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 1pyg_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP XXXXXXXXXX DATA SEQUENCE XXXXQAVLDR NLAENISXXX XXXXXXXXXK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV LPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPA 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.289 176.300 -0.018 0.000 0.893 10 R CA 0.000 56.087 56.100 -0.021 0.000 0.921 10 R CB 0.000 30.285 30.300 -0.025 0.000 0.687 11 K N -0.064 120.325 120.400 -0.019 0.000 10.062 11 K HA -0.307 4.013 4.320 0.001 0.000 0.515 11 K C 1.189 177.785 176.600 -0.007 0.000 0.373 11 K CA 2.234 58.514 56.287 -0.012 0.000 1.953 11 K CB -1.176 31.319 32.500 -0.009 0.000 0.729 11 K HN 0.746 nan 8.250 nan 0.000 1.124 12 Q N 0.614 120.409 119.800 -0.008 0.000 2.541 12 Q HA 0.030 4.371 4.340 0.001 0.000 0.215 12 Q C 0.243 176.239 176.000 -0.007 0.000 0.977 12 Q CA 0.612 56.411 55.803 -0.007 0.000 0.934 12 Q CB -0.034 28.699 28.738 -0.008 0.000 0.988 12 Q HN 0.455 nan 8.270 nan 0.000 0.521 13 I N 0.838 121.403 120.570 -0.009 0.000 2.306 13 I HA 0.148 4.319 4.170 0.001 0.000 0.288 13 I C -0.240 175.876 176.117 -0.003 0.000 1.036 13 I CA -0.333 60.963 61.300 -0.008 0.000 1.221 13 I CB 1.229 39.222 38.000 -0.012 0.000 1.385 13 I HN -0.168 nan 8.210 nan 0.000 0.472 14 S N 4.125 119.827 115.700 0.003 0.000 2.536 14 S HA 0.341 4.811 4.470 0.001 0.000 0.271 14 S C 0.693 175.302 174.600 0.015 0.000 1.134 14 S CA -0.773 57.433 58.200 0.010 0.000 0.897 14 S CB 1.803 65.009 63.200 0.009 0.000 1.094 14 S HN 0.350 nan 8.310 nan 0.000 0.473 15 V N 4.468 124.396 119.914 0.024 0.000 2.626 15 V HA -0.030 4.090 4.120 0.001 0.000 0.252 15 V C 2.734 178.841 176.094 0.022 0.000 1.067 15 V CA 1.448 63.765 62.300 0.028 0.000 1.081 15 V CB -1.118 30.729 31.823 0.039 0.000 0.686 15 V HN 0.941 nan 8.190 nan 0.000 0.468 16 R N 1.472 121.983 120.500 0.020 0.000 2.224 16 R HA -0.292 4.048 4.340 0.001 0.000 0.255 16 R C 2.058 178.367 176.300 0.016 0.000 1.130 16 R CA 2.727 58.837 56.100 0.017 0.000 0.957 16 R CB -1.005 29.303 30.300 0.014 0.000 0.907 16 R HN 0.594 nan 8.270 nan 0.000 0.446 17 G N -0.233 108.575 108.800 0.013 0.000 2.599 17 G HA2 -0.028 3.933 3.960 0.001 0.000 0.210 17 G HA3 -0.028 3.933 3.960 0.001 0.000 0.210 17 G C 1.675 176.584 174.900 0.016 0.000 1.177 17 G CA 0.343 45.451 45.100 0.014 0.000 0.835 17 G HN 0.287 nan 8.290 nan 0.000 0.575 18 L N 1.105 122.333 121.223 0.008 0.000 2.397 18 L HA -0.399 3.942 4.340 0.001 0.000 0.225 18 L C 3.174 180.040 176.870 -0.007 0.000 1.116 18 L CA 1.923 56.763 54.840 0.001 0.000 0.850 18 L CB -0.681 41.378 42.059 0.001 0.000 0.919 18 L HN 0.329 nan 8.230 nan 0.000 0.453 19 A N -0.892 121.925 122.820 -0.006 0.000 1.872 19 A HA 0.312 4.633 4.320 0.001 0.000 0.214 19 A C 1.400 179.000 177.584 0.027 0.000 1.187 19 A CA 1.387 53.395 52.037 -0.048 0.000 0.614 19 A CB -0.722 18.273 19.000 -0.009 0.000 0.826 19 A HN 0.779 nan 8.150 nan 0.000 0.442 20 G N -2.192 106.650 108.800 0.070 0.000 2.756 20 G HA2 0.038 3.999 3.960 0.001 0.000 0.678 20 G HA3 0.038 3.999 3.960 0.001 0.000 0.678 20 G C -0.273 174.711 174.900 0.140 0.000 1.349 20 G CA -0.559 44.598 45.100 0.094 0.000 0.847 20 G HN 1.317 nan 8.290 nan 0.000 0.548 21 V N -0.637 119.335 119.914 0.098 0.000 2.585 21 V HA 0.308 4.428 4.120 0.001 0.000 0.296 21 V C 0.911 177.051 176.094 0.077 0.000 1.035 21 V CA 0.381 62.723 62.300 0.070 0.000 1.084 21 V CB 1.049 32.898 31.823 0.044 0.000 0.953 21 V HN 0.632 nan 8.190 nan 0.000 0.483 22 E N 4.492 124.706 120.200 0.024 0.000 1.802 22 E HA 0.229 4.579 4.350 0.001 0.000 0.265 22 E C -0.135 176.442 176.600 -0.038 0.000 1.168 22 E CA -0.191 56.170 56.400 -0.064 0.000 1.033 22 E CB 0.009 29.598 29.700 -0.184 0.000 1.095 22 E HN 0.906 nan 8.360 nan 0.000 0.436 23 N N -1.230 117.472 118.700 0.003 0.000 2.571 23 N HA 0.122 4.862 4.740 0.001 0.000 0.273 23 N C 0.291 175.813 175.510 0.019 0.000 1.340 23 N CA -0.874 52.180 53.050 0.006 0.000 0.789 23 N CB 0.805 39.300 38.487 0.014 0.000 1.514 23 N HN -0.071 nan 8.380 nan 0.000 0.499 24 V N -0.025 119.898 119.914 0.015 0.000 2.407 24 V HA -0.198 3.923 4.120 0.001 0.000 0.248 24 V C 1.901 178.013 176.094 0.030 0.000 1.055 24 V CA 2.387 64.698 62.300 0.019 0.000 1.049 24 V CB -1.179 30.651 31.823 0.012 0.000 0.662 24 V HN 0.855 nan 8.190 nan 0.000 0.455 25 T N -0.556 114.017 114.554 0.031 0.000 2.708 25 T HA -0.190 4.160 4.350 0.001 0.000 0.266 25 T C 1.942 176.675 174.700 0.055 0.000 1.037 25 T CA 1.582 63.704 62.100 0.037 0.000 1.146 25 T CB -0.235 68.652 68.868 0.031 0.000 0.865 25 T HN 0.355 nan 8.240 nan 0.000 0.435 26 E N 0.731 120.968 120.200 0.062 0.000 2.072 26 E HA 0.001 4.352 4.350 0.001 0.000 0.191 26 E C 2.080 178.750 176.600 0.116 0.000 0.985 26 E CA 0.461 56.912 56.400 0.085 0.000 0.801 26 E CB -0.488 29.265 29.700 0.088 0.000 0.750 26 E HN 0.207 nan 8.360 nan 0.000 0.452 27 L N 0.757 122.047 121.223 0.111 0.000 2.141 27 L HA -0.084 4.257 4.340 0.001 0.000 0.209 27 L C 1.954 178.919 176.870 0.158 0.000 1.094 27 L CA 1.505 56.433 54.840 0.147 0.000 0.763 27 L CB -0.710 41.410 42.059 0.101 0.000 0.908 27 L HN 0.107 nan 8.230 nan 0.000 0.437 28 K N -0.369 120.093 120.400 0.104 0.000 2.062 28 K HA -0.132 4.188 4.320 0.001 0.000 0.205 28 K C 2.053 178.748 176.600 0.158 0.000 1.051 28 K CA 0.841 57.187 56.287 0.097 0.000 0.941 28 K CB 0.086 32.607 32.500 0.035 0.000 0.719 28 K HN 0.257 nan 8.250 nan 0.000 0.440 29 K N 0.692 121.169 120.400 0.129 0.000 2.044 29 K HA -0.150 4.170 4.320 0.001 0.000 0.210 29 K C 1.819 178.508 176.600 0.149 0.000 1.049 29 K CA 1.441 57.804 56.287 0.126 0.000 0.927 29 K CB -0.139 32.417 32.500 0.093 0.000 0.713 29 K HN 0.170 nan 8.250 nan 0.000 0.443 30 N N 0.413 119.211 118.700 0.164 0.000 2.216 30 N HA -0.128 4.612 4.740 0.001 0.000 0.183 30 N C 1.726 177.393 175.510 0.261 0.000 1.017 30 N CA 0.803 53.949 53.050 0.160 0.000 0.861 30 N CB -0.284 38.327 38.487 0.207 0.000 0.986 30 N HN 0.100 nan 8.380 nan 0.000 0.428 31 F N 3.071 123.122 119.950 0.168 0.000 2.065 31 F HA -0.186 4.341 4.527 0.001 0.000 0.298 31 F C 2.017 177.888 175.800 0.117 0.000 1.112 31 F CA 1.519 59.614 58.000 0.159 0.000 1.212 31 F CB -0.433 38.621 39.000 0.090 0.000 0.975 31 F HN -0.019 nan 8.300 nan 0.000 0.476 32 N N 0.502 119.415 118.700 0.354 0.000 2.120 32 N HA -0.214 4.527 4.740 0.001 0.000 0.188 32 N C 2.113 177.687 175.510 0.106 0.000 1.024 32 N CA 1.402 54.591 53.050 0.230 0.000 0.852 32 N CB -0.578 38.089 38.487 0.299 0.000 1.003 32 N HN 0.393 nan 8.380 nan 0.000 0.424 33 R N 0.528 121.083 120.500 0.092 0.000 2.080 33 R HA -0.143 4.197 4.340 0.001 0.000 0.236 33 R C 2.051 178.301 176.300 -0.082 0.000 1.137 33 R CA 1.412 57.553 56.100 0.069 0.000 0.943 33 R CB -0.217 30.073 30.300 -0.016 0.000 0.846 33 R HN 0.373 nan 8.270 nan 0.000 0.431 34 H N 0.258 119.297 119.070 -0.051 0.000 2.387 34 H HA -0.155 4.401 4.556 0.001 0.000 0.299 34 H C 2.110 177.261 175.328 -0.294 0.000 1.090 34 H CA 1.619 57.562 56.048 -0.174 0.000 1.332 34 H CB -0.270 29.379 29.762 -0.188 0.000 1.386 34 H HN 0.223 nan 8.280 nan 0.000 0.516 35 L N 0.554 121.596 121.223 -0.301 0.000 2.079 35 L HA -0.182 4.158 4.340 0.001 0.000 0.210 35 L C 2.240 178.790 176.870 -0.533 0.000 1.081 35 L CA 1.719 56.280 54.840 -0.466 0.000 0.752 35 L CB -0.363 41.348 42.059 -0.580 0.000 0.896 35 L HN 0.239 nan 8.230 nan 0.000 0.433 36 H N -1.603 117.273 119.070 -0.323 0.000 2.297 36 H HA 0.074 4.630 4.556 0.001 0.000 0.317 36 H C 2.090 177.082 175.328 -0.561 0.000 1.062 36 H CA 1.734 57.469 56.048 -0.522 0.000 1.431 36 H CB -0.657 28.603 29.762 -0.836 0.000 1.452 36 H HN 0.266 nan 8.280 nan 0.000 0.565 37 F N 1.164 121.125 119.950 0.019 0.000 2.234 37 F HA -0.088 4.440 4.527 0.001 0.000 0.299 37 F C 2.565 178.308 175.800 -0.096 0.000 1.087 37 F CA 1.006 58.978 58.000 -0.047 0.000 1.340 37 F CB -0.740 38.219 39.000 -0.070 0.000 1.031 37 F HN 0.098 nan 8.300 nan 0.000 0.500 38 T N 0.159 114.703 114.554 -0.016 0.000 2.814 38 T HA 0.035 4.385 4.350 0.001 0.000 0.254 38 T C 1.969 176.568 174.700 -0.169 0.000 1.037 38 T CA 0.904 62.936 62.100 -0.113 0.000 1.143 38 T CB -0.391 68.372 68.868 -0.175 0.000 0.866 38 T HN 0.130 nan 8.240 nan 0.000 0.431 39 L N 1.502 122.610 121.223 -0.193 0.000 2.591 39 L HA 0.202 4.542 4.340 0.001 0.000 0.228 39 L C 0.313 177.086 176.870 -0.162 0.000 1.133 39 L CA -0.150 54.569 54.840 -0.202 0.000 0.880 39 L CB -0.376 41.551 42.059 -0.220 0.000 1.033 39 L HN -0.011 nan 8.230 nan 0.000 0.450 40 V N 0.601 120.434 119.914 -0.136 0.000 5.915 40 V HA -0.312 3.808 4.120 0.001 0.000 0.250 40 V C 0.054 176.080 176.094 -0.113 0.000 0.647 40 V CA 1.139 63.378 62.300 -0.102 0.000 0.573 40 V CB -2.099 29.687 31.823 -0.063 0.000 0.266 40 V HN 0.490 nan 8.190 nan 0.000 0.580 41 K N 1.046 121.356 120.400 -0.150 0.000 2.399 41 K HA 0.839 5.159 4.320 0.001 0.000 0.260 41 K C -0.596 175.933 176.600 -0.119 0.000 1.049 41 K CA -0.229 55.969 56.287 -0.148 0.000 0.890 41 K CB 2.035 34.409 32.500 -0.209 0.000 1.430 41 K HN 0.589 nan 8.250 nan 0.000 0.459 42 D N -1.358 118.986 120.400 -0.093 0.000 2.643 42 D HA 0.241 4.882 4.640 0.001 0.000 0.283 42 D C -0.112 176.183 176.300 -0.008 0.000 1.242 42 D CA -0.644 53.365 54.000 0.015 0.000 0.863 42 D CB 0.770 41.626 40.800 0.094 0.000 1.382 42 D HN 0.412 nan 8.370 nan 0.000 0.444 43 R N -0.589 119.967 120.500 0.094 0.000 2.285 43 R HA 0.068 4.408 4.340 0.001 0.000 0.213 43 R C 1.100 177.439 176.300 0.065 0.000 1.068 43 R CA 0.756 56.921 56.100 0.108 0.000 1.004 43 R CB -0.196 30.209 30.300 0.177 0.000 0.873 43 R HN 0.402 nan 8.270 nan 0.000 0.467 44 N N -0.030 118.692 118.700 0.037 0.000 2.409 44 N HA -0.085 4.656 4.740 0.001 0.000 0.179 44 N C 1.538 177.047 175.510 -0.002 0.000 1.032 44 N CA 1.301 54.365 53.050 0.024 0.000 0.898 44 N CB 0.453 38.951 38.487 0.018 0.000 0.971 44 N HN 0.213 nan 8.380 nan 0.000 0.441 45 V N -3.015 116.879 119.914 -0.032 0.000 3.556 45 V HA 0.514 4.635 4.120 0.001 0.000 0.287 45 V C 0.822 176.848 176.094 -0.112 0.000 1.422 45 V CA -0.473 61.793 62.300 -0.056 0.000 1.038 45 V CB -0.274 31.518 31.823 -0.052 0.000 0.850 45 V HN 0.049 nan 8.190 nan 0.000 0.437 46 A N 2.374 125.085 122.820 -0.183 0.000 2.450 46 A HA 0.604 4.924 4.320 0.001 0.000 0.255 46 A C 0.751 178.126 177.584 -0.348 0.000 1.096 46 A CA 0.735 52.548 52.037 -0.373 0.000 0.778 46 A CB -0.144 18.444 19.000 -0.687 0.000 1.031 46 A HN 0.781 nan 8.150 nan 0.000 0.494 47 T N 0.398 114.785 114.554 -0.277 0.000 2.893 47 T HA 0.561 4.912 4.350 0.001 0.000 0.279 47 T C -2.050 172.581 174.700 -0.116 0.000 0.991 47 T CA -1.532 60.488 62.100 -0.133 0.000 0.950 47 T CB 0.611 69.435 68.868 -0.072 0.000 1.223 47 T HN 0.231 nan 8.240 nan 0.000 0.585 48 P HA -0.011 nan 4.420 nan 0.000 0.218 48 P C 1.676 179.075 177.300 0.166 0.000 1.148 48 P CA 0.792 64.016 63.100 0.205 0.000 0.822 48 P CB 0.042 31.835 31.700 0.156 0.000 0.784 49 R N 0.128 120.674 120.500 0.077 0.000 2.091 49 R HA -0.154 4.186 4.340 0.001 0.000 0.238 49 R C 1.532 177.979 176.300 0.245 0.000 1.136 49 R CA 1.870 58.052 56.100 0.137 0.000 0.959 49 R CB -0.614 29.689 30.300 0.005 0.000 0.856 49 R HN 0.133 nan 8.270 nan 0.000 0.437 50 D N -0.595 119.839 120.400 0.057 0.000 2.178 50 D HA -0.171 4.469 4.640 0.001 0.000 0.202 50 D C 1.680 177.957 176.300 -0.038 0.000 0.974 50 D CA 1.157 55.144 54.000 -0.023 0.000 0.841 50 D CB -0.230 40.428 40.800 -0.237 0.000 0.953 50 D HN 0.304 nan 8.370 nan 0.000 0.478 51 Y N -0.002 120.335 120.300 0.060 0.000 2.263 51 Y HA -0.170 4.381 4.550 0.001 0.000 0.292 51 Y C 2.280 178.244 175.900 0.106 0.000 1.130 51 Y CA 0.114 58.272 58.100 0.098 0.000 1.179 51 Y CB -0.995 37.612 38.460 0.246 0.000 0.998 51 Y HN 0.042 nan 8.280 nan 0.000 0.532 52 Y N -0.350 120.060 120.300 0.184 0.000 2.114 52 Y HA -0.282 4.268 4.550 0.001 0.000 0.284 52 Y C 1.996 177.851 175.900 -0.074 0.000 1.143 52 Y CA 1.218 59.330 58.100 0.021 0.000 1.135 52 Y CB -1.218 37.173 38.460 -0.115 0.000 0.980 52 Y HN 0.033 nan 8.280 nan 0.000 0.499 53 F N 0.385 120.038 119.950 -0.494 0.000 2.202 53 F HA -0.173 4.355 4.527 0.001 0.000 0.301 53 F C 2.634 178.225 175.800 -0.348 0.000 1.082 53 F CA 1.547 59.227 58.000 -0.533 0.000 1.313 53 F CB -1.022 37.831 39.000 -0.245 0.000 1.024 53 F HN 0.210 nan 8.300 nan 0.000 0.495 54 A N -0.544 122.181 122.820 -0.159 0.000 1.969 54 A HA -0.118 4.203 4.320 0.001 0.000 0.218 54 A C 2.067 179.500 177.584 -0.252 0.000 1.169 54 A CA 1.339 53.182 52.037 -0.325 0.000 0.635 54 A CB -0.878 17.615 19.000 -0.845 0.000 0.810 54 A HN 0.346 nan 8.150 nan 0.000 0.445 55 L N -0.417 120.755 121.223 -0.085 0.000 2.072 55 L HA 0.087 4.428 4.340 0.001 0.000 0.205 55 L C 2.613 179.440 176.870 -0.071 0.000 1.079 55 L CA 1.921 56.826 54.840 0.109 0.000 0.752 55 L CB -0.819 41.374 42.059 0.225 0.000 0.906 55 L HN 0.314 nan 8.230 nan 0.000 0.436 56 A N -1.028 121.590 122.820 -0.336 0.000 1.865 56 A HA -0.276 4.044 4.320 0.001 0.000 0.217 56 A C 2.292 179.516 177.584 -0.600 0.000 1.191 56 A CA 1.952 53.678 52.037 -0.518 0.000 0.623 56 A CB -1.097 17.293 19.000 -1.017 0.000 0.826 56 A HN 0.652 nan 8.150 nan 0.000 0.444 57 H N -0.474 118.255 119.070 -0.568 0.000 2.353 57 H HA -0.087 4.469 4.556 0.001 0.000 0.300 57 H C 2.366 177.314 175.328 -0.633 0.000 1.090 57 H CA 1.936 57.579 56.048 -0.675 0.000 1.327 57 H CB -0.645 28.623 29.762 -0.824 0.000 1.383 57 H HN 0.478 nan 8.280 nan 0.000 0.508 58 T N 0.559 114.941 114.554 -0.287 0.000 2.759 58 T HA -0.101 4.250 4.350 0.001 0.000 0.269 58 T C 2.359 177.159 174.700 0.168 0.000 1.042 58 T CA 1.255 63.387 62.100 0.054 0.000 1.140 58 T CB -0.322 68.676 68.868 0.217 0.000 0.864 58 T HN 0.094 nan 8.240 nan 0.000 0.455 59 V N 1.002 121.009 119.914 0.154 0.000 2.488 59 V HA -0.033 4.087 4.120 0.001 0.000 0.246 59 V C 2.597 178.848 176.094 0.261 0.000 1.046 59 V CA 1.242 63.701 62.300 0.266 0.000 1.053 59 V CB -0.539 31.445 31.823 0.267 0.000 0.679 59 V HN 0.339 nan 8.190 nan 0.000 0.458 60 R N 0.403 120.991 120.500 0.146 0.000 2.091 60 R HA -0.218 4.123 4.340 0.001 0.000 0.238 60 R C 1.966 178.310 176.300 0.073 0.000 1.136 60 R CA 2.172 58.349 56.100 0.128 0.000 0.959 60 R CB -0.403 29.793 30.300 -0.174 0.000 0.856 60 R HN 0.503 nan 8.270 nan 0.000 0.437 61 D N -0.350 120.053 120.400 0.005 0.000 2.149 61 D HA -0.184 4.457 4.640 0.001 0.000 0.198 61 D C 1.854 178.087 176.300 -0.113 0.000 0.990 61 D CA 1.202 55.171 54.000 -0.052 0.000 0.839 61 D CB -0.452 40.295 40.800 -0.089 0.000 0.948 61 D HN 0.450 nan 8.370 nan 0.000 0.460 62 H N -0.296 118.832 119.070 0.097 0.000 2.395 62 H HA -0.025 4.532 4.556 0.001 0.000 0.299 62 H C 2.185 177.567 175.328 0.090 0.000 1.070 62 H CA 0.437 56.535 56.048 0.084 0.000 1.356 62 H CB -0.197 29.608 29.762 0.071 0.000 1.401 62 H HN 0.113 nan 8.280 nan 0.000 0.524 63 L N 0.574 121.923 121.223 0.210 0.000 1.994 63 L HA -0.123 4.218 4.340 0.001 0.000 0.208 63 L C 2.455 179.437 176.870 0.187 0.000 1.071 63 L CA 1.196 56.143 54.840 0.179 0.000 0.745 63 L CB -0.853 41.324 42.059 0.196 0.000 0.892 63 L HN -0.064 nan 8.230 nan 0.000 0.431 64 V N 0.204 120.210 119.914 0.153 0.000 2.261 64 V HA -0.241 3.880 4.120 0.001 0.000 0.246 64 V C 2.643 178.872 176.094 0.224 0.000 1.047 64 V CA 1.873 64.277 62.300 0.174 0.000 1.015 64 V CB -1.616 30.249 31.823 0.069 0.000 0.642 64 V HN 0.653 nan 8.190 nan 0.000 0.446 65 G N -0.604 108.276 108.800 0.134 0.000 2.513 65 G HA2 -0.338 3.622 3.960 0.001 0.000 0.219 65 G HA3 -0.338 3.622 3.960 0.001 0.000 0.219 65 G C 1.766 176.736 174.900 0.116 0.000 1.160 65 G CA 1.195 46.361 45.100 0.111 0.000 0.767 65 G HN 0.426 nan 8.290 nan 0.000 0.571 66 R N -1.298 119.275 120.500 0.123 0.000 2.092 66 R HA -0.061 4.279 4.340 0.001 0.000 0.231 66 R C 2.238 178.588 176.300 0.083 0.000 1.119 66 R CA 1.133 57.280 56.100 0.079 0.000 0.970 66 R CB -0.355 29.991 30.300 0.076 0.000 0.864 66 R HN 0.589 nan 8.270 nan 0.000 0.440 67 W N 1.031 122.330 121.300 -0.003 0.000 2.358 67 W HA -0.141 4.520 4.660 0.001 0.000 0.303 67 W C 1.520 178.037 176.519 -0.004 0.000 1.208 67 W CA 1.333 58.674 57.345 -0.005 0.000 1.274 67 W CB -0.190 29.282 29.460 0.020 0.000 1.138 67 W HN -0.044 nan 8.180 nan 0.000 0.515 68 I N 0.560 121.220 120.570 0.150 0.000 2.163 68 I HA -0.310 3.860 4.170 0.001 0.000 0.240 68 I C 2.510 178.555 176.117 -0.121 0.000 1.081 68 I CA 1.680 62.980 61.300 -0.000 0.000 1.353 68 I CB -0.580 37.527 38.000 0.179 0.000 1.054 68 I HN -0.094 nan 8.210 nan 0.000 0.407 69 R N -0.062 120.402 120.500 -0.061 0.000 2.127 69 R HA -0.134 4.207 4.340 0.001 0.000 0.238 69 R C 2.256 178.455 176.300 -0.169 0.000 1.134 69 R CA 1.867 57.920 56.100 -0.078 0.000 0.975 69 R CB -0.622 29.648 30.300 -0.050 0.000 0.865 69 R HN 0.347 nan 8.270 nan 0.000 0.447 70 T N 0.642 115.028 114.554 -0.279 0.000 2.701 70 T HA -0.107 4.244 4.350 0.001 0.000 0.263 70 T C 1.744 176.059 174.700 -0.641 0.000 1.040 70 T CA 0.926 62.743 62.100 -0.471 0.000 1.147 70 T CB -0.067 68.519 68.868 -0.471 0.000 0.865 70 T HN 0.175 nan 8.240 nan 0.000 0.426 71 Q N 1.083 120.530 119.800 -0.588 0.000 2.167 71 Q HA -0.043 4.298 4.340 0.001 0.000 0.202 71 Q C 2.333 178.298 176.000 -0.059 0.000 0.970 71 Q CA 1.194 56.742 55.803 -0.426 0.000 0.855 71 Q CB -0.302 28.005 28.738 -0.720 0.000 0.911 71 Q HN 0.668 nan 8.270 nan 0.000 0.438 72 Q N -0.721 119.047 119.800 -0.052 0.000 2.224 72 Q HA -0.131 4.210 4.340 0.001 0.000 0.203 72 Q C 2.002 178.106 176.000 0.174 0.000 0.970 72 Q CA 0.795 56.705 55.803 0.178 0.000 0.865 72 Q CB -0.173 28.679 28.738 0.191 0.000 0.922 72 Q HN 0.529 nan 8.270 nan 0.000 0.445 73 H N -0.409 118.590 119.070 -0.119 0.000 2.395 73 H HA -0.123 4.434 4.556 0.001 0.000 0.299 73 H C 1.218 176.525 175.328 -0.034 0.000 1.070 73 H CA 1.112 57.058 56.048 -0.170 0.000 1.356 73 H CB 0.301 29.901 29.762 -0.269 0.000 1.401 73 H HN 0.257 nan 8.280 nan 0.000 0.524 74 Y N -0.127 120.114 120.300 -0.099 0.000 2.293 74 Y HA -0.181 4.370 4.550 0.001 0.000 0.291 74 Y C 2.100 177.880 175.900 -0.200 0.000 1.137 74 Y CA 0.559 58.543 58.100 -0.194 0.000 1.202 74 Y CB -1.003 37.381 38.460 -0.127 0.000 0.990 74 Y HN 0.283 nan 8.280 nan 0.000 0.537 75 Y N -0.042 120.300 120.300 0.069 0.000 2.457 75 Y HA -0.096 4.454 4.550 0.001 0.000 0.292 75 Y C 2.190 178.054 175.900 -0.060 0.000 1.125 75 Y CA 0.858 59.017 58.100 0.099 0.000 1.254 75 Y CB -0.210 38.424 38.460 0.290 0.000 1.012 75 Y HN 0.185 nan 8.280 nan 0.000 0.555 76 E N -0.125 119.919 120.200 -0.260 0.000 2.046 76 E HA -0.184 4.167 4.350 0.001 0.000 0.190 76 E C 1.864 178.275 176.600 -0.315 0.000 0.982 76 E CA 1.065 57.136 56.400 -0.549 0.000 0.800 76 E CB -0.003 29.269 29.700 -0.712 0.000 0.756 76 E HN 0.182 nan 8.360 nan 0.000 0.449 77 K N 0.537 120.729 120.400 -0.347 0.000 2.116 77 K HA -0.075 4.246 4.320 0.001 0.000 0.203 77 K C 0.040 176.546 176.600 -0.156 0.000 1.052 77 K CA 0.749 56.885 56.287 -0.251 0.000 0.952 77 K CB 0.077 32.390 32.500 -0.313 0.000 0.729 77 K HN -0.043 nan 8.250 nan 0.000 0.446 78 D N -0.193 120.115 120.400 -0.152 0.000 2.778 78 D HA -0.109 4.532 4.640 0.001 0.000 0.246 78 D C -2.328 173.888 176.300 -0.140 0.000 1.107 78 D CA 0.176 54.090 54.000 -0.144 0.000 0.732 78 D CB -0.461 40.272 40.800 -0.110 0.000 1.055 78 D HN 0.146 nan 8.370 nan 0.000 0.429 79 P HA 0.027 nan 4.420 nan 0.000 0.280 79 P C -0.060 177.145 177.300 -0.159 0.000 1.278 79 P CA -0.251 62.746 63.100 -0.171 0.000 0.787 79 P CB 0.523 32.063 31.700 -0.267 0.000 1.163 80 K N 0.557 120.872 120.400 -0.141 0.000 2.227 80 K HA 0.229 4.549 4.320 0.001 0.000 0.280 80 K C -0.052 176.438 176.600 -0.182 0.000 1.041 80 K CA -0.469 55.746 56.287 -0.120 0.000 0.905 80 K CB 0.496 32.953 32.500 -0.072 0.000 1.068 80 K HN 0.253 nan 8.250 nan 0.000 0.470 81 R N 4.387 124.784 120.500 -0.171 0.000 2.254 81 R HA 0.311 4.651 4.340 0.001 0.000 0.318 81 R C -0.509 175.577 176.300 -0.357 0.000 1.031 81 R CA -0.549 55.404 56.100 -0.245 0.000 0.905 81 R CB 0.723 30.953 30.300 -0.118 0.000 1.050 81 R HN 0.524 nan 8.270 nan 0.000 0.456 82 I N 3.747 124.033 120.570 -0.472 0.000 2.315 82 I HA 0.173 4.343 4.170 0.001 0.000 0.291 82 I C -0.659 175.165 176.117 -0.488 0.000 1.006 82 I CA -0.463 60.516 61.300 -0.534 0.000 1.265 82 I CB 0.616 38.146 38.000 -0.783 0.000 1.387 82 I HN 0.425 nan 8.210 nan 0.000 0.475 83 Y N 6.135 126.417 120.300 -0.029 0.000 2.417 83 Y HA 0.266 4.816 4.550 0.001 0.000 0.336 83 Y C -0.405 175.608 175.900 0.187 0.000 0.961 83 Y CA -0.651 57.545 58.100 0.160 0.000 1.215 83 Y CB 0.595 39.079 38.460 0.040 0.000 1.120 83 Y HN 0.424 nan 8.280 nan 0.000 0.499 84 Y N 4.627 125.091 120.300 0.273 0.000 2.504 84 Y HA 0.402 4.952 4.550 0.001 0.000 0.351 84 Y C -1.096 175.063 175.900 0.432 0.000 0.988 84 Y CA -0.784 57.495 58.100 0.298 0.000 1.239 84 Y CB 0.185 38.821 38.460 0.293 0.000 1.128 84 Y HN 0.499 nan 8.280 nan 0.000 0.525 85 L N 5.556 126.866 121.223 0.146 0.000 2.260 85 L HA 0.369 4.709 4.340 0.001 0.000 0.289 85 L C -0.075 176.841 176.870 0.076 0.000 1.057 85 L CA 0.239 55.218 54.840 0.232 0.000 0.811 85 L CB 1.127 43.281 42.059 0.158 0.000 1.184 85 L HN 0.561 nan 8.230 nan 0.000 0.429 86 S N 2.486 118.301 115.700 0.192 0.000 2.542 86 S HA 0.524 4.995 4.470 0.001 0.000 0.293 86 S C 0.181 174.835 174.600 0.089 0.000 1.089 86 S CA -0.526 57.660 58.200 -0.024 0.000 0.961 86 S CB 1.164 64.135 63.200 -0.381 0.000 1.062 86 S HN 0.501 nan 8.310 nan 0.000 0.483 87 L N 3.338 124.589 121.223 0.047 0.000 2.629 87 L HA 0.446 4.786 4.340 0.001 0.000 0.230 87 L C -0.030 176.944 176.870 0.172 0.000 1.151 87 L CA 0.487 55.410 54.840 0.138 0.000 0.924 87 L CB -0.653 41.438 42.059 0.054 0.000 1.137 87 L HN 0.816 nan 8.230 nan 0.000 0.457 88 E N -2.251 117.959 120.200 0.016 0.000 2.363 88 E HA 0.404 4.755 4.350 0.001 0.000 0.281 88 E C -1.385 175.096 176.600 -0.198 0.000 0.953 88 E CA -0.658 55.766 56.400 0.040 0.000 0.778 88 E CB 0.916 30.563 29.700 -0.089 0.000 1.220 88 E HN -0.123 nan 8.360 nan 0.000 0.431 89 F N 2.089 122.118 119.950 0.130 0.000 2.539 89 F HA 0.286 4.814 4.527 0.001 0.000 0.328 89 F C -1.190 174.685 175.800 0.126 0.000 1.148 89 F CA -0.855 57.219 58.000 0.125 0.000 0.940 89 F CB 1.660 40.732 39.000 0.120 0.000 1.194 89 F HN 0.521 nan 8.300 nan 0.000 0.438 90 Y N 5.402 125.742 120.300 0.067 0.000 2.931 90 Y HA 0.273 4.823 4.550 0.001 0.000 0.330 90 Y C 0.835 176.736 175.900 0.002 0.000 1.115 90 Y CA -1.360 56.731 58.100 -0.015 0.000 1.283 90 Y CB 0.421 38.851 38.460 -0.050 0.000 1.215 90 Y HN 0.565 nan 8.280 nan 0.000 0.534 91 M N 1.303 120.963 119.600 0.101 0.000 2.175 91 M HA 0.072 4.552 4.480 0.001 0.000 0.264 91 M C 1.596 177.837 176.300 -0.098 0.000 1.063 91 M CA 1.366 56.669 55.300 0.006 0.000 1.119 91 M CB -1.298 31.292 32.600 -0.017 0.000 1.377 91 M HN 0.713 nan 8.290 nan 0.000 0.415 92 G N 0.536 109.248 108.800 -0.147 0.000 2.488 92 G HA2 -0.207 3.753 3.960 0.001 0.000 0.237 92 G HA3 -0.207 3.753 3.960 0.001 0.000 0.237 92 G C -0.320 174.487 174.900 -0.155 0.000 1.209 92 G CA -0.527 44.457 45.100 -0.194 0.000 0.929 92 G HN 0.377 nan 8.290 nan 0.000 0.578 93 R N -0.026 120.375 120.500 -0.166 0.000 2.407 93 R HA 0.592 4.932 4.340 0.001 0.000 0.303 93 R C 0.737 176.920 176.300 -0.195 0.000 0.981 93 R CA 0.044 56.066 56.100 -0.130 0.000 0.905 93 R CB 1.410 31.641 30.300 -0.116 0.000 1.099 93 R HN 0.542 nan 8.270 nan 0.000 0.459 94 T N 1.833 116.229 114.554 -0.264 0.000 3.044 94 T HA -0.043 4.308 4.350 0.001 0.000 0.255 94 T C 1.710 176.101 174.700 -0.515 0.000 1.073 94 T CA 0.161 61.928 62.100 -0.555 0.000 1.125 94 T CB 0.087 68.256 68.868 -1.165 0.000 0.908 94 T HN 0.320 nan 8.240 nan 0.000 0.480 95 L N 1.663 122.786 121.223 -0.167 0.000 1.956 95 L HA -0.123 4.218 4.340 0.001 0.000 0.216 95 L C 2.576 179.423 176.870 -0.038 0.000 1.073 95 L CA 1.944 56.814 54.840 0.050 0.000 0.762 95 L CB -0.576 41.670 42.059 0.312 0.000 0.889 95 L HN 0.175 nan 8.230 nan 0.000 0.433 96 Q N -1.001 118.770 119.800 -0.049 0.000 2.167 96 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 96 Q C 2.064 178.007 176.000 -0.096 0.000 0.970 96 Q CA 1.788 57.556 55.803 -0.058 0.000 0.855 96 Q CB -0.116 28.581 28.738 -0.067 0.000 0.911 96 Q HN 0.660 nan 8.270 nan 0.000 0.438 97 N N -0.709 117.901 118.700 -0.150 0.000 2.084 97 N HA -0.129 4.611 4.740 0.001 0.000 0.190 97 N C 1.511 176.939 175.510 -0.136 0.000 1.030 97 N CA 2.242 55.198 53.050 -0.157 0.000 0.849 97 N CB -0.122 38.242 38.487 -0.206 0.000 1.012 97 N HN 0.123 nan 8.380 nan 0.000 0.423 98 T N 0.340 114.782 114.554 -0.187 0.000 2.746 98 T HA -0.116 4.235 4.350 0.001 0.000 0.267 98 T C 1.932 176.595 174.700 -0.062 0.000 1.039 98 T CA 1.244 63.257 62.100 -0.145 0.000 1.142 98 T CB -0.206 68.536 68.868 -0.210 0.000 0.866 98 T HN 0.255 nan 8.240 nan 0.000 0.444 99 M N 0.442 120.018 119.600 -0.040 0.000 2.086 99 M HA -0.085 4.395 4.480 0.001 0.000 0.261 99 M C 2.487 178.764 176.300 -0.039 0.000 1.067 99 M CA 1.290 56.578 55.300 -0.020 0.000 1.116 99 M CB -0.517 32.082 32.600 -0.002 0.000 1.348 99 M HN 0.105 nan 8.290 nan 0.000 0.407 100 V N 0.760 120.654 119.914 -0.034 0.000 2.261 100 V HA -0.270 3.850 4.120 0.001 0.000 0.246 100 V C 1.803 177.877 176.094 -0.034 0.000 1.047 100 V CA 1.915 64.211 62.300 -0.007 0.000 1.015 100 V CB -0.830 31.005 31.823 0.020 0.000 0.642 100 V HN 0.462 nan 8.190 nan 0.000 0.446 101 N N -0.410 118.271 118.700 -0.032 0.000 2.381 101 N HA -0.073 4.667 4.740 0.001 0.000 0.182 101 N C 1.244 176.646 175.510 -0.181 0.000 1.025 101 N CA 0.848 53.850 53.050 -0.080 0.000 0.888 101 N CB -0.177 38.305 38.487 -0.008 0.000 0.965 101 N HN 0.298 nan 8.380 nan 0.000 0.438 102 L N -0.376 120.775 121.223 -0.121 0.000 2.554 102 L HA 0.356 4.696 4.340 0.001 0.000 0.225 102 L C 0.593 177.384 176.870 -0.133 0.000 1.104 102 L CA 0.208 54.983 54.840 -0.109 0.000 0.866 102 L CB -0.273 41.759 42.059 -0.045 0.000 1.047 102 L HN 0.151 nan 8.230 nan 0.000 0.468 103 A N -1.056 121.680 122.820 -0.141 0.000 2.996 103 A HA -0.209 4.112 4.320 0.001 0.000 0.257 103 A C 1.163 178.693 177.584 -0.091 0.000 1.394 103 A CA 1.096 53.060 52.037 -0.122 0.000 0.820 103 A CB -2.122 16.793 19.000 -0.141 0.000 1.054 103 A HN 0.303 nan 8.150 nan 0.000 0.619 104 L N -1.339 119.835 121.223 -0.081 0.000 2.556 104 L HA 0.108 4.448 4.340 0.001 0.000 0.226 104 L C 2.038 178.883 176.870 -0.041 0.000 1.089 104 L CA 0.857 55.652 54.840 -0.075 0.000 0.864 104 L CB -0.130 41.876 42.059 -0.088 0.000 1.067 104 L HN 0.666 nan 8.230 nan 0.000 0.477 105 E N 1.602 121.785 120.200 -0.028 0.000 2.136 105 E HA -0.296 4.055 4.350 0.001 0.000 0.202 105 E C 1.632 178.226 176.600 -0.010 0.000 1.019 105 E CA 2.327 58.718 56.400 -0.015 0.000 0.819 105 E CB 0.020 29.715 29.700 -0.009 0.000 0.739 105 E HN 0.573 nan 8.360 nan 0.000 0.458 106 N N -0.184 118.512 118.700 -0.006 0.000 2.142 106 N HA -0.128 4.613 4.740 0.001 0.000 0.186 106 N C 1.894 177.407 175.510 0.005 0.000 1.023 106 N CA 0.949 54.004 53.050 0.008 0.000 0.852 106 N CB -0.225 38.268 38.487 0.010 0.000 0.998 106 N HN 0.211 nan 8.380 nan 0.000 0.424 107 A N 0.791 123.604 122.820 -0.010 0.000 1.877 107 A HA -0.165 4.156 4.320 0.001 0.000 0.216 107 A C 2.406 179.982 177.584 -0.012 0.000 1.186 107 A CA 1.156 53.186 52.037 -0.012 0.000 0.620 107 A CB -1.084 17.898 19.000 -0.030 0.000 0.822 107 A HN 0.478 nan 8.150 nan 0.000 0.443 108 C N -0.909 118.381 119.300 -0.017 0.000 2.425 108 C HA -0.076 4.385 4.460 0.001 0.000 0.277 108 C C 2.425 177.378 174.990 -0.061 0.000 1.280 108 C CA 1.310 60.316 59.018 -0.021 0.000 1.744 108 C CB -1.165 26.576 27.740 0.000 0.000 1.989 108 C HN 0.698 nan 8.230 nan 0.000 0.491 109 D N 0.217 120.581 120.400 -0.060 0.000 2.224 109 D HA -0.085 4.556 4.640 0.001 0.000 0.205 109 D C 2.142 178.398 176.300 -0.073 0.000 0.965 109 D CA 0.924 54.842 54.000 -0.137 0.000 0.852 109 D CB -0.160 40.606 40.800 -0.056 0.000 0.947 109 D HN 0.406 nan 8.370 