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 1ya4_1_B DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.623 174.600 0.038 0.000 1.055 21 S CA 0.000 58.196 58.200 -0.006 0.000 1.107 21 S CB 0.000 63.210 63.200 0.017 0.000 0.593 22 S N 2.497 118.247 115.700 0.084 0.000 2.626 22 S HA 0.457 4.928 4.470 0.000 0.000 0.257 22 S C -2.505 172.214 174.600 0.199 0.000 1.288 22 S CA -0.466 57.814 58.200 0.134 0.000 0.980 22 S CB -0.862 62.384 63.200 0.075 0.000 0.975 22 S HN 0.536 nan 8.310 nan 0.000 0.577 23 P HA -0.095 nan 4.420 nan 0.000 0.261 23 P C -2.612 174.706 177.300 0.030 0.000 1.101 23 P CA -0.077 63.053 63.100 0.050 0.000 0.751 23 P CB -0.794 30.903 31.700 -0.005 0.000 0.683 24 P HA 0.239 nan 4.420 nan 0.000 0.284 24 P C -0.831 176.481 177.300 0.020 0.000 1.253 24 P CA -0.033 62.966 63.100 -0.169 0.000 0.800 24 P CB 0.869 32.212 31.700 -0.594 0.000 0.961 25 V N 4.111 124.101 119.914 0.127 0.000 2.443 25 V HA 0.147 4.267 4.120 0.000 0.000 0.272 25 V C 0.205 176.378 176.094 0.131 0.000 1.002 25 V CA -0.591 61.810 62.300 0.169 0.000 0.840 25 V CB 1.562 33.459 31.823 0.122 0.000 1.042 25 V HN 0.262 nan 8.190 nan 0.000 0.446 26 V N 2.423 122.415 119.914 0.129 0.000 3.083 26 V HA 0.370 4.490 4.120 0.000 0.000 0.306 26 V C 0.069 176.120 176.094 -0.073 0.000 1.077 26 V CA -0.189 62.020 62.300 -0.152 0.000 1.073 26 V CB 1.772 33.168 31.823 -0.712 0.000 1.081 26 V HN 0.795 nan 8.190 nan 0.000 0.474 27 D N 1.331 121.644 120.400 -0.144 0.000 2.471 27 D HA 0.384 5.024 4.640 0.000 0.000 0.245 27 D C -0.036 176.202 176.300 -0.103 0.000 1.116 27 D CA -0.152 53.813 54.000 -0.058 0.000 0.853 27 D CB 1.739 42.507 40.800 -0.052 0.000 1.123 27 D HN 0.798 nan 8.370 nan 0.000 0.540 28 T N -0.724 113.819 114.554 -0.018 0.000 2.893 28 T HA 0.297 4.648 4.350 0.000 0.000 0.279 28 T C 1.636 176.235 174.700 -0.169 0.000 0.991 28 T CA -0.541 61.528 62.100 -0.051 0.000 0.950 28 T CB 0.850 69.836 68.868 0.196 0.000 1.223 28 T HN 0.001 nan 8.240 nan 0.000 0.585 29 V N 1.052 120.796 119.914 -0.283 0.000 2.343 29 V HA -0.119 4.001 4.120 0.000 0.000 0.247 29 V C 2.431 178.257 176.094 -0.446 0.000 1.051 29 V CA 1.611 63.677 62.300 -0.390 0.000 1.036 29 V CB -1.136 30.362 31.823 -0.541 0.000 0.654 29 V HN 0.848 nan 8.190 nan 0.000 0.451 30 H N 0.114 118.976 119.070 -0.348 0.000 2.547 30 H HA 0.439 4.995 4.556 0.000 0.000 0.266 30 H C 1.033 175.572 175.328 -1.315 0.000 0.988 30 H CA 0.934 56.562 56.048 -0.700 0.000 1.147 30 H CB 0.140 29.479 29.762 -0.705 0.000 1.365 30 H HN 0.539 nan 8.280 nan 0.000 0.589 31 G N 0.316 108.644 108.800 -0.786 0.000 2.351 31 G HA2 -0.061 3.899 3.960 0.000 0.000 0.353 31 G HA3 -0.061 3.899 3.960 0.000 0.000 0.353 31 G C -1.231 173.723 174.900 0.089 0.000 1.358 31 G CA -1.166 43.552 45.100 -0.637 0.000 0.995 31 G HN 0.062 nan 8.290 nan 0.000 0.611 32 K N -0.705 119.910 120.400 0.357 0.000 2.326 32 K HA 0.530 4.850 4.320 0.000 0.000 0.275 32 K C -0.258 176.701 176.600 0.599 0.000 1.018 32 K CA -0.343 56.181 56.287 0.396 0.000 0.962 32 K CB 1.630 34.294 32.500 0.273 0.000 0.953 32 K HN 0.349 nan 8.250 nan 0.000 0.475 33 V N 4.112 124.285 119.914 0.431 0.000 2.531 33 V HA 0.204 4.324 4.120 0.000 0.000 0.301 33 V C -0.817 175.512 176.094 0.391 0.000 1.034 33 V CA -0.977 61.574 62.300 0.419 0.000 0.865 33 V CB 1.699 33.826 31.823 0.507 0.000 0.995 33 V HN 0.555 nan 8.190 nan 0.000 0.424 34 L N 5.030 126.408 121.223 0.259 0.000 2.282 34 L HA 0.856 5.196 4.340 0.000 0.000 0.288 34 L C 0.358 177.230 176.870 0.004 0.000 1.033 34 L CA 0.586 55.510 54.840 0.140 0.000 0.807 34 L CB 0.919 43.014 42.059 0.058 0.000 1.209 34 L HN 0.749 nan 8.230 nan 0.000 0.423 35 G N 4.981 113.603 108.800 -0.296 0.000 3.122 35 G HA2 0.614 4.574 3.960 0.000 0.000 0.180 35 G HA3 0.614 4.574 3.960 0.000 0.000 0.180 35 G C -1.243 173.329 174.900 -0.547 0.000 1.279 35 G CA -0.530 44.132 45.100 -0.729 0.000 0.987 35 G HN 0.705 nan 8.290 nan 0.000 0.589 36 K N -0.902 119.127 120.400 -0.617 0.000 2.535 36 K HA 0.519 4.839 4.320 0.000 0.000 0.251 36 K C -1.803 174.592 176.600 -0.342 0.000 0.942 36 K CA -0.751 55.316 56.287 -0.367 0.000 0.798 36 K CB 1.850 34.223 32.500 -0.211 0.000 1.267 36 K HN 0.251 nan 8.250 nan 0.000 0.434 37 F N 2.143 122.032 119.950 -0.102 0.000 2.467 37 F HA 0.272 4.799 4.527 0.000 0.000 0.362 37 F C -0.145 175.648 175.800 -0.011 0.000 1.090 37 F CA -0.324 57.651 58.000 -0.042 0.000 1.202 37 F CB 1.493 40.485 39.000 -0.013 0.000 1.113 37 F HN 0.157 nan 8.300 nan 0.000 0.541 38 V N 3.357 123.413 119.914 0.236 0.000 2.531 38 V HA 0.328 4.448 4.120 0.000 0.000 0.301 38 V C -0.415 175.776 176.094 0.161 0.000 1.034 38 V CA -0.781 61.616 62.300 0.161 0.000 0.865 38 V CB 1.815 33.714 31.823 0.128 0.000 0.995 38 V HN 0.705 nan 8.190 nan 0.000 0.424 39 S N 4.315 120.093 115.700 0.130 0.000 2.578 39 S HA 0.750 5.221 4.470 0.000 0.000 0.283 39 S C -0.589 174.082 174.600 0.118 0.000 1.195 39 S CA -0.401 57.871 58.200 0.121 0.000 1.050 39 S CB 1.589 64.851 63.200 0.102 0.000 1.012 39 S HN 0.552 nan 8.310 nan 0.000 0.511 40 L N 2.387 123.689 121.223 0.131 0.000 2.334 40 L HA 0.562 4.902 4.340 0.000 0.000 0.273 40 L C -0.114 176.911 176.870 0.258 0.000 1.013 40 L CA -0.701 54.226 54.840 0.146 0.000 0.816 40 L CB 1.365 43.428 42.059 0.006 0.000 1.278 40 L HN 0.618 nan 8.230 nan 0.000 0.431 41 E N 3.070 123.416 120.200 0.243 0.000 2.765 41 E HA 0.277 4.627 4.350 0.000 0.000 0.256 41 E C 0.978 177.749 176.600 0.284 0.000 0.935 41 E CA 1.383 57.921 56.400 0.230 0.000 0.954 41 E CB -0.055 29.776 29.700 0.219 0.000 0.908 41 E HN 0.900 nan 8.360 nan 0.000 0.500 42 G N 3.725 112.608 108.800 0.138 0.000 2.198 42 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 42 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 42 G C -0.263 174.490 174.900 -0.245 0.000 1.025 42 G CA 0.307 45.389 45.100 -0.030 0.000 0.769 42 G HN 0.353 nan 8.290 nan 0.000 0.507 43 F N -0.631 119.307 119.950 -0.019 0.000 2.536 43 F HA 0.664 5.191 4.527 0.000 0.000 0.322 43 F C 1.100 176.894 175.800 -0.010 0.000 1.144 43 F CA -0.165 57.817 58.000 -0.030 0.000 0.924 43 F CB 1.466 40.447 39.000 -0.032 0.000 1.181 43 F HN 0.126 nan 8.300 nan 0.000 0.438 44 A N 2.152 125.027 122.820 0.092 0.000 1.824 44 A HA -0.156 4.164 4.320 0.000 0.000 0.215 44 A C 1.060 178.693 177.584 0.083 0.000 1.209 44 A CA 1.016 53.088 52.037 0.059 0.000 0.614 44 A CB -0.698 18.313 19.000 0.017 0.000 0.852 44 A HN 0.672 nan 8.150 nan 0.000 0.447 45 Q N 1.619 121.481 119.800 0.102 0.000 2.247 45 Q HA 0.174 4.515 4.340 0.000 0.000 0.288 45 Q C -2.324 173.749 176.000 0.122 0.000 1.079 45 Q CA -1.471 54.388 55.803 0.094 0.000 0.932 45 Q CB 0.249 29.057 28.738 0.117 0.000 1.133 45 Q HN 0.420 nan 8.270 nan 0.000 0.377 46 P HA 0.082 nan 4.420 nan 0.000 0.278 46 P C -0.983 176.496 177.300 0.298 0.000 1.238 46 P CA -0.356 62.836 63.100 0.154 0.000 0.794 46 P CB 0.999 32.728 31.700 0.050 0.000 0.955 47 V N 2.147 122.223 119.914 0.271 0.000 2.498 47 V HA 0.370 4.490 4.120 0.000 0.000 0.279 47 V C 0.903 177.149 176.094 0.254 0.000 1.048 47 V CA -0.590 61.866 62.300 0.259 0.000 0.967 47 V CB 0.710 32.645 31.823 0.187 0.000 0.988 47 V HN 0.730 nan 8.190 nan 0.000 0.473 48 A N 6.700 129.634 122.820 0.190 0.000 2.354 48 A HA 0.690 5.010 4.320 0.000 0.000 0.281 48 A C -0.366 177.199 177.584 -0.031 0.000 1.174 48 A CA -0.191 51.783 52.037 -0.106 0.000 0.828 48 A CB -0.166 18.858 19.000 0.040 0.000 1.099 48 A HN 0.777 nan 8.150 nan 0.000 0.516 49 I N 2.796 123.178 120.570 -0.313 0.000 2.389 49 I HA 0.379 4.549 4.170 0.000 0.000 0.288 49 I C -1.294 174.511 176.117 -0.521 0.000 0.999 49 I CA -0.255 60.870 61.300 -0.291 0.000 1.129 49 I CB 1.440 39.323 38.000 -0.195 0.000 1.288 49 I HN 0.533 nan 8.210 nan 0.000 0.444 50 F N 6.769 126.570 119.950 -0.248 0.000 2.449 50 F HA 0.531 5.058 4.527 0.000 0.000 0.342 50 F C -0.291 175.361 175.800 -0.247 0.000 1.127 50 F CA -0.662 57.238 58.000 -0.166 0.000 0.975 50 F CB 1.254 40.246 39.000 -0.013 0.000 1.146 50 F HN 0.102 nan 8.300 nan 0.000 0.444 51 L N 2.948 124.101 121.223 -0.117 0.000 2.305 51 L HA 0.668 5.008 4.340 0.000 0.000 0.284 51 L C 0.613 177.411 176.870 -0.119 0.000 1.013 51 L CA -0.826 53.904 54.840 -0.184 0.000 0.819 51 L CB 1.520 43.325 42.059 -0.423 0.000 1.227 51 L HN 0.918 nan 8.230 nan 0.000 0.417 52 G N 3.649 112.420 108.800 -0.048 0.000 2.203 52 G HA2 -0.208 3.752 3.960 0.000 0.000 0.231 52 G HA3 -0.208 3.752 3.960 0.000 0.000 0.231 52 G C -0.197 174.804 174.900 0.168 0.000 1.058 52 G CA -0.594 44.492 45.100 -0.024 0.000 0.781 52 G HN 0.509 nan 8.290 nan 0.000 0.496 53 I N 2.228 122.868 120.570 0.118 0.000 2.396 53 I HA 0.234 4.404 4.170 0.000 0.000 0.289 53 I C -1.395 174.737 176.117 0.025 0.000 1.056 53 I CA -2.064 59.273 61.300 0.062 0.000 1.365 53 I CB 1.119 39.093 38.000 -0.042 0.000 1.407 53 I HN 0.002 nan 8.210 nan 0.000 0.509 54 P HA 0.030 nan 4.420 nan 0.000 0.276 54 P C -0.205 176.950 177.300 -0.242 0.000 1.243 54 P CA -0.031 62.873 63.100 -0.326 0.000 0.768 54 P CB 0.513 32.030 31.700 -0.304 0.000 0.856 55 F N 1.625 121.333 119.950 -0.404 0.000 2.682 55 F HA 0.729 5.256 4.527 0.000 0.000 0.308 55 F C 0.022 175.770 175.800 -0.088 0.000 1.093 55 F CA -0.809 56.965 58.000 -0.378 0.000 1.244 55 F CB 0.262 38.979 39.000 -0.473 0.000 1.052 55 F HN 0.370 nan 8.300 nan 0.000 0.573 56 A N 0.683 123.152 122.820 -0.585 0.000 2.610 56 A HA 0.484 4.804 4.320 0.000 0.000 0.291 56 A C -1.305 176.047 177.584 -0.386 0.000 1.086 56 A CA -1.123 50.666 52.037 -0.412 0.000 0.677 56 A CB 0.918 19.582 19.000 -0.559 0.000 1.278 56 A HN 0.210 nan 8.150 nan 0.000 0.414 57 K N 0.971 121.226 120.400 -0.243 0.000 2.298 57 K HA 0.422 4.742 4.320 0.000 0.000 0.280 57 K C -2.416 174.046 176.600 -0.231 0.000 1.032 57 K CA -1.454 54.710 56.287 -0.204 0.000 0.958 57 K CB 0.331 32.754 32.500 -0.128 0.000 0.978 57 K HN 0.339 nan 8.250 nan 0.000 0.472 58 P HA -0.059 nan 4.420 nan 0.000 0.260 58 P C -2.378 174.825 177.300 -0.161 0.000 1.172 58 P CA -0.707 62.274 63.100 -0.198 0.000 0.760 58 P CB 0.187 31.803 31.700 -0.139 0.000 0.773 59 P HA 0.075 nan 4.420 nan 0.000 0.226 59 P C -0.359 176.853 177.300 -0.147 0.000 1.758 59 P CA 0.303 63.310 63.100 -0.154 0.000 0.896 59 P CB 0.078 31.687 31.700 -0.152 0.000 1.784 60 L N -0.671 120.477 121.223 -0.124 0.000 2.488 60 L HA 0.487 4.827 4.340 0.000 0.000 0.249 60 L C 1.831 178.637 176.870 -0.107 0.000 1.151 60 L CA 0.006 54.783 54.840 -0.105 0.000 0.806 60 L CB -0.361 41.649 42.059 -0.082 0.000 1.261 60 L HN 0.240 nan 8.230 nan 0.000 0.484 61 G N 0.947 109.692 108.800 -0.092 0.000 2.672 61 G HA2 -0.301 3.659 3.960 0.000 0.000 0.324 61 G HA3 -0.301 3.659 3.960 0.000 0.000 0.324 61 G C -1.278 173.559 174.900 -0.104 0.000 1.286 61 G CA 0.413 45.461 45.100 -0.085 0.000 1.004 61 G HN 0.639 nan 8.290 nan 0.000 0.548 62 P HA 0.030 nan 4.420 nan 0.000 0.223 62 P C 2.152 179.395 177.300 -0.096 0.000 1.151 62 P CA 1.403 64.465 63.100 -0.064 0.000 0.787 62 P CB -0.086 31.596 31.700 -0.030 0.000 0.788 63 L N -0.871 120.282 121.223 -0.117 0.000 2.456 63 L HA -0.025 4.315 4.340 0.000 0.000 0.224 63 L C 1.870 178.594 176.870 -0.243 0.000 1.148 63 L CA 0.216 54.966 54.840 -0.149 0.000 0.825 63 L CB -0.573 41.409 42.059 -0.128 0.000 0.937 63 L HN -0.015 nan 8.230 nan 0.000 0.450 64 R N 0.482 120.802 120.500 -0.301 0.000 2.570 64 R HA -0.073 4.267 4.340 0.000 0.000 0.277 64 R C -0.159 175.774 176.300 -0.611 0.000 1.039 64 R CA -0.056 55.709 56.100 -0.558 0.000 1.065 64 R CB 0.194 30.063 30.300 -0.718 0.000 0.964 64 R HN 0.063 nan 8.270 nan 0.000 0.428 65 F N -0.025 119.562 119.950 -0.604 0.000 3.074 65 F HA -0.265 4.262 4.527 0.000 0.000 0.289 65 F C 0.112 174.983 175.800 -1.548 0.000 0.863 65 F CA 1.420 58.712 58.000 -1.181 0.000 1.121 65 F CB -2.572 36.166 39.000 -0.436 0.000 1.169 65 F HN 0.665 nan 8.300 nan 0.000 0.570 66 T N -3.444 110.474 114.554 -1.059 0.000 2.883 66 T HA 0.786 5.136 4.350 0.000 0.000 0.301 66 T C -2.971 171.550 174.700 -0.297 0.000 1.158 66 T CA -2.380 59.336 62.100 -0.640 0.000 1.007 66 T CB 3.426 72.143 68.868 -0.251 0.000 1.186 66 T HN -0.242 nan 8.240 nan 0.000 0.499 67 P HA 0.253 nan 4.420 nan 0.000 0.269 67 P C -2.424 174.924 177.300 0.080 0.000 1.217 67 P CA -0.910 62.317 63.100 0.212 0.000 0.783 67 P CB -0.234 31.597 31.700 0.219 0.000 0.898 68 P HA 0.173 nan 4.420 nan 0.000 0.279 68 P C -0.847 176.474 177.300 0.035 0.000 1.239 68 P CA -0.037 63.083 63.100 0.033 0.000 0.789 68 P CB 0.772 32.508 31.700 0.061 0.000 0.933 69 Q N 3.096 122.889 119.800 -0.012 0.000 2.257 69 Q HA 0.459 4.799 4.340 0.000 0.000 0.262 69 Q C -2.228 173.772 176.000 0.001 0.000 0.997 69 Q CA -2.019 53.786 55.803 0.004 0.000 0.873 69 Q CB 0.700 29.429 28.738 -0.016 0.000 1.312 69 Q HN 0.352 nan 8.270 nan 0.000 0.450 70 P HA -0.053 nan 4.420 nan 0.000 0.266 70 P C -1.406 175.860 177.300 -0.057 0.000 1.193 70 P CA 0.182 63.323 63.100 0.068 0.000 0.770 70 P CB 0.474 32.243 31.700 0.114 0.000 0.836 71 A N 2.710 125.432 122.820 -0.163 0.000 2.371 71 A HA 0.180 4.500 4.320 0.000 0.000 0.257 71 A C 0.309 177.658 177.584 -0.392 0.000 1.089 71 A CA -0.395 51.473 52.037 -0.282 0.000 0.794 71 A CB -0.055 18.803 19.000 -0.238 0.000 1.029 71 A HN 0.442 nan 8.150 nan 0.000 0.488 72 E N 2.792 122.888 120.200 -0.173 0.000 2.366 72 E HA 0.170 4.521 4.350 0.000 0.000 0.266 72 E C -2.101 174.463 176.600 -0.061 0.000 1.015 72 E CA -1.460 54.886 56.400 -0.091 0.000 0.906 72 E CB 0.133 29.827 29.700 -0.010 0.000 0.979 72 E HN 0.442 nan 8.360 nan 0.000 0.443 73 P HA 0.048 nan 4.420 nan 0.000 0.271 73 P C -0.604 176.697 177.300 0.001 0.000 1.216 73 P CA -0.275 62.746 63.100 -0.131 0.000 0.771 73 P CB 0.239 31.899 31.700 -0.067 0.000 0.864 74 W N 1.769 123.100 121.300 0.051 0.000 2.390 74 W HA 0.579 5.239 4.660 0.000 0.000 0.362 74 W C 0.816 177.316 176.519 -0.031 0.000 1.206 74 W CA -0.669 56.689 57.345 0.022 0.000 1.355 74 W CB -0.548 28.949 29.460 0.061 0.000 1.278 74 W HN 0.158 nan 8.180 nan 0.000 0.653 75 S N -0.113 115.684 115.700 0.162 0.000 2.441 75 S HA 0.139 4.609 4.470 0.000 0.000 0.224 75 S C 0.647 175.032 174.600 -0.359 0.000 1.043 75 S CA 0.410 58.486 58.200 -0.207 0.000 0.948 75 S CB -0.213 62.721 63.200 -0.443 0.000 0.810 75 S HN 0.449 nan 8.310 nan 0.000 0.504 76 F N 0.204 120.307 119.950 0.255 0.000 2.929 76 F HA 0.467 4.994 4.527 0.000 0.000 0.150 76 F C -0.049 175.912 175.800 0.269 0.000 1.482 76 F CA -0.747 57.373 58.000 0.199 0.000 0.962 76 F CB -0.070 39.003 39.000 0.121 0.000 2.000 76 F HN -0.305 nan 8.300 nan 0.000 0.408 77 V N 1.312 121.482 119.914 0.426 0.000 2.350 77 V HA 0.259 4.379 4.120 0.000 0.000 0.285 77 V C -0.414 175.760 176.094 0.132 0.000 1.014 77 V CA -1.066 61.406 62.300 0.285 0.000 0.831 77 V CB 1.022 32.968 31.823 0.206 0.000 1.000 77 V HN 0.324 nan 8.190 nan 0.000 0.433 78 K N 3.783 124.179 120.400 -0.007 0.000 2.322 78 K HA 0.222 4.542 4.320 0.000 0.000 0.283 78 K C 0.041 176.577 176.600 -0.106 0.000 1.042 78 K CA -0.283 55.841 56.287 -0.272 0.000 0.958 78 K CB 0.389 32.336 32.500 -0.922 0.000 0.984 78 K HN 0.594 nan 8.250 nan 0.000 0.473 79 N N 2.900 121.538 118.700 -0.103 0.000 2.663 79 N HA 0.130 4.870 4.740 0.000 0.000 0.250 79 N C -0.958 174.501 175.510 -0.084 0.000 1.129 79 N CA -0.044 52.965 53.050 -0.068 0.000 0.995 79 N CB 1.184 39.628 38.487 -0.071 0.000 1.324 79 N HN 0.570 nan 8.380 nan 0.000 0.512 80 A N 1.622 124.425 122.820 -0.029 0.000 3.026 80 A HA 0.174 4.494 4.320 0.000 0.000 0.272 80 A C 0.859 178.377 177.584 -0.110 0.000 1.782 80 A CA -0.219 51.804 52.037 -0.024 0.000 1.451 80 A CB -0.831 18.259 19.000 0.150 0.000 1.081 80 A HN 0.516 nan 8.150 nan 0.000 0.611 81 T N -3.011 111.448 114.554 -0.159 0.000 3.337 81 T HA 0.426 4.776 4.350 0.000 0.000 0.299 81 T C 0.069 174.616 174.700 -0.256 0.000 0.998 81 T CA -0.031 61.942 62.100 -0.212 0.000 0.948 81 T CB -0.099 68.668 68.868 -0.168 0.000 1.170 81 T HN 0.245 nan 8.240 nan 0.000 0.508 82 S N 0.505 116.039 115.700 -0.276 0.000 2.541 82 S HA 0.594 5.064 4.470 0.000 0.000 0.280 82 S C -1.445 172.961 174.600 -0.324 0.000 1.112 82 S CA -0.782 57.249 58.200 -0.281 0.000 0.925 82 S CB 0.982 64.079 63.200 -0.172 0.000 1.067 82 S HN 0.315 nan 8.310 nan 0.000 0.479 83 Y N 3.696 123.927 120.300 -0.116 0.000 2.544 83 Y HA 0.193 4.743 4.550 0.000 0.000 0.330 83 Y C -1.465 174.316 175.900 -0.199 0.000 1.136 83 Y CA -1.166 56.859 58.100 -0.125 0.000 1.417 83 Y CB -0.101 38.305 38.460 -0.090 0.000 1.229 83 Y HN 0.383 nan 8.280 nan 0.000 0.532 84 P HA 0.144 nan 4.420 nan 0.000 0.272 84 P C -2.662 174.505 177.300 -0.221 0.000 1.240 84 P CA -1.424 61.435 63.100 -0.402 0.000 0.791 84 P CB 0.650 31.991 31.700 -0.597 0.000 0.978 85 P HA 0.205 nan 4.420 nan 0.000 0.272 85 P C -0.197 177.044 177.300 -0.100 0.000 1.240 85 P CA -0.047 62.969 63.100 -0.140 0.000 0.791 85 P CB 0.200 31.821 31.700 -0.130 0.000 0.978 86 M N -0.506 119.029 119.600 -0.108 0.000 2.363 86 M HA 0.487 4.967 4.480 0.000 0.000 0.343 86 M C -0.731 175.487 176.300 -0.138 0.000 1.165 86 M CA -0.652 54.582 55.300 -0.110 0.000 1.046 86 M CB 0.615 33.132 32.600 -0.138 0.000 1.648 86 M HN 0.110 nan 8.290 nan 0.000 0.452 87 c N 1.715 120.233 118.600 -0.138 0.000 2.692 87 c HA 0.079 4.649 4.570 0.000 0.000 0.409 87 c C 0.999 174.903 174.090 -0.310 0.000 1.284 87 c CA -0.156 56.041 56.329 -0.220 0.000 1.909 87 c CB -0.488 41.916 42.510 -0.176 0.000 2.713 87 c HN 0.869 nan 8.230 nan 0.000 0.649 88 T N 4.229 118.445 114.554 -0.564 0.000 2.866 88 T HA 0.258 4.608 4.350 0.000 0.000 0.293 88 T C 0.176 174.646 174.700 -0.384 0.000 1.005 88 T CA 0.581 62.279 62.100 -0.670 0.000 1.162 88 T CB -0.228 67.771 68.868 -1.448 0.000 0.968 88 T HN 0.880 nan 8.240 nan 0.000 0.530 89 Q N 1.579 121.284 119.800 -0.159 0.000 2.832 89 Q HA 0.327 4.668 4.340 0.000 0.000 0.329 89 Q C -1.571 174.445 176.000 0.026 0.000 0.816 89 Q CA -1.078 54.727 55.803 0.004 0.000 0.804 89 Q CB 0.875 29.604 28.738 -0.015 