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 3moh_1_B DATA FIRST_RESID 3 DATA SEQUENCE PQLHNGLDFS AKVIQGSLDS LPQEVRKFVE GNAQLCQPEY IHICDGSEEE DATA SEQUENCE YGRLLAHMQE EGVIRKLKKY DNCWLALTDP RDVARIESKT VIITQEQRDT DATA SEQUENCE VPIPKSGQSQ LGRWMSEEDF EKAFNARFPG CMKGRTMYVI PFSMGPLGSP DATA SEQUENCE LAKIGIELTD SPYVVASMRI MTRMGTSVLE ALGDGEFIKC LHSVGCPLPL DATA SEQUENCE KKPLVNNWAC NPELTLIAHL PDRREIISFG SGYGGNSLLG KKCFALRIAS DATA SEQUENCE RLAKEEGWLA EHMLILGITN PEGKKKYLAA AFPSACGKTN LAMMNPTLPG DATA SEQUENCE WKVECVGDDI AWMKFDAQGN LRAINPENGF FGVAPGTSVK TNPNAIKTIQ DATA SEQUENCE KNTIFTNVAE TSDGGVYWEG IDEPLAPGVT ITSWKNKEWR PQDEEPCAHP DATA SEQUENCE NSRFCTPASQ CPIIDPAWES PEGVPIEGII FGGRRPAGVP LVYEALSWQH DATA SEQUENCE GVFVGAAMRS EATXXXXXXX KVIMHDPFAM RPFFGYNFGK YLAHWLSMAH DATA SEQUENCE RPAAKLPKIF HVNWFRKDKN GKFLWPGFGE NSRVLEWMFG RIEGEDSAKL DATA SEQUENCE TPIGYVPKED ALNLKGLGDV NVEELFGISK EFWEKEVEEI DKYLEDQVNA DATA SEQUENCE DLPYEIEREL RALKQRISQM 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.316 177.300 0.027 0.000 1.155 3 P CA 0.000 63.113 63.100 0.022 0.000 0.800 3 P CB 0.000 31.713 31.700 0.022 0.000 0.726 4 Q N 0.507 120.314 119.800 0.012 0.000 2.646 4 Q HA 0.341 4.682 4.340 0.001 0.000 0.260 4 Q C -1.127 174.854 176.000 -0.032 0.000 0.975 4 Q CA -1.032 54.779 55.803 0.015 0.000 0.936 4 Q CB 0.831 29.587 28.738 0.030 0.000 1.591 4 Q HN 0.214 nan 8.270 nan 0.000 0.412 5 L N 0.583 121.777 121.223 -0.049 0.000 2.446 5 L HA 0.168 4.509 4.340 0.001 0.000 0.219 5 L C 0.336 176.854 176.870 -0.586 0.000 1.116 5 L CA 0.840 55.533 54.840 -0.245 0.000 0.844 5 L CB -0.035 41.902 42.059 -0.203 0.000 0.970 5 L HN 0.703 nan 8.230 nan 0.000 0.457 6 H N -2.059 117.008 119.070 -0.005 0.000 4.265 6 H HA 0.337 4.894 4.556 0.001 0.000 0.401 6 H C 0.217 175.531 175.328 -0.023 0.000 1.309 6 H CA -0.618 55.422 56.048 -0.014 0.000 0.947 6 H CB 0.365 30.119 29.762 -0.014 0.000 0.953 6 H HN -0.164 nan 8.280 nan 0.000 0.744 7 N N -0.153 118.610 118.700 0.106 0.000 2.232 7 N HA 0.133 4.874 4.740 0.001 0.000 0.240 7 N C 0.521 175.996 175.510 -0.058 0.000 1.307 7 N CA 0.482 53.535 53.050 0.005 0.000 0.859 7 N CB 1.860 40.341 38.487 -0.011 0.000 1.260 7 N HN 0.574 nan 8.380 nan 0.000 0.501 8 G N 0.103 108.886 108.800 -0.029 0.000 3.126 8 G HA2 0.204 4.165 3.960 0.001 0.000 0.224 8 G HA3 0.204 4.165 3.960 0.001 0.000 0.224 8 G C 1.219 176.096 174.900 -0.038 0.000 1.142 8 G CA -0.027 45.021 45.100 -0.087 0.000 0.759 8 G HN 0.084 nan 8.290 nan 0.000 0.550 9 L N -0.427 120.812 121.223 0.027 0.000 2.425 9 L HA 0.232 4.572 4.340 0.001 0.000 0.215 9 L C 0.374 177.365 176.870 0.202 0.000 1.065 9 L CA 0.037 54.965 54.840 0.146 0.000 0.842 9 L CB 0.325 42.453 42.059 0.115 0.000 1.033 9 L HN 0.033 nan 8.230 nan 0.000 0.474 10 D N 0.025 120.470 120.400 0.076 0.000 2.380 10 D HA 0.074 4.715 4.640 0.001 0.000 0.230 10 D C 0.348 176.666 176.300 0.030 0.000 1.154 10 D CA -0.172 53.884 54.000 0.095 0.000 0.859 10 D CB 0.673 41.498 40.800 0.041 0.000 1.045 10 D HN -0.018 nan 8.370 nan 0.000 0.495 11 F N 1.863 121.823 119.950 0.015 0.000 2.773 11 F HA 0.015 4.543 4.527 0.001 0.000 0.304 11 F C 2.364 178.175 175.800 0.018 0.000 1.129 11 F CA -0.221 57.788 58.000 0.014 0.000 1.378 11 F CB 0.242 39.248 39.000 0.009 0.000 1.095 11 F HN 0.309 nan 8.300 nan 0.000 0.565 12 S N 0.712 116.489 115.700 0.130 0.000 2.381 12 S HA -0.354 4.116 4.470 0.001 0.000 0.230 12 S C 2.394 177.030 174.600 0.061 0.000 1.052 12 S CA 1.577 59.826 58.200 0.081 0.000 1.068 12 S CB -0.538 62.691 63.200 0.048 0.000 0.918 12 S HN 0.477 nan 8.310 nan 0.000 0.448 13 A N 0.570 123.408 122.820 0.030 0.000 2.172 13 A HA -0.005 4.316 4.320 0.001 0.000 0.216 13 A C 1.870 179.492 177.584 0.064 0.000 1.154 13 A CA 1.040 53.091 52.037 0.023 0.000 0.701 13 A CB -0.193 18.798 19.000 -0.014 0.000 0.789 13 A HN 0.450 nan 8.150 nan 0.000 0.465 14 K N -0.436 120.027 120.400 0.104 0.000 2.358 14 K HA 0.207 4.528 4.320 0.001 0.000 0.197 14 K C -0.493 176.237 176.600 0.217 0.000 1.025 14 K CA -0.135 56.270 56.287 0.197 0.000 1.104 14 K CB 0.666 33.295 32.500 0.215 0.000 0.855 14 K HN 0.234 nan 8.250 nan 0.000 0.531 15 V N 3.427 123.419 119.914 0.131 0.000 2.415 15 V HA 0.022 4.143 4.120 0.001 0.000 0.267 15 V C 1.157 177.256 176.094 0.009 0.000 1.042 15 V CA 0.211 62.553 62.300 0.071 0.000 1.000 15 V CB 0.299 32.151 31.823 0.048 0.000 1.015 15 V HN 0.256 nan 8.190 nan 0.000 0.478 16 I N 1.606 122.154 120.570 -0.036 0.000 3.941 16 I HA 0.393 4.564 4.170 0.001 0.000 0.321 16 I C 0.644 176.666 176.117 -0.159 0.000 1.284 16 I CA 0.404 61.633 61.300 -0.119 0.000 1.226 16 I CB 0.285 38.148 38.000 -0.228 0.000 1.045 16 I HN 0.624 nan 8.210 nan 0.000 0.420 17 Q N 1.250 120.922 119.800 -0.213 0.000 2.295 17 Q HA 0.525 4.866 4.340 0.001 0.000 0.268 17 Q C -0.294 175.589 176.000 -0.196 0.000 1.010 17 Q CA 0.045 55.679 55.803 -0.283 0.000 0.856 17 Q CB 2.097 30.455 28.738 -0.634 0.000 1.349 17 Q HN 0.501 nan 8.270 nan 0.000 0.412 18 G N 1.635 110.365 108.800 -0.118 0.000 2.545 18 G HA2 -0.077 3.884 3.960 0.001 0.000 0.216 18 G HA3 -0.077 3.884 3.960 0.001 0.000 0.216 18 G C -1.043 173.836 174.900 -0.035 0.000 1.314 18 G CA -0.238 44.823 45.100 -0.065 0.000 0.906 18 G HN 1.002 nan 8.290 nan 0.000 0.563 19 S N -1.360 114.330 115.700 -0.015 0.000 2.592 19 S HA 0.560 5.031 4.470 0.001 0.000 0.275 19 S C 1.115 175.722 174.600 0.012 0.000 1.169 19 S CA 0.155 58.355 58.200 0.000 0.000 0.958 19 S CB 1.185 64.385 63.200 -0.001 0.000 1.095 19 S HN 1.021 nan 8.310 nan 0.000 0.471 20 L N 2.774 124.013 121.223 0.026 0.000 2.093 20 L HA -0.033 4.308 4.340 0.001 0.000 0.208 20 L C 1.829 178.717 176.870 0.031 0.000 1.085 20 L CA 1.066 55.927 54.840 0.035 0.000 0.755 20 L CB -0.316 41.777 42.059 0.056 0.000 0.904 20 L HN 0.677 nan 8.230 nan 0.000 0.435 21 D N -0.277 120.139 120.400 0.027 0.000 2.221 21 D HA -0.155 4.485 4.640 0.001 0.000 0.204 21 D C 2.118 178.428 176.300 0.017 0.000 0.982 21 D CA 1.814 55.828 54.000 0.023 0.000 0.857 21 D CB 0.123 40.934 40.800 0.019 0.000 0.934 21 D HN 0.385 nan 8.370 nan 0.000 0.475 22 S N -0.612 115.095 115.700 0.012 0.000 2.539 22 S HA 0.120 4.591 4.470 0.001 0.000 0.221 22 S C 0.842 175.444 174.600 0.004 0.000 0.987 22 S CA -0.465 57.739 58.200 0.007 0.000 0.929 22 S CB 0.081 63.282 63.200 0.002 0.000 0.832 22 S HN 0.030 nan 8.310 nan 0.000 0.492 23 L N 2.555 123.783 121.223 0.007 0.000 2.426 23 L HA 0.361 4.702 4.340 0.001 0.000 0.271 23 L C -2.249 174.626 176.870 0.008 0.000 1.169 23 L CA -2.018 52.822 54.840 0.001 0.000 0.836 23 L CB -0.090 41.973 42.059 0.008 0.000 1.112 23 L HN 0.072 nan 8.230 nan 0.000 0.465 24 P HA -0.040 nan 4.420 nan 0.000 0.266 24 P C 0.136 177.462 177.300 0.044 0.000 1.195 24 P CA -0.128 62.982 63.100 0.016 0.000 0.768 24 P CB 0.613 32.317 31.700 0.006 0.000 0.838 25 Q N 2.923 122.757 119.800 0.055 0.000 2.047 25 Q HA -0.290 4.051 4.340 0.001 0.000 0.211 25 Q C 1.542 177.605 176.000 0.106 0.000 1.005 25 Q CA 2.162 58.006 55.803 0.069 0.000 0.866 25 Q CB -0.615 28.158 28.738 0.058 0.000 0.938 25 Q HN 0.400 nan 8.270 nan 0.000 0.414 26 E N -0.726 119.560 120.200 0.143 0.000 2.204 26 E HA -0.108 4.243 4.350 0.001 0.000 0.195 26 E C 2.066 178.873 176.600 0.345 0.000 0.990 26 E CA 1.126 57.663 56.400 0.228 0.000 0.821 26 E CB -0.145 29.703 29.700 0.246 0.000 0.750 26 E HN 0.318 nan 8.360 nan 0.000 0.477 27 V N 1.172 121.208 119.914 0.202 0.000 2.379 27 V HA -0.192 3.928 4.120 0.001 0.000 0.245 27 V C 2.586 178.775 176.094 0.158 0.000 1.044 27 V CA 1.653 63.999 62.300 0.076 0.000 1.036 27 V CB -0.504 31.208 31.823 -0.185 0.000 0.664 27 V HN 0.182 nan 8.190 nan 0.000 0.453 28 R N 0.430 120.995 120.500 0.109 0.000 2.091 28 R HA -0.204 4.136 4.340 0.001 0.000 0.238 28 R C 2.381 178.749 176.300 0.114 0.000 1.136 28 R CA 1.801 57.956 56.100 0.091 0.000 0.959 28 R CB -0.170 30.172 30.300 0.070 0.000 0.856 28 R HN 0.464 nan 8.270 nan 0.000 0.437 29 K N -0.433 120.058 120.400 0.152 0.000 2.026 29 K HA -0.180 4.141 4.320 0.001 0.000 0.208 29 K C 1.958 178.676 176.600 0.197 0.000 1.048 29 K CA 1.619 57.997 56.287 0.151 0.000 0.929 29 K CB -0.357 32.231 32.500 0.148 0.000 0.713 29 K HN 0.109 nan 8.250 nan 0.000 0.439 30 F N 1.866 121.886 119.950 0.117 0.000 2.046 30 F HA -0.255 4.273 4.527 0.001 0.000 0.297 30 F C 2.015 177.859 175.800 0.073 0.000 1.123 30 F CA 1.266 59.345 58.000 0.131 0.000 1.199 30 F CB -0.688 38.477 39.000 0.276 0.000 0.972 30 F HN -0.278 nan 8.300 nan 0.000 0.474 31 V N 0.357 120.235 119.914 -0.059 0.000 2.252 31 V HA -0.363 3.758 4.120 0.001 0.000 0.249 31 V C 2.423 178.384 176.094 -0.223 0.000 1.056 31 V CA 2.486 64.665 62.300 -0.202 0.000 1.022 31 V CB -0.889 30.901 31.823 -0.055 0.000 0.641 31 V HN 0.427 nan 8.190 nan 0.000 0.445 32 E N -0.083 120.048 120.200 -0.115 0.000 2.072 32 E HA -0.089 4.261 4.350 0.001 0.000 0.190 32 E C 2.312 178.808 176.600 -0.172 0.000 0.982 32 E CA 1.030 57.345 56.400 -0.141 0.000 0.803 32 E CB -0.479 29.232 29.700 0.017 0.000 0.755 32 E HN 0.566 nan 8.360 nan 0.000 0.453 33 G N 0.962 109.718 108.800 -0.074 0.000 2.440 33 G HA2 -0.281 3.680 3.960 0.001 0.000 0.218 33 G HA3 -0.281 3.680 3.960 0.001 0.000 0.218 33 G C 1.508 176.345 174.900 -0.104 0.000 1.154 33 G CA 0.814 45.891 45.100 -0.038 0.000 0.767 33 G HN 0.197 nan 8.290 nan 0.000 0.552 34 N N 0.964 119.547 118.700 -0.195 0.000 2.331 34 N HA -0.007 4.733 4.740 0.001 0.000 0.180 34 N C 2.468 177.824 175.510 -0.256 0.000 1.019 34 N CA 0.925 53.847 53.050 -0.213 0.000 0.881 34 N CB -0.133 38.160 38.487 -0.324 0.000 0.972 34 N HN 0.323 nan 8.380 nan 0.000 0.435 35 A N 1.191 123.752 122.820 -0.432 0.000 1.969 35 A HA -0.131 4.189 4.320 0.001 0.000 0.218 35 A C 2.129 179.310 177.584 -0.672 0.000 1.169 35 A CA 1.033 52.642 52.037 -0.713 0.000 0.635 35 A CB -0.346 17.876 19.000 -1.296 0.000 0.810 35 A HN 0.294 nan 8.150 nan 0.000 0.445 36 Q N -1.041 118.511 119.800 -0.415 0.000 2.119 36 Q HA -0.078 4.262 4.340 0.001 0.000 0.201 36 Q C 2.043 178.060 176.000 0.029 0.000 0.972 36 Q CA 1.338 57.149 55.803 0.013 0.000 0.847 36 Q CB -0.279 28.527 28.738 0.115 0.000 0.903 36 Q HN 0.626 nan 8.270 nan 0.000 0.433 37 L N -0.292 120.915 121.223 -0.026 0.000 2.023 37 L HA -0.105 4.236 4.340 0.001 0.000 0.205 37 L C 1.878 178.749 176.870 0.002 0.000 1.073 37 L CA 1.767 56.611 54.840 0.006 0.000 0.745 37 L CB -0.420 41.654 42.059 0.025 0.000 0.900 37 L HN 0.208 nan 8.230 nan 0.000 0.435 38 C N -0.221 119.070 119.300 -0.016 0.000 2.563 38 C HA 0.164 4.625 4.460 0.001 0.000 0.268 38 C C 0.773 175.766 174.990 0.004 0.000 1.365 38 C CA -0.407 58.619 59.018 0.014 0.000 1.754 38 C CB -0.748 27.015 27.740 0.038 0.000 1.932 38 C HN 0.689 nan 8.230 nan 0.000 0.536 39 Q N -0.696 119.111 119.800 0.012 0.000 2.463 39 Q HA -0.147 4.194 4.340 0.001 0.000 0.299 39 Q C -2.367 173.667 176.000 0.056 0.000 1.353 39 Q CA 0.715 56.568 55.803 0.084 0.000 0.828 39 Q CB -1.798 26.983 28.738 0.070 0.000 1.157 39 Q HN 0.460 nan 8.270 nan 0.000 0.436 40 P HA -0.010 nan 4.420 nan 0.000 0.270 40 P C 0.692 177.996 177.300 0.005 0.000 1.223 40 P CA 0.111 63.209 63.100 -0.004 0.000 0.785 40 P CB 0.699 32.380 31.700 -0.032 0.000 0.923 41 E N 0.429 120.558 120.200 -0.118 0.000 2.158 41 E HA -0.092 4.259 4.350 0.001 0.000 0.191 41 E C -0.302 176.037 176.600 -0.436 0.000 0.982 41 E CA 0.938 57.137 56.400 -0.335 0.000 0.823 41 E CB 0.126 29.498 29.700 -0.547 0.000 0.766 41 E HN 0.421 nan 8.360 nan 0.000 0.468 42 Y N -1.047 119.262 120.300 0.015 0.000 2.588 42 Y HA 0.486 5.037 4.550 0.001 0.000 0.343 42 Y C -0.500 175.379 175.900 -0.033 0.000 1.065 42 Y CA -1.051 57.048 58.100 -0.001 0.000 1.038 42 Y CB 1.477 39.914 38.460 -0.039 0.000 1.297 42 Y HN -0.186 nan 8.280 nan 0.000 0.467 43 I N 1.294 121.970 120.570 0.176 0.000 2.466 43 I HA 0.297 4.467 4.170 0.001 0.000 0.289 43 I C -1.252 174.898 176.117 0.055 0.000 1.026 43 I CA -0.577 60.760 61.300 0.062 0.000 1.078 43 I CB 1.988 40.023 38.000 0.060 0.000 1.249 43 I HN 0.653 nan 8.210 nan 0.000 0.429 44 H N 6.655 125.667 119.070 -0.098 0.000 2.708 44 H HA 0.550 5.107 4.556 0.001 0.000 0.320 44 H C -1.045 174.318 175.328 0.058 0.000 0.991 44 H CA -0.554 55.473 56.048 -0.035 0.000 1.243 44 H CB 1.063 30.776 29.762 -0.081 0.000 1.446 44 H HN 0.473 nan 8.280 nan 0.000 0.502 45 I N 5.951 126.527 120.570 0.010 0.000 2.322 45 I HA 0.076 4.247 4.170 0.001 0.000 0.292 45 I C 0.144 176.336 176.117 0.126 0.000 1.060 45 I CA -0.420 60.930 61.300 0.083 0.000 1.309 45 I CB 0.367 38.374 38.000 0.011 0.000 1.415 45 I HN 0.623 nan 8.210 nan 0.000 0.492 46 C N 5.073 124.547 119.300 0.290 0.000 2.662 46 C HA 0.033 4.493 4.460 0.001 0.000 0.420 46 C C 1.500 176.578 174.990 0.148 0.000 1.314 46 C CA -0.326 58.869 59.018 0.295 0.000 1.963 46 C CB -0.142 27.745 27.740 0.245 0.000 2.686 46 C HN 0.837 nan 8.230 nan 0.000 0.609 47 D N -0.260 120.220 120.400 0.133 0.000 2.407 47 D HA 0.168 4.808 4.640 0.001 0.000 0.208 47 D C 1.469 177.806 176.300 0.062 0.000 1.083 47 D CA 0.664 54.708 54.000 0.073 0.000 0.844 47 D CB -0.261 40.568 40.800 0.047 0.000 0.967 47 D HN 0.931 nan 8.370 nan 0.000 0.506 48 G N 0.682 109.525 108.800 0.072 0.000 2.189 48 G HA2 -0.325 3.636 3.960 0.001 0.000 0.267 48 G HA3 -0.325 3.636 3.960 0.001 0.000 0.267 48 G C 0.496 175.408 174.900 0.020 0.000 0.975 48 G CA 0.744 45.862 45.100 0.030 0.000 0.644 48 G HN 0.924 nan 8.290 nan 0.000 0.537 49 S N -0.223 115.507 115.700 0.051 0.000 2.573 49 S HA 0.373 4.844 4.470 0.001 0.000 0.277 49 S C 1.189 175.837 174.600 0.080 0.000 1.346 49 S CA 0.633 58.866 58.200 0.054 0.000 1.034 49 S CB 1.312 64.549 63.200 0.062 0.000 0.879 49 S HN 0.427 nan 8.310 nan 0.000 0.528 50 E N 1.435 121.683 120.200 0.081 0.000 2.118 50 E HA -0.202 4.149 4.350 0.001 0.000 0.195 50 E C 2.149 178.848 176.600 0.165 0.000 0.992 50 E CA 1.574 58.056 56.400 0.135 0.000 0.804 50 E CB -0.124 29.643 29.700 0.112 0.000 0.741 50 E HN 0.910 nan 8.360 nan 0.000 0.458 51 E N 1.210 121.479 120.200 0.115 0.000 2.106 51 E HA -0.238 4.113 4.350 0.001 0.000 0.192 51 E C 1.911 178.573 176.600 0.104 0.000 0.984 51 E CA 1.043 57.502 56.400 0.099 0.000 0.806 51 E CB -0.376 29.369 29.700 0.074 0.000 0.750 51 E HN 0.375 nan 8.360 nan 0.000 0.458 52 E N 0.184 120.458 120.200 0.123 0.000 2.085 52 E HA -0.240 4.110 4.350 0.001 0.000 0.194 52 E C 2.045 178.718 176.600 0.122 0.000 0.994 52 E CA 0.943 57.426 56.400 0.139 0.000 0.801 52 E CB -0.307 29.497 29.700 0.173 0.000 0.743 52 E HN 0.273 nan 8.360 nan 0.000 0.453 53 Y N 0.749 121.042 120.300 -0.013 0.000 2.070 53 Y HA -0.107 4.443 4.550 0.001 0.000 0.280 53 Y C 2.242 178.098 175.900 -0.075 0.000 1.148 53 Y CA 2.128 60.192 58.100 -0.059 0.000 1.125 53 Y CB -0.951 37.487 38.460 -0.037 0.000 0.975 53 Y HN 0.114 nan 8.280 nan 0.000 0.492 54 G N -0.118 108.657 108.800 -0.041 0.000 2.418 54 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 54 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 54 G C 1.829 176.666 174.900 -0.106 0.000 1.158 54 G CA 0.846 45.883 45.100 -0.105 0.000 0.771 54 G HN 0.359 nan 8.290 nan 0.000 0.545 55 R N -0.758 119.721 120.500 -0.035 0.000 2.092 55 R HA 0.058 4.399 4.340 0.001 0.000 0.231 55 R C 2.439 178.720 176.300 -0.032 0.000 1.119 55 R CA 0.804 56.900 56.100 -0.007 0.000 0.970 55 R CB -0.450 29.867 30.300 0.029 0.000 0.864 55 R HN 0.351 nan 8.270 nan 0.000 0.440 56 L N 1.113 122.284 121.223 -0.087 0.000 2.056 56 L HA -0.102 4.239 4.340 0.001 0.000 0.207 56 L C 1.987 178.718 176.870 -0.232 0.000 1.078 56 L CA 1.522 56.294 54.840 -0.113 0.000 0.749 56 L CB -0.375 41.581 42.059 -0.171 0.000 0.901 56 L HN 0.092 nan 8.230 nan 0.000 0.433 57 L N -0.734 120.207 121.223 -0.469 0.000 2.017 57 L HA -0.210 4.130 4.340 0.001 0.000 0.208 57 L C 2.675 179.220 176.870 -0.541 0.000 1.073 57 L CA 1.396 55.756 54.840 -0.800 0.000 0.745 57 L CB -0.960 40.216 42.059 -1.473 0.000 0.894 57 L HN 0.347 nan 8.230 nan 0.000 0.432 58 A N -0.556 122.108 122.820 -0.260 0.000 1.908 58 A HA -0.325 3.996 4.320 0.001 0.000 0.218 58 A C 2.159 179.767 177.584 0.040 0.000 1.181 58 A CA 2.169 54.203 52.037 -0.005 0.000 0.627 58 A CB -0.914 18.129 19.000 0.072 0.000 0.818 58 A HN 0.587 nan 8.150 nan 0.000 0.445 59 H N -0.401 118.629 119.070 -0.066 0.000 2.353 59 H HA -0.036 4.521 4.556 0.001 0.000 0.300 59 H C 1.857 177.174 175.328 -0.019 0.000 1.090 59 H CA 2.231 58.264 56.048 -0.026 0.000 1.327 59 H CB -0.361 29.387 29.762 -0.023 0.000 1.383 59 H HN 0.452 nan 8.280 nan 0.000 0.508 60 M N -0.164 119.264 119.600 -0.286 0.000 2.117 60 M HA -0.189 4.291 4.480 0.001 0.000 0.262 60 M C 2.545 178.776 176.300 -0.116 0.000 1.065 60 M CA 1.925 57.060 55.300 -0.275 0.000 1.114 60 M CB -0.283 32.198 32.600 -0.198 0.000 1.361 60 M HN 0.442 nan 8.290 nan 0.000 0.408 61 Q N 0.746 120.525 119.800 -0.035 0.000 2.002 61 Q HA -0.278 4.063 4.340 0.001 0.000 0.204 61 Q C 1.905 177.948 176.000 0.072 0.000 0.988 61 Q CA 2.049 57.916 55.803 0.107 0.000 0.843 61 Q CB -0.076 28.815 28.738 0.256 0.000 0.908 61 Q HN 0.305 nan 8.270 nan 0.000 0.420 62 E N 0.671 120.905 120.200 0.056 0.000 2.160 62 E HA -0.182 4.169 4.350 0.001 0.000 0.195 62 E C 1.228 177.848 176.600 0.034 0.000 0.991 62 E CA 1.389 57.828 56.400 0.065 0.000 0.810 62 E CB 0.004 29.766 29.700 0.103 0.000 0.742 62 E HN 0.412 nan 8.360 nan 0.000 0.466 63 E N -1.133 119.046 120.200 -0.035 0.000 2.502 63 E HA 0.047 4.398 4.350 0.001 0.000 0.194 63 E C 0.863 177.459 176.600 -0.006 0.000 1.062 63 E CA 0.460 56.832 56.400 -0.046 0.000 0.867 63 E CB 0.048 29.644 29.700 -0.173 0.000 0.888 63 E HN 0.442 nan 8.360 nan 0.000 0.510 64 G N 1.008 109.821 108.800 0.021 0.000 2.168 64 G HA2 -0.319 3.642 3.960 0.001 0.000 0.263 64 G HA3 -0.319 3.642 3.960 0.001 0.000 0.263 64 G C 1.104 176.046 174.900 0.069 0.000 0.977 64 G CA 0.580 45.712 45.100 0.053 0.000 0.659 64 G HN 0.262 nan 8.290 nan 0.000 0.533 65 V N 0.669 120.610 119.914 0.044 0.000 2.453 65 V HA 0.174 4.294 4.120 0.001 0.000 0.247 65 V C 1.712 177.904 176.094 0.164 0.000 1.048 65 V CA 2.082 64.431 62.300 0.082 0.000 1.049 65 V CB -0.456 31.369 31.823 0.004 0.000 0.672 65 V HN 0.777 nan 8.190 nan 0.000 0.457 66 I N -2.480 118.183 120.570 0.156 0.000 3.206 66 I HA 0.671 4.842 4.170 0.001 0.000 0.313 66 I C -0.427 175.852 176.117 0.269 0.000 1.103 66 I CA -1.243 60.205 61.300 0.248 0.000 0.985 66 I CB 2.162 40.324 38.000 0.270 0.000 1.240 66 I HN -0.173 nan 8.210 nan 0.000 0.464 67 R N 1.333 122.031 120.500 0.330 0.000 2.750 67 R HA 0.454 4.795 4.340 0.001 0.000 0.281 67 R C -1.048 175.449 176.300 0.328 0.000 0.972 67 R CA -1.009 55.258 56.100 0.279 0.000 0.912 67 R CB 2.593 32.998 30.300 0.174 0.000 1.187 67 R HN 0.551 nan 8.270 nan 0.000 0.464 68 K N 2.335 122.805 120.400 0.117 0.000 2.298 68 K HA 0.207 4.527 4.320 0.001 0.000 0.280 68 K C -0.686 175.783 176.600 -0.219 0.000 1.032 68 K CA -0.205 55.861 56.287 -0.369 0.000 0.958 68 K CB 0.573 32.731 32.500 -0.570 0.000 0.978 68 K HN 0.418 nan 8.250 nan 0.000 0.472 69 L N 6.563 127.639 121.223 -0.246 0.000 2.282 69 L HA 0.185 4.526 4.340 0.001 0.000 0.287 69 L C 1.131 177.863 176.870 -0.230 0.000 1.075 69 L CA -0.175 54.586 54.840 -0.133 0.000 0.839 69 L CB 0.641 42.739 42.059 0.064 0.000 1.219 69 L HN 0.713 nan 8.230 nan 0.000 0.434 70 K N 1.626 121.884 120.400 -0.236 0.000 2.525 70 K HA -0.079 4.242 4.320 0.001 0.000 0.192 70 K C 1.531 177.964 176.600 -0.278 0.000 1.029 70 K CA 0.576 56.726 56.287 -0.228 0.000 1.029 70 K CB 0.144 32.545 32.500 -0.165 0.000 0.814 70 K HN 0.375 nan 8.250 nan 0.000 0.503 71 K N 0.095 120.207 120.400 -0.479 0.000 2.288 71 K HA -0.015 4.306 4.320 0.001 0.000 0.201 71 K C -0.424 175.846 176.600 -0.550 0.000 1.048 71 K CA 0.649 56.555 56.287 -0.635 0.000 0.956 71 K CB 0.182 32.087 32.500 -0.991 0.000 0.746 71 K HN 0.106 nan 8.250 nan 0.000 0.461 72 Y N -0.224 120.043 120.300 -0.054 0.000 2.621 72 Y HA 0.219 4.769 4.550 0.001 0.000 0.334 72 Y C -0.340 175.538 175.900 -0.037 0.000 1.074 72 Y CA -2.466 55.620 58.100 -0.023 0.000 1.149 72 Y CB 0.450 38.926 38.460 0.026 0.000 1.302 72 Y HN -0.150 nan 8.280 nan 0.000 0.501 73 D N 1.522 122.032 120.400 0.184 0.000 2.352 73 D HA 0.035 4.676 4.640 0.001 0.000 0.245 73 D C 0.200 176.562 176.300 0.103 0.000 1.224 73 D CA 0.412 54.473 54.000 0.102 0.000 0.879 73 D CB -0.323 40.537 40.800 0.099 0.000 1.057 73 D HN 0.666 nan 8.370 nan 0.000 0.491 74 N N 3.052 121.769 118.700 0.028 0.000 2.725 74 N HA -0.214 4.527 4.740 0.001 0.000 0.251 74 N C -1.195 174.365 175.510 0.084 0.000 1.031 74 N CA 0.123 53.212 53.050 0.065 0.000 0.720 74 N CB -1.082 37.551 38.487 0.243 0.000 0.930 74 N HN 0.301 nan 8.380 nan 0.000 0.543 75 C N 0.338 119.564 119.300 -0.123 0.000 2.529 75 C HA 0.761 5.222 4.460 0.001 0.000 0.329 75 C C -0.219 174.683 174.990 -0.148 0.000 1.194 75 C CA -0.484 58.607 59.018 0.122 0.000 1.779 75 C CB 0.716 28.703 27.740 0.411 0.000 2.322 75 C HN 0.521 nan 8.230 nan 0.000 0.500 76 W N 1.299 122.809 121.300 0.351 0.000 3.083 76 W HA 0.680 5.341 4.660 0.001 0.000 0.333 76 W C -1.027 175.713 176.519 0.369 0.000 1.217 76 W CA -0.654 56.857 57.345 0.277 0.000 1.170 76 W CB 1.055 30.615 29.460 0.167 0.000 1.437 76 W HN 0.357 nan 8.180 nan 0.000 0.557 77 L N 2.602 124.147 121.223 0.537 0.000 