nan 0.000 0.494 110 E N 0.356 120.581 120.200 0.042 0.000 2.028 110 E HA -0.025 4.325 4.350 0.001 0.000 0.191 110 E C 1.918 178.538 176.600 0.033 0.000 0.988 110 E CA 1.479 57.940 56.400 0.102 0.000 0.799 110 E CB -0.623 29.115 29.700 0.063 0.000 0.755 110 E HN 0.161 nan 8.360 nan 0.000 0.447 111 A N -0.196 122.609 122.820 -0.026 0.000 1.884 111 A HA -0.266 4.055 4.320 0.001 0.000 0.219 111 A C 2.502 179.986 177.584 -0.167 0.000 1.197 111 A CA 2.748 54.741 52.037 -0.074 0.000 0.637 111 A CB -1.404 17.556 19.000 -0.067 0.000 0.827 111 A HN 0.414 nan 8.150 nan 0.000 0.450 112 T N -1.392 113.026 114.554 -0.227 0.000 2.759 112 T HA -0.157 4.194 4.350 0.001 0.000 0.269 112 T C 1.753 176.280 174.700 -0.289 0.000 1.042 112 T CA 1.746 63.643 62.100 -0.339 0.000 1.140 112 T CB -0.433 68.233 68.868 -0.337 0.000 0.864 112 T HN 0.500 nan 8.240 nan 0.000 0.455 113 Y N 1.903 122.136 120.300 -0.112 0.000 2.145 113 Y HA -0.090 4.460 4.550 0.001 0.000 0.286 113 Y C 2.723 178.564 175.900 -0.099 0.000 1.145 113 Y CA 0.684 58.731 58.100 -0.089 0.000 1.148 113 Y CB -0.666 37.760 38.460 -0.057 0.000 0.981 113 Y HN 0.311 nan 8.280 nan 0.000 0.507 114 Q N -0.516 119.324 119.800 0.067 0.000 2.224 114 Q HA -0.116 4.224 4.340 0.001 0.000 0.203 114 Q C 1.625 177.591 176.000 -0.057 0.000 0.970 114 Q CA 1.009 56.816 55.803 0.005 0.000 0.865 114 Q CB -0.221 28.513 28.738 -0.007 0.000 0.922 114 Q HN 0.459 nan 8.270 nan 0.000 0.445 115 L N -0.359 120.777 121.223 -0.144 0.000 2.627 115 L HA 0.156 4.496 4.340 0.001 0.000 0.232 115 L C 0.817 177.571 176.870 -0.193 0.000 1.150 115 L CA 0.188 54.901 54.840 -0.210 0.000 0.917 115 L CB 0.035 41.835 42.059 -0.431 0.000 1.104 115 L HN 0.345 nan 8.230 nan 0.000 0.445 116 G N 0.230 108.963 108.800 -0.113 0.000 2.149 116 G HA2 -0.242 3.718 3.960 0.001 0.000 0.235 116 G HA3 -0.242 3.718 3.960 0.001 0.000 0.235 116 G C -0.087 174.747 174.900 -0.109 0.000 1.018 116 G CA 0.042 45.097 45.100 -0.074 0.000 0.728 116 G HN 0.254 nan 8.290 nan 0.000 0.508 117 L N -0.787 120.343 121.223 -0.155 0.000 2.257 117 L HA 0.714 5.054 4.340 0.001 0.000 0.257 117 L C -0.613 176.167 176.870 -0.151 0.000 1.033 117 L CA -1.090 53.641 54.840 -0.182 0.000 0.835 117 L CB 1.948 43.819 42.059 -0.312 0.000 1.398 117 L HN 0.129 nan 8.230 nan 0.000 0.429 118 D N 0.969 121.294 120.400 -0.124 0.000 2.440 118 D HA 0.182 4.823 4.640 0.001 0.000 0.252 118 D C 0.528 176.742 176.300 -0.144 0.000 1.180 118 D CA -0.369 53.547 54.000 -0.139 0.000 0.894 118 D CB 1.781 42.582 40.800 0.001 0.000 1.111 118 D HN 0.542 nan 8.370 nan 0.000 0.544 119 M N 3.055 122.509 119.600 -0.243 0.000 2.106 119 M HA -0.167 4.314 4.480 0.001 0.000 0.259 119 M C 1.722 177.993 176.300 -0.048 0.000 1.068 119 M CA 1.580 56.805 55.300 -0.125 0.000 1.100 119 M CB 0.104 32.610 32.600 -0.156 0.000 1.351 119 M HN 0.380 nan 8.290 nan 0.000 0.404 120 E N 0.064 120.234 120.200 -0.050 0.000 2.153 120 E HA -0.273 4.077 4.350 0.001 0.000 0.194 120 E C 1.749 178.353 176.600 0.006 0.000 0.988 120 E CA 1.570 57.966 56.400 -0.007 0.000 0.811 120 E CB -0.115 29.593 29.700 0.014 0.000 0.746 120 E HN 0.709 nan 8.360 nan 0.000 0.466 121 E N -0.360 119.845 120.200 0.008 0.000 2.107 121 E HA -0.150 4.200 4.350 0.001 0.000 0.191 121 E C 2.055 178.664 176.600 0.014 0.000 0.982 121 E CA 0.419 56.831 56.400 0.019 0.000 0.809 121 E CB 0.131 29.847 29.700 0.027 0.000 0.756 121 E HN 0.114 nan 8.360 nan 0.000 0.459 122 L N 1.169 122.410 121.223 0.029 0.000 2.179 122 L HA -0.059 4.282 4.340 0.001 0.000 0.208 122 L C 1.881 178.745 176.870 -0.010 0.000 1.096 122 L CA 1.511 56.395 54.840 0.074 0.000 0.779 122 L CB -0.306 41.844 42.059 0.151 0.000 0.922 122 L HN 0.113 nan 8.230 nan 0.000 0.443 123 E N -0.564 119.627 120.200 -0.015 0.000 2.085 123 E HA -0.209 4.141 4.350 0.001 0.000 0.194 123 E C 1.626 178.129 176.600 -0.162 0.000 0.994 123 E CA 1.055 57.416 56.400 -0.066 0.000 0.801 123 E CB -0.022 29.663 29.700 -0.025 0.000 0.743 123 E HN 0.407 nan 8.360 nan 0.000 0.453 124 E N 0.383 120.521 120.200 -0.102 0.000 2.515 124 E HA -0.118 4.233 4.350 0.001 0.000 0.201 124 E C 1.729 178.243 176.600 -0.144 0.000 1.071 124 E CA 0.399 56.748 56.400 -0.085 0.000 0.880 124 E CB 0.143 29.836 29.700 -0.012 0.000 0.828 124 E HN 0.358 nan 8.360 nan 0.000 0.540 125 I N 0.507 120.912 120.570 -0.276 0.000 2.584 125 I HA -0.067 4.103 4.170 0.001 0.000 0.255 125 I C 1.320 177.165 176.117 -0.454 0.000 1.145 125 I CA 0.303 61.408 61.300 -0.324 0.000 1.462 125 I CB -0.563 37.224 38.000 -0.356 0.000 1.102 125 I HN 0.085 nan 8.210 nan 0.000 0.433 126 E N 3.102 122.894 120.200 -0.679 0.000 2.415 126 E HA -0.047 4.303 4.350 0.001 0.000 0.263 126 E C -0.114 176.398 176.600 -0.146 0.000 0.995 126 E CA -0.118 55.976 56.400 -0.510 0.000 0.915 126 E CB 0.704 30.169 29.700 -0.390 0.000 0.951 126 E HN 0.157 nan 8.360 nan 0.000 0.449 127 E N 3.307 123.512 120.200 0.009 0.000 2.373 127 E HA 0.035 4.385 4.350 0.001 0.000 0.263 127 E C -0.520 176.143 176.600 0.106 0.000 1.073 127 E CA -0.314 56.157 56.400 0.118 0.000 0.894 127 E CB 0.534 30.394 29.700 0.268 0.000 1.008 127 E HN 0.574 nan 8.360 nan 0.000 0.420 128 D N -0.872 119.559 120.400 0.052 0.000 2.390 128 D HA 0.239 4.879 4.640 0.001 0.000 0.249 128 D C -0.470 175.725 176.300 -0.175 0.000 1.144 128 D CA -0.527 53.441 54.000 -0.054 0.000 0.880 128 D CB 0.656 41.411 40.800 -0.076 0.000 1.182 128 D HN 0.384 nan 8.370 nan 0.000 0.451 129 A N 3.358 126.019 122.820 -0.265 0.000 2.639 129 A HA 0.434 4.755 4.320 0.001 0.000 0.295 129 A C 1.124 178.229 177.584 -0.797 0.000 1.443 129 A CA -0.284 51.350 52.037 -0.672 0.000 1.117 129 A CB -0.752 18.061 19.000 -0.310 0.000 1.098 129 A HN 0.753 nan 8.150 nan 0.000 0.552 130 G N 1.909 109.900 108.800 -1.349 0.000 2.924 130 G HA2 0.381 4.341 3.960 0.001 0.000 0.273 130 G HA3 0.381 4.341 3.960 0.001 0.000 0.273 130 G C 0.327 174.894 174.900 -0.555 0.000 0.734 130 G CA -0.074 44.521 45.100 -0.842 0.000 2.065 130 G HN 0.727 nan 8.290 nan 0.000 0.580 131 L N 0.560 121.635 121.223 -0.245 0.000 3.086 131 L HA 0.392 4.733 4.340 0.001 0.000 0.274 131 L C 1.308 178.252 176.870 0.124 0.000 1.184 131 L CA -0.030 54.879 54.840 0.115 0.000 1.002 131 L CB 0.723 42.891 42.059 0.182 0.000 1.383 131 L HN 0.422 nan 8.230 nan 0.000 0.582 132 G N -0.578 108.194 108.800 -0.047 0.000 3.176 132 G HA2 0.374 4.335 3.960 0.001 0.000 0.272 132 G HA3 0.374 4.335 3.960 0.001 0.000 0.272 132 G C -0.343 174.087 174.900 -0.783 0.000 1.349 132 G CA 0.103 45.038 45.100 -0.274 0.000 0.953 132 G HN -0.004 nan 8.290 nan 0.000 0.559 133 N N -3.345 114.507 118.700 -1.414 0.000 1.976 133 N HA 0.272 5.013 4.740 0.001 0.000 0.273 133 N C 0.410 175.288 175.510 -1.053 0.000 1.228 133 N CA 1.220 53.566 53.050 -1.173 0.000 0.762 133 N CB 0.516 38.682 38.487 -0.535 0.000 1.535 133 N HN 1.076 nan 8.380 nan 0.000 0.577 134 G N -1.494 106.841 108.800 -0.775 0.000 2.570 134 G HA2 0.385 4.345 3.960 0.001 0.000 0.310 134 G HA3 0.385 4.345 3.960 0.001 0.000 0.310 134 G C 0.468 175.350 174.900 -0.030 0.000 1.266 134 G CA -0.114 44.879 45.100 -0.177 0.000 0.825 134 G HN 0.179 nan 8.290 nan 0.000 0.483 135 G N -0.446 108.351 108.800 -0.005 0.000 2.499 135 G HA2 -0.121 3.839 3.960 0.001 0.000 0.221 135 G HA3 -0.121 3.839 3.960 0.001 0.000 0.221 135 G C 1.603 176.446 174.900 -0.094 0.000 1.109 135 G CA 1.320 46.407 45.100 -0.022 0.000 0.749 135 G HN 0.438 nan 8.290 nan 0.000 0.568 136 L N -0.033 121.097 121.223 -0.154 0.000 2.127 136 L HA 0.216 4.557 4.340 0.001 0.000 0.203 136 L C 2.914 179.664 176.870 -0.199 0.000 1.080 136 L CA 1.128 55.824 54.840 -0.241 0.000 0.768 136 L CB -0.266 41.632 42.059 -0.268 0.000 0.924 136 L HN 0.255 nan 8.230 nan 0.000 0.444 137 G N -0.946 107.753 108.800 -0.169 0.000 2.421 137 G HA2 -0.192 3.769 3.960 0.001 0.000 0.217 137 G HA3 -0.192 3.769 3.960 0.001 0.000 0.217 137 G C 1.677 176.597 174.900 0.033 0.000 1.143 137 G CA -0.008 45.016 45.100 -0.127 0.000 0.784 137 G HN 0.081 nan 8.290 nan 0.000 0.541 138 R N -0.168 120.411 120.500 0.132 0.000 2.066 138 R HA 0.068 4.408 4.340 0.001 0.000 0.232 138 R C 2.514 178.802 176.300 -0.021 0.000 1.131 138 R CA 0.828 57.016 56.100 0.146 0.000 0.955 138 R CB -0.995 29.409 30.300 0.173 0.000 0.851 138 R HN 0.402 nan 8.270 nan 0.000 0.432 139 L N 0.845 121.984 121.223 -0.140 0.000 2.079 139 L HA -0.108 4.233 4.340 0.001 0.000 0.210 139 L C 2.227 178.798 176.870 -0.499 0.000 1.081 139 L CA 2.045 56.666 54.840 -0.365 0.000 0.752 139 L CB -0.653 41.163 42.059 -0.407 0.000 0.896 139 L HN 0.177 nan 8.230 nan 0.000 0.433 140 A N -0.689 121.971 122.820 -0.267 0.000 1.877 140 A HA -0.139 4.182 4.320 0.001 0.000 0.216 140 A C 2.438 179.995 177.584 -0.046 0.000 1.186 140 A CA 1.819 53.732 52.037 -0.206 0.000 0.620 140 A CB -1.125 17.683 19.000 -0.319 0.000 0.822 140 A HN 0.532 nan 8.150 nan 0.000 0.443 141 A N -1.333 121.523 122.820 0.060 0.000 1.930 141 A HA -0.128 4.193 4.320 0.001 0.000 0.217 141 A C 2.280 179.933 177.584 0.116 0.000 1.175 141 A CA 1.587 53.712 52.037 0.148 0.000 0.627 141 A CB -1.156 17.932 19.000 0.146 0.000 0.815 141 A HN 0.585 nan 8.150 nan 0.000 0.443 142 C N -1.536 117.830 119.300 0.110 0.000 2.440 142 C HA -0.022 4.439 4.460 0.001 0.000 0.278 142 C C 2.388 177.552 174.990 0.291 0.000 1.295 142 C CA 0.524 59.659 59.018 0.195 0.000 1.738 142 C CB -1.530 26.340 27.740 0.217 0.000 1.987 142 C HN 0.624 nan 8.230 nan 0.000 0.492 143 F N 0.597 120.533 119.950 -0.023 0.000 2.171 143 F HA -0.080 4.448 4.527 0.001 0.000 0.300 143 F C 2.079 177.817 175.800 -0.102 0.000 1.090 143 F CA 1.075 59.016 58.000 -0.099 0.000 1.293 143 F CB -1.370 37.452 39.000 -0.297 0.000 1.013 143 F HN 0.112 nan 8.300 nan 0.000 0.486 144 L N 0.149 121.432 121.223 0.100 0.000 2.046 144 L HA -0.212 4.128 4.340 0.001 0.000 0.208 144 L C 2.254 179.155 176.870 0.051 0.000 1.077 144 L CA 1.812 56.682 54.840 0.050 0.000 0.747 144 L CB -1.059 41.046 42.059 0.076 0.000 0.896 144 L HN 0.031 nan 8.230 nan 0.000 0.432 145 D N -1.068 119.375 120.400 0.071 0.000 2.092 145 D HA -0.175 4.465 4.640 0.001 0.000 0.193 145 D C 2.192 178.530 176.300 0.064 0.000 0.994 145 D CA 1.715 55.750 54.000 0.058 0.000 0.828 145 D CB 0.061 40.897 40.800 0.060 0.000 0.963 145 D HN 0.210 nan 8.370 nan 0.000 0.450 146 S N -0.597 115.152 115.700 0.082 0.000 2.382 146 S HA -0.123 4.347 4.470 0.001 0.000 0.228 146 S C 2.118 176.742 174.600 0.040 0.000 1.027 146 S CA 1.072 59.307 58.200 0.059 0.000 0.991 146 S CB -0.240 62.995 63.200 0.058 0.000 0.823 146 S HN 0.366 nan 8.310 nan 0.000 0.469 147 M N 0.854 120.474 119.600 0.033 0.000 2.229 147 M HA -0.065 4.416 4.480 0.001 0.000 0.264 147 M C 2.410 178.724 176.300 0.023 0.000 1.063 147 M CA 1.282 56.600 55.300 0.030 0.000 1.114 147 M CB -0.471 32.131 32.600 0.003 0.000 1.387 147 M HN 0.402 nan 8.290 nan 0.000 0.420 148 A N -0.156 122.680 122.820 0.025 0.000 1.898 148 A HA -0.087 4.233 4.320 0.001 0.000 0.214 148 A C 2.170 179.782 177.584 0.047 0.000 1.183 148 A CA 1.804 53.861 52.037 0.033 0.000 0.622 148 A CB -0.964 18.053 19.000 0.030 0.000 0.824 148 A HN 0.394 nan 8.150 nan 0.000 0.444 149 T N 0.293 114.881 114.554 0.057 0.000 2.746 149 T HA -0.087 4.263 4.350 0.001 0.000 0.267 149 T C 1.265 175.999 174.700 0.056 0.000 1.039 149 T CA 1.245 63.387 62.100 0.070 0.000 1.142 149 T CB -0.231 68.684 68.868 0.077 0.000 0.866 149 T HN 0.162 nan 8.240 nan 0.000 0.444 150 L N 0.864 122.116 121.223 0.049 0.000 2.645 150 L HA 0.336 4.677 4.340 0.001 0.000 0.235 150 L C 1.653 178.554 176.870 0.050 0.000 1.150 150 L CA 0.236 55.104 54.840 0.047 0.000 0.911 150 L CB -1.347 40.740 42.059 0.046 0.000 1.077 150 L HN 0.465 nan 8.230 nan 0.000 0.438 151 G N 0.282 109.115 108.800 0.055 0.000 2.314 151 G HA2 -0.266 3.695 3.960 0.001 0.000 0.292 151 G HA3 -0.266 3.695 3.960 0.001 0.000 0.292 151 G C 0.073 175.008 174.900 0.059 0.000 1.059 151 G CA 0.128 45.273 45.100 0.074 0.000 0.982 151 G HN 0.278 nan 8.290 nan 0.000 0.505 152 L N -0.327 120.905 121.223 0.015 0.000 2.334 152 L HA 0.688 5.028 4.340 0.001 0.000 0.276 152 L C 1.004 177.738 176.870 -0.228 0.000 1.014 152 L CA -0.759 54.037 54.840 -0.073 0.000 0.815 152 L CB 2.027 44.071 42.059 -0.025 0.000 1.268 152 L HN 0.317 nan 8.230 nan 0.000 0.428 153 A N 2.907 125.436 122.820 -0.484 0.000 2.906 153 A HA 0.563 4.884 4.320 0.001 0.000 0.289 153 A C 0.280 177.514 177.584 -0.584 0.000 1.675 153 A CA -0.071 51.434 52.037 -0.887 0.000 1.372 153 A CB -0.595 17.747 19.000 -1.097 0.000 1.091 153 A HN 0.711 nan 8.150 nan 0.000 0.579 154 A N 1.640 124.152 122.820 -0.512 0.000 2.356 154 A HA 0.838 5.159 4.320 0.001 0.000 0.323 154 A C -1.141 176.092 177.584 -0.586 0.000 1.119 154 A CA -0.484 51.290 52.037 -0.438 0.000 0.790 154 A CB 0.919 19.761 19.000 -0.264 0.000 1.273 154 A HN 0.606 nan 8.150 nan 0.000 0.452 155 Y N -0.283 119.920 120.300 -0.162 0.000 2.406 155 Y HA 0.551 5.102 4.550 0.001 0.000 0.340 155 Y C 0.741 176.741 175.900 0.166 0.000 0.975 155 Y CA -0.464 57.641 58.100 0.008 0.000 1.056 155 Y CB 2.500 41.077 38.460 0.194 0.000 1.210 155 Y HN 0.848 nan 8.280 nan 0.000 0.448 156 G N 2.244 111.141 108.800 0.162 0.000 2.335 156 G HA2 0.473 4.434 3.960 0.001 0.000 0.316 156 G HA3 0.473 4.434 3.960 0.001 0.000 0.316 156 G C -1.805 173.118 174.900 0.038 0.000 1.129 156 G CA -0.295 44.935 45.100 0.217 0.000 0.899 156 G HN 0.494 nan 8.290 nan 0.000 0.448 157 Y N 1.008 121.532 120.300 0.375 0.000 2.393 157 Y HA 0.672 5.222 4.550 0.001 0.000 0.341 157 Y C 0.776 176.956 175.900 0.467 0.000 0.988 157 Y CA 0.319 58.612 58.100 0.323 0.000 1.078 157 Y CB 2.751 41.452 38.460 0.402 0.000 1.203 157 Y HN 0.883 nan 8.280 nan 0.000 0.453 158 G N 2.230 111.336 108.800 0.511 0.000 2.561 158 G HA2 0.469 4.430 3.960 0.001 0.000 0.310 158 G HA3 0.469 4.430 3.960 0.001 0.000 0.310 158 G C -1.867 173.273 174.900 0.399 0.000 1.292 158 G CA -0.835 44.596 45.100 0.552 0.000 0.811 158 G HN 0.480 nan 8.290 nan 0.000 0.482 159 I N 0.384 121.090 120.570 0.227 0.000 2.498 159 I HA 0.451 4.621 4.170 0.001 0.000 0.301 159 I C 0.386 176.436 176.117 -0.112 0.000 0.984 159 I CA -0.775 60.566 61.300 0.067 0.000 1.204 159 I CB 1.932 39.806 38.000 -0.210 0.000 1.362 159 I HN 0.265 nan 8.210 nan 0.000 0.471 160 R N 5.113 125.596 120.500 -0.028 0.000 2.230 160 R HA 0.246 4.587 4.340 0.001 0.000 0.337 160 R C -1.457 174.846 176.300 0.005 0.000 1.063 160 R CA -0.559 55.541 56.100 0.000 0.000 0.935 160 R CB 0.225 30.472 30.300 -0.089 0.000 1.121 160 R HN 0.384 nan 8.270 nan 0.000 0.486 161 Y N 2.354 122.803 120.300 0.249 0.000 2.587 161 Y HA -0.048 4.503 4.550 0.001 0.000 0.344 161 Y C 1.513 177.604 175.900 0.317 0.000 1.061 161 Y CA 0.134 58.389 58.100 0.259 0.000 1.370 161 Y CB 0.710 39.306 38.460 0.228 0.000 1.163 161 Y HN 0.553 nan 8.280 nan 0.000 0.527 162 E N 2.561 122.930 120.200 0.281 0.000 2.333 162 E HA -0.116 4.234 4.350 0.001 0.000 0.198 162 E C -0.761 175.577 176.600 -0.437 0.000 1.007 162 E CA 0.847 57.188 56.400 -0.099 0.000 0.845 162 E CB 0.151 29.758 29.700 -0.154 0.000 0.766 162 E HN 0.430 nan 8.360 nan 0.000 0.507 163 F N -0.678 119.511 119.950 0.398 0.000 2.557 163 F HA 0.375 4.903 4.527 0.001 0.000 0.316 163 F C 0.761 176.784 175.800 0.370 0.000 1.141 163 F CA -0.864 57.382 58.000 0.410 0.000 0.922 163 F CB 1.635 40.776 39.000 0.235 0.000 1.194 163 F HN -0.237 nan 8.300 nan 0.000 0.443 164 G N 1.365 110.400 108.800 0.392 0.000 2.653 164 G HA2 0.265 4.226 3.960 0.001 0.000 0.265 164 G HA3 0.265 4.226 3.960 0.001 0.000 0.265 164 G C -0.270 174.661 174.900 0.053 0.000 1.237 164 G CA -0.623 44.506 45.100 0.048 0.000 0.946 164 G HN 0.694 nan 8.290 nan 0.000 0.522 165 I N 2.096 122.591 120.570 -0.125 0.000 2.668 165 I HA 0.211 4.381 4.170 0.001 0.000 0.309 165 I C 0.758 176.655 176.117 -0.366 0.000 1.195 165 I CA -0.598 60.599 61.300 -0.171 0.000 1.919 165 I CB -2.063 35.752 38.000 -0.307 0.000 1.551 165 I HN 0.552 nan 8.210 nan 0.000 0.908 166 F N 2.934 122.931 119.950 0.078 0.000 1.377 166 F HA -0.315 4.213 4.527 0.001 0.000 0.066 166 F C -0.467 175.398 175.800 0.108 0.000 0.132 166 F CA 0.392 58.451 58.000 0.098 0.000 0.284 166 F CB -0.876 38.168 39.000 0.073 0.000 0.714 166 F HN 0.521 nan 8.300 nan 0.000 0.665 167 N N 0.864 119.800 118.700 0.392 0.000 2.352 167 N HA 0.184 4.924 4.740 0.001 0.000 0.291 167 N C -1.636 174.120 175.510 0.410 0.000 1.040 167 N CA -0.693 52.519 53.050 0.270 0.000 0.864 167 N CB 1.950 40.561 38.487 0.207 0.000 1.440 167 N HN 0.681 nan 8.380 nan 0.000 0.483 168 Q N 2.489 122.518 119.800 0.381 0.000 2.296 168 Q HA 0.122 4.462 4.340 0.001 0.000 0.262 168 Q C -0.948 175.189 176.000 0.229 0.000 0.981 168 Q CA 0.123 56.150 55.803 0.374 0.000 0.905 168 Q CB 0.678 29.648 28.738 0.387 0.000 1.186 168 Q HN 0.263 nan 8.270 nan 0.000 0.399 169 K N 4.428 124.928 120.400 0.167 0.000 2.316 169 K HA 0.458 4.779 4.320 0.001 0.000 0.251 169 K C -1.489 175.151 176.600 0.067 0.000 0.934 169 K CA -0.678 55.669 56.287 0.101 0.000 0.802 169 K CB 1.214 33.761 32.500 0.079 0.000 1.171 169 K HN 0.572 nan 8.250 nan 0.000 0.426 170 I N 3.730 124.317 120.570 0.027 0.000 2.406 170 I HA 0.356 4.527 4.170 0.001 0.000 0.290 170 I C -0.858 175.254 176.117 -0.008 0.000 0.999 170 I CA -0.748 60.543 61.300 -0.016 0.000 1.124 170 I CB 1.175 39.128 38.000 -0.079 0.000 1.289 170 I HN 0.559 nan 8.210 nan 0.000 0.441 171 C N 3.849 123.165 119.300 0.026 0.000 2.383 171 C HA 0.587 5.047 4.460 0.001 0.000 0.330 171 C C 0.972 176.013 174.990 0.085 0.000 1.168 171 C CA -0.649 58.392 59.018 0.039 0.000 1.374 171 C CB 0.509 28.276 27.740 0.045 0.000 2.014 171 C HN 1.094 nan 8.230 nan 0.000 0.439 172 G N 2.358 111.186 108.800 0.047 0.000 2.249 172 G HA2 0.162 4.122 3.960 0.001 0.000 0.273 172 G HA3 0.162 4.122 3.960 0.001 0.000 0.273 172 G C 1.139 176.030 174.900 -0.015 0.000 1.036 172 G CA 1.073 46.211 45.100 0.062 0.000 0.824 172 G HN 2.389 nan 8.290 nan 0.000 0.504 173 G N -2.375 106.365 108.800 -0.100 0.000 2.284 173 G HA2 -0.321 3.639 3.960 0.001 0.000 0.247 173 G HA3 -0.321 3.639 3.960 0.001 0.000 0.247 173 G C 0.562 175.289 174.900 -0.289 0.000 1.012 173 G CA 0.686 45.627 45.100 -0.265 0.000 0.618 173 G HN 1.221 nan 8.290 nan 0.000 0.521 174 W N 1.352 122.589 121.300 -0.105 0.000 2.375 174 W HA 0.668 5.329 4.660 0.001 0.000 0.336 174 W C 0.732 177.184 176.519 -0.112 0.000 1.160 174 W CA -0.728 56.554 57.345 -0.105 0.000 1.266 174 W CB 0.722 30.141 29.460 -0.069 0.000 1.195 174 W HN 0.237 nan 8.180 nan 0.000 0.599 175 Q N 2.210 122.097 119.800 0.145 0.000 2.286 175 Q HA 0.350 4.690 4.340 0.001 0.000 0.257 175 Q C -1.008 175.018 176.000 0.043 0.000 0.941 175 Q CA -0.287 55.549 55.803 0.054 0.000 0.912 175 Q CB 0.692 29.451 28.738 0.033 0.000 1.192 175 Q HN 0.319 nan 8.270 nan 0.000 0.410 176 M N 3.258 122.876 119.600 0.030 0.000 2.253 176 M HA 0.320 4.800 4.480 0.001 0.000 0.314 176 M C -1.486 174.815 176.300 0.001 0.000 1.019 176 M CA -0.690 54.613 55.300 0.004 0.000 0.932 176 M CB 1.977 34.592 32.600 0.025 0.000 1.606 176 M HN 0.480 nan 8.290 nan 0.000 0.430 177 E N 2.162 122.317 120.200 -0.075 0.000 2.227 177 E HA 0.463 4.814 4.350 0.001 0.000 0.282 177 E C -0.827 175.799 176.600 0.043 0.000 1.015 177 E CA -0.261 56.089 56.400 -0.085 0.000 0.823 177 E CB 0.795 30.266 29.700 -0.382 0.000 1.081 177 E HN 0.428 nan 8.360 nan 0.000 0.396 178 E N 1.051 121.341 120.200 0.149 0.000 2.212 178 E HA 0.623 4.973 4.350 0.001 0.000 0.268 178 E C -0.834 175.879 176.600 0.189 0.000 0.902 178 E CA -1.312 55.167 56.400 0.132 0.000 0.779 178 E CB 1.871 31.649 29.700 0.130 0.000 1.172 178 E HN 0.551 nan 8.360 nan 0.000 0.409 179 A N 1.922 124.838 122.820 0.159 0.000 2.425 179 A HA 0.044 4.364 4.320 0.001 0.000 0.249 179 A C -0.019 177.754 177.584 0.316 0.000 1.084 179 A CA -0.238 51.925 52.037 0.210 0.000 0.781 179 A CB 0.194 19.249 19.000 0.091 0.000 1.019 179 A HN 0.580 nan 8.150 nan 0.000 0.490 180 D N 1.578 122.208 120.400 0.384 0.000 2.498 180 D HA 0.112 4.753 4.640 0.001 0.000 0.229 180 D C -0.320 176.304 176.300 0.540 0.000 1.188 180 D CA 0.045 54.278 54.000 0.388 0.000 1.028 180 D CB 0.124 41.095 40.800 0.286 0.000 1.087 180 D HN 0.426 nan 8.370 nan 0.000 0.510 181 D N 3.501 124.177 120.400 0.461 0.000 2.934 181 D HA -0.048 4.592 4.640 0.001 0.000 0.237 181 D C 1.460 177.845 176.300 0.142 0.000 1.158 181 D CA -0.458 53.731 54.000 0.315 0.000 0.971 181 D CB -0.248 40.752 40.800 0.333 0.000 1.123 181 D HN 0.520 nan 8.370 nan 0.000 0.467 182 W N 0.750 122.045 121.300 -0.009 0.000 2.402 182 W HA -0.099 4.562 4.660 0.001 0.000 0.286 182 W C 0.459 176.988 176.519 0.016 0.000 1.221 182 W CA 0.242 57.605 57.345 0.030 0.000 1.257 182 W CB -0.879 28.605 29.460 0.040 0.000 1.120 182 W HN 0.109 nan 8.180 nan 0.000 0.551 183 L N 1.299 122.114 121.223 -0.681 0.000 2.599 183 L HA 0.116 4.457 4.340 0.001 0.000 0.230 183 L C 2.789 179.463 176.870 -0.326 0.000 1.141 183 L CA 0.227 54.677 54.840 -0.650 0.000 0.877 183 L CB -0.811 40.705 42.059 -0.905 0.000 1.009 183 L HN -0.060 nan 8.230 nan 0.000 0.447 184 R N 0.328 120.687 120.500 -0.236 0.000 2.153 184 R HA -0.239 4.101 4.340 0.001 0.000 0.252 184 R C 0.930 176.945 176.300 -0.476 0.000 1.158 184 R CA 1.974 57.880 56.100 -0.323 0.000 0.975 184 R CB -0.080 30.030 30.300 -0.318 0.000 0.871 184 R HN 0.359 nan 8.270 nan 0.000 0.450 185 Y N -0.915 119.392 120.300 0.012 0.000 2.584 185 Y HA 0.340 4.891 4.550 0.001 0.000 0.254 185 Y C 0.636 176.510 175.900 -0.043 0.000 1.177 185 Y CA 0.329 58.435 58.100 0.010 0.000 1.216 185 Y CB 1.218 39.774 38.460 0.160 0.000 1.172 185 Y HN 0.322 nan 8.280 nan 0.000 0.529 186 G N 1.626 110.444 108.800 0.030 0.000 2.758 186 G HA2 -0.248 3.712 3.960 0.001 0.000 0.686 186 G HA3 -0.248 3.712 3.960 0.001 0.000 0.686 186 G C -1.076 173.909 174.900 0.141 0.000 1.389 186 G CA -0.724 44.370 45.100 -0.010 0.000 0.845 186 G HN 0.277 nan 8.290 nan 0.000 0.572 187 N N 1.307 120.036 118.700 0.048 0.000 2.446 187 N HA 0.611 5.352 4.740 0.001 0.000 0.265 187 N C -0.920 174.604 175.510 0.024 0.000 0.975 187 N CA -2.267 50.846 53.050 0.105 0.000 0.928 187 N CB 1.989 40.494 38.487 0.031 0.000 1.160 187 N HN 0.113 nan 8.380 nan 0.000 0.495 188 P HA 0.033 nan 4.420 nan 0.000 0.220 188 P C 0.500 177.412 177.300 -0.646 0.000 1.148 188 P CA 1.069 63.808 63.100 -0.602 0.000 0.803 188 P CB 0.066 31.091 31.700 -1.127 0.000 0.782 189 W N 1.001 122.267 121.300 -0.057 0.000 3.003 189 W HA 0.092 4.753 4.660 0.001 0.000 0.257 189 W C 0.952 177.440 176.519 -0.052 0.000 1.308 189 W CA -0.344 56.966 57.345 -0.059 0.000 1.529 189 W CB -0.141 29.307 29.460 -0.019 0.000 1.115 189 W HN 0.018 nan 8.180 nan 0.000 0.659 190 E N 1.051 121.328 120.200 0.127 0.000 2.212 190 E HA 0.522 4.873 4.350 0.001 0.000 0.270 190 E C -0.828 175.795 176.600 0.039 0.000 0.956 190 E CA -1.102 55.357 56.400 0.099 0.000 0.825 190 E CB 1.756 31.553 29.700 0.161 0.000 1.167 190 E HN -0.318 nan 8.360 nan 0.000 0.400 191 K N 1.134 121.528 120.400 -0.010 0.000 2.345 191 K HA 0.518 4.839 4.320 0.001 0.000 0.255 191 K C -1.361 175.167 176.600 -0.120 0.000 0.934 191 K CA -0.551 55.694 56.287 -0.070 0.000 0.801 191 K CB 1.904 34.323 32.500 -0.136 0.000 1.137 191 K HN 0.674 nan 8.250 nan 0.000 0.424 192 A N 4.501 127.180 122.820 -0.235 0.000 2.388 192 A HA 0.466 4.787 4.320 0.001 0.000 0.257 192 A C -0.526 176.824 177.584 -0.390 0.000 1.095 192 A CA -0.482 51.181 52.037 -0.623 0.000 0.791 192 A CB 0.273 18.895 19.000 -0.631 0.000 1.029 192 A HN 0.735 nan 8.150 nan 0.000 0.489 193 R N 3.003 123.284 120.500 -0.365 0.000 2.477 193 R HA 0.221 4.562 4.340 0.001 0.000 0.285 193 R C -2.586 173.574 176.300 -0.233 0.000 1.415 193 R CA -1.419 54.538 56.100 -0.239 0.000 1.446 193 R CB 0.893 31.182 30.300 -0.018 0.000 1.110 193 R HN 0.424 nan 8.270 nan 0.000 0.590 194 P HA -0.217 nan 4.420 nan 0.000 0.218 194 P C 1.224 178.440 177.300 -0.139 0.000 1.148 194 P CA 1.083 64.095 63.100 -0.148 0.000 0.822 194 P CB 0.268 31.888 31.700 -0.133 0.000 0.784 195 E N -0.863 119.161 120.200 -0.293 0.000 2.401 195 E HA -0.150 4.200 4.350 0.001 0.000 0.199 195 E C 0.109 176.562 176.600 -0.245 0.000 1.023 195 E CA 1.118 57.292 56.400 -0.376 0.000 0.859 195 E CB -0.673 28.607 29.700 -0.700 0.000 0.780 195 E HN 0.282 nan 8.360 nan 0.000 0.523 196 F N 1.366 121.339 119.950 0.038 0.000 2.841 196 F HA 0.268 4.795 4.527 0.001 0.000 0.358 196 F C -0.065 175.818 175.800 0.138 0.000 1.261 196 F CA -1.026 57.025 58.000 0.085 0.000 1.233 196 F CB 0.344 39.400 39.000 0.093 0.000 1.008 196 F HN -0.294 nan 8.300 nan 0.000 0.507 197 T N 3.418 118.118 114.554 0.243 0.000 2.834 197 T HA 0.486 4.836 4.350 0.001 0.000 0.298 197 T C 0.227 175.030 174.700 0.172 0.000 0.966 197 T CA 0.162 62.392 62.100 0.217 0.000 1.141 197 T CB 0.709 69.662 68.868 0.143 0.000 0.905 197 T HN 0.046 nan 8.240 nan 0.000 0.535 198 L N 5.610 126.915 121.223 0.137 0.000 2.330 198 L HA 0.574 4.914 4.340 0.001 0.000 0.271 198 L C -2.140 174.696 176.870 -0.056 0.000 1.013 198 L CA -2.675 52.175 54.840 0.017 0.000 0.816 198 L CB 1.899 43.915 42.059 -0.072 0.000 1.287 198 L HN 0.373 nan 8.230 nan 0.000 0.435 199 P HA 0.247 nan 4.420 nan 0.000 0.290 199 P C -1.063 176.054 177.300 -0.306 0.000 1.276 199 P CA -0.360 62.622 63.100 -0.197 0.000 0.808 199 P CB 1.996 33.554 31.700 -0.236 0.000 0.966 200 V N 4.348 124.104 119.914 -0.264 0.000 2.513 200 V HA 0.293 4.413 4.120 0.001 0.000 0.299 200 V C -0.039 175.833 176.094 -0.371 0.000 1.035 200 V CA -0.541 61.599 62.300 -0.266 0.000 0.889 200 V CB 0.940 32.711 31.823 -0.087 0.000 0.988 200 V HN 0.567 nan 8.190 nan 0.000 0.440 201 H N 3.873 122.822 119.070 -0.201 0.000 2.476 201 H HA 0.620 5.176 4.556 0.001 0.000 0.328 201 H C -0.969 174.145 175.328 -0.357 0.000 1.073 201 H CA -0.073 55.781 56.048 -0.324 0.000 1.229 201 H CB 1.080 30.402 29.762 -0.733 0.000 1.432 201 H HN 0.502 nan 8.280 nan 0.000 0.477 202 F N 1.652 121.700 119.950 0.162 0.000 2.575 202 F HA 0.296 4.824 4.527 0.001 0.000 0.330 202 F C 0.006 175.955 175.800 0.248 0.000 1.056 202 F CA -0.642 57.437 58.000 0.131 0.000 0.964 202 F CB 0.685 39.682 39.000 -0.005 0.000 1.258 202 F HN 0.576 nan 8.300 nan 0.000 0.484 203 Y N 0.152 120.719 120.300 0.446 0.000 2.892 203 Y HA 0.039 4.590 4.550 0.001 0.000 0.465 203 Y C 1.091 177.227 175.900 0.393 0.000 1.195 203 Y CA 0.718 59.010 58.100 0.319 0.000 2.512 203 Y CB -1.769 36.814 38.460 0.206 0.000 1.230 203 Y HN 1.175 nan 8.280 nan 0.000 0.633 204 G N -0.278 108.785 108.800 0.439 0.000 2.483 204 G HA2 0.187 4.147 3.960 0.001 0.000 0.521 204 G HA3 0.187 4.147 3.960 0.001 0.000 0.521 204 G C -1.280 173.817 174.900 0.328 0.000 1.278 204 G CA -0.317 44.975 45.100 0.319 0.000 0.965 204 G HN 0.687 nan 8.290 nan 0.000 0.504 205 R N -1.293 119.385 120.500 0.298 0.000 2.673 205 R HA 0.606 4.946 4.340 0.001 0.000 0.281 205 R C -0.882 175.554 176.300 0.227 0.000 0.991 205 R CA -0.823 55.402 56.100 0.208 0.000 0.896 205 R CB 2.488 32.860 30.300 0.120 0.000 1.201 205 R HN 0.534 nan 8.270 nan 0.000 0.457 206 V N 2.431 122.426 119.914 0.134 0.000 2.370 206 V HA 0.298 4.419 4.120 0.001 0.000 0.283 206 V C 0.121 176.227 176.094 0.020 0.000 1.023 206 V CA -0.589 61.740 62.300 0.048 0.000 0.857 206 V CB 1.442 33.243 31.823 -0.036 0.000 0.985 206 V HN 0.722 nan 8.190 nan 0.000 0.443 207 E N 2.786 122.964 120.200 -0.036 0.000 2.250 207 E HA 0.511 4.861 4.350 0.001 0.000 0.265 207 E C -1.071 175.436 176.600 -0.154 0.000 1.033 207 E CA -0.696 55.693 56.400 -0.018 0.000 0.888 207 E CB 1.050 30.746 29.700 -0.006 0.000 1.151 207 E HN 0.692 nan 8.360 nan 0.000 0.412 208 H N 0.092 119.172 119.070 0.016 0.000 2.865 208 H HA 0.306 4.862 4.556 0.001 0.000 0.362 208 H C -0.654 174.677 175.328 0.006 0.000 1.114 208 H CA -0.412 55.640 56.048 0.008 0.000 1.208 208 H CB 1.913 31.674 29.762 -0.000 0.000 1.727 208 H HN 0.704 nan 8.280 nan 0.000 0.534 209 T N -1.646 112.975 114.554 0.112 0.000 2.696 209 T HA 0.216 