0.000 1.376 89 Q HN 0.334 nan 8.270 nan 0.000 0.503 90 D N 2.380 122.812 120.400 0.053 0.000 2.348 90 D HA 0.109 4.750 4.640 0.000 0.000 0.259 90 D C -1.314 174.987 176.300 0.000 0.000 1.296 90 D CA -1.702 52.324 54.000 0.044 0.000 0.931 90 D CB 1.073 41.908 40.800 0.059 0.000 1.067 90 D HN 0.264 nan 8.370 nan 0.000 0.503 91 P HA -0.219 nan 4.420 nan 0.000 0.217 91 P C 0.997 178.278 177.300 -0.033 0.000 1.151 91 P CA 1.273 64.353 63.100 -0.033 0.000 0.849 91 P CB 0.575 32.257 31.700 -0.029 0.000 0.787 92 K N -0.017 120.372 120.400 -0.019 0.000 1.980 92 K HA 0.004 4.324 4.320 0.000 0.000 0.208 92 K C 2.515 179.097 176.600 -0.029 0.000 1.043 92 K CA 1.316 57.591 56.287 -0.020 0.000 0.938 92 K CB -0.796 31.699 32.500 -0.008 0.000 0.724 92 K HN -0.011 nan 8.250 nan 0.000 0.438 93 A N 1.499 124.306 122.820 -0.021 0.000 1.948 93 A HA -0.149 4.171 4.320 0.000 0.000 0.220 93 A C 2.381 179.930 177.584 -0.059 0.000 1.177 93 A CA 2.173 54.191 52.037 -0.032 0.000 0.636 93 A CB -1.345 17.651 19.000 -0.008 0.000 0.815 93 A HN 0.478 nan 8.150 nan 0.000 0.449 94 G N -0.967 107.800 108.800 -0.056 0.000 2.453 94 G HA2 -0.281 3.679 3.960 0.000 0.000 0.215 94 G HA3 -0.281 3.679 3.960 0.000 0.000 0.215 94 G C 1.631 176.466 174.900 -0.108 0.000 1.201 94 G CA 1.123 46.171 45.100 -0.085 0.000 0.784 94 G HN 0.639 nan 8.290 nan 0.000 0.545 95 Q N -0.479 119.267 119.800 -0.090 0.000 2.124 95 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 95 Q C 2.396 178.343 176.000 -0.089 0.000 0.977 95 Q CA 1.252 56.999 55.803 -0.094 0.000 0.850 95 Q CB -0.244 28.451 28.738 -0.073 0.000 0.901 95 Q HN 0.383 nan 8.270 nan 0.000 0.429 96 L N 0.323 121.501 121.223 -0.074 0.000 2.017 96 L HA -0.134 4.206 4.340 0.000 0.000 0.208 96 L C 2.073 178.884 176.870 -0.097 0.000 1.073 96 L CA 1.558 56.361 54.840 -0.062 0.000 0.745 96 L CB -0.811 41.220 42.059 -0.046 0.000 0.894 96 L HN 0.424 nan 8.230 nan 0.000 0.432 97 L N -0.956 120.173 121.223 -0.157 0.000 2.046 97 L HA -0.156 4.184 4.340 0.000 0.000 0.208 97 L C 2.716 179.421 176.870 -0.274 0.000 1.077 97 L CA 2.046 56.716 54.840 -0.283 0.000 0.747 97 L CB -1.025 40.844 42.059 -0.317 0.000 0.896 97 L HN 0.483 nan 8.230 nan 0.000 0.432 98 S N -0.673 114.900 115.700 -0.211 0.000 2.365 98 S HA -0.267 4.204 4.470 0.000 0.000 0.225 98 S C 1.858 176.362 174.600 -0.159 0.000 1.039 98 S CA 1.874 59.943 58.200 -0.218 0.000 1.033 98 S CB -0.329 62.751 63.200 -0.200 0.000 0.887 98 S HN 0.674 nan 8.310 nan 0.000 0.447 99 E N 0.640 120.783 120.200 -0.094 0.000 2.031 99 E HA -0.089 4.261 4.350 0.000 0.000 0.193 99 E C 2.179 178.817 176.600 0.064 0.000 0.994 99 E CA 1.329 57.713 56.400 -0.027 0.000 0.800 99 E CB -0.415 29.282 29.700 -0.005 0.000 0.752 99 E HN 0.490 nan 8.360 nan 0.000 0.447 100 L N 0.015 121.301 121.223 0.104 0.000 2.447 100 L HA -0.140 4.200 4.340 0.000 0.000 0.225 100 L C 1.651 178.857 176.870 0.561 0.000 1.148 100 L CA 0.623 55.640 54.840 0.295 0.000 0.808 100 L CB -0.085 42.128 42.059 0.257 0.000 0.928 100 L HN 0.106 nan 8.230 nan 0.000 0.448 101 F N -1.731 118.173 119.950 -0.077 0.000 2.740 101 F HA 0.138 4.665 4.527 0.000 0.000 0.304 101 F C 1.595 177.110 175.800 -0.474 0.000 1.098 101 F CA -0.667 57.159 58.000 -0.289 0.000 1.258 101 F CB -0.410 38.430 39.000 -0.267 0.000 1.061 101 F HN -0.250 nan 8.300 nan 0.000 0.598 102 T N 2.614 117.051 114.554 -0.195 0.000 2.905 102 T HA -0.083 4.267 4.350 0.000 0.000 0.299 102 T C 1.321 175.876 174.700 -0.241 0.000 1.024 102 T CA 0.301 62.211 62.100 -0.316 0.000 1.151 102 T CB 0.172 68.904 68.868 -0.227 0.000 0.987 102 T HN 0.388 nan 8.240 nan 0.000 0.535 103 N N 4.726 123.239 118.700 -0.312 0.000 2.336 103 N HA -0.009 4.731 4.740 0.000 0.000 0.189 103 N C 0.556 175.957 175.510 -0.182 0.000 1.113 103 N CA -0.225 52.690 53.050 -0.224 0.000 0.858 103 N CB -0.031 38.336 38.487 -0.201 0.000 0.970 103 N HN 0.771 nan 8.380 nan 0.000 0.471 104 R N 0.689 121.090 120.500 -0.164 0.000 2.607 104 R HA 0.316 4.657 4.340 0.000 0.000 0.261 104 R C 1.272 177.517 176.300 -0.093 0.000 1.051 104 R CA -0.812 55.221 56.100 -0.111 0.000 1.110 104 R CB 1.089 31.333 30.300 -0.093 0.000 1.158 104 R HN -0.082 nan 8.270 nan 0.000 0.543 105 K N 0.738 121.105 120.400 -0.055 0.000 1.971 105 K HA -0.230 4.090 4.320 0.000 0.000 0.221 105 K C -0.048 176.533 176.600 -0.032 0.000 1.050 105 K CA 1.745 58.013 56.287 -0.032 0.000 0.967 105 K CB -0.543 31.954 32.500 -0.005 0.000 0.733 105 K HN 0.797 nan 8.250 nan 0.000 0.445 106 E N 1.518 121.698 120.200 -0.034 0.000 2.249 106 E HA 0.122 4.472 4.350 0.000 0.000 0.280 106 E C -1.001 175.554 176.600 -0.074 0.000 1.016 106 E CA -0.848 55.528 56.400 -0.040 0.000 0.830 106 E CB 0.998 30.682 29.700 -0.027 0.000 1.081 106 E HN 0.296 nan 8.360 nan 0.000 0.395 107 N N 3.741 122.395 118.700 -0.076 0.000 2.520 107 N HA 0.061 4.801 4.740 0.000 0.000 0.273 107 N C -0.542 174.890 175.510 -0.130 0.000 1.155 107 N CA -0.599 52.383 53.050 -0.113 0.000 0.967 107 N CB 0.540 38.973 38.487 -0.090 0.000 1.092 107 N HN 0.456 nan 8.380 nan 0.000 0.457 108 I N 5.435 125.885 120.570 -0.199 0.000 2.312 108 I HA 0.235 4.405 4.170 0.000 0.000 0.291 108 I C -1.803 174.201 176.117 -0.188 0.000 1.031 108 I CA -2.374 58.794 61.300 -0.221 0.000 1.293 108 I CB 0.589 38.331 38.000 -0.429 0.000 1.403 108 I HN 0.446 nan 8.210 nan 0.000 0.484 109 P HA 0.264 nan 4.420 nan 0.000 0.271 109 P C -0.600 176.637 177.300 -0.104 0.000 1.226 109 P CA -0.120 62.919 63.100 -0.102 0.000 0.765 109 P CB 1.235 32.894 31.700 -0.069 0.000 0.835 110 L N 2.530 123.685 121.223 -0.112 0.000 2.376 110 L HA 0.539 4.879 4.340 0.000 0.000 0.267 110 L C 0.868 177.685 176.870 -0.088 0.000 1.035 110 L CA -1.077 53.700 54.840 -0.104 0.000 0.800 110 L CB 0.941 42.924 42.059 -0.127 0.000 1.290 110 L HN 0.275 nan 8.230 nan 0.000 0.462 111 K N 0.190 120.537 120.400 -0.088 0.000 2.221 111 K HA 0.654 4.974 4.320 0.000 0.000 0.243 111 K C -1.335 175.203 176.600 -0.104 0.000 0.968 111 K CA -0.463 55.772 56.287 -0.087 0.000 0.846 111 K CB 1.600 34.052 32.500 -0.081 0.000 1.141 111 K HN 0.337 nan 8.250 nan 0.000 0.434 112 L N 1.225 122.384 121.223 -0.107 0.000 2.325 112 L HA 0.623 4.963 4.340 0.000 0.000 0.278 112 L C -0.379 176.399 176.870 -0.152 0.000 1.023 112 L CA -0.597 54.160 54.840 -0.140 0.000 0.811 112 L CB 1.790 43.766 42.059 -0.138 0.000 1.249 112 L HN 0.616 nan 8.230 nan 0.000 0.431 113 S N 0.515 116.094 115.700 -0.200 0.000 2.608 113 S HA 0.143 4.613 4.470 0.000 0.000 0.285 113 S C 0.057 174.499 174.600 -0.264 0.000 1.108 113 S CA -0.595 57.487 58.200 -0.196 0.000 0.858 113 S CB 1.396 64.524 63.200 -0.119 0.000 1.077 113 S HN 0.768 nan 8.310 nan 0.000 0.450 114 E N 0.964 120.996 120.200 -0.279 0.000 2.274 114 E HA -0.061 4.290 4.350 0.000 0.000 0.194 114 E C -0.222 176.269 176.600 -0.182 0.000 0.996 114 E CA 0.618 56.825 56.400 -0.320 0.000 0.840 114 E CB 0.063 29.621 29.700 -0.237 0.000 0.772 114 E HN 0.543 nan 8.360 nan 0.000 0.491 115 D N 0.176 120.511 120.400 -0.109 0.000 2.402 115 D HA 0.004 4.644 4.640 0.000 0.000 0.235 115 D C -0.014 176.341 176.300 0.093 0.000 1.226 115 D CA -0.296 53.687 54.000 -0.029 0.000 0.918 115 D CB 0.223 41.033 40.800 0.016 0.000 1.043 115 D HN 0.161 nan 8.370 nan 0.000 0.506 116 c N 2.762 121.397 118.600 0.058 0.000 3.981 116 c HA 0.303 4.873 4.570 0.000 0.000 0.306 116 c C 0.523 174.705 174.090 0.153 0.000 2.005 116 c CA -0.683 55.767 56.329 0.202 0.000 1.655 116 c CB -1.294 41.232 42.510 0.026 0.000 3.164 116 c HN 0.485 nan 8.230 nan 0.000 0.554 117 L N 2.531 123.611 121.223 -0.238 0.000 2.382 117 L HA 0.360 4.700 4.340 0.000 0.000 0.259 117 L C -0.692 175.764 176.870 -0.690 0.000 1.291 117 L CA 0.658 55.187 54.840 -0.517 0.000 1.176 117 L CB -0.812 40.696 42.059 -0.919 0.000 1.373 117 L HN 0.391 nan 8.230 nan 0.000 0.426 118 Y N 1.905 122.240 120.300 0.058 0.000 2.633 118 Y HA 0.727 5.277 4.550 0.000 0.000 0.339 118 Y C -0.095 175.980 175.900 0.293 0.000 1.045 118 Y CA -1.275 56.906 58.100 0.135 0.000 1.098 118 Y CB 1.885 40.355 38.460 0.017 0.000 1.296 118 Y HN 0.164 nan 8.280 nan 0.000 0.494 119 L N -0.384 121.018 121.223 0.298 0.000 2.424 119 L HA 0.733 5.073 4.340 0.000 0.000 0.258 119 L C -1.523 175.390 176.870 0.072 0.000 0.995 119 L CA -1.143 53.776 54.840 0.131 0.000 0.821 119 L CB 1.813 43.826 42.059 -0.077 0.000 1.383 119 L HN 0.407 nan 8.230 nan 0.000 0.410 120 N N 1.643 120.404 118.700 0.103 0.000 2.361 120 N HA 0.740 5.480 4.740 0.000 0.000 0.302 120 N C -1.178 174.333 175.510 0.000 0.000 1.074 120 N CA -0.241 52.831 53.050 0.037 0.000 0.850 120 N CB 2.534 41.094 38.487 0.122 0.000 1.228 120 N HN 0.689 nan 8.380 nan 0.000 0.491 121 I N 1.510 121.991 120.570 -0.149 0.000 2.569 121 I HA 0.357 4.527 4.170 0.000 0.000 0.296 121 I C -1.156 174.851 176.117 -0.183 0.000 1.028 121 I CA -0.781 60.467 61.300 -0.087 0.000 1.082 121 I CB 1.492 39.342 38.000 -0.249 0.000 1.264 121 I HN 0.349 nan 8.210 nan 0.000 0.429 122 Y N 2.750 123.156 120.300 0.177 0.000 2.349 122 Y HA 0.344 4.894 4.550 0.000 0.000 0.324 122 Y C 0.118 176.129 175.900 0.184 0.000 1.005 122 Y CA -0.676 57.535 58.100 0.186 0.000 1.240 122 Y CB 2.054 40.606 38.460 0.152 0.000 1.117 122 Y HN 0.341 nan 8.280 nan 0.000 0.463 123 T N 5.355 120.110 114.554 0.336 0.000 2.791 123 T HA 0.300 4.650 4.350 0.000 0.000 0.288 123 T C -1.972 172.884 174.700 0.260 0.000 0.999 123 T CA -2.254 60.022 62.100 0.293 0.000 0.952 123 T CB 1.110 70.185 68.868 0.345 0.000 0.938 123 T HN 0.353 nan 8.240 nan 0.000 0.444 124 P HA 0.204 nan 4.420 nan 0.000 0.241 124 P C 0.394 177.801 177.300 0.177 0.000 1.191 124 P CA -0.068 63.132 63.100 0.167 0.000 0.771 124 P CB 0.071 31.835 31.700 0.107 0.000 0.929 125 A N 1.037 123.969 122.820 0.186 0.000 2.445 125 A HA 0.106 4.426 4.320 0.000 0.000 0.242 125 A C 0.013 177.713 177.584 0.193 0.000 1.075 125 A CA -0.053 52.085 52.037 0.168 0.000 0.777 125 A CB -0.427 18.667 19.000 0.156 0.000 1.013 125 A HN -0.016 nan 8.150 nan 0.000 0.493 126 D N 1.932 122.425 120.400 0.155 0.000 2.422 126 D HA 0.289 4.930 4.640 0.000 0.000 0.227 126 D C 0.877 177.266 176.300 0.148 0.000 1.190 126 D CA -0.095 54.000 54.000 0.158 0.000 0.905 126 D CB -0.149 40.714 40.800 0.105 0.000 1.034 126 D HN 0.407 nan 8.370 nan 0.000 0.507 127 L N 2.564 123.901 121.223 0.190 0.000 2.551 127 L HA -0.108 4.232 4.340 0.000 0.000 0.230 127 L C 2.162 179.094 176.870 0.104 0.000 1.163 127 L CA 1.202 56.127 54.840 0.142 0.000 0.826 127 L CB -0.830 41.331 42.059 0.169 0.000 0.943 127 L HN 0.507 nan 8.230 nan 0.000 0.452 128 T N -3.729 110.890 114.554 0.108 0.000 3.148 128 T HA 0.091 4.441 4.350 0.000 0.000 0.253 128 T C 0.603 175.335 174.700 0.053 0.000 1.134 128 T CA 0.056 62.202 62.100 0.076 0.000 1.051 128 T CB 0.010 68.921 68.868 0.071 0.000 0.959 128 T HN 0.273 nan 8.240 nan 0.000 0.525 129 K N 0.300 120.732 120.400 0.054 0.000 2.495 129 K HA 0.463 4.783 4.320 0.000 0.000 0.268 129 K C -1.140 175.481 176.600 0.036 0.000 1.008 129 K CA -1.114 55.197 56.287 0.039 0.000 0.882 129 K CB 2.150 34.675 32.500 0.041 0.000 1.443 129 K HN -0.005 nan 8.250 nan 0.000 0.447 130 K N 1.772 122.187 120.400 0.025 0.000 2.298 130 K HA 0.150 4.470 4.320 0.000 0.000 0.280 130 K C -0.859 175.760 176.600 0.031 0.000 1.032 130 K CA -0.029 56.271 56.287 0.021 0.000 0.958 130 K CB 0.464 32.971 32.500 0.011 0.000 0.978 130 K HN 0.485 nan 8.250 nan 0.000 0.472 131 N N 3.256 121.978 118.700 0.038 0.000 2.324 131 N HA 0.253 4.993 4.740 0.000 0.000 0.285 131 N C -1.400 174.139 175.510 0.048 0.000 1.076 131 N CA -0.716 52.363 53.050 0.049 0.000 0.864 131 N CB 1.864 40.393 38.487 0.071 0.000 1.632 131 N HN 0.439 nan 8.380 nan 0.000 0.478 132 R N 1.403 121.929 120.500 0.042 0.000 2.886 132 R HA 0.422 4.762 4.340 0.000 0.000 0.306 132 R C -0.382 175.943 176.300 0.042 0.000 1.300 132 R CA -0.306 55.817 56.100 0.039 0.000 1.441 132 R CB 0.031 30.343 30.300 0.019 0.000 1.328 132 R HN 0.432 nan 8.270 nan 0.000 0.629 133 L N 2.161 123.421 121.223 0.061 0.000 2.439 133 L HA 0.332 4.672 4.340 0.000 0.000 0.269 133 L C -1.580 175.326 176.870 0.061 0.000 1.179 133 L CA -1.796 53.081 54.840 0.061 0.000 0.828 133 L CB 0.199 42.306 42.059 0.081 0.000 1.106 133 L HN 0.086 nan 8.230 nan 0.000 0.467 134 P HA 0.025 nan 4.420 nan 0.000 0.266 134 P C -0.736 176.607 177.300 0.072 0.000 1.195 134 P CA -0.085 63.042 63.100 0.046 0.000 0.768 134 P CB 0.949 32.661 31.700 0.020 0.000 0.838 135 V N 4.961 124.932 119.914 0.095 0.000 2.427 135 V HA 0.346 4.466 4.120 0.000 0.000 0.286 135 V C 0.712 176.885 176.094 0.132 0.000 1.034 135 V CA -0.316 62.059 62.300 0.126 0.000 0.893 135 V CB 1.087 32.997 31.823 0.144 0.000 0.982 135 V HN 0.503 nan 8.190 nan 0.000 0.452 136 M N 4.852 124.550 119.600 0.164 0.000 2.018 136 M HA 0.412 4.892 4.480 0.000 0.000 0.311 136 M C -1.050 175.558 176.300 0.514 0.000 0.928 136 M CA -0.508 54.917 55.300 0.209 0.000 0.911 136 M CB 1.733 34.320 32.600 -0.022 0.000 1.447 136 M HN 0.379 nan 8.290 nan 0.000 0.407 137 V N 3.459 123.668 119.914 0.491 0.000 2.432 137 V HA 0.221 4.341 4.120 0.000 0.000 0.271 137 V C -0.498 175.864 176.094 0.447 0.000 1.046 137 V CA -0.404 62.143 62.300 0.411 0.000 0.945 137 V CB 0.763 32.704 31.823 0.196 0.000 0.992 137 V HN 0.822 nan 8.190 nan 0.000 0.471 138 W N 7.200 128.521 121.300 0.035 0.000 2.349 138 W HA 0.598 5.258 4.660 0.000 0.000 0.309 138 W C -1.255 175.131 176.519 -0.222 0.000 1.083 138 W CA -0.984 56.109 57.345 -0.420 0.000 1.224 138 W CB 1.335 30.541 29.460 -0.424 0.000 1.256 138 W HN 0.448 nan 8.180 nan 0.000 0.461 139 I N 8.060 127.976 120.570 -1.090 0.000 2.330 139 I HA 0.055 4.225 4.170 0.000 0.000 0.286 139 I C 1.152 176.512 176.117 -1.262 0.000 1.025 139 I CA -0.747 60.053 61.300 -0.833 0.000 1.197 139 I CB 0.624 38.253 38.000 -0.619 0.000 1.358 139 I HN 0.393 nan 8.210 nan 0.000 0.467 140 H N 4.850 123.474 119.070 -0.744 0.000 2.822 140 H HA 0.367 4.923 4.556 0.000 0.000 0.373 140 H C -0.026 175.258 175.328 -0.074 0.000 1.223 140 H CA -0.301 55.532 56.048 -0.358 0.000 1.436 140 H CB 0.916 30.853 29.762 0.291 0.000 1.439 140 H HN 0.599 nan 8.280 nan 0.000 0.618 141 G N -1.894 107.039 108.800 0.222 0.000 2.753 141 G HA2 0.485 4.446 3.960 0.000 0.000 0.285 141 G HA3 0.485 4.446 3.960 0.000 0.000 0.285 141 G C 0.213 175.322 174.900 0.349 0.000 1.344 141 G CA -0.772 44.448 45.100 0.201 0.000 1.050 141 G HN 1.138 nan 8.290 nan 0.000 0.532 142 G N -2.693 106.235 108.800 0.214 0.000 2.598 142 G HA2 0.428 4.388 3.960 0.000 0.000 0.221 142 G HA3 0.428 4.388 3.960 0.000 0.000 0.221 142 G C 0.959 175.910 174.900 0.085 0.000 1.019 142 G CA 0.776 45.961 45.100 0.141 0.000 0.912 142 G HN 2.285 nan 8.290 nan 0.000 0.574 143 G N 0.225 109.073 108.800 0.079 0.000 2.233 143 G HA2 -0.199 3.761 3.960 0.000 0.000 0.270 143 G HA3 -0.199 3.761 3.960 0.000 0.000 0.270 143 G C 1.217 176.075 174.900 -0.069 0.000 1.011 143 G CA 0.725 45.829 45.100 0.008 0.000 0.762 143 G HN 1.727 nan 8.290 nan 0.000 0.511 144 L N -3.575 117.626 121.223 -0.036 0.000 4.813 144 L HA -0.296 4.044 4.340 0.000 0.000 0.434 144 L C 2.082 178.950 176.870 -0.004 0.000 1.106 144 L CA 1.750 56.544 54.840 -0.077 0.000 0.991 144 L CB -1.437 40.315 42.059 -0.512 0.000 2.005 144 L HN 0.460 nan 8.230 nan 0.000 0.817 145 M N -1.114 118.489 119.600 0.005 0.000 2.538 145 M HA 0.321 4.801 4.480 0.000 0.000 0.259 145 M C 0.709 177.046 176.300 0.061 0.000 1.217 145 M CA 1.033 56.352 55.300 0.032 0.000 1.131 145 M CB 0.796 33.389 32.600 -0.012 0.000 1.382 145 M HN 0.244 nan 8.290 nan 0.000 0.520 146 V N -2.952 116.992 119.914 0.051 0.000 3.206 146 V HA 1.041 5.161 4.120 0.000 0.000 0.305 146 V C -0.351 175.773 176.094 0.050 0.000 1.257 146 V CA -0.215 62.099 62.300 0.023 0.000 1.057 146 V CB 1.343 33.160 31.823 -0.009 0.000 1.075 146 V HN 0.479 nan 8.190 nan 0.000 0.443 147 G N -0.534 108.230 108.800 -0.061 0.000 2.381 147 G HA2 0.667 4.628 3.960 0.000 0.000 0.672 147 G HA3 0.667 4.628 3.960 0.000 0.000 0.672 147 G C -0.631 173.928 174.900 -0.568 0.000 1.324 147 G CA -0.146 44.823 45.100 -0.219 0.000 0.975 147 G HN 2.855 nan 8.290 nan 0.000 0.593 148 A N -1.616 120.604 122.820 -0.999 0.000 2.590 148 A HA 0.981 5.301 4.320 0.000 0.000 0.294 148 A C 0.654 178.047 177.584 -0.319 0.000 1.046 148 A CA 0.860 52.531 52.037 -0.610 0.000 0.684 148 A CB 0.599 19.429 19.000 -0.283 0.000 1.279 148 A HN 2.561 nan 8.150 nan 0.000 0.415 149 A N 0.412 123.246 122.820 0.023 0.000 1.968 149 A HA 0.157 4.477 4.320 0.000 0.000 0.217 149 A C 1.988 179.715 177.584 0.238 0.000 1.169 149 A CA 2.310 54.528 52.037 0.301 0.000 0.638 149 A CB -0.684 18.517 19.000 0.335 0.000 0.812 149 A HN 1.291 nan 8.150 nan 0.000 0.446 150 S N -0.221 115.536 115.700 0.094 0.000 2.440 150 S HA -0.125 4.345 4.470 0.000 0.000 0.238 150 S C 1.879 176.378 174.600 -0.168 0.000 1.010 150 S CA 1.563 59.776 58.200 0.021 0.000 0.972 150 S CB -0.472 62.680 63.200 -0.080 0.000 0.774 150 S HN 0.686 nan 8.310 nan 0.000 0.501 151 T N 0.851 115.257 114.554 -0.247 0.000 2.746 151 T HA -0.063 4.287 4.350 0.000 0.000 0.267 151 T C 0.047 174.380 174.700 -0.611 0.000 1.039 151 T CA 1.051 62.858 62.100 -0.489 0.000 1.142 151 T CB -0.265 68.183 68.868 -0.700 0.000 0.866 151 T HN 0.411 nan 8.240 nan 0.000 0.444 152 Y N 1.904 122.037 120.300 -0.278 0.000 2.404 152 Y HA 0.392 4.942 4.550 0.000 0.000 0.344 152 Y C 0.228 175.931 175.900 -0.328 0.000 0.995 152 Y CA -1.628 56.134 58.100 -0.562 0.000 1.201 152 Y CB 0.314 38.137 38.460 -1.060 0.000 1.151 152 Y HN -0.056 nan 8.280 nan 0.000 0.517 153 D N 2.353 122.627 120.400 -0.209 0.000 2.274 153 D HA 0.203 4.843 4.640 0.000 0.000 0.239 153 D C 0.876 176.971 176.300 -0.341 0.000 1.104 153 D CA -0.230 53.641 54.000 -0.215 0.000 0.840 153 D CB 1.698 42.432 40.800 -0.110 0.000 1.100 153 D HN 0.835 nan 8.370 nan 0.000 0.477 154 G N 3.151 111.309 108.800 -1.071 0.000 3.042 154 G HA2 -0.102 3.858 3.960 0.000 0.000 0.212 154 G HA3 -0.102 3.858 3.960 0.000 