P CB -0.144 31.703 31.700 0.245 0.000 0.762 361 F N 1.719 121.897 119.950 0.380 0.000 2.664 361 F HA 0.736 5.657 4.527 0.656 0.000 0.317 361 F C -1.125 174.902 175.800 0.378 0.000 1.108 361 F CA -1.652 56.592 58.000 0.407 0.000 0.957 361 F CB 0.859 40.237 39.000 0.630 0.000 1.365 361 F HN -0.016 nan 8.300 nan 0.000 0.475 362 I N 2.438 123.322 120.570 0.524 0.000 2.441 362 I HA 0.508 5.071 4.170 0.655 0.000 0.295 362 I C -0.768 175.590 176.117 0.402 0.000 0.994 362 I CA -0.706 60.813 61.300 0.365 0.000 1.144 362 I CB 1.863 40.060 38.000 0.327 0.000 1.314 362 I HN 0.469 nan 8.210 nan 0.000 0.445 363 I N 6.300 127.029 120.570 0.265 0.000 2.433 363 I HA 0.489 5.052 4.170 0.655 0.000 0.292 363 I C -0.653 175.522 176.117 0.098 0.000 1.001 363 I CA -0.550 60.850 61.300 0.166 0.000 1.119 363 I CB 1.761 39.892 38.000 0.219 0.000 1.289 363 I HN 0.410 nan 8.210 nan 0.000 0.438 364 M N 7.258 126.908 119.600 0.083 0.000 2.106 364 M HA 0.512 5.385 4.480 0.655 0.000 0.288 364 M C -1.065 175.276 176.300 0.069 0.000 0.941 364 M CA -0.325 55.009 55.300 0.056 0.000 0.934 364 M CB 2.254 35.009 32.600 0.258 0.000 1.551 364 M HN 0.376 nan 8.290 nan 0.000 0.437 365 I N 3.360 123.881 120.570 -0.083 0.000 2.321 365 I HA 0.478 5.041 4.170 0.655 0.000 0.291 365 I C -0.932 175.048 176.117 -0.227 0.000 0.998 365 I CA -0.246 61.061 61.300 0.012 0.000 1.227 365 I CB 0.737 38.810 38.000 0.122 0.000 1.368 365 I HN 0.523 nan 8.210 nan 0.000 0.466 366 F N 3.451 123.481 119.950 0.133 0.000 2.556 366 F HA 0.372 5.292 4.527 0.655 0.000 0.327 366 F C 0.284 176.154 175.800 0.116 0.000 1.059 366 F CA -0.711 57.348 58.000 0.098 0.000 0.953 366 F CB 1.450 40.532 39.000 0.137 0.000 1.227 366 F HN 0.342 nan 8.300 nan 0.000 0.478 367 D N 0.343 120.962 120.400 0.365 0.000 2.232 367 D HA 0.159 5.192 4.640 0.655 0.000 0.242 367 D C 0.533 177.077 176.300 0.408 0.000 1.093 367 D CA -0.020 54.196 54.000 0.359 0.000 0.845 367 D CB 0.879 41.875 40.800 0.327 0.000 1.124 367 D HN 0.579 nan 8.370 nan 0.000 0.467 368 H N 2.300 121.613 119.070 0.404 0.000 2.457 368 H HA -0.030 4.919 4.556 0.655 0.000 0.294 368 H C 1.243 176.703 175.328 0.220 0.000 1.064 368 H CA 1.022 57.293 56.048 0.372 0.000 1.330 368 H CB 0.293 30.228 29.762 0.288 0.000 1.395 368 H HN 0.398 nan 8.280 nan 0.000 0.541 369 F N 0.214 120.291 119.950 0.211 0.000 2.187 369 F HA -0.108 4.812 4.527 0.654 0.000 0.295 369 F C 2.152 177.895 175.800 -0.095 0.000 1.091 369 F CA 1.593 59.621 58.000 0.047 0.000 1.308 369 F CB 0.214 39.261 39.000 0.078 0.000 1.030 369 F HN 0.118 nan 8.300 nan 0.000 0.487 370 T N -6.381 108.300 114.554 0.212 0.000 3.043 370 T HA 0.036 4.779 4.350 0.655 0.000 0.272 370 T C 0.077 174.868 174.700 0.151 0.000 0.990 370 T CA -0.036 62.121 62.100 0.095 0.000 0.897 370 T CB -0.376 68.588 68.868 0.160 0.000 1.111 370 T HN 0.291 nan 8.240 nan 0.000 0.529 371 W N 1.955 123.336 121.300 0.134 0.000 4.551 371 W HA -0.212 4.839 4.660 0.653 0.000 0.343 371 W C -0.392 176.220 176.519 0.154 0.000 1.269 371 W CA -0.264 57.140 57.345 0.099 0.000 0.799 371 W CB -2.866 26.605 29.460 0.019 0.000 2.352 371 W HN 0.342 nan 8.180 nan 0.000 1.462 372 S N 0.183 116.082 115.700 0.332 0.000 2.565 372 S HA 