4.567 4.350 0.001 0.000 0.291 209 T C 1.173 175.908 174.700 0.058 0.000 1.095 209 T CA -0.064 62.074 62.100 0.064 0.000 1.026 209 T CB 1.029 69.917 68.868 0.033 0.000 1.390 209 T HN 0.407 nan 8.240 nan 0.000 0.513 210 S N -0.156 115.566 115.700 0.037 0.000 2.383 210 S HA -0.121 4.350 4.470 0.001 0.000 0.227 210 S C 1.950 176.567 174.600 0.027 0.000 1.026 210 S CA 0.997 59.214 58.200 0.028 0.000 0.981 210 S CB -0.750 62.462 63.200 0.019 0.000 0.818 210 S HN 0.723 nan 8.310 nan 0.000 0.472 211 Q N 1.284 121.098 119.800 0.024 0.000 2.297 211 Q HA 0.329 4.670 4.340 0.001 0.000 0.204 211 Q C 0.937 176.950 176.000 0.022 0.000 0.962 211 Q CA 0.745 56.559 55.803 0.019 0.000 0.879 211 Q CB 0.065 28.811 28.738 0.012 0.000 0.947 211 Q HN 0.759 nan 8.270 nan 0.000 0.462 212 G N -1.340 107.478 108.800 0.031 0.000 2.357 212 G HA2 0.272 4.233 3.960 0.001 0.000 0.289 212 G HA3 0.272 4.233 3.960 0.001 0.000 0.289 212 G C -1.655 173.248 174.900 0.006 0.000 1.302 212 G CA -0.676 44.446 45.100 0.036 0.000 0.936 212 G HN 0.204 nan 8.290 nan 0.000 0.513 213 A N -0.292 122.495 122.820 -0.055 0.000 2.340 213 A HA 0.765 5.085 4.320 0.001 0.000 0.268 213 A C 0.208 177.681 177.584 -0.185 0.000 1.100 213 A CA 0.160 52.008 52.037 -0.316 0.000 0.803 213 A CB 0.580 19.302 19.000 -0.464 0.000 1.043 213 A HN 0.685 nan 8.150 nan 0.000 0.488 214 K N 1.013 121.314 120.400 -0.166 0.000 2.541 214 K HA 0.204 4.525 4.320 0.001 0.000 0.250 214 K C -1.803 174.815 176.600 0.030 0.000 0.950 214 K CA -0.245 56.012 56.287 -0.050 0.000 0.805 214 K CB 1.942 34.419 32.500 -0.039 0.000 1.166 214 K HN 0.722 nan 8.250 nan 0.000 0.430 215 W N 6.153 127.354 121.300 -0.166 0.000 2.317 215 W HA 0.329 4.989 4.660 0.001 0.000 0.327 215 W C -0.666 175.766 176.519 -0.144 0.000 1.036 215 W CA -0.915 56.340 57.345 -0.150 0.000 1.419 215 W CB 0.107 29.468 29.460 -0.165 0.000 1.253 215 W HN 0.290 nan 8.180 nan 0.000 0.392 216 V N 2.931 122.830 119.914 -0.025 0.000 3.093 216 V HA 0.600 4.721 4.120 0.001 0.000 0.320 216 V C 0.173 176.202 176.094 -0.109 0.000 1.093 216 V CA -0.565 61.665 62.300 -0.118 0.000 1.016 216 V CB 1.848 33.647 31.823 -0.041 0.000 1.096 216 V HN 0.515 nan 8.190 nan 0.000 0.452 217 D N -0.584 119.757 120.400 -0.099 0.000 3.076 217 D HA -0.152 4.488 4.640 0.001 0.000 0.218 217 D C 0.606 176.884 176.300 -0.037 0.000 1.156 217 D CA 1.532 55.507 54.000 -0.042 0.000 0.921 217 D CB -2.000 38.810 40.800 0.016 0.000 1.113 217 D HN 1.289 nan 8.370 nan 0.000 0.418 218 T N -2.107 112.356 114.554 -0.152 0.000 2.860 218 T HA 0.410 4.761 4.350 0.001 0.000 0.299 218 T C 0.621 175.366 174.700 0.074 0.000 1.045 218 T CA -0.526 61.520 62.100 -0.091 0.000 1.071 218 T CB 1.514 70.110 68.868 -0.454 0.000 0.985 218 T HN 0.099 nan 8.240 nan 0.000 0.537 219 Q N 0.256 120.175 119.800 0.198 0.000 2.221 219 Q HA 0.665 5.006 4.340 0.001 0.000 0.242 219 Q C -0.818 175.300 176.000 0.197 0.000 0.940 219 Q CA -1.077 54.844 55.803 0.198 0.000 0.896 219 Q CB 1.635 30.530 28.738 0.260 0.000 1.226 219 Q HN 0.500 nan 8.270 nan 0.000 0.463 220 V N 1.309 121.302 119.914 0.131 0.000 2.715 220 V HA 0.515 4.635 4.120 0.001 0.000 0.310 220 V C -0.664 175.509 176.094 0.132 0.000 1.054 220 V CA -0.724 61.603 62.300 0.045 0.000 0.928 220 V CB 2.107 33.902 31.823 -0.048 0.000 1.007 220 V HN 0.507 nan 8.190 nan 0.000 0.437 221 V N 4.981 124.999 119.914 0.173 0.000 2.656 221 V HA 0.500 4.621 4.120 0.001 0.000 0.307 221 V C -0.411 175.807 176.094 0.206 0.000 1.051 221 V CA -0.613 61.828 62.300 0.234 0.000 0.893 221 V CB 2.007 34.062 31.823 0.386 0.000 0.999 221 V HN 0.619 nan 8.190 nan 0.000 0.426 222 L N 3.586 124.932 121.223 0.204 0.000 2.312 222 L HA 0.763 5.104 4.340 0.001 0.000 0.281 222 L C 0.373 177.446 176.870 0.338 0.000 1.070 222 L CA -0.403 54.553 54.840 0.194 0.000 0.805 222 L CB 1.555 43.702 42.059 0.147 0.000 1.174 222 L HN 0.763 nan 8.230 nan 0.000 0.434 223 A N 5.365 128.336 122.820 0.253 0.000 2.267 223 A HA 0.565 4.885 4.320 0.001 0.000 0.315 223 A C -0.483 177.373 177.584 0.453 0.000 1.297 223 A CA -0.471 51.760 52.037 0.324 0.000 0.865 223 A CB 0.909 19.727 19.000 -0.303 0.000 1.165 223 A HN 0.782 nan 8.150 nan 0.000 0.513 224 M N 5.828 125.727 119.600 0.497 0.000 2.209 224 M HA 0.417 4.897 4.480 0.001 0.000 0.355 224 M C -2.485 174.030 176.300 0.358 0.000 1.171 224 M CA -2.154 53.369 55.300 0.370 0.000 1.069 224 M CB 2.005 34.744 32.600 0.232 0.000 1.622 224 M HN 0.379 nan 8.290 nan 0.000 0.459 225 P HA 0.201 nan 4.420 nan 0.000 0.286 225 P C -1.957 175.277 177.300 -0.110 0.000 1.269 225 P CA -0.080 62.877 63.100 -0.238 0.000 0.787 225 P CB 0.476 31.880 31.700 -0.494 0.000 0.920 226 Y N 1.977 122.165 120.300 -0.188 0.000 2.341 226 Y HA 0.365 4.916 4.550 0.001 0.000 0.338 226 Y C 0.255 176.054 175.900 -0.167 0.000 0.965 226 Y CA -0.412 57.617 58.100 -0.118 0.000 1.108 226 Y CB 1.362 39.782 38.460 -0.067 0.000 1.180 226 Y HN 0.350 nan 8.280 nan 0.000 0.458 227 D N -0.026 120.358 120.400 -0.028 0.000 2.646 227 D HA 0.499 5.140 4.640 0.001 0.000 0.245 227 D C -0.739 175.497 176.300 -0.106 0.000 1.099 227 D CA -0.765 53.180 54.000 -0.091 0.000 0.849 227 D CB 1.619 42.358 40.800 -0.102 0.000 1.448 227 D HN 0.247 nan 8.370 nan 0.000 0.489 228 T N 1.616 116.117 114.554 -0.087 0.000 2.929 228 T HA 0.573 4.924 4.350 0.001 0.000 0.284 228 T C -2.436 172.205 174.700 -0.098 0.000 1.014 228 T CA -1.394 60.666 62.100 -0.067 0.000 1.051 228 T CB 1.460 70.327 68.868 -0.001 0.000 1.028 228 T HN 0.367 nan 8.240 nan 0.000 0.485 229 P HA 0.353 nan 4.420 nan 0.000 0.284 229 P C -1.015 176.304 177.300 0.032 0.000 1.253 229 P CA -0.490 62.621 63.100 0.017 0.000 0.800 229 P CB 1.001 32.705 31.700 0.007 0.000 0.961 230 V N 0.603 120.553 119.914 0.060 0.000 2.444 230 V HA 0.651 4.771 4.120 0.001 0.000 0.294 230 V C -2.780 173.332 176.094 0.029 0.000 1.022 230 V CA -2.740 59.563 62.300 0.004 0.000 0.850 230 V CB 2.008 33.824 31.823 -0.012 0.000 0.992 230 V HN 0.400 nan 8.190 nan 0.000 0.426 231 P HA 0.477 nan 4.420 nan 0.000 0.298 231 P C 0.161 177.472 177.300 0.018 0.000 1.314 231 P CA 0.105 63.216 63.100 0.018 0.000 0.854 231 P CB 2.127 33.829 31.700 0.004 0.000 1.019 232 G N 1.912 110.728 108.800 0.027 0.000 2.504 232 G HA2 0.194 4.155 3.960 0.001 0.000 0.288 232 G HA3 0.194 4.155 3.960 0.001 0.000 0.288 232 G C -1.197 173.736 174.900 0.057 0.000 1.182 232 G CA -0.486 44.645 45.100 0.052 0.000 0.894 232 G HN 0.465 nan 8.290 nan 0.000 0.521 233 Y N 1.210 121.493 120.300 -0.028 0.000 2.674 233 Y HA 0.179 4.729 4.550 0.001 0.000 0.354 233 Y C 1.644 177.521 175.900 -0.038 0.000 1.089 233 Y CA 0.120 58.196 58.100 -0.041 0.000 1.444 233 Y CB -0.122 38.308 38.460 -0.050 0.000 1.187 233 Y HN 0.766 nan 8.280 nan 0.000 0.523 234 R N 1.957 122.200 120.500 -0.429 0.000 3.913 234 R HA -0.323 4.017 4.340 0.001 0.000 0.308 234 R C 0.652 176.858 176.300 -0.156 0.000 1.225 234 R CA 1.138 57.029 56.100 -0.348 0.000 0.869 234 R CB -1.583 28.379 30.300 -0.564 0.000 1.266 234 R HN 0.770 nan 8.270 nan 0.000 0.534 235 N N 0.111 118.761 118.700 -0.084 0.000 2.373 235 N HA -0.048 4.692 4.740 0.001 0.000 0.181 235 N C 0.278 175.754 175.510 -0.056 0.000 1.082 235 N CA 0.490 53.513 53.050 -0.045 0.000 0.885 235 N CB 0.048 38.531 38.487 -0.007 0.000 0.977 235 N HN 0.222 nan 8.380 nan 0.000 0.462 236 N N -1.294 117.369 118.700 -0.062 0.000 2.925 236 N HA -0.127 4.613 4.740 0.001 0.000 0.244 236 N C -1.284 174.193 175.510 -0.055 0.000 1.000 236 N CA 0.484 53.500 53.050 -0.056 0.000 0.895 236 N CB -1.569 36.878 38.487 -0.066 0.000 1.119 236 N HN 0.165 nan 8.380 nan 0.000 0.569 237 V N 1.524 121.414 119.914 -0.039 0.000 2.406 237 V HA 0.398 4.518 4.120 0.001 0.000 0.272 237 V C 0.473 176.562 176.094 -0.010 0.000 1.043 237 V CA -0.405 61.873 62.300 -0.037 0.000 0.915 237 V CB 1.778 33.609 31.823 0.014 0.000 0.988 237 V HN -0.033 nan 8.190 nan 0.000 0.466 238 V N 6.206 126.110 119.914 -0.018 0.000 2.444 238 V HA 0.529 4.649 4.120 0.001 0.000 0.294 238 V C -0.051 176.074 176.094 0.051 0.000 1.022 238 V CA -0.770 61.569 62.300 0.064 0.000 0.850 238 V CB 1.703 33.611 31.823 0.141 0.000 0.992 238 V HN 0.839 nan 8.190 nan 0.000 0.426 239 N N 1.810 120.559 118.700 0.081 0.000 2.741 239 N HA 0.580 5.321 4.740 0.001 0.000 0.310 239 N C -0.311 175.279 175.510 0.135 0.000 1.295 239 N CA -0.484 52.580 53.050 0.023 0.000 0.893 239 N CB 1.838 40.286 38.487 -0.065 0.000 1.247 239 N HN 0.558 nan 8.380 nan 0.000 0.596 240 T N 0.879 115.456 114.554 0.038 0.000 2.888 240 T HA 0.475 4.825 4.350 0.001 0.000 0.284 240 T C -0.165 174.518 174.700 -0.029 0.000 1.017 240 T CA -0.485 61.712 62.100 0.162 0.000 1.022 240 T CB 1.079 70.148 68.868 0.334 0.000 1.013 240 T HN 0.337 nan 8.240 nan 0.000 0.465 241 M N 3.205 122.747 119.600 -0.096 0.000 2.181 241 M HA 0.639 5.119 4.480 0.001 0.000 0.323 241 M C -0.895 175.221 176.300 -0.307 0.000 1.004 241 M CA -0.830 54.311 55.300 -0.265 0.000 0.941 241 M CB 1.044 33.459 32.600 -0.308 0.000 1.579 241 M HN 0.438 nan 8.290 nan 0.000 0.427 242 R N 5.408 125.606 120.500 -0.503 0.000 2.310 242 R HA 0.659 5.000 4.340 0.001 0.000 0.324 242 R C -2.158 173.808 176.300 -0.557 0.000 0.955 242 R CA -0.237 55.524 56.100 -0.565 0.000 0.830 242 R CB 0.911 30.706 30.300 -0.843 0.000 1.154 242 R HN 0.842 nan 8.270 nan 0.000 0.458 243 L N 4.746 125.743 121.223 -0.377 0.000 2.341 243 L HA 0.554 4.895 4.340 0.001 0.000 0.278 243 L C -0.705 176.057 176.870 -0.181 0.000 1.005 243 L CA -0.872 53.836 54.840 -0.221 0.000 0.818 243 L CB 1.539 43.559 42.059 -0.064 0.000 1.259 243 L HN 0.554 nan 8.230 nan 0.000 0.418 244 W N 2.064 123.477 121.300 0.189 0.000 2.316 244 W HA 0.431 5.092 4.660 0.001 0.000 0.311 244 W C 0.614 177.374 176.519 0.402 0.000 1.217 244 W CA -0.130 57.364 57.345 0.249 0.000 1.199 244 W CB 1.361 30.840 29.460 0.031 0.000 1.202 244 W HN 0.367 nan 8.180 nan 0.000 0.528 245 S N 2.622 118.715 115.700 0.656 0.000 2.473 245 S HA 0.766 5.236 4.470 0.001 0.000 0.307 245 S C -0.467 174.453 174.600 0.534 0.000 1.094 245 S CA -0.742 57.735 58.200 0.463 0.000 1.070 245 S CB 0.614 64.062 63.200 0.413 0.000 1.019 245 S HN 0.533 nan 8.310 nan 0.000 0.480 246 A N 5.153 128.132 122.820 0.264 0.000 2.320 246 A HA 0.572 4.893 4.320 0.001 0.000 0.287 246 A C -0.114 177.565 177.584 0.159 0.000 1.181 246 A CA -0.426 51.707 52.037 0.159 0.000 0.831 246 A CB 0.243 19.076 19.000 -0.279 0.000 1.102 246 A HN 0.820 nan 8.150 nan 0.000 0.513 247 K N 1.607 122.128 120.400 0.202 0.000 2.207 247 K HA 0.607 4.927 4.320 0.001 0.000 0.255 247 K C -0.272 176.397 176.600 0.116 0.000 0.941 247 K CA -0.538 55.836 56.287 0.145 0.000 0.825 247 K CB 2.269 34.859 32.500 0.150 0.000 1.119 247 K HN 0.759 nan 8.250 nan 0.000 0.430 248 A N 4.095 126.965 122.820 0.083 0.000 2.366 248 A HA 0.371 4.691 4.320 0.001 0.000 0.272 248 A C -1.913 175.712 177.584 0.068 0.000 1.135 248 A CA -0.998 51.082 52.037 0.071 0.000 0.804 248 A CB -0.280 18.752 19.000 0.053 0.000 1.064 248 A HN 0.494 nan 8.150 nan 0.000 0.499 265 A N 0.141 122.964 122.820 0.005 0.000 2.178 265 A HA -0.049 4.271 4.320 0.001 0.000 0.218 265 A C 1.812 179.403 177.584 0.012 0.000 1.157 265 A CA 1.300 53.342 52.037 0.009 0.000 0.689 265 A CB -0.373 18.635 19.000 0.013 0.000 0.787 265 A HN 0.191 nan 8.150 nan 0.000 0.465 266 V N 0.207 120.126 119.914 0.009 0.000 2.313 266 V HA -0.341 3.780 4.120 0.001 0.000 0.253 266 V C 2.537 178.636 176.094 0.009 0.000 1.070 266 V CA 2.282 64.588 62.300 0.010 0.000 1.057 266 V CB -0.612 31.215 31.823 0.007 0.000 0.653 266 V HN 0.668 nan 8.190 nan 0.000 0.450 267 L N -0.573 120.654 121.223 0.006 0.000 2.017 267 L HA -0.188 4.153 4.340 0.001 0.000 0.208 267 L C 2.415 179.290 176.870 0.009 0.000 1.073 267 L CA 1.891 56.733 54.840 0.004 0.000 0.745 267 L CB -1.013 41.045 42.059 -0.001 0.000 0.894 267 L HN 0.365 nan 8.230 nan 0.000 0.432 268 D N 0.091 120.499 120.400 0.014 0.000 2.103 268 D HA -0.242 4.398 4.640 0.001 0.000 0.190 268 D C 2.191 178.506 176.300 0.024 0.000 0.997 268 D CA 1.364 55.379 54.000 0.025 0.000 0.833 268 D CB -0.267 40.555 40.800 0.036 0.000 0.961 268 D HN 0.128 nan 8.370 nan 0.000 0.447 269 R N 0.514 121.029 120.500 0.024 0.000 2.105 269 R HA -0.131 4.209 4.340 0.001 0.000 0.239 269 R C 1.966 178.279 176.300 0.022 0.000 1.135 269 R CA 1.508 57.624 56.100 0.027 0.000 0.967 269 R CB -0.059 30.256 30.300 0.026 0.000 0.861 269 R HN 0.254 nan 8.270 nan 0.000 0.442 270 N N 0.244 118.954 118.700 0.016 0.000 2.220 270 N HA -0.104 4.637 4.740 0.001 0.000 0.182 270 N C 1.723 177.235 175.510 0.004 0.000 1.023 270 N CA 0.903 53.960 53.050 0.013 0.000 0.856 270 N CB 0.005 38.498 38.487 0.010 0.000 0.997 270 N HN 0.228 nan 8.380 nan 0.000 0.429 271 L N 0.738 121.959 121.223 -0.003 0.000 2.265 271 L HA -0.044 4.296 4.340 0.001 0.000 0.215 271 L C 2.560 179.402 176.870 -0.047 0.000 1.117 271 L CA 1.060 55.888 54.840 -0.020 0.000 0.782 271 L CB -0.400 41.650 42.059 -0.015 0.000 0.914 271 L HN 0.257 nan 8.230 nan 0.000 0.441 272 A N -0.333 122.470 122.820 -0.028 0.000 1.911 272 A HA -0.059 4.261 4.320 0.001 0.000 0.212 272 A C 2.062 179.612 177.584 -0.058 0.000 1.189 272 A CA 0.498 52.507 52.037 -0.047 0.000 0.639 272 A CB -0.137 18.872 19.000 0.014 0.000 0.839 272 A HN 0.210 nan 8.150 nan 0.000 0.449 273 E N 0.857 121.051 120.200 -0.010 0.000 2.265 273 E HA -0.095 4.256 4.350 0.001 0.000 0.196 273 E C 1.387 177.993 176.600 0.011 0.000 0.996 273 E CA 0.764 57.172 56.400 0.012 0.000 0.832 273 E CB -0.511 29.213 29.700 0.040 0.000 0.756 273 E HN 0.696 nan 8.360 nan 0.000 0.491 274 N N -0.236 118.460 118.700 -0.006 0.000 2.550 274 N HA -0.022 4.719 4.740 0.001 0.000 0.186 274 N C 1.075 176.582 175.510 -0.004 0.000 1.110 274 N CA 0.130 53.186 53.050 0.011 0.000 0.912 274 N CB 0.069 38.558 38.487 0.003 0.000 0.968 274 N HN 0.202 nan 8.380 nan 0.000 0.448 275 I N 0.219 120.730 120.570 -0.097 0.000 2.928 275 I HA -0.080 4.091 4.170 0.001 0.000 0.266 275 I C 0.342 176.405 176.117 -0.091 0.000 1.234 275 I CA 0.056 61.259 61.300 -0.161 0.000 1.483 275 I CB -0.088 37.635 38.000 -0.462 0.000 1.097 275 I HN -0.063 nan 8.210 nan 0.000 0.455 290 E N 0.045 120.300 120.200 0.093 0.000 2.118 290 E HA -0.186 4.164 4.350 0.001 0.000 0.195 290 E C 1.693 178.270 176.600 -0.039 0.000 0.992 290 E CA 1.627 58.027 56.400 -0.001 0.000 0.804 290 E CB -0.039 29.668 29.700 0.010 0.000 0.741 290 E HN 0.425 nan 8.360 nan 0.000 0.458 291 L N 1.097 122.325 121.223 0.008 0.000 2.079 291 L HA -0.180 4.160 4.340 0.001 0.000 0.210 291 L C 2.325 179.218 176.870 0.039 0.000 1.081 291 L CA 1.619 56.457 54.840 -0.003 0.000 0.752 291 L CB -0.369 41.707 42.059 0.028 0.000 0.896 291 L HN 0.026 nan 8.230 nan 0.000 0.433 292 R N -0.677 119.896 120.500 0.121 0.000 2.073 292 R HA -0.068 4.273 4.340 0.001 0.000 0.229 292 R C 2.203 178.566 176.300 0.105 0.000 1.120 292 R CA 1.457 57.680 56.100 0.206 0.000 0.967 292 R CB -1.123 29.413 30.300 0.395 0.000 0.862 292 R HN 0.410 nan 8.270 nan 0.000 0.436 293 L N 1.506 122.616 121.223 -0.189 0.000 2.079 293 L HA -0.144 4.196 4.340 0.001 0.000 0.210 293 L C 1.890 178.695 176.870 -0.108 0.000 1.081 293 L CA 1.873 56.410 54.840 -0.505 0.000 0.752 293 L CB -0.265 41.201 42.059 -0.989 0.000 0.896 293 L HN 0.030 nan 8.230 nan 0.000 0.433 294 K N -1.110 119.255 120.400 -0.058 0.000 2.097 294 K HA -0.208 4.112 4.320 0.001 0.000 0.205 294 K C 2.140 178.867 176.600 0.211 0.000 1.050 294 K CA 1.563 57.870 56.287 0.032 0.000 0.938 294 K CB -0.154 32.150 32.500 -0.327 0.000 0.718 294 K HN 0.481 nan 8.250 nan 0.000 0.442 295 Q N 1.106 120.984 119.800 0.130 0.000 2.079 295 Q HA -0.177 4.163 4.340 0.001 0.000 0.200 295 Q C 1.553 177.715 176.000 0.270 0.000 0.974 295 Q CA 1.439 57.353 55.803 0.185 0.000 0.840 295 Q CB 0.207 29.043 28.738 0.164 0.000 0.898 295 Q HN 0.324 nan 8.270 nan 0.000 0.430 296 E N -0.709 119.628 120.200 0.228 0.000 2.106 296 E HA -0.195 4.155 4.350 0.001 0.000 0.192 296 E C 1.634 178.332 176.600 0.164 0.000 0.984 296 E CA 0.936 57.464 56.400 0.213 0.000 0.806 296 E CB -0.085 29.743 29.700 0.214 0.000 0.750 296 E HN 0.391 nan 8.360 nan 0.000 0.458 297 Y N 0.247 120.602 120.300 0.092 0.000 2.263 297 Y HA -0.183 4.367 4.550 0.001 0.000 0.292 297 Y C 1.924 177.862 175.900 0.064 0.000 1.130 297 Y CA 1.005 59.114 58.100 0.015 0.000 1.179 297 Y CB -0.306 38.154 38.460 0.000 0.000 0.998 297 Y HN 0.017 nan 8.280 nan 0.000 0.532 298 F N -0.371 119.568 119.950 -0.019 0.000 2.069 298 F HA -0.252 4.275 4.527 0.001 0.000 0.298 298 F C 2.305 177.953 175.800 -0.253 0.000 1.113 298 F CA 1.986 59.932 58.000 -0.089 0.000 1.214 298 F CB -0.969 38.115 39.000 0.140 0.000 0.978 298 F HN -0.121 nan 8.300 nan 0.000 0.474 299 V N -0.436 119.458 119.914 -0.032 0.000 2.392 299 V HA -0.276 3.844 4.120 0.001 0.000 0.249 299 V C 2.280 178.218 176.094 -0.260 0.000 1.059 299 V CA 1.772 64.018 62.300 -0.090 0.000 1.051 299 V CB -0.293 31.645 31.823 0.192 0.000 0.658 299 V HN 0.326 nan 8.190 nan 0.000 0.455 300 V N -0.436 119.298 119.914 -0.300 0.000 2.346 300 V HA -0.139 3.982 4.120 0.001 0.000 0.244 300 V C 2.588 178.389 176.094 -0.489 0.000 1.037 300 V CA 1.773 63.877 62.300 -0.327 0.000 1.029 300 V CB -0.809 30.855 31.823 -0.265 0.000 0.663 300 V HN 0.576 nan 8.190 nan 0.000 0.454 301 A N 0.210 122.584 122.820 -0.742 0.000 1.851 301 A HA -0.178 4.143 4.320 0.001 0.000 0.216 301 A C 2.429 179.637 177.584 -0.626 0.000 1.195 301 A CA 2.428 54.036 52.037 -0.714 0.000 0.622 301 A CB -1.066 17.350 19.000 -0.975 0.000 0.831 301 A HN 0.569 nan 8.150 nan 0.000 0.444 302 A N -1.261 121.026 122.820 -0.889 0.000 1.902 302 A HA -0.098 4.222 4.320 0.001 0.000 0.217 302 A C 2.316 179.336 177.584 -0.940 0.000 1.181 302 A CA 2.421 53.750 52.037 -1.181 0.000 0.623 302 A CB -1.408 16.277 19.000 -2.192 0.000 0.818 302 A HN 0.460 nan 8.150 nan 0.000 0.443 303 T N 0.460 114.593 114.554 -0.701 0.000 2.684 303 T HA -0.127 4.223 4.350 0.001 0.000 0.267 303 T C 1.749 176.191 174.700 -0.430 0.000 1.036 303 T CA 1.630 63.488 62.100 -0.404 0.000 1.148 303 T CB -0.400 68.236 68.868 -0.388 0.000 0.863 303 T HN 0.358 nan 8.240 nan 0.000 0.436 304 L N 0.648 121.650 121.223 -0.369 0.000 2.275 304 L HA -0.066 4.274 4.340 0.001 0.000 0.215 304 L C 2.859 179.612 176.870 -0.195 0.000 1.119 304 L CA 0.987 55.663 54.840 -0.273 0.000 0.790 304 L CB -0.459 41.477 42.059 -0.206 0.000 0.919 304 L HN 0.315 nan 8.230 nan 0.000 0.443 305 Q N -0.295 119.380 119.800 -0.208 0.000 2.079 305 Q HA -0.222 4.119 4.340 0.001 0.000 0.200 305 Q C 1.693 177.647 176.000 -0.076 0.000 0.974 305 Q CA 1.563 57.291 55.803 -0.124 0.000 0.840 305 Q CB 0.004 28.650 28.738 -0.154 0.000 0.898 305 Q HN 0.431 nan 8.270 nan 0.000 0.430 306 D N 0.447 120.798 120.400 -0.081 0.000 2.097 306 D HA -0.116 4.525 4.640 0.001 0.000 0.195 306 D C 1.815 178.037 176.300 -0.130 0.000 0.989 306 D CA 0.889 54.873 54.000 -0.027 0.000 0.827 306 D CB -0.111 40.755 40.800 0.110 0.000 0.966 306 D HN 0.198 nan 8.370 nan 0.000 0.456 307 I N 0.757 121.137 120.570 -0.317 0.000 2.163 307 I HA -0.246 3.924 4.170 0.001 0.000 0.243 307 I C 2.236 178.331 176.117 -0.037 0.000 1.085 307 I CA 0.677 61.731 61.300 -0.410 0.000 1.347 307 I CB -0.200 37.433 38.000 -0.612 0.000 1.044 307 I HN 0.042 nan 8.210 nan 0.000 0.408 308 I N 0.337 120.958 120.570 0.085 0.000 2.226 308 I HA -0.252 3.919 4.170 0.001 0.000 0.245 308 I C 2.681 178.939 176.117 0.235 0.000 1.100 308 I CA 1.308 62.770 61.300 0.269 0.000 1.374 308 I CB -1.273 36.842 38.000 0.192 0.000 1.057 308 I HN 0.354 nan 8.210 nan 0.000 0.413 309 R N 1.612 122.182 120.500 0.116 0.000 2.080 309 R HA -0.201 4.139 4.340 0.001 0.000 0.236 309 R C 2.348 178.706 176.300 0.097 0.000 1.137 309 R CA 1.782 57.936 56.100 0.090 0.000 0.943 309 R CB -0.402 29.925 30.300 0.045 0.000 0.846 309 R HN 0.225 nan 8.270 nan 0.000 0.431 310 R N -0.635 119.917 120.500 0.087 0.000 2.189 310 R HA -0.108 4.232 4.340 0.001 0.000 0.223 310 R C 2.131 178.474 176.300 0.073 0.000 1.092 310 R CA 1.151 57.307 56.100 0.094 0.000 0.989 310 R CB -0.331 30.008 30.300 0.064 0.000 0.876 310 R HN 0.244 nan 8.270 nan 0.000 0.457 311 F N 1.065 120.997 119.950 -0.029 0.000 2.074 311 F HA -0.052 4.475 4.527 0.001 0.000 0.293 311 F C 1.604 177.373 175.800 -0.052 0.000 1.116 311 F CA 1.423 59.387 58.000 -0.061 0.000 1.212 311 F CB -0.100 38.890 39.000 -0.017 0.000 0.998 311 F HN -0.180 nan 8.300 nan 0.000 0.471 312 K N -0.039 120.312 120.400 -0.083 0.000 2.103 312 K HA -0.087 4.234 4.320 0.001 0.000 0.207 312 K C 0.756 177.273 176.600 -0.138 0.000 1.048 312 K CA 1.483 57.663 56.287 -0.178 0.000 0.930 312 K CB -0.467 32.041 32.500 0.013 0.000 0.716 312 K HN 0.179 nan 8.250 nan 0.000 0.444 313 S N 1.072 116.752 115.700 -0.034 0.000 2.835 313 S HA 0.085 4.556 4.470 0.001 0.000 0.194 313 S C 0.808 175.472 174.600 0.107 0.000 1.364 313 S CA -0.498 57.716 58.200 0.024 0.000 1.167 313 S CB 0.809 64.041 63.200 0.053 0.000 1.223 313 S HN 0.244 nan 8.310 nan 0.000 0.512 314 S N 0.237 115.947 115.700 0.018 0.000 2.478 314 S HA 0.129 4.599 4.470 0.001 0.000 0.222 314 S C 0.734 175.432 174.600 0.163 0.000 1.008 314 S CA -0.068 58.167 58.200 0.058 0.000 0.928 314 S CB -0.105 63.011 63.200 -0.140 0.000 0.781 314 S HN 0.374 nan 8.310 nan 0.000 0.518 315 K N 1.620 122.084 120.400 0.107 0.000 2.355 315 K HA 0.235 4.555 4.320 0.001 0.000 0.270 315 K C -0.683 176.036 176.600 0.197 0.000 1.003 315 K CA -0.777 55.584 56.287 0.124 0.000 0.957 315 K CB -0.046 32.486 32.500 0.053 0.000 0.939 315 K HN 0.179 nan 8.250 nan 0.000 0.482 316 F N 3.686 123.667 119.950 0.052 0.000 2.466 316 F HA 0.319 4.846 4.527 0.001 0.000 0.363 316 F C 1.287 177.079 175.800 -0.013 0.000 1.109 316 F CA 0.874 58.899 58.000 0.041 0.000 1.161 316 F CB -0.097 38.928 39.000 0.042 0.000 1.117 316 F HN 0.766 nan 8.300 nan 0.000 0.539 317 G N 3.375 111.790 108.800 -0.641 0.000 2.225 317 G HA2 -0.310 3.650 3.960 0.001 0.000 0.254 317 G HA3 -0.310 3.650 3.960 0.001 0.000 0.254 317 G C 0.386 175.122 174.900 -0.273 0.000 0.988 317 G CA -0.044 44.711 45.100 -0.575 0.000 0.625 317 G HN 0.926 nan 8.290 nan 0.000 0.527 318 C N 0.164 119.366 119.300 -0.164 0.000 2.422 318 C HA 0.823 5.283 4.460 0.001 0.000 0.364 318 C C 1.725 176.663 174.990 -0.085 0.000 1.251 318 C CA -0.103 58.859 59.018 -0.093 0.000 2.441 318 C CB 0.821 28.536 27.740 -0.041 0.000 2.393 318 C HN 0.492 nan 8.230 nan 0.000 0.606 319 R N 0.799 121.267 120.500 -0.054 0.000 2.549 319 R HA 0.198 4.538 4.340 0.001 0.000 0.344 319 R C -0.702 175.593 176.300 -0.009 0.000 0.979 319 R CA -0.358 55.721 56.100 -0.036 0.000 1.140 319 R CB 0.184 30.464 30.300 -0.033 0.000 1.377 319 R HN 0.709 nan 8.270 nan 0.000 0.541 320 D N 1.275 121.670 120.400 -0.010 0.000 2.354 320 D HA 0.191 4.831 4.640 0.001 0.000 0.247 320 D C -2.025 174.274 176.300 -0.002 0.000 1.138 320 D CA -1.710 52.289 54.000 -0.002 0.000 0.958 320 D CB 0.662 41.458 40.800 -0.006 0.000 1.144 320 D HN -0.199 nan 8.370 nan 0.000 0.458 321 P HA 0.097 nan 4.420 nan 0.000 0.286 321 P C 0.320 177.598 177.300 -0.037 0.000 1.278 321 P CA -0.110 62.979 63.100 -0.018 0.000 0.785 321 P CB 0.632 32.331 31.700 -0.001 0.000 1.269 322 V N -3.635 116.242 119.914 -0.062 0.000 4.245 322 V HA -0.045 4.075 4.120 0.001 0.000 0.202 322 V C 0.383 176.411 176.094 -0.109 0.000 1.565 322 V CA 0.105 62.366 62.300 -0.064 0.000 0.796 322 V CB -0.532 31.255 31.823 -0.061 0.000 0.857 322 V HN 0.315 nan 8.190 nan 0.000 0.546 323 R N 1.278 121.649 120.500 -0.216 0.000 2.459 323 R HA 0.314 4.655 4.340 0.001 0.000 0.301 323 R C 0.600 176.754 176.300 -0.242 0.000 1.286 323 R CA 0.948 56.843 56.100 -0.341 0.000 1.046 323 R CB 0.423 30.235 30.300 -0.814 0.000 1.071 323 R HN 0.567 nan 8.270 nan 0.000 0.512 324 T N 0.202 114.701 114.554 -0.092 0.000 2.985 324 T HA -0.013 4.337 4.350 0.001 0.000 0.254 324 T C 0.523 175.256 174.700 0.054 0.000 1.021 324 T CA -0.255 61.839 62.100 -0.010 0.000 0.957 324 T CB 0.089 68.997 68.868 0.068 0.000 1.047 324 T HN 0.347 nan 8.240 nan 0.000 0.511 325 N N 1.590 120.326 118.700 0.059 0.000 2.400 325 N HA 0.136 4.877 4.740 0.001 0.000 0.267 325 N C -0.075 175.557 175.510 0.204 0.000 1.208 325 N CA -0.635 52.501 53.050 0.143 0.000 0.951 325 N CB -0.291 38.259 38.487 0.105 0.000 1.227 325 N HN 0.082 nan 8.380 nan 0.000 0.488 326 F N 1.031 121.096 119.950 0.193 0.000 2.771 326 F HA -0.012 4.515 4.527 0.001 0.000 0.299 326 F C 1.644 177.495 175.800 0.086 0.000 1.177 326 F CA 0.271 58.327 58.000 0.094 0.000 1.450 326 F CB 0.145 39.075 39.000 -0.117 0.000 1.114 326 F HN 0.476 nan 8.300 nan 0.000 0.587 327 D N 0.258 120.802 120.400 0.241 0.000 2.221 327 D HA -0.162 4.478 4.640 0.001 0.000 0.204 327 D C 2.210 178.609 176.300 0.165 0.000 0.982 327 D CA 1.294 55.393 54.000 0.165 0.000 0.857 327 D CB -0.090 40.784 40.800 0.124 0.000 0.934 327 D HN 0.324 nan 8.370 nan 0.000 0.475 328 A N -0.392 122.568 122.820 0.234 0.000 2.218 328 A HA 0.039 4.359 4.320 0.001 0.000 0.209 328 A C 1.717 179.442 177.584 0.236 0.000 1.168 328 A CA -0.262 51.915 52.037 0.233 0.000 0.804 328 A CB -0.542 18.620 19.000 0.269 0.000 0.834 328 A HN 0.097 nan 8.150 nan 0.000 0.482 329 F N 2.210 122.090 119.950 -0.117 0.000 2.063 329 F HA -0.162 4.365 4.527 0.001 0.000 0.298 329 F C -0.272 175.426 175.800 -0.170 0.000 1.109 329 F CA 2.674 60.388 58.000 -0.477 0.000 1.212 329 F CB -0.400 38.283 39.000 -0.529 0.000 0.973 329 F HN 0.236 nan 8.300 nan 0.000 0.480 330 P HA -0.082 nan 4.420 nan 0.000 0.233 330 P C 0.339 177.608 177.300 -0.052 0.000 1.167 330 P CA 1.331 64.414 63.100 -0.029 0.000 0.770 330 P CB -0.077 31.626 31.700 0.004 0.000 0.837 331 D N -0.152 120.238 120.400 -0.017 0.000 2.349 331 D HA 0.005 4.645 4.640 0.001 0.000 0.215 331 D C 1.452 177.738 176.300 -0.023 0.000 1.016 331 D CA 0.644 54.639 54.000 -0.010 0.000 0.870 331 D CB 0.262 41.073 40.800 0.018 0.000 0.917 331 D HN 0.195 nan 8.370 nan 0.000 0.524 332 K N -0.154 120.213 120.400 -0.055 0.000 2.450 332 K HA 0.214 4.534 4.320 0.001 0.000 0.206 332 K C 0.177 176.680 176.600 -0.162 0.000 1.148 332 K CA 0.075 56.325 56.287 -0.062 0.000 1.014 332 K CB 2.212 34.756 32.500 0.073 0.000 0.966 332 K HN -0.066 nan 8.250 nan 0.000 0.566 333 V N 1.000 120.733 119.914 -0.301 0.000 2.823 333 V HA 0.710 4.830 4.120 0.001 0.000 0.312 333 V C -0.982 175.032 176.094 -0.135 0.000 1.072 333 V CA -1.279 60.855 62.300 -0.276 0.000 0.937 333 V CB 1.926 33.322 31.823 -0.710 0.000 1.013 333 V HN 0.139 nan 8.190 nan 0.000 0.430 334 A N 4.886 127.686 122.820 -0.033 0.000 2.343 334 A HA 0.900 5.221 4.320 0.001 0.000 0.308 334 A C -1.036 176.577 177.584 0.048 0.000 1.092 334 A CA -0.452 51.573 52.037 -0.020 0.000 0.751 334 A CB 0.936 19.810 19.000 -0.210 0.000 1.203 334 A HN 0.734 nan 8.150 nan 0.000 0.452 335 I N 1.516 122.143 120.570 0.095 0.000 2.378 335 I HA 0.366 4.537 4.170 0.001 0.000 0.291 335 I C -0.360 175.838 176.117 0.135 0.000 0.992 335 I CA -0.631 60.734 61.300 0.109 0.000 1.154 335 I CB 2.125 40.164 38.000 0.066 0.000 1.315 335 I HN 0.667 nan 8.210 nan 0.000 0.448 336 Q N 6.941 126.819 119.800 0.130 0.000 2.425 336 Q HA 0.457 4.797 4.340 0.001 0.000 0.254 336 Q C -1.405 174.630 176.000 0.059 0.000 1.032 336 Q CA -0.291 55.616 55.803 0.174 0.000 0.798 336 Q CB 1.045 29.941 28.738 0.263 0.000 1.210 336 Q HN 0.564 nan 8.270 nan 0.000 0.491 337 L N 3.439 124.732 121.223 0.117 0.000 2.312 337 L HA 0.375 4.716 4.340 0.001 0.000 0.287 337 L C 0.204 177.180 176.870 0.177 0.000 1.091 337 L CA -0.608 54.304 54.840 0.120 0.000 0.846 337 L CB 0.189 42.326 42.059 0.130 0.000 1.219 337 L HN 0.502 nan 8.230 nan 0.000 0.439 338 N N 3.990 122.737 118.700 0.079 0.000 2.719 338 N HA 0.139 4.879 4.740 0.001 0.000 0.243 338 N C -0.524 175.136 175.510 0.250 0.000 1.104 338 N CA 0.275 53.402 53.050 0.128 0.000 0.981 338 N CB -0.016 38.367 38.487 -0.172 0.000 1.290 338 N HN 0.545 nan 8.380 nan 0.000 0.513 339 D N -0.691 119.935 120.400 0.377 