0.000 0.212 154 G C 1.345 175.955 174.900 -0.484 0.000 1.166 154 G CA -0.091 44.571 45.100 -0.731 0.000 0.767 154 G HN 0.477 nan 8.290 nan 0.000 0.546 155 L N 1.860 122.836 121.223 -0.412 0.000 1.978 155 L HA -0.127 4.213 4.340 0.000 0.000 0.218 155 L C 2.926 179.729 176.870 -0.112 0.000 1.075 155 L CA 2.582 57.374 54.840 -0.079 0.000 0.767 155 L CB -0.905 41.163 42.059 0.015 0.000 0.890 155 L HN 0.227 nan 8.230 nan 0.000 0.434 156 A N -0.759 121.984 122.820 -0.129 0.000 1.841 156 A HA -0.254 4.066 4.320 0.000 0.000 0.216 156 A C 2.280 179.729 177.584 -0.224 0.000 1.199 156 A CA 2.178 54.102 52.037 -0.189 0.000 0.621 156 A CB -1.359 17.518 19.000 -0.206 0.000 0.835 156 A HN 0.532 nan 8.150 nan 0.000 0.445 157 L N -0.207 120.881 121.223 -0.225 0.000 2.051 157 L HA -0.197 4.143 4.340 0.000 0.000 0.214 157 L C 2.684 179.486 176.870 -0.114 0.000 1.076 157 L CA 2.529 57.244 54.840 -0.209 0.000 0.758 157 L CB -0.899 40.991 42.059 -0.282 0.000 0.890 157 L HN 0.418 nan 8.230 nan 0.000 0.433 158 A N -0.710 122.063 122.820 -0.079 0.000 1.858 158 A HA -0.104 4.216 4.320 0.000 0.000 0.216 158 A C 2.440 179.994 177.584 -0.051 0.000 1.190 158 A CA 2.215 54.248 52.037 -0.007 0.000 0.617 158 A CB -1.309 17.737 19.000 0.076 0.000 0.827 158 A HN 0.605 nan 8.150 nan 0.000 0.443 159 A N -0.923 121.796 122.820 -0.169 0.000 1.835 159 A HA -0.206 4.114 4.320 0.000 0.000 0.215 159 A C 2.047 179.431 177.584 -0.334 0.000 1.199 159 A CA 1.581 53.368 52.037 -0.416 0.000 0.615 159 A CB -1.246 17.198 19.000 -0.927 0.000 0.838 159 A HN 0.701 nan 8.150 nan 0.000 0.444 160 H N -0.752 118.062 119.070 -0.426 0.000 2.390 160 H HA -0.084 4.472 4.556 0.000 0.000 0.298 160 H C 0.936 176.249 175.328 -0.024 0.000 1.106 160 H CA 1.532 57.507 56.048 -0.121 0.000 1.297 160 H CB 0.240 29.836 29.762 -0.277 0.000 1.375 160 H HN 0.446 nan 8.280 nan 0.000 0.509 161 E N -0.056 120.179 120.200 0.058 0.000 2.526 161 E HA 0.019 4.369 4.350 0.000 0.000 0.208 161 E C -0.077 176.549 176.600 0.044 0.000 0.997 161 E CA -0.281 56.147 56.400 0.045 0.000 0.961 161 E CB 0.118 29.830 29.700 0.020 0.000 1.030 161 E HN 0.314 nan 8.360 nan 0.000 0.483 162 N N 1.031 119.758 118.700 0.046 0.000 2.671 162 N HA -0.153 4.587 4.740 0.000 0.000 0.261 162 N C -0.697 174.848 175.510 0.057 0.000 1.053 162 N CA 0.860 53.945 53.050 0.059 0.000 0.732 162 N CB -0.844 37.684 38.487 0.069 0.000 0.887 162 N HN 0.025 nan 8.380 nan 0.000 0.546 163 V N -2.474 117.473 119.914 0.056 0.000 2.925 163 V HA 0.632 4.752 4.120 0.000 0.000 0.311 163 V C 0.396 176.549 176.094 0.099 0.000 1.104 163 V CA -1.000 61.338 62.300 0.064 0.000 0.954 163 V CB 2.242 34.085 31.823 0.034 0.000 1.022 163 V HN -0.110 nan 8.190 nan 0.000 0.427 164 V N 3.667 123.655 119.914 0.124 0.000 2.389 164 V HA 0.307 4.427 4.120 0.000 0.000 0.264 164 V C 0.249 176.458 176.094 0.191 0.000 1.049 164 V CA -0.171 62.230 62.300 0.168 0.000 0.932 164 V CB 1.072 32.996 31.823 0.168 0.000 1.011 164 V HN 0.718 nan 8.190 nan 0.000 0.475 165 V N 6.548 126.608 119.914 0.243 0.000 2.407 165 V HA 0.402 4.522 4.120 0.000 0.000 0.278 165 V C 0.025 176.352 176.094 0.388 0.000 1.037 165 V CA -0.355 62.129 62.300 0.306 0.000 0.900 165 V CB 1.703 33.682 31.823 0.261 0.000 0.983 165 V HN 0.596 nan 8.190 nan 0.000 0.459 166 V N 4.306 124.441 119.914 0.369 0.000 2.487 166 V HA 0.538 4.658 4.120 0.000 0.000 0.298 166 V C 0.145 176.455 176.094 0.360 0.000 1.028 166 V CA -0.532 61.955 62.300 0.312 0.000 0.860 166 V CB 2.272 34.216 31.823 0.202 0.000 0.991 166 V HN 0.985 nan 8.190 nan 0.000 0.427 167 T N 3.506 118.279 114.554 0.365 0.000 2.770 167 T HA 0.801 5.151 4.350 0.000 0.000 0.283 167 T C -0.415 174.448 174.700 0.272 0.000 0.988 167 T CA -0.493 61.846 62.100 0.397 0.000 0.957 167 T CB 1.288 70.447 68.868 0.486 0.000 0.930 167 T HN 0.643 nan 8.240 nan 0.000 0.443 168 I N 0.164 120.866 120.570 0.221 0.000 2.863 168 I HA 0.694 4.865 4.170 0.000 0.000 0.311 168 I C -0.591 175.717 176.117 0.318 0.000 1.026 168 I CA -1.275 60.117 61.300 0.154 0.000 1.077 168 I CB 1.878 39.845 38.000 -0.056 0.000 1.262 168 I HN 0.541 nan 8.210 nan 0.000 0.461 169 Q N 1.661 121.686 119.800 0.374 0.000 2.458 169 Q HA 0.591 4.932 4.340 0.000 0.000 0.282 169 Q C -1.939 174.353 176.000 0.487 0.000 1.106 169 Q CA -0.826 55.212 55.803 0.393 0.000 0.814 169 Q CB 2.908 31.818 28.738 0.286 0.000 1.425 169 Q HN 0.735 nan 8.270 nan 0.000 0.437 170 Y N -2.862 117.586 120.300 0.246 0.000 2.558 170 Y HA 0.482 5.032 4.550 0.000 0.000 0.333 170 Y C -1.019 174.971 175.900 0.150 0.000 1.125 170 Y CA -1.404 56.812 58.100 0.193 0.000 1.039 170 Y CB 0.752 39.285 38.460 0.123 0.000 1.331 170 Y HN 0.418 nan 8.280 nan 0.000 0.456 171 R N 2.711 123.313 120.500 0.171 0.000 2.537 171 R HA 0.308 4.648 4.340 0.000 0.000 0.281 171 R C -0.712 175.696 176.300 0.181 0.000 0.988 171 R CA 0.330 56.496 56.100 0.111 0.000 1.077 171 R CB 0.081 30.460 30.300 0.133 0.000 0.932 171 R HN 0.686 nan 8.270 nan 0.000 0.409 172 L N 1.472 122.812 121.223 0.195 0.000 2.299 172 L HA 0.602 4.942 4.340 0.000 0.000 0.268 172 L C 1.300 178.443 176.870 0.456 0.000 1.012 172 L CA -0.767 54.275 54.840 0.336 0.000 0.816 172 L CB 0.894 43.038 42.059 0.142 0.000 1.355 172 L HN 0.842 nan 8.230 nan 0.000 0.457 173 G N 0.100 109.144 108.800 0.406 0.000 2.581 173 G HA2 -0.314 3.646 3.960 0.000 0.000 0.291 173 G HA3 -0.314 3.646 3.960 0.000 0.000 0.291 173 G C 0.729 175.874 174.900 0.407 0.000 1.277 173 G CA 0.519 45.823 45.100 0.341 0.000 0.959 173 G HN 0.674 nan 8.290 nan 0.000 0.554 174 I N -0.574 120.169 120.570 0.287 0.000 2.208 174 I HA -0.186 3.984 4.170 0.000 0.000 0.245 174 I C 2.790 179.121 176.117 0.356 0.000 1.097 174 I CA 2.212 63.629 61.300 0.194 0.000 1.363 174 I CB -0.346 37.545 38.000 -0.182 0.000 1.051 174 I HN 0.549 nan 8.210 nan 0.000 0.413 175 W N 0.816 122.282 121.300 0.276 0.000 2.342 175 W HA -0.123 4.538 4.660 0.000 0.000 0.297 175 W C 2.291 178.934 176.519 0.206 0.000 1.213 175 W CA 1.382 58.806 57.345 0.132 0.000 1.251 175 W CB -0.749 28.706 29.460 -0.010 0.000 1.136 175 W HN 0.251 nan 8.180 nan 0.000 0.526 176 G N -2.693 106.369 108.800 0.437 0.000 3.044 176 G HA2 0.093 4.053 3.960 0.000 0.000 0.223 176 G HA3 0.093 4.053 3.960 0.000 0.000 0.223 176 G C 0.573 175.185 174.900 -0.481 0.000 1.123 176 G CA -0.014 45.121 45.100 0.057 0.000 0.765 176 G HN 0.129 nan 8.290 nan 0.000 0.546 177 F N -0.878 119.293 119.950 0.368 0.000 2.899 177 F HA 0.397 4.925 4.527 0.000 0.000 0.337 177 F C 0.199 176.081 175.800 0.137 0.000 1.129 177 F CA -1.589 56.483 58.000 0.119 0.000 1.128 177 F CB 0.282 39.278 39.000 -0.006 0.000 1.154 177 F HN 0.007 nan 8.300 nan 0.000 0.531 178 F N 2.127 122.276 119.950 0.332 0.000 2.578 178 F HA 0.375 4.902 4.527 0.000 0.000 0.381 178 F C 0.444 176.330 175.800 0.144 0.000 1.069 178 F CA 0.380 58.477 58.000 0.161 0.000 1.231 178 F CB 0.484 39.472 39.000 -0.019 0.000 1.086 178 F HN -0.074 nan 8.300 nan 0.000 0.564 179 S N 3.337 118.568 115.700 -0.780 0.000 2.541 179 S HA 0.420 4.890 4.470 0.000 0.000 0.280 179 S C 0.283 174.436 174.600 -0.744 0.000 1.112 179 S CA -0.076 57.762 58.200 -0.603 0.000 0.925 179 S CB 1.582 64.594 63.200 -0.314 0.000 1.067 179 S HN 0.793 nan 8.310 nan 0.000 0.479 180 T N 0.417 114.699 114.554 -0.453 0.000 3.054 180 T HA 0.427 4.777 4.350 0.000 0.000 0.255 180 T C 1.454 176.072 174.700 -0.137 0.000 1.035 180 T CA 0.527 62.461 62.100 -0.277 0.000 0.941 180 T CB 0.166 68.971 68.868 -0.106 0.000 1.026 180 T HN 1.704 nan 8.240 nan 0.000 0.533 181 G N 2.354 111.073 108.800 -0.137 0.000 2.199 181 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 181 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 181 G C -0.204 174.668 174.900 -0.047 0.000 0.982 181 G CA 0.327 45.375 45.100 -0.086 0.000 0.632 181 G HN 0.887 nan 8.290 nan 0.000 0.529 182 D N -0.887 119.502 120.400 -0.019 0.000 2.687 182 D HA 0.458 5.098 4.640 0.000 0.000 0.264 182 D C 1.333 177.634 176.300 0.003 0.000 1.091 182 D CA -0.077 53.929 54.000 0.009 0.000 1.123 182 D CB -0.049 40.794 40.800 0.072 0.000 1.407 182 D HN 0.158 nan 8.370 nan 0.000 0.591 183 E N -0.232 119.935 120.200 -0.056 0.000 2.401 183 E HA -0.224 4.126 4.350 0.000 0.000 0.199 183 E C 0.764 177.293 176.600 -0.118 0.000 1.023 183 E CA 1.044 57.382 56.400 -0.103 0.000 0.859 183 E CB -0.585 29.011 29.700 -0.173 0.000 0.780 183 E HN 0.498 nan 8.360 nan 0.000 0.523 184 H N 0.352 119.469 119.070 0.078 0.000 2.555 184 H HA 0.177 4.733 4.556 0.000 0.000 0.269 184 H C 0.188 175.610 175.328 0.156 0.000 0.988 184 H CA 0.966 57.073 56.048 0.099 0.000 1.178 184 H CB 0.484 30.290 29.762 0.073 0.000 1.373 184 H HN 0.092 nan 8.280 nan 0.000 0.588 185 S N -0.358 115.500 115.700 0.263 0.000 2.742 185 S HA 0.118 4.588 4.470 0.000 0.000 0.159 185 S C 0.737 175.480 174.600 0.238 0.000 0.676 185 S CA -0.575 57.871 58.200 0.410 0.000 0.897 185 S CB 0.073 63.447 63.200 0.289 0.000 1.530 185 S HN 0.222 nan 8.310 nan 0.000 0.465 186 R N 1.647 122.259 120.500 0.188 0.000 2.073 186 R HA 0.242 4.582 4.340 0.000 0.000 0.234 186 R C 1.471 177.537 176.300 -0.390 0.000 1.134 186 R CA 1.333 57.358 56.100 -0.126 0.000 0.952 186 R CB -0.225 29.983 30.300 -0.153 0.000 0.850 186 R HN 0.916 nan 8.270 nan 0.000 0.433 187 G N -0.636 107.584 108.800 -0.966 0.000 2.409 187 G HA2 -0.201 3.759 3.960 0.000 0.000 0.421 187 G HA3 -0.201 3.759 3.960 0.000 0.000 0.421 187 G C -0.720 173.330 174.900 -1.417 0.000 1.259 187 G CA -0.381 44.013 45.100 -1.177 0.000 1.011 187 G HN 0.243 nan 8.290 nan 0.000 0.497 188 N N -0.967 117.276 118.700 -0.762 0.000 2.708 188 N HA -0.220 4.520 4.740 0.000 0.000 0.251 188 N C 1.297 176.475 175.510 -0.553 0.000 1.123 188 N CA 2.016 54.793 53.050 -0.455 0.000 0.739 188 N CB -1.500 36.906 38.487 -0.136 0.000 1.113 188 N HN 0.706 nan 8.380 nan 0.000 0.561 189 W N 0.673 121.819 121.300 -0.255 0.000 2.304 189 W HA -0.181 4.479 4.660 0.000 0.000 0.315 189 W C 2.547 178.912 176.519 -0.257 0.000 1.233 189 W CA 0.908 58.149 57.345 -0.174 0.000 1.261 189 W CB -0.824 28.581 29.460 -0.092 0.000 1.150 189 W HN 0.295 nan 8.180 nan 0.000 0.494 190 G N -0.127 108.374 108.800 -0.497 0.000 2.469 190 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 190 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 190 G C 1.198 176.038 174.900 -0.101 0.000 1.150 190 G CA 1.486 46.383 45.100 -0.338 0.000 0.763 190 G HN 0.318 nan 8.290 nan 0.000 0.561 191 H N 0.127 119.145 119.070 -0.087 0.000 2.462 191 H HA 0.139 4.695 4.556 0.000 0.000 0.292 191 H C 2.698 178.005 175.328 -0.035 0.000 1.049 191 H CA 0.604 56.615 56.048 -0.063 0.000 1.334 191 H CB -0.156 29.584 29.762 -0.035 0.000 1.404 191 H HN 0.288 nan 8.280 nan 0.000 0.544 192 L N 0.288 121.582 121.223 0.118 0.000 2.072 192 L HA -0.132 4.208 4.340 0.000 0.000 0.205 192 L C 2.095 179.068 176.870 0.170 0.000 1.079 192 L CA 0.905 55.825 54.840 0.134 0.000 0.752 192 L CB -0.248 41.917 42.059 0.176 0.000 0.906 192 L HN 0.076 nan 8.230 nan 0.000 0.436 193 D N 0.044 120.563 120.400 0.199 0.000 2.158 193 D HA -0.225 4.415 4.640 0.000 0.000 0.197 193 D C 2.251 178.727 176.300 0.294 0.000 0.995 193 D CA 1.250 55.436 54.000 0.309 0.000 0.846 193 D CB -0.065 40.934 40.800 0.332 0.000 0.941 193 D HN 0.374 nan 8.370 nan 0.000 0.456 194 Q N 0.001 119.873 119.800 0.120 0.000 2.020 194 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 194 Q C 2.435 178.418 176.000 -0.028 0.000 0.982 194 Q CA 0.959 56.741 55.803 -0.035 0.000 0.838 194 Q CB -0.016 28.634 28.738 -0.148 0.000 0.899 194 Q HN 0.115 nan 8.270 nan 0.000 0.423 195 V N 0.959 120.890 119.914 0.028 0.000 2.332 195 V HA -0.332 3.788 4.120 0.000 0.000 0.248 195 V C 2.224 178.374 176.094 0.092 0.000 1.055 195 V CA 1.839 64.168 62.300 0.048 0.000 1.038 195 V CB -1.124 30.738 31.823 0.065 0.000 0.651 195 V HN 0.448 nan 8.190 nan 0.000 0.450 196 A N 0.041 122.959 122.820 0.164 0.000 1.908 196 A HA -0.152 4.168 4.320 0.000 0.000 0.218 196 A C 2.457 180.182 177.584 0.235 0.000 1.181 196 A CA 2.239 54.436 52.037 0.267 0.000 0.627 196 A CB -0.837 18.411 19.000 0.412 0.000 0.818 196 A HN 0.595 nan 8.150 nan 0.000 0.445 197 A N -0.223 122.539 122.820 -0.096 0.000 1.883 197 A HA -0.078 4.242 4.320 0.000 0.000 0.217 197 A C 2.170 179.728 177.584 -0.044 0.000 1.186 197 A CA 1.555 53.276 52.037 -0.525 0.000 0.624 197 A CB -0.656 17.713 19.000 -1.052 0.000 0.822 197 A HN 0.486 nan 8.150 nan 0.000 0.444 198 L N -0.935 120.281 121.223 -0.012 0.000 2.083 198 L HA -0.209 4.131 4.340 0.000 0.000 0.209 198 L C 2.857 179.800 176.870 0.122 0.000 1.083 198 L CA 1.368 56.246 54.840 0.065 0.000 0.752 198 L CB -0.521 41.568 42.059 0.050 0.000 0.899 198 L HN 0.391 nan 8.230 nan 0.000 0.433 199 R N -1.083 119.503 120.500 0.142 0.000 2.092 199 R HA -0.213 4.127 4.340 0.000 0.000 0.231 199 R C 2.064 178.467 176.300 0.172 0.000 1.119 199 R CA 1.732 57.916 56.100 0.140 0.000 0.970 199 R CB -0.561 29.829 30.300 0.151 0.000 0.864 199 R HN 0.426 nan 8.270 nan 0.000 0.440 200 W N 1.421 122.767 121.300 0.075 0.000 2.363 200 W HA -0.189 4.471 4.660 0.000 0.000 0.296 200 W C 1.854 178.410 176.519 0.062 0.000 1.212 200 W CA 1.190 58.594 57.345 0.099 0.000 1.260 200 W CB -0.068 29.486 29.460 0.157 0.000 1.131 200 W HN -0.246 nan 8.180 nan 0.000 0.530 201 V N 0.854 120.955 119.914 0.310 0.000 2.343 201 V HA -0.337 3.783 4.120 0.000 0.000 0.247 201 V C 2.523 178.616 176.094 -0.002 0.000 1.051 201 V CA 1.993 64.394 62.300 0.168 0.000 1.036 201 V CB -1.068 30.871 31.823 0.194 0.000 0.654 201 V HN 0.207 nan 8.190 nan 0.000 0.451 202 Q N 0.187 119.998 119.800 0.019 0.000 2.061 202 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 202 Q C 1.748 177.697 176.000 -0.086 0.000 0.984 202 Q CA 1.645 57.446 55.803 -0.003 0.000 0.846 202 Q CB -0.492 28.259 28.738 0.023 0.000 0.902 202 Q HN 0.670 nan 8.270 nan 0.000 0.421 203 D N -0.455 119.844 120.400 -0.167 0.000 2.328 203 D HA 0.036 4.676 4.640 0.000 0.000 0.226 203 D C 0.795 176.850 176.300 -0.408 0.000 1.066 203 D CA 0.213 54.063 54.000 -0.250 0.000 0.861 203 D CB 0.177 40.831 40.800 -0.242 0.000 0.912 203 D HN 0.262 nan 8.370 nan 0.000 0.521 204 N N -0.389 118.014 118.700 -0.494 0.000 2.121 204 N HA -0.018 4.722 4.740 0.000 0.000 0.254 204 N C 1.480 176.875 175.510 -0.193 0.000 1.140 204 N CA -0.268 52.445 53.050 -0.562 0.000 0.785 204 N CB 0.563 38.194 38.487 -1.426 0.000 1.564 204 N HN -0.062 nan 8.380 nan 0.000 0.536 205 I N 3.041 123.538 120.570 -0.122 0.000 2.381 205 I HA -0.209 3.961 4.170 0.000 0.000 0.255 205 I C 2.161 178.398 176.117 0.199 0.000 1.140 205 I CA 0.935 62.322 61.300 0.144 0.000 1.404 205 I CB -0.312 37.749 38.000 0.101 0.000 1.075 205 I HN 0.173 nan 8.210 nan 0.000 0.433 206 A N -1.137 121.718 122.820 0.059 0.000 1.978 206 A HA -0.188 4.132 4.320 0.000 0.000 0.220 206 A C 2.365 179.953 177.584 0.006 0.000 1.170 206 A CA 1.974 54.029 52.037 0.030 0.000 0.636 206 A CB -0.870 18.118 19.000 -0.021 0.000 0.810 206 A HN 0.458 nan 8.150 nan 0.000 0.448 207 S N -1.075 114.591 115.700 -0.057 0.000 2.603 207 S HA 0.082 4.552 4.470 0.000 0.000 0.229 207 S C 0.193 174.505 174.600 -0.480 0.000 0.972 207 S CA 0.464 58.498 58.200 -0.276 0.000 0.935 207 S CB -0.366 62.585 63.200 -0.414 0.000 0.769 207 S HN 0.552 nan 8.310 nan 0.000 0.536 208 F N 0.612 120.536 119.950 -0.044 0.000 2.791 208 F HA 0.404 4.931 4.527 0.000 0.000 0.308 208 F C 1.369 177.196 175.800 0.044 0.000 1.138 208 F CA -0.675 57.315 58.000 -0.017 0.000 1.294 208 F CB 0.001 38.970 39.000 -0.053 0.000 0.975 208 F HN 0.131 nan 8.300 nan 0.000 0.512 209 G N 0.867 109.752 108.800 0.142 0.000 2.246 209 G HA2 -0.102 3.858 3.960 0.000 0.000 0.273 209 G HA3 -0.102 3.858 3.960 0.000 0.000 0.273 209 G C 0.437 175.415 174.900 0.131 0.000 1.055 209 G CA -0.007 45.165 45.100 0.121 0.000 0.851 209 G HN 0.812 nan 8.290 nan 0.000 0.500 210 G N -0.834 108.050 108.800 0.139 0.000 2.454 210 G HA2 0.540 4.500 3.960 0.000 0.000 0.329 210 G HA3 0.540 4.500 3.960 0.000 0.000 0.329 210 G C -0.424 174.527 174.900 0.084 0.000 1.177 210 G CA -0.497 44.677 45.100 0.123 0.000 0.951 210 G HN 0.514 nan 8.290 nan 0.000 0.485 211 N N 1.583 120.326 118.700 0.071 0.000 2.589 211 N HA 0.309 5.049 4.740 0.000 0.000 0.232 211 N C -1.002 174.544 175.510 0.061 0.000 1.015 211 N CA -2.356 50.722 53.050 0.045 0.000 0.931 211 N CB 1.710 40.208 38.487 0.019 0.000 1.150 211 N HN 0.113 nan 8.380 nan 0.000 0.512 212 P HA -0.093 nan 4.420 nan 0.000 0.222 212 P C 0.922 178.305 177.300 0.139 0.000 1.142 212 P CA 0.879 64.034 63.100 0.091 0.000 0.788 212 P CB 0.150 31.877 31.700 0.046 0.000 0.767 213 G N -0.824 107.998 108.800 0.036 0.000 2.777 213 G HA2 -0.044 3.916 3.960 0.000 0.000 0.211 213 G HA3 -0.044 3.916 3.960 0.000 0.000 0.211 213 G C 0.892 175.562 174.900 -0.385 0.000 1.149 213 G CA 0.213 45.245 45.100 -0.112 0.000 0.785 213 G HN 0.378 nan 8.290 nan 0.000 0.536 214 S N 0.481 116.135 115.700 -0.077 0.000 2.272 214 S HA 0.453 4.924 4.470 0.000 0.000 0.207 214 S C -0.308 174.416 174.600 0.206 0.000 1.336 214 S CA -0.490 57.700 58.200 -0.016 0.000 1.259 214 S CB -0.026 63.144 63.200 -0.050 0.000 1.130 214 S HN -0.036 nan 8.310 nan 0.000 0.444 215 V N 2.642 122.835 119.914 0.466 0.000 2.546 215 V HA 0.487 4.607 4.120 0.000 0.000 0.284 215 V C 0.376 176.610 176.094 0.232 0.000 1.050 215 V CA -0.256 62.207 62.300 0.272 0.000 0.981 215 V CB 1.446 33.394 31.823 0.208 0.000 0.990 215 V HN 0.584 nan 8.190 nan 0.000 0.474 216 T N 5.858 120.512 114.554 0.168 0.000 2.824 216 T HA 0.665 5.015 4.350 0.000 0.000 0.282 216 T C -0.289 174.519 174.700 0.179 0.000 0.993 216 T CA -0.267 61.920 62.100 0.145 0.000 0.967 216 T CB 1.300 70.199 68.868 0.052 0.000 0.960 216 T HN 0.656 nan 8.240 nan 0.000 0.441 217 I N 0.935 121.590 120.570 0.141 0.000 2.460 217 I HA 0.912 5.082 4.170 0.000 0.000 0.298 217 I C -1.184 175.111 176.117 0.296 0.000 0.989 217 I CA -1.198 60.189 61.300 0.146 0.000 1.173 217 I CB 1.369 39.237 38.000 -0.220 