2.404 77 L HA 0.889 5.230 4.340 0.001 0.000 0.272 77 L C -0.732 176.372 176.870 0.390 0.000 0.980 77 L CA -0.660 54.447 54.840 0.445 0.000 0.836 77 L CB 1.123 43.373 42.059 0.318 0.000 1.238 77 L HN 0.514 nan 8.230 nan 0.000 0.408 78 A N 6.148 129.211 122.820 0.404 0.000 2.292 78 A HA 0.802 5.122 4.320 0.001 0.000 0.319 78 A C -1.135 176.571 177.584 0.204 0.000 1.206 78 A CA -0.504 51.740 52.037 0.345 0.000 0.835 78 A CB 0.593 19.888 19.000 0.492 0.000 1.164 78 A HN 0.715 nan 8.150 nan 0.000 0.505 79 L N 2.800 124.110 121.223 0.145 0.000 2.325 79 L HA 0.498 4.838 4.340 0.001 0.000 0.281 79 L C 0.684 177.498 176.870 -0.094 0.000 1.004 79 L CA -0.629 54.255 54.840 0.073 0.000 0.823 79 L CB 1.958 44.081 42.059 0.107 0.000 1.236 79 L HN 0.886 nan 8.230 nan 0.000 0.415 80 T N -2.259 112.098 114.554 -0.329 0.000 2.902 80 T HA 0.192 4.543 4.350 0.001 0.000 0.280 80 T C -0.024 174.467 174.700 -0.348 0.000 0.992 80 T CA -0.857 60.714 62.100 -0.881 0.000 1.015 80 T CB 1.695 69.675 68.868 -1.480 0.000 1.044 80 T HN 0.507 nan 8.240 nan 0.000 0.520 81 D N 2.081 122.315 120.400 -0.277 0.000 2.533 81 D HA 0.032 4.672 4.640 0.001 0.000 0.236 81 D C -1.140 175.125 176.300 -0.058 0.000 1.137 81 D CA -1.622 52.359 54.000 -0.031 0.000 0.867 81 D CB 1.201 42.107 40.800 0.177 0.000 1.170 81 D HN 0.321 nan 8.370 nan 0.000 0.474 82 P HA -0.046 nan 4.420 nan 0.000 0.234 82 P C 0.821 178.157 177.300 0.059 0.000 1.167 82 P CA 0.583 63.757 63.100 0.124 0.000 0.763 82 P CB 0.263 32.039 31.700 0.126 0.000 0.835 83 R N -0.412 120.110 120.500 0.036 0.000 2.275 83 R HA 0.039 4.380 4.340 0.001 0.000 0.199 83 R C 0.360 176.669 176.300 0.015 0.000 0.989 83 R CA 0.459 56.581 56.100 0.036 0.000 1.016 83 R CB -0.113 30.220 30.300 0.056 0.000 0.918 83 R HN 0.061 nan 8.270 nan 0.000 0.473 84 D N 0.350 120.742 120.400 -0.014 0.000 2.502 84 D HA 0.066 4.707 4.640 0.001 0.000 0.301 84 D C 0.442 176.588 176.300 -0.256 0.000 1.202 84 D CA -0.250 53.747 54.000 -0.004 0.000 0.878 84 D CB 1.114 42.073 40.800 0.265 0.000 1.062 84 D HN -0.040 nan 8.370 nan 0.000 0.499 85 V N -0.318 119.299 119.914 -0.495 0.000 3.477 85 V HA 0.831 4.952 4.120 0.001 0.000 0.297 85 V C 0.550 175.755 176.094 -1.481 0.000 1.433 85 V CA 0.252 61.941 62.300 -1.018 0.000 1.052 85 V CB -0.168 31.048 31.823 -1.012 0.000 0.895 85 V HN 0.394 nan 8.190 nan 0.000 0.438 86 A N -0.020 122.237 122.820 -0.938 0.000 2.597 86 A HA 0.659 4.980 4.320 0.001 0.000 0.292 86 A C -0.349 177.202 177.584 -0.056 0.000 1.057 86 A CA -0.916 50.828 52.037 -0.487 0.000 0.674 86 A CB 0.985 19.845 19.000 -0.233 0.000 1.278 86 A HN 0.243 nan 8.150 nan 0.000 0.416 87 R N 0.394 120.980 120.500 0.143 0.000 2.523 87 R HA 0.123 4.464 4.340 0.001 0.000 0.281 87 R C -0.751 175.604 176.300 0.092 0.000 0.969 87 R CA 0.751 56.953 56.100 0.169 0.000 1.093 87 R CB -0.258 30.166 30.300 0.206 0.000 0.917 87 R HN 0.498 nan 8.270 nan 0.000 0.408 88 I N 4.296 124.927 120.570 0.102 0.000 2.337 88 I HA 0.065 4.236 4.170 0.001 0.000 0.285 88 I C 1.158 177.319 176.117 0.074 0.000 1.041 88 I CA -0.310 61.034 61.300 0.073 0.000 1.199 88 I CB 1.539 39.586 38.000 0.078 0.000 1.370 88 I HN 0.775 nan 8.210 nan 0.000 0.470 89 E N 3.774 123.995 120.200 0.036 0.000 2.118 89 E HA -0.224 4.127 4.350 0.001 0.000 0.195 89 E C 2.003 178.625 176.600 0.038 0.000 0.992 89 E CA 1.991 58.399 56.400 0.013 0.000 0.804 89 E CB 0.305 29.981 29.700 -0.041 0.000 0.741 89 E HN 0.793 nan 8.360 nan 0.000 0.458 90 S N 0.199 115.925 115.700 0.043 0.000 2.399 90 S HA -0.098 4.372 4.470 0.001 0.000 0.231 90 S C 1.445 176.090 174.600 0.074 0.000 1.022 90 S CA 0.854 59.085 58.200 0.052 0.000 0.983 90 S CB -0.102 63.125 63.200 0.045 0.000 0.803 90 S HN 0.181 nan 8.310 nan 0.000 0.480 91 K N 1.509 121.964 120.400 0.092 0.000 2.493 91 K HA 0.225 4.546 4.320 0.001 0.000 0.207 91 K C -0.545 176.143 176.600 0.145 0.000 1.033 91 K CA 0.027 56.384 56.287 0.117 0.000 1.161 91 K CB 0.501 33.075 32.500 0.124 0.000 0.873 91 K HN 0.224 nan 8.250 nan 0.000 0.491 92 T N 1.932 116.569 114.554 0.138 0.000 2.770 92 T HA 0.353 4.703 4.350 0.001 0.000 0.283 92 T C -0.354 174.449 174.700 0.172 0.000 0.988 92 T CA -0.633 61.578 62.100 0.184 0.000 0.957 92 T CB 1.487 70.462 68.868 0.178 0.000 0.930 92 T HN 0.053 nan 8.240 nan 0.000 0.443 93 V N 1.596 121.640 119.914 0.217 0.000 3.007 93 V HA 0.767 4.888 4.120 0.001 0.000 0.311 93 V C -0.989 175.228 176.094 0.206 0.000 1.120 93 V CA -1.162 61.233 62.300 0.158 0.000 0.980 93 V CB 1.994 33.867 31.823 0.083 0.000 1.033 93 V HN 0.811 nan 8.190 nan 0.000 0.429 94 I N 3.006 123.654 120.570 0.130 0.000 2.509 94 I HA 0.540 4.711 4.170 0.001 0.000 0.293 94 I C -1.251 174.895 176.117 0.047 0.000 1.020 94 I CA -0.649 60.725 61.300 0.123 0.000 1.088 94 I CB 2.200 40.283 38.000 0.139 0.000 1.267 94 I HN 0.517 nan 8.210 nan 0.000 0.430 95 I N 5.318 125.872 120.570 -0.028 0.000 2.339 95 I HA 0.419 4.590 4.170 0.001 0.000 0.290 95 I C 0.235 176.405 176.117 0.089 0.000 0.994 95 I CA 0.110 61.357 61.300 -0.087 0.000 1.191 95 I CB 1.721 39.595 38.000 -0.209 0.000 1.343 95 I HN 0.600 nan 8.210 nan 0.000 0.458 96 T N 0.823 115.559 114.554 0.304 0.000 2.864 96 T HA 0.301 4.652 4.350 0.001 0.000 0.299 96 T C 0.459 175.412 174.700 0.422 0.000 1.166 96 T CA -0.742 61.539 62.100 0.303 0.000 1.007 96 T CB 1.594 70.619 68.868 0.261 0.000 1.219 96 T HN 0.562 nan 8.240 nan 0.000 0.506 97 Q N 0.185 120.126 119.800 0.235 0.000 2.135 97 Q HA -0.085 4.256 4.340 0.001 0.000 0.204 97 Q C -0.050 176.095 176.000 0.242 0.000 0.981 97 Q CA 1.399 57.330 55.803 0.214 0.000 0.856 97 Q CB 0.140 28.941 28.738 0.104 0.000 0.902 97 Q HN 0.704 nan 8.270 nan 0.000 0.425 98 E N -0.137 120.127 120.200 0.106 0.000 2.210 98 E HA 0.047 4.398 4.350 0.001 0.000 0.266 98 E C -0.302 176.018 176.600 -0.466 0.000 0.883 98 E CA -0.300 56.016 56.400 -0.140 0.000 0.761 98 E CB 1.538 31.168 29.700 -0.117 0.000 1.156 98 E HN 0.213 nan 8.360 nan 0.000 0.412 99 Q N 2.864 121.950 119.800 -1.189 0.000 2.112 99 Q HA -0.245 4.096 4.340 0.001 0.000 0.206 99 Q C 1.994 177.611 176.000 -0.639 0.000 0.987 99 Q CA 1.754 56.564 55.803 -1.655 0.000 0.858 99 Q CB 0.087 27.899 28.738 -1.543 0.000 0.905 99 Q HN 0.435 nan 8.270 nan 0.000 0.420 100 R N -0.061 120.194 120.500 -0.409 0.000 2.189 100 R HA -0.129 4.211 4.340 0.001 0.000 0.223 100 R C 1.013 177.240 176.300 -0.122 0.000 1.092 100 R CA 1.449 57.419 56.100 -0.217 0.000 0.989 100 R CB 0.097 30.296 30.300 -0.168 0.000 0.876 100 R HN 0.355 nan 8.270 nan 0.000 0.457 101 D N -0.898 119.440 120.400 -0.103 0.000 2.269 101 D HA -0.080 4.560 4.640 0.001 0.000 0.208 101 D C 1.225 177.560 176.300 0.060 0.000 0.963 101 D CA 1.185 55.182 54.000 -0.005 0.000 0.864 101 D CB 0.195 41.001 40.800 0.010 0.000 0.936 101 D HN 0.208 nan 8.370 nan 0.000 0.505 102 T N -0.325 114.240 114.554 0.017 0.000 3.021 102 T HA 0.108 4.459 4.350 0.001 0.000 0.245 102 T C 0.791 175.518 174.700 0.046 0.000 1.028 102 T CA 0.328 62.484 62.100 0.093 0.000 1.139 102 T CB 0.736 69.735 68.868 0.218 0.000 0.884 102 T HN 0.016 nan 8.240 nan 0.000 0.457 103 V N -0.551 119.347 119.914 -0.026 0.000 2.932 103 V HA 0.617 4.738 4.120 0.001 0.000 0.307 103 V C -3.243 172.802 176.094 -0.081 0.000 1.147 103 V CA -3.243 59.032 62.300 -0.042 0.000 0.951 103 V CB 1.869 33.687 31.823 -0.009 0.000 1.031 103 V HN -0.135 nan 8.190 nan 0.000 0.426 104 P HA 0.219 nan 4.420 nan 0.000 0.267 104 P C -0.389 176.855 177.300 -0.094 0.000 1.200 104 P CA -0.009 63.037 63.100 -0.090 0.000 0.772 104 P CB 0.295 31.941 31.700 -0.090 0.000 0.855 105 I N 3.986 124.497 120.570 -0.099 0.000 2.436 105 I HA 0.138 4.309 4.170 0.001 0.000 0.289 105 I C -1.919 174.151 176.117 -0.080 0.000 1.083 105 I CA -2.603 58.641 61.300 -0.094 0.000 1.372 105 I CB -0.085 37.857 38.000 -0.097 0.000 1.408 105 I HN 0.166 nan 8.210 nan 0.000 0.516 106 P HA 0.191 nan 4.420 nan 0.000 0.280 106 P C 0.362 177.626 177.300 -0.060 0.000 1.244 106 P CA -0.535 62.520 63.100 -0.075 0.000 0.784 106 P CB 1.399 33.059 31.700 -0.066 0.000 0.913 107 K N 1.732 122.093 120.400 -0.064 0.000 2.283 107 K HA -0.074 4.247 4.320 0.001 0.000 0.202 107 K C 1.715 178.293 176.600 -0.036 0.000 1.048 107 K CA 1.512 57.770 56.287 -0.048 0.000 0.948 107 K CB -0.025 32.445 32.500 -0.050 0.000 0.742 107 K HN 0.500 nan 8.250 nan 0.000 0.458 108 S N -2.022 113.656 115.700 -0.036 0.000 2.503 108 S HA 0.168 4.639 4.470 0.001 0.000 0.217 108 S C 1.428 176.019 174.600 -0.014 0.000 0.999 108 S CA 0.435 58.621 58.200 -0.022 0.000 0.914 108 S CB 0.678 63.866 63.200 -0.020 0.000 0.782 108 S HN 0.428 nan 8.310 nan 0.000 0.520 109 G N 0.270 109.059 108.800 -0.018 0.000 2.238 109 G HA2 -0.179 3.782 3.960 0.001 0.000 0.217 109 G HA3 -0.179 3.782 3.960 0.001 0.000 0.217 109 G C -0.153 174.748 174.900 0.003 0.000 0.996 109 G CA -0.119 44.978 45.100 -0.006 0.000 0.632 109 G HN 0.554 nan 8.290 nan 0.000 0.503 110 Q N 0.831 120.632 119.800 0.001 0.000 2.333 110 Q HA 0.588 4.929 4.340 0.001 0.000 0.268 110 Q C -0.627 175.374 176.000 0.001 0.000 1.007 110 Q CA -0.250 55.560 55.803 0.012 0.000 0.810 110 Q CB 1.954 30.703 28.738 0.020 0.000 1.264 110 Q HN 0.189 nan 8.270 nan 0.000 0.452 111 S N 1.978 117.683 115.700 0.007 0.000 2.523 111 S HA 0.109 4.580 4.470 0.001 0.000 0.275 111 S C 0.326 174.933 174.600 0.011 0.000 1.281 111 S CA -0.108 58.088 58.200 -0.005 0.000 1.050 111 S CB 0.556 63.758 63.200 0.002 0.000 0.937 111 S HN 0.595 nan 8.310 nan 0.000 0.492 112 Q N 3.886 123.690 119.800 0.007 0.000 2.188 112 Q HA 0.337 4.678 4.340 0.001 0.000 0.212 112 Q C 0.382 176.400 176.000 0.029 0.000 0.846 112 Q CA 0.054 55.878 55.803 0.035 0.000 0.989 112 Q CB 0.306 29.098 28.738 0.090 0.000 1.114 112 Q HN 0.646 nan 8.270 nan 0.000 0.488 113 L N -0.552 120.677 121.223 0.010 0.000 2.906 113 L HA 0.428 4.769 4.340 0.001 0.000 0.255 113 L C 0.555 177.464 176.870 0.065 0.000 1.166 113 L CA -0.294 54.556 54.840 0.016 0.000 0.977 113 L CB 0.983 42.997 42.059 -0.075 0.000 1.313 113 L HN 0.249 nan 8.230 nan 0.000 0.549 114 G N 0.362 109.191 108.800 0.048 0.000 2.369 114 G HA2 0.118 4.079 3.960 0.001 0.000 0.293 114 G HA3 0.118 4.079 3.960 0.001 0.000 0.293 114 G C -1.731 173.219 174.900 0.083 0.000 1.301 114 G CA -0.901 44.237 45.100 0.063 0.000 0.913 114 G HN -0.035 nan 8.290 nan 0.000 0.540 115 R N -0.653 119.916 120.500 0.114 0.000 2.510 115 R HA 0.467 4.808 4.340 0.001 0.000 0.294 115 R C -1.632 174.796 176.300 0.212 0.000 1.056 115 R CA -0.773 55.415 56.100 0.146 0.000 0.918 115 R CB 1.458 31.821 30.300 0.105 0.000 1.187 115 R HN 0.692 nan 8.270 nan 0.000 0.437 116 W N 6.394 127.720 121.300 0.042 0.000 2.496 116 W HA 0.520 5.180 4.660 0.001 0.000 0.327 116 W C -1.189 175.364 176.519 0.057 0.000 1.086 116 W CA -0.797 56.574 57.345 0.045 0.000 1.222 116 W CB 1.306 30.786 29.460 0.033 0.000 1.304 116 W HN 0.445 nan 8.180 nan 0.000 0.547 117 M N 5.708 124.837 119.600 -0.786 0.000 2.386 117 M HA 0.316 4.797 4.480 0.001 0.000 0.293 117 M C -0.216 175.268 176.300 -1.359 0.000 1.120 117 M CA -0.571 54.210 55.300 -0.865 0.000 0.909 117 M CB 1.697 34.115 32.600 -0.302 0.000 1.661 117 M HN 0.562 nan 8.290 nan 0.000 0.452 118 S N 1.920 116.822 115.700 -1.330 0.000 2.573 118 S HA 0.053 4.523 4.470 0.001 0.000 0.277 118 S C 0.767 175.201 174.600 -0.278 0.000 1.346 118 S CA 0.070 57.821 58.200 -0.749 0.000 1.034 118 S CB 1.189 64.169 63.200 -0.366 0.000 0.879 118 S HN 0.902 nan 8.310 nan 0.000 0.528 119 E N 1.311 121.454 120.200 -0.095 0.000 2.118 119 E HA -0.223 4.127 4.350 0.001 0.000 0.195 119 E C 1.539 178.158 176.600 0.031 0.000 0.992 119 E CA 2.009 58.414 56.400 0.009 0.000 0.804 119 E CB -0.302 29.416 29.700 0.028 0.000 0.741 119 E HN 0.836 nan 8.360 nan 0.000 0.458 120 E N 0.421 120.620 120.200 -0.002 0.000 2.031 120 E HA -0.167 4.184 4.350 0.001 0.000 0.193 120 E C 1.849 178.439 176.600 -0.016 0.000 0.994 120 E CA 1.507 57.904 56.400 -0.004 0.000 0.800 120 E CB -0.148 29.553 29.700 0.001 0.000 0.752 120 E HN 0.333 nan 8.360 nan 0.000 0.447 121 D N 0.010 120.389 120.400 -0.036 0.000 2.123 121 D HA -0.173 4.467 4.640 0.001 0.000 0.196 121 D C 1.681 177.983 176.300 0.004 0.000 0.992 121 D CA 0.747 54.726 54.000 -0.034 0.000 0.833 121 D CB -0.375 40.381 40.800 -0.073 0.000 0.954 121 D HN 0.096 nan 8.370 nan 0.000 0.455 122 F N 1.860 121.752 119.950 -0.097 0.000 2.095 122 F HA -0.164 4.364 4.527 0.001 0.000 0.298 122 F C 2.256 178.060 175.800 0.007 0.000 1.104 122 F CA 1.560 59.529 58.000 -0.052 0.000 1.232 122 F CB -0.208 38.741 39.000 -0.086 0.000 0.987 122 F HN -0.085 nan 8.300 nan 0.000 0.475 123 E N 0.268 120.357 120.200 -0.186 0.000 2.058 123 E HA -0.278 4.073 4.350 0.001 0.000 0.194 123 E C 2.213 178.725 176.600 -0.147 0.000 0.997 123 E CA 1.649 57.920 56.400 -0.216 0.000 0.801 123 E CB -0.078 29.575 29.700 -0.079 0.000 0.746 123 E HN 0.445 nan 8.360 nan 0.000 0.450 124 K N 0.163 120.502 120.400 -0.102 0.000 2.009 124 K HA -0.174 4.147 4.320 0.001 0.000 0.210 124 K C 2.181 178.716 176.600 -0.109 0.000 1.049 124 K CA 1.394 57.635 56.287 -0.078 0.000 0.929 124 K CB -0.269 32.200 32.500 -0.051 0.000 0.714 124 K HN 0.129 nan 8.250 nan 0.000 0.440 125 A N 1.013 123.752 122.820 -0.135 0.000 1.892 125 A HA -0.228 4.093 4.320 0.001 0.000 0.218 125 A C 2.073 179.540 177.584 -0.195 0.000 1.188 125 A CA 1.610 53.565 52.037 -0.137 0.000 0.631 125 A CB -0.832 18.131 19.000 -0.061 0.000 0.822 125 A HN 0.391 nan 8.150 nan 0.000 0.447 126 F N 1.459 121.092 119.950 -0.529 0.000 2.075 126 F HA -0.203 4.325 4.527 0.001 0.000 0.297 126 F C 2.050 177.726 175.800 -0.208 0.000 1.113 126 F CA 2.140 59.879 58.000 -0.436 0.000 1.218 126 F CB -0.259 38.271 39.000 -0.783 0.000 0.984 126 F HN 0.224 nan 8.300 nan 0.000 0.472 127 N N 0.774 119.448 118.700 -0.043 0.000 2.223 127 N HA -0.132 4.609 4.740 0.001 0.000 0.185 127 N C 1.715 177.118 175.510 -0.179 0.000 1.016 127 N CA 1.271 54.263 53.050 -0.098 0.000 0.863 127 N CB -0.731 37.749 38.487 -0.012 0.000 0.983 127 N HN 0.412 nan 8.380 nan 0.000 0.429 128 A N 0.095 122.801 122.820 -0.191 0.000 2.235 128 A HA 0.106 4.426 4.320 0.001 0.000 0.208 128 A C 2.014 179.409 177.584 -0.315 0.000 1.172 128 A CA 0.514 52.433 52.037 -0.197 0.000 0.786 128 A CB 0.059 18.973 19.000 -0.144 0.000 0.804 128 A HN 0.180 nan 8.150 nan 0.000 0.479 129 R N -3.077 117.120 120.500 -0.504 0.000 2.493 129 R HA 0.310 4.650 4.340 0.001 0.000 0.177 129 R C 1.218 176.937 176.300 -0.967 0.000 0.861 129 R CA 0.404 55.896 56.100 -1.012 0.000 1.083 129 R CB -0.090 29.236 30.300 -1.625 0.000 1.328 129 R HN 0.400 nan 8.270 nan 0.000 0.615 130 F N 1.720 121.198 119.950 -0.787 0.000 2.335 130 F HA 0.156 4.684 4.527 0.001 0.000 0.296 130 F C -1.434 174.169 175.800 -0.329 0.000 1.091 130 F CA -0.362 57.302 58.000 -0.560 0.000 1.399 130 F CB -0.623 37.825 39.000 -0.920 0.000 1.067 130 F HN -0.202 nan 8.300 nan 0.000 0.520 131 P HA 0.082 nan 4.420 nan 0.000 0.258 131 P C 0.667 177.935 177.300 -0.052 0.000 1.187 131 P CA 1.520 64.570 63.100 -0.083 0.000 0.767 131 P CB 0.076 31.725 31.700 -0.086 0.000 0.770 132 G N 3.100 111.889 108.800 -0.018 0.000 2.168 132 G HA2 -0.393 3.568 3.960 0.001 0.000 0.263 132 G HA3 -0.393 3.568 3.960 0.001 0.000 0.263 132 G C 1.157 176.051 174.900 -0.011 0.000 0.977 132 G CA 0.280 45.374 45.100 -0.010 0.000 0.659 132 G HN 0.680 nan 8.290 nan 0.000 0.533 133 C N -1.050 118.248 119.300 -0.003 0.000 2.437 133 C HA 0.450 4.911 4.460 0.001 0.000 0.283 133 C C 2.299 177.273 174.990 -0.027 0.000 1.424 133 C CA 1.357 60.377 59.018 0.003 0.000 1.782 133 C CB -0.719 27.061 27.740 0.068 0.000 1.833 133 C HN 0.493 nan 8.230 nan 0.000 0.532 134 M N 0.211 119.802 119.600 -0.015 0.000 2.475 134 M HA 0.221 4.702 4.480 0.001 0.000 0.283 134 M C 0.318 176.599 176.300 -0.031 0.000 1.165 134 M CA -0.209 55.072 55.300 -0.030 0.000 0.976 134 M CB -0.113 32.474 32.600 -0.021 0.000 1.428 134 M HN 0.036 nan 8.290 nan 0.000 0.495 135 K N 1.461 121.844 120.400 -0.027 0.000 2.491 135 K HA 0.150 4.471 4.320 0.001 0.000 0.279 135 K C 1.095 177.670 176.600 -0.042 0.000 1.026 135 K CA 1.363 57.631 56.287 -0.030 0.000 1.070 135 K CB -0.096 32.389 32.500 -0.025 0.000 0.887 135 K HN 0.483 nan 8.250 nan 0.000 0.481 136 G N 3.283 112.046 108.800 -0.062 0.000 2.159 136 G HA2 -0.291 3.670 3.960 0.001 0.000 0.256 136 G HA3 -0.291 3.670 3.960 0.001 0.000 0.256 136 G C -0.089 174.781 174.900 -0.051 0.000 0.977 136 G CA 0.386 45.445 45.100 -0.069 0.000 0.652 136 G HN 0.588 nan 8.290 nan 0.000 0.531 137 R N -0.661 119.811 120.500 -0.047 0.000 2.919 137 R HA 0.631 4.971 4.340 0.001 0.000 0.260 137 R C -0.547 175.744 176.300 -0.016 0.000 1.067 137 R CA -0.608 55.487 56.100 -0.008 0.000 1.003 137 R CB 1.058 31.354 30.300 -0.008 0.000 1.192 137 R HN 0.103 nan 8.270 nan 0.000 0.488 138 T N 2.166 116.716 114.554 -0.007 0.000 2.780 138 T HA 0.181 4.531 4.350 0.001 0.000 0.294 138 T C 0.113 174.677 174.700 -0.228 0.000 0.949 138 T CA -0.153 61.863 62.100 -0.140 0.000 1.074 138 T CB 0.532 69.159 68.868 -0.400 0.000 0.910 138 T HN 0.301 nan 8.240 nan 0.000 0.501 139 M N 5.074 124.574 119.600 -0.166 0.000 2.108 139 M HA 0.305 4.785 4.480 0.001 0.000 0.347 139 M C -1.389 174.807 176.300 -0.173 0.000 1.326 139 M CA -0.524 54.709 55.300 -0.112 0.000 1.126 139 M CB 0.022 32.580 32.600 -0.069 0.000 1.606 139 M HN 0.565 nan 8.290 nan 0.000 0.462 140 Y N 3.698 124.051 120.300 0.088 0.000 2.304 140 Y HA 0.407 4.957 4.550 0.001 0.000 0.328 140 Y C -0.010 175.959 175.900 0.115 0.000 1.123 140 Y CA -0.556 57.608 58.100 0.107 0.000 1.218 140 Y CB 0.961 39.449 38.460 0.046 0.000 1.207 140 Y HN 0.332 nan 8.280 nan 0.000 0.495 141 V N 5.668 125.754 119.914 0.286 0.000 2.350 141 V HA 0.334 4.454 4.120 0.001 0.000 0.285 141 V C -0.256 175.977 176.094 0.233 0.000 1.014 141 V CA -0.789 61.639 62.300 0.213 0.000 0.831 141 V CB 0.865 32.770 31.823 0.138 0.000 1.000 141 V HN 0.579 nan 8.190 nan 0.000 0.433 142 I N 7.683 128.405 120.570 0.252 0.000 2.371 142 I HA 0.352 4.523 4.170 0.001 0.000 0.282 142 I C -2.489 173.825 176.117 0.328 0.000 1.031 142 I CA -1.941 59.511 61.300 0.253 0.000 1.180 142 I CB 1.934 40.059 38.000 0.209 0.000 1.336 142 I HN 0.403 nan 8.210 nan 0.000 0.467 143 P HA 0.263 nan 4.420 nan 0.000 0.287 143 P C -1.025 176.401 177.300 0.209 0.000 1.307 143 P CA -0.123 63.060 63.100 0.139 0.000 0.777 143 P CB 0.187 31.908 31.700 0.035 0.000 0.883 144 F N 0.099 120.091 119.950 0.069 0.000 2.578 144 F HA 0.737 5.264 4.527 0.001 0.000 0.311 144 F C -0.698 175.153 175.800 0.085 0.000 1.094 144 F CA -1.265 56.769 58.000 0.057 0.000 0.923 144 F CB 1.646 40.678 39.000 0.053 0.000 1.230 144 F HN 0.152 nan 8.300 nan 0.000 0.450 145 S N 4.800 120.558 115.700 0.098 0.000 2.437 145 S HA 0.616 5.086 4.470 0.001 0.000 0.305 145 S C -0.606 174.016 174.600 0.038 0.000 1.109 145 S CA -0.788 57.424 58.200 0.019 0.000 1.099 145 S CB 0.558 63.757 63.200 -0.003 0.000 1.004 145 S HN 0.621 nan 8.310 nan 0.000 0.475 146 M N 4.304 123.888 119.600 -0.026 0.000 2.077 146 M HA 0.483 4.963 4.480 0.001 0.000 0.348 146 M C 0.756 176.884 176.300 -0.286 0.000 1.252 146 M CA 0.185 55.348 55.300 -0.230 0.000 1.096 146 M CB -0.279 32.022 32.600 -0.498 0.000 1.568 146 M HN 1.036 nan 8.290 nan 0.000 0.456 147 G N 5.825 114.445 108.800 -0.300 0.000 2.619 147 G HA2 -0.039 3.922 3.960 0.001 0.000 0.686 147 G HA3 -0.039 3.922 3.960 0.001 0.000 0.686 147 G C -3.295 171.493 174.900 -0.186 0.000 1.256 147 G CA -1.431 43.514 45.100 -0.258 0.000 0.826 147 G HN 0.409 nan 8.290 nan 0.000 0.619 148 P HA 0.265 nan 4.420 nan 0.000 0.263 148 P C 1.675 178.882 177.300 -0.155 0.000 1.195 148 P CA 0.203 63.161 63.100 -0.237 0.000 0.762 148 P CB 0.475 32.007 31.700 -0.280 0.000 0.799 149 L N 3.084 124.227 121.223 -0.134 0.000 2.113 149 L HA -0.261 4.080 4.340 0.001 0.000 0.237 149 L C 1.609 178.437 176.870 -0.069 0.000 1.113 149 L CA 2.839 57.627 54.840 -0.086 0.000 0.837 149 L CB -2.070 39.941 42.059 -0.079 0.000 0.929 149 L HN 0.416 nan 8.230 nan 0.000 0.449 150 G N -0.568 108.186 108.800 -0.077 0.000 3.518 150 G HA2 0.226 4.186 3.960 0.001 0.000 0.273 150 G HA3 0.226 4.186 3.960 0.001 0.000 0.273 150 G C 0.263 175.123 174.900 -0.067 0.000 1.199 150 G CA 0.359 45.421 45.100 -0.062 0.000 0.899 150 G HN 0.535 nan 8.290 nan 0.000 0.533 151 S N 0.609 116.265 115.700 -0.074 0.000 2.528 151 S HA 0.324 4.795 4.470 0.001 0.000 0.277 151 S C -0.823 173.740 174.600 -0.060 0.000 1.297 151 S CA -1.156 56.999 58.200 -0.075 0.000 1.052 151 S CB 1.530 64.679 63.200 -0.084 0.000 0.917 151 S HN 0.022 nan 8.310 nan 0.000 0.492 152 P HA -0.047 nan 4.420 nan 0.000 0.221 152 P C 0.849 178.076 177.300 -0.120 0.000 1.145 152 P CA 0.593 63.643 63.100 -0.084 0.000 0.795 152 P CB 0.137 31.784 31.700 -0.089 0.000 0.775 153 L N -1.768 119.385 121.223 -0.118 0.000 2.591 153 L HA 0.201 4.542 4.340 0.001 0.000 0.228 153 L C 1.124 178.052 176.870 0.096 0.000 1.133 153 L CA -0.355 54.398 54.840 -0.146 0.000 0.880 153 L CB -1.864 40.124 42.059 -0.118 0.000 1.033 153 L HN -0.144 nan 8.230 nan 0.000 0.450 154 A N 0.616 123.483 122.820 0.079 0.000 2.407 154 A HA 0.388 4.709 4.320 0.001 0.000 0.248 154 A C 0.450 178.168 177.584 0.223 0.000 1.082 154 A CA 0.074 52.202 52.037 0.151 0.000 0.785 154 A CB 