0.000 7.203 339 D HA -0.197 4.443 4.640 0.001 0.000 0.324 339 D C 0.448 176.958 176.300 0.350 0.000 2.597 339 D CA 1.370 55.626 54.000 0.427 0.000 1.714 339 D CB -0.488 40.532 40.800 0.366 0.000 1.143 339 D HN 0.499 nan 8.370 nan 0.000 1.213 340 T N -2.533 112.116 114.554 0.157 0.000 3.148 340 T HA 0.022 4.373 4.350 0.001 0.000 0.253 340 T C 1.485 176.170 174.700 -0.024 0.000 1.134 340 T CA 1.553 63.638 62.100 -0.025 0.000 1.051 340 T CB -0.369 68.424 68.868 -0.126 0.000 0.959 340 T HN 0.467 nan 8.240 nan 0.000 0.525 341 H N 2.452 121.611 119.070 0.149 0.000 2.421 341 H HA 0.057 4.613 4.556 0.001 0.000 0.298 341 H C -0.998 174.412 175.328 0.137 0.000 1.087 341 H CA 1.160 57.306 56.048 0.163 0.000 1.330 341 H CB -0.907 28.946 29.762 0.151 0.000 1.388 341 H HN 0.445 nan 8.280 nan 0.000 0.526 342 P HA 0.086 nan 4.420 nan 0.000 0.254 342 P C 0.594 177.930 177.300 0.061 0.000 1.494 342 P CA 0.299 63.472 63.100 0.121 0.000 0.961 342 P CB 0.354 32.119 31.700 0.109 0.000 1.493 343 S N -0.308 115.419 115.700 0.045 0.000 2.419 343 S HA -0.111 4.360 4.470 0.001 0.000 0.233 343 S C 1.707 176.303 174.600 -0.006 0.000 1.016 343 S CA 0.786 58.975 58.200 -0.018 0.000 0.974 343 S CB -1.427 61.735 63.200 -0.064 0.000 0.786 343 S HN 0.167 nan 8.310 nan 0.000 0.492 344 L N 1.066 122.298 121.223 0.014 0.000 2.549 344 L HA -0.003 4.337 4.340 0.001 0.000 0.230 344 L C 2.805 179.679 176.870 0.007 0.000 1.162 344 L CA 0.648 55.491 54.840 0.006 0.000 0.834 344 L CB -0.733 41.333 42.059 0.012 0.000 0.947 344 L HN 0.468 nan 8.230 nan 0.000 0.452 345 A N 0.261 123.072 122.820 -0.014 0.000 2.067 345 A HA -0.121 4.199 4.320 0.001 0.000 0.219 345 A C 2.130 179.703 177.584 -0.019 0.000 1.158 345 A CA 1.125 53.142 52.037 -0.033 0.000 0.661 345 A CB -0.338 18.638 19.000 -0.041 0.000 0.801 345 A HN 0.389 nan 8.150 nan 0.000 0.452 346 I N 0.398 120.964 120.570 -0.006 0.000 2.141 346 I HA -0.094 4.076 4.170 0.001 0.000 0.236 346 I C -0.234 175.910 176.117 0.045 0.000 1.071 346 I CA 1.012 62.316 61.300 0.006 0.000 1.345 346 I CB -1.337 36.671 38.000 0.013 0.000 1.066 346 I HN 0.177 nan 8.210 nan 0.000 0.406 347 P HA -0.253 nan 4.420 nan 0.000 0.216 347 P C 1.378 178.731 177.300 0.088 0.000 1.157 347 P CA 1.940 65.092 63.100 0.086 0.000 0.880 347 P CB -0.034 31.752 31.700 0.142 0.000 0.791 348 E N -0.086 120.218 120.200 0.173 0.000 2.058 348 E HA -0.195 4.156 4.350 0.001 0.000 0.194 348 E C 2.036 178.627 176.600 -0.016 0.000 0.997 348 E CA 0.945 57.438 56.400 0.155 0.000 0.801 348 E CB -1.242 28.550 29.700 0.154 0.000 0.746 348 E HN 0.055 nan 8.360 nan 0.000 0.450 349 L N -0.219 120.965 121.223 -0.066 0.000 2.046 349 L HA -0.140 4.201 4.340 0.001 0.000 0.208 349 L C 2.082 178.830 176.870 -0.204 0.000 1.077 349 L CA 1.765 56.517 54.840 -0.147 0.000 0.747 349 L CB -0.553 41.426 42.059 -0.133 0.000 0.896 349 L HN 0.234 nan 8.230 nan 0.000 0.432 350 M N -0.562 118.931 119.600 -0.178 0.000 2.106 350 M HA -0.240 4.240 4.480 0.001 0.000 0.259 350 M C 2.452 178.595 176.300 -0.261 0.000 1.068 350 M CA 1.722 56.856 55.300 -0.277 0.000 1.100 350 M CB -1.356 31.063 32.600 -0.303 0.000 1.351 350 M HN 0.364 nan 8.290 nan 0.000 0.404 351 R N -0.135 120.254 120.500 -0.186 0.000 2.075 351 R HA -0.102 4.239 4.340 0.001 0.000 0.232 351 R C 2.055 178.271 176.300 -0.139 0.000 1.126 351 R CA 1.436 57.435 56.100 -0.168 0.000 0.963 351 R CB -0.094 30.078 30.300 -0.213 0.000 0.858 351 R HN 0.225 nan 8.270 nan 0.000 0.435 352 V N 1.555 121.385 119.914 -0.141 0.000 2.270 352 V HA -0.233 3.887 4.120 0.001 0.000 0.245 352 V C 2.485 178.435 176.094 -0.241 0.000 1.043 352 V CA 1.606 63.818 62.300 -0.148 0.000 1.014 352 V CB -0.434 31.303 31.823 -0.144 0.000 0.645 352 V HN 0.344 nan 8.190 nan 0.000 0.447 353 L N -0.411 120.602 121.223 -0.350 0.000 2.079 353 L HA -0.179 4.161 4.340 0.001 0.000 0.210 353 L C 2.328 179.000 176.870 -0.329 0.000 1.081 353 L CA 1.336 55.889 54.840 -0.478 0.000 0.752 353 L CB -0.523 41.220 42.059 -0.527 0.000 0.896 353 L HN 0.251 nan 8.230 nan 0.000 0.433 354 V N -0.982 118.797 119.914 -0.226 0.000 2.492 354 V HA -0.122 3.998 4.120 0.001 0.000 0.241 354 V C 1.778 177.831 176.094 -0.069 0.000 1.041 354 V CA 1.366 63.596 62.300 -0.117 0.000 1.057 354 V CB -0.165 31.620 31.823 -0.063 0.000 0.711 354 V HN 0.321 nan 8.190 nan 0.000 0.468 355 D N -0.044 120.313 120.400 -0.072 0.000 2.213 355 D HA 0.043 4.684 4.640 0.001 0.000 0.205 355 D C 1.964 178.237 176.300 -0.044 0.000 0.961 355 D CA 0.978 54.951 54.000 -0.045 0.000 0.853 355 D CB 0.209 40.983 40.800 -0.044 0.000 0.967 355 D HN 0.320 nan 8.370 nan 0.000 0.496 356 L N 0.109 121.293 121.223 -0.066 0.000 2.362 356 L HA 0.133 4.474 4.340 0.001 0.000 0.204 356 L C 1.811 178.651 176.870 -0.050 0.000 1.060 356 L CA 0.444 55.258 54.840 -0.045 0.000 0.827 356 L CB 0.088 42.124 42.059 -0.039 0.000 1.027 356 L HN -0.189 nan 8.230 nan 0.000 0.474 357 E N 0.275 120.408 120.200 -0.112 0.000 2.385 357 E HA 0.019 4.370 4.350 0.001 0.000 0.194 357 E C 0.229 176.775 176.600 -0.090 0.000 1.013 357 E CA -0.036 56.292 56.400 -0.121 0.000 0.866 357 E CB 0.242 29.735 29.700 -0.345 0.000 0.832 357 E HN 0.160 nan 8.360 nan 0.000 0.500 358 R N 0.290 120.741 120.500 -0.082 0.000 3.641 358 R HA -0.169 4.171 4.340 0.001 0.000 0.286 358 R C -0.109 176.160 176.300 -0.052 0.000 1.153 358 R CA 0.312 56.386 56.100 -0.044 0.000 0.775 358 R CB -2.420 27.874 30.300 -0.011 0.000 1.215 358 R HN 0.196 nan 8.270 nan 0.000 0.474 359 L N 2.456 123.608 121.223 -0.118 0.000 2.426 359 L HA 0.061 4.401 4.340 0.001 0.000 0.271 359 L C 1.374 178.215 176.870 -0.048 0.000 1.169 359 L CA 0.586 55.356 54.840 -0.116 0.000 0.836 359 L CB 0.513 42.423 42.059 -0.249 0.000 1.112 359 L HN 0.207 nan 8.230 nan 0.000 0.465 360 D N 2.603 123.006 120.400 0.005 0.000 2.350 360 D HA -0.102 4.538 4.640 0.001 0.000 0.249 360 D C 1.158 177.523 176.300 0.107 0.000 1.119 360 D CA -0.560 53.482 54.000 0.071 0.000 0.886 360 D CB 1.142 41.989 40.800 0.079 0.000 1.195 360 D HN 0.611 nan 8.370 nan 0.000 0.437 361 W N 3.117 124.406 121.300 -0.019 0.000 2.262 361 W HA -0.359 4.301 4.660 0.001 0.000 0.349 361 W C 0.970 177.516 176.519 0.044 0.000 1.437 361 W CA 2.446 59.788 57.345 -0.006 0.000 1.392 361 W CB -0.401 29.039 29.460 -0.034 0.000 1.078 361 W HN 0.524 nan 8.180 nan 0.000 0.470 362 D N -0.147 120.448 120.400 0.325 0.000 2.104 362 D HA -0.211 4.429 4.640 0.001 0.000 0.194 362 D C 1.887 178.282 176.300 0.158 0.000 0.994 362 D CA 2.340 56.494 54.000 0.256 0.000 0.830 362 D CB -0.602 40.316 40.800 0.197 0.000 0.959 362 D HN 0.096 nan 8.370 nan 0.000 0.452 363 K N 0.912 121.366 120.400 0.090 0.000 2.211 363 K HA 0.011 4.331 4.320 0.001 0.000 0.203 363 K C 1.687 178.279 176.600 -0.013 0.000 1.050 363 K CA 1.244 57.557 56.287 0.043 0.000 0.945 363 K CB -0.295 32.222 32.500 0.028 0.000 0.732 363 K HN 0.034 nan 8.250 nan 0.000 0.451 364 A N -0.085 122.697 122.820 -0.063 0.000 1.970 364 A HA -0.095 4.226 4.320 0.001 0.000 0.216 364 A C 2.114 179.628 177.584 -0.116 0.000 1.170 364 A CA 1.008 52.941 52.037 -0.174 0.000 0.645 364 A CB -0.932 17.903 19.000 -0.276 0.000 0.816 364 A HN 0.666 nan 8.150 nan 0.000 0.447 365 W N 0.578 121.703 121.300 -0.293 0.000 2.476 365 W HA -0.046 4.614 4.660 0.001 0.000 0.281 365 W C 1.777 178.239 176.519 -0.095 0.000 1.230 365 W CA 1.251 58.457 57.345 -0.232 0.000 1.287 365 W CB 0.039 29.384 29.460 -0.191 0.000 1.108 365 W HN 0.545 nan 8.180 nan 0.000 0.567 366 E N 0.367 120.587 120.200 0.033 0.000 2.110 366 E HA -0.198 4.152 4.350 0.001 0.000 0.193 366 E C 1.981 178.519 176.600 -0.104 0.000 0.988 366 E CA 1.451 57.827 56.400 -0.039 0.000 0.804 366 E CB -0.091 29.629 29.700 0.034 0.000 0.745 366 E HN 0.097 nan 8.360 nan 0.000 0.458 367 V N 0.390 120.248 119.914 -0.094 0.000 2.407 367 V HA -0.182 3.938 4.120 0.001 0.000 0.245 367 V C 2.325 178.351 176.094 -0.115 0.000 1.041 367 V CA 1.925 64.181 62.300 -0.073 0.000 1.040 367 V CB -0.488 31.282 31.823 -0.088 0.000 0.671 367 V HN 0.327 nan 8.190 nan 0.000 0.455 368 T N 0.444 114.870 114.554 -0.213 0.000 2.635 368 T HA -0.207 4.143 4.350 0.001 0.000 0.267 368 T C 1.925 176.434 174.700 -0.317 0.000 1.040 368 T CA 1.980 63.923 62.100 -0.261 0.000 1.156 368 T CB -0.348 68.323 68.868 -0.327 0.000 0.863 368 T HN 0.288 nan 8.240 nan 0.000 0.430 369 V N 1.442 121.044 119.914 -0.520 0.000 2.407 369 V HA -0.159 3.962 4.120 0.001 0.000 0.248 369 V C 2.414 178.439 176.094 -0.115 0.000 1.055 369 V CA 1.536 63.590 62.300 -0.410 0.000 1.049 369 V CB -0.552 30.943 31.823 -0.548 0.000 0.662 369 V HN 0.468 nan 8.190 nan 0.000 0.455 370 K N -0.236 120.078 120.400 -0.142 0.000 2.097 370 K HA -0.113 4.208 4.320 0.001 0.000 0.205 370 K C 2.260 178.769 176.600 -0.152 0.000 1.050 370 K CA 1.751 57.928 56.287 -0.184 0.000 0.938 370 K CB -0.322 32.091 32.500 -0.145 0.000 0.718 370 K HN 0.463 nan 8.250 nan 0.000 0.442 371 T N 0.755 115.296 114.554 -0.021 0.000 2.809 371 T HA -0.041 4.310 4.350 0.001 0.000 0.260 371 T C 1.165 175.945 174.700 0.134 0.000 1.039 371 T CA 0.564 62.696 62.100 0.053 0.000 1.141 371 T CB -0.030 68.912 68.868 0.123 0.000 0.869 371 T HN 0.186 nan 8.240 nan 0.000 0.437 372 C N 2.101 121.468 119.300 0.112 0.000 2.539 372 C HA 0.809 5.269 4.460 0.001 0.000 0.392 372 C C 0.722 175.800 174.990 0.147 0.000 1.269 372 C CA -1.114 57.969 59.018 0.109 0.000 2.250 372 C CB -0.064 27.677 27.740 0.001 0.000 2.584 372 C HN 0.637 nan 8.230 nan 0.000 0.589 373 A N 1.759 124.647 122.820 0.114 0.000 2.539 373 A HA 0.751 5.072 4.320 0.001 0.000 0.296 373 A C -1.684 175.982 177.584 0.137 0.000 1.073 373 A CA -0.352 51.710 52.037 0.042 0.000 0.700 373 A CB 1.146 20.206 19.000 0.100 0.000 1.296 373 A HN 0.841 nan 8.150 nan 0.000 0.405 374 Y N 0.781 121.045 120.300 -0.061 0.000 2.376 374 Y HA 0.692 5.243 4.550 0.001 0.000 0.340 374 Y C -0.567 175.329 175.900 -0.007 0.000 0.965 374 Y CA -0.774 57.301 58.100 -0.042 0.000 1.078 374 Y CB 2.033 40.415 38.460 -0.130 0.000 1.193 374 Y HN 0.582 nan 8.280 nan 0.000 0.452 375 T N 6.480 120.945 114.554 -0.148 0.000 2.792 375 T HA 0.283 4.633 4.350 0.001 0.000 0.280 375 T C -0.897 173.468 174.700 -0.558 0.000 0.990 375 T CA -0.756 61.173 62.100 -0.286 0.000 0.960 375 T CB 0.551 69.436 68.868 0.028 0.000 0.939 375 T HN 0.708 nan 8.240 nan 0.000 0.439 376 N N 1.058 119.370 118.700 -0.646 0.000 2.430 376 N HA 0.279 5.019 4.740 0.001 0.000 0.292 376 N C 0.650 176.050 175.510 -0.184 0.000 1.051 376 N CA -0.524 52.296 53.050 -0.383 0.000 0.917 376 N CB 0.755 39.092 38.487 -0.250 0.000 1.164 376 N HN 0.636 nan 8.380 nan 0.000 0.484 377 H N 0.737 119.899 119.070 0.153 0.000 2.657 377 H HA 0.050 4.607 4.556 0.001 0.000 0.262 377 H C 0.403 175.768 175.328 0.062 0.000 0.965 377 H CA 0.140 56.288 56.048 0.167 0.000 1.184 377 H CB 0.229 30.046 29.762 0.092 0.000 1.443 377 H HN 0.486 nan 8.280 nan 0.000 0.462 378 T N 1.321 115.987 114.554 0.186 0.000 2.906 378 T HA 0.067 4.417 4.350 0.001 0.000 0.320 378 T C 1.653 176.331 174.700 -0.037 0.000 1.088 378 T CA -0.012 62.119 62.100 0.051 0.000 1.120 378 T CB 0.756 69.668 68.868 0.074 0.000 1.000 378 T HN -0.057 nan 8.240 nan 0.000 0.550 379 V N 4.335 124.159 119.914 -0.150 0.000 2.326 379 V HA 0.192 4.312 4.120 0.001 0.000 0.238 379 V C 1.326 177.387 176.094 -0.055 0.000 1.038 379 V CA 0.727 62.929 62.300 -0.163 0.000 1.032 379 V CB -0.696 31.006 31.823 -0.202 0.000 0.675 379 V HN 0.689 nan 8.190 nan 0.000 0.467 380 L N 2.590 123.761 121.223 -0.086 0.000 2.410 380 L HA 0.163 4.503 4.340 0.001 0.000 0.273 380 L C -0.888 175.957 176.870 -0.041 0.000 1.152 380 L CA -1.292 53.504 54.840 -0.073 0.000 0.855 380 L CB 0.249 42.248 42.059 -0.101 0.000 1.129 380 L HN 0.136 nan 8.230 nan 0.000 0.463 381 P HA -0.225 nan 4.420 nan 0.000 0.217 381 P C 0.934 178.224 177.300 -0.018 0.000 1.151 381 P CA 1.341 64.432 63.100 -0.015 0.000 0.849 381 P CB 0.355 32.047 31.700 -0.013 0.000 0.787 382 E N 0.397 120.578 120.200 -0.033 0.000 2.086 382 E HA -0.187 4.163 4.350 0.001 0.000 0.200 382 E C 2.310 178.884 176.600 -0.044 0.000 1.012 382 E CA 2.042 58.419 56.400 -0.038 0.000 0.812 382 E CB -1.319 28.353 29.700 -0.046 0.000 0.743 382 E HN 0.293 nan 8.360 nan 0.000 0.453 383 A N 0.715 123.509 122.820 -0.044 0.000 1.968 383 A HA -0.014 4.306 4.320 0.001 0.000 0.217 383 A C 0.921 178.484 177.584 -0.035 0.000 1.169 383 A CA 0.273 52.288 52.037 -0.037 0.000 0.638 383 A CB -0.563 18.421 19.000 -0.026 0.000 0.812 383 A HN 0.165 nan 8.150 nan 0.000 0.446 384 L N 0.782 121.995 121.223 -0.017 0.000 2.543 384 L HA -0.000 4.340 4.340 0.001 0.000 0.285 384 L C 0.617 177.416 176.870 -0.117 0.000 1.236 384 L CA 0.104 54.929 54.840 -0.024 0.000 0.871 384 L CB 0.001 42.074 42.059 0.023 0.000 1.121 384 L HN 0.480 nan 8.230 nan 0.000 0.501 385 E N 3.579 123.675 120.200 -0.175 0.000 2.266 385 E HA 0.425 4.776 4.350 0.001 0.000 0.277 385 E C -0.852 175.533 176.600 -0.358 0.000 1.018 385 E CA -0.654 55.554 56.400 -0.320 0.000 0.840 385 E CB 0.956 30.450 29.700 -0.343 0.000 1.082 385 E HN 0.464 nan 8.360 nan 0.000 0.395 386 R N 3.486 123.686 120.500 -0.500 0.000 2.604 386 R HA 0.346 4.686 4.340 0.001 0.000 0.281 386 R C -1.619 174.380 176.300 -0.501 0.000 1.020 386 R CA -0.652 55.230 56.100 -0.363 0.000 0.899 386 R CB 1.391 31.570 30.300 -0.201 0.000 1.205 386 R HN 0.510 nan 8.270 nan 0.000 0.450 387 W N 3.695 124.962 121.300 -0.055 0.000 2.632 387 W HA 0.378 5.038 4.660 0.001 0.000 0.328 387 W C -2.023 174.455 176.519 -0.069 0.000 1.044 387 W CA -2.250 55.056 57.345 -0.064 0.000 1.225 387 W CB 1.580 30.993 29.460 -0.078 0.000 1.396 387 W HN 0.281 nan 8.180 nan 0.000 0.499 388 P HA -0.095 nan 4.420 nan 0.000 0.261 388 P C 0.876 178.171 177.300 -0.009 0.000 1.203 388 P CA 0.461 63.593 63.100 0.053 0.000 0.767 388 P CB 0.818 32.523 31.700 0.009 0.000 0.785 389 V N 2.498 122.457 119.914 0.076 0.000 2.527 389 V HA -0.330 3.790 4.120 0.001 0.000 0.255 389 V C 2.195 178.332 176.094 0.071 0.000 1.081 389 V CA 2.305 64.643 62.300 0.064 0.000 1.092 389 V CB -2.371 29.528 31.823 0.126 0.000 0.673 389 V HN 0.643 nan 8.190 nan 0.000 0.470 390 H N -0.093 119.026 119.070 0.081 0.000 2.387 390 H HA -0.089 4.468 4.556 0.001 0.000 0.299 390 H C 1.994 177.362 175.328 0.066 0.000 1.090 390 H CA 1.838 57.931 56.048 0.074 0.000 1.332 390 H CB -0.619 29.187 29.762 0.074 0.000 1.386 390 H HN 0.468 nan 8.280 nan 0.000 0.516 391 L N 0.736 121.748 121.223 -0.351 0.000 2.056 391 L HA -0.014 4.326 4.340 0.001 0.000 0.207 391 L C 2.096 178.886 176.870 -0.133 0.000 1.078 391 L CA 1.316 56.029 54.840 -0.213 0.000 0.749 391 L CB -0.584 41.292 42.059 -0.305 0.000 0.901 391 L HN 0.424 nan 8.230 nan 0.000 0.433 392 L N -0.570 120.569 121.223 -0.140 0.000 2.093 392 L HA -0.178 4.162 4.340 0.001 0.000 0.208 392 L C 2.576 179.381 176.870 -0.109 0.000 1.085 392 L CA 1.591 56.334 54.840 -0.161 0.000 0.755 392 L CB -0.580 41.391 42.059 -0.147 0.000 0.904 392 L HN 0.446 nan 8.230 nan 0.000 0.435 393 E N -0.252 119.927 120.200 -0.035 0.000 2.072 393 E HA -0.188 4.162 4.350 0.001 0.000 0.191 393 E C 1.982 178.611 176.600 0.049 0.000 0.985 393 E CA 1.611 58.019 56.400 0.013 0.000 0.801 393 E CB 0.156 29.902 29.700 0.076 0.000 0.750 393 E HN 0.337 nan 8.360 nan 0.000 0.452 394 T N 0.984 115.587 114.554 0.083 0.000 2.777 394 T HA -0.116 4.235 4.350 0.001 0.000 0.266 394 T C 1.670 176.477 174.700 0.178 0.000 1.040 394 T CA 0.980 63.180 62.100 0.166 0.000 1.141 394 T CB -0.103 68.886 68.868 0.202 0.000 0.868 394 T HN 0.086 nan 8.240 nan 0.000 0.444 395 L N -0.172 121.041 121.223 -0.016 0.000 2.202 395 L HA 0.378 4.719 4.340 0.001 0.000 0.205 395 L C 0.422 177.209 176.870 -0.138 0.000 1.083 395 L CA 1.510 56.204 54.840 -0.244 0.000 0.790 395 L CB 0.135 42.007 42.059 -0.312 0.000 0.942 395 L HN 0.169 nan 8.230 nan 0.000 0.452 396 L N 0.742 121.865 121.223 -0.167 0.000 2.574 396 L HA 0.284 4.624 4.340 0.001 0.000 0.258 396 L C -1.690 175.011 176.870 -0.281 0.000 1.520 396 L CA -0.797 53.877 54.840 -0.276 0.000 0.775 396 L CB 0.887 42.667 42.059 -0.465 0.000 1.028 396 L HN -0.067 nan 8.230 nan 0.000 0.516 397 P HA -0.211 nan 4.420 nan 0.000 0.216 397 P C 1.399 178.515 177.300 -0.306 0.000 1.150 397 P CA 1.100 64.091 63.100 -0.181 0.000 0.837 397 P CB 0.315 31.984 31.700 -0.051 0.000 0.786 398 R N -0.494 119.625 120.500 -0.635 0.000 2.148 398 R HA -0.106 4.234 4.340 0.001 0.000 0.223 398 R C 2.267 178.232 176.300 -0.558 0.000 1.088 398 R CA 1.279 57.002 56.100 -0.629 0.000 0.985 398 R CB -0.924 28.791 30.300 -0.975 0.000 0.880 398 R HN 0.373 nan 8.270 nan 0.000 0.451 399 H N -0.498 118.288 119.070 -0.474 0.000 2.372 399 H HA -0.078 4.479 4.556 0.001 0.000 0.301 399 H C 1.683 176.857 175.328 -0.257 0.000 1.065 399 H CA 1.214 57.064 56.048 -0.331 0.000 1.364 399 H CB -0.073 29.468 29.762 -0.368 0.000 1.406 399 H HN 0.006 nan 8.280 nan 0.000 0.521 400 L N 1.071 122.191 121.223 -0.172 0.000 2.083 400 L HA -0.189 4.152 4.340 0.001 0.000 0.209 400 L C 1.864 178.571 176.870 -0.272 0.000 1.083 400 L CA 1.562 56.234 54.840 -0.281 0.000 0.752 400 L CB -0.552 41.357 42.059 -0.249 0.000 0.899 400 L HN 0.295 nan 8.230 nan 0.000 0.433 401 Q N -0.531 119.219 119.800 -0.084 0.000 2.030 401 Q HA -0.241 4.100 4.340 0.001 0.000 0.204 401 Q C 2.293 178.333 176.000 0.067 0.000 0.986 401 Q CA 2.271 58.112 55.803 0.064 0.000 0.843 401 Q CB -0.334 28.441 28.738 0.061 0.000 0.904 401 Q HN 0.560 nan 8.270 nan 0.000 0.420 402 I N 0.404 120.998 120.570 0.040 0.000 2.361 402 I HA -0.262 3.908 4.170 0.001 0.000 0.251 402 I C 2.199 178.392 176.117 0.127 0.000 1.133 402 I CA 0.915 62.325 61.300 0.184 0.000 1.413 402 I CB -0.175 37.882 38.000 0.094 0.000 1.073 402 I HN 0.204 nan 8.210 nan 0.000 0.424 403 I N -0.479 120.078 120.570 -0.022 0.000 2.315 403 I HA -0.301 3.869 4.170 0.001 0.000 0.248 403 I C 2.392 178.496 176.117 -0.022 0.000 1.117 403 I CA 1.382 62.645 61.300 -0.062 0.000 1.404 403 I CB -0.281 37.611 38.000 -0.179 0.000 1.071 403 I HN 0.143 nan 8.210 nan 0.000 0.419 404 Y N 0.747 121.061 120.300 0.023 0.000 2.133 404 Y HA -0.271 4.280 4.550 0.001 0.000 0.287 404 Y C 2.605 178.485 175.900 -0.033 0.000 1.134 404 Y CA 1.555 59.655 58.100 -0.000 0.000 1.133 404 Y CB -0.842 37.606 38.460 -0.019 0.000 0.987 404 Y HN 0.162 nan 8.280 nan 0.000 0.502 405 E N 0.406 120.660 120.200 0.090 0.000 2.153 405 E HA -0.153 4.197 4.350 0.001 0.000 0.194 405 E C 2.056 178.623 176.600 -0.054 0.000 0.988 405 E CA 1.113 57.438 56.400 -0.126 0.000 0.811 405 E CB -0.536 28.860 29.700 -0.507 0.000 0.746 405 E HN 0.477 nan 8.360 nan 0.000 0.466 406 I N 0.793 121.410 120.570 0.077 0.000 2.163 406 I HA -0.316 3.855 4.170 0.001 0.000 0.243 406 I C 2.547 178.670 176.117 0.011 0.000 1.085 406 I CA 1.597 62.860 61.300 -0.061 0.000 1.347 406 I CB -0.414 37.539 38.000 -0.079 0.000 1.044 406 I HN 0.332 nan 8.210 nan 0.000 0.408 407 N N 0.152 118.910 118.700 0.097 0.000 2.216 407 N HA -0.240 4.501 4.740 0.001 0.000 0.183 407 N C 1.996 177.611 175.510 0.175 0.000 1.017 407 N CA 0.757 53.921 53.050 0.189 0.000 0.861 407 N CB 0.082 38.695 38.487 0.210 0.000 0.986 407 N HN 0.391 nan 8.380 nan 0.000 0.428 408 Q N 0.939 120.790 119.800 0.084 0.000 2.030 408 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 408 Q C 1.937 177.949 176.000 0.021 0.000 0.986 408 Q CA 1.365 57.182 55.803 0.022 0.000 0.843 408 Q CB 0.046 28.753 28.738 -0.052 0.000 0.904 408 Q HN 0.392 nan 8.270 nan 0.000 0.420 409 R N -0.651 119.847 120.500 -0.003 0.000 2.115 409 R HA -0.117 4.223 4.340 0.001 0.000 0.230 409 R C 2.213 178.582 176.300 0.116 0.000 1.111 409 R CA 1.061 57.164 56.100 0.006 0.000 0.976 409 R CB -0.378 29.886 30.300 -0.061 0.000 0.870 409 R HN 0.272 nan 8.270 nan 0.000 0.445 410 F N 1.592 121.550 119.950 0.012 0.000 2.051 410 F HA -0.172 4.356 4.527 0.001 0.000 0.296 410 F C 1.874 177.711 175.800 0.061 0.000 1.122 410 F CA 1.283 59.328 58.000 0.076 0.000 1.201 410 F CB -0.341 38.730 39.000 0.119 0.000 0.978 410 F HN -0.158 nan 8.300 nan 0.000 0.472 411 L N 0.841 122.095 121.223 0.052 0.000 2.079 411 L HA -0.248 4.092 4.340 0.001 0.000 0.210 411 L C 1.968 178.784 176.870 -0.090 0.000 1.081 411 L CA 1.786 56.575 54.840 -0.086 0.000 0.752 411 L CB -1.765 40.308 42.059 0.023 0.000 0.896 411 L HN 0.253 nan 8.230 nan 0.000 0.433 412 N N -0.998 117.679 118.700 -0.038 0.000 2.166 412 N HA -0.213 4.528 4.740 0.001 0.000 0.186 412 N C 1.921 177.403 175.510 -0.047 0.000 1.019 412 N CA 0.973 54.001 53.050 -0.035 0.000 0.856 412 N CB -0.143 38.331 38.487 -0.021 0.000 0.993 412 N HN 0.283 nan 8.380 nan 0.000 0.426 413 R N 1.196 121.661 120.500 -0.057 0.000 2.066 413 R HA -0.092 4.248 4.340 0.001 0.000 0.232 413 R C 2.243 178.476 176.300 -0.112 0.000 1.131 413 R CA 1.323 57.390 56.100 -0.056 0.000 0.955 413 R CB -0.298 30.003 30.300 0.002 0.000 0.851 413 R HN 0.244 nan 8.270 nan 0.000 0.432 414 V N -0.683 119.079 119.914 -0.253 0.000 2.515 414 V HA -0.004 4.117 4.120 0.001 0.000 0.250 414 V C 2.131 178.226 176.094 0.002 0.000 1.058 414 V CA 1.702 63.900 62.300 -0.169 0.000 1.064 414 V CB -0.626 30.957 31.823 -0.400 0.000 0.675 414 V HN 0.381 nan 8.190 nan 0.000 0.461 415 A N 0.778 123.568 122.820 -0.049 0.000 1.908 415 A HA -0.012 4.308 4.320 0.001 0.000 0.218 415 A C 2.556 180.143 177.584 0.004 0.000 1.181 415 A CA 2.600 54.631 52.037 -0.011 0.000 0.627 415 A CB -1.200 17.782 19.000 -0.030 0.000 0.818 415 A HN 1.060 nan 8.150 nan 0.000 0.445 416 A N -0.182 122.627 122.820 -0.018 0.000 1.877 416 A HA 0.151 4.471 4.320 0.001 0.000 0.216 416 A C 2.508 180.059 177.584 -0.055 0.000 1.186 416 A CA 2.190 54.209 52.037 -0.029 0.000 0.620 416 A CB -1.070 17.913 19.000 -0.029 0.000 0.822 416 A HN 1.133 nan 8.150 nan 0.000 0.443 417 A N -2.047 120.731 122.820 -0.069 0.000 2.015 417 A HA 0.218 4.538 4.320 0.001 0.000 0.219 417 A C 0.607 177.942 177.584 -0.414 0.000 1.163 417 A CA 0.754 52.655 52.037 -0.226 0.000 0.646 417 A CB -0.352 18.517 19.000 -0.218 0.000 0.806 417 A HN 0.442 nan 8.150 nan 0.000 0.448 418 F N -0.273 119.630 119.950 -0.078 0.000 2.584 418 F HA 0.330 4.857 4.527 0.001 0.000 0.328 418 F C -2.673 173.090 175.800 -0.062 0.000 1.407 418 F CA -2.641 55.316 58.000 -0.072 0.000 1.145 418 F CB 0.970 39.915 39.000 -0.090 0.000 1.440 418 F HN -0.065 nan 8.300 nan 0.000 0.580 419 P HA 0.115 nan 4.420 nan 0.000 0.262 419 P C 1.026 178.345 177.300 0.032 0.000 1.182 419 P CA 1.180 64.294 63.100 0.023 0.000 0.761 419 P CB 0.775 32.471 31.700 -0.006 0.000 0.795 420 G N 2.468 111.279 108.800 0.018 0.000 2.257 420 G HA2 -0.282 3.678 3.960 0.001 0.000 0.267 420 G HA3 -0.282 3.678 3.960 0.001 0.000 0.267 420 G C 0.373 175.279 174.900 0.011 0.000 0.984 420 G CA 0.200 45.306 45.100 0.011 0.000 0.626 420 G HN 0.621 nan 8.290 nan 0.000 0.540 421 D N 1.117 121.533 120.400 0.026 0.000 2.416 421 D HA 0.389 5.029 4.640 0.001 0.000 0.240 421 D C 1.781 178.064 176.300 -0.027 0.000 1.250 421 D CA 0.440 54.442 54.000 0.005 0.000 0.967 421 D CB 0.601 41.420 40.800 0.031 0.000 1.059 421 D HN 0.221 nan 8.370 nan 0.000 0.512 422 V N 2.133 122.031 119.914 -0.026 0.000 2.649 422 V HA -0.096 4.024 4.120 0.001 0.000 0.248 422 V C 2.005 178.074 176.094 -0.041 0.000 1.054 422 V CA 0.759 63.041 62.300 -0.031 0.000 1.073 422 V CB -0.427 31.384 31.823 -0.018 0.000 0.699 422 V HN 0.379 nan 8.190 nan 0.000 0.463 423 D N 0.446 120.820 120.400 -0.042 0.000 2.263 423 D HA -0.186 4.454 4.640 0.001 0.000 0.208 423 D C 2.243 178.497 176.300 -0.077 0.000 0.971 423 D CA 1.131 55.105 54.000 -0.043 0.000 0.867 423 D CB -0.074 40.705 40.800 -0.036 0.000 0.929 423 D HN 0.317 nan 8.370 nan 0.000 0.492 424 R N -0.314 120.112 120.500 -0.124 0.000 2.062 424 R HA -0.031 4.309 4.340 0.001 0.000 0.231 424 R C 2.408 178.605 176.300 -0.172 0.000 1.136 424 R CA 0.923 56.897 56.100 -0.211 0.000 0.948 424 R CB -0.340 29.762 30.300 -0.329 0.000 0.845 424 R HN 0.241 nan 8.270 nan 0.000 0.430 425 L N 0.462 121.612 121.223 -0.121 0.000 2.137 425 L HA -0.240 4.100 4.340 0.001 0.000 0.213 425 L C 2.826 179.680 176.870 -0.026 0.000 1.085 425 L CA 1.442 56.235 54.840 -0.079 0.000 0.760 425 L CB -0.461 41.569 42.059 -0.048 0.000 0.893 425 L HN 0.316 nan 8.230 nan 0.000 0.434 426 R N 0.534 121.023 120.500 -0.019 0.000 2.093 426 R HA -0.089 4.251 4.340 0.001 0.000 0.224 426 R C 2.203 178.531 176.300 0.047 0.000 1.101 426 R CA 1.034 57.146 56.100 0.021 0.000 0.979 426 R CB 0.099 30.407 30.300 0.013 0.000 0.877 426 R HN 0.315 nan 8.270 nan 0.000 0.441 427 R N -0.826 119.680 120.500 0.010 0.000 2.280 427 R HA 0.190 4.530 4.340 0.001 0.000 0.195 427 R C 1.611 177.925 176.300 0.023 0.000 0.935 427 R CA 0.406 56.537 56.100 0.051 0.000 1.033 427 R CB 0.289 30.596 30.300 0.011 0.000 0.964 427 R HN 0.196 nan 8.270 nan 0.000 0.489 428 M N 0.190 119.738 119.600 -0.086 0.000 2.428 428 M HA 0.127 4.608 4.480 0.001 0.000 0.239 428 M C 0.526 176.961 176.300 0.225 0.000 1.121 428 M CA -0.048 55.141 55.300 -0.185 0.000 1.019 428 M CB 0.800 33.131 32.600 -0.449 0.000 1.485 428 M HN -0.058 nan 8.290 nan 0.000 0.484 429 S N 0.392 116.236 115.700 0.239 0.000 2.584 429 S HA 0.135 4.606 4.470 0.001 0.000 0.270 429 S C 0.896 175.754 174.600 0.430 0.000 1.346 429 S CA -0.320 58.066 58.200 0.310 0.000 1.018 429 S CB 0.797 64.126 63.200 0.215 0.000 0.899 429 S HN 0.271 nan 8.310 nan 0.000 0.542 430 L N 3.446 124.873 121.223 0.339 0.000 2.354 430 L HA 0.267 4.608 4.340 0.001 0.000 0.212 430 L C 0.051 177.037 176.870 0.193 0.000 1.091 430 L CA 0.594 55.594 54.840 0.266 0.000 0.828 430 L CB -0.040 42.118 42.059 0.166 0.000 0.973 430 L HN 0.470 nan 8.230 nan 0.000 0.461 431 V N 0.198 120.234 119.914 0.202 0.000 2.348 431 V HA 0.226 4.346 4.120 0.001 0.000 0.270 431 V C 0.276 176.461 176.094 0.152 0.000 1.037 431 V CA -0.971 61.433 62.300 0.173 0.000 0.872 431 V CB 0.675 32.631 31.823 0.222 0.000 1.002 431 V HN 0.150 nan 8.190 nan 0.000 0.464 432 E N 3.788 124.058 120.200 0.118 0.000 2.314 432 E HA 0.544 4.895 4.350 0.001 0.000 0.262 432 E C -0.278 176.377 176.600 0.091 0.000 1.093 432 E CA -0.465 55.996 56.400 0.102 0.000 0.908 432 E CB 1.466 31.208 29.700 0.071 0.000 1.091 432 E HN 0.787 nan 8.360 nan 0.000 0.425 433 E N 0.312 120.559 120.200 0.078 0.000 2.375 433 E HA 0.483 4.833 4.350 0.001 0.000 0.280 433 E C -1.412 175.221 176.600 0.056 0.000 0.972 433 E CA -0.908 55.534 56.400 0.070 0.000 0.782 433 E CB 1.834 31.576 29.700 0.070 0.000 1.229 433 E HN 0.615 nan 8.360 nan 0.000 0.439 434 G N 1.505 110.335 108.800 0.051 0.000 1.873 434 G HA2 0.552 4.513 3.960 0.001 0.000 0.199 434 G HA3 0.552 4.513 3.960 0.001 0.000 0.199 434 G C 0.417 175.342 174.900 0.040 0.000 1.821 434 G CA 0.505 45.629 45.100 0.041 0.000 0.955 434 G HN 1.518 nan 8.290 nan 0.000 0.616 435 A N -0.059 122.784 122.820 0.038 0.000 2.079 435 A HA -0.038 4.283 4.320 0.001 0.000 0.230 435 A C 1.256 178.870 177.584 0.049 0.000 0.537 435 A CA 2.423 54.481 52.037 0.036 0.000 1.134 435 A CB -2.087 16.933 19.000 0.032 0.000 1.423 435 A HN 2.489 nan 8.150 nan 0.000 0.706 436 V N -2.305 117.647 119.914 0.064 0.000 2.483 436 V HA 0.719 4.840 4.120 0.001 0.000 0.297 436 V C -0.279 175.873 176.094 0.097 0.000 1.027 436 V CA -0.250 62.106 62.300 0.095 0.000 0.855 436 V CB 1.595 33.480 31.823 0.103 0.000 0.995 436 V HN 0.714 nan 8.190 nan 0.000 0.424 437 K N 4.288 124.758 120.400 0.117 0.000 2.297 437 K HA 0.586 4.906 4.320 0.001 0.000 0.286 437 K C -0.413 176.260 176.600 0.121 0.000 1.053 437 K CA -0.464 55.891 56.287 0.115 0.000 0.940 437 K CB 0.880 33.455 32.500 0.125 0.000 1.019 437 K HN 0.855 nan 8.250 nan 0.000 0.475 438 R N 3.232 123.791 120.500 0.098 0.000 2.854 438 R HA 0.475 4.815 4.340 0.001 0.000 0.271 438 R C -0.750 175.592 176.300 0.070 0.000 0.994 438 R CA -0.903 55.244 56.100 0.078 0.000 0.945 438 R CB 1.350 31.675 30.300 0.043 0.000 1.194 438 R HN 0.475 nan 8.270 nan 0.000 0.476 439 I N 1.685 122.292 120.570 0.061 0.000 2.359 439 I HA 0.181 4.351 