0.000 1.338 217 I HN 0.543 nan 8.210 nan 0.000 0.456 218 F N 2.785 122.744 119.950 0.014 0.000 2.596 218 F HA 0.967 5.494 4.527 0.000 0.000 0.311 218 F C -0.537 175.207 175.800 -0.093 0.000 1.116 218 F CA -1.567 56.478 58.000 0.075 0.000 0.957 218 F CB 1.148 40.317 39.000 0.281 0.000 1.250 218 F HN 0.783 nan 8.300 nan 0.000 0.444 219 G N 1.334 109.978 108.800 -0.261 0.000 2.690 219 G HA2 0.536 4.496 3.960 0.000 0.000 0.293 219 G HA3 0.536 4.496 3.960 0.000 0.000 0.293 219 G C -2.275 172.389 174.900 -0.392 0.000 1.399 219 G CA -0.761 43.834 45.100 -0.842 0.000 0.890 219 G HN 0.763 nan 8.290 nan 0.000 0.485 220 E N 0.495 120.424 120.200 -0.453 0.000 2.199 220 E HA 0.602 4.952 4.350 0.000 0.000 0.269 220 E C 0.604 177.230 176.600 0.043 0.000 0.899 220 E CA 0.107 56.526 56.400 0.031 0.000 0.772 220 E CB 1.988 31.874 29.700 0.310 0.000 1.155 220 E HN 0.678 nan 8.360 nan 0.000 0.408 221 S N 2.744 118.536 115.700 0.153 0.000 3.961 221 S HA -0.384 4.086 4.470 0.000 0.000 0.627 221 S C 1.447 176.139 174.600 0.153 0.000 2.148 221 S CA 1.740 60.119 58.200 0.298 0.000 4.099 221 S CB -1.504 61.933 63.200 0.394 0.000 0.219 221 S HN 0.911 nan 8.310 nan 0.000 0.744 222 A N 0.758 123.655 122.820 0.128 0.000 1.997 222 A HA 0.020 4.340 4.320 0.000 0.000 0.221 222 A C 2.431 179.978 177.584 -0.061 0.000 1.172 222 A CA 2.727 54.779 52.037 0.025 0.000 0.645 222 A CB -1.585 17.432 19.000 0.030 0.000 0.813 222 A HN 1.662 nan 8.150 nan 0.000 0.454 223 G N -1.030 107.694 108.800 -0.126 0.000 2.421 223 G HA2 0.123 4.084 3.960 0.000 0.000 0.217 223 G HA3 0.123 4.084 3.960 0.000 0.000 0.217 223 G C 1.438 176.173 174.900 -0.275 0.000 1.143 223 G CA 1.121 46.027 45.100 -0.323 0.000 0.784 223 G HN 0.682 nan 8.290 nan 0.000 0.541 224 G N 0.397 109.114 108.800 -0.139 0.000 2.402 224 G HA2 -0.145 3.815 3.960 0.000 0.000 0.216 224 G HA3 -0.145 3.815 3.960 0.000 0.000 0.216 224 G C 1.533 176.400 174.900 -0.056 0.000 1.162 224 G CA 1.078 46.145 45.100 -0.056 0.000 0.777 224 G HN 0.429 nan 8.290 nan 0.000 0.539 225 E N 1.023 121.192 120.200 -0.052 0.000 2.051 225 E HA -0.131 4.220 4.350 0.000 0.000 0.192 225 E C 2.609 179.126 176.600 -0.137 0.000 0.991 225 E CA 1.387 57.741 56.400 -0.076 0.000 0.799 225 E CB -0.275 29.384 29.700 -0.068 0.000 0.748 225 E HN 0.346 nan 8.360 nan 0.000 0.449 226 S N 0.467 116.078 115.700 -0.148 0.000 2.353 226 S HA -0.161 4.309 4.470 0.000 0.000 0.222 226 S C 2.209 176.631 174.600 -0.297 0.000 1.035 226 S CA 1.470 59.539 58.200 -0.218 0.000 1.025 226 S CB -0.475 62.591 63.200 -0.223 0.000 0.902 226 S HN 0.175 nan 8.310 nan 0.000 0.440 227 V N 1.590 121.336 119.914 -0.280 0.000 2.282 227 V HA -0.203 3.917 4.120 0.000 0.000 0.249 227 V C 2.584 178.480 176.094 -0.329 0.000 1.057 227 V CA 2.079 64.182 62.300 -0.328 0.000 1.032 227 V CB -1.047 30.643 31.823 -0.222 0.000 0.645 227 V HN 0.581 nan 8.190 nan 0.000 0.447 228 S N -0.624 114.963 115.700 -0.189 0.000 2.399 228 S HA -0.151 4.319 4.470 0.000 0.000 0.231 228 S C 1.875 176.337 174.600 -0.229 0.000 1.022 228 S CA 1.709 59.825 58.200 -0.139 0.000 0.983 228 S CB -0.180 63.006 63.200 -0.022 0.000 0.803 228 S HN 0.367 nan 8.310 nan 0.000 0.480 229 V N 1.672 121.420 119.914 -0.276 0.000 2.407 229 V HA -0.021 4.099 4.120 0.000 0.000 0.245 229 V C 2.275 178.187 176.094 -0.303 0.000 1.041 229 V CA 1.420 63.528 62.300 -0.320 0.000 1.040 229 V CB -0.586 30.954 31.823 -0.472 0.000 0.671 229 V HN 0.462 nan 8.190 nan 0.000 0.455 230 L N -0.356 120.675 121.223 -0.320 0.000 2.201 230 L HA -0.107 4.233 4.340 0.000 0.000 0.212 230 L C 2.360 179.174 176.870 -0.093 0.000 1.105 230 L CA 0.770 55.469 54.840 -0.236 0.000 0.775 230 L CB -0.575 41.256 42.059 -0.379 0.000 0.913 230 L HN 0.197 nan 8.230 nan 0.000 0.440 231 V N -0.052 119.747 119.914 -0.191 0.000 2.626 231 V HA -0.215 3.905 4.120 0.000 0.000 0.252 231 V C 2.116 178.042 176.094 -0.279 0.000 1.067 231 V CA 1.393 63.638 62.300 -0.093 0.000 1.081 231 V CB -0.169 31.453 31.823 -0.335 0.000 0.686 231 V HN 0.389 nan 8.190 nan 0.000 0.468 232 L N -0.974 120.043 121.223 -0.344 0.000 2.416 232 L HA 0.153 4.493 4.340 0.000 0.000 0.216 232 L C 1.406 178.125 176.870 -0.252 0.000 1.098 232 L CA 0.223 54.792 54.840 -0.451 0.000 0.840 232 L CB -0.011 41.835 42.059 -0.354 0.000 0.981 232 L HN 0.231 nan 8.230 nan 0.000 0.462 233 S N 0.043 115.648 115.700 -0.158 0.000 2.564 233 S HA 0.165 4.635 4.470 0.000 0.000 0.278 233 S C -1.599 172.989 174.600 -0.020 0.000 1.333 233 S CA -1.163 56.984 58.200 -0.088 0.000 1.048 233 S CB 1.165 64.312 63.200 -0.088 0.000 0.900 233 S HN -0.099 nan 8.310 nan 0.000 0.505 234 P HA 0.092 nan 4.420 nan 0.000 0.221 234 P C 1.231 178.544 177.300 0.021 0.000 1.155 234 P CA 0.656 63.764 63.100 0.014 0.000 0.812 234 P CB 0.053 31.755 31.700 0.005 0.000 0.801 235 L N -0.981 120.252 121.223 0.017 0.000 2.191 235 L HA -0.101 4.239 4.340 0.000 0.000 0.212 235 L C 2.205 179.108 176.870 0.055 0.000 1.103 235 L CA 1.384 56.242 54.840 0.030 0.000 0.769 235 L CB -1.005 41.069 42.059 0.025 0.000 0.908 235 L HN -0.026 nan 8.230 nan 0.000 0.438 236 A N -0.395 122.472 122.820 0.078 0.000 2.169 236 A HA -0.068 4.252 4.320 0.000 0.000 0.212 236 A C 1.223 178.907 177.584 0.168 0.000 1.153 236 A CA -0.076 52.059 52.037 0.163 0.000 0.756 236 A CB -0.200 18.943 19.000 0.239 0.000 0.813 236 A HN 0.213 nan 8.150 nan 0.000 0.471 237 K N 1.461 121.921 120.400 0.101 0.000 2.477 237 K HA -0.123 4.197 4.320 0.000 0.000 0.275 237 K C -0.291 176.324 176.600 0.025 0.000 1.054 237 K CA 0.815 57.147 56.287 0.076 0.000 1.135 237 K CB -0.189 32.303 32.500 -0.013 0.000 0.854 237 K HN 0.513 nan 8.250 nan 0.000 0.484 238 N N 2.359 121.077 118.700 0.030 0.000 2.901 238 N HA -0.210 4.530 4.740 0.000 0.000 0.248 238 N C 0.195 175.648 175.510 -0.096 0.000 1.044 238 N CA 0.992 54.030 53.050 -0.021 0.000 0.847 238 N CB -1.013 37.476 38.487 0.003 0.000 1.127 238 N HN 0.584 nan 8.380 nan 0.000 0.562 239 L N -0.791 120.377 121.223 -0.092 0.000 2.590 239 L HA 0.255 4.595 4.340 0.000 0.000 0.227 239 L C 0.419 177.290 176.870 0.001 0.000 1.099 239 L CA 0.305 55.157 54.840 0.019 0.000 0.872 239 L CB 0.012 42.160 42.059 0.147 0.000 1.088 239 L HN 0.160 nan 8.230 nan 0.000 0.479 240 F N -3.978 115.730 119.950 -0.402 0.000 2.685 240 F HA 0.491 5.018 4.527 0.000 0.000 0.315 240 F C 0.374 175.737 175.800 -0.728 0.000 1.126 240 F CA -0.999 56.707 58.000 -0.490 0.000 0.950 240 F CB 0.836 39.708 39.000 -0.213 0.000 1.360 240 F HN -0.118 nan 8.300 nan 0.000 0.469 241 H N -0.238 118.843 119.070 0.018 0.000 3.398 241 H HA 0.429 4.985 4.556 0.000 0.000 0.260 241 H C -0.642 174.646 175.328 -0.065 0.000 1.189 241 H CA -0.213 55.754 56.048 -0.135 0.000 1.145 241 H CB 0.757 30.464 29.762 -0.092 0.000 1.599 241 H HN 0.531 nan 8.280 nan 0.000 0.615 242 R N 0.537 121.152 120.500 0.191 0.000 2.579 242 R HA 0.682 5.022 4.340 0.000 0.000 0.260 242 R C -1.413 175.058 176.300 0.285 0.000 1.103 242 R CA -0.638 55.543 56.100 0.135 0.000 0.942 242 R CB 2.328 32.554 30.300 -0.123 0.000 1.251 242 R HN 0.094 nan 8.270 nan 0.000 0.450 243 A N 2.990 125.994 122.820 0.306 0.000 2.413 243 A HA 0.882 5.203 4.320 0.000 0.000 0.307 243 A C -0.906 176.863 177.584 0.308 0.000 1.087 243 A CA -0.782 51.334 52.037 0.133 0.000 0.750 243 A CB 1.326 20.159 19.000 -0.277 0.000 1.296 243 A HN 0.641 nan 8.150 nan 0.000 0.423 244 I N 1.303 122.004 120.570 0.220 0.000 2.529 244 I HA 0.257 4.427 4.170 0.000 0.000 0.284 244 I C -0.415 175.838 176.117 0.226 0.000 1.088 244 I CA -0.131 61.272 61.300 0.170 0.000 1.062 244 I CB 2.269 40.270 38.000 0.000 0.000 1.218 244 I HN 0.473 nan 8.210 nan 0.000 0.442 245 S N 5.147 120.977 115.700 0.216 0.000 2.437 245 S HA 0.417 4.887 4.470 0.000 0.000 0.305 245 S C -0.493 174.184 174.600 0.128 0.000 1.109 245 S CA -0.653 57.634 58.200 0.146 0.000 1.099 245 S CB 1.137 64.416 63.200 0.133 0.000 1.004 245 S HN 0.472 nan 8.310 nan 0.000 0.475 246 E N 1.649 121.969 120.200 0.199 0.000 2.114 246 E HA 0.374 4.724 4.350 0.000 0.000 0.266 246 E C -0.555 176.166 176.600 0.201 0.000 0.896 246 E CA -0.614 55.952 56.400 0.277 0.000 0.750 246 E CB 1.242 31.208 29.700 0.442 0.000 1.121 246 E HN 0.614 nan 8.360 nan 0.000 0.413 247 S N 1.850 117.653 115.700 0.171 0.000 3.697 247 S HA -0.125 4.345 4.470 0.000 0.000 0.388 247 S C 0.048 174.944 174.600 0.493 0.000 0.941 247 S CA 0.544 58.892 58.200 0.246 0.000 1.247 247 S CB -1.137 62.140 63.200 0.129 0.000 0.904 247 S HN 0.977 nan 8.310 nan 0.000 0.518 248 G N -1.012 108.002 108.800 0.357 0.000 2.146 248 G HA2 0.508 4.468 3.960 0.000 0.000 0.261 248 G HA3 0.508 4.468 3.960 0.000 0.000 0.261 248 G C -0.787 174.157 174.900 0.073 0.000 1.745 248 G CA 0.150 45.400 45.100 0.250 0.000 0.905 248 G HN 1.534 nan 8.290 nan 0.000 0.746 249 V N -0.872 119.038 119.914 -0.008 0.000 3.103 249 V HA 0.946 5.066 4.120 0.000 0.000 0.311 249 V C 1.289 177.333 176.094 -0.084 0.000 1.322 249 V CA -0.026 62.253 62.300 -0.035 0.000 1.063 249 V CB 1.174 32.972 31.823 -0.041 0.000 1.090 249 V HN 2.168 nan 8.190 nan 0.000 0.462 250 A N -0.608 122.161 122.820 -0.085 0.000 2.239 250 A HA 0.311 4.631 4.320 0.000 0.000 0.209 250 A C 1.409 178.919 177.584 -0.124 0.000 1.171 250 A CA 1.106 53.074 52.037 -0.115 0.000 0.768 250 A CB -0.771 18.156 19.000 -0.121 0.000 0.790 250 A HN 0.789 nan 8.150 nan 0.000 0.478 251 L N -0.611 120.537 121.223 -0.124 0.000 2.728 251 L HA 0.082 4.422 4.340 0.000 0.000 0.238 251 L C 0.189 176.940 176.870 -0.197 0.000 1.143 251 L CA 0.011 54.764 54.840 -0.144 0.000 0.937 251 L CB 0.156 42.147 42.059 -0.113 0.000 1.225 251 L HN 0.083 nan 8.230 nan 0.000 0.507 252 T N 0.236 114.656 114.554 -0.223 0.000 3.842 252 T HA 0.058 4.409 4.350 0.000 0.000 0.267 252 T C 1.444 175.969 174.700 -0.291 0.000 1.173 252 T CA 0.029 61.937 62.100 -0.320 0.000 1.142 252 T CB 0.401 69.045 68.868 -0.373 0.000 1.191 252 T HN 0.198 nan 8.240 nan 0.000 0.895 253 S N 2.374 117.903 115.700 -0.284 0.000 2.420 253 S HA -0.240 4.230 4.470 0.000 0.000 0.278 253 S C 2.326 176.779 174.600 -0.246 0.000 1.111 253 S CA 1.827 59.867 58.200 -0.267 0.000 1.315 253 S CB -0.964 62.053 63.200 -0.305 0.000 1.226 253 S HN 0.629 nan 8.310 nan 0.000 0.444 254 V N 1.612 121.369 119.914 -0.261 0.000 2.481 254 V HA -0.244 3.876 4.120 0.000 0.000 0.263 254 V C 1.642 177.623 176.094 -0.188 0.000 1.108 254 V CA 2.223 64.394 62.300 -0.216 0.000 1.113 254 V CB -0.460 31.241 31.823 -0.204 0.000 0.684 254 V HN 0.530 nan 8.190 nan 0.000 0.467 255 L N -0.959 120.147 121.223 -0.196 0.000 2.529 255 L HA 0.204 4.544 4.340 0.000 0.000 0.223 255 L C 0.328 177.096 176.870 -0.171 0.000 1.113 255 L CA -0.073 54.656 54.840 -0.184 0.000 0.861 255 L CB 0.480 42.439 42.059 -0.166 0.000 1.012 255 L HN 0.115 nan 8.230 nan 0.000 0.461 256 V N 1.124 120.942 119.914 -0.160 0.000 2.378 256 V HA 0.269 4.389 4.120 0.000 0.000 0.288 256 V C -0.262 175.755 176.094 -0.127 0.000 1.016 256 V CA -0.933 61.287 62.300 -0.133 0.000 0.840 256 V CB 1.562 33.307 31.823 -0.130 0.000 0.994 256 V HN 0.017 nan 8.190 nan 0.000 0.431 257 K N 5.516 125.851 120.400 -0.108 0.000 2.273 257 K HA 0.286 4.606 4.320 0.000 0.000 0.287 257 K C 0.053 176.602 176.600 -0.085 0.000 1.089 257 K CA -0.195 56.035 56.287 -0.095 0.000 0.909 257 K CB 0.708 33.159 32.500 -0.082 0.000 1.123 257 K HN 0.777 nan 8.250 nan 0.000 0.473 258 K N 0.907 121.255 120.400 -0.086 0.000 2.185 258 K HA 0.722 5.043 4.320 0.000 0.000 0.269 258 K C 0.218 176.785 176.600 -0.056 0.000 0.987 258 K CA -0.814 55.429 56.287 -0.074 0.000 0.865 258 K CB 1.406 33.857 32.500 -0.082 0.000 1.090 258 K HN 0.546 nan 8.250 nan 0.000 0.450 259 G N 1.667 110.439 108.800 -0.048 0.000 2.408 259 G HA2 -0.159 3.801 3.960 0.000 0.000 0.682 259 G HA3 -0.159 3.801 3.960 0.000 0.000 0.682 259 G C -1.644 173.234 174.900 -0.035 0.000 1.303 259 G CA -0.767 44.313 45.100 -0.034 0.000 0.966 259 G HN 0.799 nan 8.290 nan 0.000 0.560 260 D N -0.040 120.345 120.400 -0.026 0.000 2.389 260 D HA 0.288 4.928 4.640 0.000 0.000 0.263 260 D C 1.831 178.111 176.300 -0.033 0.000 1.255 260 D CA 0.790 54.773 54.000 -0.028 0.000 0.914 260 D CB 1.144 41.934 40.800 -0.017 0.000 1.116 260 D HN 1.288 nan 8.370 nan 0.000 0.502 261 V N 2.120 122.004 119.914 -0.051 0.000 3.506 261 V HA 0.060 4.180 4.120 0.000 0.000 0.263 261 V C 2.117 178.172 176.094 -0.065 0.000 1.203 261 V CA 0.479 62.741 62.300 -0.063 0.000 1.133 261 V CB -0.353 31.411 31.823 -0.098 0.000 0.802 261 V HN 0.296 nan 8.190 nan 0.000 0.459 262 K N 2.061 122.427 120.400 -0.056 0.000 2.077 262 K HA -0.117 4.203 4.320 0.000 0.000 0.213 262 K C -0.106 176.482 176.600 -0.020 0.000 1.051 262 K CA 2.643 58.903 56.287 -0.045 0.000 0.929 262 K CB -1.741 30.744 32.500 -0.026 0.000 0.715 262 K HN 0.444 nan 8.250 nan 0.000 0.451 263 P HA -0.210 nan 4.420 nan 0.000 0.214 263 P C 1.455 178.768 177.300 0.022 0.000 1.169 263 P CA 1.250 64.355 63.100 0.008 0.000 0.908 263 P CB -0.043 31.662 31.700 0.009 0.000 0.791 264 L N -1.173 120.063 121.223 0.022 0.000 2.012 264 L HA -0.248 4.092 4.340 0.000 0.000 0.210 264 L C 2.201 179.119 176.870 0.080 0.000 1.073 264 L CA 2.023 56.895 54.840 0.053 0.000 0.748 264 L CB -1.013 41.076 42.059 0.050 0.000 0.891 264 L HN -0.038 nan 8.230 nan 0.000 0.431 265 A N -0.032 122.808 122.820 0.034 0.000 1.859 265 A HA -0.306 4.014 4.320 0.000 0.000 0.217 265 A C 1.983 179.668 177.584 0.168 0.000 1.198 265 A CA 2.165 54.257 52.037 0.092 0.000 0.629 265 A CB -0.758 18.185 19.000 -0.094 0.000 0.830 265 A HN 0.579 nan 8.150 nan 0.000 0.446 266 E N -0.628 119.623 120.200 0.085 0.000 2.130 266 E HA -0.257 4.093 4.350 0.000 0.000 0.196 266 E C 2.358 178.994 176.600 0.061 0.000 0.998 266 E CA 1.430 57.870 56.400 0.068 0.000 0.806 266 E CB -0.213 29.509 29.700 0.037 0.000 0.738 266 E HN 0.711 nan 8.360 nan 0.000 0.459 267 Q N 0.317 120.153 119.800 0.060 0.000 2.020 267 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 267 Q C 2.414 178.444 176.000 0.051 0.000 0.982 267 Q CA 1.223 57.053 55.803 0.045 0.000 0.838 267 Q CB -0.180 28.584 28.738 0.043 0.000 0.899 267 Q HN 0.374 nan 8.270 nan 0.000 0.423 268 I N 0.683 121.312 120.570 0.097 0.000 2.151 268 I HA -0.323 3.847 4.170 0.000 0.000 0.243 268 I C 2.486 178.619 176.117 0.027 0.000 1.080 268 I CA 1.109 62.465 61.300 0.094 0.000 1.339 268 I CB -0.535 37.579 38.000 0.191 0.000 1.039 268 I HN 0.171 nan 8.210 nan 0.000 0.409 269 A N 1.205 124.052 122.820 0.044 0.000 1.877 269 A HA -0.189 4.131 4.320 0.000 0.000 0.216 269 A C 2.308 179.885 177.584 -0.012 0.000 1.186 269 A CA 1.607 53.638 52.037 -0.009 0.000 0.620 269 A CB -0.872 18.146 19.000 0.031 0.000 0.822 269 A HN 0.382 nan 8.150 nan 0.000 0.443 270 I N -0.156 120.418 120.570 0.006 0.000 2.208 270 I HA -0.255 3.915 4.170 0.000 0.000 0.245 270 I C 2.522 178.632 176.117 -0.012 0.000 1.097 270 I CA 1.842 63.141 61.300 -0.002 0.000 1.363 270 I CB -0.708 37.294 38.000 0.003 0.000 1.051 270 I HN 0.294 nan 8.210 nan 0.000 0.413 271 T N 0.680 115.226 114.554 -0.013 0.000 2.788 271 T HA -0.111 4.239 4.350 0.000 0.000 0.268 271 T C 1.789 176.473 174.700 -0.027 0.000 1.044 271 T CA 1.347 63.434 62.100 -0.022 0.000 1.139 271 T CB -0.256 68.596 68.868 -0.027 0.000 0.867 271 T HN 0.485 nan 8.240 nan 0.000 0.454 272 A N 0.472 123.271 122.820 -0.036 0.000 2.238 272 A HA 0.528 4.848 4.320 0.000 0.000 0.208 272 A C 1.674 179.235 177.584 -0.039 0.000 1.177 272 A CA 0.555 52.564 52.037 -0.047 0.000 0.804 272 A CB -0.692 18.259 19.000 -0.082 0.000 0.823 272 A HN 0.793 nan 8.150 nan 0.000 0.482 273 G N -1.584 107.198 108.800 -0.029 0.000 2.248 273 G HA2 -0.189 3.772 3.960 0.000 0.000 0.252 273 G HA3 -0.189 3.772 3.960 0.000 0.000 0.252 273 G C -0.095 174.792 174.900 -0.021 0.000 1.085 273 G CA -0.062 45.025 45.100 -0.022 0.000 0.845 273 G HN 0.593 nan 8.290 nan 0.000 0.494 274 c N -0.333 118.255 118.600 -0.021 0.000 2.529 274 c HA 0.726 5.296 4.570 0.000 0.000 0.329 274 c C 0.823 174.911 174.090 -0.004 0.000 1.194 274 c CA -0.997 55.323 56.329 -0.016 0.000 1.779 274 c CB 1.647 44.139 42.510 -0.029 0.000 2.322 274 c HN 0.600 nan 8.230 nan 0.000 0.500 275 K N 0.672 121.074 120.400 0.002 0.000 2.202 275 K HA 0.343 4.663 4.320 0.000 0.000 0.264 275 K C 0.870 177.474 176.600 0.008 0.000 1.010 275 K CA 0.199 56.489 56.287 0.005 0.000 0.940 275 K CB 0.528 33.032 32.500 0.007 0.000 0.983 275 K HN 0.867 nan 8.250 nan 0.000 0.475 276 T N -2.703 111.856 114.554 0.007 0.000 3.182 276 T HA 0.038 4.388 4.350 0.000 0.000 0.277 276 T C 1.054 175.756 174.700 0.003 0.000 1.013 276 T CA -0.343 61.764 62.100 0.012 0.000 0.900 276 T CB -0.029 68.848 68.868 0.015 0.000 1.098 276 T HN 0.484 nan 8.240 nan 0.000 0.543 277 T N 2.800 117.352 114.554 -0.003 0.000 2.684 277 T HA -0.113 4.237 4.350 0.000 0.000 0.267 277 T C 1.173 175.862 174.700 -0.019 0.000 1.032 277 T CA 2.108 64.202 62.100 -0.010 0.000 1.155 277 T CB -0.623 68.237 68.868 -0.014 0.000 0.857 277 T HN 0.897 nan 8.240 nan 0.000 0.457 278 T N -2.893 111.644 114.554 -0.029 0.000 2.769 278 T HA 0.490 4.841 4.350 0.000 0.000 0.306 278 T C 0.884 175.549 174.700 -0.057 0.000 1.400 278 T CA -0.228 61.842 62.100 -0.050 0.000 1.007 278 T CB 1.529 70.346 68.868 -0.085 0.000 1.392 278 T HN -0.156 nan 8.240 nan 0.000 0.500 279 S N 0.638 116.292 115.700 -0.076 0.000 2.351 279 S HA -0.035 4.435 4.470 0.000 0.000 0.220 279 S C 2.560 177.101 174.600 -0.099 0.000 1.035 279 S CA 1.499 59.673 58.200 -0.044 0.000 1.031 279 S CB -1.128 62.084 63.200 0.020 0.000 0.928 279 S HN 1.031 nan 8.310 nan 0.000 0.433 280 A N 1.092 123.683 122.820 -0.381 0.000 1.948 280 A HA -0.103 4.217 4.320 0.000 0.000 0.220 280 A C 2.352 179.887 177.584 -0.082 0.000 1.177 280 A CA 1.689 53.525 52.037 -0.335 0.000 0.636 280 A CB -1.014 17.614 19.000 -0.619 0.000 0.815 280 A HN 0.342 nan 8.150 nan 0.000 0.449 281 V N -0.230 119.637 119.914 -0.078 0.000 2.343 281 V HA -0.313 3.808 4.120 0.000 0.000 0.247 281 V C 2.642 178.767 176.094 0.052 0.000 1.051 281 