0.423 19.439 19.000 0.026 0.000 1.020 154 A HN 0.199 nan 8.150 nan 0.000 0.489 155 K N 1.327 121.938 120.400 0.351 0.000 2.498 155 K HA 0.544 4.865 4.320 0.001 0.000 0.254 155 K C -1.499 175.314 176.600 0.356 0.000 0.933 155 K CA -0.411 56.113 56.287 0.396 0.000 0.806 155 K CB 2.221 35.103 32.500 0.636 0.000 1.301 155 K HN 0.657 nan 8.250 nan 0.000 0.432 156 I N 0.867 121.572 120.570 0.225 0.000 2.525 156 I HA 0.454 4.625 4.170 0.001 0.000 0.301 156 I C 0.523 176.624 176.117 -0.026 0.000 0.992 156 I CA -0.448 60.880 61.300 0.047 0.000 1.162 156 I CB 2.015 40.016 38.000 0.002 0.000 1.332 156 I HN 0.662 nan 8.210 nan 0.000 0.458 157 G N 5.501 113.998 108.800 -0.505 0.000 2.569 157 G HA2 0.732 4.692 3.960 0.001 0.000 0.300 157 G HA3 0.732 4.692 3.960 0.001 0.000 0.300 157 G C -1.254 173.384 174.900 -0.438 0.000 1.269 157 G CA -0.411 44.351 45.100 -0.562 0.000 0.959 157 G HN 0.277 nan 8.290 nan 0.000 0.478 158 I N 0.803 121.413 120.570 0.066 0.000 2.410 158 I HA 0.360 4.530 4.170 0.001 0.000 0.286 158 I C -0.276 176.189 176.117 0.579 0.000 1.009 158 I CA -0.943 60.508 61.300 0.251 0.000 1.111 158 I CB 1.414 39.481 38.000 0.111 0.000 1.262 158 I HN 0.668 nan 8.210 nan 0.000 0.443 159 E N 7.209 127.796 120.200 0.644 0.000 2.151 159 E HA 0.592 4.942 4.350 0.001 0.000 0.275 159 E C -1.437 175.386 176.600 0.371 0.000 0.936 159 E CA -0.593 56.111 56.400 0.507 0.000 0.777 159 E CB 1.334 31.234 29.700 0.333 0.000 1.108 159 E HN 0.497 nan 8.360 nan 0.000 0.401 160 L N 3.697 125.122 121.223 0.337 0.000 2.295 160 L HA 0.557 4.898 4.340 0.001 0.000 0.285 160 L C 0.166 177.187 176.870 0.251 0.000 1.035 160 L CA -0.620 54.346 54.840 0.211 0.000 0.806 160 L CB 1.754 43.836 42.059 0.037 0.000 1.214 160 L HN 0.526 nan 8.230 nan 0.000 0.426 161 T N -0.734 113.973 114.554 0.255 0.000 2.889 161 T HA 0.266 4.617 4.350 0.001 0.000 0.315 161 T C -0.664 174.199 174.700 0.272 0.000 1.291 161 T CA -0.608 61.675 62.100 0.305 0.000 1.028 161 T CB 1.572 70.661 68.868 0.369 0.000 1.235 161 T HN 0.750 nan 8.240 nan 0.000 0.491 162 D N 1.207 121.716 120.400 0.181 0.000 2.368 162 D HA 0.224 4.865 4.640 0.001 0.000 0.218 162 D C 0.401 176.807 176.300 0.178 0.000 1.112 162 D CA -0.192 53.903 54.000 0.158 0.000 0.834 162 D CB 0.273 41.084 40.800 0.019 0.000 0.953 162 D HN 0.257 nan 8.370 nan 0.000 0.505 163 S N 0.679 116.488 115.700 0.182 0.000 2.438 163 S HA 0.399 4.870 4.470 0.001 0.000 0.316 163 S C -1.888 172.690 174.600 -0.036 0.000 1.084 163 S CA -1.509 56.733 58.200 0.069 0.000 1.107 163 S CB 1.609 64.853 63.200 0.074 0.000 0.981 163 S HN -0.247 nan 8.310 nan 0.000 0.466 164 P HA -0.089 nan 4.420 nan 0.000 0.218 164 P C 0.948 178.136 177.300 -0.188 0.000 1.149 164 P CA 0.828 63.741 63.100 -0.313 0.000 0.817 164 P CB -0.089 31.509 31.700 -0.171 0.000 0.785 165 Y N 0.164 120.347 120.300 -0.195 0.000 2.224 165 Y HA -0.189 4.362 4.550 0.001 0.000 0.289 165 Y C 1.931 177.755 175.900 -0.126 0.000 1.146 165 Y CA 1.194 59.218 58.100 -0.127 0.000 1.182 165 Y CB -0.748 37.663 38.460 -0.082 0.000 0.983 165 Y HN -0.280 nan 8.280 nan 0.000 0.524 166 V N -0.826 119.090 119.914 0.003 0.000 2.358 166 V HA -0.281 3.839 4.120 0.001 0.000 0.246 166 V C 2.301 178.278 176.094 -0.196 0.000 1.047 166 V CA 1.591 63.826 62.300 -0.109 0.000 1.035 166 V CB -0.653 31.127 31.823 -0.071 0.000 0.658 166 V HN 0.360 nan 8.190 nan 0.000 0.452 167 V N 0.471 120.255 119.914 -0.215 0.000 2.255 167 V HA -0.287 3.834 4.120 0.001 0.000 0.247 167 V C 2.743 178.732 176.094 -0.176 0.000 1.051 167 V CA 2.217 64.383 62.300 -0.224 0.000 1.018 167 V CB -1.231 30.359 31.823 -0.388 0.000 0.641 167 V HN 0.557 nan 8.190 nan 0.000 0.445 168 A N -0.289 122.431 122.820 -0.167 0.000 1.883 168 A HA -0.223 4.097 4.320 0.001 0.000 0.217 168 A C 2.467 179.984 177.584 -0.113 0.000 1.186 168 A CA 2.417 54.444 52.037 -0.017 0.000 0.624 168 A CB -0.763 18.195 19.000 -0.069 0.000 0.822 168 A HN 0.527 nan 8.150 nan 0.000 0.444 169 S N -0.487 115.041 115.700 -0.286 0.000 2.383 169 S HA -0.095 4.376 4.470 0.001 0.000 0.227 169 S C 1.956 176.395 174.600 -0.269 0.000 1.026 169 S CA 1.462 59.471 58.200 -0.320 0.000 0.981 169 S CB -0.279 62.627 63.200 -0.490 0.000 0.818 169 S HN 0.465 nan 8.310 nan 0.000 0.472 170 M N 1.044 120.486 119.600 -0.263 0.000 2.229 170 M HA 0.022 4.503 4.480 0.001 0.000 0.264 170 M C 2.171 178.351 176.300 -0.199 0.000 1.063 170 M CA 1.060 56.206 55.300 -0.258 0.000 1.114 170 M CB -0.973 31.467 32.600 -0.266 0.000 1.387 170 M HN 0.272 nan 8.290 nan 0.000 0.420 171 R N 0.486 120.874 120.500 -0.188 0.000 2.120 171 R HA -0.084 4.257 4.340 0.001 0.000 0.234 171 R C 1.928 178.093 176.300 -0.225 0.000 1.123 171 R CA 1.124 57.098 56.100 -0.210 0.000 0.975 171 R CB -0.052 30.057 30.300 -0.318 0.000 0.866 171 R HN 0.332 nan 8.270 nan 0.000 0.446 172 I N -0.155 120.286 120.570 -0.216 0.000 2.339 172 I HA -0.185 3.985 4.170 0.001 0.000 0.245 172 I C 1.919 177.943 176.117 -0.155 0.000 1.096 172 I CA 0.669 61.863 61.300 -0.177 0.000 1.408 172 I CB -0.076 37.846 38.000 -0.130 0.000 1.092 172 I HN 0.147 nan 8.210 nan 0.000 0.423 173 M N 0.356 119.853 119.600 -0.171 0.000 2.506 173 M HA 0.070 4.550 4.480 0.001 0.000 0.260 173 M C 1.005 177.212 176.300 -0.155 0.000 1.104 173 M CA 0.755 55.952 55.300 -0.171 0.000 1.112 173 M CB -1.077 31.389 32.600 -0.223 0.000 1.401 173 M HN 0.337 nan 8.290 nan 0.000 0.473 174 T N -1.538 112.934 114.554 -0.138 0.000 2.864 174 T HA 0.675 5.025 4.350 0.001 0.000 0.289 174 T C -0.434 174.246 174.700 -0.034 0.000 1.082 174 T CA -1.006 61.052 62.100 -0.070 0.000 1.009 174 T CB 2.141 70.992 68.868 -0.029 0.000 1.234 174 T HN 0.027 nan 8.240 nan 0.000 0.526 175 R N 0.959 121.464 120.500 0.007 0.000 2.254 175 R HA 0.632 4.972 4.340 0.001 0.000 0.318 175 R C -0.273 176.060 176.300 0.055 0.000 1.031 175 R CA -0.455 55.647 56.100 0.002 0.000 0.905 175 R CB 0.899 31.185 30.300 -0.024 0.000 1.050 175 R HN 0.585 nan 8.270 nan 0.000 0.456 176 M N 2.501 122.118 119.600 0.030 0.000 2.267 176 M HA 0.561 5.041 4.480 0.001 0.000 0.289 176 M C -0.585 175.740 176.300 0.041 0.000 1.043 176 M CA -0.019 55.320 55.300 0.065 0.000 0.928 176 M CB 1.798 34.418 32.600 0.034 0.000 1.613 176 M HN 0.762 nan 8.290 nan 0.000 0.450 177 G N 2.582 111.418 108.800 0.059 0.000 2.288 177 G HA2 -0.076 3.885 3.960 0.001 0.000 0.227 177 G HA3 -0.076 3.885 3.960 0.001 0.000 0.227 177 G C 0.023 174.943 174.900 0.034 0.000 1.339 177 G CA 0.100 45.230 45.100 0.050 0.000 1.057 177 G HN 0.500 nan 8.290 nan 0.000 0.470 178 T N 1.198 115.767 114.554 0.025 0.000 2.708 178 T HA -0.112 4.239 4.350 0.001 0.000 0.266 178 T C 2.878 177.579 174.700 0.003 0.000 1.037 178 T CA 3.309 65.416 62.100 0.012 0.000 1.146 178 T CB -0.629 68.245 68.868 0.010 0.000 0.865 178 T HN 1.388 nan 8.240 nan 0.000 0.435 179 S N 1.256 116.957 115.700 0.001 0.000 2.399 179 S HA -0.084 4.387 4.470 0.001 0.000 0.231 179 S C 2.142 176.736 174.600 -0.010 0.000 1.022 179 S CA 0.912 59.108 58.200 -0.006 0.000 0.983 179 S CB -0.883 62.311 63.200 -0.010 0.000 0.803 179 S HN 0.309 nan 8.310 nan 0.000 0.480 180 V N 1.427 121.338 119.914 -0.005 0.000 2.343 180 V HA -0.089 4.032 4.120 0.001 0.000 0.247 180 V C 2.549 178.628 176.094 -0.025 0.000 1.051 180 V CA 1.565 63.859 62.300 -0.010 0.000 1.036 180 V CB -0.879 30.947 31.823 0.005 0.000 0.654 180 V HN 0.383 nan 8.190 nan 0.000 0.451 181 L N 0.121 121.329 121.223 -0.025 0.000 2.017 181 L HA -0.169 4.171 4.340 0.001 0.000 0.208 181 L C 2.455 179.307 176.870 -0.030 0.000 1.073 181 L CA 1.881 56.697 54.840 -0.041 0.000 0.745 181 L CB -0.860 41.181 42.059 -0.031 0.000 0.894 181 L HN 0.390 nan 8.230 nan 0.000 0.432 182 E N -1.113 119.076 120.200 -0.019 0.000 2.085 182 E HA -0.231 4.119 4.350 0.001 0.000 0.194 182 E C 2.159 178.751 176.600 -0.014 0.000 0.994 182 E CA 1.174 57.565 56.400 -0.014 0.000 0.801 182 E CB -0.233 29.461 29.700 -0.010 0.000 0.743 182 E HN 0.576 nan 8.360 nan 0.000 0.453 183 A N 1.106 123.916 122.820 -0.015 0.000 1.898 183 A HA -0.145 4.176 4.320 0.001 0.000 0.216 183 A C 2.163 179.741 177.584 -0.009 0.000 1.181 183 A CA 0.922 52.951 52.037 -0.013 0.000 0.620 183 A CB -0.511 18.479 19.000 -0.016 0.000 0.819 183 A HN 0.237 nan 8.150 nan 0.000 0.442 184 L N -0.467 120.748 121.223 -0.014 0.000 2.012 184 L HA 0.080 4.421 4.340 0.001 0.000 0.210 184 L C 1.771 178.646 176.870 0.007 0.000 1.073 184 L CA 2.032 56.869 54.840 -0.005 0.000 0.748 184 L CB -1.129 40.909 42.059 -0.036 0.000 0.891 184 L HN 0.733 nan 8.230 nan 0.000 0.431 185 G N -0.633 108.165 108.800 -0.003 0.000 2.652 185 G HA2 -0.495 3.466 3.960 0.001 0.000 0.318 185 G HA3 -0.495 3.466 3.960 0.001 0.000 0.318 185 G C 0.490 175.403 174.900 0.022 0.000 1.295 185 G CA 0.779 45.882 45.100 0.005 0.000 0.999 185 G HN 0.465 nan 8.290 nan 0.000 0.548 186 D N 1.696 122.114 120.400 0.030 0.000 2.319 186 D HA 0.435 5.076 4.640 0.001 0.000 0.230 186 D C 1.477 177.814 176.300 0.061 0.000 1.094 186 D CA 0.816 54.844 54.000 0.048 0.000 0.856 186 D CB -0.080 40.741 40.800 0.035 0.000 0.915 186 D HN 0.664 nan 8.370 nan 0.000 0.517 187 G N 0.444 109.281 108.800 0.061 0.000 2.683 187 G HA2 0.059 4.020 3.960 0.001 0.000 0.260 187 G HA3 0.059 4.020 3.960 0.001 0.000 0.260 187 G C -0.076 174.892 174.900 0.115 0.000 1.238 187 G CA -0.514 44.624 45.100 0.063 0.000 0.934 187 G HN 0.191 nan 8.290 nan 0.000 0.534 188 E N -1.194 119.044 120.200 0.064 0.000 2.283 188 E HA 0.555 4.906 4.350 0.001 0.000 0.271 188 E C -0.995 175.644 176.600 0.065 0.000 1.031 188 E CA -0.771 55.629 56.400 0.001 0.000 0.868 188 E CB 0.866 30.518 29.700 -0.079 0.000 1.094 188 E HN 0.373 nan 8.360 nan 0.000 0.401 189 F N 1.837 121.705 119.950 -0.137 0.000 2.619 189 F HA 0.438 4.966 4.527 0.001 0.000 0.308 189 F C -1.214 174.424 175.800 -0.270 0.000 1.097 189 F CA -1.474 56.416 58.000 -0.183 0.000 0.953 189 F CB 0.544 39.440 39.000 -0.173 0.000 1.287 189 F HN 0.395 nan 8.300 nan 0.000 0.446 190 I N 2.928 123.337 120.570 -0.268 0.000 2.496 190 I HA 0.287 4.458 4.170 0.001 0.000 0.285 190 I C -0.529 175.438 176.117 -0.250 0.000 1.080 190 I CA -0.048 61.009 61.300 -0.406 0.000 1.404 190 I CB 0.701 38.298 38.000 -0.672 0.000 1.403 190 I HN 0.656 nan 8.210 nan 0.000 0.539 191 K N 7.330 127.484 120.400 -0.409 0.000 2.310 191 K HA 0.336 4.656 4.320 0.001 0.000 0.290 191 K C -1.214 175.372 176.600 -0.024 0.000 1.077 191 K CA -0.418 55.551 56.287 -0.530 0.000 0.922 191 K CB 0.307 32.329 32.500 -0.797 0.000 1.057 191 K HN 0.557 nan 8.250 nan 0.000 0.479 192 C N 4.452 123.931 119.300 0.299 0.000 2.319 192 C HA 0.481 4.942 4.460 0.001 0.000 0.323 192 C C -0.671 174.630 174.990 0.518 0.000 1.277 192 C CA -1.091 58.167 59.018 0.401 0.000 1.517 192 C CB -0.231 27.779 27.740 0.451 0.000 2.206 192 C HN 0.682 nan 8.230 nan 0.000 0.486 193 L N 4.585 126.053 121.223 0.408 0.000 2.362 193 L HA 0.645 4.986 4.340 0.001 0.000 0.275 193 L C -0.615 176.510 176.870 0.425 0.000 0.998 193 L CA 0.162 55.219 54.840 0.361 0.000 0.820 193 L CB 0.913 43.111 42.059 0.232 0.000 1.270 193 L HN 0.838 nan 8.230 nan 0.000 0.415 194 H N 3.304 122.559 119.070 0.309 0.000 2.759 194 H HA 0.595 5.152 4.556 0.001 0.000 0.354 194 H C -1.971 173.510 175.328 0.254 0.000 1.074 194 H CA -0.342 55.886 56.048 0.300 0.000 1.226 194 H CB 2.058 31.931 29.762 0.185 0.000 1.648 194 H HN 0.697 nan 8.280 nan 0.000 0.529 195 S N 3.350 118.764 115.700 -0.476 0.000 2.536 195 S HA 0.245 4.716 4.470 0.001 0.000 0.287 195 S C 1.153 175.171 174.600 -0.970 0.000 1.101 195 S CA -0.231 57.583 58.200 -0.643 0.000 0.950 195 S CB 1.257 64.258 63.200 -0.333 0.000 1.056 195 S HN 0.541 nan 8.310 nan 0.000 0.481 196 V N 1.924 121.415 119.914 -0.705 0.000 2.913 196 V HA 0.315 4.436 4.120 0.001 0.000 0.260 196 V C 1.557 177.237 176.094 -0.691 0.000 1.098 196 V CA 1.100 63.071 62.300 -0.550 0.000 1.121 196 V CB -1.503 30.105 31.823 -0.358 0.000 0.714 196 V HN 1.814 nan 8.190 nan 0.000 0.487 197 G N -0.821 107.459 108.800 -0.867 0.000 2.137 197 G HA2 -0.229 3.732 3.960 0.001 0.000 0.237 197 G HA3 -0.229 3.732 3.960 0.001 0.000 0.237 197 G C -0.002 174.679 174.900 -0.365 0.000 1.002 197 G CA -0.071 44.417 45.100 -1.020 0.000 0.702 197 G HN 0.788 nan 8.290 nan 0.000 0.515 198 C N 2.256 121.398 119.300 -0.264 0.000 3.414 198 C HA 0.428 4.888 4.460 0.001 0.000 0.208 198 C C -1.305 173.626 174.990 -0.099 0.000 1.422 198 C CA -1.449 57.483 59.018 -0.145 0.000 1.437 198 C CB 0.301 27.958 27.740 -0.138 0.000 1.850 198 C HN 0.509 nan 8.230 nan 0.000 0.481 199 P HA 0.106 nan 4.420 nan 0.000 0.268 199 P C -0.665 176.611 177.300 -0.040 0.000 1.208 199 P CA 0.582 63.652 63.100 -0.051 0.000 0.777 199 P CB 1.038 32.717 31.700 -0.035 0.000 0.875 200 L N 3.757 124.960 121.223 -0.034 0.000 2.325 200 L HA 0.411 4.752 4.340 0.001 0.000 0.279 200 L C -1.685 175.172 176.870 -0.023 0.000 1.054 200 L CA -2.260 52.565 54.840 -0.025 0.000 0.804 200 L CB 0.836 42.883 42.059 -0.020 0.000 1.200 200 L HN 0.274 nan 8.230 nan 0.000 0.436 201 P HA 0.165 nan 4.420 nan 0.000 0.275 201 P C -0.584 176.706 177.300 -0.015 0.000 1.227 201 P CA -0.453 62.639 63.100 -0.014 0.000 0.781 201 P CB 0.732 32.426 31.700 -0.010 0.000 0.906 202 L N 2.726 123.940 121.223 -0.014 0.000 2.559 202 L HA -0.053 4.288 4.340 0.001 0.000 0.274 202 L C 1.671 178.534 176.870 -0.011 0.000 1.205 202 L CA 0.203 55.034 54.840 -0.015 0.000 0.907 202 L CB -0.048 42.004 42.059 -0.012 0.000 1.153 202 L HN 0.329 nan 8.230 nan 0.000 0.490 203 K N 2.122 122.515 120.400 -0.012 0.000 2.262 203 K HA 0.139 4.460 4.320 0.001 0.000 0.200 203 K C -0.032 176.566 176.600 -0.003 0.000 1.049 203 K CA 1.006 57.289 56.287 -0.007 0.000 0.979 203 K CB 0.232 32.727 32.500 -0.008 0.000 0.773 203 K HN 0.423 nan 8.250 nan 0.000 0.474 204 K N 0.140 120.538 120.400 -0.003 0.000 2.435 204 K HA 0.362 4.683 4.320 0.001 0.000 0.251 204 K C -2.631 173.972 176.600 0.004 0.000 0.954 204 K CA -2.210 54.079 56.287 0.002 0.000 0.820 204 K CB 1.662 34.165 32.500 0.005 0.000 1.292 204 K HN -0.203 nan 8.250 nan 0.000 0.436 205 P HA -0.026 nan 4.420 nan 0.000 0.267 205 P C -1.050 176.261 177.300 0.018 0.000 1.200 205 P CA -0.419 62.689 63.100 0.013 0.000 0.772 205 P CB 0.406 32.114 31.700 0.014 0.000 0.855 206 L N 3.624 124.859 121.223 0.020 0.000 2.264 206 L HA 0.257 4.597 4.340 0.001 0.000 0.289 206 L C -0.655 176.244 176.870 0.047 0.000 1.044 206 L CA -0.418 54.440 54.840 0.031 0.000 0.807 206 L CB 1.050 43.121 42.059 0.021 0.000 1.192 206 L HN 0.058 nan 8.230 nan 0.000 0.425 207 V N 6.174 126.130 119.914 0.071 0.000 2.383 207 V HA 0.355 4.475 4.120 0.001 0.000 0.275 207 V C 0.161 176.318 176.094 0.106 0.000 1.036 207 V CA -0.627 61.716 62.300 0.070 0.000 0.889 207 V CB 0.949 32.808 31.823 0.061 0.000 0.985 207 V HN 0.929 nan 8.190 nan 0.000 0.459 208 N N 4.299 123.045 118.700 0.076 0.000 2.747 208 N HA -0.198 4.543 4.740 0.001 0.000 0.249 208 N C 0.509 176.110 175.510 0.150 0.000 1.107 208 N CA 0.982 54.085 53.050 0.089 0.000 0.707 208 N CB -1.313 37.211 38.487 0.063 0.000 1.054 208 N HN 0.884 nan 8.380 nan 0.000 0.555 209 N N -2.223 116.550 118.700 0.122 0.000 2.696 209 N HA -0.235 4.506 4.740 0.001 0.000 0.249 209 N C -0.817 174.794 175.510 0.169 0.000 1.090 209 N CA 1.229 54.347 53.050 0.114 0.000 0.716 209 N CB -1.040 37.502 38.487 0.091 0.000 1.020 209 N HN 0.626 nan 8.380 nan 0.000 0.548 210 W N 1.071 122.363 121.300 -0.013 0.000 2.363 210 W HA 0.579 5.239 4.660 0.001 0.000 0.314 210 W C -0.431 176.071 176.519 -0.028 0.000 0.994 210 W CA -0.864 56.465 57.345 -0.027 0.000 1.449 210 W CB 0.654 30.103 29.460 -0.018 0.000 1.248 210 W HN 0.088 nan 8.180 nan 0.000 0.409 211 A N 5.337 127.951 122.820 -0.344 0.000 2.492 211 A HA 0.489 4.809 4.320 0.001 0.000 0.254 211 A C -0.086 177.301 177.584 -0.329 0.000 1.091 211 A CA 0.469 52.344 52.037 -0.269 0.000 0.768 211 A CB -0.350 18.502 19.000 -0.247 0.000 1.028 211 A HN 0.855 nan 8.150 nan 0.000 0.498 212 C N 1.386 120.609 119.300 -0.128 0.000 3.307 212 C HA 0.770 5.230 4.460 0.001 0.000 0.333 212 C C -0.948 174.010 174.990 -0.055 0.000 1.291 212 C CA -0.989 57.989 59.018 -0.067 0.000 1.273 212 C CB 1.536 29.367 27.740 0.152 0.000 1.580 212 C HN 0.795 nan 8.230 nan 0.000 0.481 213 N N 1.433 120.087 118.700 -0.076 0.000 2.727 213 N HA 0.429 5.169 4.740 0.001 0.000 0.252 213 N C -2.182 173.343 175.510 0.026 0.000 1.283 213 N CA -1.508 51.519 53.050 -0.039 0.000 0.782 213 N CB 1.584 40.016 38.487 -0.091 0.000 1.199 213 N HN 0.503 nan 8.380 nan 0.000 0.520 214 P HA -0.052 nan 4.420 nan 0.000 0.216 214 P C 0.772 178.116 177.300 0.073 0.000 1.153 214 P CA 1.154 64.295 63.100 0.070 0.000 0.848 214 P CB 0.646 32.385 31.700 0.065 0.000 0.787 215 E N -0.505 119.733 120.200 0.064 0.000 2.130 215 E HA -0.140 4.211 4.350 0.001 0.000 0.196 215 E C 1.502 178.152 176.600 0.082 0.000 0.998 215 E CA 1.084 57.522 56.400 0.063 0.000 0.806 215 E CB -0.816 28.914 29.700 0.049 0.000 0.738 215 E HN 0.268 nan 8.360 nan 0.000 0.459 216 L N 0.345 121.638 121.223 0.117 0.000 2.667 216 L HA 0.168 4.509 4.340 0.001 0.000 0.232 216 L C 0.179 177.195 176.870 0.244 0.000 1.138 216 L CA -0.286 54.653 54.840 0.164 0.000 0.921 216 L CB 0.180 42.364 42.059 0.210 0.000 1.180 216 L HN -0.095 nan 8.230 nan 0.000 0.487 217 T N 2.341 117.007 114.554 0.188 0.000 2.902 217 T HA 0.270 4.621 4.350 0.001 0.000 0.301 217 T C -0.416 174.412 174.700 0.214 0.000 1.012 217 T CA 0.586 62.806 62.100 0.199 0.000 1.151 217 T CB 0.781 69.736 68.868 0.145 0.000 0.946 217 T HN -0.006 nan 8.240 nan 0.000 0.542 218 L N 5.041 126.428 121.223 0.272 0.000 2.588 218 L HA 0.565 4.905 4.340 0.001 0.000 0.263 218 L C -1.810 175.243 176.870 0.305 0.000 0.935 218 L CA -0.426 54.576 54.840 0.270 0.000 0.891 218 L CB 1.580 43.810 42.059 0.287 0.000 1.318 218 L HN 0.510 nan 8.230 nan 0.000 0.409 219 I N 5.137 125.851 120.570 0.240 0.000 2.405 219 I HA 0.772 4.942 4.170 0.001 0.000 0.280 219 I C 0.079 176.240 176.117 0.073 0.000 1.027 219 I CA -0.034 61.377 61.300 0.185 0.000 1.161 219 I CB 1.586 39.708 38.000 0.202 0.000 1.300 219 I HN 0.693 nan 8.210 nan 0.000 0.463 220 A N 5.010 127.797 122.820 -0.055 0.000 2.340 220 A HA 0.890 5.211 4.320 0.001 0.000 0.331 220 A C -1.117 176.180 177.584 -0.480 0.000 1.140 220 A CA -0.510 51.414 52.037 -0.189 0.000 0.801 220 A CB 0.564 19.387 19.000 -0.296 0.000 1.234 220 A HN 0.686 nan 8.150 nan 0.000 0.469 221 H N 0.314 119.306 119.070 -0.130 0.000 2.667 221 H HA 0.596 5.153 4.556 0.001 0.000 0.353 221 H C -1.392 173.841 175.328 -0.158 0.000 1.072 221 H CA -0.470 55.527 56.048 -0.085 0.000 1.214 221 H CB 1.407 31.177 29.762 0.014 0.000 1.600 221 H HN 0.383 nan 8.280 nan 0.000 0.527 222 L N 5.075 126.258 121.223 -0.067 0.000 2.488 222 L HA 0.285 4.625 4.340 0.001 0.000 0.250 222 L C -1.764 175.068 176.870 -0.062 0.000 1.280 222 L CA -1.131 53.643 54.840 -0.109 0.000 0.929 222 L CB 1.531 43.467 42.059 -0.206 0.000 1.200 222 L HN 0.529 nan 8.230 nan 0.000 0.495 223 P HA -0.142 nan 4.420 nan 0.000 0.217 223 P C 0.551 177.814 177.300 -0.063 0.000 1.150 223 P CA 1.190 64.272 63.100 -0.030 0.000 0.832 223 P CB 0.537 32.237 31.700 0.000 0.000 0.787 224 D N 0.302 120.671 120.400 -0.051 0.000 2.104 224 D HA -0.143 4.497 4.640 0.001 0.000 0.194 224 D C 2.052 178.301 176.300 -0.084 0.000 0.994 224 D CA 1.212 55.176 54.000 -0.059 0.000 0.830 224 D CB -0.559 40.219 40.800 -0.038 0.000 0.959 224 D HN 0.224 nan 8.370 nan 0.000 0.452 225 R N -0.069 120.375 120.500 -0.093 0.000 2.299 225 R HA 0.194 4.535 4.340 0.001 0.000 0.197 225 R C 0.131 176.333 176.300 -0.164 0.000 0.971 225 R CA -0.030 55.998 56.100 -0.119 0.000 1.030 225 R CB 0.173 30.406 30.300 -0.112 0.000 0.932 225 R HN 0.098 nan 8.270 nan 0.000 0.477 226 R N 0.941 121.346 120.500 -0.158 0.000 3.336 226 R HA -0.190 4.150 4.340 0.001 0.000 0.260 226 R C -1.124 175.043 176.300 -0.222 0.000 1.032 226 R CA 0.806 56.783 56.100 -0.204 0.000 0.693 226 R CB -2.030 28.109 30.300 -0.268 0.000 1.134 226 R HN 0.394 nan 8.270 nan 0.000 0.433 227 E N 0.315 120.422 120.200 -0.155 0.000 2.266 227 E HA 0.569 4.920 4.350 0.001 0.000 0.268 227 E C -0.380 176.175 176.600 -0.076 0.000 0.879 227 E CA -0.898 55.430 56.400 -0.121 0.000 0.762 227 E CB 2.012 31.650 29.700 -0.103 0.000 1.199 227 E HN 0.117 nan 8.360 nan 0.000 0.422 228 I N 3.442 124.002 120.570 -0.017 0.000 2.436 228 I HA 0.427 4.598 4.170 0.001 0.000 0.289 228 I C -0.723 175.425 176.117 0.052 0.000 1.010 228 I CA -0.552 60.735 61.300 -0.022 0.000 1.098 228 I CB 1.303 39.341 38.000 0.065 0.000 1.266 228 I HN 0.338 nan 8.210 nan 0.000 0.434 229 I N 5.029 125.611 120.570 0.021 0.000 2.468 229 I HA 0.327 4.498 4.170 0.001 0.000 0.285 229 I C -0.474 175.840 176.117 0.328 0.000 1.039 229 I CA -0.260 61.155 61.300 0.192 0.000 1.074 229 I CB 1.965 40.109 38.000 0.239 0.000 1.228 229 I HN 0.469 nan 8.210 nan 0.000 0.436 230 S N 6.718 122.707 115.700 0.481 0.000 2.557 230 S HA 0.712 5.182 4.470 0.001 0.000 0.291 230 S C -1.438 173.534 174.600 0.620 0.000 1.116 230 S CA -0.382 58.114 58.200 0.494 0.000 0.992 230 S CB 1.287 64.718 63.200 0.384 0.000 1.028 230 S HN 0.413 nan 8.310 nan 0.000 0.484 231 F N 3.422 123.543 119.950 0.286 0.000 2.547 231 F HA 0.657 5.184 4.527 0.001 0.000 0.316 231 F C 0.866 176.662 175.800 -0.007 0.000 1.121 231 F CA 0.598 58.594 58.000 -0.007 0.000 0.911 231 F CB 1.754 40.620 39.000 -0.224 0.000 1.179 231 F HN 0.895 nan 8.300 nan 0.000 0.443 232 G N 2.651 111.105 108.800 -0.577 0.000 2.258 232 G HA2 -0.205 3.756 3.960 0.001 0.000 0.233 232 G HA3 -0.205 3.756 3.960 0.001 0.000 0.233 232 G C -0.039 174.808 174.900 -0.088 0.000 1.006 232 G CA 0.148 45.027 45.100 -0.367 0.000 0.620 232 G HN 1.057 nan 8.290 nan 0.000 0.511 233 S N 0.020 115.759 115.700 0.064 0.000 2.472 233 S HA 0.637 5.107 4.470 0.001 0.000 0.303 233 S C 1.074 175.849 174.600 0.291 0.000 1.099 233 S CA 0.753 59.070 58.200 0.196 0.000 1.077 233 S CB 1.592 64.932 63.200 0.234 0.000 1.031 233 S HN 1.391 nan 8.310 nan 0.000 0.487 234 G N 2.520 111.494 108.800 0.289 0.000 3.337 234 G HA2 0.185 4.146 3.960 0.001 0.000 0.246 234 G HA3 0.185 4.146 3.960 0.001 0.000 0.246 234 G C -0.387 174.745 174.900 0.387 0.000 1.131 234 G CA -0.073 45.144 45.100 0.194 0.000 0.773 234 G HN 0.672 nan 8.290 nan 0.000 0.544 235 Y N 0.987 121.487 120.300 0.333 0.000 2.342 235 Y HA 0.456 5.007 4.550 0.001 0.000 0.334 235 Y C 1.397 177.427 175.900 0.216 0.000 1.067 235 Y CA 0.266 58.560 58.100 0.323 0.000 1.128 235 Y CB 1.401 39.995 38.460 0.222 0.000 1.200 235 Y HN 0.344 nan 8.280 nan 0.000 0.464 236 G N 3.317 112.107 108.800 -0.017 0.000 2.685 236 G HA2 -0.443 3.517 3.960 0.001 0.000 0.357 236 G HA3 -0.443 3.517 3.960 0.001 0.000 0.357 236 G C 1.340 176.198 174.900 -0.070 0.000 1.272 236 G CA 0.756 45.814 45.100 -0.071 0.000 0.972 236 G HN 1.400 nan 8.290 nan 0.000 0.550 237 G N -0.031 108.827 108.800 0.096 0.000 2.501 237 G HA2 -0.180 3.780 3.960 0.001 0.000 0.220 237 G HA3 -0.180 3.780 3.960 0.001 0.000 0.220 237 G C 1.529 176.512 174.900 0.138 0.000 1.114 237 G CA 1.566 46.728 45.100 0.105 0.000 0.757 237 G HN 0.602 nan 8.290 nan 0.000 0.559 238 N N 0.547 119.351 118.700 0.174 0.000 2.270 238 N HA -0.064 4.677 4.740 0.001 0.000 0.181 238 N C 2.379 177.945 175.510 0.092 0.000 1.016 238 N CA 1.557 54.713 53.050 0.178 0.000 0.870 238 N CB 0.044 38.669 38.487 0.230 0.000 0.979 238 N HN 0.513 nan 8.380 nan 0.000 0.431 239 S N -0.913 114.761 115.700 -0.044 0.000 2.619 239 S HA 0.235 4.705 4.470 0.001 0.000 0.238 239 S C 0.531 174.928 174.600 -0.339 0.000 1.068 239 S CA -0.421 57.557 58.200 -0.370 0.000 0.926 239 S CB 0.112 63.087 63.200 -0.374 0.000 0.864 239 S HN 0.015 nan 8.310 nan 0.000 0.493 240 L N 3.177 124.260 121.223 -0.233 0.000 2.358 240 L HA 0.432 4.773 4.340 0.001 0.000 0.274 240 L C 0.597 177.350 176.870 -0.194 0.000 1.136 240 L CA -0.271 54.401 54.840 -0.280 0.000 0.970 240 L CB 0.589 42.407 42.059 -0.401 0.000 1.314 240 L HN 0.260 nan 8.230 nan 0.000 0.427 241 L N 1.641 122.775 121.223 -0.149 0.000 2.418 241 L HA 0.044 4.384 4.340 0.001 0.000 0.218 241 L C 2.390 179.349 176.870 0.149 0.000 1.125 241 L CA 0.605 55.467 54.840 0.037 0.000 0.835 241 L CB -0.238 41.900 42.059 0.132 0.000 0.953 241 L HN 0.745 nan 8.230 nan 0.000 0.454 242 G N 0.460 109.222 108.800 -0.063 0.000 2.432 242 G HA2 -0.252 3.708 3.960 0.001 0.000 0.219 242 G HA3 -0.252 3.708 3.960 0.001 0.000 0.219 242 G C 1.597 176.505 174.900 0.012 0.000 1.135 242 G CA 0.603 45.732 45.100 0.048 0.000 0.767 242 G HN 0.283 nan 8.290 nan 0.000 0.550 243 K N 0.093 120.461 120.400 -0.052 0.000 1.995 243 K HA 0.016 4.336 4.320 0.001 0.000 0.217 243 K C 2.476 179.071 176.600 -0.008 0.000 1.030 243 K CA 0.805 57.047 56.287 -0.074 0.000 0.971 243 K CB -0.066 32.350 32.500 -0.141 0.000 0.775 243 K HN -0.077 nan 8.250 nan 0.000 0.446 244 K N 0.627 121.030 120.400 0.005 0.000 2.044 244 K HA -0.039 4.282 4.320 0.001 0.000 0.204 244 K C 2.437 179.154 176.600 0.195 0.000 1.049 244 K CA 1.161 57.451 56.287 0.006 0.000 0.945 244 K CB -0.887 31.668 32.500 0.090 0.000 0.724 244 K HN 0.349 nan 8.250 nan 0.000 0.440 245 C N 1.092 120.576 119.300 0.306 0.000 2.413 245 C HA -0.131 4.330 4.460 0.001 0.000 0.277 245 C C 2.617 177.904 174.990 0.496 0.000 1.228 245 C CA 0.622 59.930 59.018 0.484 0.000 1.731 245 C CB -0.893 27.096 27.740 0.414 0.000 2.042 245 C HN 0.397 nan 8.230 nan 0.000 0.468 246 F N 1.917 122.039 119.950 0.286 0.000 2.188 246 F HA 0.262 4.789 4.527 0.001 0.000 0.289 246 F C 2.290 178.310 175.800 0.367 0.000 1.082 246 F CA 1.335 59.529 58.000 0.324 0.000 1.282 246 F CB -1.194 38.037 39.000 0.385 0.000 1.060 246 F HN 0.129 nan 8.300 nan 0.000 0.493 247 A N 0.276 123.395 122.820 0.498 0.000 2.067 247 A HA 0.085 4.406 4.320 0.001 0.000 0.217 247 A C 2.212 180.128 177.584 0.553 0.000 1.156 247 A CA 1.219 53.584 52.037 0.547 0.000 0.683 247 A CB -0.590 18.495 19.000 0.141 0.000 0.808 247 A HN 0.472 nan 8.150 nan 0.000 0.455 248 L N -1.970 119.430 121.223 0.294 0.000 2.379 248 L HA 0.102 4.443 4.340 0.001 0.000 0.190 248 L C 2.741 179.734 176.870 0.204 0.000 1.111 248 L CA 0.228 55.184 54.840 0.192 0.000 0.820 248 L CB -0.477 41.535 42.059 -0.077 0.000 1.046 248 L HN 0.207 nan 8.230 nan 0.000 0.485 249 R N 0.350 120.956 120.500 0.177 0.000 2.064 249 R HA -0.071 4.270 4.340 0.001 0.000 0.228 249 R C 2.175 178.558 176.300 0.139 0.000 1.144 249 R CA 1.143 57.300 56.100 0.096 0.000 0.932 249 R CB -0.432 29.770 30.300 -0.163 0.000 0.833 249 R HN 0.176 nan 8.270 nan 0.000 0.429 250 I N 1.349 122.036 120.570 0.195 0.000 2.163 250 I HA -0.237 3.933 4.170 0.001 0.000 0.243 250 I C 2.602 178.781 176.117 0.104 0.000 1.085 250 I CA 1.527 62.917 61.300 0.149 0.000 1.347 250 I CB -1.464 36.619 38.000 0.139 0.000 1.044 250 I HN 0.207 nan 8.210 nan 0.000 0.408 251 A N 1.014 123.951 122.820 0.194 0.000 1.930 251 A HA -0.186 4.134 4.320 0.001 0.000 0.217 251 A C 2.528 179.972 177.584 -0.234 0.000 1.175 251 A CA 2.147 54.186 52.037 0.003 0.000 0.627 251 A CB -0.811 18.260 19.000 0.118 0.000 0.815 251 A HN 0.573 nan 8.150 nan 0.000 0.443 252 S N -0.038 115.670 115.700 0.012 0.000 2.383 252 S HA -0.244 4.227 4.470 0.001 0.000 0.229 252 S C 2.032 176.652 174.600 0.032 0.000 1.030 252 S CA 1.419 59.690 58.200 0.117 0.000 1.002 252 S CB -0.441 62.991 63.200 0.386 0.000 0.829 252 S HN 0.653 nan 8.310 nan 0.000 0.467 253 R N 1.105 121.606 120.500 0.002 0.000 2.062 253 R HA 0.143 4.483 4.340 0.001 0.000 0.229 253 R C 2.371 178.432 176.300 -0.397 0.000 1.128 253 R CA 1.166 57.127 56.100 -0.232 0.000 0.960 253 R CB -0.498 29.762 30.300 -0.066 0.000 0.855 253 R HN 0.466 nan 8.270 nan 0.000 0.432 254 L N 0.509 121.533 121.223 -0.332 0.000 2.042 254 L HA -0.177 4.164 4.340 0.001 0.000 0.210 254 L C 2.743 179.215 176.870 -0.662 0.000 1.076 254 L CA 1.451 56.079 54.840 -0.352 0.000 0.749 254 L CB -0.699 41.251 42.059 -0.182 0.000 0.893 254 L HN 0.333 nan 8.230 nan 0.000 0.432 255 A N 0.657 122.785 122.820 -1.153 0.000 1.883 255 A HA -0.281 4.039 4.320 0.001 0.000 0.217 255 A C 2.328 179.408 177.584 -0.840 0.000 1.186 255 A CA 2.204 53.238 52.037 -1.672 0.000 0.624 255 A CB -0.490 17.677 19.000 -1.388 0.000 0.822 255 A HN 0.338 nan 8.150 nan 0.000 0.444 256 K N 0.537 120.464 120.400 -0.788 0.000 2.063 256 K HA -0.178 4.143 4.320 0.001 0.000 0.208 256 K C 1.621 177.825 176.600 -0.661 0.000 1.048 256 K CA 2.215 57.866 56.287 -1.059 0.000 0.928 256 K CB -0.388 31.389 32.500 -1.206 0.000 0.713 256 K HN 0.629 nan 8.250 nan 0.000 0.442 257 E N -0.336 119.575 120.200 -0.482 0.000 2.285 257 E HA -0.083 4.268 4.350 0.001 0.000 0.194 257 E C 1.161 177.670 176.600 -0.151 0.000 0.997 257 E CA 0.989 57.222 56.400 -0.278 0.000 0.845 257 E CB 0.169 29.735 29.700 -0.224 0.000 0.782 257 E HN 0.475 nan 8.360 nan 0.000 0.491 258 E N -0.823 119.294 120.200 -0.139 0.000 2.526 258 E HA 0.149 4.499 4.350 0.001 0.000 0.208 258 E C 0.516 177.240 176.600 0.207 0.000 0.997 258 E CA 0.221 56.669 56.400 0.081 0.000 0.961 258 E CB 1.409 31.280 29.700 0.285 0.000 1.030 258 E HN 0.244 nan 8.360 nan 0.000 0.483 259 G N 1.615 110.500 108.800 0.141 0.000 2.140 259 G HA2 -0.169 3.792 3.960 0.001 0.000 0.211 259 G HA3 -0.169 3.792 3.960 0.001 0.000 0.211 259 G C -0.251 174.862 174.900 0.355 0.000 1.013 259 G CA 0.200 45.454 45.100 0.256 0.000 0.705 259 G HN 0.220 nan 8.290 nan 0.000 0.508 260 W N -1.330 120.045 121.300 0.125 0.000 3.505 260 W HA 0.850 5.511 4.660 0.001 0.000 0.338 260 W C -0.988 175.605 176.519 0.124 0.000 1.159 260 W CA -1.602 55.782 57.345 0.065 0.000 0.981 260 W CB 0.823 30.281 29.460 -0.003 0.000 1.575 260 W HN 0.164 nan 8.180 nan 0.000 0.608 261 L N 1.317 122.738 121.223 0.329 0.000 2.431 261 L HA 0.694 5.035 4.340 0.001 0.000 0.266 261 L C -0.618 176.458 176.870 0.344 0.000 0.978 261 L CA -0.910 54.046 54.840 0.194 0.000 0.822 261 L CB 1.898 43.990 42.059 0.055 0.000 1.310 261 L HN 0.592 nan 8.230 nan 0.000 0.409 262 A N 2.773 125.759 122.820 0.277 0.000 2.332 262 A HA 0.840 5.160 4.320 0.001 0.000 0.300 262 A C -0.947 176.927 177.584 0.484 0.000 1.153 262 A CA -0.494 51.793 52.037 0.416 0.000 0.764 262 A CB 1.124 20.219 19.000 0.159 0.000 1.174 262 A HN 0.593 nan 8.150 nan 0.000 0.467 263 E N 0.751 121.258 120.200 0.512 0.000 2.367 263 E HA 0.175 4.526 4.350 0.001 0.000 0.273 263 E C -1.075 175.756 176.600 0.386 0.000 0.903 263 E CA -0.590 56.106 56.400 0.493 0.000 0.764 263 E CB 1.548 31.598 29.700 0.583 0.000 1.252 263 E HN 0.810 nan 8.360 nan 0.000 0.446 264 H N 2.528 121.721 119.070 0.206 0.000 3.220 264 H HA 0.252 4.809 4.556 0.001 0.000 0.225 264 H C -0.616 174.772 175.328 0.099 0.000 1.869 264 H CA 0.066 56.165 56.048 0.084 0.000 1.428 264 H CB -0.146 29.662 29.762 0.076 0.000 1.792 264 H HN 0.180 nan 8.280 nan 0.000 0.595 265 M N 3.601 123.286 119.600 0.141 0.000 2.395 265 M HA 0.164 4.644 4.480 0.001 0.000 0.307 265 M C -0.728 175.576 176.300 0.007 0.000 1.091 265 M CA -1.376 53.937 55.300 0.021 0.000 0.919 265 M CB 2.504 35.166 32.600 0.104 0.000 1.662 265 M HN 0.253 nan 8.290 nan 0.000 0.440 266 L N 1.683 122.858 121.223 -0.080 0.000 2.473 266 L HA 0.633 4.974 4.340 0.001 0.000 0.268 266 L C -0.982 175.904 176.870 0.027 0.000 1.215 266 L CA 0.306 55.131 54.840 -0.026 0.000 0.823 266 L CB 0.111 42.122 42.059 -0.079 0.000 1.099 266 L HN 0.587 nan 8.230 nan 0.000 0.483 267 I N 2.679 123.298 120.570 0.082 0.000 2.499 267 I HA 0.512 4.683 4.170 0.001 0.000 0.288 267 I C -0.900 175.319 176.117 0.170 0.000 1.048 267 I CA -0.615 60.765 61.300 0.134 0.000 1.062 267 I CB 1.782 39.873 38.000 0.152 0.000 1.238 267 I HN 0.725 nan 8.210 nan 0.000 0.426 268 L N 3.595 124.927 121.223 0.181 0.000 2.350 268 L HA 1.071 5.412 4.340 0.001 0.000 0.260 268 L C -0.239 176.698 176.870 0.111 0.000 1.015 268 L CA -0.513 54.419 54.840 0.153 0.000 0.821 268 L CB 1.594 43.701 42.059 0.079 0.000 1.370 268 L HN 0.491 nan 8.230 nan 0.000 0.416 269 G N 0.887 109.634 108.800 -0.089 0.000 2.415 269 G HA2 0.708 4.669 3.960 0.001 0.000 0.327 269 G HA3 0.708 4.669 3.960 0.001 0.000 0.327 269 G C -1.450 173.336 174.900 -0.189 0.000 1.182 269 G CA -0.585 44.178 45.100 -0.562 0.000 0.924 269 G HN 0.926 nan 8.290 nan 0.000 0.470 270 I N 1.082 121.596 120.570 -0.095 0.000 2.533 270 I HA 0.564 4.735 4.170 0.001 0.000 0.290 270 I C -0.680 175.554 176.117 0.195 0.000 1.056 270 I CA -0.481 60.898 61.300 0.131 0.000 1.057 270 I CB 2.248 40.417 38.000 0.282 0.000 1.240 270 I HN 0.403 nan 8.210 nan 0.000 0.423 271 T N 6.334 120.946 114.554 0.097 0.000 2.792 271 T HA 0.367 4.717 4.350 0.001 0.000 0.280 271 T C -0.299 174.179 174.700 -0.370 0.000 0.990 271 T CA -0.657 61.411 62.100 -0.052 0.000 0.960 271 T CB 0.996 69.824 68.868 -0.068 0.000 0.939 271 T HN 0.738 nan 8.240 nan 0.000 0.439 272 N N 3.272 121.501 118.700 -0.786 0.000 2.448 272 N HA 0.368 5.108 4.740 0.001 0.000 0.274 272 N C -2.343 172.546 175.510 -1.034 0.000 1.239 272 N CA -2.234 49.837 53.050 -1.632 0.000 0.982 272 N CB -0.030 37.285 38.487 -1.953 0.000 1.199 272 N HN 0.085 nan 8.380 nan 0.000 0.576 273 P HA 0.009 nan 4.420 nan 0.000 0.230 273 P C 0.122 177.214 177.300 -0.346 0.000 1.158 273 P CA 1.052 63.822 63.100 -0.550 0.000 0.769 273 P CB 0.204 31.651 31.700 -0.422 0.000 0.807 274 E N -1.270 118.716 120.200 -0.357 0.000 2.463 274 E HA 0.193 4.543 4.350 0.001 0.000 0.193 274 E C 1.382 177.887 176.600 -0.157 0.000 1.041 274 E CA 0.342 56.620 56.400 -0.203 0.000 0.879 274 E CB -0.511 29.095 29.700 -0.157 0.000 0.997 274 E HN 0.169 nan 8.360 nan 0.000 0.478 275 G N 2.027 110.709 108.800 -0.196 0.000 2.148 275 G HA2 -0.254 3.706 3.960 0.001 0.000 0.254 275 G HA3 -0.254 3.706 3.960 0.001 0.000 0.254 275 G C 0.135 174.997 174.900 -0.063 0.000 0.981 275 G CA 0.144 45.172 45.100 -0.121 0.000 0.670 275 G HN 0.086 nan 8.290 nan 0.000 0.528 276 K N 0.278 120.647 120.400 -0.050 0.000 2.143 276 K HA 0.598 4.918 4.320 0.001 0.000 0.272 276 K C -0.003 176.718 176.600 0.202 0.000 1.001 276 K CA -0.597 55.753 56.287 0.105 0.000 0.915 276 K CB 2.168 34.808 32.500 0.234 0.000 1.047 276 K HN 0.358 nan 8.250 nan 0.000 0.458 277 K N 2.219 122.730 120.400 0.185 0.000 2.324 277 K HA 0.336 4.657 4.320 0.001 0.000 0.253 277 K C -1.100 175.549 176.600 0.080 0.000 0.932 277 K CA -0.565 55.807 56.287 0.141 0.000 0.799 277 K CB 1.192 33.707 32.500 0.026 0.000 1.154 277 K HN 0.451 nan 8.250 nan 0.000 0.425 278 K N 2.569 122.982 120.400 0.023 0.000 2.435 278 K HA 0.316 4.636 4.320 0.001 0.000 0.251 278 K C -1.479 175.031 176.600 -0.151 0.000 0.954 278 K CA -0.867 55.376 56.287 -0.073 0.000 0.820 278 K CB 1.682 34.015 32.500 -0.278 0.000 1.292 278 K HN 0.369 nan 8.250 nan 0.000 0.436 279 Y N 1.486 121.810 120.300 0.039 0.000 2.342 279 Y HA 0.416 4.967 4.550 0.001 0.000 0.334 279 Y C -0.069 175.861 175.900 0.050 0.000 1.067 279 Y CA -0.739 57.395 58.100 0.058 0.000 1.128 279 Y CB 1.018 39.509 38.460 0.052 0.000 1.200 279 Y HN 0.156 nan 8.280 nan 0.000 0.464 280 L N 3.009 124.341 121.223 0.181 0.000 2.342 280 L HA 0.895 5.236 4.340 0.001 0.000 0.271 280 L C -0.390 176.549 176.870 0.115 0.000 1.008 280 L CA -1.172 53.746 54.840 0.129 0.000 0.818 280 L CB 1.917 44.033 42.059 0.094 0.000 1.296 280 L HN 0.669 nan 8.230 nan 0.000 0.427 281 A N 1.756 124.621 122.820 0.076 0.000 2.340 281 A HA 0.959 5.280 4.320 0.001 0.000 0.331 281 A C -0.806 176.728 177.584 -0.084 0.000 1.140 281 A CA -0.445 51.610 52.037 0.030 0.000 0.801 281 A CB 1.723 20.769 19.000 0.078 0.000 1.234 281 A HN 0.797 nan 8.150 nan 0.000 0.469 282 A N 0.356 123.062 122.820 -0.190 0.000 2.455 282 A HA 0.777 5.098 4.320 0.001 0.000 0.300 282 A C -0.439 176.831 177.584 -0.524 0.000 1.040 282 A CA 0.132 51.904 52.037 -0.441 0.000 0.697 282 A CB 1.315 19.920 19.000 -0.659 0.000 1.265 282 A HN 2.300 nan 8.150 nan 0.000 0.407 283 A N 2.107 124.660 122.820 -0.446 0.000 2.277 283 A HA 0.785 5.106 4.320 0.001 0.000 0.318 283 A C -1.195 176.308 177.584 -0.136 0.000 1.339 283 A CA -0.241 51.668 52.037 -0.213 0.000 0.875 283 A CB -0.171 18.931 19.000 0.170 0.000 1.158 283 A HN 0.688 nan 8.150 nan 0.000 0.514 284 F N 1.859 121.737 119.950 -0.120 0.000 2.561 284 F HA 0.649 5.177 4.527 0.001 0.000 0.321 284 F C -2.381 173.343 175.800 -0.127 0.000 1.065 284 F CA -2.911 55.022 58.000 -0.111 0.000 0.934 284 F CB 1.237 40.176 39.000 -0.100 0.000 1.215 284 F HN 0.262 nan 8.300 nan 0.000 0.471 285 P HA 0.136 nan 4.420 nan 0.000 0.273 285 P C -0.505 176.893 177.300 0.164 0.000 1.250 285 P CA -0.493 62.708 63.100 0.168 0.000 0.793 285 P CB 0.414 32.162 31.700 0.080 0.000 1.011 286 S N 0.419 116.262 115.700 0.239 0.000 2.568 286 S HA 0.334 4.804 4.470 0.001 0.000 0.282 286 S C 0.842 175.487 174.600 0.075 0.000 1.338 286 S CA 0.123 58.433 58.200 0.183 0.000 1.045 286 S CB -0.681 62.649 63.200 0.216 0.000 0.873 286 S HN 0.799 nan 8.310 nan 0.000 0.516 287 A N 0.798 123.648 122.820 0.051 0.000 2.847 287 A HA -0.182 4.139 4.320 0.001 0.000 0.263 287 A C 0.995 178.556 177.584 -0.038 0.000 1.391 287 A CA 0.694 52.733 52.037 0.004 0.000 0.866 287 A CB -2.650 16.331 19.000 -0.033 0.000 1.057 287 A HN 1.304 nan 8.150 nan 0.000 0.673 288 C N -1.418 117.891 119.300 0.014 0.000 3.125 288 C HA 0.599 5.059 4.460 0.001 0.000 0.284 288 C C 1.896 177.004 174.990 0.197 0.000 1.386 288 C CA 0.204 59.198 59.018 -0.041 0.000 1.763 288 C CB -0.492 27.149 27.740 -0.165 0.000 2.377 288 C HN 2.361 nan 8.230 nan 0.000 0.620 289 G N 1.419 110.385 108.800 0.277 0.000 2.143 289 G HA2 -0.187 3.774 3.960 0.001 0.000 0.175 289 G HA3 -0.187 3.774 3.960 0.001 0.000 0.175 289 G C 0.807 175.969 174.900 0.437 0.000 1.004 289 G CA 0.210 45.520 45.100 0.350 0.000 0.671 289 G HN 0.457 nan 8.290 nan 0.000 0.512 290 K N -0.285 120.354 120.400 0.398 0.000 1.991 290 K HA -0.079 4.242 4.320 0.001 0.000 0.212 290 K C 2.633 179.296 176.600 0.105 0.000 1.049 290 K CA 2.009 58.419 56.287 0.206 0.000 0.932 290 K CB -0.326 32.183 32.500 0.015 0.000 0.717 290 K HN 0.313 nan 8.250 nan 0.000 0.441 291 T N 1.375 115.968 114.554 0.065 0.000 2.720 291 T HA -0.180 4.171 4.350 0.001 0.000 0.268 291 T C 1.647 176.353 174.700 0.010 0.000 1.037 291 T CA 1.242 63.334 62.100 -0.013 0.000 1.144 291 T CB -0.382 68.474 68.868 -0.021 0.000 0.864 291 T HN 0.307 nan 8.240 nan 0.000 0.444 292 N N 0.873 119.629 118.700 0.093 0.000 2.036 292 N HA -0.133 4.608 4.740 0.001 0.000 0.195 292 N C 1.969 177.534 175.510 0.091 0.000 1.037 292 N CA 1.381 54.500 53.050 0.114 0.000 0.855 292 N CB -0.289 38.307 38.487 0.183 0.000 1.033 292 N HN 0.225 nan 8.380 nan 0.000 0.423 293 L N 1.423 122.735 121.223 0.148 0.000 2.056 293 L HA -0.008 4.333 4.340 0.001 0.000 0.207 293 L C 2.343 179.256 176.870 0.071 0.000 1.078 293 L CA 1.815 56.742 54.840 0.146 0.000 0.749 293 L CB -0.932 41.321 42.059 0.323 0.000 0.901 293 L HN 0.183 nan 8.230 nan 0.000 0.433 294 A N -0.039 122.801 122.820 0.034 0.000 2.019 294 A HA -0.141 4.179 4.320 0.001 0.000 0.219 294 A C 1.864 179.423 177.584 -0.042 0.000 1.164 294 A CA 1.890 53.921 52.037 -0.010 0.000 0.644 294 A CB -0.643 18.326 19.000 -0.051 0.000 0.805 294 A HN 0.653 nan 8.150 nan 0.000 0.449 295 M N -1.170 118.389 119.600 -0.067 0.000 2.705 295 M HA 0.431 4.911 4.480 0.001 0.000 0.387 295 M C 0.215 176.493 176.300 -0.037 0.000 1.204 295 M CA -0.499 54.755 55.300 -0.078 0.000 0.905 295 M CB -0.321 32.178 32.600 -0.168 0.000 1.394 295 M HN 0.346 nan 8.290 nan 0.000 0.515 296 M N 0.656 120.251 119.600 -0.008 0.000 2.245 296 M HA 0.255 4.736 4.480 0.001 0.000 0.312 296 M C -0.509 175.787 176.300 -0.007 0.000 1.070 296 M CA 0.748 56.046 55.300 -0.003 0.000 1.162 296 M CB 0.242 32.839 32.600 -0.005 0.000 1.448 296 M HN 0.264 nan 8.290 nan 0.000 0.446 297 N N 2.750 121.441 118.700 -0.014 0.000 2.546 297 N HA 0.536 5.276 4.740 0.001 0.000 0.238 297 N C -2.725 172.774 175.510 -0.018 0.000 0.984 297 N CA -1.844 51.198 53.050 -0.014 0.000 0.935 297 N CB 0.798 39.269 38.487 -0.025 0.000 1.122 297 N HN 0.423 nan 8.380 nan 0.000 0.510 298 P HA 0.095 nan 4.420 nan 0.000 0.268 298 P C 0.677 177.964 177.300 -0.021 0.000 1.205 298 P CA -0.185 62.904 63.100 -0.018 0.000 0.771 298 P CB 0.644 32.368 31.700 0.040 0.000 0.858 299 T N -0.191 114.329 114.554 -0.058 0.000 3.067 299 T HA 0.074 4.424 4.350 0.001 0.000 0.261 299 T C 0.803 175.488 174.700 -0.024 0.000 1.110 299 T CA 0.287 62.356 62.100 -0.052 0.000 1.113 299 T CB -0.437 68.377 68.868 -0.089 0.000 0.917 299 T HN 0.182 nan 8.240 nan 0.000 0.499 300 L N 3.639 124.846 121.223 -0.028 0.000 2.360 300 L HA 0.342 4.683 4.340 0.001 0.000 0.276 300 L C -2.047 174.939 176.870 0.193 0.000 1.121 300 L CA -2.288 52.576 54.840 0.040 0.000 0.845 300 L CB 0.318 42.312 42.059 -0.109 0.000 1.143 300 L HN 0.068 nan 8.230 nan 0.000 0.452 301 P HA 0.043 nan 4.420 nan 0.000 0.268 301 P C 0.747 178.138 177.300 0.152 0.000 1.204 301 P CA 0.416 63.589 63.100 0.122 0.000 0.768 301 P CB 1.087 32.827 31.700 0.067 0.000 0.842 302 G N 0.955 109.791 108.800 0.059 0.000 2.176 302 G HA2 -0.210 3.750 3.960 0.001 0.000 0.253 302 G HA3 -0.210 3.750 3.960 0.001 0.000 0.253 302 G C -0.578 174.194 174.900 -0.214 0.000 0.979 302 G CA -0.462 44.590 45.100 -0.081 0.000 0.641 302 G HN 0.429 nan 8.290 nan 0.000 0.530 303 W N 0.459 121.721 121.300 -0.063 0.000 2.551 303 W HA 0.747 5.407 4.660 0.001 0.000 0.330 303 W C 0.418 176.907 176.519 -0.050 0.000 1.063 303 W CA -0.833 56.469 57.345 -0.072 0.000 1.222 303 W CB 1.391 30.810 29.460 -0.069 0.000 1.349 303 W HN 0.107 nan 8.180 nan 0.000 0.536 304 K N 1.873 122.367 120.400 0.157 0.000 2.482 304 K HA 0.658 4.979 4.320 0.001 0.000 0.251 304 K C -1.747 174.917 176.600 0.106 0.000 0.936 304 K CA -0.614 55.732 56.287 0.098 0.000 0.791 304 K CB 1.822 34.342 32.500 0.033 0.000 1.213 304 K HN 0.335 nan 8.250 nan 0.000 0.428 305 V N 3.861 123.823 119.914 0.081 0.000 2.483 305 V HA 0.421 4.542 4.120 0.001 0.000 0.295 305 V C -0.718 175.396 176.094 0.034 0.000 1.035 305 V CA -0.544 61.792 62.300 0.060 0.000 0.896 305 V CB 1.615 33.472 31.823 0.055 0.000 0.986 305 V HN 0.893 nan 8.190 nan 0.000 0.447 306 E N 2.533 122.749 120.200 0.027 0.000 2.367 306 E HA 0.533 4.883 4.350 0.001 0.000 0.273 306 E C -1.459 175.179 176.600 0.063 0.000 0.903 306 E CA -0.749 55.674 56.400 0.038 0.000 0.764 306 E CB 2.225 31.955 29.700 0.051 0.000 1.252 306 E HN 0.556 nan 8.360 nan 0.000 0.446 307 C N 2.167 121.507 119.300 0.066 0.000 2.281 307 C HA 0.402 4.863 4.460 0.001 0.000 0.325 307 C C 1.194 176.275 174.990 0.151 0.000 1.282 307 C CA -0.284 58.781 59.018 0.078 0.000 1.640 307 C CB 