4.170 0.001 0.000 0.294 439 I C -0.142 175.976 176.117 0.001 0.000 0.987 439 I CA -0.394 60.932 61.300 0.043 0.000 1.225 439 I CB 1.429 39.450 38.000 0.035 0.000 1.366 439 I HN 0.595 nan 8.210 nan 0.000 0.466 440 N N 6.742 125.414 118.700 -0.046 0.000 2.589 440 N HA 0.090 4.831 4.740 0.001 0.000 0.232 440 N C 0.786 176.181 175.510 -0.192 0.000 1.015 440 N CA -0.586 52.360 53.050 -0.174 0.000 0.931 440 N CB 0.853 39.135 38.487 -0.342 0.000 1.150 440 N HN 0.375 nan 8.380 nan 0.000 0.512 441 M N 2.180 121.693 119.600 -0.145 0.000 2.267 441 M HA -0.109 4.372 4.480 0.001 0.000 0.263 441 M C 2.135 178.275 176.300 -0.268 0.000 1.063 441 M CA 0.879 56.098 55.300 -0.136 0.000 1.090 441 M CB -1.621 30.945 32.600 -0.057 0.000 1.392 441 M HN 0.583 nan 8.290 nan 0.000 0.422 442 A N -0.559 122.075 122.820 -0.309 0.000 1.930 442 A HA -0.171 4.149 4.320 0.001 0.000 0.217 442 A C 1.999 179.289 177.584 -0.489 0.000 1.175 442 A CA 1.524 53.295 52.037 -0.444 0.000 0.627 442 A CB -1.093 17.785 19.000 -0.203 0.000 0.815 442 A HN 0.622 nan 8.150 nan 0.000 0.443 443 H N -1.459 117.372 119.070 -0.399 0.000 2.357 443 H HA -0.096 4.461 4.556 0.001 0.000 0.301 443 H C 2.094 177.204 175.328 -0.364 0.000 1.082 443 H CA 1.003 56.790 56.048 -0.435 0.000 1.342 443 H CB -0.061 29.678 29.762 -0.038 0.000 1.389 443 H HN 0.427 nan 8.280 nan 0.000 0.511 444 L N 0.868 122.006 121.223 -0.141 0.000 2.013 444 L HA -0.210 4.131 4.340 0.001 0.000 0.212 444 L C 2.273 179.016 176.870 -0.212 0.000 1.073 444 L CA 1.538 56.298 54.840 -0.133 0.000 0.753 444 L CB -0.978 41.031 42.059 -0.084 0.000 0.890 444 L HN 0.321 nan 8.230 nan 0.000 0.432 445 C N -0.368 118.709 119.300 -0.372 0.000 2.403 445 C HA -0.176 4.284 4.460 0.001 0.000 0.277 445 C C 2.730 177.452 174.990 -0.447 0.000 1.248 445 C CA 1.268 59.970 59.018 -0.527 0.000 1.762 445 C CB -1.018 26.038 27.740 -1.139 0.000 2.014 445 C HN 0.635 nan 8.230 nan 0.000 0.486 446 I N 0.715 120.997 120.570 -0.480 0.000 2.406 446 I HA -0.076 4.095 4.170 0.001 0.000 0.249 446 I C 2.691 178.703 176.117 -0.175 0.000 1.122 446 I CA 1.196 62.285 61.300 -0.351 0.000 1.431 446 I CB -0.522 37.139 38.000 -0.565 0.000 1.087 446 I HN 0.230 nan 8.210 nan 0.000 0.424 447 A N 0.916 123.601 122.820 -0.225 0.000 1.877 447 A HA -0.121 4.200 4.320 0.001 0.000 0.216 447 A C 2.303 179.911 177.584 0.039 0.000 1.186 447 A CA 1.962 53.902 52.037 -0.161 0.000 0.620 447 A CB -1.365 17.355 19.000 -0.466 0.000 0.822 447 A HN 0.443 nan 8.150 nan 0.000 0.443 448 G N -1.121 107.662 108.800 -0.029 0.000 2.920 448 G HA2 0.330 4.291 3.960 0.001 0.000 0.208 448 G HA3 0.330 4.291 3.960 0.001 0.000 0.208 448 G C 0.309 175.050 174.900 -0.264 0.000 1.159 448 G CA 0.613 45.551 45.100 -0.270 0.000 0.784 448 G HN 0.387 nan 8.290 nan 0.000 0.535 449 S N 0.311 115.922 115.700 -0.149 0.000 2.472 449 S HA 0.269 4.739 4.470 0.001 0.000 0.303 449 S C 0.872 175.441 174.600 -0.052 0.000 1.099 449 S CA -0.657 57.488 58.200 -0.092 0.000 1.077 449 S CB 1.098 64.252 63.200 -0.077 0.000 1.031 449 S HN 0.538 nan 8.310 nan 0.000 0.487 450 H N 0.486 119.528 119.070 -0.046 0.000 2.556 450 H HA 0.413 4.969 4.556 0.001 0.000 0.268 450 H C 0.072 175.413 175.328 0.022 0.000 0.996 450 H CA 0.350 56.399 56.048 0.002 0.000 1.157 450 H CB -0.063 29.703 29.762 0.005 0.000 1.355 450 H HN 0.524 nan 8.280 nan 0.000 0.597 451 A N 0.818 123.357 122.820 -0.467 0.000 2.517 451 A HA 0.532 4.852 4.320 0.001 0.000 0.297 451 A C -1.226 176.182 177.584 -0.294 0.000 1.050 451 A CA -0.178 51.635 52.037 -0.373 0.000 0.694 451 A CB 1.949 20.672 19.000 -0.463 0.000 1.277 451 A HN 0.363 nan 8.150 nan 0.000 0.400 452 V N 2.955 122.661 119.914 -0.346 0.000 2.841 452 V HA 0.906 5.027 4.120 0.001 0.000 0.310 452 V C -1.492 174.389 176.094 -0.356 0.000 1.090 452 V CA -0.353 61.732 62.300 -0.358 0.000 0.930 452 V CB 2.009 33.558 31.823 -0.457 0.000 1.014 452 V HN 1.412 nan 8.190 nan 0.000 0.425 453 N N 3.717 122.228 118.700 -0.315 0.000 2.396 453 N HA 0.565 5.306 4.740 0.001 0.000 0.275 453 N C -0.499 174.847 175.510 -0.274 0.000 1.218 453 N CA -0.095 52.805 53.050 -0.249 0.000 0.812 453 N CB 2.343 40.670 38.487 -0.267 0.000 1.592 453 N HN 1.008 nan 8.380 nan 0.000 0.480 454 G N -0.701 107.941 108.800 -0.264 0.000 2.488 454 G HA2 0.430 4.390 3.960 0.001 0.000 0.318 454 G HA3 0.430 4.390 3.960 0.001 0.000 0.318 454 G C 0.864 175.682 174.900 -0.137 0.000 1.188 454 G CA -0.616 44.249 45.100 -0.392 0.000 0.944 454 G HN 0.617 nan 8.290 nan 0.000 0.495 455 V N -2.643 117.324 119.914 0.089 0.000 3.577 455 V HA 0.632 4.752 4.120 0.001 0.000 0.294 455 V C 0.661 176.859 176.094 0.174 0.000 1.317 455 V CA 0.269 62.661 62.300 0.153 0.000 1.169 455 V CB -1.338 30.590 31.823 0.176 0.000 1.011 455 V HN 1.409 nan 8.190 nan 0.000 0.426 456 A N -0.591 122.317 122.820 0.147 0.000 2.585 456 A HA 0.555 4.875 4.320 0.001 0.000 0.299 456 A C 0.623 178.253 177.584 0.077 0.000 1.047 456 A CA -0.152 51.959 52.037 0.122 0.000 0.723 456 A CB 0.844 19.923 19.000 0.131 0.000 1.275 456 A HN 0.023 nan 8.150 nan 0.000 0.408 457 R N 0.681 121.209 120.500 0.046 0.000 2.143 457 R HA -0.213 4.128 4.340 0.001 0.000 0.239 457 R C 1.598 177.903 176.300 0.009 0.000 1.126 457 R CA 2.561 58.669 56.100 0.013 0.000 0.927 457 R CB -0.362 29.945 30.300 0.010 0.000 0.860 457 R HN 0.781 nan 8.270 nan 0.000 0.433 458 I N 0.189 120.774 120.570 0.024 0.000 2.118 458 I HA -0.330 3.841 4.170 0.001 0.000 0.241 458 I C 2.510 178.653 176.117 0.043 0.000 1.070 458 I CA 1.714 63.023 61.300 0.016 0.000 1.327 458 I CB -1.902 36.105 38.000 0.011 0.000 1.034 458 I HN 0.472 nan 8.210 nan 0.000 0.405 459 H N 0.950 119.996 119.070 -0.041 0.000 2.289 459 H HA -0.192 4.364 4.556 0.001 0.000 0.294 459 H C 2.392 177.688 175.328 -0.053 0.000 1.095 459 H CA 2.132 58.152 56.048 -0.047 0.000 1.256 459 H CB 0.448 30.191 29.762 -0.032 0.000 1.359 459 H HN 0.255 nan 8.280 nan 0.000 0.487 460 S N 0.443 116.040 115.700 -0.172 0.000 2.356 460 S HA -0.121 4.349 4.470 0.001 0.000 0.223 460 S C 1.917 176.424 174.600 -0.154 0.000 1.032 460 S CA 1.115 59.188 58.200 -0.212 0.000 1.005 460 S CB -0.107 63.013 63.200 -0.134 0.000 0.867 460 S HN 0.461 nan 8.310 nan 0.000 0.449 461 E N 1.091 121.220 120.200 -0.118 0.000 2.153 461 E HA -0.042 4.309 4.350 0.001 0.000 0.194 461 E C 1.933 178.442 176.600 -0.152 0.000 0.988 461 E CA 0.651 56.964 56.400 -0.145 0.000 0.811 461 E CB -0.342 29.300 29.700 -0.096 0.000 0.746 461 E HN 0.539 nan 8.360 nan 0.000 0.466 462 I N 0.639 121.148 120.570 -0.103 0.000 2.394 462 I HA -0.240 3.931 4.170 0.001 0.000 0.251 462 I C 2.315 178.344 176.117 -0.147 0.000 1.136 462 I CA 0.564 61.808 61.300 -0.093 0.000 1.425 462 I CB -0.195 37.789 38.000 -0.027 0.000 1.079 462 I HN 0.064 nan 8.210 nan 0.000 0.425 463 L N 0.554 121.673 121.223 -0.174 0.000 2.017 463 L HA -0.219 4.121 4.340 0.001 0.000 0.208 463 L C 2.531 179.268 176.870 -0.221 0.000 1.073 463 L CA 1.647 56.365 54.840 -0.203 0.000 0.745 463 L CB -0.624 41.414 42.059 -0.035 0.000 0.894 463 L HN 0.191 nan 8.230 nan 0.000 0.432 464 K N -0.249 119.941 120.400 -0.351 0.000 2.097 464 K HA -0.126 4.194 4.320 0.001 0.000 0.205 464 K C 2.112 178.518 176.600 -0.324 0.000 1.050 464 K CA 0.910 56.818 56.287 -0.631 0.000 0.938 464 K CB 0.016 31.874 32.500 -1.071 0.000 0.718 464 K HN 0.096 nan 8.250 nan 0.000 0.442 465 K N -0.015 120.252 120.400 -0.222 0.000 2.186 465 K HA -0.005 4.315 4.320 0.001 0.000 0.202 465 K C 1.968 178.520 176.600 -0.081 0.000 1.052 465 K CA 1.534 57.750 56.287 -0.118 0.000 0.965 465 K CB 0.229 32.672 32.500 -0.095 0.000 0.746 465 K HN 0.409 nan 8.250 nan 0.000 0.457 466 T N -2.597 111.896 114.554 -0.102 0.000 3.451 466 T HA 0.190 4.541 4.350 0.001 0.000 0.201 466 T C 2.044 176.690 174.700 -0.090 0.000 0.965 466 T CA -0.129 61.926 62.100 -0.075 0.000 1.088 466 T CB -0.554 68.271 68.868 -0.073 0.000 1.251 466 T HN -0.062 nan 8.240 nan 0.000 0.325 467 I N 0.889 121.331 120.570 -0.213 0.000 2.145 467 I HA -0.061 4.110 4.170 0.001 0.000 0.244 467 I C 0.961 176.989 176.117 -0.149 0.000 1.075 467 I CA 1.770 62.872 61.300 -0.330 0.000 1.332 467 I CB -0.557 36.922 38.000 -0.867 0.000 1.033 467 I HN 0.187 nan 8.210 nan 0.000 0.410 468 F N 0.896 120.958 119.950 0.186 0.000 2.879 468 F HA 0.325 4.853 4.527 0.001 0.000 0.354 468 F C 1.545 177.477 175.800 0.220 0.000 1.291 468 F CA -1.085 57.116 58.000 0.334 0.000 1.238 468 F CB -0.567 38.674 39.000 0.401 0.000 1.005 468 F HN -0.104 nan 8.300 nan 0.000 0.508 469 K N 1.017 121.542 120.400 0.209 0.000 2.032 469 K HA -0.211 4.110 4.320 0.001 0.000 0.209 469 K C 0.789 177.466 176.600 0.128 0.000 1.048 469 K CA 2.582 58.938 56.287 0.114 0.000 0.927 469 K CB 0.060 32.591 32.500 0.052 0.000 0.712 469 K HN 0.287 nan 8.250 nan 0.000 0.441 470 D N -0.346 120.096 120.400 0.069 0.000 2.149 470 D HA -0.110 4.531 4.640 0.001 0.000 0.201 470 D C 1.616 177.858 176.300 -0.097 0.000 0.972 470 D CA 1.086 55.004 54.000 -0.137 0.000 0.835 470 D CB -0.230 40.367 40.800 -0.337 0.000 0.966 470 D HN 0.176 nan 8.370 nan 0.000 0.476 471 F N -0.140 119.895 119.950 0.142 0.000 2.134 471 F HA -0.148 4.379 4.527 0.001 0.000 0.299 471 F C 2.196 178.182 175.800 0.310 0.000 1.097 471 F CA 0.880 59.049 58.000 0.281 0.000 1.264 471 F CB -0.533 38.720 39.000 0.422 0.000 1.001 471 F HN 0.002 nan 8.300 nan 0.000 0.479 472 Y N 0.826 121.189 120.300 0.105 0.000 2.263 472 Y HA -0.136 4.414 4.550 0.001 0.000 0.292 472 Y C 2.250 178.128 175.900 -0.036 0.000 1.130 472 Y CA 1.524 59.467 58.100 -0.262 0.000 1.179 472 Y CB -0.651 37.288 38.460 -0.868 0.000 0.998 472 Y HN 0.087 nan 8.280 nan 0.000 0.532 473 E N 0.033 120.159 120.200 -0.123 0.000 2.058 473 E HA -0.244 4.106 4.350 0.001 0.000 0.194 473 E C 2.031 178.666 176.600 0.059 0.000 0.997 473 E CA 1.738 58.091 56.400 -0.077 0.000 0.801 473 E CB -0.414 29.319 29.700 0.055 0.000 0.746 473 E HN 0.493 nan 8.360 nan 0.000 0.450 474 L N 0.804 122.129 121.223 0.170 0.000 2.007 474 L HA -0.070 4.271 4.340 0.001 0.000 0.205 474 L C 0.891 177.813 176.870 0.088 0.000 1.073 474 L CA 1.829 56.798 54.840 0.215 0.000 0.744 474 L CB 0.022 42.218 42.059 0.229 0.000 0.898 474 L HN -0.033 nan 8.230 nan 0.000 0.435 475 E N 0.358 120.621 120.200 0.105 0.000 2.405 475 E HA 0.088 4.438 4.350 0.001 0.000 0.214 475 E C -1.663 174.728 176.600 -0.347 0.000 1.101 475 E CA -0.996 55.379 56.400 -0.042 0.000 1.254 475 E CB 0.003 29.792 29.700 0.148 0.000 1.240 475 E HN 0.459 nan 8.360 nan 0.000 0.439 476 P HA -0.266 nan 4.420 nan 0.000 0.218 476 P C 0.820 178.174 177.300 0.090 0.000 1.150 476 P CA 1.534 64.487 63.100 -0.245 0.000 0.841 476 P CB -0.059 31.378 31.700 -0.438 0.000 0.784 477 H N -1.339 117.871 119.070 0.234 0.000 2.563 477 H HA 0.160 4.716 4.556 0.001 0.000 0.272 477 H C 1.631 177.076 175.328 0.194 0.000 1.005 477 H CA 0.450 56.617 56.048 0.199 0.000 1.171 477 H CB -0.892 28.946 29.762 0.126 0.000 1.351 477 H HN 0.152 nan 8.280 nan 0.000 0.602 478 K N -0.133 120.337 120.400 0.117 0.000 2.305 478 K HA 0.070 4.391 4.320 0.001 0.000 0.199 478 K C -0.516 176.017 176.600 -0.112 0.000 1.047 478 K CA 0.113 56.417 56.287 0.029 0.000 0.976 478 K CB 0.201 32.596 32.500 -0.175 0.000 0.765 478 K HN 0.186 nan 8.250 nan 0.000 0.474 479 F N 1.977 121.987 119.950 0.100 0.000 2.420 479 F HA 0.179 4.707 4.527 0.001 0.000 0.352 479 F C 0.461 176.260 175.800 -0.003 0.000 1.108 479 F CA -0.048 57.985 58.000 0.055 0.000 1.162 479 F CB 0.905 39.966 39.000 0.102 0.000 1.118 479 F HN -0.110 nan 8.300 nan 0.000 0.510 480 Q N 1.640 121.459 119.800 0.032 0.000 2.544 480 Q HA 0.387 4.727 4.340 0.001 0.000 0.291 480 Q C -1.422 174.524 176.000 -0.090 0.000 1.068 480 Q CA -1.439 54.336 55.803 -0.047 0.000 0.785 480 Q CB 2.835 31.492 28.738 -0.135 0.000 1.481 480 Q HN 0.557 nan 8.270 nan 0.000 0.430 481 N N 0.401 119.034 118.700 -0.112 0.000 2.272 481 N HA 0.349 5.089 4.740 0.001 0.000 0.305 481 N C -1.727 173.688 175.510 -0.159 0.000 1.103 481 N CA -0.472 52.509 53.050 -0.116 0.000 0.791 481 N CB 1.250 39.695 38.487 -0.071 0.000 1.356 481 N HN 0.259 nan 8.380 nan 0.000 0.486 482 K N 2.035 122.350 120.400 -0.141 0.000 2.740 482 K HA 0.216 4.536 4.320 0.001 0.000 0.246 482 K C -1.155 175.462 176.600 0.029 0.000 1.021 482 K CA -0.500 55.699 56.287 -0.147 0.000 1.021 482 K CB 1.135 33.402 32.500 -0.389 0.000 1.233 482 K HN 0.614 nan 8.250 nan 0.000 0.497 483 T N 2.425 117.016 114.554 0.062 0.000 2.902 483 T HA 0.064 4.414 4.350 0.001 0.000 0.301 483 T C 0.808 175.648 174.700 0.233 0.000 1.012 483 T CA 0.437 62.626 62.100 0.148 0.000 1.151 483 T CB 0.191 69.152 68.868 0.155 0.000 0.946 483 T HN 0.381 nan 8.240 nan 0.000 0.542 484 N N 0.744 119.603 118.700 0.264 0.000 2.231 484 N HA 0.383 5.124 4.740 0.001 0.000 0.223 484 N C 0.379 176.090 175.510 0.336 0.000 1.329 484 N CA 0.082 53.325 53.050 0.322 0.000 0.889 484 N CB 0.319 38.943 38.487 0.228 0.000 1.125 484 N HN 0.771 nan 8.380 nan 0.000 0.447 485 G N -0.786 108.216 108.800 0.337 0.000 2.523 485 G HA2 0.456 4.416 3.960 0.001 0.000 0.291 485 G HA3 0.456 4.416 3.960 0.001 0.000 0.291 485 G C -1.576 173.481 174.900 0.261 0.000 1.450 485 G CA -0.773 44.519 45.100 0.321 0.000 0.790 485 G HN 0.528 nan 8.290 nan 0.000 0.496 486 I N -1.951 118.747 120.570 0.213 0.000 3.023 486 I HA 0.847 5.017 4.170 0.001 0.000 0.312 486 I C 0.313 176.584 176.117 0.257 0.000 1.056 486 I CA -1.240 60.161 61.300 0.169 0.000 1.033 486 I CB 1.944 39.949 38.000 0.008 0.000 1.233 486 I HN 0.453 nan 8.210 nan 0.000 0.462 487 T N 3.127 117.895 114.554 0.357 0.000 2.817 487 T HA 0.416 4.766 4.350 0.001 0.000 0.293 487 T C -1.542 173.298 174.700 0.233 0.000 0.964 487 T CA -1.692 60.565 62.100 0.261 0.000 1.085 487 T CB 0.760 69.748 68.868 0.199 0.000 0.921 487 T HN 0.626 nan 8.240 nan 0.000 0.502 488 P HA -0.030 nan 4.420 nan 0.000 0.222 488 P C 1.004 178.289 177.300 -0.026 0.000 1.147 488 P CA 0.774 63.915 63.100 0.068 0.000 0.790 488 P CB 0.417 32.131 31.700 0.023 0.000 0.780 489 R N -0.153 120.295 120.500 -0.087 0.000 2.046 489 R HA 0.092 4.432 4.340 0.001 0.000 0.223 489 R C 2.780 178.980 176.300 -0.167 0.000 1.179 489 R CA 0.908 56.915 56.100 -0.155 0.000 0.952 489 R CB -0.848 29.369 30.300 -0.138 0.000 0.843 489 R HN -0.030 nan 8.270 nan 0.000 0.439 490 R N -0.119 120.222 120.500 -0.265 0.000 2.096 490 R HA -0.179 4.161 4.340 0.001 0.000 0.240 490 R C 1.404 177.323 176.300 -0.634 0.000 1.139 490 R CA 2.038 57.812 56.100 -0.543 0.000 0.952 490 R CB -0.235 29.567 30.300 -0.829 0.000 0.854 490 R HN 0.321 nan 8.270 nan 0.000 0.436 491 W N -0.509 120.755 121.300 -0.059 0.000 3.047 491 W HA 0.076 4.736 4.660 0.001 0.000 0.250 491 W C 1.403 177.895 176.519 -0.044 0.000 1.314 491 W CA -0.551 56.755 57.345 -0.066 0.000 1.540 491 W CB 0.254 29.680 29.460 -0.056 0.000 1.127 491 W HN 0.245 nan 8.180 nan 0.000 0.679 492 L N -0.806 120.464 121.223 0.079 0.000 2.920 492 L HA 0.128 4.469 4.340 0.001 0.000 0.168 492 L C 2.209 179.094 176.870 0.025 0.000 1.141 492 L CA 1.080 55.966 54.840 0.077 0.000 0.859 492 L CB -1.140 40.996 42.059 0.128 0.000 1.398 492 L HN -0.160 nan 8.230 nan 0.000 0.517 493 V N -0.475 119.437 119.914 -0.004 0.000 2.490 493 V HA -0.180 3.940 4.120 0.001 0.000 0.250 493 V C 2.126 178.199 176.094 -0.036 0.000 1.061 493 V CA 2.237 64.532 62.300 -0.009 0.000 1.064 493 V CB -0.740 31.053 31.823 -0.051 0.000 0.670 493 V HN 0.505 nan 8.190 nan 0.000 0.461 494 L N 0.656 121.823 121.223 -0.092 0.000 2.049 494 L HA -0.063 4.277 4.340 0.001 0.000 0.203 494 L C 2.661 179.456 176.870 -0.125 0.000 1.074 494 L CA 2.104 56.871 54.840 -0.122 0.000 0.749 494 L CB -0.297 41.639 42.059 -0.203 0.000 0.907 494 L HN 0.653 nan 8.230 nan 0.000 0.439 495 C N -1.513 117.691 119.300 -0.161 0.000 2.562 495 C HA 0.126 4.587 4.460 0.001 0.000 0.266 495 C C 1.139 176.091 174.990 -0.064 0.000 1.382 495 C CA -0.384 58.554 59.018 -0.133 0.000 1.742 495 C CB -1.697 25.941 27.740 -0.170 0.000 1.812 495 C HN 0.610 nan 8.230 nan 0.000 0.559 496 N N 1.225 119.904 118.700 -0.034 0.000 2.726 496 N HA 0.185 4.926 4.740 0.001 0.000 0.253 496 N C -1.995 173.522 175.510 0.011 0.000 1.530 496 N CA -0.873 52.172 53.050 -0.007 0.000 0.772 496 N CB 1.343 39.832 38.487 0.004 0.000 1.220 496 N HN 0.183 nan 8.380 nan 0.000 0.508 497 P HA -0.080 nan 4.420 nan 0.000 0.216 497 P C 1.408 178.728 177.300 0.034 0.000 1.150 497 P CA 1.116 64.231 63.100 0.025 0.000 0.837 497 P CB 0.257 31.970 31.700 0.021 0.000 0.786 498 G N 0.565 109.379 108.800 0.024 0.000 2.418 498 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 498 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 498 G C 1.679 176.589 174.900 0.017 0.000 1.158 498 G CA 0.274 45.386 45.100 0.020 0.000 0.771 498 G HN 0.230 nan 8.290 nan 0.000 0.545 499 L N 0.436 121.667 121.223 0.014 0.000 2.072 499 L HA 0.049 4.390 4.340 0.001 0.000 0.205 499 L C 3.275 180.164 176.870 0.031 0.000 1.079 499 L CA 1.197 56.040 54.840 0.005 0.000 0.752 499 L CB -0.303 41.758 42.059 0.004 0.000 0.906 499 L HN 0.327 nan 8.230 nan 0.000 0.436 500 A N -0.598 122.266 122.820 0.074 0.000 1.972 500 A HA -0.276 4.044 4.320 0.001 0.000 0.219 500 A C 2.123 179.790 177.584 0.138 0.000 1.169 500 A CA 1.856 53.987 52.037 0.157 0.000 0.635 500 A CB -0.426 18.686 19.000 0.187 0.000 0.810 500 A HN 0.546 nan 8.150 nan 0.000 0.446 501 E N 0.063 120.314 120.200 0.085 0.000 2.046 501 E HA -0.142 4.209 4.350 0.001 0.000 0.190 501 E C 1.962 178.595 176.600 0.055 0.000 0.982 501 E CA 1.303 57.745 56.400 0.071 0.000 0.800 501 E CB -0.270 29.461 29.700 0.052 0.000 0.756 501 E HN 0.797 nan 8.360 nan 0.000 0.449 502 I N -1.273 119.326 120.570 0.049 0.000 2.315 502 I HA -0.174 3.997 4.170 0.001 0.000 0.248 502 I C 2.179 178.349 176.117 0.089 0.000 1.117 502 I CA 1.033 62.380 61.300 0.078 0.000 1.404 502 I CB -0.365 37.679 38.000 0.074 0.000 1.071 502 I HN 0.050 nan 8.210 nan 0.000 0.419 503 I N 2.048 122.636 120.570 0.030 0.000 2.179 503 I HA -0.230 3.941 4.170 0.001 0.000 0.242 503 I C 3.027 179.041 176.117 -0.171 0.000 1.088 503 I CA 1.473 62.697 61.300 -0.127 0.000 1.357 503 I CB -0.563 37.217 38.000 -0.367 0.000 1.051 503 I HN 0.322 nan 8.210 nan 0.000 0.409 504 A N 1.281 124.089 122.820 -0.020 0.000 1.972 504 A HA -0.219 4.101 4.320 0.001 0.000 0.219 504 A C 2.197 179.800 177.584 0.032 0.000 1.169 504 A CA 1.779 53.880 52.037 0.106 0.000 0.635 504 A CB -0.680 18.444 19.000 0.207 0.000 0.810 504 A HN 0.659 nan 8.150 nan 0.000 0.446 505 E N -0.428 119.773 120.200 0.001 0.000 2.150 505 E HA -0.174 4.176 4.350 0.001 0.000 0.193 505 E C 2.070 178.624 176.600 -0.078 0.000 0.985 505 E CA 1.011 57.401 56.400 -0.016 0.000 0.814 505 E CB -0.246 29.451 29.700 -0.006 0.000 0.752 505 E HN 0.558 nan 8.360 nan 0.000 0.466 506 R N 0.785 121.173 120.500 -0.188 0.000 2.062 506 R HA 0.075 4.416 4.340 0.001 0.000 0.226 506 R C 2.320 178.492 176.300 -0.214 0.000 1.125 506 R CA 1.678 57.573 56.100 -0.342 0.000 0.966 506 R CB -0.087 29.705 30.300 -0.847 0.000 0.861 506 R HN 0.403 nan 8.270 nan 0.000 0.433 507 I N -3.297 117.170 120.570 -0.172 0.000 4.025 507 I HA 0.453 4.623 4.170 0.001 0.000 0.336 507 I C 0.520 176.654 176.117 0.029 0.000 1.390 507 I CA -0.074 61.189 61.300 -0.062 0.000 1.099 507 I CB 0.717 38.669 38.000 -0.079 0.000 1.049 507 I HN 0.202 nan 8.210 nan 0.000 0.394 508 G N 2.306 111.137 108.800 0.052 0.000 2.681 508 G HA2 -0.220 3.740 3.960 0.001 0.000 0.220 508 G HA3 -0.220 3.740 3.960 0.001 0.000 0.220 508 G C -0.019 175.023 174.900 0.237 0.000 1.353 508 G CA 0.156 45.320 45.100 0.107 0.000 0.872 508 G HN 0.466 nan 8.290 nan 0.000 0.557 509 E N 0.028 120.333 120.200 0.174 0.000 2.498 509 E HA 0.137 4.488 4.350 0.001 0.000 0.203 509 E C 1.805 178.362 176.600 -0.071 0.000 1.013 509 E CA 0.349 56.800 56.400 0.085 0.000 0.927 509 E CB 0.443 30.154 29.700 0.017 0.000 1.012 509 E HN 0.659 nan 8.360 nan 0.000 0.482 510 E N 0.432 120.663 120.200 0.052 0.000 2.204 510 E HA -0.217 4.133 4.350 0.001 0.000 0.195 510 E C 1.608 178.202 176.600 -0.010 0.000 0.990 510 E CA 1.129 57.536 56.400 0.013 0.000 0.821 510 E CB -0.354 29.378 29.700 0.053 0.000 0.750 510 E HN 0.476 nan 8.360 nan 0.000 0.477 511 Y N 0.059 120.353 120.300 -0.011 0.000 2.241 511 Y HA -0.227 4.324 4.550 0.001 0.000 0.286 511 Y C 1.813 177.685 175.900 -0.046 0.000 1.166 511 Y CA 0.985 59.074 58.100 -0.019 0.000 1.203 511 Y CB -0.758 37.695 38.460 -0.012 0.000 0.977 511 Y HN -0.028 nan 8.280 nan 0.000 0.529 512 I N 0.914 121.051 120.570 -0.722 0.000 2.335 512 I HA -0.234 3.936 4.170 0.001 0.000 0.251 512 I C 1.583 177.478 176.117 -0.370 0.000 1.129 512 I CA 1.813 62.715 61.300 -0.664 0.000 1.402 512 I CB -0.484 36.972 38.000 -0.908 0.000 1.069 512 I HN 0.456 nan 8.210 nan 0.000 0.424 513 S N -1.844 113.720 115.700 -0.226 0.000 2.663 513 S HA 0.200 4.671 4.470 0.001 0.000 0.243 513 S C 0.099 174.677 174.600 -0.036 0.000 1.009 513 S CA -0.474 57.662 58.200 -0.106 0.000 0.988 513 S CB 0.306 63.482 63.200 -0.041 0.000 0.896 513 S HN 0.299 nan 8.310 nan 0.000 0.502 514 D N 0.630 121.016 120.400 -0.023 0.000 3.118 514 D HA 0.239 4.880 4.640 0.001 0.000 0.259 514 D C 0.293 176.627 176.300 0.055 0.000 1.292 514 D CA -0.329 53.681 54.000 0.017 0.000 0.784 514 D CB 0.200 41.013 40.800 0.022 0.000 1.413 514 D HN 0.079 nan 8.370 nan 0.000 0.583 515 L N 0.859 122.117 121.223 0.057 0.000 2.353 515 L HA 0.033 4.374 4.340 0.001 0.000 0.220 515 L C 1.429 178.342 176.870 0.071 0.000 1.133 515 L CA 1.402 56.301 54.840 0.098 0.000 0.798 515 L CB -0.021 42.093 42.059 0.092 0.000 0.922 515 L HN 0.259 nan 8.230 nan 0.000 0.445 516 D N -0.858 119.563 120.400 0.035 0.000 2.310 516 D HA -0.185 4.455 4.640 0.001 0.000 0.212 516 D C 1.886 178.206 176.300 0.033 0.000 0.965 516 D CA 0.632 54.642 54.000 0.016 0.000 0.879 516 D CB 0.135 40.933 40.800 -0.003 0.000 0.921 516 D HN 0.536 nan 8.370 nan 0.000 0.510 517 Q N 0.043 119.878 119.800 0.058 0.000 2.291 517 Q HA -0.058 4.282 4.340 0.001 0.000 0.206 517 Q C 2.267 178.291 176.000 0.039 0.000 0.976 517 Q CA 0.353 56.192 55.803 0.059 0.000 0.875 517 Q CB 0.028 28.824 28.738 0.097 0.000 0.927 517 Q HN 0.390 nan 8.270 nan 0.000 0.450 518 L N 0.201 121.445 121.223 0.036 0.000 2.349 518 L HA -0.195 4.146 4.340 0.001 0.000 0.220 518 L C 2.165 179.046 176.870 0.018 0.000 1.130 518 L CA 0.889 55.727 54.840 -0.004 0.000 0.791 518 L CB -0.443 41.624 42.059 0.013 0.000 0.918 518 L HN 0.217 nan 8.230 nan 0.000 0.444 519 R N 0.487 121.003 120.500 0.027 0.000 2.200 519 R HA -0.170 4.170 4.340 0.001 0.000 0.234 519 R C 2.082 178.405 176.300 0.039 0.000 1.127 519 R CA 0.983 57.102 56.100 0.032 0.000 0.989 519 R CB -0.226 30.086 30.300 0.020 0.000 0.869 519 R HN 0.441 nan 8.270 nan 0.000 0.459 520 K N 0.700 121.123 120.400 0.037 0.000 2.211 520 K HA -0.105 4.215 4.320 0.001 0.000 0.204 520 K C 1.847 178.524 176.600 0.129 0.000 1.047 520 K CA 0.970 57.295 56.287 0.064 0.000 0.935 520 K CB -0.137 32.398 32.500 0.058 0.000 0.728 520 K HN 0.225 nan 8.250 nan 0.000 0.452 521 L N 0.893 122.167 121.223 0.085 0.000 2.456 521 L HA -0.118 4.223 4.340 0.001 0.000 0.224 521 L C 1.904 178.899 176.870 0.209 0.000 1.148 521 L CA 0.548 55.462 54.840 0.123 0.000 0.825 521 L CB -0.533 41.605 42.059 0.132 0.000 0.937 521 L HN 0.188 nan 8.230 nan 0.000 0.450 522 L N -0.808 120.491 121.223 0.127 0.000 2.275 522 L HA -0.124 4.216 4.340 0.001 0.000 0.215 522 L C 2.562 179.456 176.870 0.040 0.000 1.119 522 L CA 0.663 55.554 54.840 0.086 0.000 0.790 522 L CB -0.395 41.692 42.059 0.047 0.000 0.919 522 L HN 0.214 nan 8.230 nan 0.000 0.443 523 S N -1.011 114.680 115.700 -0.015 0.000 2.423 523 S HA -0.130 4.341 4.470 0.001 0.000 0.231 523 S C 1.011 175.420 174.600 -0.319 0.000 1.014 523 S CA 0.976 59.038 58.200 -0.228 0.000 0.965 523 S CB -0.263 62.662 63.200 -0.457 0.000 0.785 523 S HN 0.401 nan 8.310 nan 0.000 0.495 524 Y N 1.394 121.646 120.300 -0.080 0.000 2.683 524 Y HA 0.279 4.830 4.550 0.001 0.000 0.297 524 Y C 1.657 177.631 175.900 0.123 0.000 1.147 524 Y CA -0.869 57.202 58.100 -0.048 0.000 1.274 524 Y CB -0.733 37.527 38.460 -0.334 0.000 1.143 524 Y HN 0.104 nan 8.280 nan 0.000 0.527 525 V N -2.986 117.036 119.914 0.181 0.000 2.626 525 V HA -0.147 3.973 4.120 0.001 0.000 0.252 525 V C 1.038 177.208 176.094 0.127 0.000 1.067 525 V CA 1.711 64.109 62.300 0.163 0.000 1.081 525 V CB 0.042 31.919 31.823 0.090 0.000 0.686 525 V HN 0.302 nan 8.190 nan 0.000 0.468 526 D N 0.142 120.596 120.400 0.091 0.000 2.402 526 D HA 0.158 4.799 4.640 0.001 0.000 0.216 526 D C 0.034 176.385 176.300 0.085 0.000 1.128 526 D CA 0.084 54.125 54.000 0.069 0.000 0.833 526 D CB 0.452 41.269 40.800 0.029 0.000 0.971 526 D HN 0.575 nan 8.370 nan 0.000 0.503 527 D N 1.138 121.625 120.400 0.146 0.000 2.343 527 D HA -0.002 4.638 4.640 0.001 0.000 0.255 527 D C 1.397 177.796 176.300 0.164 0.000 1.187 527 D CA -0.042 54.054 54.000 0.160 0.000 0.875 527 D CB 1.014 41.981 40.800 0.277 0.000 1.136 527 D HN -0.281 nan 8.370 nan 0.000 0.469 528 E N 3.009 123.273 120.200 0.107 0.000 2.110 528 E HA -0.176 4.175 4.350 0.001 0.000 0.193 528 E C 1.847 178.506 176.600 0.099 0.000 0.988 528 E CA 1.042 57.493 56.400 0.086 0.000 0.804 528 E CB -0.448 29.286 29.700 0.055 0.000 0.745 528 E HN 0.614 nan 8.360 nan 0.000 0.458 529 A N 0.656 123.549 122.820 0.122 0.000 1.877 529 A HA -0.164 4.156 4.320 0.001 0.000 0.216 529 A C 2.104 179.795 177.584 0.179 0.000 1.186 529 A CA 1.159 53.271 52.037 0.125 0.000 0.620 529 A CB -0.740 18.336 19.000 0.126 0.000 0.822 529 A HN 0.234 nan 8.150 nan 0.000 0.443 530 F N 0.755 120.734 119.950 0.048 0.000 2.102 530 F HA -0.129 4.398 4.527 0.001 0.000 0.298 530 F C 2.044 177.857 175.800 0.022 0.000 1.105 530 F CA 1.099 59.112 58.000 0.021 0.000 1.239 530 F CB -0.528 38.504 39.000 0.054 0.000 0.991 530 F HN 0.179 nan 8.300 nan 0.000 0.474 531 I N -0.036 120.595 120.570 0.102 0.000 2.091 531 I HA -0.372 3.798 4.170 0.001 0.000 0.239 531 I C 2.744 178.835 176.117 -0.044 0.000 1.061 531 I CA 1.793 63.088 61.300 -0.008 0.000 1.317 531 I CB -0.673 37.357 38.000 0.050 0.000 1.031 531 I HN 0.048 nan 8.210 nan 0.000 0.401 532 R N 0.909 121.408 120.500 -0.001 0.000 2.127 532 R HA -0.214 4.127 4.340 0.001 0.000 0.238 532 R C 1.608 177.890 176.300 -0.031 0.000 1.134 532 R CA 2.015 58.110 56.100 -0.008 0.000 0.975 532 R CB -0.418 29.891 30.300 0.015 0.000 0.865 532 R HN 0.406 nan 8.270 nan 0.000 0.447 533 D N -0.314 120.058 120.400 -0.047 0.000 2.120 533 D HA -0.077 4.564 4.640 0.001 0.000 0.202 533 D C 2.034 178.247 176.300 -0.146 0.000 0.972 533 D CA 0.952 54.908 54.000 -0.073 0.000 0.837 533 D CB -0.214 40.565 40.800 -0.034 0.000 0.989 533 D HN 0.005 nan 8.370 nan 0.000 0.469 534 V N 1.813 121.557 119.914 -0.283 0.000 2.282 534 V HA -0.297 3.823 4.120 0.001 0.000 0.249 534 V C 2.559 178.574 176.094 -0.132 0.000 1.057 534 V CA 2.055 64.177 62.300 -0.296 0.000 1.032 534 V CB -0.848 30.710 31.823 -0.442 0.000 0.645 534 V HN 0.188 nan 8.190 nan 0.000 0.447 535 A N -0.700 122.064 122.820 -0.094 0.000 1.933 535 A HA -0.274 4.047 4.320 0.001 0.000 0.218 535 A C 2.370 179.931 177.584 -0.039 0.000 1.175 535 A CA 2.223 54.236 52.037 -0.040 0.000 0.628 535 A CB -0.462 18.518 19.000 -0.033 0.000 0.814 535 A HN 0.543 nan 8.150 nan 0.000 0.444 536 K N -0.333 120.039 120.400 -0.046 0.000 2.062 536 K HA -0.045 4.275 4.320 0.001 0.000 0.205 536 K C 1.836 178.417 176.600 -0.031 0.000 1.051 536 K CA 1.368 57.635 56.287 -0.034 0.000 0.941 536 K CB -0.216 32.267 32.500 -0.028 0.000 0.719 536 K HN 0.233 nan 8.250 nan 0.000 0.440 537 V N 1.894 121.785 119.914 -0.039 0.000 2.332 537 V HA -0.252 3.868 4.120 0.001 0.000 0.248 537 V C 2.361 178.442 176.094 -0.021 0.000 1.055 537 V CA 1.921 64.205 62.300 -0.028 0.000 1.038 537 V CB -0.495 31.305 31.823 -0.039 0.000 0.651 537 V HN 0.327 nan 8.190 nan 0.000 0.450 538 K N 0.687 121.072 120.400 -0.024 0.000 2.009 538 K HA -0.242 4.079 4.320 0.001 0.000 0.210 538 K C 2.208 