V CA 2.250 64.548 62.300 -0.003 0.000 1.036 281 V CB -0.584 31.228 31.823 -0.019 0.000 0.654 281 V HN 0.600 nan 8.190 nan 0.000 0.451 282 M N -0.823 118.798 119.600 0.036 0.000 2.086 282 M HA -0.151 4.329 4.480 0.000 0.000 0.261 282 M C 2.186 178.503 176.300 0.029 0.000 1.067 282 M CA 1.644 56.972 55.300 0.046 0.000 1.116 282 M CB -0.513 32.145 32.600 0.097 0.000 1.348 282 M HN 0.262 nan 8.290 nan 0.000 0.407 283 V N -0.519 119.446 119.914 0.085 0.000 2.295 283 V HA -0.303 3.817 4.120 0.000 0.000 0.246 283 V C 2.247 178.391 176.094 0.084 0.000 1.049 283 V CA 2.452 64.792 62.300 0.067 0.000 1.024 283 V CB -1.216 30.707 31.823 0.166 0.000 0.648 283 V HN 0.488 nan 8.190 nan 0.000 0.447 284 H N -0.443 118.642 119.070 0.025 0.000 2.290 284 H HA -0.233 4.323 4.556 0.000 0.000 0.298 284 H C 2.391 177.723 175.328 0.006 0.000 1.087 284 H CA 2.394 58.456 56.048 0.023 0.000 1.291 284 H CB -0.684 29.083 29.762 0.008 0.000 1.369 284 H HN 0.439 nan 8.280 nan 0.000 0.492 285 c N 0.033 118.640 118.600 0.013 0.000 2.413 285 c HA -0.108 4.462 4.570 0.000 0.000 0.277 285 c C 2.772 176.797 174.090 -0.108 0.000 1.265 285 c CA 1.155 57.450 56.329 -0.056 0.000 1.752 285 c CB -1.491 41.019 42.510 -0.000 0.000 1.998 285 c HN 0.659 nan 8.230 nan 0.000 0.489 286 L N 0.038 121.198 121.223 -0.105 0.000 2.109 286 L HA -0.038 4.303 4.340 0.000 0.000 0.207 286 L C 2.994 179.855 176.870 -0.015 0.000 1.086 286 L CA 1.159 55.935 54.840 -0.105 0.000 0.760 286 L CB -0.667 41.230 42.059 -0.270 0.000 0.910 286 L HN 0.312 nan 8.230 nan 0.000 0.437 287 R N -0.204 120.299 120.500 0.004 0.000 2.152 287 R HA -0.155 4.185 4.340 0.000 0.000 0.232 287 R C 2.146 178.370 176.300 -0.127 0.000 1.117 287 R CA 0.900 56.967 56.100 -0.054 0.000 0.981 287 R CB -0.188 30.073 30.300 -0.064 0.000 0.870 287 R HN 0.445 nan 8.270 nan 0.000 0.451 288 Q N 0.791 120.488 119.800 -0.172 0.000 2.230 288 Q HA 0.016 4.356 4.340 0.000 0.000 0.202 288 Q C 0.391 176.336 176.000 -0.091 0.000 0.963 288 Q CA 0.807 56.520 55.803 -0.150 0.000 0.866 288 Q CB 0.014 28.644 28.738 -0.180 0.000 0.931 288 Q HN 0.058 nan 8.270 nan 0.000 0.452 289 K N 2.178 122.528 120.400 -0.083 0.000 2.414 289 K HA 0.053 4.374 4.320 0.000 0.000 0.272 289 K C 0.637 177.219 176.600 -0.031 0.000 0.993 289 K CA 0.166 56.419 56.287 -0.057 0.000 0.964 289 K CB 0.237 32.694 32.500 -0.072 0.000 0.925 289 K HN 0.247 nan 8.250 nan 0.000 0.487 290 T N -2.413 112.139 114.554 -0.004 0.000 2.816 290 T HA 0.082 4.432 4.350 0.000 0.000 0.282 290 T C 1.324 176.078 174.700 0.090 0.000 0.993 290 T CA -0.598 61.518 62.100 0.027 0.000 0.994 290 T CB 1.172 70.052 68.868 0.020 0.000 1.025 290 T HN 0.619 nan 8.240 nan 0.000 0.529 291 E N 0.353 120.634 120.200 0.134 0.000 2.058 291 E HA -0.238 4.112 4.350 0.000 0.000 0.194 291 E C 1.760 178.511 176.600 0.251 0.000 0.997 291 E CA 1.583 58.144 56.400 0.269 0.000 0.801 291 E CB -0.137 29.634 29.700 0.119 0.000 0.746 291 E HN 0.781 nan 8.360 nan 0.000 0.450 292 E N 0.808 121.083 120.200 0.124 0.000 2.085 292 E HA -0.192 4.158 4.350 0.000 0.000 0.194 292 E C 1.958 178.617 176.600 0.099 0.000 0.994 292 E CA 1.487 57.945 56.400 0.097 0.000 0.801 292 E CB -0.087 29.642 29.700 0.049 0.000 0.743 292 E HN 0.371 nan 8.360 nan 0.000 0.453 293 E N 0.058 120.302 120.200 0.073 0.000 2.077 293 E HA -0.165 4.185 4.350 0.000 0.000 0.193 293 E C 2.036 178.658 176.600 0.037 0.000 0.989 293 E CA 0.870 57.293 56.400 0.038 0.000 0.800 293 E CB -0.099 29.606 29.700 0.009 0.000 0.746 293 E HN 0.247 nan 8.360 nan 0.000 0.452 294 L N 0.386 121.643 121.223 0.057 0.000 2.109 294 L HA -0.136 4.204 4.340 0.000 0.000 0.207 294 L C 2.472 179.410 176.870 0.113 0.000 1.086 294 L CA 0.192 54.999 54.840 -0.054 0.000 0.760 294 L CB -0.242 41.613 42.059 -0.340 0.000 0.910 294 L HN 0.207 nan 8.230 nan 0.000 0.437 295 L N 0.167 121.606 121.223 0.359 0.000 2.083 295 L HA -0.192 4.148 4.340 0.000 0.000 0.209 295 L C 2.292 179.276 176.870 0.189 0.000 1.083 295 L CA 1.755 56.822 54.840 0.379 0.000 0.752 295 L CB -0.568 41.653 42.059 0.269 0.000 0.899 295 L HN 0.218 nan 8.230 nan 0.000 0.433 296 E N -1.420 118.852 120.200 0.120 0.000 2.106 296 E HA -0.174 4.176 4.350 0.000 0.000 0.192 296 E C 1.811 178.439 176.600 0.046 0.000 0.984 296 E CA 1.532 57.972 56.400 0.066 0.000 0.806 296 E CB 0.070 29.795 29.700 0.042 0.000 0.750 296 E HN 0.563 nan 8.360 nan 0.000 0.458 297 T N -0.186 114.390 114.554 0.037 0.000 2.812 297 T HA -0.106 4.244 4.350 0.000 0.000 0.264 297 T C 1.886 176.611 174.700 0.041 0.000 1.042 297 T CA 1.492 63.599 62.100 0.011 0.000 1.140 297 T CB -0.429 68.427 68.868 -0.019 0.000 0.870 297 T HN 0.169 nan 8.240 nan 0.000 0.445 298 T N 2.684 117.310 114.554 0.120 0.000 2.699 298 T HA -0.046 4.304 4.350 0.000 0.000 0.268 298 T C 1.931 176.724 174.700 0.155 0.000 1.036 298 T CA 1.027 63.278 62.100 0.250 0.000 1.147 298 T CB -0.502 68.567 68.868 0.334 0.000 0.862 298 T HN 0.265 nan 8.240 nan 0.000 0.446 299 L N 0.196 121.476 121.223 0.095 0.000 2.027 299 L HA -0.056 4.284 4.340 0.000 0.000 0.206 299 L C 2.705 179.554 176.870 -0.034 0.000 1.074 299 L CA 1.356 56.222 54.840 0.043 0.000 0.745 299 L CB -0.445 41.641 42.059 0.045 0.000 0.898 299 L HN 0.179 nan 8.230 nan 0.000 0.433 300 K N -0.325 120.048 120.400 -0.045 0.000 2.063 300 K HA -0.161 4.159 4.320 0.000 0.000 0.208 300 K C 1.945 178.441 176.600 -0.172 0.000 1.048 300 K CA 1.231 57.469 56.287 -0.082 0.000 0.928 300 K CB -0.148 32.316 32.500 -0.060 0.000 0.713 300 K HN 0.203 nan 8.250 nan 0.000 0.442 301 M N 1.273 120.705 119.600 -0.280 0.000 2.706 301 M HA -0.077 4.404 4.480 0.000 0.000 0.251 301 M C -0.254 175.591 176.300 -0.758 0.000 1.070 301 M CA 0.979 55.918 55.300 -0.601 0.000 1.073 301 M CB -0.903 31.091 32.600 -1.011 0.000 1.449 301 M HN 0.078 nan 8.290 nan 0.000 0.531 302 K N 0.897 121.051 120.400 -0.410 0.000 4.075 302 K HA -0.197 4.123 4.320 0.000 0.000 0.278 302 K C -0.456 176.007 176.600 -0.228 0.000 0.862 302 K CA 0.343 56.487 56.287 -0.239 0.000 0.762 302 K CB -1.815 30.593 32.500 -0.153 0.000 1.660 302 K HN 0.197 nan 8.250 nan 0.000 0.437 303 F N 0.241 120.205 119.950 0.023 0.000 2.364 303 F HA 0.288 4.815 4.527 0.000 0.000 0.316 303 F C 2.107 177.918 175.800 0.019 0.000 1.133 303 F CA -0.786 57.227 58.000 0.023 0.000 1.051 303 F CB 0.439 39.461 39.000 0.036 0.000 1.342 303 F HN 0.122 nan 8.300 nan 0.000 0.507 304 L N -0.326 121.052 121.223 0.259 0.000 4.668 304 L HA -0.306 4.034 4.340 0.000 0.000 0.439 304 L C -0.405 176.525 176.870 0.101 0.000 1.120 304 L CA 0.248 55.170 54.840 0.136 0.000 0.961 304 L CB -2.183 39.941 42.059 0.107 0.000 1.918 304 L HN 0.434 nan 8.230 nan 0.000 0.926 305 S N -0.238 115.519 115.700 0.095 0.000 2.526 305 S HA 0.643 5.113 4.470 0.000 0.000 0.293 305 S C -0.404 174.224 174.600 0.046 0.000 1.092 305 S CA -0.675 57.561 58.200 0.059 0.000 0.980 305 S CB 2.686 65.903 63.200 0.030 0.000 1.048 305 S HN 0.190 nan 8.310 nan 0.000 0.483 306 L N 3.353 124.595 121.223 0.031 0.000 2.369 306 L HA 0.334 4.674 4.340 0.000 0.000 0.279 306 L C -0.316 176.519 176.870 -0.057 0.000 1.108 306 L CA -0.050 54.778 54.840 -0.019 0.000 0.852 306 L CB 0.148 42.135 42.059 -0.120 0.000 1.169 306 L HN 0.545 nan 8.230 nan 0.000 0.452 307 D N 4.471 124.842 120.400 -0.049 0.000 2.336 307 D HA 0.097 4.737 4.640 0.000 0.000 0.249 307 D C 0.737 176.994 176.300 -0.072 0.000 1.213 307 D CA 0.167 54.135 54.000 -0.055 0.000 0.870 307 D CB 0.681 41.453 40.800 -0.047 0.000 1.076 307 D HN 0.619 nan 8.370 nan 0.000 0.483 308 L N 2.675 123.858 121.223 -0.067 0.000 2.529 308 L HA 0.069 4.409 4.340 0.000 0.000 0.223 308 L C 0.694 177.543 176.870 -0.035 0.000 1.113 308 L CA 0.229 55.032 54.840 -0.062 0.000 0.861 308 L CB -0.148 41.873 42.059 -0.063 0.000 1.012 308 L HN 0.463 nan 8.230 nan 0.000 0.461 309 Q N 0.489 120.270 119.800 -0.031 0.000 2.394 309 Q HA 0.670 5.010 4.340 0.000 0.000 0.261 309 Q C -0.385 175.605 176.000 -0.017 0.000 1.023 309 Q CA -0.506 55.288 55.803 -0.015 0.000 0.720 309 Q CB 1.971 30.702 28.738 -0.011 0.000 1.241 309 Q HN 0.068 nan 8.270 nan 0.000 0.483 310 G N 1.396 110.189 108.800 -0.012 0.000 2.361 310 G HA2 -0.048 3.912 3.960 0.000 0.000 0.305 310 G HA3 -0.048 3.912 3.960 0.000 0.000 0.305 310 G C -1.888 173.000 174.900 -0.021 0.000 1.367 310 G CA -1.016 44.077 45.100 -0.012 0.000 0.951 310 G HN 0.493 nan 8.290 nan 0.000 0.615 311 D N 0.615 121.007 120.400 -0.013 0.000 2.382 311 D HA 0.259 4.899 4.640 0.000 0.000 0.259 311 D C -1.056 175.173 176.300 -0.118 0.000 1.224 311 D CA -1.220 52.764 54.000 -0.026 0.000 0.894 311 D CB 1.697 42.501 40.800 0.006 0.000 1.127 311 D HN -0.027 nan 8.370 nan 0.000 0.487 312 P HA -0.057 nan 4.420 nan 0.000 0.223 312 P C 0.863 178.069 177.300 -0.157 0.000 1.144 312 P CA 0.874 63.752 63.100 -0.371 0.000 0.783 312 P CB 0.247 31.395 31.700 -0.920 0.000 0.771 313 R N -0.580 119.802 120.500 -0.198 0.000 2.299 313 R HA 0.043 4.384 4.340 0.000 0.000 0.197 313 R C 1.506 177.841 176.300 0.059 0.000 0.971 313 R CA 0.708 56.799 56.100 -0.015 0.000 1.030 313 R CB -0.099 30.104 30.300 -0.162 0.000 0.932 313 R HN 0.378 nan 8.270 nan 0.000 0.477 314 E N -0.213 119.994 120.200 0.011 0.000 2.372 314 E HA 0.054 4.404 4.350 0.000 0.000 0.201 314 E C 0.121 176.732 176.600 0.018 0.000 0.938 314 E CA -0.116 56.295 56.400 0.019 0.000 0.944 314 E CB 0.542 30.244 29.700 0.005 0.000 0.937 314 E HN -0.062 nan 8.360 nan 0.000 0.495 315 S N 1.523 117.226 115.700 0.004 0.000 2.546 315 S HA -0.034 4.436 4.470 0.000 0.000 0.290 315 S C -0.134 174.486 174.600 0.032 0.000 1.262 315 S CA -0.090 58.112 58.200 0.004 0.000 1.083 315 S CB 0.362 63.550 63.200 -0.020 0.000 0.859 315 S HN 0.005 nan 8.310 nan 0.000 0.495 316 Q N 6.226 126.066 119.800 0.067 0.000 2.431 316 Q HA 0.400 4.740 4.340 0.000 0.000 0.249 316 Q C -1.445 174.683 176.000 0.213 0.000 1.025 316 Q CA -2.137 53.740 55.803 0.123 0.000 0.835 316 Q CB 1.484 30.329 28.738 0.179 0.000 1.207 316 Q HN 0.443 nan 8.270 nan 0.000 0.490 317 P HA -0.078 nan 4.420 nan 0.000 0.223 317 P C -0.501 176.904 177.300 0.175 0.000 1.151 317 P CA 0.748 63.940 63.100 0.153 0.000 0.787 317 P CB 0.315 32.046 31.700 0.051 0.000 0.788 318 L N -4.801 116.443 121.223 0.034 0.000 3.079 318 L HA 0.414 4.754 4.340 0.000 0.000 0.278 318 L C -1.505 175.173 176.870 -0.320 0.000 1.026 318 L CA -1.474 53.186 54.840 -0.299 0.000 0.963 318 L CB -0.038 41.883 42.059 -0.230 0.000 1.526 318 L HN -0.343 nan 8.230 nan 0.000 0.397 319 L N 0.784 121.749 121.223 -0.430 0.000 2.272 319 L HA 0.893 5.233 4.340 0.000 0.000 0.289 319 L C 0.593 177.296 176.870 -0.279 0.000 1.032 319 L CA -0.035 54.669 54.840 -0.227 0.000 0.810 319 L CB 0.949 42.942 42.059 -0.110 0.000 1.205 319 L HN 1.021 nan 8.230 nan 0.000 0.422 320 G N 1.566 110.220 108.800 -0.242 0.000 3.251 320 G HA2 0.478 4.438 3.960 0.000 0.000 0.248 320 G HA3 0.478 4.438 3.960 0.000 0.000 0.248 320 G C -0.583 174.199 174.900 -0.197 0.000 1.320 320 G CA -0.425 44.435 45.100 -0.401 0.000 0.982 320 G HN 0.378 nan 8.290 nan 0.000 0.575 321 T N -0.002 114.472 114.554 -0.134 0.000 2.855 321 T HA 0.414 4.764 4.350 0.000 0.000 0.322 321 T C 0.428 175.134 174.700 0.010 0.000 1.088 321 T CA 0.645 62.811 62.100 0.110 0.000 1.104 321 T CB 0.958 69.916 68.868 0.148 0.000 0.996 321 T HN 1.300 nan 8.240 nan 0.000 0.549 322 V N -1.129 118.789 119.914 0.007 0.000 3.202 322 V HA 0.563 4.683 4.120 0.000 0.000 0.306 322 V C -0.895 175.158 176.094 -0.069 0.000 1.283 322 V CA -1.324 60.943 62.300 -0.055 0.000 1.065 322 V CB 1.923 33.696 31.823 -0.083 0.000 1.079 322 V HN 0.627 nan 8.190 nan 0.000 0.448 323 I N 3.476 123.999 120.570 -0.078 0.000 2.241 323 I HA 0.238 4.408 4.170 0.000 0.000 0.294 323 I C 1.042 177.109 176.117 -0.083 0.000 1.145 323 I CA 0.156 61.410 61.300 -0.077 0.000 1.261 323 I CB -0.158 37.801 38.000 -0.068 0.000 1.475 323 I HN 0.990 nan 8.210 nan 0.000 0.533 324 D N 3.838 124.179 120.400 -0.098 0.000 2.194 324 D HA -0.066 4.574 4.640 0.000 0.000 0.204 324 D C 1.437 177.689 176.300 -0.081 0.000 0.964 324 D CA 1.337 55.269 54.000 -0.113 0.000 0.846 324 D CB 0.364 41.064 40.800 -0.167 0.000 0.962 324 D HN 0.632 nan 8.370 nan 0.000 0.490 325 G N -0.467 108.293 108.800 -0.066 0.000 2.201 325 G HA2 -0.230 3.730 3.960 0.000 0.000 0.212 325 G HA3 -0.230 3.730 3.960 0.000 0.000 0.212 325 G C 0.935 175.812 174.900 -0.038 0.000 0.994 325 G CA 0.490 45.562 45.100 -0.047 0.000 0.644 325 G HN 0.229 nan 8.290 nan 0.000 0.508 326 M N -1.106 118.466 119.600 -0.047 0.000 3.127 326 M HA 0.466 4.946 4.480 0.000 0.000 0.228 326 M C 2.219 178.498 176.300 -0.035 0.000 1.558 326 M CA 0.957 56.239 55.300 -0.030 0.000 1.349 326 M CB -1.282 31.305 32.600 -0.021 0.000 1.098 326 M HN 0.215 nan 8.290 nan 0.000 0.582 327 L N 0.795 121.987 121.223 -0.053 0.000 2.044 327 L HA 0.135 4.476 4.340 0.000 0.000 0.205 327 L C 0.432 177.254 176.870 -0.079 0.000 1.075 327 L CA 1.521 56.325 54.840 -0.060 0.000 0.747 327 L CB 0.086 42.105 42.059 -0.066 0.000 0.903 327 L HN 0.146 nan 8.230 nan 0.000 0.435 328 L N 0.204 121.377 121.223 -0.084 0.000 2.342 328 L HA 0.218 4.558 4.340 0.000 0.000 0.276 328 L C 0.598 177.427 176.870 -0.068 0.000 0.997 328 L CA -0.362 54.425 54.840 -0.088 0.000 0.838 328 L CB 1.740 43.737 42.059 -0.104 0.000 1.224 328 L HN 0.142 nan 8.230 nan 0.000 0.416 329 L N 2.942 124.133 121.223 -0.054 0.000 2.291 329 L HA -0.032 4.308 4.340 0.000 0.000 0.214 329 L C 0.753 177.600 176.870 -0.039 0.000 1.120 329 L CA 1.167 55.983 54.840 -0.039 0.000 0.799 329 L CB -0.394 41.650 42.059 -0.025 0.000 0.925 329 L HN 0.649 nan 8.230 nan 0.000 0.446 330 K N -1.974 118.398 120.400 -0.048 0.000 2.672 330 K HA 0.255 4.575 4.320 0.000 0.000 0.295 330 K C -0.459 176.106 176.600 -0.057 0.000 1.042 330 K CA -0.723 55.537 56.287 -0.045 0.000 0.869 330 K CB 0.605 33.087 32.500 -0.030 0.000 1.541 330 K HN -0.154 nan 8.250 nan 0.000 0.396 331 T N -1.363 113.158 114.554 -0.055 0.000 2.946 331 T HA 0.067 4.417 4.350 0.000 0.000 0.312 331 T C -1.819 172.840 174.700 -0.068 0.000 1.066 331 T CA -0.567 61.493 62.100 -0.066 0.000 1.138 331 T CB 0.239 69.070 68.868 -0.062 0.000 1.014 331 T HN 0.352 nan 8.240 nan 0.000 0.544 332 P HA -0.105 nan 4.420 nan 0.000 0.216 332 P C 1.309 178.575 177.300 -0.057 0.000 1.150 332 P CA 1.098 64.145 63.100 -0.089 0.000 0.843 332 P CB 0.081 31.718 31.700 -0.105 0.000 0.787 333 E N 0.010 120.178 120.200 -0.053 0.000 2.023 333 E HA -0.203 4.147 4.350 0.000 0.000 0.196 333 E C 1.961 178.556 176.600 -0.007 0.000 1.003 333 E CA 1.401 57.783 56.400 -0.031 0.000 0.809 333 E CB -0.962 28.711 29.700 -0.044 0.000 0.755 333 E HN 0.402 nan 8.360 nan 0.000 0.449 334 E N 0.596 120.788 120.200 -0.014 0.000 2.033 334 E HA -0.205 4.145 4.350 0.000 0.000 0.199 334 E C 2.258 178.872 176.600 0.022 0.000 1.011 334 E CA 1.087 57.488 56.400 0.002 0.000 0.815 334 E CB -0.340 29.356 29.700 -0.008 0.000 0.755 334 E HN 0.152 nan 8.360 nan 0.000 0.451 335 L N 1.215 122.443 121.223 0.008 0.000 1.997 335 L HA -0.317 4.023 4.340 0.000 0.000 0.216 335 L C 2.924 179.859 176.870 0.108 0.000 1.074 335 L CA 2.030 56.886 54.840 0.027 0.000 0.763 335 L CB -0.834 41.195 42.059 -0.049 0.000 0.890 335 L HN 0.322 nan 8.230 nan 0.000 0.434 336 Q N -0.314 119.541 119.800 0.092 0.000 2.439 336 Q HA -0.154 4.186 4.340 0.000 0.000 0.211 336 Q C 2.032 178.146 176.000 0.189 0.000 0.978 336 Q CA 1.147 57.074 55.803 0.207 0.000 0.897 336 Q CB -0.296 28.527 28.738 0.142 0.000 0.956 336 Q HN 0.482 nan 8.270 nan 0.000 0.483 337 A N 1.737 124.627 122.820 0.116 0.000 1.851 337 A HA -0.166 4.154 4.320 0.000 0.000 0.216 337 A C 0.619 178.254 177.584 0.085 0.000 1.195 337 A CA 1.248 53.334 52.037 0.082 0.000 0.622 337 A CB -0.307 18.724 19.000 0.053 0.000 0.831 337 A HN 0.510 nan 8.150 nan 0.000 0.444 338 E N -0.025 120.235 120.200 0.100 0.000 2.129 338 E HA 0.408 4.758 4.350 0.000 0.000 0.283 338 E C 0.341 176.983 176.600 0.071 0.000 1.080 338 E CA -0.280 56.162 56.400 0.070 0.000 0.867 338 E CB 0.696 30.436 29.700 0.066 0.000 1.056 338 E HN 0.230 nan 8.360 nan 0.000 0.404 339 R N 1.577 122.038 120.500 -0.065 0.000 2.357 339 R HA -0.024 4.316 4.340 0.000 0.000 0.202 339 R C -0.325 175.688 176.300 -0.478 0.000 1.047 339 R CA 0.168 56.075 56.100 -0.321 0.000 1.034 339 R CB -0.631 29.515 30.300 -0.258 0.000 0.875 339 R HN 0.376 nan 8.270 nan 0.000 0.473 340 N N 1.397 119.988 118.700 -0.181 0.000 2.819 340 N HA 0.163 4.903 4.740 0.000 0.000 0.284 340 N C -0.956 174.570 175.510 0.027 0.000 1.196 340 N CA -0.021 52.963 53.050 -0.110 0.000 1.114 340 N CB -0.060 38.409 38.487 -0.030 0.000 1.437 340 N HN 0.133 nan 8.380 nan 0.000 0.518 341 F N -2.804 117.156 119.950 0.016 0.000 3.090 341 F HA 0.388 4.915 4.527 0.000 0.000 0.324 341 F C -0.651 175.198 175.800 0.081 0.000 1.189 341 F CA -1.470 56.551 58.000 0.034 0.000 0.907 341 F CB 0.989 40.015 39.000 0.044 0.000 1.445 341 F HN 0.031 nan 8.300 nan 0.000 0.500 342 H N 0.992 120.353 119.070 0.485 0.000 2.864 342 H HA 0.430 4.986 4.556 0.000 0.000 0.281 342 H C -0.651 174.889 175.328 0.353 0.000 1.093 342 H CA -0.060 56.125 56.048 0.228 0.000 1.453 342 H CB 0.708 30.498 29.762 0.046 0.000 1.462 342 H HN 0.775 nan 8.280 nan 0.000 0.480 343 T N 2.658 117.332 114.554 0.199 0.000 2.799 343 T HA 0.485 4.835 4.350 0.000 0.000 0.286 343 T C 0.128 174.841 174.700 0.022 0.000 0.973 343 T CA -0.738 61.424 62.100 0.103 0.000 1.035 343 T CB 1.195 69.961 68.868 -0.172 0.000 0.932 343 T HN 0.363 nan 8.240 nan 0.000 0.469 344 V N -0.622 119.390 119.914 0.164 0.000 3.181 344 V HA 0.783 4.903 4.120 0.000 0.000 0.308 344 V C -3.250 173.028 176.094 0.306 0.000 1.214 344 V CA -3.410 58.941 62.300 0.083 0.000 1.053 344 V CB 1.406 33.167 31.823 -0.103 0.000 1.069 344 V HN 0.583 nan 8.190 nan 0.000 0.441 345 P HA 0.176 nan 4.420 nan 0.000 0.263 345 P C -1.498 176.148 177.300 0.577 0.000 1.195 345 P CA 0.717 64.012 63.100 0.326 0.000 0.762 345 P CB -0.258 31.416 31.700 -0.044 0.000 0.799 