0.013 27.760 27.740 0.011 0.000 2.288 307 C HN 0.727 nan 8.230 nan 0.000 0.507 308 V N 5.175 125.220 119.914 0.218 0.000 2.492 308 V HA 0.409 4.530 4.120 0.001 0.000 0.241 308 V C 1.406 177.668 176.094 0.280 0.000 1.041 308 V CA 1.396 63.872 62.300 0.294 0.000 1.057 308 V CB -0.333 31.667 31.823 0.294 0.000 0.711 308 V HN 1.062 nan 8.190 nan 0.000 0.468 309 G N -0.044 108.895 108.800 0.233 0.000 2.623 309 G HA2 0.456 4.416 3.960 0.001 0.000 0.290 309 G HA3 0.456 4.416 3.960 0.001 0.000 0.290 309 G C -1.065 173.946 174.900 0.184 0.000 1.437 309 G CA 0.413 45.673 45.100 0.267 0.000 0.798 309 G HN 0.139 nan 8.290 nan 0.000 0.488 310 D N -1.560 118.964 120.400 0.206 0.000 2.469 310 D HA 0.219 4.860 4.640 0.001 0.000 0.215 310 D C 0.405 176.746 176.300 0.067 0.000 1.154 310 D CA 0.244 54.288 54.000 0.072 0.000 0.832 310 D CB 1.381 42.157 40.800 -0.041 0.000 1.008 310 D HN 0.355 nan 8.370 nan 0.000 0.506 311 D N -0.682 119.776 120.400 0.097 0.000 2.001 311 D HA 0.268 4.909 4.640 0.001 0.000 0.337 311 D C -0.437 175.952 176.300 0.148 0.000 1.148 311 D CA 0.152 54.222 54.000 0.117 0.000 1.057 311 D CB 0.937 41.825 40.800 0.146 0.000 1.884 311 D HN 0.077 nan 8.370 nan 0.000 0.529 312 I N 1.126 121.755 120.570 0.097 0.000 2.647 312 I HA 0.720 4.891 4.170 0.001 0.000 0.295 312 I C -1.110 175.056 176.117 0.082 0.000 1.078 312 I CA -1.136 60.223 61.300 0.097 0.000 1.048 312 I CB 2.325 40.336 38.000 0.019 0.000 1.239 312 I HN 0.055 nan 8.210 nan 0.000 0.421 313 A N 5.124 128.057 122.820 0.188 0.000 2.374 313 A HA 0.755 5.075 4.320 0.001 0.000 0.305 313 A C -1.963 175.898 177.584 0.461 0.000 1.053 313 A CA -0.387 51.779 52.037 0.215 0.000 0.726 313 A CB 0.984 20.111 19.000 0.211 0.000 1.229 313 A HN 0.588 nan 8.150 nan 0.000 0.431 314 W N 2.005 123.410 121.300 0.175 0.000 2.429 314 W HA 0.733 5.394 4.660 0.001 0.000 0.314 314 W C -0.233 176.375 176.519 0.149 0.000 1.062 314 W CA -1.089 56.410 57.345 0.256 0.000 1.211 314 W CB 1.109 30.692 29.460 0.204 0.000 1.305 314 W HN 0.542 nan 8.180 nan 0.000 0.476 315 M N 2.865 122.709 119.600 0.407 0.000 2.501 315 M HA 0.507 4.988 4.480 0.001 0.000 0.293 315 M C -0.719 175.646 176.300 0.108 0.000 1.192 315 M CA -0.977 54.413 55.300 0.150 0.000 0.886 315 M CB 3.380 36.010 32.600 0.051 0.000 1.710 315 M HN 0.264 nan 8.290 nan 0.000 0.457 316 K N 1.617 121.985 120.400 -0.054 0.000 2.561 316 K HA 0.516 4.836 4.320 0.001 0.000 0.254 316 K C -1.801 174.718 176.600 -0.135 0.000 0.942 316 K CA -0.479 55.791 56.287 -0.030 0.000 0.818 316 K CB 1.683 34.184 32.500 0.001 0.000 1.306 316 K HN 0.472 nan 8.250 nan 0.000 0.435 317 F N 3.078 123.022 119.950 -0.010 0.000 2.563 317 F HA 0.042 4.570 4.527 0.001 0.000 0.363 317 F C 1.255 177.037 175.800 -0.031 0.000 1.123 317 F CA 0.520 58.497 58.000 -0.038 0.000 1.307 317 F CB 0.395 39.354 39.000 -0.069 0.000 1.115 317 F HN 0.631 nan 8.300 nan 0.000 0.592 318 D N 1.519 121.998 120.400 0.132 0.000 2.539 318 D HA 0.427 5.067 4.640 0.001 0.000 0.276 318 D C 0.911 177.247 176.300 0.059 0.000 1.206 318 D CA -0.315 53.722 54.000 0.061 0.000 1.081 318 D CB 0.126 40.938 40.800 0.019 0.000 1.142 318 D HN 0.433 nan 8.370 nan 0.000 0.595 319 A N -0.975 121.861 122.820 0.026 0.000 2.019 319 A HA -0.176 4.144 4.320 0.001 0.000 0.219 319 A C 1.797 179.388 177.584 0.011 0.000 1.164 319 A CA 1.223 53.268 52.037 0.013 0.000 0.644 319 A CB -0.636 18.366 19.000 0.002 0.000 0.805 319 A HN 0.474 nan 8.150 nan 0.000 0.449 320 Q N -1.573 118.238 119.800 0.019 0.000 2.425 320 Q HA 0.179 4.520 4.340 0.001 0.000 0.204 320 Q C 1.261 177.277 176.000 0.026 0.000 0.933 320 Q CA 0.850 56.662 55.803 0.015 0.000 0.939 320 Q CB -0.058 28.689 28.738 0.014 0.000 1.044 320 Q HN 1.047 nan 8.270 nan 0.000 0.513 321 G N 1.503 110.338 108.800 0.059 0.000 2.157 321 G HA2 -0.197 3.764 3.960 0.001 0.000 0.239 321 G HA3 -0.197 3.764 3.960 0.001 0.000 0.239 321 G C -0.064 174.973 174.900 0.228 0.000 0.982 321 G CA -0.188 44.967 45.100 0.092 0.000 0.650 321 G HN 0.272 nan 8.290 nan 0.000 0.527 322 N N 0.264 119.057 118.700 0.155 0.000 2.514 322 N HA 0.376 5.117 4.740 0.001 0.000 0.277 322 N C -0.044 175.491 175.510 0.042 0.000 1.126 322 N CA -0.331 52.784 53.050 0.108 0.000 0.978 322 N CB 1.739 40.246 38.487 0.034 0.000 1.106 322 N HN 0.258 nan 8.380 nan 0.000 0.461 323 L N 3.604 124.750 121.223 -0.129 0.000 2.342 323 L HA 0.173 4.514 4.340 0.001 0.000 0.285 323 L C 0.186 176.904 176.870 -0.254 0.000 1.095 323 L CA 0.028 54.552 54.840 -0.526 0.000 0.843 323 L CB -0.228 41.405 42.059 -0.710 0.000 1.201 323 L HN 0.273 nan 8.230 nan 0.000 0.445 324 R N 4.579 124.956 120.500 -0.205 0.000 2.368 324 R HA 0.771 5.111 4.340 0.001 0.000 0.302 324 R C -0.655 175.589 176.300 -0.094 0.000 1.002 324 R CA -0.511 55.513 56.100 -0.127 0.000 0.929 324 R CB 1.456 31.697 30.300 -0.099 0.000 1.073 324 R HN 0.732 nan 8.270 nan 0.000 0.464 325 A N 3.810 126.586 122.820 -0.073 0.000 2.365 325 A HA 0.734 5.054 4.320 0.001 0.000 0.318 325 A C -0.341 177.231 177.584 -0.020 0.000 1.091 325 A CA -0.871 51.161 52.037 -0.008 0.000 0.763 325 A CB 1.039 20.052 19.000 0.022 0.000 1.248 325 A HN 0.801 nan 8.150 nan 0.000 0.442 326 I N -0.813 119.772 120.570 0.024 0.000 2.828 326 I HA 0.589 4.760 4.170 0.001 0.000 0.302 326 I C -0.578 175.523 176.117 -0.028 0.000 1.101 326 I CA -1.002 60.287 61.300 -0.018 0.000 1.031 326 I CB 2.208 40.175 38.000 -0.055 0.000 1.231 326 I HN 0.464 nan 8.210 nan 0.000 0.427 327 N N 5.555 124.241 118.700 -0.023 0.000 2.411 327 N HA 0.377 5.117 4.740 0.001 0.000 0.259 327 N C -1.807 173.574 175.510 -0.215 0.000 1.103 327 N CA -2.484 50.537 53.050 -0.047 0.000 0.954 327 N CB 1.088 39.645 38.487 0.117 0.000 1.085 327 N HN 0.465 nan 8.380 nan 0.000 0.485 328 P HA -0.000 nan 4.420 nan 0.000 0.231 328 P C -0.445 176.602 177.300 -0.421 0.000 1.168 328 P CA 0.777 63.437 63.100 -0.735 0.000 0.779 328 P CB 0.473 31.237 31.700 -1.560 0.000 0.844 329 E N -0.018 120.035 120.200 -0.245 0.000 2.314 329 E HA 0.142 4.493 4.350 0.001 0.000 0.262 329 E C 0.303 176.885 176.600 -0.030 0.000 1.093 329 E CA -0.392 55.923 56.400 -0.141 0.000 0.908 329 E CB 0.345 29.984 29.700 -0.102 0.000 1.091 329 E HN -0.131 nan 8.360 nan 0.000 0.425 330 N N -0.570 118.105 118.700 -0.042 0.000 2.187 330 N HA 0.168 4.909 4.740 0.001 0.000 0.212 330 N C -0.740 174.698 175.510 -0.121 0.000 1.152 330 N CA 0.014 53.089 53.050 0.042 0.000 0.872 330 N CB 1.104 39.589 38.487 -0.004 0.000 1.025 330 N HN 0.518 nan 8.380 nan 0.000 0.514 331 G N -1.016 107.622 108.800 -0.270 0.000 2.600 331 G HA2 0.479 4.440 3.960 0.001 0.000 0.293 331 G HA3 0.479 4.440 3.960 0.001 0.000 0.293 331 G C -1.847 172.772 174.900 -0.468 0.000 1.408 331 G CA -0.653 44.174 45.100 -0.455 0.000 0.782 331 G HN -0.010 nan 8.290 nan 0.000 0.482 332 F N -0.092 119.886 119.950 0.048 0.000 2.482 332 F HA 0.583 5.111 4.527 0.001 0.000 0.331 332 F C -0.525 175.326 175.800 0.085 0.000 1.115 332 F CA -1.369 56.682 58.000 0.086 0.000 0.955 332 F CB 2.107 41.206 39.000 0.165 0.000 1.136 332 F HN 0.282 nan 8.300 nan 0.000 0.452 333 F N 3.029 122.974 119.950 -0.008 0.000 2.387 333 F HA 0.661 5.188 4.527 0.001 0.000 0.332 333 F C 0.400 175.969 175.800 -0.385 0.000 1.174 333 F CA -1.054 56.825 58.000 -0.201 0.000 1.257 333 F CB -0.083 38.839 39.000 -0.130 0.000 1.569 333 F HN 0.492 nan 8.300 nan 0.000 0.554 334 G N 2.065 110.214 108.800 -1.085 0.000 2.400 334 G HA2 0.451 4.412 3.960 0.001 0.000 0.301 334 G HA3 0.451 4.412 3.960 0.001 0.000 0.301 334 G C -0.876 173.294 174.900 -1.217 0.000 1.154 334 G CA -0.628 43.763 45.100 -1.182 0.000 0.852 334 G HN 0.208 nan 8.290 nan 0.000 0.511 335 V N 1.710 121.246 119.914 -0.630 0.000 2.529 335 V HA 0.227 4.348 4.120 0.001 0.000 0.292 335 V C 1.450 177.286 176.094 -0.430 0.000 1.028 335 V CA 0.733 62.761 62.300 -0.454 0.000 1.074 335 V CB 0.768 32.449 31.823 -0.236 0.000 0.958 335 V HN 0.986 nan 8.190 nan 0.000 0.481 336 A N 7.834 130.359 122.820 -0.491 0.000 1.861 336 A HA 0.205 4.525 4.320 0.001 0.000 0.212 336 A C -1.372 175.553 177.584 -1.099 0.000 1.199 336 A CA 0.521 52.097 52.037 -0.768 0.000 0.613 336 A CB -1.054 17.436 19.000 -0.850 0.000 0.846 336 A HN 0.721 nan 8.150 nan 0.000 0.446 337 P HA 0.271 nan 4.420 nan 0.000 0.266 337 P C 0.832 178.034 177.300 -0.162 0.000 1.195 337 P CA 1.817 64.684 63.100 -0.389 0.000 0.768 337 P CB 0.496 32.108 31.700 -0.147 0.000 0.838 338 G N 1.481 110.322 108.800 0.068 0.000 2.217 338 G HA2 -0.224 3.737 3.960 0.001 0.000 0.246 338 G HA3 -0.224 3.737 3.960 0.001 0.000 0.246 338 G C 0.194 175.169 174.900 0.125 0.000 0.990 338 G CA 0.122 45.285 45.100 0.105 0.000 0.627 338 G HN 0.596 nan 8.290 nan 0.000 0.522 339 T N 2.397 117.039 114.554 0.147 0.000 2.743 339 T HA 0.546 4.897 4.350 0.001 0.000 0.290 339 T C 0.474 175.372 174.700 0.330 0.000 0.908 339 T CA 0.703 62.928 62.100 0.209 0.000 1.092 339 T CB 1.058 70.020 68.868 0.158 0.000 0.882 339 T HN 1.107 nan 8.240 nan 0.000 0.531 340 S N 1.721 117.485 115.700 0.107 0.000 2.667 340 S HA 0.486 4.957 4.470 0.001 0.000 0.292 340 S C 1.292 175.870 174.600 -0.037 0.000 1.126 340 S CA -1.031 57.183 58.200 0.023 0.000 0.881 340 S CB 1.143 64.317 63.200 -0.043 0.000 1.132 340 S HN 0.213 nan 8.310 nan 0.000 0.492 341 V N 1.395 121.276 119.914 -0.054 0.000 2.453 341 V HA -0.193 3.928 4.120 0.001 0.000 0.252 341 V C 2.654 178.689 176.094 -0.099 0.000 1.068 341 V CA 2.254 64.515 62.300 -0.066 0.000 1.070 341 V CB -0.994 30.793 31.823 -0.061 0.000 0.664 341 V HN 0.958 nan 8.190 nan 0.000 0.461 342 K N 0.399 120.719 120.400 -0.133 0.000 2.001 342 K HA -0.186 4.134 4.320 0.001 0.000 0.208 342 K C 2.342 178.757 176.600 -0.308 0.000 1.048 342 K CA 2.107 58.275 56.287 -0.199 0.000 0.932 342 K CB -0.220 32.153 32.500 -0.211 0.000 0.715 342 K HN 0.687 nan 8.250 nan 0.000 0.437 343 T N -2.166 112.166 114.554 -0.371 0.000 3.010 343 T HA 0.017 4.368 4.350 0.001 0.000 0.252 343 T C 0.927 175.518 174.700 -0.183 0.000 1.047 343 T CA 0.338 62.094 62.100 -0.574 0.000 1.140 343 T CB 0.134 68.586 68.868 -0.693 0.000 0.885 343 T HN 0.002 nan 8.240 nan 0.000 0.464 344 N N 1.741 120.384 118.700 -0.095 0.000 2.726 344 N HA 0.313 5.054 4.740 0.001 0.000 0.253 344 N C -2.407 173.075 175.510 -0.046 0.000 1.530 344 N CA -1.958 51.072 53.050 -0.033 0.000 0.772 344 N CB 1.718 40.215 38.487 0.016 0.000 1.220 344 N HN 0.061 nan 8.380 nan 0.000 0.508 345 P HA -0.072 nan 4.420 nan 0.000 0.218 345 P C 0.791 178.058 177.300 -0.056 0.000 1.149 345 P CA 0.965 64.032 63.100 -0.054 0.000 0.817 345 P CB 0.613 32.281 31.700 -0.053 0.000 0.785 346 N N 0.168 118.833 118.700 -0.059 0.000 2.244 346 N HA -0.079 4.662 4.740 0.001 0.000 0.183 346 N C 1.890 177.341 175.510 -0.099 0.000 1.016 346 N CA 1.387 54.397 53.050 -0.068 0.000 0.866 346 N CB -0.658 37.790 38.487 -0.065 0.000 0.980 346 N HN 0.121 nan 8.380 nan 0.000 0.430 347 A N 1.838 124.585 122.820 -0.122 0.000 1.855 347 A HA -0.064 4.256 4.320 0.001 0.000 0.215 347 A C 2.150 179.600 177.584 -0.225 0.000 1.191 347 A CA 0.758 52.671 52.037 -0.207 0.000 0.613 347 A CB -0.469 18.420 19.000 -0.186 0.000 0.829 347 A HN 0.074 nan 8.150 nan 0.000 0.442 348 I N 0.030 120.524 120.570 -0.126 0.000 2.145 348 I HA -0.285 3.885 4.170 0.001 0.000 0.244 348 I C 2.251 178.311 176.117 -0.094 0.000 1.075 348 I CA 2.080 63.331 61.300 -0.081 0.000 1.332 348 I CB -1.216 36.761 38.000 -0.038 0.000 1.033 348 I HN 0.306 nan 8.210 nan 0.000 0.410 349 K N 0.081 120.434 120.400 -0.080 0.000 2.148 349 K HA -0.094 4.227 4.320 0.001 0.000 0.204 349 K C 2.006 178.564 176.600 -0.069 0.000 1.050 349 K CA 1.445 57.694 56.287 -0.063 0.000 0.942 349 K CB -0.328 32.147 32.500 -0.042 0.000 0.724 349 K HN 0.307 nan 8.250 nan 0.000 0.446 350 T N 1.392 115.891 114.554 -0.092 0.000 2.857 350 T HA -0.052 4.298 4.350 0.001 0.000 0.266 350 T C 1.658 176.294 174.700 -0.107 0.000 1.048 350 T CA 1.256 63.312 62.100 -0.073 0.000 1.139 350 T CB -0.218 68.634 68.868 -0.027 0.000 0.874 350 T HN 0.385 nan 8.240 nan 0.000 0.455 351 I N -0.579 119.878 120.570 -0.187 0.000 3.684 351 I HA 0.201 4.372 4.170 0.001 0.000 0.304 351 I C 1.727 177.794 176.117 -0.083 0.000 1.278 351 I CA 0.387 61.568 61.300 -0.198 0.000 1.272 351 I CB -0.455 37.335 38.000 -0.350 0.000 1.029 351 I HN 0.095 nan 8.210 nan 0.000 0.458 352 Q N 2.519 122.251 119.800 -0.112 0.000 2.451 352 Q HA 0.078 4.419 4.340 0.001 0.000 0.206 352 Q C 0.160 176.145 176.000 -0.025 0.000 0.947 352 Q CA 0.556 56.258 55.803 -0.169 0.000 0.937 352 Q CB 0.227 28.901 28.738 -0.107 0.000 1.025 352 Q HN 0.686 nan 8.270 nan 0.000 0.511 353 K N -0.889 119.524 120.400 0.022 0.000 2.508 353 K HA 0.277 4.598 4.320 0.001 0.000 0.260 353 K C -0.722 175.938 176.600 0.100 0.000 0.949 353 K CA -0.856 55.482 56.287 0.084 0.000 0.834 353 K CB 1.169 33.715 32.500 0.077 0.000 1.365 353 K HN -0.211 nan 8.250 nan 0.000 0.437 354 N N 0.267 119.066 118.700 0.166 0.000 2.721 354 N HA -0.133 4.608 4.740 0.001 0.000 0.249 354 N C -1.273 174.356 175.510 0.199 0.000 1.072 354 N CA 1.473 54.656 53.050 0.222 0.000 0.710 354 N CB -1.294 37.291 38.487 0.164 0.000 0.993 354 N HN 0.764 nan 8.380 nan 0.000 0.547 355 T N 0.858 115.528 114.554 0.193 0.000 2.824 355 T HA 0.599 4.950 4.350 0.001 0.000 0.282 355 T C 0.745 175.500 174.700 0.092 0.000 0.993 355 T CA -0.494 61.630 62.100 0.041 0.000 0.967 355 T CB 1.758 70.522 68.868 -0.173 0.000 0.960 355 T HN 0.062 nan 8.240 nan 0.000 0.441 356 I N 3.721 124.313 120.570 0.036 0.000 2.315 356 I HA 0.410 4.581 4.170 0.001 0.000 0.291 356 I C -0.659 175.459 176.117 0.001 0.000 1.006 356 I CA -0.547 60.838 61.300 0.143 0.000 1.265 356 I CB 0.637 38.700 38.000 0.105 0.000 1.387 356 I HN 0.488 nan 8.210 nan 0.000 0.475 357 F N 3.366 123.496 119.950 0.299 0.000 2.458 357 F HA 0.531 5.059 4.527 0.001 0.000 0.330 357 F C 0.421 176.380 175.800 0.266 0.000 1.082 357 F CA -0.454 57.707 58.000 0.269 0.000 0.995 357 F CB 2.040 41.218 39.000 0.296 0.000 1.170 357 F HN 0.245 nan 8.300 nan 0.000 0.478 358 T N 2.391 117.172 114.554 0.379 0.000 2.937 358 T HA 0.249 4.600 4.350 0.001 0.000 0.297 358 T C -0.525 174.295 174.700 0.200 0.000 0.991 358 T CA -0.887 61.375 62.100 0.270 0.000 0.990 358 T CB 0.958 69.946 68.868 0.200 0.000 0.991 358 T HN 0.615 nan 8.240 nan 0.000 0.440 359 N N 0.181 119.008 118.700 0.213 0.000 2.782 359 N HA -0.138 4.603 4.740 0.001 0.000 0.251 359 N C 0.107 175.744 175.510 0.210 0.000 1.101 359 N CA 1.174 54.357 53.050 0.221 0.000 0.764 359 N CB -1.724 36.776 38.487 0.021 0.000 1.122 359 N HN 0.715 nan 8.380 nan 0.000 0.561 360 V N -3.172 116.903 119.914 0.269 0.000 3.234 360 V HA 0.937 5.057 4.120 0.001 0.000 0.317 360 V C 0.902 177.152 176.094 0.261 0.000 1.081 360 V CA -0.485 61.988 62.300 0.288 0.000 1.037 360 V CB 1.719 33.803 31.823 0.434 0.000 1.148 360 V HN 0.263 nan 8.190 nan 0.000 0.453 361 A N 0.906 123.848 122.820 0.203 0.000 2.304 361 A HA 0.610 4.930 4.320 0.001 0.000 0.271 361 A C 0.030 177.672 177.584 0.095 0.000 1.091 361 A CA -0.425 51.685 52.037 0.122 0.000 0.812 361 A CB 0.495 19.510 19.000 0.026 0.000 1.056 361 A HN 1.038 nan 8.150 nan 0.000 0.489 362 E N 0.379 120.617 120.200 0.062 0.000 2.199 362 E HA 0.445 4.796 4.350 0.001 0.000 0.265 362 E C -0.347 176.246 176.600 -0.011 0.000 0.882 362 E CA -0.529 55.885 56.400 0.022 0.000 0.759 362 E CB 1.252 30.971 29.700 0.031 0.000 1.148 362 E HN 0.787 nan 8.360 nan 0.000 0.412 363 T N 0.656 115.180 114.554 -0.050 0.000 2.899 363 T HA 0.102 4.453 4.350 0.001 0.000 0.284 363 T C 1.303 175.955 174.700 -0.079 0.000 1.004 363 T CA -0.105 61.942 62.100 -0.089 0.000 1.043 363 T CB 1.453 70.248 68.868 -0.121 0.000 1.013 363 T HN 0.421 nan 8.240 nan 0.000 0.518 364 S N 0.262 115.917 115.700 -0.075 0.000 2.500 364 S HA -0.123 4.348 4.470 0.001 0.000 0.239 364 S C 1.160 175.714 174.600 -0.077 0.000 0.989 364 S CA 0.750 58.913 58.200 -0.062 0.000 0.951 364 S CB -0.556 62.612 63.200 -0.053 0.000 0.759 364 S HN 0.919 nan 8.310 nan 0.000 0.523 365 D N 0.406 120.745 120.400 -0.100 0.000 2.358 365 D HA 0.236 4.877 4.640 0.001 0.000 0.224 365 D C 1.173 177.372 176.300 -0.168 0.000 1.123 365 D CA 0.360 54.289 54.000 -0.119 0.000 0.833 365 D CB -0.519 40.212 40.800 -0.115 0.000 0.946 365 D HN 0.525 nan 8.370 nan 0.000 0.505 366 G N -0.587 108.117 108.800 -0.160 0.000 2.137 366 G HA2 -0.115 3.846 3.960 0.001 0.000 0.237 366 G HA3 -0.115 3.846 3.960 0.001 0.000 0.237 366 G C 0.493 175.202 174.900 -0.319 0.000 1.002 366 G CA -0.085 44.893 45.100 -0.204 0.000 0.702 366 G HN 0.794 nan 8.290 nan 0.000 0.515 367 G N -1.564 107.075 108.800 -0.268 0.000 2.705 367 G HA2 0.905 4.866 3.960 0.001 0.000 0.299 367 G HA3 0.905 4.866 3.960 0.001 0.000 0.299 367 G C 0.140 175.013 174.900 -0.045 0.000 1.315 367 G CA 0.104 45.057 45.100 -0.245 0.000 1.045 367 G HN 1.528 nan 8.290 nan 0.000 0.517 368 V N -2.649 117.278 119.914 0.021 0.000 2.732 368 V HA 0.817 4.938 4.120 0.001 0.000 0.310 368 V C -1.095 174.883 176.094 -0.192 0.000 1.053 368 V CA -1.126 61.080 62.300 -0.156 0.000 0.957 368 V CB 1.473 33.036 31.823 -0.432 0.000 1.018 368 V HN 0.652 nan 8.190 nan 0.000 0.452 369 Y N 3.071 123.175 120.300 -0.327 0.000 2.562 369 Y HA 0.827 5.377 4.550 0.001 0.000 0.345 369 Y C -1.088 174.685 175.900 -0.211 0.000 1.045 369 Y CA -0.953 56.888 58.100 -0.432 0.000 1.028 369 Y CB 2.266 40.575 38.460 -0.251 0.000 1.297 369 Y HN 1.086 nan 8.280 nan 0.000 0.463 370 W N 1.172 122.246 121.300 -0.375 0.000 3.066 370 W HA 0.620 5.280 4.660 0.001 0.000 0.330 370 W C -1.526 174.787 176.519 -0.344 0.000 1.253 370 W CA -1.141 56.039 57.345 -0.276 0.000 1.187 370 W CB 0.256 29.627 29.460 -0.149 0.000 1.434 370 W HN 0.335 nan 8.180 nan 0.000 0.572 371 E N 0.980 121.244 120.200 0.107 0.000 2.465 371 E HA 0.396 4.747 4.350 0.001 0.000 0.260 371 E C 1.125 177.815 176.600 0.150 0.000 0.980 371 E CA 2.367 58.813 56.400 0.076 0.000 0.927 371 E CB 0.333 30.075 29.700 0.070 0.000 0.934 371 E HN 1.135 nan 8.360 nan 0.000 0.459 372 G N 3.084 111.925 108.800 0.069 0.000 2.176 372 G HA2 -0.331 3.630 3.960 0.001 0.000 0.253 372 G HA3 -0.331 3.630 3.960 0.001 0.000 0.253 372 G C 0.909 175.840 174.900 0.051 0.000 0.979 372 G CA 0.232 45.381 45.100 0.081 0.000 0.641 372 G HN 0.611 nan 8.290 nan 0.000 0.530 373 I N 0.375 120.880 120.570 -0.108 0.000 2.493 373 I HA 0.035 4.206 4.170 0.001 0.000 0.254 373 I C 1.260 177.251 176.117 -0.210 0.000 1.160 373 I CA 1.582 62.704 61.300 -0.297 0.000 1.445 373 I CB -0.022 37.378 38.000 -0.999 0.000 1.086 373 I HN 0.236 nan 8.210 nan 0.000 0.433 374 D N 2.399 122.702 120.400 -0.161 0.000 2.697 374 D HA -0.267 4.373 4.640 0.001 0.000 0.238 374 D C -0.097 176.162 176.300 -0.069 0.000 1.152 374 D CA 0.971 54.924 54.000 -0.078 0.000 0.666 374 D CB -0.798 39.964 40.800 -0.063 0.000 1.037 374 D HN 0.675 nan 8.370 nan 0.000 0.423 375 E N 0.231 120.396 120.200 -0.058 0.000 2.502 375 E HA 0.406 4.756 4.350 0.001 0.000 0.261 375 E C -2.527 174.126 176.600 0.089 0.000 0.974 375 E CA -1.714 54.678 56.400 -0.014 0.000 0.795 375 E CB 1.011 30.670 29.700 -0.068 0.000 1.385 375 E HN -0.029 nan 8.360 nan 0.000 0.400 376 P HA -0.006 nan 4.420 nan 0.000 0.266 376 P C -0.823 176.508 177.300 0.052 0.000 1.193 376 P CA 0.304 63.445 63.100 0.068 0.000 0.770 376 P CB 0.497 32.215 31.700 0.028 0.000 0.836 377 L N 1.161 122.396 121.223 0.019 0.000 2.334 377 L HA 0.613 4.954 4.340 0.001 0.000 0.272 377 L C 0.649 177.498 176.870 -0.035 0.000 1.020 377 L CA -1.344 53.477 54.840 -0.032 0.000 0.812 377 L CB 1.347 43.336 42.059 -0.118 0.000 1.264 377 L HN 0.359 nan 8.230 nan 0.000 0.439 378 A N 2.865 125.660 122.820 -0.040 0.000 2.462 378 A HA 0.410 4.731 4.320 0.001 0.000 0.243 378 A C -2.193 175.365 177.584 -0.044 0.000 1.076 378 A CA -0.982 51.032 52.037 -0.037 0.000 0.773 378 A CB -0.634 18.344 19.000 -0.037 0.000 1.010 378 A HN 0.442 nan 8.150 nan 0.000 0.493 379 P HA 0.217 nan 4.420 nan 0.000 0.265 379 P C 0.921 178.196 177.300 -0.041 0.000 1.193 379 P CA 1.400 64.477 63.100 -0.038 0.000 0.765 379 P CB 0.806 32.487 31.700 -0.031 0.000 0.823 380 G N 1.404 110.177 108.800 -0.045 0.000 2.258 380 G HA2 -0.211 3.750 3.960 0.001 0.000 0.233 380 G HA3 -0.211 3.750 3.960 0.001 0.000 0.233 380 G C -0.046 174.822 174.900 -0.053 0.000 1.006 380 G CA -0.099 44.974 45.100 -0.044 0.000 0.620 380 G HN 0.559 nan 8.290 nan 0.000 0.511 381 V N 3.122 122.997 119.914 -0.065 0.000 2.488 381 V HA 0.571 4.692 4.120 0.001 0.000 0.277 381 V C 1.029 177.070 176.094 -0.089 0.000 1.046 381 V CA 0.632 62.883 62.300 -0.081 0.000 0.986 381 V CB 0.979 32.745 31.823 -0.096 0.000 0.989 381 V HN 0.797 nan 8.190 nan 0.000 0.475 382 T N 3.392 117.901 114.554 -0.074 0.000 2.949 382 T HA 0.822 5.173 4.350 0.001 0.000 0.287 382 T C -0.641 174.029 174.700 -0.050 0.000 1.034 382 T CA -0.779 61.288 62.100 -0.054 0.000 1.018 382 T CB 1.863 70.713 68.868 -0.029 0.000 1.135 382 T HN 0.301 nan 8.240 nan 0.000 0.532 383 I N 1.158 121.735 120.570 0.010 0.000 2.466 383 I HA 0.356 4.526 4.170 0.001 0.000 0.289 383 I C -0.198 175.995 176.117 0.126 0.000 1.026 383 I CA -0.807 60.524 61.300 0.051 0.000 1.078 383 I CB 2.411 40.486 38.000 0.125 0.000 1.249 383 I HN 0.667 nan 8.210 nan 0.000 0.429 384 T N 4.173 118.775 114.554 0.081 0.000 