0.287 5.150 4.470 0.655 0.000 0.276 372 S C 0.665 175.353 174.600 0.146 0.000 1.326 372 S CA -0.226 58.076 58.200 0.171 0.000 1.045 372 S CB 1.833 65.057 63.200 0.041 0.000 0.918 372 S HN 0.161 nan 8.310 nan 0.000 0.505 373 S N 3.059 118.734 115.700 -0.041 0.000 2.416 373 S HA 0.223 5.086 4.470 0.655 0.000 0.302 373 S C 1.026 175.350 174.600 -0.459 0.000 1.120 373 S CA -0.688 57.253 58.200 -0.433 0.000 1.067 373 S CB -0.670 62.255 63.200 -0.458 0.000 1.057 373 S HN 0.616 nan 8.310 nan 0.000 0.518 374 L N 4.400 125.315 121.223 -0.513 0.000 2.068 374 L HA 0.297 5.030 4.340 0.655 0.000 0.204 374 L C -0.145 176.111 176.870 -1.023 0.000 1.076 374 L CA 0.742 55.173 54.840 -0.682 0.000 0.753 374 L CB -0.054 41.695 42.059 -0.516 0.000 0.910 374 L HN 0.529 nan 8.230 nan 0.000 0.439 375 F N -0.992 118.733 119.950 -0.375 0.000 2.601 375 F HA 0.581 5.503 4.527 0.657 0.000 0.309 375 F C -0.610 174.967 175.800 -0.372 0.000 1.089 375 F CA -0.606 57.168 58.000 -0.377 0.000 0.940 375 F CB 1.953 40.823 39.000 -0.216 0.000 1.273 375 F HN -0.324 nan 8.300 nan 0.000 0.450 376 L N 2.428 123.525 121.223 -0.211 0.000 2.408 376 L HA 0.904 5.637 4.340 0.655 0.000 0.268 376 L C -0.917 175.969 176.870 0.026 0.000 0.986 376 L CA -0.839 53.891 54.840 -0.183 0.000 0.820 376 L CB 2.123 43.965 42.059 -0.361 0.000 1.303 376 L HN 0.780 nan 8.230 nan 0.000 0.411 377 A N 3.079 126.014 122.820 0.192 0.000 2.435 377 A HA 0.785 5.497 4.320 0.655 0.000 0.304 377 A C -1.110 176.687 177.584 0.355 0.000 1.064 377 A CA -0.652 51.624 52.037 0.399 0.000 0.727 377 A CB 2.051 21.347 19.000 0.492 0.000 1.284 377 A HN 0.743 nan 8.150 nan 0.000 0.415 378 R N 2.326 123.030 120.500 0.339 0.000 2.358 378 R HA 0.510 5.243 4.340 0.655 0.000 0.309 378 R C -1.700 174.642 176.300 0.070 0.000 1.026 378 R CA -0.294 55.937 56.100 0.218 0.000 0.909 378 R CB 1.094 31.522 30.300 0.212 0.000 1.153 378 R HN 0.493 nan 8.270 nan 0.000 0.515 379 V N 6.817 126.651 119.914 -0.135 0.000 2.356 379 V HA 0.078 4.591 4.120 0.655 0.000 0.258 379 V C 1.151 177.228 176.094 -0.029 0.000 1.065 379 V CA -0.174 61.986 62.300 -0.233 0.000 0.935 379 V CB 1.176 32.558 31.823 -0.735 0.000 1.061 379 V HN 0.827 nan 8.190 nan 0.000 0.484 380 M N 2.125 121.758 119.600 0.054 0.000 2.447 380 M HA 0.202 5.075 4.480 0.655 0.000 0.266 380 M C 0.738 177.147 176.300 0.182 0.000 1.120 380 M CA 0.885 56.281 55.300 0.160 0.000 1.166 380 M CB -0.353 32.317 32.600 0.117 0.000 1.349 380 M HN 0.637 nan 8.290 nan 0.000 0.463 381 N N 0.805 119.496 118.700 -0.015 0.000 2.500 381 N HA 0.246 5.379 4.740 0.655 0.000 0.291 381 N C -2.423 172.915 175.510 -0.286 0.000 1.092 381 N CA -1.259 51.685 53.050 -0.176 0.000 0.890 381 N CB 2.545 41.000 38.487 -0.053 0.000 1.466 381 N HN -0.133 nan 8.380 nan 0.000 0.507 382 P HA 0.010 nan 4.420 nan 0.000 0.231 382 P C 0.580 177.755 177.300 -0.209 0.000 1.168 382 P CA 0.332 63.231 63.100 -0.334 0.000 0.779 382 P CB 0.695 32.155 31.700 -0.400 0.000 0.844 383 V N 0.000 119.793 119.914 -0.202 0.000 2.409 383 V HA 0.000 4.513 4.120 0.655 0.000 0.244 383 V CA 0.000 62.229 62.300 -0.118 0.000 1.235 383 V CB 0.000 31.766 31.823 -0.095 0.000 1.184 383 V HN 0.000 nan 8.190 nan 0.000 0.556