346 Y N 3.975 124.527 120.300 0.420 0.000 2.346 346 Y HA 0.477 5.028 4.550 0.000 0.000 0.332 346 Y C -0.608 175.290 175.900 -0.004 0.000 0.985 346 Y CA -1.472 56.701 58.100 0.121 0.000 1.112 346 Y CB 1.361 39.547 38.460 -0.456 0.000 1.170 346 Y HN 0.208 nan 8.280 nan 0.000 0.447 347 M N 7.935 127.485 119.600 -0.083 0.000 2.129 347 M HA 0.516 4.996 4.480 0.000 0.000 0.348 347 M C -2.064 173.965 176.300 -0.451 0.000 1.116 347 M CA -0.627 54.384 55.300 -0.481 0.000 1.022 347 M CB 0.715 32.694 32.600 -1.036 0.000 1.599 347 M HN 0.428 nan 8.290 nan 0.000 0.449 348 V N 4.615 124.227 119.914 -0.505 0.000 2.495 348 V HA 0.909 5.029 4.120 0.000 0.000 0.298 348 V C 0.289 176.106 176.094 -0.461 0.000 1.031 348 V CA -0.561 61.427 62.300 -0.520 0.000 0.871 348 V CB 1.493 32.914 31.823 -0.670 0.000 0.988 348 V HN 1.007 nan 8.190 nan 0.000 0.432 349 G N 3.728 112.177 108.800 -0.585 0.000 2.695 349 G HA2 0.887 4.847 3.960 0.000 0.000 0.290 349 G HA3 0.887 4.847 3.960 0.000 0.000 0.290 349 G C -1.321 173.176 174.900 -0.672 0.000 1.410 349 G CA -0.617 43.756 45.100 -1.212 0.000 0.844 349 G HN 0.945 nan 8.290 nan 0.000 0.478 350 I N -2.718 117.560 120.570 -0.486 0.000 3.279 350 I HA 0.609 4.779 4.170 0.000 0.000 0.315 350 I C -1.131 175.073 176.117 0.144 0.000 1.187 350 I CA -1.404 59.853 61.300 -0.071 0.000 0.953 350 I CB 2.416 40.402 38.000 -0.024 0.000 1.279 350 I HN 0.429 nan 8.210 nan 0.000 0.465 351 N N 1.270 120.074 118.700 0.172 0.000 2.417 351 N HA 0.236 4.976 4.740 0.000 0.000 0.300 351 N C 0.056 175.683 175.510 0.195 0.000 1.102 351 N CA -0.802 52.412 53.050 0.273 0.000 0.886 351 N CB 2.153 40.802 38.487 0.271 0.000 1.203 351 N HN 0.536 nan 8.380 nan 0.000 0.496 352 K N 1.015 121.543 120.400 0.213 0.000 2.107 352 K HA -0.205 4.115 4.320 0.000 0.000 0.211 352 K C -0.004 176.679 176.600 0.139 0.000 1.049 352 K CA 1.914 58.294 56.287 0.156 0.000 0.927 352 K CB 0.106 32.685 32.500 0.133 0.000 0.714 352 K HN 0.576 nan 8.250 nan 0.000 0.452 353 Q N -0.176 119.712 119.800 0.147 0.000 3.122 353 Q HA 0.113 4.453 4.340 0.000 0.000 0.282 353 Q C -0.201 175.877 176.000 0.129 0.000 0.947 353 Q CA -0.371 55.516 55.803 0.140 0.000 0.812 353 Q CB 1.457 30.280 28.738 0.141 0.000 1.333 353 Q HN 0.101 nan 8.270 nan 0.000 0.430 354 E N 0.366 120.609 120.200 0.073 0.000 2.070 354 E HA -0.193 4.157 4.350 0.000 0.000 0.197 354 E C 0.576 177.190 176.600 0.023 0.000 1.004 354 E CA 1.408 57.778 56.400 -0.050 0.000 0.805 354 E CB 0.079 29.547 29.700 -0.387 0.000 0.744 354 E HN 0.468 nan 8.360 nan 0.000 0.451 355 F N 0.534 120.443 119.950 -0.068 0.000 2.713 355 F HA 0.229 4.756 4.527 0.000 0.000 0.294 355 F C 1.728 177.522 175.800 -0.010 0.000 1.152 355 F CA -0.135 57.821 58.000 -0.074 0.000 1.385 355 F CB 0.350 39.282 39.000 -0.113 0.000 0.981 355 F HN -0.042 nan 8.300 nan 0.000 0.514 356 G N -0.042 108.815 108.800 0.096 0.000 2.408 356 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 356 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 356 G C 0.981 175.986 174.900 0.174 0.000 1.150 356 G CA 1.224 46.409 45.100 0.141 0.000 0.776 356 G HN 0.611 nan 8.290 nan 0.000 0.542 357 W N -1.500 119.748 121.300 -0.087 0.000 5.121 357 W HA 0.277 4.937 4.660 0.000 0.000 0.165 357 W C 1.696 178.149 176.519 -0.110 0.000 3.238 357 W CA 0.168 57.467 57.345 -0.078 0.000 1.826 357 W CB -0.691 28.768 29.460 -0.002 0.000 1.395 357 W HN -0.005 nan 8.180 nan 0.000 0.911 358 L N 2.158 123.244 121.223 -0.228 0.000 2.040 358 L HA -0.285 4.055 4.340 0.000 0.000 0.228 358 L C 2.096 178.662 176.870 -0.508 0.000 1.092 358 L CA 3.018 57.577 54.840 -0.468 0.000 0.805 358 L CB -1.279 40.855 42.059 0.124 0.000 0.905 358 L HN 0.284 nan 8.230 nan 0.000 0.443 359 I N -1.142 119.183 120.570 -0.410 0.000 2.193 359 I HA -0.181 3.990 4.170 0.000 0.000 0.240 359 I C -0.353 175.428 176.117 -0.559 0.000 1.084 359 I CA 1.182 62.224 61.300 -0.430 0.000 1.365 359 I CB -1.621 36.121 38.000 -0.429 0.000 1.064 359 I HN 0.231 nan 8.210 nan 0.000 0.410 360 P HA -0.173 nan 4.420 nan 0.000 0.218 360 P C 1.000 178.120 177.300 -0.299 0.000 1.146 360 P CA 1.222 63.883 63.100 -0.732 0.000 0.813 360 P CB 0.002 31.199 31.700 -0.839 0.000 0.778 364 M N 0.489 120.078 119.600 -0.018 0.000 2.619 364 M HA 0.099 4.579 4.480 0.000 0.000 0.251 364 M C 0.190 176.561 176.300 0.118 0.000 1.106 364 M CA 0.567 55.925 55.300 0.096 0.000 1.086 364 M CB 0.119 32.856 32.600 0.228 0.000 1.465 364 M HN 0.299 nan 8.290 nan 0.000 0.506 365 S N 0.395 116.144 115.700 0.082 0.000 3.829 365 S HA -0.156 4.314 4.470 0.000 0.000 0.461 365 S C -0.764 173.905 174.600 0.116 0.000 0.849 365 S CA 0.087 58.329 58.200 0.069 0.000 1.323 365 S CB -1.753 61.462 63.200 0.025 0.000 0.872 365 S HN 0.396 nan 8.310 nan 0.000 0.613 366 Y N 2.391 122.692 120.300 0.003 0.000 2.335 366 Y HA 0.283 4.833 4.550 0.000 0.000 0.331 366 Y C -0.385 175.552 175.900 0.060 0.000 1.094 366 Y CA -1.551 56.587 58.100 0.063 0.000 1.253 366 Y CB 0.591 39.117 38.460 0.110 0.000 1.203 366 Y HN 0.203 nan 8.280 nan 0.000 0.508 367 P HA -0.194 nan 4.420 nan 0.000 0.223 367 P C 0.058 177.417 177.300 0.098 0.000 1.140 367 P CA 1.104 64.236 63.100 0.054 0.000 0.783 367 P CB 0.089 31.786 31.700 -0.006 0.000 0.759 368 L N 1.185 122.512 121.223 0.174 0.000 2.752 368 L HA 0.024 4.364 4.340 0.000 0.000 0.251 368 L C 1.545 178.490 176.870 0.125 0.000 1.436 368 L CA 0.146 55.080 54.840 0.157 0.000 1.181 368 L CB -1.180 41.016 42.059 0.228 0.000 1.414 368 L HN 0.054 nan 8.230 nan 0.000 0.448 369 S N -2.252 113.503 115.700 0.091 0.000 2.556 369 S HA 0.089 4.559 4.470 0.000 0.000 0.216 369 S C 1.226 175.866 174.600 0.066 0.000 0.970 369 S CA -0.412 57.836 58.200 0.080 0.000 0.912 369 S CB 0.271 63.509 63.200 0.064 0.000 0.790 369 S HN 0.484 nan 8.310 nan 0.000 0.504 370 E N 1.453 121.690 120.200 0.063 0.000 2.364 370 E HA 0.202 4.552 4.350 0.000 0.000 0.196 370 E C 1.384 178.019 176.600 0.058 0.000 0.990 370 E CA 0.628 57.058 56.400 0.051 0.000 0.886 370 E CB -0.366 29.357 29.700 0.039 0.000 0.866 370 E HN 0.655 nan 8.360 nan 0.000 0.493 371 G N 2.585 111.431 108.800 0.075 0.000 2.198 371 G HA2 -0.296 3.665 3.960 0.000 0.000 0.260 371 G HA3 -0.296 3.665 3.960 0.000 0.000 0.260 371 G C 0.048 174.993 174.900 0.074 0.000 1.025 371 G CA 1.010 46.160 45.100 0.083 0.000 0.769 371 G HN 0.385 nan 8.290 nan 0.000 0.507 372 Q N -2.425 117.414 119.800 0.064 0.000 2.594 372 Q HA 0.827 5.167 4.340 0.000 0.000 0.278 372 Q C -1.636 174.381 176.000 0.028 0.000 0.961 372 Q CA -1.302 54.532 55.803 0.051 0.000 0.844 372 Q CB 1.492 30.255 28.738 0.041 0.000 1.475 372 Q HN 0.580 nan 8.270 nan 0.000 0.389 373 L N 0.834 122.067 121.223 0.017 0.000 2.510 373 L HA 0.701 5.041 4.340 0.000 0.000 0.252 373 L C -2.011 174.853 176.870 -0.011 0.000 1.091 373 L CA -0.061 54.763 54.840 -0.027 0.000 0.888 373 L CB 2.453 44.453 42.059 -0.098 0.000 1.507 373 L HN 0.961 nan 8.230 nan 0.000 0.407 374 D N -0.261 120.122 120.400 -0.028 0.000 2.803 374 D HA 0.162 4.802 4.640 0.000 0.000 0.218 374 D C -0.188 176.110 176.300 -0.003 0.000 1.245 374 D CA -0.479 53.519 54.000 -0.003 0.000 0.821 374 D CB 1.325 42.127 40.800 0.002 0.000 1.626 374 D HN 0.398 nan 8.370 nan 0.000 0.487 375 Q N 1.379 121.192 119.800 0.021 0.000 2.167 375 Q HA -0.292 4.048 4.340 0.000 0.000 0.218 375 Q C 1.491 177.506 176.000 0.026 0.000 1.033 375 Q CA 2.251 58.075 55.803 0.034 0.000 0.918 375 Q CB -0.489 28.270 28.738 0.034 0.000 1.019 375 Q HN 0.630 nan 8.270 nan 0.000 0.417 376 K N -0.438 119.970 120.400 0.014 0.000 1.985 376 K HA -0.075 4.245 4.320 0.000 0.000 0.210 376 K C 2.373 178.977 176.600 0.007 0.000 1.047 376 K CA 1.674 57.968 56.287 0.013 0.000 0.932 376 K CB -0.401 32.104 32.500 0.008 0.000 0.716 376 K HN 0.152 nan 8.250 nan 0.000 0.439 377 T N 1.346 115.890 114.554 -0.016 0.000 2.665 377 T HA -0.216 4.134 4.350 0.000 0.000 0.268 377 T C 1.957 176.606 174.700 -0.086 0.000 1.035 377 T CA 1.513 63.588 62.100 -0.042 0.000 1.151 377 T CB -0.421 68.410 68.868 -0.062 0.000 0.862 377 T HN 0.386 nan 8.240 nan 0.000 0.438 378 A N 1.766 124.510 122.820 -0.127 0.000 1.842 378 A HA -0.170 4.150 4.320 0.000 0.000 0.217 378 A C 2.338 179.950 177.584 0.046 0.000 1.206 378 A CA 2.101 54.017 52.037 -0.202 0.000 0.630 378 A CB -0.965 17.998 19.000 -0.060 0.000 0.839 378 A HN 0.476 nan 8.150 nan 0.000 0.447 379 M N -0.504 119.160 119.600 0.107 0.000 2.255 379 M HA -0.193 4.287 4.480 0.000 0.000 0.259 379 M C 2.461 178.881 176.300 0.201 0.000 1.071 379 M CA 1.800 57.197 55.300 0.163 0.000 1.074 379 M CB -0.359 32.301 32.600 0.100 0.000 1.384 379 M HN 0.588 nan 8.290 nan 0.000 0.415 380 S N 0.453 116.242 115.700 0.149 0.000 2.357 380 S HA -0.022 4.448 4.470 0.000 0.000 0.221 380 S C 1.736 176.478 174.600 0.237 0.000 1.031 380 S CA 0.700 59.016 58.200 0.193 0.000 0.982 380 S CB -0.060 63.206 63.200 0.110 0.000 0.853 380 S HN 0.395 nan 8.310 nan 0.000 0.458 381 L N 0.893 122.218 121.223 0.169 0.000 1.970 381 L HA -0.113 4.227 4.340 0.000 0.000 0.212 381 L C 2.498 179.599 176.870 0.386 0.000 1.071 381 L CA 1.312 56.292 54.840 0.233 0.000 0.751 381 L CB -0.647 41.538 42.059 0.210 0.000 0.889 381 L HN 0.358 nan 8.230 nan 0.000 0.432 382 L N -0.346 121.186 121.223 0.514 0.000 2.103 382 L HA -0.320 4.020 4.340 0.000 0.000 0.215 382 L C 2.189 179.299 176.870 0.401 0.000 1.080 382 L CA 1.989 57.100 54.840 0.452 0.000 0.764 382 L CB -0.749 41.578 42.059 0.447 0.000 0.890 382 L HN 0.402 nan 8.230 nan 0.000 0.435 383 W N 0.505 121.918 121.300 0.188 0.000 2.380 383 W HA -0.239 4.421 4.660 0.000 0.000 0.317 383 W C 2.153 178.768 176.519 0.160 0.000 1.196 383 W CA 1.342 58.779 57.345 0.153 0.000 1.307 383 W CB -0.064 29.451 29.460 0.092 0.000 1.157 383 W HN 0.072 nan 8.180 nan 0.000 0.483 384 K N 0.431 120.808 120.400 -0.039 0.000 2.519 384 K HA -0.079 4.241 4.320 0.000 0.000 0.196 384 K C 1.486 178.029 176.600 -0.095 0.000 1.041 384 K CA 1.015 57.190 56.287 -0.185 0.000 0.954 384 K CB -0.141 32.320 32.500 -0.065 0.000 0.774 384 K HN -0.084 nan 8.250 nan 0.000 0.480 385 S N 0.207 115.924 115.700 0.028 0.000 2.582 385 S HA 0.029 4.499 4.470 0.000 0.000 0.234 385 S C 0.754 175.356 174.600 0.004 0.000 0.961 385 S CA -0.476 57.765 58.200 0.069 0.000 0.953 385 S CB -0.140 63.164 63.200 0.172 0.000 0.800 385 S HN 0.326 nan 8.310 nan 0.000 0.471 386 Y N 4.337 124.523 120.300 -0.191 0.000 2.114 386 Y HA -0.145 4.405 4.550 0.000 0.000 0.282 386 Y C -0.764 175.054 175.900 -0.137 0.000 1.165 386 Y CA 1.769 59.749 58.100 -0.200 0.000 1.148 386 Y CB -1.269 36.905 38.460 -0.477 0.000 0.972 386 Y HN 0.257 nan 8.280 nan 0.000 0.504 387 P HA -0.219 nan 4.420 nan 0.000 0.215 387 P C 1.772 178.908 177.300 -0.273 0.000 1.153 387 P CA 1.894 64.826 63.100 -0.279 0.000 0.853 387 P CB -0.139 31.500 31.700 -0.102 0.000 0.788 388 L N -0.554 120.556 121.223 -0.188 0.000 2.072 388 L HA -0.095 4.245 4.340 0.000 0.000 0.205 388 L C 2.671 179.380 176.870 -0.268 0.000 1.079 388 L CA 1.491 56.220 54.840 -0.185 0.000 0.752 388 L CB -0.577 41.423 42.059 -0.099 0.000 0.906 388 L HN -0.072 nan 8.230 nan 0.000 0.436 389 V N -6.938 112.819 119.914 -0.262 0.000 3.212 389 V HA 0.143 4.264 4.120 0.000 0.000 0.244 389 V C 1.122 177.091 176.094 -0.209 0.000 1.151 389 V CA -0.238 61.916 62.300 -0.244 0.000 1.119 389 V CB 0.132 31.837 31.823 -0.197 0.000 0.838 389 V HN 0.390 nan 8.190 nan 0.000 0.470 390 C N 1.241 120.334 119.300 -0.345 0.000 4.619 390 C HA -0.129 4.331 4.460 0.000 0.000 0.304 390 C C 0.356 175.456 174.990 0.184 0.000 1.281 390 C CA -0.047 58.686 59.018 -0.476 0.000 2.101 390 C CB -2.914 24.552 27.740 -0.456 0.000 1.221 390 C HN 0.659 nan 8.230 nan 0.000 0.760 391 I N 1.373 122.209 120.570 0.442 0.000 2.321 391 I HA 0.492 4.662 4.170 0.000 0.000 0.291 391 I C 0.986 177.488 176.117 0.642 0.000 0.998 391 I CA 0.061 61.705 61.300 0.574 0.000 1.227 391 I CB 1.191 39.458 38.000 0.444 0.000 1.368 391 I HN 0.506 nan 8.210 nan 0.000 0.466 392 A N 5.476 128.595 122.820 0.499 0.000 2.531 392 A HA 0.008 4.328 4.320 0.000 0.000 0.236 392 A C 1.378 179.079 177.584 0.195 0.000 1.062 392 A CA -0.137 52.107 52.037 0.346 0.000 0.760 392 A CB 0.282 19.410 19.000 0.214 0.000 0.995 392 A HN 0.807 nan 8.150 nan 0.000 0.501 393 K N 1.058 121.399 120.400 -0.099 0.000 2.286 393 K HA -0.190 4.130 4.320 0.000 0.000 0.203 393 K C 1.666 178.114 176.600 -0.253 0.000 1.045 393 K CA 2.387 58.349 56.287 -0.542 0.000 0.935 393 K CB -0.035 31.734 32.500 -1.219 0.000 0.737 393 K HN 0.855 nan 8.250 nan 0.000 0.460 394 E N 0.043 120.171 120.200 -0.120 0.000 2.112 394 E HA -0.139 4.211 4.350 0.000 0.000 0.190 394 E C 1.851 178.442 176.600 -0.015 0.000 0.979 394 E CA 0.941 57.300 56.400 -0.068 0.000 0.814 394 E CB -0.441 29.236 29.700 -0.039 0.000 0.762 394 E HN 0.335 nan 8.360 nan 0.000 0.460 395 L N 0.698 121.940 121.223 0.031 0.000 2.395 395 L HA -0.031 4.309 4.340 0.000 0.000 0.218 395 L C 2.522 179.434 176.870 0.070 0.000 1.130 395 L CA -0.035 54.832 54.840 0.044 0.000 0.826 395 L CB -0.345 41.750 42.059 0.059 0.000 0.941 395 L HN 0.055 nan 8.230 nan 0.000 0.451 396 I N 0.934 121.563 120.570 0.099 0.000 2.113 396 I HA -0.239 3.931 4.170 0.000 0.000 0.242 396 I C 0.082 176.266 176.117 0.112 0.000 1.057 396 I CA 2.231 63.617 61.300 0.144 0.000 1.314 396 I CB -2.310 35.773 38.000 0.139 0.000 1.022 396 I HN 0.181 nan 8.210 nan 0.000 0.408 397 P HA -0.185 nan 4.420 nan 0.000 0.215 397 P C 1.703 179.040 177.300 0.062 0.000 1.153 397 P CA 1.478 64.610 63.100 0.052 0.000 0.853 397 P CB -0.065 31.645 31.700 0.018 0.000 0.788 398 E N -0.793 119.439 120.200 0.054 0.000 2.204 398 E HA -0.147 4.203 4.350 0.000 0.000 0.194 398 E C 1.792 178.459 176.600 0.111 0.000 0.989 398 E CA 0.980 57.418 56.400 0.063 0.000 0.824 398 E CB -0.278 29.449 29.700 0.045 0.000 0.756 398 E HN 0.096 nan 8.360 nan 0.000 0.477 399 A N 0.024 122.910 122.820 0.109 0.000 1.878 399 A HA -0.059 4.261 4.320 0.000 0.000 0.213 399 A C 2.302 179.994 177.584 0.180 0.000 1.192 399 A CA 1.377 53.492 52.037 0.131 0.000 0.619 399 A CB -0.663 18.403 19.000 0.110 0.000 0.837 399 A HN 0.248 nan 8.150 nan 0.000 0.446 400 T N 0.120 114.785 114.554 0.184 0.000 2.778 400 T HA -0.175 4.175 4.350 0.000 0.000 0.269 400 T C 1.821 176.628 174.700 0.178 0.000 1.050 400 T CA 1.864 64.090 62.100 0.209 0.000 1.137 400 T CB -0.167 68.811 68.868 0.182 0.000 0.860 400 T HN 0.604 nan 8.240 nan 0.000 0.468 401 E N 1.597 121.868 120.200 0.118 0.000 2.021 401 E HA -0.050 4.300 4.350 0.000 0.000 0.189 401 E C 2.067 178.685 176.600 0.029 0.000 0.980 401 E CA 1.165 57.605 56.400 0.066 0.000 0.803 401 E CB -0.355 29.364 29.700 0.031 0.000 0.766 401 E HN 0.186 nan 8.360 nan 0.000 0.449 402 K N -0.940 119.435 120.400 -0.042 0.000 2.304 402 K HA -0.197 4.123 4.320 0.000 0.000 0.204 402 K C 1.374 177.875 176.600 -0.165 0.000 1.044 402 K CA 1.544 57.680 56.287 -0.253 0.000 0.932 402 K CB -0.425 31.623 32.500 -0.754 0.000 0.735 402 K HN 0.296 nan 8.250 nan 0.000 0.468 403 Y N -1.240 119.002 120.300 -0.097 0.000 2.506 403 Y HA 0.254 4.804 4.550 0.000 0.000 0.287 403 Y C 1.486 177.410 175.900 0.040 0.000 1.147 403 Y CA 0.455 58.554 58.100 -0.003 0.000 1.241 403 Y CB 0.386 38.907 38.460 0.102 0.000 1.279 403 Y HN -0.133 nan 8.280 nan 0.000 0.527 404 L N -1.004 120.355 121.223 0.226 0.000 2.567 404 L HA 0.204 4.544 4.340 0.000 0.000 0.225 404 L C 2.185 179.105 176.870 0.083 0.000 1.119 404 L CA 0.633 55.568 54.840 0.159 0.000 0.871 404 L CB -0.539 41.626 42.059 0.178 0.000 1.036 404 L HN 0.251 nan 8.230 nan 0.000 0.459 405 G N 0.487 109.317 108.800 0.049 0.000 2.498 405 G HA2 -0.069 3.891 3.960 0.000 0.000 0.219 405 G HA3 -0.069 3.891 3.960 0.000 0.000 0.219 405 G C 1.090 175.992 174.900 0.003 0.000 1.119 405 G CA 0.608 45.718 45.100 0.016 0.000 0.766 405 G HN 0.448 nan 8.290 nan 0.000 0.552 406 G N 0.360 109.161 108.800 0.001 0.000 2.803 406 G HA2 0.312 4.272 3.960 0.000 0.000 0.177 406 G HA3 0.312 4.272 3.960 0.000 0.000 0.177 406 G C 0.779 175.686 174.900 0.012 0.000 1.629 406 G CA 0.618 45.716 45.100 -0.004 0.000 1.077 406 G HN 0.700 nan 8.290 nan 0.000 0.556 407 T N -0.793 113.770 114.554 0.015 0.000 2.860 407 T HA -0.048 4.302 4.350 0.000 0.000 0.295 407 T C 0.406 175.122 174.700 0.027 0.000 1.041 407 T CA 0.936 63.048 62.100 0.020 0.000 1.132 407 T CB 0.447 69.330 68.868 0.026 0.000 1.072 407 T HN 0.428 nan 8.240 nan 0.000 0.504 408 D N -0.014 120.400 120.400 0.023 0.000 2.340 408 D HA -0.005 4.636 4.640 0.000 0.000 0.220 408 D C 0.385 176.701 176.300 0.028 0.000 1.039 408 D CA -0.016 53.999 54.000 0.024 0.000 0.866 408 D CB 0.014 40.825 40.800 0.018 0.000 0.913 408 D HN 0.682 nan 8.370 nan 0.000 0.523 409 D N 2.089 122.507 120.400 0.031 0.000 2.412 409 D HA -0.058 4.582 4.640 0.000 0.000 0.257 409 D C 1.670 177.996 176.300 0.043 0.000 1.217 409 D CA 0.223 54.243 54.000 0.034 0.000 0.897 409 D CB 1.205 42.025 40.800 0.035 0.000 1.132 409 D HN 0.053 nan 8.370 nan 0.000 0.493 410 T N 0.755 115.332 114.554 0.039 0.000 2.684 410 T HA -0.184 4.166 4.350 0.000 0.000 0.267 410 T C 2.021 176.755 174.700 0.057 0.000 1.036 410 T CA 1.347 63.473 62.100 0.043 0.000 1.148 410 T CB -0.556 68.331 68.868 0.033 0.000 0.863 410 T HN 0.227 nan 8.240 nan 0.000 0.436 411 V N 1.924 121.871 119.914 0.056 0.000 2.568 411 V HA -0.144 3.976 4.120 0.000 0.000 0.253 411 V C 2.715 178.860 176.094 0.084 0.000 1.072 411 V CA 1.857 64.198 62.300 0.068 0.000 1.084 411 V CB -0.723 31.134 31.823 0.057 0.000 0.676 411 V HN 0.572 nan 8.190 nan 0.000 0.469 412 K N -0.029 120.418 120.400 0.077 0.000 2.116 412 K HA -0.068 4.252 4.320 0.000 0.000 0.203 412 K C 2.234 178.906 176.600 0.119 0.000 1.052 412 K CA 0.840 57.180 56.287 0.088 0.000 0.952 412 K CB -0.152 32.388 32.500 0.067 0.000 0.729 412 K HN 0.395 nan 8.250 nan 0.000 0.446 413 K N 1.304 121.772 120.400 0.114 0.000 2.097 413 K HA -0.177 4.143 4.320 0.000 0.000 0.206 413 K C 2.170 178.896 176.600 0.209 0.000 1.049 413 K CA 1.247 57.622 