2.767 384 T HA 0.308 4.659 4.350 0.001 0.000 0.288 384 T C 0.344 175.097 174.700 0.089 0.000 0.963 384 T CA -0.624 61.530 62.100 0.090 0.000 1.019 384 T CB 1.148 70.048 68.868 0.052 0.000 0.923 384 T HN 0.741 nan 8.240 nan 0.000 0.468 385 S N 3.564 119.324 115.700 0.100 0.000 2.634 385 S HA 0.143 4.613 4.470 0.001 0.000 0.261 385 S C 1.497 176.147 174.600 0.082 0.000 1.271 385 S CA -0.967 57.261 58.200 0.045 0.000 0.985 385 S CB 0.333 63.558 63.200 0.042 0.000 0.968 385 S HN 0.928 nan 8.310 nan 0.000 0.568 386 W N 0.442 121.734 121.300 -0.014 0.000 2.538 386 W HA 0.076 4.737 4.660 0.001 0.000 0.254 386 W C 0.309 176.841 176.519 0.022 0.000 1.249 386 W CA 0.538 57.896 57.345 0.021 0.000 1.253 386 W CB -0.771 28.711 29.460 0.036 0.000 1.130 386 W HN 0.620 nan 8.180 nan 0.000 0.618 387 K N 1.032 121.018 120.400 -0.691 0.000 2.397 387 K HA -0.035 4.285 4.320 0.001 0.000 0.202 387 K C 0.374 176.807 176.600 -0.279 0.000 1.022 387 K CA 0.073 55.945 56.287 -0.692 0.000 1.141 387 K CB -0.378 31.687 32.500 -0.725 0.000 0.857 387 K HN -0.107 nan 8.250 nan 0.000 0.514 388 N N 1.694 120.308 118.700 -0.143 0.000 2.725 388 N HA -0.151 4.590 4.740 0.001 0.000 0.249 388 N C -1.324 174.170 175.510 -0.026 0.000 1.103 388 N CA 0.912 53.933 53.050 -0.048 0.000 0.707 388 N CB -0.421 38.043 38.487 -0.038 0.000 1.043 388 N HN 0.030 nan 8.380 nan 0.000 0.553 389 K N 0.539 120.931 120.400 -0.012 0.000 2.203 389 K HA 0.323 4.644 4.320 0.001 0.000 0.251 389 K C -0.088 176.565 176.600 0.087 0.000 0.944 389 K CA -0.763 55.540 56.287 0.026 0.000 0.829 389 K CB 1.324 33.837 32.500 0.021 0.000 1.125 389 K HN 0.227 nan 8.250 nan 0.000 0.430 390 E N 1.370 121.613 120.200 0.072 0.000 2.415 390 E HA -0.029 4.322 4.350 0.001 0.000 0.260 390 E C -1.195 175.494 176.600 0.149 0.000 1.016 390 E CA 0.298 56.751 56.400 0.088 0.000 0.924 390 E CB 0.288 30.009 29.700 0.035 0.000 0.961 390 E HN 0.362 nan 8.360 nan 0.000 0.459 391 W N 5.236 126.532 121.300 -0.008 0.000 2.606 391 W HA 0.494 5.154 4.660 0.001 0.000 0.332 391 W C -0.682 175.834 176.519 -0.004 0.000 1.052 391 W CA -0.729 56.622 57.345 0.009 0.000 1.223 391 W CB 1.041 30.527 29.460 0.044 0.000 1.383 391 W HN 0.462 nan 8.180 nan 0.000 0.524 392 R N 5.394 125.330 120.500 -0.940 0.000 2.628 392 R HA 0.265 4.606 4.340 0.001 0.000 0.288 392 R C -1.966 173.391 176.300 -1.571 0.000 0.980 392 R CA -1.772 53.779 56.100 -0.916 0.000 0.891 392 R CB 1.740 31.762 30.300 -0.463 0.000 1.188 392 R HN 0.199 nan 8.270 nan 0.000 0.450 393 P HA -0.285 nan 4.420 nan 0.000 0.220 393 P C 0.764 177.847 177.300 -0.361 0.000 1.144 393 P CA 1.468 64.205 63.100 -0.604 0.000 0.808 393 P CB 0.277 31.868 31.700 -0.183 0.000 0.763 394 Q N -2.049 117.524 119.800 -0.378 0.000 2.281 394 Q HA 0.068 4.409 4.340 0.001 0.000 0.215 394 Q C -0.150 175.747 176.000 -0.171 0.000 0.867 394 Q CA 0.259 55.942 55.803 -0.201 0.000 0.940 394 Q CB -0.153 28.498 28.738 -0.146 0.000 1.111 394 Q HN 0.199 nan 8.270 nan 0.000 0.513 395 D N 2.060 122.301 120.400 -0.264 0.000 2.362 395 D HA 0.050 4.690 4.640 0.001 0.000 0.242 395 D C 0.263 176.569 176.300 0.010 0.000 1.132 395 D CA -0.061 53.862 54.000 -0.128 0.000 0.907 395 D CB 1.291 41.992 40.800 -0.165 0.000 1.195 395 D HN 0.146 nan 8.370 nan 0.000 0.429 396 E N -0.222 120.016 120.200 0.064 0.000 2.299 396 E HA -0.070 4.281 4.350 0.001 0.000 0.193 396 E C -0.193 176.519 176.600 0.186 0.000 0.998 396 E CA 0.295 56.761 56.400 0.109 0.000 0.851 396 E CB 0.355 30.098 29.700 0.072 0.000 0.795 396 E HN 0.308 nan 8.360 nan 0.000 0.492 397 E N 2.163 122.506 120.200 0.238 0.000 2.376 397 E HA 0.039 4.390 4.350 0.001 0.000 0.266 397 E C -2.200 174.685 176.600 0.474 0.000 1.009 397 E CA -2.264 54.324 56.400 0.313 0.000 0.902 397 E CB -0.115 29.773 29.700 0.314 0.000 0.972 397 E HN 0.125 nan 8.360 nan 0.000 0.439 398 P HA -0.044 nan 4.420 nan 0.000 0.269 398 P C 1.002 178.313 177.300 0.018 0.000 1.215 398 P CA -0.080 63.142 63.100 0.204 0.000 0.780 398 P CB 0.551 32.287 31.700 0.061 0.000 0.898 399 C N 0.529 119.477 119.300 -0.586 0.000 2.468 399 C HA 0.447 4.908 4.460 0.001 0.000 0.277 399 C C 1.040 175.958 174.990 -0.119 0.000 1.400 399 C CA 0.275 58.731 59.018 -0.936 0.000 1.770 399 C CB -1.355 25.320 27.740 -1.776 0.000 1.905 399 C HN 0.611 nan 8.230 nan 0.000 0.519 400 A N 0.034 122.816 122.820 -0.063 0.000 2.365 400 A HA 0.568 4.889 4.320 0.001 0.000 0.318 400 A C -0.397 176.956 177.584 -0.385 0.000 1.091 400 A CA -0.359 51.646 52.037 -0.054 0.000 0.763 400 A CB 0.172 19.199 19.000 0.044 0.000 1.248 400 A HN 0.579 nan 8.150 nan 0.000 0.442 401 H N 2.222 120.655 119.070 -1.062 0.000 2.897 401 H HA 0.074 4.630 4.556 0.001 0.000 0.347 401 H C -1.746 173.262 175.328 -0.532 0.000 1.068 401 H CA -0.619 54.729 56.048 -1.168 0.000 1.426 401 H CB 1.200 29.960 29.762 -1.670 0.000 1.410 401 H HN 0.277 nan 8.280 nan 0.000 0.597 402 P HA -0.122 nan 4.420 nan 0.000 0.219 402 P C 0.740 177.921 177.300 -0.199 0.000 1.146 402 P CA 1.441 64.300 63.100 -0.402 0.000 0.808 402 P CB 0.249 31.702 31.700 -0.411 0.000 0.779 403 N N -1.003 117.707 118.700 0.015 0.000 2.251 403 N HA 0.004 4.745 4.740 0.001 0.000 0.217 403 N C -0.256 175.256 175.510 0.002 0.000 1.124 403 N CA -0.187 52.881 53.050 0.031 0.000 0.843 403 N CB -0.250 38.270 38.487 0.055 0.000 1.024 403 N HN -0.032 nan 8.380 nan 0.000 0.501 404 S N -0.230 115.436 115.700 -0.056 0.000 2.576 404 S HA 0.292 4.763 4.470 0.001 0.000 0.272 404 S C 0.107 174.592 174.600 -0.191 0.000 1.352 404 S CA -0.319 57.833 58.200 -0.079 0.000 1.021 404 S CB 1.032 64.183 63.200 -0.082 0.000 0.887 404 S HN 0.109 nan 8.310 nan 0.000 0.542 405 R N 0.672 121.066 120.500 -0.176 0.000 2.771 405 R HA 0.520 4.861 4.340 0.001 0.000 0.274 405 R C -1.130 175.035 176.300 -0.225 0.000 0.987 405 R CA -0.739 55.099 56.100 -0.436 0.000 0.908 405 R CB 1.465 31.334 30.300 -0.719 0.000 1.213 405 R HN 0.812 nan 8.270 nan 0.000 0.468 406 F N -1.176 118.564 119.950 -0.350 0.000 2.480 406 F HA 0.675 5.203 4.527 0.001 0.000 0.329 406 F C -0.377 175.257 175.800 -0.277 0.000 1.091 406 F CA -1.446 56.314 58.000 -0.400 0.000 0.972 406 F CB 1.337 40.065 39.000 -0.452 0.000 1.150 406 F HN 0.330 nan 8.300 nan 0.000 0.467 407 C N 3.552 122.870 119.300 0.030 0.000 2.356 407 C HA 0.768 5.229 4.460 0.001 0.000 0.324 407 C C -0.609 174.439 174.990 0.097 0.000 1.167 407 C CA 0.103 59.205 59.018 0.139 0.000 1.420 407 C CB -0.150 27.681 27.740 0.151 0.000 2.036 407 C HN 1.071 nan 8.230 nan 0.000 0.435 408 T N 7.088 121.739 114.554 0.162 0.000 2.916 408 T HA 0.560 4.911 4.350 0.001 0.000 0.298 408 T C -2.929 171.743 174.700 -0.047 0.000 1.031 408 T CA -0.973 61.174 62.100 0.079 0.000 0.993 408 T CB 1.726 70.671 68.868 0.127 0.000 1.045 408 T HN 0.478 nan 8.240 nan 0.000 0.454 409 P HA 0.176 nan 4.420 nan 0.000 0.263 409 P C 0.316 177.408 177.300 -0.346 0.000 1.195 409 P CA 0.003 62.994 63.100 -0.182 0.000 0.762 409 P CB 0.458 32.099 31.700 -0.098 0.000 0.799 410 A N 4.169 126.608 122.820 -0.635 0.000 1.883 410 A HA -0.222 4.098 4.320 0.001 0.000 0.217 410 A C 2.209 179.378 177.584 -0.691 0.000 1.186 410 A CA 2.365 53.769 52.037 -1.057 0.000 0.624 410 A CB -1.711 16.492 19.000 -1.329 0.000 0.822 410 A HN 0.580 nan 8.150 nan 0.000 0.444 411 S N -0.493 114.954 115.700 -0.423 0.000 2.462 411 S HA -0.263 4.208 4.470 0.001 0.000 0.243 411 S C 1.720 176.254 174.600 -0.110 0.000 1.003 411 S CA 1.610 59.712 58.200 -0.164 0.000 0.970 411 S CB -0.532 62.745 63.200 0.129 0.000 0.762 411 S HN 0.721 nan 8.310 nan 0.000 0.510 412 Q N -0.208 119.526 119.800 -0.109 0.000 2.331 412 Q HA 0.157 4.498 4.340 0.001 0.000 0.203 412 Q C 1.046 177.030 176.000 -0.027 0.000 0.944 412 Q CA 0.257 56.033 55.803 -0.044 0.000 0.892 412 Q CB -0.170 28.552 28.738 -0.028 0.000 0.983 412 Q HN 0.672 nan 8.270 nan 0.000 0.482 413 C N 3.422 122.715 119.300 -0.012 0.000 2.523 413 C HA 0.000 4.461 4.460 0.001 0.000 0.406 413 C C -0.878 174.103 174.990 -0.015 0.000 1.449 413 C CA -1.349 57.686 59.018 0.029 0.000 1.588 413 C CB 0.429 28.246 27.740 0.129 0.000 2.514 413 C HN 0.361 nan 8.230 nan 0.000 0.606 414 P HA -0.055 nan 4.420 nan 0.000 0.226 414 P C 0.504 177.802 177.300 -0.005 0.000 1.153 414 P CA 1.494 64.589 63.100 -0.009 0.000 0.777 414 P CB -0.221 31.473 31.700 -0.011 0.000 0.794 415 I N -4.759 115.805 120.570 -0.009 0.000 3.707 415 I HA 0.354 4.525 4.170 0.001 0.000 0.330 415 I C 0.288 176.406 176.117 0.002 0.000 1.572 415 I CA -1.129 60.172 61.300 0.002 0.000 1.104 415 I CB -0.227 37.773 38.000 0.000 0.000 1.240 415 I HN -0.342 nan 8.210 nan 0.000 0.475 416 I N 2.368 122.919 120.570 -0.031 0.000 2.752 416 I HA -0.025 4.146 4.170 0.001 0.000 0.289 416 I C 0.559 176.698 176.117 0.037 0.000 1.197 416 I CA 0.578 61.824 61.300 -0.090 0.000 1.432 416 I CB 0.222 38.010 38.000 -0.353 0.000 1.359 416 I HN 0.338 nan 8.210 nan 0.000 0.571 417 D N 9.163 129.638 120.400 0.126 0.000 2.455 417 D HA 0.066 4.707 4.640 0.001 0.000 0.241 417 D C -1.476 175.014 176.300 0.316 0.000 1.138 417 D CA -0.786 53.356 54.000 0.236 0.000 0.877 417 D CB 0.962 41.964 40.800 0.336 0.000 1.187 417 D HN 0.367 nan 8.370 nan 0.000 0.451 418 P HA -0.101 nan 4.420 nan 0.000 0.228 418 P C 0.247 177.671 177.300 0.206 0.000 1.151 418 P CA 0.642 63.875 63.100 0.221 0.000 0.770 418 P CB 0.183 31.971 31.700 0.146 0.000 0.786 419 A N -0.342 122.615 122.820 0.228 0.000 2.308 419 A HA 0.048 4.369 4.320 0.001 0.000 0.217 419 A C 1.737 179.387 177.584 0.111 0.000 1.216 419 A CA -0.501 51.612 52.037 0.126 0.000 0.864 419 A CB -1.491 17.561 19.000 0.086 0.000 0.902 419 A HN 0.341 nan 8.150 nan 0.000 0.499 420 W N 0.481 121.806 121.300 0.042 0.000 2.480 420 W HA -0.029 4.632 4.660 0.001 0.000 0.257 420 W C 0.017 176.523 176.519 -0.020 0.000 1.235 420 W CA 1.216 58.575 57.345 0.023 0.000 1.218 420 W CB -0.301 29.190 29.460 0.051 0.000 1.131 420 W HN 0.476 nan 8.180 nan 0.000 0.606 421 E N 0.579 120.433 120.200 -0.578 0.000 2.714 421 E HA 0.030 4.381 4.350 0.001 0.000 0.219 421 E C -0.004 176.382 176.600 -0.356 0.000 0.979 421 E CA -0.149 55.824 56.400 -0.712 0.000 1.092 421 E CB 0.647 29.744 29.700 -1.005 0.000 1.049 421 E HN -0.106 nan 8.360 nan 0.000 0.487 422 S N 2.737 118.306 115.700 -0.218 0.000 2.516 422 S HA 0.052 4.523 4.470 0.001 0.000 0.282 422 S C -1.211 173.302 174.600 -0.145 0.000 1.286 422 S CA -1.291 56.820 58.200 -0.149 0.000 1.066 422 S CB 0.700 63.838 63.200 -0.105 0.000 0.884 422 S HN 0.073 nan 8.310 nan 0.000 0.491 423 P HA -0.163 nan 4.420 nan 0.000 0.219 423 P C 0.952 178.193 177.300 -0.097 0.000 1.146 423 P CA 1.054 64.087 63.100 -0.112 0.000 0.808 423 P CB 0.067 31.711 31.700 -0.093 0.000 0.779 424 E N 0.370 120.515 120.200 -0.091 0.000 2.479 424 E HA 0.140 4.491 4.350 0.001 0.000 0.193 424 E C 0.956 177.500 176.600 -0.094 0.000 1.049 424 E CA 0.672 57.023 56.400 -0.083 0.000 0.870 424 E CB -0.556 29.103 29.700 -0.068 0.000 0.944 424 E HN 0.175 nan 8.360 nan 0.000 0.492 425 G N 0.580 109.314 108.800 -0.110 0.000 2.796 425 G HA2 -0.190 3.771 3.960 0.001 0.000 0.571 425 G HA3 -0.190 3.771 3.960 0.001 0.000 0.571 425 G C -0.228 174.561 174.900 -0.185 0.000 1.370 425 G CA -0.178 44.846 45.100 -0.127 0.000 0.856 425 G HN 0.767 nan 8.290 nan 0.000 0.538 426 V N -2.395 117.361 119.914 -0.263 0.000 2.667 426 V HA 0.900 5.020 4.120 0.001 0.000 0.308 426 V C -2.234 173.681 176.094 -0.299 0.000 1.048 426 V CA -2.028 59.990 62.300 -0.469 0.000 0.928 426 V CB 2.253 33.428 31.823 -1.081 0.000 1.004 426 V HN 0.903 nan 8.190 nan 0.000 0.444 427 P HA 0.378 nan 4.420 nan 0.000 0.287 427 P C -0.716 176.601 177.300 0.028 0.000 1.294 427 P CA -0.139 62.926 63.100 -0.059 0.000 0.776 427 P CB 0.877 32.575 31.700 -0.004 0.000 0.889 428 I N 4.127 124.706 120.570 0.015 0.000 2.352 428 I HA 0.146 4.317 4.170 0.001 0.000 0.290 428 I C 1.418 177.585 176.117 0.083 0.000 1.036 428 I CA 0.082 61.427 61.300 0.076 0.000 1.336 428 I CB 0.330 38.361 38.000 0.051 0.000 1.407 428 I HN 0.428 nan 8.210 nan 0.000 0.497 429 E N 3.734 123.996 120.200 0.104 0.000 2.447 429 E HA 0.253 4.603 4.350 0.001 0.000 0.204 429 E C 0.739 177.412 176.600 0.123 0.000 0.977 429 E CA -0.080 56.371 56.400 0.084 0.000 0.950 429 E CB 1.131 30.848 29.700 0.027 0.000 0.975 429 E HN 0.786 nan 8.360 nan 0.000 0.496 430 G N 0.962 109.854 108.800 0.153 0.000 2.733 430 G HA2 0.604 4.565 3.960 0.001 0.000 0.297 430 G HA3 0.604 4.565 3.960 0.001 0.000 0.297 430 G C -1.311 173.692 174.900 0.172 0.000 1.422 430 G CA -0.594 44.638 45.100 0.220 0.000 0.942 430 G HN -0.046 nan 8.290 nan 0.000 0.510 431 I N 1.260 121.912 120.570 0.135 0.000 2.498 431 I HA 0.467 4.638 4.170 0.001 0.000 0.290 431 I C -0.692 175.318 176.117 -0.178 0.000 1.032 431 I CA -0.797 60.479 61.300 -0.039 0.000 1.073 431 I CB 2.336 40.314 38.000 -0.037 0.000 1.251 431 I HN 0.232 nan 8.210 nan 0.000 0.426 432 I N 5.574 125.970 120.570 -0.289 0.000 2.433 432 I HA 0.430 4.600 4.170 0.001 0.000 0.292 432 I C -0.904 174.946 176.117 -0.444 0.000 1.001 432 I CA -0.427 60.735 61.300 -0.230 0.000 1.119 432 I CB 1.400 39.370 38.000 -0.049 0.000 1.289 432 I HN 0.251 nan 8.210 nan 0.000 0.438 433 F N 3.034 122.928 119.950 -0.093 0.000 2.483 433 F HA 0.909 5.437 4.527 0.001 0.000 0.329 433 F C 0.763 176.365 175.800 -0.329 0.000 1.064 433 F CA -0.800 57.102 58.000 -0.164 0.000 0.986 433 F CB 2.093 40.975 39.000 -0.196 0.000 1.218 433 F HN 0.522 nan 8.300 nan 0.000 0.484 434 G N -0.528 108.258 108.800 -0.024 0.000 2.340 434 G HA2 0.540 4.501 3.960 0.001 0.000 0.298 434 G HA3 0.540 4.501 3.960 0.001 0.000 0.298 434 G C -1.238 173.472 174.900 -0.316 0.000 1.498 434 G CA -0.034 44.749 45.100 -0.528 0.000 0.847 434 G HN 1.097 nan 8.290 nan 0.000 0.594 435 G N -0.997 107.575 108.800 -0.381 0.000 2.578 435 G HA2 0.589 4.550 3.960 0.001 0.000 0.302 435 G HA3 0.589 4.550 3.960 0.001 0.000 0.302 435 G C -1.345 173.450 174.900 -0.175 0.000 1.243 435 G CA -0.925 44.020 45.100 -0.258 0.000 0.843 435 G HN 0.597 nan 8.290 nan 0.000 0.486 436 R N 1.026 121.383 120.500 -0.237 0.000 2.205 436 R HA 0.475 4.816 4.340 0.001 0.000 0.342 436 R C -0.599 175.664 176.300 -0.062 0.000 1.058 436 R CA -0.381 55.571 56.100 -0.247 0.000 0.904 436 R CB 0.701 30.704 30.300 -0.496 0.000 1.089 436 R HN 0.113 nan 8.270 nan 0.000 0.471 437 R N 4.080 124.616 120.500 0.059 0.000 2.422 437 R HA 0.194 4.535 4.340 0.001 0.000 0.307 437 R C -2.047 174.297 176.300 0.074 0.000 1.004 437 R CA -2.148 53.981 56.100 0.048 0.000 0.882 437 R CB 1.652 31.986 30.300 0.058 0.000 1.164 437 R HN 0.406 nan 8.270 nan 0.000 0.489 438 P HA -0.037 nan 4.420 nan 0.000 0.223 438 P C -0.102 177.196 177.300 -0.003 0.000 1.151 438 P CA 0.800 63.933 63.100 0.056 0.000 0.787 438 P CB 0.601 32.313 31.700 0.020 0.000 0.788 439 A N -1.831 120.952 122.820 -0.061 0.000 2.498 439 A HA 0.648 4.968 4.320 0.001 0.000 0.298 439 A C 0.998 178.244 177.584 -0.563 0.000 1.075 439 A CA -0.016 51.898 52.037 -0.205 0.000 0.714 439 A CB 1.133 20.070 19.000 -0.105 0.000 1.299 439 A HN 0.174 nan 8.150 nan 0.000 0.407 440 G N -0.391 107.879 108.800 -0.884 0.000 2.507 440 G HA2 -0.199 3.761 3.960 0.001 0.000 0.240 440 G HA3 -0.199 3.761 3.960 0.001 0.000 0.240 440 G C 0.403 174.936 174.900 -0.612 0.000 1.119 440 G CA 0.484 44.580 45.100 -1.674 0.000 0.664 440 G HN 1.690 nan 8.290 nan 0.000 0.516 441 V N 3.729 123.486 119.914 -0.261 0.000 2.406 441 V HA 0.454 4.574 4.120 0.001 0.000 0.272 441 V C -1.426 174.706 176.094 0.064 0.000 1.043 441 V CA -1.280 61.108 62.300 0.148 0.000 0.915 441 V CB 1.382 33.341 31.823 0.226 0.000 0.988 441 V HN 0.180 nan 8.190 nan 0.000 0.466 442 P HA 0.069 nan 4.420 nan 0.000 0.271 442 P C 0.826 177.983 177.300 -0.238 0.000 1.233 442 P CA -0.391 62.625 63.100 -0.139 0.000 0.789 442 P CB 0.645 32.360 31.700 0.024 0.000 0.951 443 L N 2.696 123.497 121.223 -0.704 0.000 2.042 443 L HA -0.034 4.307 4.340 0.001 0.000 0.210 443 L C 0.471 177.137 176.870 -0.340 0.000 1.076 443 L CA 2.091 56.544 54.840 -0.645 0.000 0.749 443 L CB -0.123 41.280 42.059 -1.092 0.000 0.893 443 L HN 0.197 nan 8.230 nan 0.000 0.432 444 V N -0.728 119.093 119.914 -0.155 0.000 2.891 444 V HA 0.449 4.570 4.120 0.001 0.000 0.304 444 V C -1.619 174.652 176.094 0.296 0.000 1.171 444 V CA -0.568 61.762 62.300 0.049 0.000 0.943 444 V CB 1.891 33.722 31.823 0.013 0.000 1.037 444 V HN 0.373 nan 8.190 nan 0.000 0.427 445 Y N 2.507 122.982 120.300 0.290 0.000 2.644 445 Y HA 0.838 5.389 4.550 0.001 0.000 0.338 445 Y C -0.891 175.334 175.900 0.542 0.000 1.119 445 Y CA -1.031 57.284 58.100 0.358 0.000 1.060 445 Y CB 1.668 40.260 38.460 0.219 0.000 1.294 445 Y HN 0.704 nan 8.280 nan 0.000 0.472 446 E N 1.935 122.570 120.200 0.725 0.000 2.210 446 E HA 0.710 5.060 4.350 0.001 0.000 0.266 446 E C -0.948 175.916 176.600 0.440 0.000 0.883 446 E CA -1.149 55.541 56.400 0.484 0.000 0.761 446 E CB 1.838 31.866 29.700 0.547 0.000 1.156 446 E HN 1.062 nan 8.360 nan 0.000 0.412 447 A N 4.179 127.138 122.820 0.232 0.000 2.466 447 A HA 0.113 4.434 4.320 0.001 0.000 0.238 447 A C 0.908 178.735 177.584 0.405 0.000 1.074 447 A CA -0.076 52.139 52.037 0.297 0.000 0.774 447 A CB 0.219 19.245 19.000 0.044 0.000 1.015 447 A HN 0.855 nan 8.150 nan 0.000 0.498 448 L N 1.112 122.660 121.223 0.542 0.000 2.478 448 L HA 0.075 4.416 4.340 0.001 0.000 0.223 448 L C 0.982 178.009 176.870 0.263 0.000 1.140 448 L CA 1.104 56.087 54.840 0.237 0.000 0.842 448 L CB -0.660 41.359 42.059 -0.067 0.000 0.953 448 L HN 0.931 nan 8.230 nan 0.000 0.452 449 S N -3.843 112.031 115.700 0.291 0.000 2.656 449 S HA -0.020 4.451 4.470 0.001 0.000 0.265 449 S C -0.148 174.637 174.600 0.309 0.000 1.110 449 S CA -0.927 57.435 58.200 0.270 0.000 0.821 449 S CB -0.136 63.198 63.200 0.223 0.000 1.099 449 S HN 0.199 nan 8.310 nan 0.000 0.471 450 W N 1.270 122.657 121.300 0.145 0.000 2.355 450 W HA -0.175 4.486 4.660 0.001 0.000 0.309 450 W C 1.597 178.242 176.519 0.211 0.000 1.206 450 W CA 2.526 59.972 57.345 0.169 0.000 1.284 450 W CB -0.488 29.045 29.460 0.121 0.000 1.145 450 W HN 0.896 nan 8.180 nan 0.000 0.502 451 Q N -0.900 119.062 119.800 0.270 0.000 2.030 451 Q HA -0.277 4.063 4.340 0.001 0.000 0.204 451 Q C 2.302 178.408 176.000 0.178 0.000 0.986 451 Q CA 2.290 58.206 55.803 0.189 0.000 0.843 451 Q CB -1.460 27.408 28.738 0.217 0.000 0.904 451 Q HN 0.498 nan 8.270 nan 0.000 0.420 452 H N -0.680 118.450 119.070 0.101 0.000 2.387 452 H HA -0.101 4.456 4.556 0.001 0.000 0.299 452 H C 1.841 177.263 175.328 0.157 0.000 1.099 452 H CA 1.108 57.230 56.048 0.122 0.000 1.315 452 H CB -0.009 29.802 29.762 0.082 0.000 1.380 452 H HN 0.385 nan 8.280 nan 0.000 0.513 453 G N 0.190 108.968 108.800 -0.036 0.000 2.402 453 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 453 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 453 G C 1.855 176.640 174.900 -0.190 0.000 1.162 453 G CA 0.863 45.877 45.100 -0.142 0.000 0.777 453 G HN 0.327 nan 8.290 nan 0.000 0.539 454 V N 0.634 120.422 119.914 -0.209 0.000 2.287 454 V HA -0.174 3.946 4.120 0.001 0.000 0.248 454 V C 2.332 178.418 176.094 -0.014 0.000 1.053 454 V CA 1.889 64.146 62.300 -0.071 0.000 1.027 454 V CB -0.749 31.093 31.823 0.032 0.000 0.646 454 V HN 0.386 nan 8.190 nan 0.000 0.447 455 F N 0.884 120.794 119.950 -0.066 0.000 2.091 455 F HA -0.225 4.303 4.527 0.001 0.000 0.299 455 F C 2.255 177.977 175.800 -0.129 0.000 1.103 455 F CA 1.999 59.984 58.000 -0.026 0.000 1.228 455 F CB -0.457 38.581 39.000 0.064 0.000 0.984 455 F HN -0.042 nan 8.300 nan 0.000 0.477 456 V N 0.667 120.421 119.914 -0.266 0.000 2.287 456 V HA -0.295 3.826 4.120 0.001 0.000 0.248 456 V C 2.778 178.468 176.094 -0.675 0.000 1.053 456 V CA 2.097 64.179 62.300 -0.364 0.000 1.027 456 V CB -1.699 30.022 31.823 -0.170 0.000 0.646 456 V HN 0.584 nan 8.190 nan 0.000 0.447 457 G N -0.588 107.478 108.800 -1.224 0.000 2.418 457 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 457 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 457 G C 1.747 176.018 174.900 -1.048 0.000 1.158 457 G CA 1.019 44.753 45.100 -2.277 0.000 0.771 457 G HN 0.634 nan 8.290 nan 0.000 0.545 458 A N 0.783 123.358 122.820 -0.409 0.000 2.019 458 A HA 0.348 4.668 4.320 0.001 0.000 0.219 458 A C 2.544 180.109 177.584 -0.032 0.000 1.164 458 A CA 2.037 54.166 52.037 0.154 0.000 0.644 458 A CB -0.395 18.724 19.000 0.199 0.000 0.805 458 A HN 0.820 nan 8.150 nan 0.000 0.449 459 A N -1.220 121.376 122.820 -0.373 0.000 2.275 459 A HA 0.450 4.771 4.320 0.001 0.000 0.212 459 A C 0.939 178.393 177.584 -0.215 0.000 1.201 459 A CA -0.335 51.506 52.037 -0.328 0.000 0.843 459 A CB -0.468 18.139 19.000 -0.656 0.000 0.873 459 A HN 0.506 nan 8.150 nan 0.000 0.492 460 M N 1.049 120.519 119.600 -0.217 0.000 2.290 460 M HA 0.056 4.537 4.480 0.001 0.000 0.356 460 M C 0.111 176.280 176.300 -0.218 0.000 1.448 460 M CA 1.064 56.272 55.300 -0.152 0.000 0.993 460 M CB 0.118 32.629 32.600 -0.148 0.000 1.934 460 M HN 0.282 nan 8.290 nan 0.000 0.461 461 R N 1.357 121.726 120.500 -0.219 0.000 2.744 461 R HA 0.686 5.027 4.340 0.001 0.000 0.279 461 R C -1.195 174.996 176.300 -0.181 0.000 0.977 461 R CA -0.723 55.179 56.100 -0.330 0.000 0.906 461 R CB 2.433 32.447 30.300 -0.477 0.000 1.197 461 R HN 0.641 nan 8.270 nan 0.000 0.463 462 S N 