178.784 176.600 -0.040 0.000 1.049 538 K CA 1.989 58.266 56.287 -0.016 0.000 0.929 538 K CB -0.612 31.894 32.500 0.010 0.000 0.714 538 K HN 0.413 nan 8.250 nan 0.000 0.440 539 Q N 1.034 120.806 119.800 -0.046 0.000 2.124 539 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 539 Q C 1.626 177.606 176.000 -0.034 0.000 0.977 539 Q CA 2.047 57.814 55.803 -0.061 0.000 0.850 539 Q CB -0.132 28.577 28.738 -0.050 0.000 0.901 539 Q HN 0.535 nan 8.270 nan 0.000 0.429 540 E N -0.240 119.951 120.200 -0.014 0.000 2.058 540 E HA -0.199 4.151 4.350 0.001 0.000 0.194 540 E C 1.810 178.427 176.600 0.027 0.000 0.997 540 E CA 1.470 57.875 56.400 0.008 0.000 0.801 540 E CB -0.269 29.436 29.700 0.008 0.000 0.746 540 E HN 0.587 nan 8.360 nan 0.000 0.450 541 N N 0.540 119.253 118.700 0.021 0.000 2.244 541 N HA -0.103 4.637 4.740 0.001 0.000 0.183 541 N C 1.580 177.146 175.510 0.092 0.000 1.016 541 N CA 0.665 53.742 53.050 0.046 0.000 0.866 541 N CB 0.085 38.584 38.487 0.019 0.000 0.980 541 N HN 0.054 nan 8.380 nan 0.000 0.430 542 K N 0.330 120.744 120.400 0.023 0.000 2.155 542 K HA 0.000 4.321 4.320 0.001 0.000 0.203 542 K C 1.428 178.131 176.600 0.173 0.000 1.052 542 K CA 0.611 56.908 56.287 0.018 0.000 0.948 542 K CB 0.056 32.280 32.500 -0.459 0.000 0.728 542 K HN 0.096 nan 8.250 nan 0.000 0.448 543 L N 1.784 123.064 121.223 0.095 0.000 2.027 543 L HA -0.119 4.221 4.340 0.001 0.000 0.206 543 L C 2.404 179.363 176.870 0.149 0.000 1.074 543 L CA 1.690 56.598 54.840 0.114 0.000 0.745 543 L CB -1.222 40.877 42.059 0.067 0.000 0.898 543 L HN 0.164 nan 8.230 nan 0.000 0.433 544 K N -0.819 119.668 120.400 0.145 0.000 2.063 544 K HA -0.247 4.074 4.320 0.001 0.000 0.208 544 K C 2.267 179.002 176.600 0.226 0.000 1.048 544 K CA 1.501 57.880 56.287 0.155 0.000 0.928 544 K CB -0.250 32.325 32.500 0.126 0.000 0.713 544 K HN 0.085 nan 8.250 nan 0.000 0.442 545 F N 1.034 121.042 119.950 0.097 0.000 2.206 545 F HA 0.045 4.573 4.527 0.001 0.000 0.298 545 F C 1.998 177.876 175.800 0.129 0.000 1.090 545 F CA 0.941 58.984 58.000 0.072 0.000 1.323 545 F CB -0.461 38.588 39.000 0.082 0.000 1.028 545 F HN 0.097 nan 8.300 nan 0.000 0.492 546 A N 0.215 123.142 122.820 0.177 0.000 1.972 546 A HA -0.020 4.301 4.320 0.001 0.000 0.219 546 A C 2.454 180.054 177.584 0.026 0.000 1.169 546 A CA 1.550 53.630 52.037 0.072 0.000 0.635 546 A CB -1.444 17.692 19.000 0.227 0.000 0.810 546 A HN 0.428 nan 8.150 nan 0.000 0.446 547 A N -0.861 122.006 122.820 0.079 0.000 1.859 547 A HA -0.216 4.104 4.320 0.001 0.000 0.217 547 A C 2.143 179.762 177.584 0.059 0.000 1.198 547 A CA 1.918 54.003 52.037 0.080 0.000 0.629 547 A CB -1.065 17.995 19.000 0.100 0.000 0.830 547 A HN 0.777 nan 8.150 nan 0.000 0.446 548 Y N 0.442 120.673 120.300 -0.115 0.000 2.081 548 Y HA -0.199 4.351 4.550 0.001 0.000 0.280 548 Y C 1.997 177.733 175.900 -0.272 0.000 1.163 548 Y CA 2.039 60.032 58.100 -0.178 0.000 1.135 548 Y CB -0.497 37.825 38.460 -0.229 0.000 0.970 548 Y HN 0.212 nan 8.280 nan 0.000 0.498 549 L N 0.404 121.528 121.223 -0.164 0.000 2.353 549 L HA -0.176 4.164 4.340 0.001 0.000 0.220 549 L C 2.564 179.364 176.870 -0.118 0.000 1.133 549 L CA 1.477 56.153 54.840 -0.273 0.000 0.798 549 L CB -0.509 41.290 42.059 -0.433 0.000 0.922 549 L HN 0.413 nan 8.230 nan 0.000 0.445 550 E N 1.899 122.066 120.200 -0.055 0.000 2.022 550 E HA -0.157 4.193 4.350 0.001 0.000 0.190 550 E C 1.496 178.075 176.600 -0.036 0.000 0.973 550 E CA 0.495 56.883 56.400 -0.020 0.000 0.816 550 E CB -0.057 29.713 29.700 0.118 0.000 0.781 550 E HN 0.477 nan 8.360 nan 0.000 0.456 551 R N 0.959 121.437 120.500 -0.037 0.000 4.160 551 R HA 0.048 4.389 4.340 0.001 0.000 0.216 551 R C 0.130 176.343 176.300 -0.144 0.000 2.009 551 R CA 0.317 56.382 56.100 -0.058 0.000 1.664 551 R CB 0.040 30.328 30.300 -0.021 0.000 1.216 551 R HN 0.113 nan 8.270 nan 0.000 0.648 552 E N -0.249 119.859 120.200 -0.154 0.000 3.040 552 E HA -0.068 4.282 4.350 0.001 0.000 0.286 552 E C 0.521 177.120 176.600 -0.002 0.000 1.136 552 E CA -0.257 56.053 56.400 -0.151 0.000 2.027 552 E CB -0.805 28.669 29.700 -0.375 0.000 2.092 552 E HN 0.170 nan 8.360 nan 0.000 1.029 553 Y N 2.702 122.893 120.300 -0.182 0.000 2.716 553 Y HA 0.060 4.611 4.550 0.001 0.000 0.302 553 Y C 0.445 176.281 175.900 -0.107 0.000 1.160 553 Y CA 0.847 58.885 58.100 -0.103 0.000 1.362 553 Y CB -0.823 37.596 38.460 -0.068 0.000 0.988 553 Y HN 0.203 nan 8.280 nan 0.000 0.546 554 K N -0.247 120.155 120.400 0.005 0.000 3.213 554 K HA -0.185 4.136 4.320 0.001 0.000 0.266 554 K C -0.545 175.942 176.600 -0.189 0.000 0.911 554 K CA 0.403 56.628 56.287 -0.103 0.000 0.684 554 K CB -1.750 30.703 32.500 -0.077 0.000 1.402 554 K HN 0.056 nan 8.250 nan 0.000 0.465 555 V N -0.527 119.293 119.914 -0.157 0.000 2.834 555 V HA 0.305 4.425 4.120 0.001 0.000 0.313 555 V C 0.176 176.119 176.094 -0.251 0.000 1.060 555 V CA -0.746 61.463 62.300 -0.153 0.000 0.989 555 V CB 1.612 33.410 31.823 -0.040 0.000 1.041 555 V HN 0.245 nan 8.190 nan 0.000 0.459 556 H N 2.931 122.021 119.070 0.033 0.000 2.708 556 H HA 0.665 5.221 4.556 0.001 0.000 0.320 556 H C -0.338 175.006 175.328 0.026 0.000 0.991 556 H CA -0.515 55.550 56.048 0.029 0.000 1.243 556 H CB 1.460 31.244 29.762 0.038 0.000 1.446 556 H HN 0.694 nan 8.280 nan 0.000 0.502 557 I N -0.079 120.575 120.570 0.140 0.000 2.693 557 I HA 0.445 4.615 4.170 0.001 0.000 0.303 557 I C -0.233 175.967 176.117 0.139 0.000 1.025 557 I CA -1.240 60.118 61.300 0.097 0.000 1.086 557 I CB 1.982 39.994 38.000 0.019 0.000 1.268 557 I HN 0.392 nan 8.210 nan 0.000 0.440 558 N N 6.592 125.382 118.700 0.150 0.000 2.439 558 N HA 0.272 5.013 4.740 0.001 0.000 0.243 558 N C -1.664 173.969 175.510 0.206 0.000 1.088 558 N CA -2.635 50.504 53.050 0.147 0.000 0.940 558 N CB 0.777 39.331 38.487 0.111 0.000 1.180 558 N HN 0.494 nan 8.380 nan 0.000 0.505 559 P HA -0.042 nan 4.420 nan 0.000 0.236 559 P C -0.637 176.635 177.300 -0.047 0.000 1.172 559 P CA 0.786 63.948 63.100 0.103 0.000 0.759 559 P CB 0.134 31.884 31.700 0.084 0.000 0.843 560 N N -0.907 117.799 118.700 0.009 0.000 2.200 560 N HA 0.021 4.762 4.740 0.001 0.000 0.224 560 N C 0.587 176.120 175.510 0.038 0.000 1.179 560 N CA -0.279 52.762 53.050 -0.014 0.000 0.877 560 N CB 0.369 38.860 38.487 0.006 0.000 1.072 560 N HN 0.128 nan 8.380 nan 0.000 0.519 561 S N 0.060 115.795 115.700 0.059 0.000 2.632 561 S HA 0.371 4.842 4.470 0.001 0.000 0.267 561 S C -0.074 174.512 174.600 -0.022 0.000 1.193 561 S CA -0.805 57.443 58.200 0.080 0.000 1.003 561 S CB 0.628 63.909 63.200 0.136 0.000 1.073 561 S HN 0.093 nan 8.310 nan 0.000 0.553 562 L N 1.250 122.366 121.223 -0.178 0.000 2.264 562 L HA 0.504 4.844 4.340 0.001 0.000 0.289 562 L C -1.391 175.463 176.870 -0.026 0.000 1.044 562 L CA -0.669 53.869 54.840 -0.505 0.000 0.807 562 L CB -0.200 41.332 42.059 -0.878 0.000 1.192 562 L HN 0.560 nan 8.230 nan 0.000 0.425 563 F N 3.696 123.528 119.950 -0.197 0.000 2.404 563 F HA 0.266 4.793 4.527 0.001 0.000 0.359 563 F C 0.530 176.266 175.800 -0.107 0.000 1.134 563 F CA -0.840 57.105 58.000 -0.091 0.000 1.160 563 F CB 0.195 39.191 39.000 -0.007 0.000 1.186 563 F HN 0.473 nan 8.300 nan 0.000 0.526 564 D N 3.842 124.252 120.400 0.016 0.000 2.317 564 D HA 0.421 5.061 4.640 0.001 0.000 0.234 564 D C -0.893 175.361 176.300 -0.076 0.000 1.112 564 D CA -0.011 53.952 54.000 -0.063 0.000 0.840 564 D CB 1.290 42.037 40.800 -0.089 0.000 1.078 564 D HN 0.158 nan 8.370 nan 0.000 0.486 565 V N 3.881 123.731 119.914 -0.106 0.000 2.680 565 V HA 0.458 4.578 4.120 0.001 0.000 0.309 565 V C -0.215 175.751 176.094 -0.213 0.000 1.052 565 V CA -0.859 61.374 62.300 -0.112 0.000 0.908 565 V CB 1.963 33.816 31.823 0.050 0.000 1.001 565 V HN 0.486 nan 8.190 nan 0.000 0.431 566 Q N 2.752 122.432 119.800 -0.200 0.000 2.350 566 Q HA 0.584 4.925 4.340 0.001 0.000 0.255 566 Q C -1.589 174.243 176.000 -0.280 0.000 0.951 566 Q CA -0.428 55.238 55.803 -0.229 0.000 0.751 566 Q CB 2.148 30.774 28.738 -0.187 0.000 1.296 566 Q HN 0.826 nan 8.270 nan 0.000 0.453 567 V N 1.292 121.028 119.914 -0.297 0.000 2.305 567 V HA 0.714 4.835 4.120 0.001 0.000 0.275 567 V C -0.672 175.207 176.094 -0.358 0.000 1.020 567 V CA -0.651 61.309 62.300 -0.566 0.000 0.811 567 V CB 1.034 32.276 31.823 -0.968 0.000 1.031 567 V HN 0.493 nan 8.190 nan 0.000 0.439 568 K N 2.643 122.883 120.400 -0.266 0.000 2.499 568 K HA 0.597 4.918 4.320 0.001 0.000 0.277 568 K C -0.620 175.935 176.600 -0.074 0.000 1.025 568 K CA -0.993 55.212 56.287 -0.136 0.000 0.900 568 K CB 2.766 35.167 32.500 -0.164 0.000 1.494 568 K HN 0.649 nan 8.250 nan 0.000 0.442 569 R N 0.860 121.334 120.500 -0.044 0.000 2.537 569 R HA 0.242 4.582 4.340 0.001 0.000 0.280 569 R C 0.323 176.627 176.300 0.008 0.000 1.058 569 R CA -0.130 55.983 56.100 0.023 0.000 1.057 569 R CB 0.208 30.529 30.300 0.037 0.000 0.973 569 R HN 0.392 nan 8.270 nan 0.000 0.438 570 I N 4.220 124.826 120.570 0.060 0.000 2.372 570 I HA 0.028 4.199 4.170 0.001 0.000 0.298 570 I C -0.019 176.102 176.117 0.006 0.000 1.137 570 I CA 0.325 61.629 61.300 0.008 0.000 1.314 570 I CB -0.446 37.578 38.000 0.040 0.000 1.444 570 I HN 0.564 nan 8.210 nan 0.000 0.541 571 H N 3.725 122.730 119.070 -0.108 0.000 2.851 571 H HA 0.211 4.767 4.556 0.001 0.000 0.372 571 H C 0.790 176.044 175.328 -0.123 0.000 1.158 571 H CA -0.465 55.577 56.048 -0.010 0.000 1.159 571 H CB 1.801 31.561 29.762 -0.004 0.000 1.757 571 H HN 0.458 nan 8.280 nan 0.000 0.546 572 E N 2.006 122.024 120.200 -0.303 0.000 2.169 572 E HA -0.323 4.028 4.350 0.001 0.000 0.202 572 E C 0.965 177.460 176.600 -0.175 0.000 1.016 572 E CA 2.034 58.374 56.400 -0.100 0.000 0.817 572 E CB -0.116 29.638 29.700 0.090 0.000 0.736 572 E HN 0.703 nan 8.360 nan 0.000 0.462 573 Y N -0.236 119.799 120.300 -0.441 0.000 2.561 573 Y HA 0.106 4.657 4.550 0.001 0.000 0.291 573 Y C 1.531 177.266 175.900 -0.276 0.000 1.141 573 Y CA 0.250 57.894 58.100 -0.761 0.000 1.303 573 Y CB 0.106 37.992 38.460 -0.957 0.000 1.015 573 Y HN -0.215 nan 8.280 nan 0.000 0.547 574 K N 1.297 121.392 120.400 -0.509 0.000 2.288 574 K HA -0.028 4.292 4.320 0.001 0.000 0.201 574 K C 0.385 176.860 176.600 -0.210 0.000 1.048 574 K CA 0.799 56.838 56.287 -0.414 0.000 0.956 574 K CB -0.299 31.968 32.500 -0.390 0.000 0.746 574 K HN 0.455 nan 8.250 nan 0.000 0.461 575 R N 0.821 121.227 120.500 -0.158 0.000 3.336 575 R HA -0.180 4.160 4.340 0.001 0.000 0.260 575 R C 0.450 176.685 176.300 -0.109 0.000 1.032 575 R CA 0.230 56.270 56.100 -0.100 0.000 0.693 575 R CB -1.738 28.518 30.300 -0.074 0.000 1.134 575 R HN 0.211 nan 8.270 nan 0.000 0.433 576 Q N -0.088 119.645 119.800 -0.112 0.000 2.364 576 Q HA -0.081 4.259 4.340 0.001 0.000 0.209 576 Q C 1.711 177.669 176.000 -0.071 0.000 0.977 576 Q CA 1.002 56.749 55.803 -0.094 0.000 0.885 576 Q CB 0.026 28.711 28.738 -0.088 0.000 0.941 576 Q HN 0.410 nan 8.270 nan 0.000 0.464 577 L N -0.497 120.687 121.223 -0.066 0.000 2.240 577 L HA 0.009 4.350 4.340 0.001 0.000 0.211 577 L C 1.637 178.503 176.870 -0.005 0.000 1.106 577 L CA 1.147 55.957 54.840 -0.050 0.000 0.793 577 L CB -0.361 41.669 42.059 -0.049 0.000 0.927 577 L HN 0.309 nan 8.230 nan 0.000 0.446 578 L N -0.814 120.404 121.223 -0.008 0.000 2.093 578 L HA -0.249 4.092 4.340 0.001 0.000 0.208 578 L C 2.199 179.149 176.870 0.132 0.000 1.085 578 L CA 1.588 56.444 54.840 0.028 0.000 0.755 578 L CB -0.204 41.770 42.059 -0.142 0.000 0.904 578 L HN 0.486 nan 8.230 nan 0.000 0.435 579 N N -1.151 117.585 118.700 0.060 0.000 2.142 579 N HA -0.206 4.534 4.740 0.001 0.000 0.186 579 N C 1.944 177.535 175.510 0.135 0.000 1.023 579 N CA 1.507 54.661 53.050 0.174 0.000 0.852 579 N CB 0.050 38.565 38.487 0.047 0.000 0.998 579 N HN 0.391 nan 8.380 nan 0.000 0.424 580 C N 0.317 119.632 119.300 0.024 0.000 2.425 580 C HA -0.022 4.438 4.460 0.001 0.000 0.277 580 C C 2.512 177.490 174.990 -0.020 0.000 1.280 580 C CA -0.009 58.979 59.018 -0.050 0.000 1.744 580 C CB -1.112 26.543 27.740 -0.141 0.000 1.989 580 C HN 0.478 nan 8.230 nan 0.000 0.491 581 L N 0.240 121.490 121.223 0.045 0.000 2.017 581 L HA -0.154 4.187 4.340 0.001 0.000 0.208 581 L C 2.588 179.567 176.870 0.180 0.000 1.073 581 L CA 1.897 56.768 54.840 0.052 0.000 0.745 581 L CB -1.484 40.580 42.059 0.008 0.000 0.894 581 L HN 0.507 nan 8.230 nan 0.000 0.432 582 H N -0.930 118.260 119.070 0.200 0.000 2.319 582 H HA -0.160 4.396 4.556 0.001 0.000 0.299 582 H C 2.317 177.668 175.328 0.039 0.000 1.092 582 H CA 2.255 58.384 56.048 0.134 0.000 1.302 582 H CB 0.195 29.985 29.762 0.047 0.000 1.373 582 H HN 0.245 nan 8.280 nan 0.000 0.497 583 V N 0.893 120.765 119.914 -0.070 0.000 2.427 583 V HA -0.180 3.940 4.120 0.001 0.000 0.248 583 V C 2.361 178.409 176.094 -0.077 0.000 1.051 583 V CA 1.805 64.009 62.300 -0.160 0.000 1.048 583 V CB -0.656 31.109 31.823 -0.098 0.000 0.666 583 V HN 0.410 nan 8.190 nan 0.000 0.456 584 I N 0.678 121.241 120.570 -0.012 0.000 2.394 584 I HA -0.161 4.010 4.170 0.001 0.000 0.251 584 I C 2.593 178.784 176.117 0.124 0.000 1.136 584 I CA 1.739 63.115 61.300 0.126 0.000 1.425 584 I CB -0.841 37.232 38.000 0.121 0.000 1.079 584 I HN 0.316 nan 8.210 nan 0.000 0.425 585 T N 1.398 115.976 114.554 0.040 0.000 2.674 585 T HA -0.146 4.204 4.350 0.001 0.000 0.265 585 T C 1.884 176.546 174.700 -0.063 0.000 1.039 585 T CA 1.294 63.409 62.100 0.025 0.000 1.150 585 T CB -0.271 68.651 68.868 0.089 0.000 0.864 585 T HN 0.076 nan 8.240 nan 0.000 0.427 586 L N 0.152 121.268 121.223 -0.180 0.000 2.012 586 L HA -0.067 4.274 4.340 0.001 0.000 0.210 586 L C 2.144 178.987 176.870 -0.045 0.000 1.073 586 L CA 1.610 56.349 54.840 -0.168 0.000 0.748 586 L CB -1.232 40.681 42.059 -0.244 0.000 0.891 586 L HN 0.326 nan 8.230 nan 0.000 0.431 587 Y N 0.697 120.948 120.300 -0.081 0.000 2.070 587 Y HA -0.286 4.264 4.550 0.001 0.000 0.280 587 Y C 2.414 178.311 175.900 -0.004 0.000 1.148 587 Y CA 2.154 60.246 58.100 -0.013 0.000 1.125 587 Y CB -0.698 37.800 38.460 0.063 0.000 0.975 587 Y HN 0.316 nan 8.280 nan 0.000 0.492 588 N N -0.358 118.235 118.700 -0.178 0.000 2.104 588 N HA -0.216 4.524 4.740 0.001 0.000 0.190 588 N C 1.922 177.300 175.510 -0.221 0.000 1.024 588 N CA 1.378 54.268 53.050 -0.267 0.000 0.853 588 N CB -0.226 38.201 38.487 -0.100 0.000 1.008 588 N HN 0.273 nan 8.380 nan 0.000 0.424 589 R N 0.804 121.218 120.500 -0.142 0.000 2.094 589 R HA -0.081 4.260 4.340 0.001 0.000 0.239 589 R C 2.161 178.378 176.300 -0.139 0.000 1.137 589 R CA 1.285 57.313 56.100 -0.121 0.000 0.943 589 R CB -0.355 29.884 30.300 -0.102 0.000 0.850 589 R HN 0.255 nan 8.270 nan 0.000 0.433 590 I N 0.840 121.316 120.570 -0.156 0.000 2.163 590 I HA -0.332 3.838 4.170 0.001 0.000 0.243 590 I C 2.042 178.059 176.117 -0.166 0.000 1.085 590 I CA 1.278 62.493 61.300 -0.140 0.000 1.347 590 I CB -0.319 37.612 38.000 -0.115 0.000 1.044 590 I HN 0.126 nan 8.210 nan 0.000 0.408 591 K N 0.943 121.180 120.400 -0.273 0.000 2.103 591 K HA -0.224 4.097 4.320 0.001 0.000 0.207 591 K C 1.988 178.494 176.600 -0.155 0.000 1.048 591 K CA 1.350 57.486 56.287 -0.252 0.000 0.930 591 K CB -0.449 31.811 32.500 -0.399 0.000 0.716 591 K HN 0.359 nan 8.250 nan 0.000 0.444 592 K N 1.273 121.586 120.400 -0.145 0.000 2.062 592 K HA -0.101 4.219 4.320 0.001 0.000 0.205 592 K C 0.005 176.560 176.600 -0.074 0.000 1.051 592 K CA 1.169 57.395 56.287 -0.100 0.000 0.941 592 K CB 0.256 32.699 32.500 -0.094 0.000 0.719 592 K HN 0.043 nan 8.250 nan 0.000 0.440 593 E N 0.432 120.589 120.200 -0.072 0.000 2.916 593 E HA 0.132 4.483 4.350 0.001 0.000 0.217 593 E C -2.276 174.297 176.600 -0.045 0.000 1.100 593 E CA -1.817 54.553 56.400 -0.049 0.000 0.891 593 E CB 1.665 31.340 29.700 -0.041 0.000 1.311 593 E HN 0.137 nan 8.360 nan 0.000 0.421 594 P HA -0.195 nan 4.420 nan 0.000 0.219 594 P C 0.246 177.540 177.300 -0.010 0.000 1.144 594 P CA 1.160 64.243 63.100 -0.029 0.000 0.806 594 P CB 0.217 31.905 31.700 -0.021 0.000 0.771 595 N N -1.786 116.912 118.700 -0.003 0.000 2.204 595 N HA 0.040 4.781 4.740 0.001 0.000 0.219 595 N C 0.362 175.890 175.510 0.031 0.000 1.151 595 N CA -0.071 52.989 53.050 0.017 0.000 0.867 595 N CB 0.575 39.072 38.487 0.016 0.000 1.043 595 N HN 0.226 nan 8.380 nan 0.000 0.516 596 K N 1.143 121.552 120.400 0.015 0.000 2.270 596 K HA 0.090 4.411 4.320 0.001 0.000 0.276 596 K C -0.538 176.099 176.600 0.062 0.000 1.023 596 K CA -0.505 55.801 56.287 0.032 0.000 0.955 596 K CB 0.690 33.187 32.500 -0.005 0.000 0.975 596 K HN -0.127 nan 8.250 nan 0.000 0.471 597 F N 5.553 125.493 119.950 -0.015 0.000 2.456 597 F HA 0.256 4.783 4.527 0.001 0.000 0.358 597 F C -0.593 175.198 175.800 -0.015 0.000 1.095 597 F CA -0.427 57.566 58.000 -0.013 0.000 1.216 597 F CB 0.479 39.472 39.000 -0.011 0.000 1.125 597 F HN 0.188 nan 8.300 nan 0.000 0.549 598 V N 4.219 123.670 119.914 -0.771 0.000 2.960 598 V HA 0.623 4.744 4.120 0.001 0.000 0.315 598 V C -0.591 174.777 176.094 -1.209 0.000 1.087 598 V CA -1.223 60.568 62.300 -0.849 0.000 0.982 598 V CB 1.171 32.768 31.823 -0.376 0.000 1.039 598 V HN 0.614 nan 8.190 nan 0.000 0.437 599 V N 4.518 123.963 119.914 -0.782 0.000 2.470 599 V HA 0.265 4.386 4.120 0.001 0.000 0.276 599 V C -1.652 174.309 176.094 -0.222 0.000 1.040 599 V CA -0.752 61.317 62.300 -0.385 0.000 1.008 599 V CB 0.821 32.559 31.823 -0.142 0.000 0.990 599 V HN 0.941 nan 8.190 nan 0.000 0.477 600 P HA 0.376 nan 4.420 nan 0.000 0.275 600 P C -0.711 176.554 177.300 -0.059 0.000 1.227 600 P CA -0.446 62.620 63.100 -0.057 0.000 0.781 600 P CB 1.089 32.801 31.700 0.019 0.000 0.906 601 R N 0.664 121.130 120.500 -0.057 0.000 2.673 601 R HA 0.523 4.864 4.340 0.001 0.000 0.281 601 R C -0.647 175.638 176.300 -0.025 0.000 0.991 601 R CA -0.587 55.476 56.100 -0.062 0.000 0.896 601 R CB 2.120 32.358 30.300 -0.104 0.000 1.201 601 R HN 0.345 nan 8.270 nan 0.000 0.457 602 T N 2.108 116.662 114.554 -0.000 0.000 2.821 602 T HA 0.234 4.584 4.350 0.001 0.000 0.307 602 T C -0.405 174.232 174.700 -0.105 0.000 1.034 602 T CA -0.491 61.569 62.100 -0.067 0.000 0.953 602 T CB 1.026 69.797 68.868 -0.162 0.000 0.968 602 T HN 0.127 nan 8.240 nan 0.000 0.462 603 V N 5.677 125.532 119.914 -0.099 0.000 2.368 603 V HA 0.371 4.491 4.120 0.001 0.000 0.266 603 V C 0.083 176.108 176.094 -0.115 0.000 1.045 603 V CA -0.282 61.961 62.300 -0.094 0.000 0.899 603 V CB 0.490 32.268 31.823 -0.075 0.000 1.006 603 V HN 0.871 nan 8.190 nan 0.000 0.470 604 M N 6.591 126.113 119.600 -0.131 0.000 2.043 604 M HA 0.547 5.027 4.480 0.001 0.000 0.322 604 M C -0.877 175.315 176.300 -0.181 0.000 0.962 604 M CA 0.012 55.222 55.300 -0.149 0.000 0.927 604 M CB 1.507 34.017 32.600 -0.150 0.000 1.466 604 M HN 0.444 nan 8.290 nan 0.000 0.412 605 I N 2.356 122.794 120.570 -0.221 0.000 2.354 605 I HA 0.782 4.952 4.170 0.001 0.000 0.292 605 I C 0.375 176.110 176.117 -0.638 0.000 0.989 605 I CA -0.580 60.531 61.300 -0.314 0.000 1.188 605 I CB 1.822 39.707 38.000 -0.192 0.000 1.342 605 I HN 0.736 nan 8.210 nan 0.000 0.457 606 G N 3.249 111.635 108.800 -0.690 0.000 2.733 606 G HA2 0.772 4.733 3.960 0.001 0.000 0.297 606 G HA3 0.772 4.733 3.960 0.001 0.000 0.297 606 G C -1.066 173.491 174.900 -0.572 0.000 1.422 606 G CA -0.660 43.906 45.100 -0.890 0.000 0.942 606 G HN 0.938 nan 8.290 nan 0.000 0.510 607 G N -0.154 108.499 108.800 -0.246 0.000 2.338 607 G HA2 0.497 4.458 3.960 0.001 0.000 0.295 607 G HA3 0.497 4.458 3.960 0.001 0.000 0.295 607 G C -1.492 173.554 174.900 0.243 0.000 1.461 607 G CA -0.964 44.149 45.100 0.022 0.000 0.817 607 G HN 0.601 nan 8.290 nan 0.000 0.556 608 K N -0.370 120.184 120.400 0.256 0.000 2.098 608 K HA 0.731 5.051 4.320 0.001 0.000 0.258 608 K C 0.000 176.772 176.600 0.286 0.000 0.973 608 K CA -0.331 56.146 56.287 0.317 0.000 0.898 608 K CB 1.995 34.675 32.500 0.299 0.000 1.057 608 K HN 0.761 nan 8.250 nan 0.000 0.447 609 A N 1.694 124.688 122.820 0.290 0.000 2.258 609 A HA 0.571 4.891 4.320 0.001 0.000 0.316 609 A C -0.380 177.355 177.584 0.251 0.000 1.279 609 A CA -0.685 51.472 52.037 0.199 0.000 0.876 609 A CB 0.756 19.807 19.000 0.086 0.000 1.170 609 A HN 0.765 nan 8.150 nan 0.000 0.520 610 A N 5.055 128.051 122.820 0.293 0.000 2.546 610 A HA 0.510 4.830 4.320 0.001 0.000 0.243 610 A C -2.088 175.616 177.584 0.200 0.000 1.063 610 A CA -0.764 51.442 52.037 0.283 0.000 0.757 610 A CB -0.502 18.664 19.000 0.277 0.000 0.991 610 A HN 0.624 nan 8.150 nan 0.000 0.503 611 P HA 0.345 nan 4.420 nan 0.000 0.276 611 P C 0.895 178.232 177.300 0.062 0.000 1.230 611 P CA 1.127 64.223 63.100 -0.006 0.000 0.776 611 P CB 1.195 32.798 31.700 -0.162 0.000 0.888 612 G N 2.025 110.872 108.800 0.077 0.000 2.254 612 G HA2 -0.268 3.692 3.960 0.001 0.000 0.225 612 G HA3 -0.268 3.692 3.960 0.001 0.000 0.225 612 G C -0.234 174.787 174.900 0.201 0.000 1.003 612 G CA -0.344 44.816 45.100 0.101 0.000 0.622 612 G HN 0.565 nan 8.290 nan 0.000 0.507 613 Y N 2.878 123.220 120.300 0.069 0.000 2.584 613 Y HA 0.500 5.051 4.550 0.001 0.000 0.351 613 Y C 1.427 177.392 175.900 0.109 0.000 1.030 613 Y CA -0.284 57.864 58.100 0.080 0.000 1.332 613 Y CB 0.234 38.732 38.460 0.063 0.000 1.148 613 Y HN 0.386 nan 8.280 nan 0.000 0.528 614 H N 4.480 123.696 119.070 0.243 0.000 2.333 614 H HA -0.141 4.415 4.556 0.001 0.000 0.302 614 H C 1.887 177.227 175.328 0.021 0.000 1.075 614 H CA 2.480 58.593 56.048 0.109 0.000 1.348 614 H CB 0.215 30.041 29.762 0.106 0.000 1.393 614 H HN 0.663 nan 8.280 nan 0.000 0.509 615 M N 0.318 119.857 119.600 -0.102 0.000 2.149 615 M HA -0.048 4.433 4.480 0.001 0.000 0.261 615 M C 2.338 178.349 176.300 -0.481 0.000 1.064 615 M CA 1.705 56.823 55.300 -0.304 0.000 1.102 615 M CB -0.686 31.828 32.600 -0.143 0.000 1.369 615 M HN 0.396 nan 8.290 nan 0.000 0.408 616 A N -0.511 121.814 122.820 -0.825 0.000 1.902 616 A HA -0.200 4.121 4.320 0.001 0.000 0.217 616 A C 2.186 179.612 177.584 -0.264 0.000 1.181 616 A CA 1.901 53.557 52.037 -0.635 0.000 0.623 616 A CB -0.629 17.921 19.000 -0.751 0.000 0.818 616 A HN 0.559 nan 8.150 nan 0.000 0.443 617 K N -1.113 119.198 120.400 -0.149 0.000 2.211 617 K HA -0.041 4.279 4.320 0.001 0.000 0.203 617 K C 1.830 178.430 176.600 -0.000 0.000 1.050 617 K CA 1.179 57.464 56.287 -0.004 0.000 0.945 617 K CB -0.163 32.413 32.500 0.127 0.000 0.732 617 K HN 0.351 nan 8.250 nan 0.000 0.451 618 M N 0.192 119.724 119.600 -0.112 0.000 2.288 618 M HA -0.025 4.456 4.480 0.001 0.000 0.266 618 M C 2.029 178.269 176.300 -0.100 0.000 1.072 618 M CA 1.284 56.546 55.300 -0.063 0.000 1.132 618 M CB -0.525 32.007 32.600 -0.115 0.000 1.386 618 M HN 0.100 nan 8.290 nan 0.000 0.432 619 I N 0.108 120.584 120.570 -0.157 0.000 2.226 619 I HA -0.301 3.869 4.170 0.001 0.000 0.245 619 I C 2.281 178.305 176.117 -0.155 0.000 1.100 619 I CA 1.124 62.328 61.300 -0.160 0.000 1.374 619 I CB -0.318 37.587 38.000 -0.157 0.000 1.057 619 I HN 0.162 nan 8.210 nan 0.000 0.413 620 I N 0.505 120.976 120.570 -0.165 0.000 2.142 620 I HA -0.306 3.865 4.170 0.001 0.000 0.240 620 I C 2.597 178.504 176.117 -0.350 0.000 1.078 620 I CA 1.266 62.383 61.300 -0.303 0.000 1.343 620 I CB -0.391 37.361 38.000 -0.415 0.000 1.046 620 I HN 0.136 nan 8.210 nan 0.000 0.405 621 K N 1.310 121.504 120.400 -0.343 0.000 2.103 621 K HA -0.218 4.103 4.320 0.001 0.000 0.207 621 K C 1.957 178.438 176.600 -0.199 0.000 1.048 621 K CA 1.563 57.577 56.287 -0.456 0.000 0.930 621 K CB -0.554 31.427 32.500 -0.865 0.000 0.716 621 K HN 0.175 nan 8.250 nan 0.000 0.444 622 L N 0.418 121.506 121.223 -0.225 0.000 2.056 622 L HA 0.026 4.367 4.340 0.001 0.000 0.207 622 L C 1.911 178.537 176.870 -0.407 0.000 1.078 622 L CA 1.567 56.054 54.840 -0.589 0.000 0.749 622 L CB -0.346 41.255 42.059 -0.763 0.000 0.901 622 L HN 0.250 nan 8.230 nan 0.000 0.433 623 I N -0.431 119.980 120.570 -0.264 0.000 2.286 623 I HA -0.278 3.892 4.170 0.001 0.000 0.248 623 I C 2.287 178.313 176.117 -0.152 0.000 1.115 623 I CA 1.697 62.897 61.300 -0.167 0.000 1.392 623 I CB -0.732 37.283 38.000 0.025 0.000 1.065 623 I HN 0.474 nan 8.210 nan 0.000 0.418 624 T N -1.278 113.172 114.554 -0.173 0.000 2.942 624 T HA 0.083 4.433 4.350 0.001 0.000 0.265 624 T C 1.997 176.613 174.700 -0.140 0.000 1.062 624 T CA 0.691 62.705 62.100 -0.143 0.000 1.139 624 T CB -0.310 68.443 68.868 -0.191 0.000 0.883 624 T HN 0.304 nan 8.240 nan 0.000 0.468 625 A N 1.748 124.483 122.820 -0.141 0.000 1.898 625 A HA 0.127 4.448 4.320 0.001 0.000 0.216 625 A C 2.345 179.871 177.584 -0.096 0.000 1.181 625 A CA 1.171 53.181 52.037 -0.046 0.000 0.620 625 A CB -0.858 18.223 19.000 0.135 0.000 0.819 625 A HN 0.547 nan 8.150 nan 0.000 0.442 626 I N -0.295 120.069 120.570 -0.344 0.000 2.099 626 I HA -0.254 3.916 4.170 0.001 0.000 0.239 626 I C 2.792 178.752 176.117 -0.262 0.000 1.066 626 I CA 1.303 62.280 61.300 -0.539 0.000 1.324 626 I CB -0.869 36.750 38.000 -0.636 0.000 1.037 626 I HN 0.407 nan 8.210 nan 0.000 0.401 627 G N 0.625 109.299 108.800 -0.210 0.000 2.529 627 G HA2 -0.309 3.651 3.960 0.001 0.000 0.219 627 G HA3 -0.309 3.651 3.960 0.001 0.000 0.219 627 G C 1.279 176.068 174.900 -0.186 0.000 1.177 627 G CA 1.342 46.340 45.100 -0.169 0.000 0.773 627 G HN 0.325 nan 8.290 nan 0.000 0.573 628 D N -0.029 120.297 120.400 -0.124 0.000 2.149 628 D HA -0.087 4.553 4.640 0.001 0.000 0.198 628 D C 2.727 178.985 176.300 -0.070 0.000 0.990 628 D CA 0.870 54.825 54.000 -0.076 0.000 0.839 628 D CB -0.270 40.540 40.800 0.017 0.000 0.948 628 D HN 0.255 nan 8.370 nan 0.000 0.460 629 V N 0.646 120.526 119.914 -0.057 0.000 2.239 629 V HA -0.185 3.935 4.120 0.001 0.000 0.242 629 V C 2.726 178.742 176.094 -0.130 0.000 1.038 629 V CA 0.968 63.228 62.300 -0.066 0.000 1.002 629 V CB -0.559 31.245 31.823 -0.032 0.000 0.641 629 V HN 0.015 nan 8.190 nan 0.000 0.449 630 V N 0.933 120.706 119.914 -0.235 0.000 2.282 630 V HA -0.290 3.831 4.120 0.001 0.000 0.249 630 V C 2.153 178.173 176.094 -0.123 0.000 1.057 630 V CA 2.330 64.490 62.300 -0.234 0.000 1.032 630 V CB -1.038 30.637 31.823 -0.247 0.000 0.645 630 V HN 0.562 nan 8.190 nan 0.000 0.447 631 N N -0.824 117.727 118.700 -0.247 0.000 2.512 631 N HA -0.092 4.648 4.740 0.001 0.000 0.183 631 N C 1.316 176.622 175.510 -0.340 0.000 1.073 631 N CA 0.860 53.709 53.050 -0.335 0.000 0.911 631 N CB -0.248 37.935 38.487 -0.507 0.000 0.964 631 N HN 0.594 nan 8.380 nan 0.000 0.447 632 H N -1.114 117.964 119.070 0.015 0.000 2.784 632 H HA 0.177 4.733 4.556 0.001 0.000 0.273 632 H C -0.386 174.968 175.328 0.043 0.000 1.112 632 H CA -0.456 55.605 56.048 0.022 0.000 1.162 632 H CB 0.356 30.120 29.762 0.003 0.000 1.586 632 H HN 0.107 nan 8.280 nan 0.000 0.548 633 D N 3.245 123.735 120.400 0.151 0.000 2.336 633 D HA 0.031 4.672 4.640 0.001 0.000 0.249 633 D C -1.301 175.082 176.300 0.138 0.000 1.213 633 D CA -1.586 52.516 54.000 0.169 0.000 0.870 633 D CB 2.135 43.105 40.800 0.282 0.000 1.076 633 D HN 0.098 nan 8.370 nan 0.000 0.483 634 P HA -0.185 nan 4.420 nan 0.000 0.216 634 P C 1.559 178.902 177.300 0.071 0.000 1.150 634 P CA 0.941 64.090 63.100 0.082 0.000 0.843 634 P CB -0.003 31.735 31.700 0.063 0.000 0.787 635 V N -2.585 117.370 119.914 0.067 0.000 2.913 635 V HA -0.086 4.034 4.120 0.001 0.000 0.260 635 V C 2.145 178.267 176.094 0.046 0.000 1.098 635 V CA 1.327 63.653 62.300 0.043 0.000 1.121 635 V CB -1.278 30.555 31.823 0.017 0.000 0.714 635 V HN -0.090 nan 8.190 nan 0.000 0.487 636 V N 1.092 121.054 119.914 0.080 0.000 2.649 636 V HA 0.312 4.433 4.120 0.001 0.000 0.248 636 V C 2.135 178.266 176.094 0.062 0.000 1.054 636 V CA 1.323 63.669 62.300 0.078 0.000 1.073 636 V CB -0.921 30.990 31.823 0.147 0.000 0.699 636 V HN 0.976 nan 8.190 nan 0.000 0.463 637 G N 1.938 110.779 108.800 0.069 0.000 2.596 637 G HA2 -0.408 3.552 3.960 0.001 0.000 0.295 637 G HA3 -0.408 3.552 3.960 0.001 0.000 0.295 637 G C 0.374 175.310 174.900 0.059 0.000 1.240 637 G CA 0.576 45.714 45.100 0.062 0.000 0.985 637 G HN 0.689 nan 8.290 nan 0.000 0.555 638 D N 0.524 120.957 