56.287 0.146 0.000 0.933 413 K CB -0.010 32.550 32.500 0.101 0.000 0.717 413 K HN 0.071 nan 8.250 nan 0.000 0.442 414 K N 1.226 121.732 120.400 0.177 0.000 2.002 414 K HA -0.185 4.135 4.320 0.000 0.000 0.209 414 K C 1.431 178.210 176.600 0.298 0.000 1.048 414 K CA 1.931 58.360 56.287 0.236 0.000 0.930 414 K CB -0.016 32.585 32.500 0.168 0.000 0.714 414 K HN 0.037 nan 8.250 nan 0.000 0.438 415 D N 1.114 121.644 120.400 0.216 0.000 2.123 415 D HA -0.190 4.450 4.640 0.000 0.000 0.196 415 D C 2.079 178.516 176.300 0.230 0.000 0.992 415 D CA 1.098 55.219 54.000 0.201 0.000 0.833 415 D CB -0.168 40.720 40.800 0.147 0.000 0.954 415 D HN 0.282 nan 8.370 nan 0.000 0.455 416 L N -0.302 121.068 121.223 0.246 0.000 2.109 416 L HA -0.108 4.232 4.340 0.000 0.000 0.207 416 L C 2.361 179.444 176.870 0.356 0.000 1.086 416 L CA 0.425 55.440 54.840 0.293 0.000 0.760 416 L CB -0.305 41.913 42.059 0.265 0.000 0.910 416 L HN -0.056 nan 8.230 nan 0.000 0.437 417 F N 0.928 120.989 119.950 0.185 0.000 2.095 417 F HA -0.241 4.286 4.527 0.000 0.000 0.298 417 F C 2.169 178.039 175.800 0.116 0.000 1.104 417 F CA 1.598 59.686 58.000 0.146 0.000 1.232 417 F CB -0.256 38.834 39.000 0.149 0.000 0.987 417 F HN -0.120 nan 8.300 nan 0.000 0.475 418 L N -0.142 121.181 121.223 0.167 0.000 2.131 418 L HA -0.212 4.128 4.340 0.000 0.000 0.210 418 L C 2.098 178.993 176.870 0.041 0.000 1.092 418 L CA 1.365 56.265 54.840 0.100 0.000 0.759 418 L CB -0.916 41.305 42.059 0.270 0.000 0.903 418 L HN 0.147 nan 8.230 nan 0.000 0.435 419 D N 0.108 120.582 120.400 0.123 0.000 2.144 419 D HA -0.157 4.483 4.640 0.000 0.000 0.200 419 D C 2.232 178.574 176.300 0.070 0.000 0.978 419 D CA 0.710 54.812 54.000 0.170 0.000 0.833 419 D CB -0.069 40.906 40.800 0.292 0.000 0.961 419 D HN 0.135 nan 8.370 nan 0.000 0.470 420 L N 1.520 122.685 121.223 -0.097 0.000 2.021 420 L HA -0.196 4.144 4.340 0.000 0.000 0.215 420 L C 2.144 178.722 176.870 -0.486 0.000 1.074 420 L CA 1.561 56.073 54.840 -0.546 0.000 0.760 420 L CB -0.879 40.870 42.059 -0.518 0.000 0.889 420 L HN 0.015 nan 8.230 nan 0.000 0.433 421 I N -0.117 120.123 120.570 -0.549 0.000 2.193 421 I HA -0.210 3.960 4.170 0.000 0.000 0.240 421 I C 2.721 178.589 176.117 -0.415 0.000 1.084 421 I CA 1.036 61.935 61.300 -0.669 0.000 1.365 421 I CB -0.626 36.650 38.000 -1.208 0.000 1.064 421 I HN 0.265 nan 8.210 nan 0.000 0.410 422 A N 0.539 123.250 122.820 -0.181 0.000 2.032 422 A HA -0.258 4.062 4.320 0.000 0.000 0.221 422 A C 1.853 179.487 177.584 0.084 0.000 1.165 422 A CA 2.177 54.269 52.037 0.091 0.000 0.645 422 A CB -0.564 18.518 19.000 0.136 0.000 0.807 422 A HN 0.387 nan 8.150 nan 0.000 0.453 423 D N -0.706 119.664 120.400 -0.050 0.000 2.137 423 D HA -0.029 4.611 4.640 0.000 0.000 0.202 423 D C 2.074 178.204 176.300 -0.282 0.000 0.970 423 D CA 1.247 55.209 54.000 -0.063 0.000 0.837 423 D CB -0.290 40.557 40.800 0.078 0.000 0.981 423 D HN 0.231 nan 8.370 nan 0.000 0.475 424 V N 0.961 120.546 119.914 -0.548 0.000 2.427 424 V HA -0.165 3.955 4.120 0.000 0.000 0.248 424 V C 2.420 178.266 176.094 -0.414 0.000 1.051 424 V CA 1.186 63.096 62.300 -0.649 0.000 1.048 424 V CB -0.301 31.026 31.823 -0.827 0.000 0.666 424 V HN 0.201 nan 8.190 nan 0.000 0.456 425 M N -1.697 117.667 119.600 -0.393 0.000 2.236 425 M HA 0.052 4.532 4.480 0.000 0.000 0.266 425 M C 1.737 177.579 176.300 -0.763 0.000 1.070 425 M CA 1.984 56.923 55.300 -0.601 0.000 1.137 425 M CB -0.029 32.139 32.600 -0.720 0.000 1.378 425 M HN 0.402 nan 8.290 nan 0.000 0.426 426 F N -1.988 117.884 119.950 -0.129 0.000 2.570 426 F HA 0.352 4.879 4.527 0.000 0.000 0.290 426 F C 2.215 177.968 175.800 -0.079 0.000 0.910 426 F CA 0.062 58.016 58.000 -0.076 0.000 1.119 426 F CB -1.343 37.649 39.000 -0.013 0.000 0.922 426 F HN 0.029 nan 8.300 nan 0.000 0.703 427 G N 1.655 110.544 108.800 0.149 0.000 2.900 427 G HA2 -0.259 3.701 3.960 0.000 0.000 0.212 427 G HA3 -0.259 3.701 3.960 0.000 0.000 0.212 427 G C 1.703 176.613 174.900 0.017 0.000 1.359 427 G CA 2.300 47.440 45.100 0.066 0.000 0.800 427 G HN 0.131 nan 8.290 nan 0.000 0.680 428 V N 2.522 122.438 119.914 0.004 0.000 2.252 428 V HA -0.167 3.953 4.120 0.000 0.000 0.249 428 V C 0.531 176.617 176.094 -0.013 0.000 1.056 428 V CA 2.613 64.926 62.300 0.021 0.000 1.022 428 V CB -1.598 30.247 31.823 0.037 0.000 0.641 428 V HN 0.320 nan 8.190 nan 0.000 0.445 429 P HA -0.166 nan 4.420 nan 0.000 0.216 429 P C 2.041 179.298 177.300 -0.073 0.000 1.157 429 P CA 2.271 65.324 63.100 -0.078 0.000 0.880 429 P CB -0.160 31.457 31.700 -0.138 0.000 0.791 430 S N -0.902 114.756 115.700 -0.069 0.000 2.356 430 S HA -0.113 4.357 4.470 0.000 0.000 0.223 430 S C 2.010 176.513 174.600 -0.162 0.000 1.032 430 S CA 1.387 59.519 58.200 -0.113 0.000 1.005 430 S CB -1.281 61.861 63.200 -0.097 0.000 0.867 430 S HN -0.032 nan 8.310 nan 0.000 0.449 431 V N 2.158 122.001 119.914 -0.117 0.000 2.427 431 V HA -0.119 4.001 4.120 0.000 0.000 0.248 431 V C 2.073 178.129 176.094 -0.064 0.000 1.051 431 V CA 1.306 63.536 62.300 -0.117 0.000 1.048 431 V CB -0.691 31.117 31.823 -0.025 0.000 0.666 431 V HN 0.451 nan 8.190 nan 0.000 0.456 432 I N -0.238 120.320 120.570 -0.021 0.000 2.226 432 I HA -0.198 3.972 4.170 0.000 0.000 0.245 432 I C 2.397 178.517 176.117 0.005 0.000 1.100 432 I CA 1.257 62.566 61.300 0.016 0.000 1.374 432 I CB -0.394 37.619 38.000 0.022 0.000 1.057 432 I HN 0.168 nan 8.210 nan 0.000 0.413 433 V N 1.159 121.052 119.914 -0.035 0.000 2.407 433 V HA -0.288 3.832 4.120 0.000 0.000 0.248 433 V C 2.727 178.803 176.094 -0.030 0.000 1.055 433 V CA 1.946 64.236 62.300 -0.016 0.000 1.049 433 V CB -0.986 30.805 31.823 -0.054 0.000 0.662 433 V HN 0.485 nan 8.190 nan 0.000 0.455 434 A N 0.013 122.726 122.820 -0.178 0.000 1.877 434 A HA -0.225 4.095 4.320 0.000 0.000 0.216 434 A C 2.380 179.925 177.584 -0.066 0.000 1.186 434 A CA 1.881 53.737 52.037 -0.302 0.000 0.620 434 A CB -0.486 18.088 19.000 -0.711 0.000 0.822 434 A HN 0.498 nan 8.150 nan 0.000 0.443 435 R N -0.403 120.123 120.500 0.043 0.000 2.080 435 R HA -0.158 4.182 4.340 0.000 0.000 0.236 435 R C 2.074 178.472 176.300 0.164 0.000 1.137 435 R CA 1.842 58.070 56.100 0.213 0.000 0.943 435 R CB -0.522 29.895 30.300 0.196 0.000 0.846 435 R HN 0.617 nan 8.270 nan 0.000 0.431 436 N N -0.417 118.367 118.700 0.140 0.000 2.104 436 N HA -0.201 4.539 4.740 0.000 0.000 0.190 436 N C 1.668 177.290 175.510 0.186 0.000 1.024 436 N CA 1.420 54.559 53.050 0.148 0.000 0.853 436 N CB -0.255 38.325 38.487 0.155 0.000 1.008 436 N HN 0.289 nan 8.380 nan 0.000 0.424 437 H N 0.569 119.728 119.070 0.148 0.000 2.387 437 H HA 0.061 4.617 4.556 0.000 0.000 0.299 437 H C 2.179 177.583 175.328 0.128 0.000 1.090 437 H CA 1.418 57.584 56.048 0.196 0.000 1.332 437 H CB 0.130 30.039 29.762 0.246 0.000 1.386 437 H HN 0.079 nan 8.280 nan 0.000 0.516 438 R N 0.337 120.938 120.500 0.168 0.000 2.062 438 R HA -0.114 4.226 4.340 0.000 0.000 0.231 438 R C 0.992 177.312 176.300 0.034 0.000 1.136 438 R CA 1.872 58.042 56.100 0.117 0.000 0.948 438 R CB -0.129 30.308 30.300 0.228 0.000 0.845 438 R HN 0.376 nan 8.270 nan 0.000 0.430 439 D N 0.279 120.709 120.400 0.049 0.000 2.392 439 D HA -0.068 4.572 4.640 0.000 0.000 0.228 439 D C 1.197 177.476 176.300 -0.034 0.000 1.003 439 D CA 0.906 54.914 54.000 0.015 0.000 0.917 439 D CB 0.244 41.066 40.800 0.036 0.000 0.890 439 D HN 0.415 nan 8.370 nan 0.000 0.532 440 A N -0.163 122.608 122.820 -0.081 0.000 2.132 440 A HA 0.408 4.728 4.320 0.000 0.000 0.213 440 A C 1.828 179.301 177.584 -0.184 0.000 1.154 440 A CA 0.983 52.916 52.037 -0.174 0.000 0.753 440 A CB 0.146 18.973 19.000 -0.288 0.000 0.826 440 A HN 0.243 nan 8.150 nan 0.000 0.469 441 G N -2.355 106.362 108.800 -0.139 0.000 2.148 441 G HA2 0.212 4.172 3.960 0.000 0.000 0.203 441 G HA3 0.212 4.172 3.960 0.000 0.000 0.203 441 G C 0.192 175.025 174.900 -0.112 0.000 0.993 441 G CA 0.123 45.160 45.100 -0.106 0.000 0.661 441 G HN 1.506 nan 8.290 nan 0.000 0.518 442 A N 0.257 122.973 122.820 -0.173 0.000 2.324 442 A HA 0.859 5.179 4.320 0.000 0.000 0.330 442 A C -2.276 175.323 177.584 0.027 0.000 1.165 442 A CA -1.644 50.319 52.037 -0.124 0.000 0.813 442 A CB 1.063 19.863 19.000 -0.334 0.000 1.197 442 A HN 0.058 nan 8.150 nan 0.000 0.484 443 P HA 0.130 nan 4.420 nan 0.000 0.258 443 P C -0.469 176.955 177.300 0.207 0.000 1.172 443 P CA 0.968 64.144 63.100 0.127 0.000 0.762 443 P CB 0.423 32.247 31.700 0.206 0.000 0.764 444 T N 3.471 118.007 114.554 -0.031 0.000 2.916 444 T HA 0.542 4.892 4.350 0.000 0.000 0.298 444 T C -1.102 173.370 174.700 -0.380 0.000 1.031 444 T CA -0.289 61.815 62.100 0.006 0.000 0.993 444 T CB 0.800 69.753 68.868 0.141 0.000 1.045 444 T HN 0.092 nan 8.240 nan 0.000 0.454 445 Y N 1.312 121.568 120.300 -0.075 0.000 2.477 445 Y HA 0.676 5.226 4.550 0.000 0.000 0.347 445 Y C 0.023 175.896 175.900 -0.045 0.000 0.981 445 Y CA -1.087 56.943 58.100 -0.118 0.000 1.033 445 Y CB 1.979 40.057 38.460 -0.635 0.000 1.245 445 Y HN 0.350 nan 8.280 nan 0.000 0.455 446 M N 3.306 123.166 119.600 0.434 0.000 2.662 446 M HA 0.551 5.031 4.480 0.000 0.000 0.310 446 M C -1.533 175.135 176.300 0.612 0.000 1.204 446 M CA -1.044 54.418 55.300 0.270 0.000 0.891 446 M CB 3.084 35.696 32.600 0.021 0.000 1.732 446 M HN 0.800 nan 8.290 nan 0.000 0.467 447 Y N -1.226 119.272 120.300 0.331 0.000 2.581 447 Y HA 0.648 5.198 4.550 0.000 0.000 0.337 447 Y C -1.707 174.330 175.900 0.228 0.000 1.108 447 Y CA -0.943 57.304 58.100 0.244 0.000 1.033 447 Y CB 1.509 40.089 38.460 0.199 0.000 1.318 447 Y HN 0.704 nan 8.280 nan 0.000 0.459 448 E N 3.756 124.278 120.200 0.537 0.000 2.220 448 E HA 0.300 4.650 4.350 0.000 0.000 0.256 448 E C -2.151 174.750 176.600 0.503 0.000 0.881 448 E CA -0.851 55.805 56.400 0.426 0.000 0.766 448 E CB 1.138 31.017 29.700 0.298 0.000 1.187 448 E HN 0.645 nan 8.360 nan 0.000 0.419 449 F N 4.538 124.746 119.950 0.430 0.000 2.424 449 F HA 0.187 4.714 4.527 0.000 0.000 0.356 449 F C -0.244 175.688 175.800 0.221 0.000 1.110 449 F CA -0.033 58.137 58.000 0.284 0.000 1.161 449 F CB 0.694 39.868 39.000 0.290 0.000 1.115 449 F HN 0.385 nan 8.300 nan 0.000 0.507 450 Q N 7.042 126.716 119.800 -0.210 0.000 2.891 450 Q HA 0.330 4.670 4.340 0.000 0.000 0.242 450 Q C -1.912 173.970 176.000 -0.198 0.000 0.959 450 Q CA -0.797 54.947 55.803 -0.098 0.000 0.707 450 Q CB 1.613 30.353 28.738 0.003 0.000 1.283 450 Q HN 0.718 nan 8.270 nan 0.000 0.480 451 Y N 0.630 120.690 120.300 -0.400 0.000 2.592 451 Y HA 0.420 4.970 4.550 0.000 0.000 0.334 451 Y C -1.733 174.135 175.900 -0.053 0.000 1.136 451 Y CA -0.989 56.925 58.100 -0.311 0.000 1.042 451 Y CB 2.091 40.208 38.460 -0.573 0.000 1.325 451 Y HN 0.564 nan 8.280 nan 0.000 0.457 452 R N 6.669 126.819 120.500 -0.585 0.000 2.287 452 R HA 0.449 4.789 4.340 0.000 0.000 0.316 452 R C -2.743 173.306 176.300 -0.418 0.000 1.050 452 R CA -2.031 53.868 56.100 -0.334 0.000 0.983 452 R CB 0.709 30.819 30.300 -0.317 0.000 1.140 452 R HN 0.421 nan 8.270 nan 0.000 0.528 453 P HA -0.067 nan 4.420 nan 0.000 0.267 453 P C 0.162 177.226 177.300 -0.393 0.000 1.201 453 P CA 0.235 63.269 63.100 -0.111 0.000 0.775 453 P CB 1.132 32.802 31.700 -0.051 0.000 0.854 454 S N 0.606 115.929 115.700 -0.629 0.000 2.561 454 S HA -0.016 4.454 4.470 0.000 0.000 0.225 454 S C 1.169 175.355 174.600 -0.691 0.000 0.977 454 S CA 0.217 58.020 58.200 -0.661 0.000 0.926 454 S CB -1.046 61.723 63.200 -0.719 0.000 0.769 454 S HN 0.417 nan 8.310 nan 0.000 0.533 455 F N 1.999 121.690 119.950 -0.432 0.000 2.765 455 F HA 0.343 4.870 4.527 0.000 0.000 0.302 455 F C 1.426 176.978 175.800 -0.414 0.000 1.111 455 F CA -0.618 57.080 58.000 -0.503 0.000 1.359 455 F CB -0.239 38.219 39.000 -0.902 0.000 1.097 455 F HN 0.046 nan 8.300 nan 0.000 0.577 456 S N 0.100 115.660 115.700 -0.233 0.000 2.589 456 S HA -0.033 4.438 4.470 0.000 0.000 0.256 456 S C 0.582 175.133 174.600 -0.080 0.000 1.383 456 S CA -0.399 57.736 58.200 -0.110 0.000 0.983 456 S CB 0.590 63.692 63.200 -0.164 0.000 0.908 456 S HN 0.247 nan 8.310 nan 0.000 0.572 457 S N -0.202 115.437 115.700 -0.101 0.000 2.617 457 S HA 0.114 4.584 4.470 0.000 0.000 0.269 457 S C 0.791 175.259 174.600 -0.221 0.000 1.292 457 S CA -0.756 57.383 58.200 -0.102 0.000 1.010 457 S CB 0.279 63.456 63.200 -0.039 0.000 0.944 457 S HN 0.606 nan 8.310 nan 0.000 0.536 458 D N 3.050 123.369 120.400 -0.134 0.000 2.097 458 D HA -0.126 4.514 4.640 0.000 0.000 0.195 458 D C 1.826 178.003 176.300 -0.204 0.000 0.989 458 D CA 1.488 55.403 54.000 -0.142 0.000 0.827 458 D CB -0.250 40.506 40.800 -0.072 0.000 0.966 458 D HN 0.613 nan 8.370 nan 0.000 0.456 459 M N 0.436 119.937 119.600 -0.166 0.000 2.521 459 M HA -0.133 4.347 4.480 0.000 0.000 0.260 459 M C 1.074 177.067 176.300 -0.513 0.000 1.068 459 M CA 0.796 56.010 55.300 -0.143 0.000 1.060 459 M CB -0.211 32.470 32.600 0.135 0.000 1.398 459 M HN -0.172 nan 8.290 nan 0.000 0.473 460 K N 2.891 122.733 120.400 -0.931 0.000 2.312 460 K HA 0.177 4.497 4.320 0.000 0.000 0.287 460 K C -2.267 173.965 176.600 -0.614 0.000 1.062 460 K CA -1.738 53.740 56.287 -1.349 0.000 0.934 460 K CB 0.715 32.470 32.500 -1.241 0.000 1.027 460 K HN -0.093 nan 8.250 nan 0.000 0.478 461 P HA -0.018 nan 4.420 nan 0.000 0.268 461 P C -0.494 176.698 177.300 -0.179 0.000 1.204 461 P CA 0.088 63.062 63.100 -0.209 0.000 0.768 461 P CB 0.746 32.389 31.700 -0.095 0.000 0.842 462 K N 1.530 121.843 120.400 -0.146 0.000 2.519 462 K HA -0.054 4.266 4.320 0.000 0.000 0.196 462 K C 1.459 177.999 176.600 -0.100 0.000 1.041 462 K CA 1.177 57.384 56.287 -0.134 0.000 0.954 462 K CB -0.464 31.964 32.500 -0.120 0.000 0.774 462 K HN 0.524 nan 8.250 nan 0.000 0.480 463 T N 0.993 115.505 114.554 -0.070 0.000 2.770 463 T HA -0.039 4.311 4.350 0.000 0.000 0.263 463 T C 1.051 175.736 174.700 -0.024 0.000 1.039 463 T CA 0.389 62.468 62.100 -0.036 0.000 1.142 463 T CB -0.066 68.799 68.868 -0.005 0.000 0.868 463 T HN -0.088 nan 8.240 nan 0.000 0.435 464 V N 2.895 122.799 119.914 -0.017 0.000 2.599 464 V HA 0.173 4.293 4.120 0.000 0.000 0.300 464 V C 0.002 176.096 176.094 -0.001 0.000 1.034 464 V CA 0.379 62.691 62.300 0.021 0.000 1.115 464 V CB -0.427 31.429 31.823 0.055 0.000 0.934 464 V HN 0.352 nan 8.190 nan 0.000 0.485 465 I N 3.100 123.689 120.570 0.031 0.000 2.569 465 I HA 0.630 4.800 4.170 0.000 0.000 0.290 465 I C 0.719 176.894 176.117 0.096 0.000 1.088 465 I CA -0.518 60.793 61.300 0.017 0.000 1.047 465 I CB 1.920 39.901 38.000 -0.030 0.000 1.237 465 I HN 0.803 nan 8.210 nan 0.000 0.421 466 G N 3.399 112.296 108.800 0.162 0.000 2.256 466 G HA2 -0.227 3.733 3.960 0.000 0.000 0.272 466 G HA3 -0.227 3.733 3.960 0.000 0.000 0.272 466 G C -0.233 174.820 174.900 0.254 0.000 1.076 466 G CA 0.064 45.332 45.100 0.280 0.000 0.882 466 G HN 0.744 nan 8.290 nan 0.000 0.497 467 D N -0.789 119.757 120.400 0.245 0.000 2.372 467 D HA 0.326 4.966 4.640 0.000 0.000 0.243 467 D C 1.000 177.454 176.300 0.256 0.000 1.297 467 D CA -0.318 53.831 54.000 0.249 0.000 0.958 467 D CB 0.304 41.287 40.800 0.305 0.000 1.114 467 D HN 0.367 nan 8.370 nan 0.000 0.496 468 H N -0.771 118.365 119.070 0.111 0.000 3.034 468 H HA 0.307 4.864 4.556 0.000 0.000 0.324 468 H C 1.260 176.667 175.328 0.131 0.000 1.015 468 H CA 1.459 57.539 56.048 0.054 0.000 1.429 468 H CB 0.155 29.928 29.762 0.018 0.000 1.429 468 H HN 0.568 nan 8.280 nan 0.000 0.585 469 G N 4.409 113.041 108.800 -0.280 0.000 2.155 469 G HA2 -0.331 3.629 3.960 0.000 0.000 0.257 469 G HA3 -0.331 3.629 3.960 0.000 0.000 0.257 469 G C 1.061 175.765 174.900 -0.328 0.000 0.983 469 G CA 0.629 45.455 45.100 -0.457 0.000 0.676 469 G HN 0.683 nan 8.290 nan 0.000 0.528 470 D N 0.515 120.917 120.400 0.003 0.000 2.224 470 D HA -0.015 4.625 4.640 0.000 0.000 0.205 470 D C 2.421 178.755 176.300 0.057 0.000 0.965 470 D CA 1.179 55.324 54.000 0.242 0.000 0.852 470 D CB 0.004 41.065 40.800 0.434 0.000 0.947 470 D HN 0.704 nan 8.370 nan 0.000 0.494 471 E N 0.992 120.910 120.200 -0.471 0.000 2.347 471 E HA -0.115 4.235 4.350 0.000 0.000 0.196 471 E C 2.157 178.418 176.600 -0.565 0.000 1.008 471 E CA 0.175 55.871 56.400 -1.173 0.000 0.852 471 E CB -0.614 28.390 29.700 -1.160 0.000 0.783 471 E HN 0.319 nan 8.360 nan 0.000 0.505 472 L N -0.085 120.887 121.223 -0.419 0.000 2.043 472 L HA -0.180 4.160 4.340 0.000 0.000 0.212 472 L C 2.589 179.264 176.870 -0.325 0.000 1.075 472 L CA 1.748 56.343 54.840 -0.408 0.000 0.752 472 L CB -0.683 40.960 42.059 -0.693 0.000 0.891 472 L HN 0.035 nan 8.230 nan 0.000 0.432 473 F N -0.430 119.452 119.950 -0.114 0.000 2.161 473 F HA -0.220 4.308 4.527 0.000 0.000 0.300 473 F C 2.671 178.466 175.800 -0.009 0.000 1.089 473 F CA 1.370 59.355 58.000 -0.024 0.000 1.282 473 F CB -0.542 38.562 39.000 0.174 0.000 1.010 473 F HN 0.004 nan 8.300 nan 0.000 0.485 474 S N -0.225 115.532 115.700 0.096 0.000 2.362 474 S HA -0.093 4.377 4.470 0.000 0.000 0.221 474 S C 2.262 176.747 174.600 -0.192 0.000 1.032 474 S CA 0.919 59.111 58.200 -0.014 0.000 0.973 474 S CB -0.497 62.677 63.200 -0.043 0.000 0.849 474 S HN 0.115 nan 8.310 nan 0.000 0.465 475 V N 0.728 120.422 119.914 -0.366 0.000 2.392 475 V HA -0.123 3.997 4.120 0.000 0.000 0.249 475 V C 1.340 177.146 176.094 -0.479 0.000 1.059 475 V CA 1.611 63.577 62.300 -0.557 0.000 1.051 475 V CB -0.634 30.850 31.823 -0.566 0.000 0.658 475 V HN 0.448 nan 8.190 nan 0.000 0.455 476 F N 0.171 119.947 119.950 -0.289 0.000 2.639 476 F HA 0.469 4.996 4.527 0.000 0.000 0.300 476 F C 1.658 177.358 175.800 -0.167 0.000 1.109 476 F CA 0.403 58.254 58.000 -0.248 0.000 1.335 476 F CB -0.083 38.735 39.000 -0.302 0.000 1.014 476 F HN 0.225 nan 8.300 nan 0.000 0.537 477 G N 0.702 109.504 108.800 0.002 0.000 2.283 477 G HA2 -0.343 3.617 3.960 0.000 0.000 0.280 477 G HA3 -0.343 3.617 3.960 0.000 0.000 0.280 477 G C 1.411 176.435 174.900 0.207 0.000 1.029 477 G CA 0.388 45.584 45.100 0.160 0.000 0.840 477 G HN 0.588 nan 8.290 nan 0.000 0.505 478 A N 0.236 