0.729 116.319 115.700 -0.184 0.000 2.566 462 S HA 0.095 4.565 4.470 0.001 0.000 0.273 462 S C -1.302 173.213 174.600 -0.142 0.000 1.157 462 S CA -0.777 57.337 58.200 -0.143 0.000 0.938 462 S CB 1.502 64.625 63.200 -0.129 0.000 1.087 462 S HN 0.625 nan 8.310 nan 0.000 0.474 463 E N 3.047 123.165 120.200 -0.137 0.000 2.465 463 E HA 0.385 4.736 4.350 0.001 0.000 0.260 463 E C 0.380 176.908 176.600 -0.121 0.000 0.980 463 E CA -0.089 56.239 56.400 -0.120 0.000 0.927 463 E CB 0.599 30.232 29.700 -0.111 0.000 0.934 463 E HN 0.749 nan 8.360 nan 0.000 0.459 464 A N 4.176 126.939 122.820 -0.094 0.000 2.567 464 A HA 0.103 4.424 4.320 0.001 0.000 0.240 464 A C 0.441 177.975 177.584 -0.083 0.000 1.053 464 A CA 0.628 52.618 52.037 -0.080 0.000 0.755 464 A CB -0.038 18.926 19.000 -0.060 0.000 0.978 464 A HN 0.727 nan 8.150 nan 0.000 0.507 474 V N 3.802 123.686 119.914 -0.050 0.000 2.903 474 V HA 0.387 4.508 4.120 0.001 0.000 0.289 474 V C -1.726 174.325 176.094 -0.072 0.000 1.355 474 V CA -0.780 61.488 62.300 -0.053 0.000 0.953 474 V CB 1.703 33.500 31.823 -0.042 0.000 1.102 474 V HN 0.661 nan 8.190 nan 0.000 0.435 475 I N 7.400 127.919 120.570 -0.085 0.000 2.396 475 I HA 0.414 4.585 4.170 0.001 0.000 0.289 475 I C 0.496 176.525 176.117 -0.148 0.000 1.056 475 I CA 0.639 61.865 61.300 -0.123 0.000 1.365 475 I CB 1.051 38.969 38.000 -0.137 0.000 1.407 475 I HN 0.506 nan 8.210 nan 0.000 0.509 476 M N 4.934 124.435 119.600 -0.165 0.000 2.528 476 M HA 0.401 4.882 4.480 0.001 0.000 0.321 476 M C -0.351 175.794 176.300 -0.257 0.000 1.153 476 M CA -0.773 54.438 55.300 -0.148 0.000 0.951 476 M CB 1.577 34.122 32.600 -0.093 0.000 1.705 476 M HN 0.432 nan 8.290 nan 0.000 0.451 477 H N 1.658 120.565 119.070 -0.270 0.000 2.803 477 H HA 0.080 4.636 4.556 0.001 0.000 0.330 477 H C -0.861 174.327 175.328 -0.234 0.000 1.057 477 H CA 0.817 56.622 56.048 -0.404 0.000 1.458 477 H CB 0.742 29.940 29.762 -0.940 0.000 1.470 477 H HN 0.465 nan 8.280 nan 0.000 0.560 478 D N 4.927 125.261 120.400 -0.109 0.000 2.621 478 D HA 0.161 4.801 4.640 0.001 0.000 0.274 478 D C -2.717 173.556 176.300 -0.045 0.000 1.215 478 D CA -1.732 52.228 54.000 -0.067 0.000 0.810 478 D CB 0.905 41.671 40.800 -0.057 0.000 1.248 478 D HN 0.254 nan 8.370 nan 0.000 0.517 479 P HA 0.068 nan 4.420 nan 0.000 0.267 479 P C 0.338 177.771 177.300 0.222 0.000 1.205 479 P CA -0.003 63.141 63.100 0.072 0.000 0.765 479 P CB 0.114 31.849 31.700 0.059 0.000 0.828 480 F N 1.278 121.152 119.950 -0.126 0.000 2.973 480 F HA -0.317 4.210 4.527 0.001 0.000 0.299 480 F C 1.421 177.286 175.800 0.108 0.000 0.737 480 F CA 0.948 58.940 58.000 -0.015 0.000 1.151 480 F CB -2.453 36.636 39.000 0.149 0.000 1.440 480 F HN 0.559 nan 8.300 nan 0.000 0.367 481 A N -1.373 121.551 122.820 0.173 0.000 2.816 481 A HA -0.300 4.021 4.320 0.001 0.000 0.270 481 A C 1.282 179.040 177.584 0.289 0.000 1.413 481 A CA 1.639 53.811 52.037 0.224 0.000 0.866 481 A CB -1.439 17.701 19.000 0.234 0.000 1.032 481 A HN 0.427 nan 8.150 nan 0.000 0.642 482 M N -1.426 118.154 119.600 -0.034 0.000 2.333 482 M HA 0.135 4.616 4.480 0.001 0.000 0.257 482 M C 1.650 177.387 176.300 -0.938 0.000 1.078 482 M CA 0.628 55.650 55.300 -0.464 0.000 1.005 482 M CB -0.471 31.531 32.600 -0.997 0.000 1.444 482 M HN 0.657 nan 8.290 nan 0.000 0.496 483 R N 1.967 122.156 120.500 -0.519 0.000 2.103 483 R HA -0.145 4.196 4.340 0.001 0.000 0.242 483 R C -1.094 174.942 176.300 -0.440 0.000 1.142 483 R CA 1.735 57.617 56.100 -0.363 0.000 0.960 483 R CB -0.897 29.309 30.300 -0.157 0.000 0.858 483 R HN 0.167 nan 8.270 nan 0.000 0.439 484 P HA 0.047 nan 4.420 nan 0.000 0.253 484 P C -0.281 176.512 177.300 -0.846 0.000 1.260 484 P CA 0.759 63.355 63.100 -0.839 0.000 0.800 484 P CB 0.148 31.156 31.700 -1.153 0.000 1.162 485 F N -3.297 116.460 119.950 -0.323 0.000 2.856 485 F HA 0.307 4.835 4.527 0.002 0.000 0.338 485 F C 0.597 176.229 175.800 -0.281 0.000 1.100 485 F CA -0.973 56.851 58.000 -0.293 0.000 1.150 485 F CB -0.579 38.240 39.000 -0.302 0.000 1.101 485 F HN -0.316 nan 8.300 nan 0.000 0.548 486 F N 1.166 121.077 119.950 -0.065 0.000 2.602 486 F HA 0.306 4.834 4.527 0.001 0.000 0.385 486 F C 1.716 177.470 175.800 -0.077 0.000 1.063 486 F CA -0.062 57.834 58.000 -0.173 0.000 1.233 486 F CB 0.272 39.078 39.000 -0.323 0.000 1.067 486 F HN 0.107 nan 8.300 nan 0.000 0.564 487 G N 3.138 112.065 108.800 0.212 0.000 2.744 487 G HA2 0.086 4.046 3.960 0.001 0.000 0.211 487 G HA3 0.086 4.046 3.960 0.001 0.000 0.211 487 G C -0.311 174.791 174.900 0.337 0.000 1.143 487 G CA 0.670 45.915 45.100 0.243 0.000 0.788 487 G HN 0.739 nan 8.290 nan 0.000 0.534 488 Y N -3.263 117.113 120.300 0.127 0.000 2.895 488 Y HA 0.448 4.999 4.550 0.001 0.000 0.339 488 Y C -0.642 175.287 175.900 0.048 0.000 1.363 488 Y CA -1.838 56.305 58.100 0.072 0.000 1.085 488 Y CB 0.255 38.739 38.460 0.039 0.000 1.500 488 Y HN -0.158 nan 8.280 nan 0.000 0.442 489 N N 1.663 120.399 118.700 0.060 0.000 2.411 489 N HA -0.110 4.631 4.740 0.001 0.000 0.265 489 N C 0.426 175.792 175.510 -0.241 0.000 1.266 489 N CA 0.328 53.339 53.050 -0.064 0.000 0.889 489 N CB 0.315 38.815 38.487 0.022 0.000 1.069 489 N HN 0.781 nan 8.380 nan 0.000 0.476 490 F N 4.685 124.307 119.950 -0.546 0.000 2.171 490 F HA 0.047 4.574 4.527 0.001 0.000 0.300 490 F C 1.982 177.573 175.800 -0.348 0.000 1.090 490 F CA 1.768 59.276 58.000 -0.820 0.000 1.293 490 F CB -0.689 37.698 39.000 -1.022 0.000 1.013 490 F HN 0.569 nan 8.300 nan 0.000 0.486 491 G N 0.892 109.457 108.800 -0.392 0.000 2.446 491 G HA2 -0.268 3.693 3.960 0.001 0.000 0.217 491 G HA3 -0.268 3.693 3.960 0.001 0.000 0.217 491 G C 1.820 176.626 174.900 -0.157 0.000 1.168 491 G CA 0.799 45.698 45.100 -0.335 0.000 0.771 491 G HN 0.244 nan 8.290 nan 0.000 0.551 492 K N -0.298 120.094 120.400 -0.014 0.000 2.097 492 K HA -0.059 4.262 4.320 0.001 0.000 0.205 492 K C 2.064 178.851 176.600 0.311 0.000 1.050 492 K CA 0.801 57.185 56.287 0.162 0.000 0.938 492 K CB -0.542 32.120 32.500 0.269 0.000 0.718 492 K HN 0.513 nan 8.250 nan 0.000 0.442 493 Y N 2.067 122.413 120.300 0.076 0.000 2.128 493 Y HA -0.222 4.329 4.550 0.001 0.000 0.284 493 Y C 2.072 178.046 175.900 0.124 0.000 1.154 493 Y CA 1.448 59.619 58.100 0.118 0.000 1.149 493 Y CB -0.342 37.973 38.460 -0.241 0.000 0.976 493 Y HN -0.099 nan 8.280 nan 0.000 0.505 494 L N -0.190 121.000 121.223 -0.056 0.000 2.012 494 L HA -0.266 4.074 4.340 0.001 0.000 0.210 494 L C 2.856 179.767 176.870 0.068 0.000 1.073 494 L CA 1.287 56.058 54.840 -0.116 0.000 0.748 494 L CB -1.158 40.730 42.059 -0.285 0.000 0.891 494 L HN 0.359 nan 8.230 nan 0.000 0.431 495 A N -0.520 122.350 122.820 0.083 0.000 1.917 495 A HA -0.331 3.989 4.320 0.001 0.000 0.219 495 A C 2.130 179.844 177.584 0.216 0.000 1.182 495 A CA 2.263 54.388 52.037 0.147 0.000 0.633 495 A CB -0.908 18.162 19.000 0.116 0.000 0.819 495 A HN 0.565 nan 8.150 nan 0.000 0.448 496 H N -2.323 116.818 119.070 0.118 0.000 2.353 496 H HA -0.166 4.390 4.556 0.001 0.000 0.300 496 H C 1.753 177.154 175.328 0.122 0.000 1.090 496 H CA 1.984 58.088 56.048 0.093 0.000 1.327 496 H CB -0.400 29.413 29.762 0.084 0.000 1.383 496 H HN 0.618 nan 8.280 nan 0.000 0.508 497 W N 0.655 121.879 121.300 -0.125 0.000 2.355 497 W HA -0.123 4.538 4.660 0.001 0.000 0.309 497 W C 2.477 179.186 176.519 0.317 0.000 1.206 497 W CA 1.485 58.842 57.345 0.021 0.000 1.284 497 W CB -0.605 28.816 29.460 -0.065 0.000 1.145 497 W HN 0.192 nan 8.180 nan 0.000 0.502 498 L N 0.224 121.728 121.223 0.469 0.000 2.079 498 L HA -0.291 4.050 4.340 0.001 0.000 0.210 498 L C 2.617 179.698 176.870 0.352 0.000 1.081 498 L CA 1.810 56.923 54.840 0.455 0.000 0.752 498 L CB -1.310 40.941 42.059 0.321 0.000 0.896 498 L HN 0.026 nan 8.230 nan 0.000 0.433 499 S N -0.761 115.092 115.700 0.255 0.000 2.442 499 S HA -0.180 4.290 4.470 0.001 0.000 0.236 499 S C 1.888 176.513 174.600 0.041 0.000 1.007 499 S CA 0.978 59.306 58.200 0.212 0.000 0.965 499 S CB -0.429 62.863 63.200 0.153 0.000 0.773 499 S HN 0.357 nan 8.310 nan 0.000 0.504 500 M N 1.622 121.208 119.600 -0.023 0.000 2.213 500 M HA -0.004 4.477 4.480 0.001 0.000 0.263 500 M C 2.667 178.652 176.300 -0.525 0.000 1.062 500 M CA 1.452 56.596 55.300 -0.260 0.000 1.105 500 M CB -0.689 31.819 32.600 -0.154 0.000 1.385 500 M HN 0.538 nan 8.290 nan 0.000 0.417 501 A N -0.277 122.228 122.820 -0.525 0.000 1.940 501 A HA -0.185 4.136 4.320 0.001 0.000 0.219 501 A C 1.758 179.055 177.584 -0.479 0.000 1.176 501 A CA 1.496 53.161 52.037 -0.620 0.000 0.631 501 A CB -1.017 17.689 19.000 -0.491 0.000 0.814 501 A HN 0.514 nan 8.150 nan 0.000 0.446 502 H N -0.287 118.694 119.070 -0.149 0.000 2.555 502 H HA 0.003 4.559 4.556 0.001 0.000 0.269 502 H C 0.931 176.170 175.328 -0.149 0.000 0.988 502 H CA 0.938 56.920 56.048 -0.111 0.000 1.178 502 H CB -0.239 29.493 29.762 -0.051 0.000 1.373 502 H HN 0.622 nan 8.280 nan 0.000 0.588 503 R N 2.186 122.590 120.500 -0.159 0.000 2.267 503 R HA 0.122 4.463 4.340 0.001 0.000 0.319 503 R C -2.216 173.952 176.300 -0.220 0.000 1.067 503 R CA -1.527 54.460 56.100 -0.188 0.000 0.936 503 R CB 0.723 30.874 30.300 -0.247 0.000 1.006 503 R HN -0.137 nan 8.270 nan 0.000 0.452 504 P HA -0.150 nan 4.420 nan 0.000 0.218 504 P C 0.769 177.991 177.300 -0.131 0.000 1.148 504 P CA 1.771 64.804 63.100 -0.111 0.000 0.822 504 P CB 0.191 31.849 31.700 -0.070 0.000 0.784 505 A N -1.019 121.713 122.820 -0.147 0.000 2.208 505 A HA 0.388 4.709 4.320 0.001 0.000 0.209 505 A C 1.246 178.729 177.584 -0.169 0.000 1.161 505 A CA 0.292 52.254 52.037 -0.124 0.000 0.782 505 A CB -0.911 18.038 19.000 -0.085 0.000 0.816 505 A HN 0.230 nan 8.150 nan 0.000 0.477 506 A N 0.494 123.131 122.820 -0.304 0.000 2.450 506 A HA 0.458 4.779 4.320 0.001 0.000 0.255 506 A C 0.074 177.493 177.584 -0.276 0.000 1.096 506 A CA -0.190 51.563 52.037 -0.474 0.000 0.778 506 A CB -0.044 18.362 19.000 -0.991 0.000 1.031 506 A HN 0.357 nan 8.150 nan 0.000 0.494 507 K N 3.013 123.364 120.400 -0.083 0.000 2.244 507 K HA 0.338 4.659 4.320 0.001 0.000 0.263 507 K C -0.964 175.677 176.600 0.067 0.000 1.103 507 K CA 0.089 56.379 56.287 0.005 0.000 0.966 507 K CB 0.529 33.064 32.500 0.059 0.000 1.429 507 K HN 0.644 nan 8.250 nan 0.000 0.434 508 L N 5.392 126.559 121.223 -0.094 0.000 2.477 508 L HA 0.127 4.467 4.340 0.001 0.000 0.272 508 L C -1.671 175.268 176.870 0.115 0.000 1.157 508 L CA -1.787 52.970 54.840 -0.139 0.000 0.889 508 L CB -0.316 41.512 42.059 -0.384 0.000 1.158 508 L HN 0.307 nan 8.230 nan 0.000 0.473 509 P HA -0.016 nan 4.420 nan 0.000 0.268 509 P C -0.483 176.983 177.300 0.276 0.000 1.208 509 P CA -0.234 63.018 63.100 0.253 0.000 0.777 509 P CB 0.588 32.471 31.700 0.304 0.000 0.875 510 K N 1.839 122.313 120.400 0.123 0.000 2.382 510 K HA 0.223 4.544 4.320 0.001 0.000 0.275 510 K C -0.170 176.337 176.600 -0.156 0.000 1.009 510 K CA -0.077 56.174 56.287 -0.060 0.000 0.970 510 K CB -0.040 32.345 32.500 -0.191 0.000 0.934 510 K HN 0.363 nan 8.250 nan 0.000 0.479 511 I N 4.904 125.322 120.570 -0.253 0.000 2.377 511 I HA 0.300 4.471 4.170 0.001 0.000 0.293 511 I C -0.763 175.096 176.117 -0.431 0.000 0.987 511 I CA -0.673 60.488 61.300 -0.232 0.000 1.185 511 I CB 0.839 38.801 38.000 -0.063 0.000 1.341 511 I HN 0.446 nan 8.210 nan 0.000 0.455 512 F N 3.972 123.914 119.950 -0.013 0.000 2.579 512 F HA 0.505 5.033 4.527 0.001 0.000 0.324 512 F C 0.086 175.826 175.800 -0.101 0.000 1.058 512 F CA -0.676 57.320 58.000 -0.006 0.000 0.944 512 F CB 1.427 40.457 39.000 0.049 0.000 1.245 512 F HN 0.369 nan 8.300 nan 0.000 0.477 513 H N 1.525 120.481 119.070 -0.190 0.000 2.589 513 H HA 0.688 5.244 4.556 0.001 0.000 0.351 513 H C -1.562 173.556 175.328 -0.350 0.000 1.074 513 H CA -0.614 55.206 56.048 -0.380 0.000 1.203 513 H CB 1.848 31.107 29.762 -0.838 0.000 1.558 513 H HN 0.567 nan 8.280 nan 0.000 0.522 514 V N 2.836 122.418 119.914 -0.554 0.000 3.046 514 V HA 0.564 4.684 4.120 0.001 0.000 0.316 514 V C -0.475 175.208 176.094 -0.686 0.000 1.104 514 V CA -0.996 60.938 62.300 -0.610 0.000 1.006 514 V CB 2.027 33.226 31.823 -1.040 0.000 1.058 514 V HN 0.772 nan 8.190 nan 0.000 0.440 515 N N 1.069 119.432 118.700 -0.562 0.000 2.594 515 N HA 0.387 5.128 4.740 0.001 0.000 0.280 515 N C -0.388 174.955 175.510 -0.279 0.000 1.156 515 N CA -0.662 52.162 53.050 -0.378 0.000 0.831 515 N CB 1.007 39.447 38.487 -0.079 0.000 1.379 515 N HN 0.930 nan 8.380 nan 0.000 0.536 516 W N 1.847 122.832 121.300 -0.525 0.000 2.937 516 W HA 0.162 4.823 4.660 0.001 0.000 0.245 516 W C 0.098 176.055 176.519 -0.937 0.000 1.306 516 W CA -0.272 56.569 57.345 -0.840 0.000 1.470 516 W CB 0.194 28.814 29.460 -1.400 0.000 1.132 516 W HN 0.434 nan 8.180 nan 0.000 0.675 517 F N 0.045 119.994 119.950 -0.002 0.000 2.735 517 F HA 0.297 4.825 4.527 0.001 0.000 0.304 517 F C 1.073 177.033 175.800 0.266 0.000 1.119 517 F CA -0.743 57.319 58.000 0.104 0.000 1.280 517 F CB -0.324 38.738 39.000 0.103 0.000 0.994 517 F HN -0.383 nan 8.300 nan 0.000 0.520 518 R N 2.042 122.693 120.500 0.253 0.000 2.491 518 R HA 0.294 4.635 4.340 0.001 0.000 0.283 518 R C -0.322 176.117 176.300 0.231 0.000 1.072 518 R CA 0.092 56.292 56.100 0.166 0.000 1.048 518 R CB 0.618 30.933 30.300 0.025 0.000 0.983 518 R HN 0.154 nan 8.270 nan 0.000 0.450 519 K N 2.125 122.602 120.400 0.128 0.000 2.281 519 K HA 0.193 4.514 4.320 0.001 0.000 0.242 519 K C -0.688 175.923 176.600 0.019 0.000 0.971 519 K CA -1.002 55.324 56.287 0.064 0.000 0.834 519 K CB 1.362 33.846 32.500 -0.027 0.000 1.181 519 K HN 0.636 nan 8.250 nan 0.000 0.435 520 D N 0.453 120.859 120.400 0.010 0.000 2.478 520 D HA 0.048 4.689 4.640 0.001 0.000 0.274 520 D C 0.768 177.059 176.300 -0.015 0.000 1.234 520 D CA -0.394 53.606 54.000 -0.000 0.000 1.069 520 D CB 0.488 41.294 40.800 0.010 0.000 1.113 520 D HN 0.244 nan 8.370 nan 0.000 0.571 521 K N -0.022 120.371 120.400 -0.012 0.000 2.103 521 K HA -0.136 4.185 4.320 0.001 0.000 0.207 521 K C 1.087 177.674 176.600 -0.022 0.000 1.048 521 K CA 1.031 57.309 56.287 -0.015 0.000 0.930 521 K CB -0.744 31.751 32.500 -0.009 0.000 0.716 521 K HN 0.404 nan 8.250 nan 0.000 0.444 522 N N 0.511 119.198 118.700 -0.022 0.000 2.571 522 N HA -0.032 4.708 4.740 0.001 0.000 0.189 522 N C 1.086 176.567 175.510 -0.050 0.000 1.154 522 N CA 1.095 54.127 53.050 -0.029 0.000 0.907 522 N CB 0.333 38.807 38.487 -0.021 0.000 0.977 522 N HN 0.533 nan 8.380 nan 0.000 0.449 523 G N 0.961 109.722 108.800 -0.064 0.000 2.157 523 G HA2 -0.299 3.662 3.960 0.001 0.000 0.248 523 G HA3 -0.299 3.662 3.960 0.001 0.000 0.248 523 G C 0.054 174.848 174.900 -0.176 0.000 0.979 523 G CA 0.067 45.099 45.100 -0.113 0.000 0.650 523 G HN 0.442 nan 8.290 nan 0.000 0.529 524 K N 0.371 120.705 120.400 -0.109 0.000 2.234 524 K HA 0.553 4.874 4.320 0.001 0.000 0.282 524 K C 0.160 176.736 176.600 -0.040 0.000 1.039 524 K CA -0.931 55.299 56.287 -0.095 0.000 0.928 524 K CB 0.135 32.623 32.500 -0.020 0.000 1.039 524 K HN -0.082 nan 8.250 nan 0.000 0.470 525 F N 4.300 124.274 119.950 0.041 0.000 2.623 525 F HA -0.061 4.467 4.527 0.001 0.000 0.383 525 F C 1.286 177.109 175.800 0.037 0.000 1.077 525 F CA 0.312 58.339 58.000 0.045 0.000 1.268 525 F CB 0.180 39.203 39.000 0.037 0.000 1.053 525 F HN 0.535 nan 8.300 nan 0.000 0.571 526 L N 3.239 124.630 121.223 0.280 0.000 2.446 526 L HA -0.002 4.339 4.340 0.001 0.000 0.219 526 L C 0.360 177.374 176.870 0.240 0.000 1.116 526 L CA 0.369 55.322 54.840 0.190 0.000 0.844 526 L CB 0.078 42.217 42.059 0.133 0.000 0.970 526 L HN 0.565 nan 8.230 nan 0.000 0.457 527 W N 1.808 123.093 121.300 -0.026 0.000 2.600 527 W HA 0.274 4.934 4.660 0.001 0.000 0.325 527 W C -1.991 174.416 176.519 -0.187 0.000 1.034 527 W CA -1.756 55.511 57.345 -0.129 0.000 1.226 527 W CB 2.050 31.394 29.460 -0.193 0.000 1.379 527 W HN -0.162 nan 8.180 nan 0.000 0.466 528 P HA 0.014 nan 4.420 nan 0.000 0.221 528 P C 0.999 177.914 177.300 -0.642 0.000 1.150 528 P CA 1.724 64.500 63.100 -0.539 0.000 0.800 528 P CB 0.540 31.932 31.700 -0.514 0.000 0.787 529 G N -0.475 107.652 108.800 -1.122 0.000 2.601 529 G HA2 -0.255 3.706 3.960 0.001 0.000 0.252 529 G HA3 -0.255 3.706 3.960 0.001 0.000 0.252 529 G C 0.049 174.568 174.900 -0.636 0.000 1.294 529 G CA -0.128 44.432 45.100 -0.900 0.000 0.912 529 G HN 0.160 nan 8.290 nan 0.000 0.574 530 F N -2.074 117.549 119.950 -0.545 0.000 2.192 530 F HA -0.272 4.256 4.527 0.001 0.000 0.317 530 F C 2.718 178.318 175.800 -0.332 0.000 1.454 530 F CA 2.752 60.529 58.000 -0.371 0.000 0.932 530 F CB -1.755 37.083 39.000 -0.271 0.000 4.108 530 F HN 1.737 nan 8.300 nan 0.000 0.138 531 G N -0.241 108.552 108.800 -0.012 0.000 2.475 531 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 531 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 531 G C 1.164 175.968 174.900 -0.161 0.000 1.125 531 G CA 1.330 46.376 45.100 -0.090 0.000 0.755 531 G HN 0.575 nan 8.290 nan 0.000 0.565 532 E N 1.178 121.236 120.200 -0.237 0.000 2.338 532 E HA -0.066 4.284 4.350 0.001 0.000 0.197 532 E C 1.984 178.511 176.600 -0.121 0.000 1.007 532 E CA 0.281 56.507 56.400 -0.291 0.000 0.849 532 E CB -0.304 29.028 29.700 -0.613 0.000 0.774 532 E HN 0.353 nan 8.360 nan 0.000 0.506 533 N N 0.974 119.539 118.700 -0.225 0.000 2.519 533 N HA -0.109 4.632 4.740 0.001 0.000 0.186 533 N C 1.661 177.076 175.510 -0.158 0.000 1.062 533 N CA 1.019 53.901 53.050 -0.280 0.000 0.910 533 N CB -0.262 37.750 38.487 -0.791 0.000 0.958 533 N HN 0.199 nan 8.380 nan 0.000 0.445 534 S N 0.598 116.199 115.700 -0.164 0.000 2.419 534 S HA -0.064 4.407 4.470 0.001 0.000 0.233 534 S C 1.801 176.210 174.600 -0.318 0.000 1.016 534 S CA 0.451 58.505 58.200 -0.244 0.000 0.974 534 S CB -0.158 62.881 63.200 -0.269 0.000 0.786 534 S HN 0.257 nan 8.310 nan 0.000 0.492 535 R N 0.626 121.040 120.500 -0.144 0.000 2.120 535 R HA 0.035 4.375 4.340 0.001 0.000 0.234 535 R C 2.110 178.393 176.300 -0.029 0.000 1.123 535 R CA 1.353 57.413 56.100 -0.066 0.000 0.975 535 R CB -0.628 29.759 30.300 0.146 0.000 0.866 535 R HN 0.360 nan 8.270 nan 0.000 0.446 536 V N 0.926 120.835 119.914 -0.008 0.000 2.446 536 V HA -0.112 4.009 4.120 0.001 0.000 0.244 536 V C 2.135 178.254 176.094 0.042 0.000 1.039 536 V CA 1.278 63.599 62.300 0.035 0.000 1.045 536 V CB -0.281 31.587 31.823 0.073 0.000 0.681 536 V HN 0.256 nan 8.190 nan 0.000 0.459 537 L N 0.237 121.438 121.223 -0.036 0.000 2.131 537 L HA -0.200 4.141 4.340 0.001 0.000 0.210 537 L C 2.555 179.375 176.870 -0.084 0.000 1.092 537 L CA 2.010 56.819 54.840 -0.053 0.000 0.759 537 L CB -0.608 41.423 42.059 -0.046 0.000 0.903 537 L HN 0.489 nan 8.230 nan 0.000 0.435 538 E N 0.013 120.031 120.200 -0.303 0.000 2.077 538 E HA -0.292 4.059 4.350 0.001 0.000 0.193 538 E C 2.155 178.819 176.600 0.106 0.000 0.989 538 E CA 1.547 57.757 56.400 -0.317 0.000 0.800 538 E CB -0.263 29.103 29.700 -0.557 0.000 0.746 538 E HN 0.478 nan 8.360 nan 0.000 0.452 539 W N 0.976 122.238 121.300 -0.063 0.000 2.381 539 W HA -0.113 4.548 4.660 0.001 0.000 0.301 539 W C 2.069 178.587 176.519 -0.002 0.000 1.205 539 W CA 1.787 59.130 57.345 -0.003 0.000 1.285 539 W CB -0.135 29.313 29.460 -0.021 0.000 1.133 539 W HN 0.067 nan 8.180 nan 0.000 0.521 540 M N -0.972 118.576 119.600 -0.086 0.000 2.108 540 M HA -0.190 4.291 4.480 0.001 0.000 0.261 540 M C 2.163 178.408 176.300 -0.092 0.000 1.066 540 M CA 1.924 56.942 55.300 -0.469 0.000 1.107 540 M CB -1.118 31.015 32.600 -0.779 0.000 1.356 540 M HN 0.045 nan 8.290 nan 0.000 0.406 541 F N 0.911 120.827 119.950 -0.056 0.000 2.043 541 F HA -0.210 4.317 4.527 0.001 0.000 0.297 541 F C 2.364 178.180 175.800 0.027 0.000 1.121 541 F CA 1.956 59.998 58.000 0.069 0.000 1.199 541 F CB -0.641 38.510 39.000 0.250 0.000 0.968 541 F HN 0.134 nan 8.300 nan 0.000 0.478 542 G N -0.103 108.876 108.800 0.298 0.000 2.440 542 G HA2 -0.241 3.719 3.960 0.001 0.000 0.218 542 G HA3 -0.241 3.719 3.960 0.001 0.000 0.218 542 G C 1.772 176.648 174.900 -0.040 0.000 1.154 542 G CA 0.514 45.697 45.100 0.139 0.000 0.767 542 G HN 0.149 nan 8.290 nan 0.000 0.552 543 R N 0.189 120.563 120.500 -0.211 0.000 2.081 543 R HA 0.076 4.416 4.340 0.001 0.000 0.235 543 R C 2.614 178.869 176.300 -0.075 0.000 1.131 543 R CA 0.676 56.627 56.100 -0.249 0.000 0.960 543 R CB -0.781 29.260 30.300 -0.432 0.000 0.856 543 R HN 0.463 nan 8.270 nan 0.000 0.436 544 I N 0.873 121.442 120.570 -0.003 0.000 2.286 544 I HA -0.221 3.950 4.170 0.001 0.000 0.248 544 I C 1.628 177.721 176.117 -0.040 0.000 1.115 544 I CA 1.269 62.563 61.300 -0.009 0.000 1.392 544 I CB -0.255 37.715 38.000 -0.049 0.000 1.065 544 I HN 0.174 nan 8.210 nan 0.000 0.418 545 E N 0.626 120.810 120.200 -0.026 0.000 2.516 545 E HA -0.020 4.331 4.350 0.001 0.000 0.199 545 E C 1.356 177.956 176.600 -0.000 0.000 1.069 545 E CA 0.503 56.908 56.400 0.007 0.000 0.876 545 E CB -0.005 29.747 29.700 0.086 0.000 0.843 545 E HN 0.627 nan 8.360 nan 0.000 0.530 546 G N 1.952 110.736 108.800 -0.026 0.000 2.136 546 G HA2 -0.308 3.652 3.960 0.001 0.000 0.242 546 G HA3 -0.308 3.652 3.960 0.001 0.000 0.242 546 G C -0.037 174.839 174.900 -0.040 0.000 0.989 546 G CA 0.067 45.144 45.100 -0.038 0.000 0.682 546 G HN 0.312 nan 8.290 nan 0.000 0.522 547 E N 0.000 120.177 120.200 -0.039 0.000 2.437 547 