120.400 0.056 0.000 2.434 638 D HA 0.218 4.858 4.640 0.001 0.000 0.232 638 D C 1.840 178.168 176.300 0.047 0.000 1.166 638 D CA 0.197 54.231 54.000 0.056 0.000 0.830 638 D CB -0.035 40.802 40.800 0.063 0.000 0.960 638 D HN 0.596 nan 8.370 nan 0.000 0.497 639 R N -0.883 119.638 120.500 0.035 0.000 2.127 639 R HA 0.253 4.594 4.340 0.001 0.000 0.217 639 R C 0.097 176.393 176.300 -0.006 0.000 1.074 639 R CA 0.276 56.381 56.100 0.009 0.000 0.991 639 R CB 0.213 30.509 30.300 -0.007 0.000 0.895 639 R HN 0.151 nan 8.270 nan 0.000 0.450 640 L N -0.236 120.993 121.223 0.009 0.000 2.409 640 L HA 0.507 4.848 4.340 0.001 0.000 0.262 640 L C -1.649 175.215 176.870 -0.010 0.000 0.992 640 L CA -0.888 53.948 54.840 -0.006 0.000 0.817 640 L CB 2.156 44.223 42.059 0.013 0.000 1.350 640 L HN -0.166 nan 8.230 nan 0.000 0.411 641 R N 2.222 122.699 120.500 -0.037 0.000 2.522 641 R HA 0.740 5.080 4.340 0.001 0.000 0.273 641 R C -2.054 174.199 176.300 -0.079 0.000 1.133 641 R CA -0.431 55.635 56.100 -0.057 0.000 0.969 641 R CB 1.943 32.218 30.300 -0.042 0.000 1.235 641 R HN 0.420 nan 8.270 nan 0.000 0.433 642 V N 5.834 125.691 119.914 -0.094 0.000 2.384 642 V HA 0.578 4.698 4.120 0.001 0.000 0.287 642 V C -0.027 176.028 176.094 -0.064 0.000 1.020 642 V CA -0.554 61.691 62.300 -0.091 0.000 0.850 642 V CB 1.520 33.274 31.823 -0.116 0.000 0.987 642 V HN 0.633 nan 8.190 nan 0.000 0.436 643 I N 4.480 125.023 120.570 -0.044 0.000 2.545 643 I HA 0.435 4.606 4.170 0.001 0.000 0.292 643 I C -1.109 175.049 176.117 0.068 0.000 1.040 643 I CA -0.545 60.768 61.300 0.022 0.000 1.068 643 I CB 2.462 40.445 38.000 -0.028 0.000 1.251 643 I HN 0.549 nan 8.210 nan 0.000 0.424 644 F N 6.928 126.905 119.950 0.045 0.000 2.405 644 F HA 0.426 4.953 4.527 0.001 0.000 0.355 644 F C -0.284 175.637 175.800 0.202 0.000 1.121 644 F CA -0.504 57.531 58.000 0.059 0.000 1.112 644 F CB 0.704 39.715 39.000 0.017 0.000 1.126 644 F HN 0.215 nan 8.300 nan 0.000 0.481 645 L N 7.117 128.239 121.223 -0.169 0.000 2.401 645 L HA 0.155 4.495 4.340 0.001 0.000 0.283 645 L C 0.212 177.245 176.870 0.271 0.000 1.151 645 L CA -0.407 54.529 54.840 0.159 0.000 0.942 645 L CB -0.392 41.676 42.059 0.015 0.000 1.283 645 L HN 0.631 nan 8.230 nan 0.000 0.442 646 E N 2.378 122.907 120.200 0.550 0.000 2.392 646 E HA -0.005 4.345 4.350 0.001 0.000 0.264 646 E C 0.178 177.004 176.600 0.376 0.000 1.024 646 E CA -0.623 56.066 56.400 0.482 0.000 0.903 646 E CB 0.317 30.187 29.700 0.284 0.000 0.963 646 E HN 0.477 nan 8.360 nan 0.000 0.432 647 N N 1.290 120.201 118.700 0.351 0.000 2.648 647 N HA -0.250 4.491 4.740 0.001 0.000 0.265 647 N C -1.787 173.871 175.510 0.247 0.000 1.100 647 N CA 0.393 53.605 53.050 0.269 0.000 0.715 647 N CB -1.245 37.371 38.487 0.215 0.000 0.881 647 N HN 0.618 nan 8.380 nan 0.000 0.548 648 Y N 2.947 123.320 120.300 0.122 0.000 2.335 648 Y HA 0.485 5.036 4.550 0.001 0.000 0.331 648 Y C 0.836 176.769 175.900 0.056 0.000 1.094 648 Y CA -0.061 58.081 58.100 0.069 0.000 1.253 648 Y CB 0.479 38.954 38.460 0.025 0.000 1.203 648 Y HN 0.434 nan 8.280 nan 0.000 0.508 649 R N 2.994 123.193 120.500 -0.501 0.000 2.762 649 R HA 0.368 4.708 4.340 0.001 0.000 0.271 649 R C -0.536 175.408 176.300 -0.594 0.000 1.038 649 R CA -0.429 55.380 56.100 -0.486 0.000 0.906 649 R CB 0.394 30.570 30.300 -0.207 0.000 1.259 649 R HN 0.453 nan 8.270 nan 0.000 0.457 650 V N 1.228 120.821 119.914 -0.536 0.000 2.317 650 V HA -0.273 3.847 4.120 0.001 0.000 0.251 650 V C 2.275 178.240 176.094 -0.215 0.000 1.065 650 V CA 2.711 64.815 62.300 -0.328 0.000 1.049 650 V CB -0.783 30.835 31.823 -0.341 0.000 0.651 650 V HN 0.801 nan 8.190 nan 0.000 0.450 651 S N 0.096 115.675 115.700 -0.201 0.000 2.370 651 S HA -0.184 4.286 4.470 0.001 0.000 0.226 651 S C 1.863 176.401 174.600 -0.104 0.000 1.033 651 S CA 1.738 59.857 58.200 -0.135 0.000 1.011 651 S CB -0.432 62.721 63.200 -0.078 0.000 0.852 651 S HN 0.445 nan 8.310 nan 0.000 0.457 652 L N 1.834 122.995 121.223 -0.104 0.000 2.109 652 L HA 0.220 4.561 4.340 0.001 0.000 0.207 652 L C 2.363 179.190 176.870 -0.072 0.000 1.086 652 L CA 1.402 56.216 54.840 -0.044 0.000 0.760 652 L CB -1.230 40.866 42.059 0.062 0.000 0.910 652 L HN 0.234 nan 8.230 nan 0.000 0.437 653 A N -0.483 122.262 122.820 -0.126 0.000 1.908 653 A HA -0.250 4.070 4.320 0.001 0.000 0.218 653 A C 2.115 179.718 177.584 0.030 0.000 1.181 653 A CA 1.929 53.966 52.037 -0.000 0.000 0.627 653 A CB -0.656 18.328 19.000 -0.028 0.000 0.818 653 A HN 0.606 nan 8.150 nan 0.000 0.445 654 E N -0.435 119.782 120.200 0.029 0.000 2.265 654 E HA -0.178 4.173 4.350 0.001 0.000 0.196 654 E C 1.919 178.439 176.600 -0.134 0.000 0.996 654 E CA 1.213 57.578 56.400 -0.057 0.000 0.832 654 E CB -0.077 29.498 29.700 -0.208 0.000 0.756 654 E HN 0.635 nan 8.360 nan 0.000 0.491 655 K N 0.219 120.507 120.400 -0.187 0.000 2.029 655 K HA -0.017 4.304 4.320 0.001 0.000 0.205 655 K C 2.174 178.408 176.600 -0.610 0.000 1.042 655 K CA 0.641 56.756 56.287 -0.288 0.000 0.949 655 K CB -0.200 32.165 32.500 -0.225 0.000 0.740 655 K HN -0.059 nan 8.250 nan 0.000 0.442 656 V N 1.717 121.184 119.914 -0.746 0.000 2.453 656 V HA -0.142 3.978 4.120 0.001 0.000 0.247 656 V C 1.890 177.711 176.094 -0.454 0.000 1.048 656 V CA 1.339 63.069 62.300 -0.950 0.000 1.049 656 V CB -0.192 31.265 31.823 -0.610 0.000 0.672 656 V HN 0.288 nan 8.190 nan 0.000 0.457 657 I N 0.511 120.864 120.570 -0.361 0.000 2.226 657 I HA -0.137 4.033 4.170 0.001 0.000 0.245 657 I C -0.286 175.700 176.117 -0.219 0.000 1.100 657 I CA 1.521 62.552 61.300 -0.448 0.000 1.374 657 I CB -1.417 36.229 38.000 -0.590 0.000 1.057 657 I HN 0.367 nan 8.210 nan 0.000 0.413 658 P HA -0.128 nan 4.420 nan 0.000 0.223 658 P C 0.596 177.873 177.300 -0.038 0.000 1.144 658 P CA 1.187 64.243 63.100 -0.074 0.000 0.783 658 P CB 0.079 31.739 31.700 -0.067 0.000 0.771 659 A N -1.743 121.045 122.820 -0.053 0.000 2.535 659 A HA 0.606 4.926 4.320 0.001 0.000 0.273 659 A C 0.732 178.428 177.584 0.188 0.000 1.267 659 A CA -0.154 51.922 52.037 0.064 0.000 0.940 659 A CB -0.278 18.803 19.000 0.135 0.000 1.101 659 A HN 0.144 nan 8.150 nan 0.000 0.521 660 A N -0.344 122.572 122.820 0.160 0.000 2.305 660 A HA 0.592 4.912 4.320 0.001 0.000 0.322 660 A C 0.118 177.840 177.584 0.229 0.000 1.187 660 A CA -0.414 51.779 52.037 0.260 0.000 0.825 660 A CB 0.636 19.884 19.000 0.413 0.000 1.164 660 A HN 0.213 nan 8.150 nan 0.000 0.498 661 D N 0.497 121.020 120.400 0.206 0.000 2.394 661 D HA 0.104 4.745 4.640 0.001 0.000 0.226 661 D C -0.267 176.186 176.300 0.254 0.000 0.990 661 D CA 0.780 54.932 54.000 0.253 0.000 0.902 661 D CB 0.397 41.252 40.800 0.093 0.000 1.038 661 D HN 0.346 nan 8.370 nan 0.000 0.499 662 L N 0.606 121.881 121.223 0.086 0.000 2.381 662 L HA 0.366 4.706 4.340 0.001 0.000 0.274 662 L C -0.797 175.963 176.870 -0.183 0.000 0.988 662 L CA -0.656 54.177 54.840 -0.012 0.000 0.824 662 L CB 2.166 44.187 42.059 -0.064 0.000 1.263 662 L HN -0.300 nan 8.230 nan 0.000 0.410 663 S N 4.267 119.783 115.700 -0.306 0.000 2.404 663 S HA 0.357 4.827 4.470 0.001 0.000 0.309 663 S C -0.332 174.011 174.600 -0.429 0.000 1.076 663 S CA -0.522 57.273 58.200 -0.674 0.000 1.095 663 S CB 0.045 62.889 63.200 -0.592 0.000 0.972 663 S HN 0.655 nan 8.310 nan 0.000 0.484 664 E N 4.139 124.098 120.200 -0.402 0.000 1.941 664 E HA 0.106 4.457 4.350 0.001 0.000 0.275 664 E C -0.339 176.156 176.600 -0.175 0.000 1.113 664 E CA -0.291 55.985 56.400 -0.207 0.000 0.878 664 E CB 0.626 30.231 29.700 -0.159 0.000 1.070 664 E HN 0.606 nan 8.360 nan 0.000 0.399 665 Q N 2.401 122.147 119.800 -0.090 0.000 3.035 665 Q HA 0.176 4.517 4.340 0.001 0.000 0.354 665 Q C 0.806 176.809 176.000 0.005 0.000 1.247 665 Q CA -0.094 55.677 55.803 -0.054 0.000 1.068 665 Q CB -0.298 28.425 28.738 -0.024 0.000 1.424 665 Q HN 0.589 nan 8.270 nan 0.000 0.486 666 I N -2.436 118.125 120.570 -0.016 0.000 3.837 666 I HA 0.297 4.467 4.170 0.001 0.000 0.332 666 I C -0.100 176.002 176.117 -0.025 0.000 1.484 666 I CA -0.394 60.923 61.300 0.027 0.000 1.223 666 I CB 0.251 38.204 38.000 -0.078 0.000 1.257 666 I HN -0.183 nan 8.210 nan 0.000 0.421 667 S N 1.149 116.828 115.700 -0.035 0.000 2.601 667 S HA 0.252 4.722 4.470 0.001 0.000 0.271 667 S C 0.584 175.190 174.600 0.010 0.000 1.305 667 S CA -0.404 57.789 58.200 -0.011 0.000 1.022 667 S CB 0.981 64.199 63.200 0.031 0.000 0.940 667 S HN 0.467 nan 8.310 nan 0.000 0.525 668 T N 3.047 117.642 114.554 0.069 0.000 2.891 668 T HA 0.199 4.550 4.350 0.001 0.000 0.296 668 T C 0.570 175.280 174.700 0.015 0.000 1.025 668 T CA -0.094 62.041 62.100 0.058 0.000 1.149 668 T CB -0.021 68.957 68.868 0.184 0.000 1.007 668 T HN 0.753 nan 8.240 nan 0.000 0.528 669 A N 2.642 125.437 122.820 -0.041 0.000 2.498 669 A HA 0.526 4.846 4.320 0.001 0.000 0.239 669 A C 1.632 179.201 177.584 -0.025 0.000 1.068 669 A CA 0.241 52.249 52.037 -0.048 0.000 0.766 669 A CB -0.634 18.324 19.000 -0.070 0.000 1.003 669 A HN 1.593 nan 8.150 nan 0.000 0.497 670 G N 0.926 109.708 108.800 -0.030 0.000 2.399 670 G HA2 -0.298 3.662 3.960 0.001 0.000 0.216 670 G HA3 -0.298 3.662 3.960 0.001 0.000 0.216 670 G C 1.299 176.171 174.900 -0.047 0.000 1.096 670 G CA 0.944 46.024 45.100 -0.033 0.000 0.650 670 G HN 1.940 nan 8.290 nan 0.000 0.512 671 T N -1.010 113.524 114.554 -0.033 0.000 3.035 671 T HA 0.372 4.723 4.350 0.001 0.000 0.268 671 T C 0.796 175.405 174.700 -0.153 0.000 1.109 671 T CA 1.752 63.776 62.100 -0.126 0.000 1.119 671 T CB 0.456 69.233 68.868 -0.151 0.000 0.900 671 T HN 0.499 nan 8.240 nan 0.000 0.503 672 E N -0.368 119.804 120.200 -0.047 0.000 2.202 672 E HA 0.737 5.087 4.350 0.001 0.000 0.272 672 E C 0.451 176.996 176.600 -0.092 0.000 0.951 672 E CA -0.130 56.258 56.400 -0.019 0.000 0.813 672 E CB 1.669 31.392 29.700 0.038 0.000 1.151 672 E HN 0.129 nan 8.360 nan 0.000 0.398 673 A N 2.220 124.954 122.820 -0.144 0.000 1.970 673 A HA 0.243 4.564 4.320 0.001 0.000 0.204 673 A C 1.251 178.772 177.584 -0.105 0.000 1.325 673 A CA 0.741 52.629 52.037 -0.249 0.000 0.767 673 A CB 0.151 18.764 19.000 -0.646 0.000 0.949 673 A HN 0.474 nan 8.150 nan 0.000 0.481 674 S N -2.480 113.189 115.700 -0.050 0.000 4.333 674 S HA 0.581 5.052 4.470 0.001 0.000 0.203 674 S C -0.201 174.391 174.600 -0.013 0.000 1.107 674 S CA 0.407 58.607 58.200 -0.001 0.000 1.753 674 S CB 1.169 64.400 63.200 0.051 0.000 1.009 674 S HN 1.672 nan 8.310 nan 0.000 0.779 675 G N 1.418 110.209 108.800 -0.014 0.000 2.496 675 G HA2 0.121 4.081 3.960 0.001 0.000 0.220 675 G HA3 0.121 4.081 3.960 0.001 0.000 0.220 675 G C 0.182 175.048 174.900 -0.057 0.000 3.253 675 G CA 0.423 45.504 45.100 -0.032 0.000 0.843 675 G HN 0.741 nan 8.290 nan 0.000 0.512 676 T N -1.653 112.867 114.554 -0.056 0.000 2.951 676 T HA 0.088 4.438 4.350 0.001 0.000 0.268 676 T C 2.533 177.144 174.700 -0.148 0.000 1.073 676 T CA 1.966 64.008 62.100 -0.096 0.000 1.134 676 T CB 0.094 68.906 68.868 -0.092 0.000 0.884 676 T HN 1.130 nan 8.240 nan 0.000 0.479 677 G N 2.249 110.984 108.800 -0.108 0.000 2.442 677 G HA2 -0.258 3.702 3.960 0.001 0.000 0.219 677 G HA3 -0.258 3.702 3.960 0.001 0.000 0.219 677 G C 1.514 176.463 174.900 0.082 0.000 1.141 677 G CA 0.919 45.975 45.100 -0.073 0.000 0.763 677 G HN 0.539 nan 8.290 nan 0.000 0.554 678 N N 0.768 119.495 118.700 0.045 0.000 2.043 678 N HA -0.126 4.615 4.740 0.001 0.000 0.193 678 N C 2.199 177.726 175.510 0.027 0.000 1.037 678 N CA 1.532 54.611 53.050 0.048 0.000 0.851 678 N CB -0.458 38.008 38.487 -0.034 0.000 1.027 678 N HN 0.325 nan 8.380 nan 0.000 0.422 679 M N 0.403 119.947 119.600 -0.093 0.000 2.108 679 M HA -0.164 4.316 4.480 0.001 0.000 0.261 679 M C 1.949 178.231 176.300 -0.029 0.000 1.066 679 M CA 1.513 56.734 55.300 -0.133 0.000 1.107 679 M CB -0.213 32.289 32.600 -0.162 0.000 1.356 679 M HN 0.027 nan 8.290 nan 0.000 0.406 680 K N 0.122 120.462 120.400 -0.101 0.000 1.987 680 K HA -0.150 4.171 4.320 0.001 0.000 0.216 680 K C 1.565 178.124 176.600 -0.069 0.000 1.051 680 K CA 1.943 58.129 56.287 -0.168 0.000 0.942 680 K CB -0.429 31.782 32.500 -0.480 0.000 0.722 680 K HN 0.103 nan 8.250 nan 0.000 0.444 681 F N 0.718 120.616 119.950 -0.086 0.000 2.154 681 F HA -0.242 4.285 4.527 0.001 0.000 0.301 681 F C 2.484 178.259 175.800 -0.043 0.000 1.087 681 F CA 1.556 59.520 58.000 -0.059 0.000 1.274 681 F CB -0.354 38.600 39.000 -0.078 0.000 1.009 681 F HN 0.112 nan 8.300 nan 0.000 0.485 682 M N -0.313 119.373 119.600 0.143 0.000 2.067 682 M HA -0.231 4.250 4.480 0.001 0.000 0.260 682 M C 2.314 178.669 176.300 0.093 0.000 1.069 682 M CA 1.716 57.067 55.300 0.085 0.000 1.117 682 M CB -0.463 32.198 32.600 0.102 0.000 1.334 682 M HN 0.247 nan 8.290 nan 0.000 0.407 683 L N 0.378 121.664 121.223 0.105 0.000 2.127 683 L HA -0.229 4.111 4.340 0.001 0.000 0.211 683 L C 0.478 177.396 176.870 0.078 0.000 1.089 683 L CA 1.595 56.500 54.840 0.108 0.000 0.757 683 L CB -0.453 41.682 42.059 0.127 0.000 0.899 683 L HN 0.435 nan 8.230 nan 0.000 0.434 684 N N -0.074 118.664 118.700 0.063 0.000 2.378 684 N HA 0.173 4.913 4.740 0.001 0.000 0.243 684 N C 0.593 176.132 175.510 0.048 0.000 1.137 684 N CA 0.633 53.710 53.050 0.045 0.000 0.862 684 N CB 0.511 39.007 38.487 0.015 0.000 1.116 684 N HN 0.323 nan 8.380 nan 0.000 0.499 685 G N -0.200 108.627 108.800 0.044 0.000 2.273 685 G HA2 -0.227 3.733 3.960 0.001 0.000 0.280 685 G HA3 -0.227 3.733 3.960 0.001 0.000 0.280 685 G C 0.023 174.966 174.900 0.072 0.000 1.047 685 G CA 0.317 45.436 45.100 0.032 0.000 0.869 685 G HN 0.562 nan 8.290 nan 0.000 0.502 686 A N -0.592 122.283 122.820 0.091 0.000 2.312 686 A HA 0.880 5.201 4.320 0.001 0.000 0.328 686 A C 0.467 178.037 177.584 -0.023 0.000 1.158 686 A CA -0.662 51.449 52.037 0.123 0.000 0.821 686 A CB 1.082 20.215 19.000 0.222 0.000 1.170 686 A HN 0.661 nan 8.150 nan 0.000 0.490 687 L N 0.550 121.725 121.223 -0.079 0.000 2.431 687 L HA 0.541 4.881 4.340 0.001 0.000 0.260 687 L C 0.199 176.964 176.870 -0.175 0.000 1.098 687 L CA -0.383 54.315 54.840 -0.236 0.000 0.800 687 L CB 1.615 43.424 42.059 -0.418 0.000 1.210 687 L HN 0.713 nan 8.230 nan 0.000 0.465 688 T N 1.769 116.165 114.554 -0.263 0.000 2.861 688 T HA 0.537 4.887 4.350 0.001 0.000 0.287 688 T C -0.749 173.951 174.700 -0.001 0.000 1.003 688 T CA -0.335 61.621 62.100 -0.240 0.000 0.977 688 T CB 2.063 70.653 68.868 -0.464 0.000 0.996 688 T HN 0.361 nan 8.240 nan 0.000 0.448 689 I N 1.778 122.378 120.570 0.049 0.000 2.530 689 I HA 0.806 4.976 4.170 0.001 0.000 0.297 689 I C -0.117 176.174 176.117 0.289 0.000 1.011 689 I CA -0.045 61.382 61.300 0.212 0.000 1.107 689 I CB 1.276 39.289 38.000 0.021 0.000 1.285 689 I HN 0.845 nan 8.210 nan 0.000 0.436 690 G N 3.466 112.560 108.800 0.489 0.000 2.356 690 G HA2 0.345 4.306 3.960 0.001 0.000 0.294 690 G HA3 0.345 4.306 3.960 0.001 0.000 0.294 690 G C -0.991 173.963 174.900 0.090 0.000 1.423 690 G CA -0.272 45.040 45.100 0.355 0.000 0.806 690 G HN 0.666 nan 8.290 nan 0.000 0.527 691 T N -1.945 112.516 114.554 -0.155 0.000 2.849 691 T HA 0.520 4.870 4.350 0.001 0.000 0.284 691 T C 0.590 175.198 174.700 -0.154 0.000 1.004 691 T CA -0.414 61.474 62.100 -0.353 0.000 1.021 691 T CB 1.404 70.072 68.868 -0.333 0.000 1.013 691 T HN 0.595 nan 8.240 nan 0.000 0.527 692 M N 2.959 122.469 119.600 -0.150 0.000 2.974 692 M HA 0.427 4.908 4.480 0.001 0.000 0.301 692 M C -0.981 175.274 176.300 -0.074 0.000 1.409 692 M CA -0.468 54.778 55.300 -0.089 0.000 1.515 692 M CB -1.808 30.743 32.600 -0.081 0.000 1.163 692 M HN 0.852 nan 8.290 nan 0.000 0.520 693 D N 1.431 121.795 120.400 -0.059 0.000 2.639 693 D HA 0.695 5.335 4.640 0.001 0.000 0.271 693 D C 0.539 176.819 176.300 -0.034 0.000 1.254 693 D CA 0.746 54.719 54.000 -0.045 0.000 0.810 693 D CB 0.942 41.715 40.800 -0.046 0.000 1.351 693 D HN 0.574 nan 8.370 nan 0.000 0.427 694 G N 0.530 109.313 108.800 -0.029 0.000 2.672 694 G HA2 -0.255 3.705 3.960 0.001 0.000 0.324 694 G HA3 -0.255 3.705 3.960 0.001 0.000 0.324 694 G C 1.297 176.183 174.900 -0.023 0.000 1.286 694 G CA 1.798 46.883 45.100 -0.025 0.000 1.004 694 G HN 1.315 nan 8.290 nan 0.000 0.548 695 A N -0.526 122.274 122.820 -0.033 0.000 1.978 695 A HA -0.107 4.214 4.320 0.001 0.000 0.220 695 A C 2.229 179.765 177.584 -0.079 0.000 1.170 695 A CA 2.492 54.488 52.037 -0.068 0.000 0.636 695 A CB -0.593 18.346 19.000 -0.102 0.000 0.810 695 A HN 0.693 nan 8.150 nan 0.000 0.448 696 N N 0.320 118.997 118.700 -0.038 0.000 2.149 696 N HA -0.138 4.602 4.740 0.001 0.000 0.188 696 N C 1.670 177.081 175.510 -0.165 0.000 1.019 696 N CA 1.525 54.551 53.050 -0.040 0.000 0.857 696 N CB -0.772 37.730 38.487 0.025 0.000 0.997 696 N HN 0.282 nan 8.380 nan 0.000 0.426 697 V N 1.555 121.406 119.914 -0.104 0.000 2.219 697 V HA -0.258 3.862 4.120 0.001 0.000 0.248 697 V C 2.067 178.102 176.094 -0.097 0.000 1.053 697 V CA 1.881 64.119 62.300 -0.103 0.000 1.009 697 V CB -0.534 31.258 31.823 -0.050 0.000 0.636 697 V HN 0.365 nan 8.190 nan 0.000 0.445 698 E N -0.833 119.361 120.200 -0.010 0.000 2.152 698 E HA -0.151 4.199 4.350 0.001 0.000 0.192 698 E C 2.203 178.918 176.600 0.192 0.000 0.983 698 E CA 1.100 57.561 56.400 0.102 0.000 0.818 698 E CB -0.187 29.645 29.700 0.219 0.000 0.758 698 E HN 0.538 nan 8.360 nan 0.000 0.467 699 M N 0.438 120.080 119.600 0.069 0.000 2.117 699 M HA -0.158 4.323 4.480 0.001 0.000 0.262 699 M C 2.441 178.571 176.300 -0.284 0.000 1.065 699 M CA 1.541 56.879 55.300 0.063 0.000 1.114 699 M CB -0.146 32.460 32.600 0.009 0.000 1.361 699 M HN 0.143 nan 8.290 nan 0.000 0.408 700 A N -0.074 122.273 122.820 -0.790 0.000 1.897 700 A HA -0.192 4.129 4.320 0.001 0.000 0.215 700 A C 1.992 179.356 177.584 -0.366 0.000 1.181 700 A CA 1.730 53.154 52.037 -1.021 0.000 0.620 700 A CB -0.809 17.691 19.000 -0.833 0.000 0.821 700 A HN 0.590 nan 8.150 nan 0.000 0.443 701 E N -0.515 119.558 120.200 -0.211 0.000 2.267 701 E HA -0.255 4.095 4.350 0.001 0.000 0.197 701 E C 1.655 178.231 176.600 -0.041 0.000 0.998 701 E CA 1.555 57.898 56.400 -0.094 0.000 0.830 701 E CB -0.043 29.622 29.700 -0.058 0.000 0.751 701 E HN 0.597 nan 8.360 nan 0.000 0.491 702 E N -0.290 119.909 120.200 -0.002 0.000 2.127 702 E HA 0.115 4.465 4.350 0.001 0.000 0.191 702 E C 1.619 178.257 176.600 0.064 0.000 0.964 702 E CA 1.052 57.478 56.400 0.043 0.000 0.832 702 E CB 0.051 29.819 29.700 0.113 0.000 0.790 702 E HN 0.330 nan 8.360 nan 0.000 0.465 703 A N -0.130 122.748 122.820 0.096 0.000 1.935 703 A HA 0.413 4.733 4.320 0.001 0.000 0.214 703 A C 1.031 178.665 177.584 0.084 0.000 1.178 703 A CA 1.027 53.155 52.037 0.151 0.000 0.640 703 A CB -0.292 18.921 19.000 0.355 0.000 0.825 703 A HN 0.291 nan 8.150 nan 0.000 0.447 704 G N -0.768 108.049 108.800 0.027 0.000 3.367 704 G HA2 -0.069 3.891 3.960 0.001 0.000 0.686 704 G HA3 -0.069 3.891 3.960 0.001 0.000 0.686 704 G C -0.001 174.902 174.900 0.005 0.000 1.146 704 G CA 0.206 45.305 45.100 -0.001 0.000 0.913 704 G HN 0.308 nan 8.290 nan 0.000 0.554 705 E N 0.561 120.735 120.200 -0.044 0.000 2.273 705 E HA -0.218 4.133 4.350 0.001 0.000 0.198 705 E C 2.061 178.655 176.600 -0.009 0.000 1.002 705 E CA 2.093 58.469 56.400 -0.039 0.000 0.828 705 E CB 0.137 29.804 29.700 -0.056 0.000 0.747 705 E HN 0.711 nan 8.360 nan 0.000 0.491 706 E N 0.495 120.680 120.200 -0.026 0.000 2.077 706 E HA -0.148 4.203 4.350 0.001 0.000 0.193 706 E C 1.313 177.837 176.600 -0.126 0.000 0.989 706 E CA 1.077 57.437 56.400 -0.067 0.000 0.800 706 E CB -0.137 29.532 29.700 -0.051 0.000 0.746 706 E HN 0.239 nan 8.360 nan 0.000 0.452 707 N N -0.264 118.410 118.700 -0.043 0.000 2.515 707 N HA 0.038 4.778 4.740 0.001 0.000 0.191 707 N C -0.623 174.868 175.510 -0.032 0.000 1.182 707 N CA 0.404 53.419 53.050 -0.058 0.000 0.879 707 N CB 0.129 38.639 38.487 0.039 0.000 0.984 707 N HN 0.048 nan 8.380 nan 0.000 0.453 708 F N -0.925 118.862 119.950 -0.271 0.000 2.598 708 F HA 0.403 4.931 4.527 0.001 0.000 0.327 708 F C -0.191 175.415 175.800 -0.324 0.000 1.057 708 F CA -1.240 56.645 58.000 -0.192 0.000 0.957 708 F CB 1.096 40.058 39.000 -0.063 0.000 1.278 708 F HN -0.253 nan 8.300 nan 0.000 0.484 709 F N 3.497 123.535 119.950 0.148 0.000 2.550 709 F HA 0.344 4.871 4.527 0.001 0.000 0.312 709 F C -0.214 175.748 175.800 0.270 0.000 1.256 709 F CA -0.542 57.551 58.000 0.155 0.000 1.182 709 F CB -0.186 38.857 39.000 0.072 0.000 1.383 709 F HN -0.034 nan 8.300 nan 0.000 0.541 710 I N 2.696 123.474 120.570 0.348 0.000 2.648 710 I HA 0.065 4.236 4.170 0.001 0.000 0.284 710 I C -0.009 176.283 176.117 0.292 0.000 1.153 710 I CA 0.039 61.495 61.300 0.261 0.000 1.426 710 I CB -0.501 37.565 38.000 0.111 0.000 1.381 710 I HN 0.254 nan 8.210 nan 0.000 0.571 711 F N 3.042 123.065 119.950 0.121 0.000 2.631 711 F HA 0.824 5.352 4.527 0.001 0.000 0.308 711 F C 0.022 175.873 175.800 0.084 0.000 1.097 711 F CA -0.355 57.712 58.000 0.112 0.000 0.952 711 F CB 1.254 40.345 39.000 0.152 0.000 1.307 711 F HN 0.841 nan 8.300 nan 0.000 0.450 712 G N 1.702 110.489 108.800 -0.021 0.000 2.698 712 G HA2 -0.093 3.868 3.960 0.001 0.000 0.225 712 G HA3 -0.093 3.868 3.960 0.001 0.000 0.225 712 G C -0.921 173.906 174.900 -0.122 0.000 1.345 712 G CA -0.602 44.436 45.100 -0.104 0.000 0.871 712 G HN 0.982 nan 8.290 nan 0.000 0.540 713 M N 1.482 121.028 119.600 -0.091 0.000 2.268 713 M HA 0.241 4.721 4.480 0.001 0.000 0.349 713 M C 1.337 177.586 176.300 -0.084 0.000 1.485 713 M CA -0.053 55.215 55.300 -0.053 0.000 1.094 713 M CB 0.351 32.938 32.600 -0.022 0.000 1.843 713 M HN 0.453 nan 8.290 nan 0.000 0.460 714 R N 1.693 122.159 120.500 -0.057 0.000 2.726 714 R HA 0.097 4.437 4.340 0.001 0.000 0.272 714 R C 1.313 177.588 176.300 -0.042 0.000 1.097 714 R CA -0.331 55.735 56.100 -0.056 0.000 1.198 714 R CB 0.312 30.589 30.300 -0.038 0.000 1.114 714 R HN 0.620 nan 8.270 nan 0.000 0.550 715 V N 1.515 121.406 119.914 -0.039 0.000 2.324 715 V HA -0.293 3.827 4.120 0.001 0.000 0.250 715 V C 1.645 177.727 176.094 -0.020 0.000 1.060 715 V CA 2.160 64.441 62.300 -0.031 0.000 1.042 715 V CB -0.321 31.484 31.823 -0.031 0.000 0.650 715 V HN 0.652 nan 8.190 nan 0.000 0.450 716 E N 0.427 120.617 120.200 -0.016 0.000 2.114 716 E HA -0.238 4.112 4.350 0.001 0.000 0.199 716 E C 1.871 178.472 176.600 0.002 0.000 1.008 716 E CA 1.944 58.340 56.400 -0.007 0.000 0.810 716 E CB -0.464 29.233 29.700 -0.005 0.000 0.739 716 E HN 0.713 nan 8.360 nan 0.000 0.456 717 D N -0.580 119.822 120.400 0.003 0.000 2.277 717 D HA -0.083 4.558 4.640 0.001 0.000 0.208 717 D C 1.984 178.297 176.300 0.022 0.000 0.962 717 D CA 1.075 55.087 54.000 0.019 0.000 0.865 717 D CB -0.002 40.812 40.800 0.022 0.000 0.939 717 D HN 0.276 nan 8.370 nan 0.000 0.510 718 V N -0.312 119.602 119.914 0.001 0.000 2.725 718 V HA -0.075 4.045 4.120 0.001 0.000 0.247 718 V C 1.523 177.616 176.094 -0.001 0.000 1.058 718 V CA 1.213 63.509 62.300 -0.007 0.000 1.080 718 V CB -0.066 31.734 31.823 -0.038 0.000 0.713 718 V HN -0.191 nan 8.190 nan 0.000 0.465 719 D N 0.956 121.354 120.400 -0.002 0.000 2.097 719 D HA -0.209 4.432 4.640 0.001 0.000 0.195 719 D C 2.245 178.555 176.300 0.016 0.000 0.989 719 D CA 2.037 56.037 54.000 0.001 0.000 0.827 719 D CB -0.308 40.491 40.800 -0.002 0.000 0.966 719 D HN 0.496 nan 8.370 nan 0.000 0.456 720 R N 0.049 120.564 120.500 0.024 0.000 2.127 720 R HA -0.148 4.192 4.340 0.001 0.000 0.238 720 R C 2.268 178.600 176.300 0.054 0.000 1.134 720 R CA 0.784 56.905 56.100 0.035 0.000 0.975 720 R CB -0.267 30.055 30.300 0.037 0.000 0.865 720 R HN 0.079 nan 8.270 nan 0.000 0.447 721 L N 0.727 121.991 121.223 0.069 0.000 2.044 721 L HA -0.130 4.211 4.340 0.001 0.000 0.205 721 L C 1.542 178.471 176.870 0.099 0.000 1.075 721 L CA 1.813 56.721 54.840 0.113 0.000 0.747 721 L CB -0.312 41.832 42.059 0.143 0.000 0.903 721 L HN 0.164 nan 8.230 nan 0.000 0.435 722 D N -0.961 119.472 120.400 0.055 0.000 2.178 722 D HA -0.217 4.423 4.640 0.001 0.000 0.201 722 D C 2.066 178.389 176.300 0.039 0.000 0.980 722 D CA 1.111 55.135 54.000 0.038 0.000 0.842 722 D CB 0.062 40.865 40.800 0.004 0.000 0.948 722 D HN 0.516 nan 8.370 nan 0.000 0.472 723 Q N 0.065 119.887 119.800 0.036 0.000 2.119 723 Q HA -0.114 4.227 4.340 0.001 0.000 0.201 723 Q C 2.141 178.164 176.000 0.038 0.000 0.972 723 Q CA 1.040 56.862 55.803 0.031 0.000 0.847 723 Q CB 0.011 28.764 28.738 0.026 0.000 0.903 723 Q HN 0.317 nan 8.270 nan 0.000 0.433 724 R N -0.488 120.043 120.500 0.051 0.000 2.280 724 R HA 0.228 4.568 4.340 0.001 0.000 0.195 724 R C 0.134 176.468 176.300 0.056 0.000 0.935 724 R CA 0.643 56.773 56.100 0.050 0.000 1.033 724 R CB 0.334 30.667 30.300 0.055 0.000 0.964 724 R HN 0.040 nan 8.270 nan 0.000 0.489 725 G N 1.224 110.069 108.800 0.074 0.000 3.391 725 G HA2 -0.281 3.680 3.960 0.001 0.000 0.683 725 G HA3 -0.281 3.680 3.960 0.001 0.000 0.683 725 G C -1.083 173.893 174.900 0.127 0.000 1.071 725 G CA -0.257 44.893 45.100 0.084 0.000 0.904 725 G HN 0.395 nan 8.290 nan 0.000 0.452 726 Y N 3.522 123.846 120.300 0.039 0.000 2.402 726 Y HA 0.573 5.123 4.550 0.001 0.000 0.333 726 Y C 0.162 176.110 175.900 0.080 0.000 1.076 726 Y CA -0.643 57.500 58.100 0.073 0.000 1.299 726 Y CB 1.041 39.522 38.460 0.035 0.000 1.197 726 Y HN 0.633 nan 8.280 nan 0.000 0.517 727 N N 4.660 123.126 118.700 -0.390 0.000 2.442 727 N HA 0.347 5.088 4.740 0.001 0.000 0.274 727 N C -0.024 175.197 175.510 -0.480 0.000 1.002 727 N CA 0.121 52.953 53.050 -0.362 0.000 0.910 727 N CB 1.737 40.143 38.487 -0.135 0.000 1.244 727 N HN 0.842 nan 8.380 nan 0.000 0.492 728 A N 2.949 125.464 122.820 -0.509 0.000 2.066 728 A HA -0.127 4.194 4.320 0.001 0.000 0.218 728 A C 1.714 179.466 177.584 0.280 0.000 1.157 728 A CA 1.135 53.116 52.037 -0.093 0.000 0.670 728 A CB -0.245 18.669 19.000 -0.143 0.000 0.804 728 A HN 0.696 nan 8.150 nan 0.000 0.453 729 Q N 0.574 120.410 119.800 0.060 0.000 2.224 729 Q HA -0.112 4.228 4.340 0.001 0.000 0.203 729 Q C 1.557 177.618 176.000 0.103 0.000 0.970 729 Q CA 1.772 57.618 55.803 0.073 0.000 0.865 729 Q CB -0.405 28.311 28.738 -0.037 0.000 0.922 729 Q HN 0.750 nan 8.270 nan 0.000 0.445 730 E N -1.372 118.834 120.200 0.010 0.000 2.338 730 E HA -0.173 4.177 4.350 0.001 0.000 0.197 730 E C 1.012 177.466 176.600 -0.244 0.000 1.007 730 E CA 0.760 57.076 56.400 -0.141 0.000 0.849 730 E CB -0.005 29.532 29.700 -0.272 0.000 0.774 730 E HN 0.513 nan 8.360 nan 0.000 0.506 731 Y N -1.312 119.044 120.300 0.092 0.000 2.301 731 Y HA -0.111 4.439 4.550 0.001 0.000 0.295 731 Y C 2.084 177.970 175.900 -0.023 0.000 1.126 731 Y CA 0.742 58.883 58.100 0.067 0.000 1.154 731 Y CB -0.491 38.066 38.460 0.162 0.000 1.075 731 Y HN 0.043 nan 8.280 nan 0.000 0.534 732 Y N 1.594 121.895 120.300 0.002 0.000 2.081 732 Y HA -0.332 4.218 4.550 0.001 0.000 0.280 732 Y C 1.974 177.840 175.900 -0.056 0.000 1.163 732 Y CA 2.125 60.166 58.100 -0.099 0.000 1.135 732 Y CB -0.412 38.048 38.460 -0.000 0.000 0.970 732 Y HN 0.103 nan 8.280 nan 0.000 0.498 733 D N -0.264 120.248 120.400 0.187 0.000 2.084 733 D HA -0.158 4.482 4.640 0.001 0.000 0.194 733 D C 2.146 178.433 176.300 -0.020 0.000 0.990 733 D CA 1.317 55.361 54.000 0.074 0.000 0.826 733 D CB -0.302 40.546 40.800 0.080 0.000 0.971 733 D HN 0.289 nan 8.370 nan 0.000 0.453 734 R N 0.227 120.705 120.500 -0.037 0.000 2.237 734 R HA 0.067 4.407 4.340 0.001 0.000 0.219 734 R C 0.639 176.916 176.300 -0.039 0.000 1.080 734 R CA 0.269 56.340 56.100 -0.049 0.000 0.995 734 R CB -0.209 30.048 30.300 -0.072 0.000 0.875 734 R HN 0.312 nan 8.270 nan 0.000 0.462 735 I N 1.588 122.127 120.570 -0.050 0.000 2.464 735 I HA 0.176 4.347 4.170 0.001 0.000 0.277 735 I C -1.802 174.252 176.117 -0.104 0.000 1.040 735 I CA -2.149 59.130 61.300 -0.034 0.000 1.153 735 I CB 2.262 40.294 38.000 0.055 0.000 1.274 735 I HN -0.249 nan 8.210 nan 0.000 0.469 736 P HA -0.160 nan 4.420 nan 0.000 0.215 736 P C 1.191 178.425 177.300 -0.110 0.000 1.153 736 P CA 1.352 64.381 63.100 -0.118 0.000 0.853 736 P CB 0.315 31.968 31.700 -0.079 0.000 0.788 737 E N -0.936 119.242 120.200 -0.037 0.000 2.077 737 E HA -0.177 4.174 4.350 0.001 0.000 0.193 737 E C 1.878 178.453 176.600 -0.042 0.000 0.989 737 E CA 0.792 57.194 56.400 0.002 0.000 0.800 737 E CB -0.650 29.114 29.700 0.107 0.000 0.746 737 E HN 0.111 nan 8.360 nan 0.000 0.452 738 L N 1.472 122.647 121.223 -0.080 0.000 1.994 738 L HA -0.168 4.172 4.340 0.001 0.000 0.208 738 L C 2.378 179.029 176.870 -0.365 0.000 1.071 738 L CA 1.737 56.374 54.840 -0.337 0.000 0.745 738 L CB -0.446 41.348 42.059 -0.441 0.000 0.892 738 L HN -0.059 nan 8.230 nan 0.000 0.431 739 R N -0.747 119.461 120.500 -0.487 0.000 2.133 739 R HA -0.272 4.068 4.340 0.001 0.000 0.247 739 R C 2.366 178.466 176.300 -0.333 0.000 1.151 739 R CA 2.192 57.853 56.100 -0.731 0.000 0.971 739 R CB -0.344 29.497 30.300 -0.766 0.000 0.866 739 R HN 0.665 nan 8.270 nan 0.000 0.447 740 Q N 0.384 120.052 119.800 -0.220 0.000 2.050 740 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 740 Q C 2.164 178.102 176.000 -0.103 0.000 0.980 740 Q CA 1.859 57.577 55.803 -0.142 0.000 0.840 740 Q CB -0.123 28.540 28.738 -0.124 0.000 0.898 740 Q HN 0.437 nan 8.270 nan 0.000 0.424 741 I N 0.284 120.800 120.570 -0.090 0.000 2.127 741 I HA -0.312 3.858 4.170 0.001 0.000 0.241 741 I C 2.161 178.302 176.117 0.041 0.000 1.075 741 I CA 1.097 62.385 61.300 -0.021 0.000 1.334 741 I CB -0.244 37.719 38.000 -0.062 0.000 1.040 741 I HN 0.269 nan 8.210 nan 0.000 0.405 742 I N 0.677 121.279 120.570 0.053 0.000 2.454 742 I HA -0.248 3.923 4.170 0.001 0.000 0.254 742 I C 2.349 178.568 176.117 0.171 0.000 1.156 742 I CA 1.423 62.828 61.300 0.174 0.000 1.433 742 I CB -0.471 37.738 38.000 0.349 0.000 1.082 742 I HN 0.191 nan 8.210 nan 0.000 0.432 743 E N 0.032 120.296 120.200 0.107 0.000 2.058 743 E HA -0.285 4.065 4.350 0.001 0.000 0.194 743 E C 2.207 178.851 176.600 0.073 0.000 0.997 743 E CA 1.261 57.712 56.400 0.085 0.000 0.801 743 E CB -0.161 29.548 29.700 0.014 0.000 0.746 743 E HN 0.564 nan 8.360 nan 0.000 0.450 744 Q N 0.398 120.214 119.800 0.028 0.000 2.030 744 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 744 Q C 2.409 178.546 176.000 0.228 0.000 0.986 744 Q CA 1.214 57.035 55.803 0.029 0.000 0.843 744 Q CB -0.156 28.524 28.738 -0.097 0.000 0.904 744 Q HN 0.312 nan 8.270 nan 0.000 0.420 745 L N 0.010 121.394 121.223 0.268 0.000 2.012 745 L HA -0.214 4.126 4.340 0.001 0.000 0.210 745 L C 2.474 179.513 176.870 0.281 0.000 1.073 745 L CA 1.062 56.094 54.840 0.320 0.000 0.748 745 L CB -0.361 41.833 42.059 0.225 0.000 0.891 745 L HN 0.161 nan 8.230 nan 0.000 0.431 746 S N -0.416 115.411 115.700 0.211 0.000 2.402 746 S HA -0.114 4.357 4.470 0.001 0.000 0.229 746 S C 1.850 176.547 174.600 0.160 0.000 1.021 746 S CA 1.362 59.670 58.200 0.180 0.000 0.974 746 S CB -0.146 63.145 63.200 0.152 0.000 0.800 746 S HN 0.559 nan 8.310 nan 0.000 0.484 747 S N 0.528 116.320 115.700 0.154 0.000 2.701 747 S HA 0.383 4.853 4.470 0.001 0.000 0.220 747 S C 1.380 176.063 174.600 0.139 0.000 0.954 747 S CA 0.378 58.656 58.200 0.129 0.000 0.936 747 S CB -0.187 63.078 63.200 0.108 0.000 0.777 747 S HN 0.691 nan 8.310 nan 0.000 0.518 748 G N 0.967 109.869 108.800 0.171 0.000 2.148 748 G HA2 -0.361 3.600 3.960 0.001 0.000 0.254 748 G HA3 -0.361 3.600 3.960 0.001 0.000 0.254 748 G C 0.269 175.255 174.900 0.143 0.000 0.981 748 G CA 0.234 45.423 45.100 0.148 0.000 0.670 748 G HN 0.543 nan 8.290 nan 0.000 0.528 749 F N 0.435 120.386 119.950 0.001 0.000 2.095 749 F HA 0.149 4.677 4.527 0.001 0.000 0.298 749 F C 1.879 177.519 175.800 -0.266 0.000 1.104 749 F CA 1.955 59.848 58.000 -0.179 0.000 1.232 749 F CB -0.164 38.631 39.000 -0.342 0.000 0.987 749 F HN 0.138 nan 8.300 nan 0.000 0.475 750 F N 0.079 120.103 119.950 0.123 0.000 2.664 750 F HA 0.177 4.705 4.527 0.001 0.000 0.301 750 F C 0.823 176.672 175.800 0.080 0.000 1.126 750 F CA 0.296 58.301 58.000 0.008 0.000 1.373 750 F CB -0.415 38.647 39.000 0.102 0.000 1.042 750 F HN -0.007 nan 8.300 nan 0.000 0.535 751 S N -1.702 114.095 115.700 0.162 0.000 2.801 751 S HA 0.168 4.638 4.470 0.001 0.000 0.236 751 S C -1.911 172.700 174.600 0.017 0.000 0.852 751 S CA -0.622 57.636 58.200 0.097 0.000 1.089 751 S CB 0.207 63.457 63.200 0.083 0.000 1.376 751 S HN -0.012 nan 8.310 nan 0.000 0.470 752 P HA -0.192 nan 4.420 nan 0.000 0.217 752 P C 1.538 178.833 177.300 -0.008 0.000 1.150 752 P CA 1.405 64.490 63.100 -0.024 0.000 0.832 752 P CB 0.005 31.667 31.700 -0.063 0.000 0.787 753 K N 1.218 121.613 120.400 -0.009 0.000 2.152 753 K HA -0.159 4.162 4.320 0.001 0.000 0.206 753 K C 0.889 177.489 176.600 -0.000 0.000 1.048 753 K CA 1.213 57.498 56.287 -0.003 0.000 0.933 753 K CB -0.775 31.725 32.500 0.000 0.000 0.721 753 K HN 0.434 nan 8.250 nan 0.000 0.447 754 Q N 0.441 120.238 119.800 -0.006 0.000 2.589 754 Q HA 0.319 4.659 4.340 0.001 0.000 0.245 754 Q C -2.497 173.493 176.000 -0.016 0.000 0.931 754 Q CA -1.766 54.032 55.803 -0.009 0.000 0.730 754 Q CB 2.026 30.757 28.738 -0.012 0.000 1.315 754 Q HN -0.143 nan 8.270 nan 0.000 0.469 755 P HA -0.186 nan 4.420 nan 0.000 0.221 755 P C 0.038 177.368 177.300 0.049 0.000 1.150 755 P CA 1.197 64.321 63.100 0.040 0.000 0.800 755 P CB 0.260 31.989 31.700 0.048 0.000 0.787 756 D N -0.639 119.778 120.400 0.028 0.000 2.395 756 D HA 0.020 4.660 4.640 0.001 0.000 0.226 756 D C 1.712 178.017 176.300 0.009 0.000 1.146 756 D CA -0.406 53.620 54.000 0.044 0.000 0.830 756 D CB -0.225 40.604 40.800 0.049 0.000 0.958 756 D HN 0.048 nan 8.370 nan 0.000 0.501 757 L N 0.060 121.221 121.223 -0.103 0.000 2.013 757 L HA -0.170 4.170 4.340 0.001 0.000 0.212 757 L C 1.061 177.757 176.870 -0.291 0.000 1.073 757 L CA 1.780 56.438 54.840 -0.304 0.000 0.753 757 L CB -0.425 41.206 42.059 -0.714 0.000 0.890 757 L HN -0.055 nan 8.230 nan 0.000 0.432 758 F N -1.163 118.839 119.950 0.086 0.000 2.668 758 F HA 0.218 4.745 4.527 0.001 0.000 0.297 758 F C 1.735 177.587 175.800 0.086 0.000 1.124 758 F CA -0.420 57.621 58.000 0.068 0.000 1.353 758 F CB -0.530 38.501 39.000 0.052 0.000 0.992 758 F HN -0.108 nan 8.300 nan 0.000 0.524 759 K N 0.457 120.983 120.400 0.210 0.000 2.147 759 K HA -0.141 4.179 4.320 0.001 0.000 0.205 759 K C 1.313 178.021 176.600 0.180 0.000 1.049 759 K CA 1.093 57.487 56.287 0.178 0.000 0.936 759 K CB -0.239 32.342 32.500 0.134 0.000 0.722 759 K HN 0.294 nan 8.250 nan 0.000 0.446 760 D N 0.816 121.328 120.400 0.186 0.000 2.178 760 D HA -0.137 4.503 4.640 0.001 0.000 0.201 760 D C 1.932 178.329 176.300 0.162 0.000 0.980 760 D CA 0.956 55.066 54.000 0.183 0.000 0.842 760 D CB -0.020 40.901 40.800 0.201 0.000 0.948 760 D HN 0.370 nan 8.370 nan 0.000 0.472 761 I N -1.421 119.242 120.570 0.156 0.000 2.406 761 I HA -0.145 4.025 4.170 0.001 0.000 0.249 761 I C 2.117 178.297 176.117 0.105 0.000 1.122 761 I CA 0.616 61.976 61.300 0.100 0.000 1.431 761 I CB -0.224 37.804 38.000 0.047 0.000 1.087 761 I HN -0.258 nan 8.210 nan 0.000 0.424 762 V N 2.213 122.211 119.914 0.140 0.000 2.233 762 V HA -0.300 3.821 4.120 0.001 0.000 0.247 762 V C 2.658 178.820 176.094 0.115 0.000 1.050 762 V CA 2.505 64.885 62.300 0.135 0.000 1.010 762 V CB -1.412 30.509 31.823 0.163 0.000 0.637 762 V HN 0.620 nan 8.190 nan 0.000 0.444 763 N N -0.053 118.749 118.700 0.171 0.000 2.094 763 N HA -0.232 4.508 4.740 0.001 0.000 0.191 763 N C 1.915 177.569 175.510 0.240 0.000 1.023 763 N CA 2.276 55.486 53.050 0.266 0.000 0.857 763 N CB -0.303 38.350 38.487 0.276 0.000 1.013 763 N HN 0.447 nan 8.380 nan 0.000 0.426 764 M N 0.600 120.333 119.600 0.223 0.000 2.086 764 M HA -0.148 4.332 4.480 0.001 0.000 0.261 764 M C 2.099 178.406 176.300 0.013 0.000 1.067 764 M CA 1.122 56.553 55.300 0.217 0.000 1.116 764 M CB -0.497 32.212 32.600 0.180 0.000 1.348 764 M HN 0.161 nan 8.290 nan 0.000 0.407 765 L N 0.172 121.355 121.223 -0.066 0.000 2.013 765 L HA -0.292 4.049 4.340 0.001 0.000 0.212 765 L C 2.590 179.160 176.870 -0.499 0.000 1.073 765 L CA 1.250 55.924 54.840 -0.276 0.000 0.753 765 L CB -0.649 41.297 42.059 -0.188 0.000 0.890 765 L HN 0.366 nan 8.230 nan 0.000 0.432 766 M N -1.653 117.738 119.600 -0.348 0.000 2.419 766 M HA -0.089 4.391 4.480 0.001 0.000 0.264 766 M C 1.267 177.145 176.300 -0.703 0.000 1.082 766 M CA 1.749 56.755 55.300 -0.490 0.000 1.119 766 M CB -0.845 31.374 32.600 -0.635 0.000 1.398 766 M HN 0.365 nan 8.290 nan 0.000 0.453 767 H N -3.302 115.578 119.070 -0.316 0.000 3.899 767 H HA 0.208 4.764 4.556 0.001 0.000 0.260 767 H C 0.387 175.363 175.328 -0.586 0.000 1.122 767 H CA 0.057 55.809 56.048 -0.494 0.000 1.165 767 H CB 0.581 29.873 29.762 -0.784 0.000 1.503 767 H HN 0.281 nan 8.280 nan 0.000 0.671 768 H N -0.253 118.876 119.070 0.099 0.000 2.750 768 H HA 0.111 4.668 4.556 0.001 0.000 0.252 768 H C -0.308 175.019 175.328 -0.002 0.000 1.176 768 H CA -0.175 55.907 56.048 0.058 0.000 0.987 768 H CB 0.789 30.592 29.762 0.069 0.000 1.810 768 H HN 0.206 nan 8.280 nan 0.000 0.630 769 D N 1.946 122.354 120.400 0.013 0.000 2.441 769 D HA 0.018 4.658 4.640 0.001 0.000 0.243 769 D C 1.172 177.338 176.300 -0.224 0.000 1.257 769 D CA -0.068 53.885 54.000 -0.078 0.000 1.027 769 D CB 0.213 40.926 40.800 -0.145 0.000 1.084 769 D HN 0.276 nan 8.370 nan 0.000 0.514 770 R N 1.731 122.035 120.500 -0.326 0.000 2.293 770 R HA -0.120 4.220 4.340 0.001 0.000 0.219 770 R C 0.646 176.244 176.300 -1.171 0.000 1.091 770 R CA 0.873 56.532 56.100 -0.734 0.000 1.004 770 R CB 0.095 29.841 30.300 -0.923 0.000 0.865 770 R HN 0.366 nan 8.270 nan 0.000 0.469 771 F N 0.211 120.096 119.950 -0.109 0.000 2.654 771 F HA 0.248 4.775 4.527 0.001 0.000 0.303 771 F C 0.096 175.775 175.800 -0.202 0.000 1.099 771 F CA -0.698 57.238 58.000 -0.106 0.000 1.270 771 F CB 0.239 39.243 39.000 0.006 0.000 1.024 771 F HN -0.247 nan 8.300 nan 0.000 0.548 772 K N -0.221 119.956 120.400 -0.370 0.000 3.278 772 K HA -0.181 4.139 4.320 0.001 0.000 0.270 772 K C 1.012 177.480 176.600 -0.219 0.000 0.955 772 K CA 0.170 56.115 56.287 -0.570 0.000 0.723 772 K CB -1.760 30.339 32.500 -0.669 0.000 1.382 772 K HN 0.199 nan 8.250 nan 0.000 0.461 773 V N 0.049 119.898 119.914 -0.109 0.000 2.332 773 V HA -0.274 3.846 4.120 0.001 0.000 0.248 773 V C 2.023 178.225 176.094 0.180 0.000 1.055 773 V CA 2.042 64.364 62.300 0.036 0.000 1.038 773 V CB -0.469 31.372 31.823 0.031 0.000 0.651 773 V HN 0.421 nan 8.190 nan 0.000 0.450 774 F N 0.789 120.711 119.950 -0.046 0.000 2.134 774 F HA -0.084 4.443 4.527 0.001 0.000 0.299 774 F C 2.476 178.092 175.800 -0.306 0.000 1.097 774 F CA 0.948 58.877 58.000 -0.118 0.000 1.264 774 F CB -1.539 37.346 39.000 -0.192 0.000 1.001 774 F HN 0.177 nan 8.300 nan 0.000 0.479 775 A N -0.841 121.842 122.820 -0.228 0.000 2.125 775 A HA -0.137 4.183 4.320 0.001 0.000 0.219 775 A C 1.435 179.080 177.584 0.101 0.000 1.156 775 A CA 1.739 53.675 52.037 -0.168 0.000 0.671 775 A CB -0.510 18.483 19.000 -0.011 0.000 0.794 775 A HN 0.235 nan 8.150 nan 0.000 0.459 776 D N -2.812 117.683 120.400 0.158 0.000 2.431 776 D HA 0.101 4.742 4.640 0.001 0.000 0.213 776 D C 0.985 177.508 176.300 0.372 0.000 1.130 776 D CA -0.198 53.963 54.000 0.270 0.000 0.834 776 D CB -0.050 40.913 40.800 0.271 0.000 0.985 776 D HN 0.443 nan 8.370 nan 0.000 0.504 777 Y N 2.564 122.989 120.300 0.207 0.000 2.014 777 Y HA -0.236 4.314 4.550 0.001 0.000 0.270 777 Y C 1.968 177.983 175.900 0.192 0.000 1.145 777 Y CA 1.894 60.119 58.100 0.209 0.000 1.106 777 Y CB -0.216 38.332 38.460 0.147 0.000 0.968 777 Y HN -0.089 nan 8.280 nan 0.000 0.484 778 E N -0.512 119.616 120.200 -0.119 0.000 2.058 778 E HA -0.284 4.066 4.350 0.001 0.000 0.194 778 E C 2.118 178.668 176.600 -0.085 0.000 0.997 778 E CA 1.497 57.747 56.400 -0.250 0.000 0.801 778 E CB -0.256 29.408 29.700 -0.060 0.000 0.746 778 E HN 0.371 nan 8.360 nan 0.000 0.450 779 E N 0.291 120.546 120.200 0.090 0.000 2.160 779 E HA -0.202 4.148 4.350 0.001 0.000 0.195 779 E C 1.645 178.344 176.600 0.165 0.000 0.991 779 E CA 0.934 57.436 56.400 0.171 0.000 0.810 779 E CB -0.271 29.597 29.700 0.281 0.000 0.742 779 E HN 0.330 nan 8.360 nan 0.000 0.466 780 Y N -0.226 120.025 120.300 -0.082 0.000 2.153 780 Y HA -0.091 4.459 4.550 0.001 0.000 0.289 780 Y C 2.156 177.776 175.900 -0.466 0.000 1.127 780 Y CA 1.271 59.041 58.100 -0.549 0.000 1.131 780 Y CB -0.610 37.547 38.460 -0.505 0.000 0.995 780 Y HN -0.100 nan 8.280 nan 0.000 0.505 781 V N 1.092 120.748 119.914 -0.431 0.000 2.392 781 V HA -0.336 3.784 4.120 0.001 0.000 0.249 781 V C 2.292 178.212 176.094 -0.291 0.000 1.059 781 V CA 2.338 64.395 62.300 -0.405 0.000 1.051 781 V CB -0.559 31.061 31.823 -0.337 0.000 0.658 781 V HN 0.362 nan 8.190 nan 0.000 0.455 782 K N -1.160 119.118 120.400 -0.203 0.000 2.057 782 K HA -0.190 4.130 4.320 0.001 0.000 0.206 782 K C 2.282 178.824 176.600 -0.097 0.000 1.050 782 K CA 1.616 57.837 56.287 -0.110 0.000 0.935 782 K CB -0.573 31.902 32.500 -0.041 0.000 0.715 782 K HN 0.516 nan 8.250 nan 0.000 0.439 783 C N 1.626 120.856 119.300 -0.118 0.000 2.429 783 C HA -0.089 4.372 4.460 0.001 0.000 0.277 783 C C 2.664 177.528 174.990 -0.209 0.000 1.262 783 C CA 0.822 59.811 59.018 -0.048 0.000 1.733 783 C CB -0.632 27.100 27.740 -0.013 0.000 2.010 783 C HN 0.428 nan 8.230 nan 0.000 0.483 784 Q N 0.322 119.858 119.800 -0.439 0.000 2.226 784 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 784 Q C 1.986 177.819 176.000 -0.279 0.000 0.975 784 Q CA 1.494 56.988 55.803 -0.514 0.000 0.866 784 Q CB -0.345 27.887 28.738 -0.842 0.000 0.915 784 Q HN 0.756 nan 8.270 nan 0.000 0.440 785 E N 0.089 120.183 120.200 -0.176 0.000 2.072 785 E HA -0.100 4.250 4.350 0.001 0.000 0.190 785 E C 2.050 178.633 176.600 -0.027 0.000 0.982 785 E CA 0.401 56.749 56.400 -0.086 0.000 0.803 785 E CB 0.087 29.750 29.700 -0.062 0.000 0.755 785 E HN 0.242 nan 8.360 nan 0.000 0.453 786 R N 0.409 120.919 120.500 0.017 0.000 2.115 786 R HA -0.083 4.257 4.340 0.001 0.000 0.230 786 R C 2.378 178.780 176.300 0.171 0.000 1.111 786 R CA 0.755 56.949 56.100 0.158 0.000 0.976 786 R CB -0.303 30.182 30.300 0.309 0.000 0.870 786 R HN 0.078 nan 8.270 nan 0.000 0.445 787 V N 0.714 120.537 119.914 -0.151 0.000 2.261 787 V HA -0.250 3.871 4.120 0.001 0.000 0.246 787 V C 2.198 178.304 176.094 0.020 0.000 1.047 787 V CA 2.066 64.183 62.300 -0.305 0.000 1.015 787 V CB -0.385 31.069 31.823 -0.615 0.000 0.642 787 V HN 0.291 nan 8.190 nan 0.000 0.446 788 S N 0.043 115.713 115.700 -0.051 0.000 2.382 788 S HA -0.135 4.335 4.470 0.001 0.000 0.228 788 S C 2.192 176.842 174.600 0.083 0.000 1.027 788 S CA 1.260 59.454 58.200 -0.010 0.000 0.991 788 S CB -0.490 62.665 63.200 -0.075 0.000 0.823 788 S HN 0.644 nan 8.310 nan 0.000 0.469 789 A N 1.614 124.492 122.820 0.096 0.000 1.865 789 A HA -0.093 4.228 4.320 0.001 0.000 0.217 789 A C 2.130 179.821 177.584 0.178 0.000 1.191 789 A CA 1.551 53.663 52.037 0.125 0.000 0.623 789 A CB -0.816 18.256 19.000 0.119 0.000 0.826 789 A HN 0.421 nan 8.150 nan 0.000 0.444 790 L N -1.996 119.391 121.223 0.274 0.000 2.093 790 L HA -0.099 4.241 4.340 0.001 0.000 0.208 790 L C 2.257 179.358 176.870 0.385 0.000 1.085 790 L CA 2.002 57.068 54.840 0.377 0.000 0.755 790 L CB -0.902 41.504 42.059 0.578 0.000 0.904 790 L HN 0.500 nan 8.230 nan 0.000 0.435 791 Y N 0.401 120.763 120.300 0.104 0.000 2.274 791 Y HA -0.240 4.310 4.550 0.001 0.000 0.290 791 Y C 2.493 178.296 175.900 -0.162 0.000 1.145 791 Y CA 1.762 59.661 58.100 -0.336 0.000 1.203 791 Y CB -0.156 37.935 38.460 -0.615 0.000 0.984 791 Y HN 0.177 nan 8.280 nan 0.000 0.533 792 K N 0.510 120.913 120.400 0.005 0.000 2.442 792 K HA -0.161 4.160 4.320 0.001 0.000 0.198 792 K C 0.227 176.800 176.600 -0.045 0.000 1.044 792 K CA 0.723 57.017 56.287 0.011 0.000 0.948 792 K CB -0.324 32.259 32.500 0.139 0.000 0.762 792 K HN 0.318 nan 8.250 nan 0.000 0.472 793 N N 0.484 119.171 118.700 -0.021 0.000 2.707 793 N HA 0.111 4.852 4.740 0.001 0.000 0.235 793 N C -2.433 173.066 175.510 -0.018 0.000 1.028 793 N CA -1.761 51.285 53.050 -0.007 0.000 0.906 793 N CB 1.390 39.908 38.487 0.053 0.000 1.131 793 N HN -0.189 nan 8.380 nan 0.000 0.509 794 P HA -0.176 nan 4.420 nan 0.000 0.217 794 P C 1.125 178.434 177.300 0.016 0.000 1.148 794 P CA 1.095 64.132 63.100 -0.105 0.000 0.828 794 P CB 0.196 31.815 31.700 -0.135 0.000 0.783 795 R N -0.311 120.205 120.500 0.026 0.000 2.127 795 R HA -0.031 4.310 4.340 0.001 0.000 0.217 795 R C 1.686 178.029 176.300 0.073 0.000 1.074 795 R CA 0.904 57.030 56.100 0.043 0.000 0.991 795 R CB -0.085 30.231 30.300 0.027 0.000 0.895 795 R HN 0.012 nan 8.270 nan 0.000 0.450 796 E N -0.179 120.076 120.200 0.093 0.000 2.385 796 E HA -0.153 4.198 4.350 0.001 0.000 0.194 796 E C 1.368 178.051 176.600 0.138 0.000 1.013 796 E CA 0.247 56.704 56.400 0.094 0.000 0.866 796 E CB -0.119 29.632 29.700 0.086 0.000 0.832 796 E HN 0.471 nan 8.360 nan 0.000 0.500 797 W N 2.092 123.397 121.300 0.008 0.000 2.378 797 W HA -0.153 4.507 4.660 0.001 0.000 0.313 797 W C 1.441 177.974 176.519 0.023 0.000 1.197 797 W CA 1.913 59.282 57.345 0.039 0.000 1.304 797 W CB -0.272 29.194 29.460 0.010 0.000 1.148 797 W HN 0.004 nan 8.180 nan 0.000 0.494 798 T N 1.300 115.972 114.554 0.196 0.000 2.881 798 T HA -0.172 4.179 4.350 0.001 0.000 0.270 798 T C 1.764 176.461 174.700 -0.005 0.000 1.068 798 T CA 1.420 63.561 62.100 0.070 0.000 1.131 798 T CB -0.297 68.607 68.868 0.060 0.000 0.871 798 T HN 0.192 nan 8.240 nan 0.000 0.479 799 R N 0.180 120.687 120.500 0.012 0.000 2.153 799 R HA 0.239 4.579 4.340 0.001 0.000 0.218 799 R C 2.410 178.695 176.300 -0.025 0.000 1.072 799 R CA 0.595 56.702 56.100 0.013 0.000 0.990 799 R CB -0.275 30.045 30.300 0.032 0.000 0.889 799 R HN 0.379 nan 8.270 nan 0.000 0.452 800 M N 0.544 120.094 119.600 -0.083 0.000 2.200 800 M HA -0.109 4.371 4.480 0.001 0.000 0.265 800 M C 1.893 178.096 176.300 -0.162 0.000 1.066 800 M CA 1.261 56.479 55.300 -0.137 0.000 1.127 800 M CB 0.244 32.713 32.600 -0.220 0.000 1.379 800 M HN -0.053 nan 8.290 nan 0.000 0.420 801 V N 0.837 120.627 119.914 -0.206 0.000 2.270 801 V HA -0.296 3.824 4.120 0.001 0.000 0.245 801 V C 2.201 178.256 176.094 -0.065 0.000 1.043 801 V CA 1.896 64.099 62.300 -0.162 0.000 1.014 801 V CB -0.567 31.165 31.823 -0.152 0.000 0.645 801 V HN 0.481 nan 8.190 nan 0.000 0.447 802 I N -0.492 120.058 120.570 -0.032 0.000 2.248 802 I HA -0.294 3.876 4.170 0.001 0.000 0.248 802 I C 2.753 178.915 176.117 0.075 0.000 1.107 802 I CA 1.597 62.923 61.300 0.044 0.000 1.373 802 I CB -0.464 37.606 38.000 0.117 0.000 1.055 802 I HN 0.258 nan 8.210 nan 0.000 0.418 803 R N 0.586 121.112 120.500 0.043 0.000 2.080 803 R HA -0.164 4.177 4.340 0.001 0.000 0.236 803 R C 2.167 178.505 176.300 0.062 0.000 1.137 803 R CA 1.671 57.801 56.100 0.049 0.000 0.943 803 R CB -0.592 29.723 30.300 0.025 0.000 0.846 803 R HN 0.516 nan 8.270 nan 0.000 0.431 804 N N 0.694 119.418 118.700 0.040 0.000 2.025 804 N HA -0.166 4.574 4.740 0.001 0.000 0.194 804 N C 2.048 177.614 175.510 0.093 0.000 1.044 804 N CA 1.525 54.618 53.050 0.072 0.000 0.851 804 N CB -0.199 38.284 38.487 -0.007 0.000 1.036 804 N HN 0.158 nan 8.380 nan 0.000 0.422 805 I N 1.535 122.144 120.570 0.064 0.000 2.163 805 I HA -0.240 3.930 4.170 0.001 0.000 0.243 805 I C 2.520 178.690 176.117 0.089 0.000 1.085 805 I CA 1.028 62.374 61.300 0.076 0.000 1.347 805 I CB -0.406 37.623 38.000 0.049 0.000 1.044 805 I HN 0.087 nan 8.210 nan 0.000 0.408 806 A N 0.516 123.392 122.820 0.092 0.000 2.024 806 A HA -0.200 4.121 4.320 0.001 0.000 0.220 806 A C 2.193 179.822 177.584 0.074 0.000 1.164 806 A CA 2.278 54.367 52.037 0.085 0.000 0.643 806 A CB -1.030 18.030 19.000 0.099 0.000 0.806 806 A HN 0.567 nan 8.150 nan 0.000 0.451 807 T N -2.606 112.002 114.554 0.091 0.000 3.105 807 T HA 0.122 4.473 4.350 0.001 0.000 0.253 807 T C 1.389 176.159 174.700 0.117 0.000 1.047 807 T CA 0.736 62.888 62.100 0.087 0.000 0.944 807 T CB -0.177 68.747 68.868 0.094 0.000 1.016 807 T HN 0.535 nan 8.240 nan 0.000 0.544 808 S N 0.794 116.590 115.700 0.161 0.000 2.561 808 S HA 0.165 4.635 4.470 0.001 0.000 0.225 808 S C 2.226 176.924 174.600 0.163 0.000 0.977 808 S CA 0.321 58.682 58.200 0.269 0.000 0.926 808 S CB -0.841 62.515 63.200 0.261 0.000 0.769 808 S HN 0.554 nan 8.310 nan 0.000 0.533 809 G N 2.117 110.947 108.800 0.050 0.000 2.501 809 G HA2 -0.215 3.746 3.960 0.001 0.000 0.220 809 G HA3 -0.215 3.746 3.960 0.001 0.000 0.220 809 G C 1.314 176.158 174.900 -0.094 0.000 1.114 809 G CA 0.756 45.862 45.100 0.011 0.000 0.757 809 G HN 0.573 nan 8.290 nan 0.000 0.559 810 K N -0.297 119.918 120.400 -0.308 0.000 2.288 810 K HA 0.031 4.352 4.320 0.001 0.000 0.201 810 K C 0.905 177.181 176.600 -0.539 0.000 1.048 810 K CA 0.368 56.347 56.287 -0.514 0.000 0.956 810 K CB -0.143 31.847 32.500 -0.849 0.000 0.746 810 K HN 0.333 nan 8.250 nan 0.000 0.461 811 F N 0.935 120.927 119.950 0.069 0.000 2.664 811 F HA 0.190 4.717 4.527 0.001 0.000 0.301 811 F C 0.877 176.733 175.800 0.093 0.000 1.126 811 F CA -0.302 57.746 58.000 0.081 0.000 1.373 811 F CB -0.009 39.039 39.000 0.080 0.000 1.042 811 F HN -0.180 nan 8.300 nan 0.000 0.535 812 S N 0.181 115.975 115.700 0.156 0.000 2.562 812 S HA 0.054 4.524 4.470 0.001 0.000 0.281 812 S C 1.497 176.192 174.600 0.157 0.000 1.333 812 S CA 0.083 58.370 58.200 0.145 0.000 1.052 812 S CB 0.604 63.853 63.200 0.083 0.000 0.884 812 S HN 0.388 nan 8.310 nan 0.000 0.506 813 S N 2.982 118.796 115.700 0.189 0.000 2.555 813 S HA -0.045 4.426 4.470 0.001 0.000 0.230 813 S C 0.875 175.524 174.600 0.083 0.000 0.978 813 S CA 0.448 58.773 58.200 0.208 0.000 0.934 813 S CB -0.230 63.174 63.200 0.340 0.000 0.766 813 S HN 0.780 nan 8.310 nan 0.000 0.533 814 D N 1.787 122.225 120.400 0.063 0.000 2.219 814 D HA -0.064 4.576 4.640 0.001 0.000 0.205 814 D C 1.978 178.281 176.300 0.005 0.000 0.970 814 D CA 0.671 54.685 54.000 0.024 0.000 0.851 814 D CB -0.220 40.592 40.800 0.021 0.000 0.943 814 D HN 0.444 nan 8.370 nan 0.000 0.488 815 R N 0.648 121.157 120.500 0.014 0.000 2.052 815 R HA -0.070 4.271 4.340 0.001 0.000 0.226 815 R C 1.943 178.236 176.300 -0.012 0.000 1.145 815 R CA 1.348 57.444 56.100 -0.006 0.000 0.952 815 R CB -0.394 29.898 30.300 -0.013 0.000 0.847 815 R HN 0.021 nan 8.270 nan 0.000 0.431 816 T N 2.168 116.735 114.554 0.022 0.000 2.653 816 T HA -0.165 4.185 4.350 0.001 0.000 0.268 816 T C 1.829 176.512 174.700 -0.027 0.000 1.035 816 T CA 1.401 63.521 62.100 0.033 0.000 1.154 816 T CB -0.136 68.802 68.868 0.117 0.000 0.862 816 T HN 0.134 nan 8.240 nan 0.000 0.441 817 I N 1.333 121.816 120.570 -0.144 0.000 2.439 817 I HA 0.021 4.192 4.170 0.001 0.000 0.251 817 I C 2.771 178.827 176.117 -0.100 0.000 1.139 817 I CA 0.526 61.709 61.300 -0.194 0.000 1.438 817 I CB -1.521 36.365 38.000 -0.189 0.000 1.085 817 I HN 0.205 nan 8.210 nan 0.000 0.427 818 A N 0.117 122.903 122.820 -0.058 0.000 1.968 818 A HA -0.173 4.147 4.320 0.001 0.000 0.217 818 A C 2.184 179.719 177.584 -0.082 0.000 1.169 818 A CA 0.898 52.909 52.037 -0.043 0.000 0.638 818 A CB -0.342 18.644 19.000 -0.024 0.000 0.812 818 A HN 0.476 nan 8.150 nan 0.000 0.446 819 Q N -1.253 118.486 119.800 -0.102 0.000 1.993 819 Q HA -0.211 4.129 4.340 0.001 0.000 0.202 819 Q C 1.974 177.820 176.000 -0.257 0.000 0.984 819 Q CA 1.790 57.501 55.803 -0.154 0.000 0.837 819 Q CB -0.504 28.133 28.738 -0.168 0.000 0.902 819 Q HN 0.770 nan 8.270 nan 0.000 0.423 820 Y N 1.075 121.101 120.300 -0.457 0.000 2.069 820 Y HA -0.328 4.223 4.550 0.001 0.000 0.278 820 Y C 2.616 177.975 175.900 -0.902 0.000 1.175 820 Y CA 1.458 59.053 58.100 -0.841 0.000 1.134 820 Y CB -0.727 36.861 38.460 -1.452 0.000 0.965 820 Y HN 0.198 nan 8.280 nan 0.000 0.498 821 A N -0.085 122.488 122.820 -0.411 0.000 1.865 821 A HA -0.266 4.054 4.320 0.001 0.000 0.217 821 A C 2.207 179.791 177.584 -0.001 0.000 1.191 821 A CA 2.301 54.327 52.037 -0.019 0.000 0.623 821 A CB -0.648 18.421 19.000 0.114 0.000 0.826 821 A HN 0.362 nan 8.150 nan 0.000 0.444 822 R N -0.568 119.902 120.500 -0.050 0.000 2.073 822 R HA -0.015 4.326 4.340 0.001 0.000 0.229 822 R C 1.961 178.235 176.300 -0.043 0.000 1.120 822 R CA 1.788 57.870 56.100 -0.028 0.000 0.967 822 R CB -0.175 30.103 30.300 -0.037 0.000 0.862 822 R HN 0.723 nan 8.270 nan 0.000 0.436 823 E N -1.343 118.794 120.200 -0.105 0.000 2.364 823 E HA 0.130 4.481 4.350 0.001 0.000 0.196 823 E C 1.289 177.839 176.600 -0.085 0.000 0.990 823 E CA 0.474 56.816 56.400 -0.097 0.000 0.886 823 E CB 0.533 30.146 29.700 -0.144 0.000 0.866 823 E HN 0.271 nan 8.360 nan 0.000 0.493 824 I N -1.062 119.420 120.570 -0.147 0.000 3.570 824 I HA 0.015 4.186 4.170 0.001 0.000 0.270 824 I C 1.327 177.566 176.117 0.205 0.000 1.162 824 I CA 0.007 61.284 61.300 -0.039 0.000 1.413 824 I CB 0.128 37.999 38.000 -0.216 0.000 1.437 824 I HN 0.137 nan 8.210 nan 0.000 0.457 825 W N 1.614 123.010 121.300 0.159 0.000 2.770 825 W HA 0.292 4.953 4.660 0.001 0.000 0.256 825 W C 1.507 178.066 176.519 0.068 0.000 1.291 825 W CA 0.847 58.269 57.345 0.129 0.000 1.396 825 W CB -1.113 28.411 29.460 0.107 0.000 1.114 825 W HN 0.363 nan 8.180 nan 0.000 0.637 826 G N 0.911 109.846 108.800 0.225 0.000 2.212 826 G HA2 -0.123 3.837 3.960 0.001 0.000 0.255 826 G HA3 -0.123 3.837 3.960 0.001 0.000 0.255 826 G C -0.319 174.647 174.900 0.110 0.000 1.062 826 G CA 0.167 45.343 45.100 0.126 0.000 0.815 826 G HN 0.345 nan 8.290 nan 0.000 0.497 827 V N -3.476 116.520 119.914 0.136 0.000 2.876 827 V HA 0.901 5.021 4.120 0.001 0.000 0.312 827 V C -0.242 175.902 176.094 0.083 0.000 1.085 827 V CA -1.694 60.668 62.300 0.102 0.000 0.945 827 V CB 2.188 34.083 31.823 0.121 0.000 1.017 827 V HN 0.277 nan 8.190 nan 0.000 0.428 828 E N 4.548 124.780 120.200 0.054 0.000 2.227 828 E HA 0.592 4.942 4.350 0.001 0.000 0.282 828 E C -2.359 174.269 176.600 0.047 0.000 1.015 828 E CA -1.918 54.507 56.400 0.042 0.000 0.823 828 E CB 1.286 31.003 29.700 0.028 0.000 1.081 828 E HN 0.760 nan 8.360 nan 0.000 0.396 829 P HA 0.076 nan 4.420 nan 0.000 0.271 829 P C -0.854 176.468 177.300 0.036 0.000 1.233 829 P CA -0.354 62.773 63.100 0.045 0.000 0.789 829 P CB 1.005 32.729 31.700 0.039 0.000 0.951 830 S N 0.039 115.762 115.700 0.038 0.000 2.536 830 S HA 0.390 4.860 4.470 0.001 0.000 0.271 830 S C 0.041 174.661 174.600 0.033 0.000 1.134 830 S CA -0.758 57.463 58.200 0.034 0.000 0.897 830 S CB 1.226 64.451 63.200 0.041 0.000 1.094 830 S HN 0.375 nan 8.310 nan 0.000 0.473 831 R N 1.336 121.852 120.500 0.027 0.000 2.546 831 R HA 0.130 4.470 4.340 0.001 0.000 0.320 831 R C -0.448 175.862 176.300 0.018 0.000 1.021 831 R CA -0.228 55.888 56.100 0.027 0.000 1.088 831 R CB 0.555 30.871 30.300 0.028 0.000 1.278 831 R HN 0.672 nan 8.270 nan 0.000 0.557 832 Q N 1.072 120.881 119.800 0.014 0.000 2.311 832 Q HA 0.083 4.424 4.340 0.001 0.000 0.272 832 Q C -0.316 175.677 176.000 -0.012 0.000 1.012 832 Q CA 0.010 55.813 55.803 0.001 0.000 0.891 832 Q CB 0.480 29.218 28.738 0.001 0.000 1.201 832 Q HN -0.109 nan 8.270 nan 0.000 0.391 833 R N 1.847 122.332 120.500 -0.024 0.000 2.491 833 R HA 0.282 4.622 4.340 0.001 0.000 0.283 833 R C -0.681 175.577 176.300 -0.070 0.000 1.072 833 R CA -0.442 55.632 56.100 -0.042 0.000 1.048 833 R CB 0.320 30.596 30.300 -0.041 0.000 0.983 833 R HN 0.680 nan 8.270 nan 0.000 0.450 834 L N 6.416 127.583 121.223 -0.094 0.000 2.399 834 L HA 0.385 4.725 4.340 0.001 0.000 0.265 834 L C -1.736 175.062 176.870 -0.120 0.000 1.089 834 L CA -2.252 52.496 54.840 -0.154 0.000 0.802 834 L CB 1.529 43.470 42.059 -0.198 0.000 1.180 834 L HN 0.591 nan 8.230 nan 0.000 0.454 835 P HA 0.061 nan 4.420 nan 0.000 0.213 835 P C -0.926 176.341 177.300 -0.055 0.000 1.170 835 P CA 1.354 64.406 63.100 -0.079 0.000 0.889 835 P CB 0.293 31.947 31.700 -0.076 0.000 0.782 836 A N 0.000 122.794 122.820 -0.043 0.000 2.254 836 A HA 0.000 4.320 4.320 0.001 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 836 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486