E HA 0.171 4.521 4.350 0.001 0.000 0.263 547 E C 0.085 176.651 176.600 -0.057 0.000 1.030 547 E CA 0.082 56.462 56.400 -0.033 0.000 0.934 547 E CB 0.377 30.064 29.700 -0.022 0.000 0.943 547 E HN 0.167 nan 8.360 nan 0.000 0.444 548 D N 1.097 121.485 120.400 -0.020 0.000 3.060 548 D HA 0.012 4.653 4.640 0.001 0.000 0.245 548 D C 0.167 176.485 176.300 0.030 0.000 1.274 548 D CA -0.002 53.991 54.000 -0.012 0.000 0.864 548 D CB -0.302 40.500 40.800 0.004 0.000 1.073 548 D HN 0.240 nan 8.370 nan 0.000 0.473 549 S N -1.307 114.417 115.700 0.041 0.000 2.575 549 S HA 0.594 5.065 4.470 0.001 0.000 0.237 549 S C 0.543 175.373 174.600 0.383 0.000 0.975 549 S CA -0.598 57.709 58.200 0.178 0.000 0.960 549 S CB 0.587 63.878 63.200 0.151 0.000 0.822 549 S HN 0.244 nan 8.310 nan 0.000 0.472 550 A N 1.521 124.490 122.820 0.249 0.000 2.423 550 A HA 0.825 5.145 4.320 0.001 0.000 0.304 550 A C -0.612 177.117 177.584 0.242 0.000 1.104 550 A CA -0.935 51.320 52.037 0.364 0.000 0.757 550 A CB 1.613 20.772 19.000 0.265 0.000 1.313 550 A HN 0.432 nan 8.150 nan 0.000 0.423 551 K N 1.188 121.766 120.400 0.297 0.000 2.422 551 K HA 0.608 4.928 4.320 0.001 0.000 0.251 551 K C -1.718 175.074 176.600 0.319 0.000 0.933 551 K CA -0.696 55.730 56.287 0.232 0.000 0.798 551 K CB 1.722 34.284 32.500 0.104 0.000 1.238 551 K HN 0.579 nan 8.250 nan 0.000 0.428 552 L N 3.552 124.933 121.223 0.264 0.000 2.331 552 L HA 0.379 4.720 4.340 0.001 0.000 0.278 552 L C -0.480 176.380 176.870 -0.017 0.000 1.106 552 L CA 0.864 55.768 54.840 0.108 0.000 0.824 552 L CB 1.042 43.144 42.059 0.071 0.000 1.142 552 L HN 0.931 nan 8.230 nan 0.000 0.443 553 T N 1.618 116.107 114.554 -0.109 0.000 2.864 553 T HA 0.602 4.953 4.350 0.001 0.000 0.289 553 T C -2.175 172.385 174.700 -0.234 0.000 1.082 553 T CA -1.515 60.497 62.100 -0.146 0.000 1.009 553 T CB 1.403 70.185 68.868 -0.143 0.000 1.234 553 T HN 0.367 nan 8.240 nan 0.000 0.526 554 P HA 0.041 nan 4.420 nan 0.000 0.218 554 P C 1.523 178.585 177.300 -0.396 0.000 1.148 554 P CA 0.872 63.795 63.100 -0.295 0.000 0.822 554 P CB -0.274 31.265 31.700 -0.267 0.000 0.784 555 I N -5.673 114.577 120.570 -0.532 0.000 3.578 555 I HA 0.408 4.579 4.170 0.001 0.000 0.295 555 I C 0.790 176.694 176.117 -0.356 0.000 1.280 555 I CA 0.186 61.102 61.300 -0.640 0.000 1.347 555 I CB -0.221 37.038 38.000 -1.235 0.000 1.051 555 I HN -0.060 nan 8.210 nan 0.000 0.460 556 G N 0.324 108.971 108.800 -0.254 0.000 2.359 556 G HA2 0.050 4.011 3.960 0.001 0.000 0.303 556 G HA3 0.050 4.011 3.960 0.001 0.000 0.303 556 G C -1.542 173.327 174.900 -0.052 0.000 1.293 556 G CA -0.954 44.121 45.100 -0.042 0.000 0.964 556 G HN 0.108 nan 8.290 nan 0.000 0.531 557 Y N -0.127 120.337 120.300 0.273 0.000 2.346 557 Y HA 0.473 5.023 4.550 0.001 0.000 0.330 557 Y C 1.326 177.450 175.900 0.374 0.000 1.178 557 Y CA 0.228 58.505 58.100 0.296 0.000 1.331 557 Y CB 1.247 39.916 38.460 0.348 0.000 1.253 557 Y HN 0.731 nan 8.280 nan 0.000 0.529 558 V N 0.525 120.668 119.914 0.381 0.000 3.019 558 V HA 0.722 4.842 4.120 0.001 0.000 0.317 558 V C -2.877 173.176 176.094 -0.069 0.000 1.094 558 V CA -3.577 58.781 62.300 0.097 0.000 1.000 558 V CB 1.790 33.604 31.823 -0.015 0.000 1.060 558 V HN 0.458 nan 8.190 nan 0.000 0.443 559 P HA 0.221 nan 4.420 nan 0.000 0.268 559 P C -0.560 176.571 177.300 -0.281 0.000 1.205 559 P CA 0.002 62.734 63.100 -0.613 0.000 0.771 559 P CB 0.272 31.248 31.700 -1.207 0.000 0.858 560 K N 1.726 122.111 120.400 -0.024 0.000 2.230 560 K HA 0.040 4.361 4.320 0.001 0.000 0.253 560 K C 0.627 177.159 176.600 -0.114 0.000 1.008 560 K CA -0.234 56.034 56.287 -0.032 0.000 0.910 560 K CB 0.214 32.744 32.500 0.050 0.000 0.994 560 K HN 0.536 nan 8.250 nan 0.000 0.495 561 E N 1.831 121.977 120.200 -0.090 0.000 2.465 561 E HA -0.175 4.175 4.350 0.001 0.000 0.260 561 E C -0.740 175.832 176.600 -0.047 0.000 0.980 561 E CA -0.033 56.315 56.400 -0.087 0.000 0.927 561 E CB 0.296 29.967 29.700 -0.047 0.000 0.934 561 E HN 0.535 nan 8.360 nan 0.000 0.459 562 D N 1.588 121.959 120.400 -0.048 0.000 2.911 562 D HA -0.265 4.375 4.640 0.001 0.000 0.199 562 D C 0.930 177.241 176.300 0.017 0.000 1.041 562 D CA 1.401 55.397 54.000 -0.007 0.000 1.013 562 D CB -1.413 39.393 40.800 0.010 0.000 1.093 562 D HN 0.586 nan 8.370 nan 0.000 0.431 563 A N -0.180 122.647 122.820 0.013 0.000 1.970 563 A HA 0.127 4.448 4.320 0.001 0.000 0.216 563 A C 1.136 178.787 177.584 0.112 0.000 1.170 563 A CA 0.454 52.550 52.037 0.099 0.000 0.645 563 A CB 0.107 19.219 19.000 0.186 0.000 0.816 563 A HN 0.188 nan 8.150 nan 0.000 0.447 564 L N 0.943 122.165 121.223 -0.002 0.000 2.380 564 L HA 0.206 4.547 4.340 0.001 0.000 0.273 564 L C 0.149 177.054 176.870 0.057 0.000 1.138 564 L CA -0.210 54.636 54.840 0.011 0.000 0.832 564 L CB 0.376 42.387 42.059 -0.080 0.000 1.124 564 L HN 0.331 nan 8.230 nan 0.000 0.454 565 N N 4.895 123.641 118.700 0.076 0.000 2.439 565 N HA 0.124 4.865 4.740 0.001 0.000 0.243 565 N C -0.250 175.309 175.510 0.082 0.000 1.088 565 N CA 0.100 53.191 53.050 0.069 0.000 0.940 565 N CB 0.169 38.690 38.487 0.057 0.000 1.180 565 N HN 0.637 nan 8.380 nan 0.000 0.505 566 L N 2.389 123.661 121.223 0.081 0.000 2.791 566 L HA 0.256 4.597 4.340 0.001 0.000 0.239 566 L C 0.353 177.247 176.870 0.040 0.000 1.203 566 L CA -0.225 54.668 54.840 0.087 0.000 1.002 566 L CB -0.171 41.956 42.059 0.113 0.000 1.295 566 L HN 0.223 nan 8.230 nan 0.000 0.504 567 K N 0.550 120.967 120.400 0.029 0.000 2.322 567 K HA 0.421 4.742 4.320 0.001 0.000 0.283 567 K C 1.181 177.779 176.600 -0.004 0.000 1.042 567 K CA 0.537 56.833 56.287 0.016 0.000 0.958 567 K CB 0.915 33.428 32.500 0.021 0.000 0.984 567 K HN 0.206 nan 8.250 nan 0.000 0.473 568 G N 1.703 110.496 108.800 -0.011 0.000 2.176 568 G HA2 -0.259 3.701 3.960 0.001 0.000 0.253 568 G HA3 -0.259 3.701 3.960 0.001 0.000 0.253 568 G C 0.262 175.134 174.900 -0.047 0.000 0.979 568 G CA 0.192 45.275 45.100 -0.028 0.000 0.641 568 G HN 0.459 nan 8.290 nan 0.000 0.530 569 L N -1.585 119.612 121.223 -0.043 0.000 2.638 569 L HA 0.722 5.063 4.340 0.001 0.000 0.205 569 L C 2.332 179.187 176.870 -0.024 0.000 1.696 569 L CA 0.398 55.203 54.840 -0.059 0.000 3.037 569 L CB -0.216 41.795 42.059 -0.080 0.000 2.844 569 L HN 0.978 nan 8.230 nan 0.000 0.836 570 G N -0.063 108.736 108.800 -0.002 0.000 2.259 570 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 570 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 570 G C 0.319 175.228 174.900 0.015 0.000 1.001 570 G CA 0.321 45.429 45.100 0.013 0.000 0.627 570 G HN 0.626 nan 8.290 nan 0.000 0.501 571 D N 0.975 121.377 120.400 0.003 0.000 2.370 571 D HA 0.340 4.980 4.640 0.001 0.000 0.230 571 D C 0.617 176.931 176.300 0.023 0.000 1.143 571 D CA -0.197 53.809 54.000 0.009 0.000 0.834 571 D CB 0.178 40.976 40.800 -0.003 0.000 0.944 571 D HN 0.312 nan 8.370 nan 0.000 0.504 572 V N 1.788 121.727 119.914 0.042 0.000 2.385 572 V HA 0.078 4.199 4.120 0.001 0.000 0.269 572 V C 0.399 176.555 176.094 0.104 0.000 1.043 572 V CA -0.857 61.495 62.300 0.088 0.000 0.906 572 V CB 0.805 32.714 31.823 0.144 0.000 0.995 572 V HN 0.162 nan 8.190 nan 0.000 0.467 573 N N 5.067 123.827 118.700 0.099 0.000 2.421 573 N HA 0.046 4.787 4.740 0.001 0.000 0.260 573 N C 0.894 176.472 175.510 0.113 0.000 1.173 573 N CA -0.040 53.063 53.050 0.087 0.000 0.960 573 N CB 1.340 39.867 38.487 0.066 0.000 1.273 573 N HN 0.493 nan 8.380 nan 0.000 0.497 574 V N 1.587 121.576 119.914 0.125 0.000 2.453 574 V HA -0.085 4.036 4.120 0.001 0.000 0.247 574 V C 1.739 177.933 176.094 0.167 0.000 1.048 574 V CA 1.204 63.609 62.300 0.175 0.000 1.049 574 V CB -0.737 31.171 31.823 0.141 0.000 0.672 574 V HN 0.482 nan 8.190 nan 0.000 0.457 575 E N 0.560 120.823 120.200 0.104 0.000 2.058 575 E HA -0.216 4.135 4.350 0.001 0.000 0.194 575 E C 2.366 179.016 176.600 0.083 0.000 0.997 575 E CA 1.779 58.230 56.400 0.085 0.000 0.801 575 E CB -0.183 29.550 29.700 0.055 0.000 0.746 575 E HN 0.699 nan 8.360 nan 0.000 0.450 576 E N 0.291 120.529 120.200 0.063 0.000 2.072 576 E HA -0.161 4.190 4.350 0.001 0.000 0.190 576 E C 2.116 178.724 176.600 0.012 0.000 0.982 576 E CA 0.451 56.871 56.400 0.034 0.000 0.803 576 E CB -0.004 29.711 29.700 0.025 0.000 0.755 576 E HN 0.084 nan 8.360 nan 0.000 0.453 577 L N -0.263 120.969 121.223 0.016 0.000 2.131 577 L HA -0.106 4.234 4.340 0.001 0.000 0.210 577 L C 1.352 178.057 176.870 -0.275 0.000 1.092 577 L CA 1.669 56.443 54.840 -0.110 0.000 0.759 577 L CB -0.170 41.837 42.059 -0.087 0.000 0.903 577 L HN 0.022 nan 8.230 nan 0.000 0.435 578 F N -0.681 119.250 119.950 -0.032 0.000 2.661 578 F HA 0.419 4.946 4.527 0.001 0.000 0.306 578 F C 1.446 177.230 175.800 -0.027 0.000 1.094 578 F CA -0.299 57.674 58.000 -0.045 0.000 1.254 578 F CB -0.335 38.622 39.000 -0.072 0.000 1.040 578 F HN 0.012 nan 8.300 nan 0.000 0.562 579 G N 1.525 110.392 108.800 0.112 0.000 2.398 579 G HA2 0.374 4.335 3.960 0.001 0.000 0.246 579 G HA3 0.374 4.335 3.960 0.001 0.000 0.246 579 G C -0.342 174.605 174.900 0.079 0.000 1.289 579 G CA -0.157 44.990 45.100 0.078 0.000 0.869 579 G HN 0.190 nan 8.290 nan 0.000 0.543 580 I N 1.811 122.431 120.570 0.083 0.000 2.411 580 I HA 0.202 4.373 4.170 0.001 0.000 0.284 580 I C 0.250 176.465 176.117 0.164 0.000 1.012 580 I CA -0.490 60.879 61.300 0.114 0.000 1.119 580 I CB 1.841 39.812 38.000 -0.048 0.000 1.261 580 I HN 0.465 nan 8.210 nan 0.000 0.448 581 S N 5.742 121.626 115.700 0.307 0.000 2.480 581 S HA 0.224 4.695 4.470 0.001 0.000 0.286 581 S C 1.027 175.840 174.600 0.354 0.000 1.180 581 S CA -0.589 57.766 58.200 0.259 0.000 1.075 581 S CB 1.374 64.699 63.200 0.208 0.000 0.996 581 S HN 0.765 nan 8.310 nan 0.000 0.487 582 K N 3.393 123.920 120.400 0.212 0.000 2.032 582 K HA -0.154 4.166 4.320 0.001 0.000 0.209 582 K C 1.327 178.042 176.600 0.190 0.000 1.048 582 K CA 2.042 58.440 56.287 0.184 0.000 0.927 582 K CB -0.228 32.331 32.500 0.099 0.000 0.712 582 K HN 0.656 nan 8.250 nan 0.000 0.441 583 E N 0.254 120.544 120.200 0.150 0.000 2.058 583 E HA -0.187 4.164 4.350 0.001 0.000 0.194 583 E C 1.647 178.307 176.600 0.100 0.000 0.997 583 E CA 1.531 57.995 56.400 0.105 0.000 0.801 583 E CB -0.428 29.322 29.700 0.083 0.000 0.746 583 E HN 0.419 nan 8.360 nan 0.000 0.450 584 F N -0.859 119.089 119.950 -0.004 0.000 2.102 584 F HA -0.173 4.354 4.527 0.001 0.000 0.298 584 F C 1.673 177.326 175.800 -0.245 0.000 1.105 584 F CA 1.498 59.407 58.000 -0.151 0.000 1.239 584 F CB -0.308 38.567 39.000 -0.208 0.000 0.991 584 F HN 0.038 nan 8.300 nan 0.000 0.474 585 W N 1.047 122.417 121.300 0.116 0.000 2.467 585 W HA -0.031 4.630 4.660 0.002 0.000 0.275 585 W C 2.378 178.860 176.519 -0.063 0.000 1.239 585 W CA 1.196 58.548 57.345 0.013 0.000 1.266 585 W CB -0.440 29.077 29.460 0.096 0.000 1.112 585 W HN 0.067 nan 8.180 nan 0.000 0.576 586 E N 0.431 120.704 120.200 0.121 0.000 2.077 586 E HA -0.258 4.092 4.350 0.001 0.000 0.193 586 E C 2.051 178.625 176.600 -0.043 0.000 0.989 586 E CA 1.327 57.754 56.400 0.045 0.000 0.800 586 E CB -0.171 29.550 29.700 0.034 0.000 0.746 586 E HN 0.194 nan 8.360 nan 0.000 0.452 587 K N 0.721 121.033 120.400 -0.147 0.000 2.103 587 K HA -0.199 4.122 4.320 0.001 0.000 0.204 587 K C 2.062 178.495 176.600 -0.278 0.000 1.052 587 K CA 1.285 57.443 56.287 -0.214 0.000 0.945 587 K CB 0.121 32.448 32.500 -0.288 0.000 0.722 587 K HN -0.095 nan 8.250 nan 0.000 0.443 588 E N 0.484 120.420 120.200 -0.440 0.000 2.028 588 E HA -0.145 4.206 4.350 0.001 0.000 0.191 588 E C 1.788 178.317 176.600 -0.117 0.000 0.988 588 E CA 1.131 57.257 56.400 -0.457 0.000 0.799 588 E CB -0.334 28.882 29.700 -0.806 0.000 0.755 588 E HN 0.104 nan 8.360 nan 0.000 0.447 589 V N 0.461 120.393 119.914 0.029 0.000 2.407 589 V HA -0.240 3.881 4.120 0.001 0.000 0.248 589 V C 2.247 178.389 176.094 0.081 0.000 1.055 589 V CA 2.416 64.795 62.300 0.131 0.000 1.049 589 V CB -0.340 31.578 31.823 0.158 0.000 0.662 589 V HN 0.389 nan 8.190 nan 0.000 0.455 590 E N -0.016 120.197 120.200 0.022 0.000 2.077 590 E HA -0.243 4.107 4.350 0.001 0.000 0.193 590 E C 2.265 178.884 176.600 0.031 0.000 0.989 590 E CA 1.752 58.163 56.400 0.018 0.000 0.800 590 E CB -0.379 29.315 29.700 -0.009 0.000 0.746 590 E HN 0.616 nan 8.360 nan 0.000 0.452 591 E N 0.371 120.575 120.200 0.007 0.000 2.072 591 E HA -0.144 4.207 4.350 0.001 0.000 0.191 591 E C 2.167 178.849 176.600 0.137 0.000 0.985 591 E CA 1.094 57.519 56.400 0.042 0.000 0.801 591 E CB -0.185 29.499 29.700 -0.025 0.000 0.750 591 E HN 0.427 nan 8.360 nan 0.000 0.452 592 I N 1.455 122.113 120.570 0.146 0.000 2.163 592 I HA -0.283 3.887 4.170 0.001 0.000 0.243 592 I C 2.486 178.735 176.117 0.219 0.000 1.085 592 I CA 1.493 62.933 61.300 0.232 0.000 1.347 592 I CB -0.409 37.733 38.000 0.237 0.000 1.044 592 I HN 0.102 nan 8.210 nan 0.000 0.408 593 D N 1.411 121.911 120.400 0.166 0.000 2.127 593 D HA -0.246 4.394 4.640 0.001 0.000 0.190 593 D C 2.112 178.460 176.300 0.079 0.000 1.000 593 D CA 1.806 55.875 54.000 0.116 0.000 0.839 593 D CB -0.020 40.825 40.800 0.074 0.000 0.955 593 D HN 0.163 nan 8.370 nan 0.000 0.446 594 K N -1.330 119.114 120.400 0.074 0.000 2.148 594 K HA -0.151 4.170 4.320 0.001 0.000 0.204 594 K C 2.166 178.789 176.600 0.038 0.000 1.050 594 K CA 0.915 57.229 56.287 0.045 0.000 0.942 594 K CB -0.331 32.195 32.500 0.043 0.000 0.724 594 K HN 0.272 nan 8.250 nan 0.000 0.446 595 Y N 1.222 121.476 120.300 -0.076 0.000 2.133 595 Y HA -0.177 4.374 4.550 0.001 0.000 0.287 595 Y C 1.579 177.394 175.900 -0.142 0.000 1.134 595 Y CA 1.459 59.440 58.100 -0.198 0.000 1.133 595 Y CB -0.186 37.948 38.460 -0.542 0.000 0.987 595 Y HN -0.102 nan 8.280 nan 0.000 0.502 596 L N 0.372 121.532 121.223 -0.105 0.000 2.056 596 L HA -0.190 4.151 4.340 0.001 0.000 0.207 596 L C 2.605 179.389 176.870 -0.143 0.000 1.078 596 L CA 1.905 56.659 54.840 -0.144 0.000 0.749 596 L CB -0.769 41.326 42.059 0.060 0.000 0.901 596 L HN 0.354 nan 8.230 nan 0.000 0.433 597 E N 0.610 120.763 120.200 -0.079 0.000 2.058 597 E HA -0.313 4.037 4.350 0.001 0.000 0.194 597 E C 1.750 178.288 176.600 -0.103 0.000 0.997 597 E CA 1.987 58.345 56.400 -0.070 0.000 0.801 597 E CB 0.009 29.687 29.700 -0.037 0.000 0.746 597 E HN 0.455 nan 8.360 nan 0.000 0.450 598 D N -0.329 119.992 120.400 -0.131 0.000 2.085 598 D HA -0.160 4.481 4.640 0.001 0.000 0.199 598 D C 1.994 178.184 176.300 -0.184 0.000 0.981 598 D CA 1.294 55.214 54.000 -0.133 0.000 0.834 598 D CB -0.032 40.700 40.800 -0.114 0.000 0.992 598 D HN 0.100 nan 8.370 nan 0.000 0.457 599 Q N -0.570 119.037 119.800 -0.321 0.000 2.331 599 Q HA 0.075 4.416 4.340 0.001 0.000 0.203 599 Q C 1.947 177.804 176.000 -0.238 0.000 0.944 599 Q CA 0.478 56.072 55.803 -0.349 0.000 0.892 599 Q CB 0.948 29.270 28.738 -0.692 0.000 0.983 599 Q HN 0.339 nan 8.270 nan 0.000 0.482 600 V N 0.325 120.112 119.914 -0.212 0.000 3.090 600 V HA -0.040 4.080 4.120 0.001 0.000 0.237 600 V C 0.969 176.994 176.094 -0.114 0.000 1.209 600 V CA 0.700 62.916 62.300 -0.140 0.000 1.209 600 V CB -0.581 31.159 31.823 -0.138 0.000 0.971 600 V HN 0.399 nan 8.190 nan 0.000 0.477 601 N N 2.917 121.555 118.700 -0.104 0.000 1.320 601 N HA -0.438 4.303 4.740 0.001 0.000 0.139 601 N C 1.337 176.812 175.510 -0.058 0.000 0.550 601 N CA 2.195 55.200 53.050 -0.074 0.000 1.036 601 N CB -1.771 36.674 38.487 -0.071 0.000 1.344 601 N HN 0.513 nan 8.380 nan 0.000 0.468 602 A N -1.185 121.604 122.820 -0.053 0.000 2.125 602 A HA -0.070 4.251 4.320 0.001 0.000 0.219 602 A C 1.295 178.855 177.584 -0.039 0.000 1.156 602 A CA 1.867 53.881 52.037 -0.038 0.000 0.671 602 A CB -0.491 18.486 19.000 -0.038 0.000 0.794 602 A HN 0.624 nan 8.150 nan 0.000 0.459 603 D N -0.927 119.437 120.400 -0.059 0.000 2.340 603 D HA 0.132 4.773 4.640 0.001 0.000 0.217 603 D C -0.023 176.228 176.300 -0.080 0.000 1.081 603 D CA -0.116 53.845 54.000 -0.065 0.000 0.842 603 D CB 0.107 40.859 40.800 -0.080 0.000 0.934 603 D HN 0.338 nan 8.370 nan 0.000 0.511 604 L N 2.457 123.638 121.223 -0.070 0.000 2.361 604 L HA 0.250 4.591 4.340 0.001 0.000 0.278 604 L C -2.307 174.556 176.870 -0.011 0.000 1.113 604 L CA -1.258 53.540 54.840 -0.071 0.000 0.849 604 L CB 0.444 42.473 42.059 -0.051 0.000 1.155 604 L HN -0.276 nan 8.230 nan 0.000 0.452 605 P HA -0.030 nan 4.420 nan 0.000 0.269 605 P C -0.110 177.269 177.300 0.133 0.000 1.209 605 P CA 0.158 63.304 63.100 0.076 0.000 0.776 605 P CB 0.297 32.045 31.700 0.080 0.000 0.876 606 Y N 1.996 122.314 120.300 0.030 0.000 2.224 606 Y HA -0.249 4.301 4.550 0.001 0.000 0.289 606 Y C 1.788 177.717 175.900 0.048 0.000 1.146 606 Y CA 1.674 59.793 58.100 0.031 0.000 1.182 606 Y CB -0.033 38.443 38.460 0.027 0.000 0.983 606 Y HN 0.376 nan 8.280 nan 0.000 0.524 607 E N 0.136 120.508 120.200 0.286 0.000 2.153 607 E HA -0.197 4.154 4.350 0.001 0.000 0.194 607 E C 1.937 178.610 176.600 0.121 0.000 0.988 607 E CA 1.476 58.002 56.400 0.210 0.000 0.811 607 E CB -0.200 29.639 29.700 0.230 0.000 0.746 607 E HN 0.457 nan 8.360 nan 0.000 0.466 608 I N 0.807 121.449 120.570 0.120 0.000 2.286 608 I HA -0.138 4.033 4.170 0.001 0.000 0.245 608 I C 2.298 178.467 176.117 0.086 0.000 1.104 608 I CA 1.072 62.464 61.300 0.152 0.000 1.397 608 I CB -1.026 37.070 38.000 0.160 0.000 1.072 608 I HN 0.159 nan 8.210 nan 0.000 0.417 609 E N 1.501 121.698 120.200 -0.005 0.000 2.110 609 E HA -0.249 4.101 4.350 0.001 0.000 0.193 609 E C 2.329 178.831 176.600 -0.163 0.000 0.988 609 E CA 1.067 57.417 56.400 -0.084 0.000 0.804 609 E CB -0.044 29.564 29.700 -0.153 0.000 0.745 609 E HN 0.369 nan 8.360 nan 0.000 0.458 610 R N 0.403 120.778 120.500 -0.208 0.000 2.083 610 R HA -0.149 4.192 4.340 0.001 0.000 0.237 610 R C 2.135 178.336 176.300 -0.164 0.000 1.137 610 R CA 1.605 57.591 56.100 -0.191 0.000 0.951 610 R CB -0.003 30.222 30.300 -0.125 0.000 0.851 610 R HN 0.035 nan 8.270 nan 0.000 0.434 611 E N 0.800 120.903 120.200 -0.162 0.000 2.085 611 E HA -0.233 4.118 4.350 0.001 0.000 0.194 611 E C 1.995 178.244 176.600 -0.586 0.000 0.994 611 E CA 1.037 57.236 56.400 -0.335 0.000 0.801 611 E CB -0.414 29.099 29.700 -0.312 0.000 0.743 611 E HN 0.296 nan 8.360 nan 0.000 0.453 612 L N 1.191 122.117 121.223 -0.495 0.000 2.042 612 L HA -0.184 4.157 4.340 0.001 0.000 0.210 612 L C 2.401 179.149 176.870 -0.203 0.000 1.076 612 L CA 1.718 56.359 54.840 -0.331 0.000 0.749 612 L CB -0.134 41.922 42.059 -0.006 0.000 0.893 612 L HN -0.046 nan 8.230 nan 0.000 0.432 613 R N -0.804 119.593 120.500 -0.172 0.000 2.075 613 R HA -0.095 4.246 4.340 0.001 0.000 0.232 613 R C 2.295 178.509 176.300 -0.142 0.000 1.126 613 R CA 1.222 57.245 56.100 -0.130 0.000 0.963 613 R CB -0.642 29.584 30.300 -0.124 0.000 0.858 613 R HN 0.539 nan 8.270 nan 0.000 0.435 614 A N 1.365 124.075 122.820 -0.183 0.000 1.883 614 A HA -0.196 4.125 4.320 0.001 0.000 0.217 614 A C 2.073 179.533 177.584 -0.207 0.000 1.186 614 A CA 1.292 53.217 52.037 -0.188 0.000 0.624 614 A CB -0.595 18.277 19.000 -0.213 0.000 0.822 614 A HN 0.248 nan 8.150 nan 0.000 0.444 615 L N 0.020 121.085 121.223 -0.263 0.000 2.017 615 L HA -0.143 4.198 4.340 0.001 0.000 0.208 615 L C 2.303 179.108 176.870 -0.109 0.000 1.073 615 L CA 2.755 57.469 54.840 -0.211 0.000 0.745 615 L CB -0.733 41.203 42.059 -0.206 0.000 0.894 615 L HN 0.482 nan 8.230 nan 0.000 0.432 616 K N -1.083 119.269 120.400 -0.079 0.000 2.113 616 K HA -0.297 4.024 4.320 0.001 0.000 0.208 616 K C 2.241 178.814 176.600 -0.044 0.000 1.047 616 K CA 1.942 58.209 56.287 -0.032 0.000 0.928 616 K CB -0.127 32.357 32.500 -0.027 0.000 0.716 616 K HN 0.449 nan 8.250 nan 0.000 0.446 617 Q N 0.627 120.384 119.800 -0.071 0.000 2.083 617 Q HA -0.066 4.274 4.340 0.001 0.000 0.198 617 Q C 1.872 177.831 176.000 -0.069 0.000 0.969 617 Q CA 1.488 57.252 55.803 -0.064 0.000 0.838 617 Q CB 0.072 28.768 28.738 -0.069 0.000 0.900 617 Q HN 0.250 nan 8.270 nan 0.000 0.436 618 R N -0.273 120.168 120.500 -0.099 0.000 2.105 618 R HA -0.104 4.237 4.340 0.001 0.000 0.239 618 R C 2.278 178.527 176.300 -0.086 0.000 1.135 618 R CA 1.607 57.641 56.100 -0.110 0.000 0.967 618 R CB -0.434 29.767 30.300 -0.166 0.000 0.861 618 R HN 0.352 nan 8.270 nan 0.000 0.442 619 I N 0.722 121.252 120.570 -0.066 0.000 2.252 619 I HA -0.271 3.900 4.170 0.001 0.000 0.245 619 I C 2.576 178.691 176.117 -0.003 0.000 1.102 619 I CA 1.463 62.751 61.300 -0.020 0.000 1.385 619 I CB -0.324 37.701 38.000 0.041 0.000 1.064 619 I HN 0.212 nan 8.210 nan 0.000 0.414 620 S N 0.201 115.894 115.700 -0.010 0.000 2.419 620 S HA -0.201 4.269 4.470 0.001 0.000 0.233 620 S C 1.845 176.438 174.600 -0.011 0.000 1.016 620 S CA 0.888 59.084 58.200 -0.006 0.000 0.974 620 S CB -0.266 62.927 63.200 -0.012 0.000 0.786 620 S HN 0.420 nan 8.310 nan 0.000 0.492 621 Q N 0.502 120.288 119.800 -0.023 0.000 2.425 621 Q HA 0.339 4.679 4.340 0.001 0.000 0.204 621 Q C 0.803 176.791 176.000 -0.020 0.000 0.933 621 Q CA 0.111 55.900 55.803 -0.023 0.000 0.939 621 Q CB -0.328 28.390 28.738 -0.033 0.000 1.044 621 Q HN 0.680 nan 8.270 nan 0.000 0.513 622 M N 0.000 119.590 119.600 -0.017 0.000 2.572 622 M HA 0.000 4.481 4.480 0.001 0.000 0.227 622 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 622 M CB 0.000 32.600 32.600 0.000 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411