123.101 122.820 0.074 0.000 1.958 478 A HA -0.008 4.312 4.320 0.000 0.000 0.221 478 A C 0.660 178.153 177.584 -0.152 0.000 1.178 478 A CA 2.360 54.325 52.037 -0.120 0.000 0.642 478 A CB -0.934 17.918 19.000 -0.247 0.000 0.816 478 A HN 0.491 nan 8.150 nan 0.000 0.453 479 P HA -0.107 nan 4.420 nan 0.000 0.221 479 P C 0.586 177.680 177.300 -0.343 0.000 1.145 479 P CA 0.922 63.962 63.100 -0.101 0.000 0.795 479 P CB -0.137 31.379 31.700 -0.308 0.000 0.775 480 F N -2.473 117.487 119.950 0.018 0.000 2.776 480 F HA 0.181 4.708 4.527 0.000 0.000 0.300 480 F C 1.727 177.546 175.800 0.032 0.000 1.116 480 F CA 0.548 58.572 58.000 0.040 0.000 1.375 480 F CB -0.384 38.623 39.000 0.012 0.000 1.109 480 F HN -0.168 nan 8.300 nan 0.000 0.585 481 L N -1.896 119.394 121.223 0.111 0.000 2.730 481 L HA 0.212 4.552 4.340 0.000 0.000 0.236 481 L C 1.200 178.072 176.870 0.002 0.000 1.061 481 L CA 0.115 54.989 54.840 0.056 0.000 0.898 481 L CB 0.033 42.103 42.059 0.018 0.000 1.270 481 L HN -0.216 nan 8.230 nan 0.000 0.500 482 K N 0.683 121.050 120.400 -0.055 0.000 2.627 482 K HA 0.354 4.674 4.320 0.000 0.000 0.269 482 K C -0.466 176.173 176.600 0.065 0.000 1.029 482 K CA -0.397 55.861 56.287 -0.048 0.000 1.026 482 K CB 0.771 33.114 32.500 -0.263 0.000 1.350 482 K HN -0.183 nan 8.250 nan 0.000 0.506 483 E N -1.787 118.494 120.200 0.136 0.000 2.317 483 E HA 0.378 4.728 4.350 0.000 0.000 0.270 483 E C -0.504 176.174 176.600 0.130 0.000 0.885 483 E CA 0.032 56.498 56.400 0.110 0.000 0.760 483 E CB 1.728 31.466 29.700 0.064 0.000 1.227 483 E HN 0.627 nan 8.360 nan 0.000 0.434 484 G N 1.707 110.536 108.800 0.049 0.000 2.132 484 G HA2 -0.178 3.782 3.960 0.000 0.000 0.234 484 G HA3 -0.178 3.782 3.960 0.000 0.000 0.234 484 G C 0.147 174.996 174.900 -0.086 0.000 0.989 484 G CA -0.044 45.045 45.100 -0.019 0.000 0.676 484 G HN 0.793 nan 8.290 nan 0.000 0.522 485 A N 0.789 123.580 122.820 -0.048 0.000 2.451 485 A HA 0.690 5.010 4.320 0.000 0.000 0.266 485 A C 1.155 178.676 177.584 -0.105 0.000 1.119 485 A CA 0.895 52.864 52.037 -0.114 0.000 0.786 485 A CB 0.165 19.143 19.000 -0.036 0.000 1.061 485 A HN 2.017 nan 8.150 nan 0.000 0.503 486 S N 1.701 117.332 115.700 -0.115 0.000 2.580 486 S HA 0.060 4.530 4.470 0.000 0.000 0.266 486 S C 0.867 175.431 174.600 -0.061 0.000 1.354 486 S CA 0.503 58.658 58.200 -0.075 0.000 1.008 486 S CB 0.618 63.780 63.200 -0.062 0.000 0.898 486 S HN 0.761 nan 8.310 nan 0.000 0.555 487 E N 0.251 120.426 120.200 -0.042 0.000 2.338 487 E HA -0.116 4.235 4.350 0.000 0.000 0.197 487 E C 1.780 178.362 176.600 -0.030 0.000 1.007 487 E CA 1.354 57.734 56.400 -0.033 0.000 0.849 487 E CB -0.222 29.467 29.700 -0.018 0.000 0.774 487 E HN 0.807 nan 8.360 nan 0.000 0.506 488 E N 0.071 120.256 120.200 -0.025 0.000 2.072 488 E HA -0.194 4.156 4.350 0.000 0.000 0.190 488 E C 1.785 178.358 176.600 -0.045 0.000 0.982 488 E CA 0.928 57.318 56.400 -0.018 0.000 0.803 488 E CB 0.018 29.729 29.700 0.017 0.000 0.755 488 E HN 0.370 nan 8.360 nan 0.000 0.453 489 E N 0.240 120.419 120.200 -0.035 0.000 2.072 489 E HA -0.130 4.220 4.350 0.000 0.000 0.190 489 E C 2.180 178.727 176.600 -0.087 0.000 0.982 489 E CA 0.697 57.059 56.400 -0.063 0.000 0.803 489 E CB 0.004 29.694 29.700 -0.018 0.000 0.755 489 E HN 0.279 nan 8.360 nan 0.000 0.453 490 I N 0.576 121.081 120.570 -0.108 0.000 2.264 490 I HA -0.297 3.873 4.170 0.000 0.000 0.248 490 I C 2.580 178.691 176.117 -0.010 0.000 1.111 490 I CA 1.135 62.330 61.300 -0.174 0.000 1.382 490 I CB -0.215 37.676 38.000 -0.183 0.000 1.060 490 I HN 0.035 nan 8.210 nan 0.000 0.418 491 R N 0.053 120.548 120.500 -0.008 0.000 2.073 491 R HA -0.104 4.236 4.340 0.000 0.000 0.229 491 R C 2.303 178.594 176.300 -0.015 0.000 1.120 491 R CA 0.955 57.065 56.100 0.017 0.000 0.967 491 R CB -0.434 29.862 30.300 -0.007 0.000 0.862 491 R HN 0.193 nan 8.270 nan 0.000 0.436 492 L N 0.731 121.903 121.223 -0.084 0.000 2.013 492 L HA -0.224 4.116 4.340 0.000 0.000 0.212 492 L C 2.286 179.125 176.870 -0.052 0.000 1.073 492 L CA 1.997 56.759 54.840 -0.130 0.000 0.753 492 L CB -0.808 41.055 42.059 -0.328 0.000 0.890 492 L HN 0.059 nan 8.230 nan 0.000 0.432 493 S N -1.107 114.594 115.700 0.001 0.000 2.368 493 S HA -0.215 4.255 4.470 0.000 0.000 0.224 493 S C 2.093 176.737 174.600 0.074 0.000 1.029 493 S CA 1.421 59.656 58.200 0.059 0.000 0.988 493 S CB -0.232 63.077 63.200 0.181 0.000 0.838 493 S HN 0.532 nan 8.310 nan 0.000 0.462 494 K N 0.350 120.846 120.400 0.159 0.000 2.063 494 K HA -0.146 4.175 4.320 0.000 0.000 0.208 494 K C 2.309 178.907 176.600 -0.003 0.000 1.048 494 K CA 1.836 58.194 56.287 0.119 0.000 0.928 494 K CB -0.293 32.318 32.500 0.185 0.000 0.713 494 K HN 0.478 nan 8.250 nan 0.000 0.442 495 M N 0.636 120.208 119.600 -0.046 0.000 2.077 495 M HA -0.173 4.307 4.480 0.000 0.000 0.261 495 M C 2.051 178.281 176.300 -0.117 0.000 1.070 495 M CA 1.510 56.716 55.300 -0.157 0.000 1.125 495 M CB -0.010 32.501 32.600 -0.148 0.000 1.339 495 M HN -0.054 nan 8.290 nan 0.000 0.409 496 V N 1.297 121.186 119.914 -0.043 0.000 2.282 496 V HA -0.355 3.766 4.120 0.000 0.000 0.249 496 V C 2.417 178.463 176.094 -0.080 0.000 1.057 496 V CA 2.294 64.551 62.300 -0.071 0.000 1.032 496 V CB -0.667 30.944 31.823 -0.354 0.000 0.645 496 V HN 0.583 nan 8.190 nan 0.000 0.447 497 M N -1.306 118.215 119.600 -0.132 0.000 2.132 497 M HA -0.144 4.336 4.480 0.000 0.000 0.263 497 M C 2.339 178.675 176.300 0.060 0.000 1.065 497 M CA 1.583 56.829 55.300 -0.090 0.000 1.122 497 M CB -0.558 31.951 32.600 -0.150 0.000 1.365 497 M HN 0.157 nan 8.290 nan 0.000 0.411 498 K N 0.575 120.995 120.400 0.033 0.000 2.009 498 K HA -0.112 4.208 4.320 0.000 0.000 0.210 498 K C 1.871 178.590 176.600 0.197 0.000 1.049 498 K CA 1.739 58.053 56.287 0.046 0.000 0.929 498 K CB -0.693 31.762 32.500 -0.075 0.000 0.714 498 K HN 0.330 nan 8.250 nan 0.000 0.440 499 F N -0.171 119.912 119.950 0.222 0.000 2.027 499 F HA -0.316 4.211 4.527 0.000 0.000 0.297 499 F C 2.649 178.670 175.800 0.368 0.000 1.129 499 F CA 0.967 59.173 58.000 0.342 0.000 1.195 499 F CB -0.365 38.968 39.000 0.553 0.000 0.960 499 F HN 0.274 nan 8.300 nan 0.000 0.485 500 W N 0.140 121.567 121.300 0.212 0.000 2.317 500 W HA -0.311 4.350 4.660 0.000 0.000 0.318 500 W C 2.639 179.175 176.519 0.028 0.000 1.227 500 W CA 0.932 58.304 57.345 0.046 0.000 1.269 500 W CB -0.697 28.719 29.460 -0.074 0.000 1.155 500 W HN 0.069 nan 8.180 nan 0.000 0.484 501 A N 0.589 123.559 122.820 0.250 0.000 1.908 501 A HA -0.244 4.076 4.320 0.000 0.000 0.218 501 A C 1.732 179.378 177.584 0.103 0.000 1.181 501 A CA 1.944 54.048 52.037 0.111 0.000 0.627 501 A CB -1.094 17.950 19.000 0.073 0.000 0.818 501 A HN 0.282 nan 8.150 nan 0.000 0.445 502 N N -0.964 117.826 118.700 0.149 0.000 2.104 502 N HA -0.155 4.585 4.740 0.000 0.000 0.190 502 N C 1.446 176.993 175.510 0.061 0.000 1.024 502 N CA 1.510 54.626 53.050 0.109 0.000 0.853 502 N CB -0.625 37.959 38.487 0.161 0.000 1.008 502 N HN 0.509 nan 8.380 nan 0.000 0.424 503 F N 1.915 121.812 119.950 -0.088 0.000 2.046 503 F HA -0.157 4.370 4.527 0.000 0.000 0.297 503 F C 2.284 178.009 175.800 -0.124 0.000 1.123 503 F CA 1.556 59.438 58.000 -0.196 0.000 1.199 503 F CB -0.728 38.073 39.000 -0.332 0.000 0.972 503 F HN 0.053 nan 8.300 nan 0.000 0.474 504 A N 0.126 122.932 122.820 -0.023 0.000 2.032 504 A HA -0.239 4.081 4.320 0.000 0.000 0.221 504 A C 2.338 179.857 177.584 -0.109 0.000 1.165 504 A CA 2.014 54.002 52.037 -0.082 0.000 0.645 504 A CB -0.690 18.286 19.000 -0.039 0.000 0.807 504 A HN 0.517 nan 8.150 nan 0.000 0.453 505 R N -1.151 119.297 120.500 -0.088 0.000 2.057 505 R HA 0.042 4.382 4.340 0.000 0.000 0.224 505 R C 0.706 176.938 176.300 -0.114 0.000 1.136 505 R CA 1.273 57.330 56.100 -0.072 0.000 0.968 505 R CB -0.072 30.213 30.300 -0.026 0.000 0.863 505 R HN 0.536 nan 8.270 nan 0.000 0.433 506 N N -0.988 117.621 118.700 -0.151 0.000 2.159 506 N HA 0.081 4.821 4.740 0.000 0.000 0.217 506 N C 0.250 175.608 175.510 -0.253 0.000 1.223 506 N CA 0.698 53.655 53.050 -0.154 0.000 0.896 506 N CB 1.907 40.348 38.487 -0.077 0.000 1.064 506 N HN 0.306 nan 8.380 nan 0.000 0.518 507 G N 2.090 110.572 108.800 -0.529 0.000 2.246 507 G HA2 -0.268 3.693 3.960 0.000 0.000 0.273 507 G HA3 -0.268 3.693 3.960 0.000 0.000 0.273 507 G C -0.265 174.405 174.900 -0.384 0.000 1.055 507 G CA 0.233 44.854 45.100 -0.798 0.000 0.851 507 G HN 0.464 nan 8.290 nan 0.000 0.500 508 N N -0.722 117.809 118.700 -0.281 0.000 2.839 508 N HA 0.232 4.972 4.740 0.000 0.000 0.258 508 N C -1.285 174.121 175.510 -0.173 0.000 1.150 508 N CA -0.773 52.138 53.050 -0.232 0.000 0.957 508 N CB 1.655 40.107 38.487 -0.058 0.000 1.560 508 N HN -0.049 nan 8.380 nan 0.000 0.588 509 P HA -0.155 nan 4.420 nan 0.000 0.216 509 P C 0.065 177.506 177.300 0.235 0.000 1.150 509 P CA 0.874 63.896 63.100 -0.129 0.000 0.843 509 P CB 0.228 31.501 31.700 -0.712 0.000 0.787 510 N N 0.747 119.529 118.700 0.137 0.000 2.265 510 N HA 0.181 4.921 4.740 0.000 0.000 0.231 510 N C 1.006 176.667 175.510 0.251 0.000 1.266 510 N CA 1.563 54.799 53.050 0.311 0.000 0.862 510 N CB 0.067 38.707 38.487 0.255 0.000 1.100 510 N HN 0.242 nan 8.380 nan 0.000 0.439 511 G N -0.599 108.350 108.800 0.248 0.000 2.356 511 G HA2 0.224 4.184 3.960 0.000 0.000 0.294 511 G HA3 0.224 4.184 3.960 0.000 0.000 0.294 511 G C -1.464 173.514 174.900 0.130 0.000 1.423 511 G CA -0.756 44.436 45.100 0.153 0.000 0.806 511 G HN 0.609 nan 8.290 nan 0.000 0.527 512 E N -0.847 119.403 120.200 0.084 0.000 2.366 512 E HA 0.494 4.844 4.350 0.000 0.000 0.266 512 E C 1.027 177.650 176.600 0.039 0.000 1.051 512 E CA 0.141 56.581 56.400 0.066 0.000 0.884 512 E CB 1.246 30.975 29.700 0.048 0.000 1.006 512 E HN 2.186 nan 8.360 nan 0.000 0.417 513 G N 2.110 110.930 108.800 0.033 0.000 2.176 513 G HA2 -0.240 3.720 3.960 0.000 0.000 0.253 513 G HA3 -0.240 3.720 3.960 0.000 0.000 0.253 513 G C -0.127 174.756 174.900 -0.028 0.000 0.979 513 G CA 0.290 45.392 45.100 0.004 0.000 0.641 513 G HN 0.416 nan 8.290 nan 0.000 0.530 514 L N 0.086 121.306 121.223 -0.005 0.000 2.370 514 L HA 0.576 4.916 4.340 0.000 0.000 0.266 514 L C -1.912 175.045 176.870 0.146 0.000 1.002 514 L CA -2.459 52.341 54.840 -0.066 0.000 0.818 514 L CB 1.876 43.764 42.059 -0.286 0.000 1.325 514 L HN -0.138 nan 8.230 nan 0.000 0.418 515 P HA -0.012 nan 4.420 nan 0.000 0.272 515 P C -1.115 176.460 177.300 0.458 0.000 1.243 515 P CA -0.114 63.168 63.100 0.303 0.000 0.803 515 P CB 0.269 32.140 31.700 0.285 0.000 0.974 516 H N -0.135 119.087 119.070 0.254 0.000 2.502 516 H HA 0.312 4.868 4.556 0.000 0.000 0.327 516 H C -1.276 174.232 175.328 0.300 0.000 1.099 516 H CA -0.348 55.862 56.048 0.270 0.000 1.323 516 H CB 0.339 30.212 29.762 0.184 0.000 1.450 516 H HN 0.319 nan 8.280 nan 0.000 0.502 517 W N 9.459 130.538 121.300 -0.369 0.000 2.338 517 W HA 0.321 4.981 4.660 0.000 0.000 0.315 517 W C -2.803 173.516 176.519 -0.333 0.000 1.005 517 W CA -3.148 54.025 57.345 -0.287 0.000 1.380 517 W CB 0.898 30.171 29.460 -0.312 0.000 1.235 517 W HN 0.559 nan 8.180 nan 0.000 0.409 518 P HA -0.022 nan 4.420 nan 0.000 0.268 518 P C -0.018 177.446 177.300 0.275 0.000 1.204 518 P CA 0.445 63.631 63.100 0.143 0.000 0.768 518 P CB 1.208 32.995 31.700 0.146 0.000 0.842 519 E N 2.531 122.790 120.200 0.098 0.000 2.422 519 E HA -0.078 4.272 4.350 0.000 0.000 0.260 519 E C -0.888 175.647 176.600 -0.109 0.000 1.108 519 E CA -0.389 55.837 56.400 -0.291 0.000 0.943 519 E CB 0.212 29.735 29.700 -0.295 0.000 0.961 519 E HN 0.399 nan 8.360 nan 0.000 0.443 520 Y N 5.016 125.132 120.300 -0.307 0.000 2.636 520 Y HA 0.098 4.648 4.550 0.000 0.000 0.341 520 Y C -0.289 175.564 175.900 -0.077 0.000 1.169 520 Y CA -0.447 57.601 58.100 -0.088 0.000 1.498 520 Y CB -0.525 37.899 38.460 -0.059 0.000 1.362 520 Y HN 0.488 nan 8.280 nan 0.000 0.494 521 N N 0.425 119.009 118.700 -0.194 0.000 2.948 521 N HA 0.102 4.842 4.740 0.000 0.000 0.323 521 N C 0.759 176.138 175.510 -0.217 0.000 1.374 521 N CA -0.297 52.673 53.050 -0.134 0.000 0.765 521 N CB 0.152 38.594 38.487 -0.075 0.000 1.152 521 N HN 0.259 nan 8.380 nan 0.000 0.528 522 Q N -0.432 119.297 119.800 -0.118 0.000 2.167 522 Q HA -0.019 4.321 4.340 0.000 0.000 0.202 522 Q C 1.298 177.225 176.000 -0.122 0.000 0.970 522 Q CA 1.331 57.074 55.803 -0.101 0.000 0.855 522 Q CB -0.400 28.311 28.738 -0.046 0.000 0.911 522 Q HN 0.521 nan 8.270 nan 0.000 0.438 523 K N 0.926 121.257 120.400 -0.115 0.000 2.283 523 K HA -0.070 4.250 4.320 0.000 0.000 0.202 523 K C 0.029 176.544 176.600 -0.141 0.000 1.048 523 K CA 0.225 56.462 56.287 -0.084 0.000 0.948 523 K CB 0.170 32.644 32.500 -0.042 0.000 0.742 523 K HN 0.214 nan 8.250 nan 0.000 0.458 524 E N -0.583 119.421 120.200 -0.328 0.000 2.257 524 E HA -0.148 4.202 4.350 0.000 0.000 0.217 524 E C -0.286 176.195 176.600 -0.197 0.000 1.248 524 E CA 0.162 56.182 56.400 -0.634 0.000 0.691 524 E CB -1.747 27.699 29.700 -0.423 0.000 1.185 524 E HN 0.454 nan 8.360 nan 0.000 0.377 525 G N 0.899 109.652 108.800 -0.079 0.000 2.372 525 G HA2 0.474 4.434 3.960 0.000 0.000 0.283 525 G HA3 0.474 4.434 3.960 0.000 0.000 0.283 525 G C -0.301 174.816 174.900 0.360 0.000 1.177 525 G CA -0.198 44.978 45.100 0.128 0.000 0.842 525 G HN 0.303 nan 8.290 nan 0.000 0.503 526 Y N 0.418 120.834 120.300 0.194 0.000 2.857 526 Y HA 0.813 5.363 4.550 0.000 0.000 0.318 526 Y C -1.279 174.628 175.900 0.011 0.000 1.313 526 Y CA -1.871 56.378 58.100 0.248 0.000 1.117 526 Y CB 1.807 40.413 38.460 0.243 0.000 1.344 526 Y HN 0.523 nan 8.280 nan 0.000 0.525 527 L N 1.989 123.147 121.223 -0.108 0.000 2.376 527 L HA 0.443 4.784 4.340 0.000 0.000 0.275 527 L C -1.298 175.463 176.870 -0.182 0.000 0.987 527 L CA -0.753 53.779 54.840 -0.513 0.000 0.828 527 L CB 2.018 43.231 42.059 -1.411 0.000 1.249 527 L HN 0.762 nan 8.230 nan 0.000 0.409 528 Q N 5.655 125.349 119.800 -0.176 0.000 2.279 528 Q HA 0.534 4.874 4.340 0.000 0.000 0.256 528 Q C -0.949 175.025 176.000 -0.045 0.000 0.937 528 Q CA -0.094 55.716 55.803 0.012 0.000 0.933 528 Q CB 1.964 30.699 28.738 -0.004 0.000 1.189 528 Q HN 0.590 nan 8.270 nan 0.000 0.417 529 I N 1.309 121.884 120.570 0.009 0.000 2.530 529 I HA 0.749 4.919 4.170 0.000 0.000 0.297 529 I C 0.462 176.461 176.117 -0.198 0.000 1.011 529 I CA -0.448 60.827 61.300 -0.041 0.000 1.107 529 I CB 2.008 40.059 38.000 0.084 0.000 1.285 529 I HN 0.852 nan 8.210 nan 0.000 0.436 530 G N 2.825 111.501 108.800 -0.207 0.000 2.332 530 G HA2 0.236 4.196 3.960 0.000 0.000 0.265 530 G HA3 0.236 4.196 3.960 0.000 0.000 0.265 530 G C 0.362 175.171 174.900 -0.152 0.000 1.329 530 G CA -0.053 44.877 45.100 -0.284 0.000 0.949 530 G HN 0.699 nan 8.290 nan 0.000 0.476 531 A N -0.480 122.330 122.820 -0.018 0.000 1.929 531 A HA -0.101 4.219 4.320 0.000 0.000 0.221 531 A C 1.162 178.738 177.584 -0.015 0.000 1.211 531 A CA 2.312 54.364 52.037 0.024 0.000 0.657 531 A CB -0.436 18.619 19.000 0.093 0.000 0.827 531 A HN 0.666 nan 8.150 nan 0.000 0.462 532 N N 0.105 118.795 118.700 -0.017 0.000 2.518 532 N HA 0.267 5.007 4.740 0.000 0.000 0.254 532 N C -1.513 173.982 175.510 -0.025 0.000 0.979 532 N CA 0.019 53.060 53.050 -0.016 0.000 0.930 532 N CB 1.212 39.694 38.487 -0.007 0.000 1.152 532 N HN 0.146 nan 8.380 nan 0.000 0.505 533 T N 3.549 118.092 114.554 -0.018 0.000 2.811 533 T HA 0.239 4.589 4.350 0.000 0.000 0.309 533 T C -0.030 174.665 174.700 -0.009 0.000 1.005 533 T CA -0.557 61.534 62.100 -0.014 0.000 0.955 533 T CB 0.573 69.458 68.868 0.028 0.000 0.970 533 T HN 0.417 nan 8.240 nan 0.000 0.496 534 Q N 1.916 121.688 119.800 -0.048 0.000 2.379 534 Q HA 0.718 5.058 4.340 0.000 0.000 0.278 534 Q C -0.966 174.953 176.000 -0.134 0.000 1.068 534 Q CA -1.128 54.644 55.803 -0.052 0.000 0.816 534 Q CB 1.768 30.488 28.738 -0.030 0.000 1.387 534 Q HN 0.491 nan 8.270 nan 0.000 0.413 535 A N 1.292 124.035 122.820 -0.128 0.000 2.409 535 A HA 0.746 5.066 4.320 0.000 0.000 0.246 535 A C -0.072 177.333 177.584 -0.298 0.000 1.099 535 A CA 0.665 52.567 52.037 -0.225 0.000 0.789 535 A CB -0.036 18.908 19.000 -0.093 0.000 1.053 535 A HN 1.324 nan 8.150 nan 0.000 0.503 536 A N -0.674 121.849 122.820 -0.495 0.000 2.588 536 A HA 0.715 5.035 4.320 0.000 0.000 0.309 536 A C -0.895 176.505 177.584 -0.307 0.000 1.173 536 A CA -0.485 51.277 52.037 -0.459 0.000 0.631 536 A CB 0.677 19.288 19.000 -0.648 0.000 1.364 536 A HN 0.848 nan 8.150 nan 0.000 0.526 537 Q N -0.464 119.363 119.800 0.045 0.000 2.501 537 Q HA 0.531 4.871 4.340 0.000 0.000 0.288 537 Q C -1.391 174.853 176.000 0.406 0.000 1.051 537 Q CA -1.062 54.896 55.803 0.258 0.000 0.788 537 Q CB 2.010 30.809 28.738 0.102 0.000 1.469 537 Q HN 0.620 nan 8.270 nan 0.000 0.416 538 K N 1.162 121.713 120.400 0.250 0.000 4.075 538 K HA -0.223 4.097 4.320 0.000 0.000 0.278 538 K C -0.580 176.093 176.600 0.121 0.000 0.862 538 K CA 0.012 56.392 56.287 0.155 0.000 0.762 538 K CB -1.227 31.335 32.500 0.104 0.000 1.660 538 K HN 0.368 nan 8.250 nan 0.000 0.437 539 L N 2.128 123.331 121.223 -0.035 0.000 2.559 539 L HA -0.043 4.297 4.340 0.000 0.000 0.274 539 L C 0.781 177.601 176.870 -0.084 0.000 1.205 539 L CA 0.802 55.444 54.840 -0.331 0.000 0.907 539 L CB 0.333 41.932 42.059 -0.767 0.000 1.153 539 L HN 0.394 nan 8.230 nan 0.000 0.490 540 K N 2.316 122.699 120.400 -0.027 0.000 3.281 540 K HA -0.327 3.993 4.320 0.000 0.000 0.308 540 K C 1.225 177.883 176.600 0.097 0.000 1.218 540 K CA 1.316 57.637 56.287 0.057 0.000 0.923 540 K CB -1.531 31.005 32.500 0.060 0.000 1.222 540 K HN 0.971 nan 8.250 nan 0.000 0.440 541 D N 1.111 121.561 120.400 0.084 0.000 2.200 541 D HA -0.226 4.414 4.640 0.000 0.000 0.192 541 D C 1.699 178.065 176.300 0.111 0.000 1.008 541 D CA 2.002 56.061 54.000 0.099 0.000 0.872 541 D CB 0.131 40.982 40.800 0.086 0.000 0.923 541 D HN 0.589 nan 8.370 nan 0.000 0.447 542 K N 0.030 120.489 120.400 0.099 0.000 2.097 542 K HA -0.176 4.144 4.320 0.000 0.000 0.205 542 K C 2.025 178.721 176.600 0.160 0.000 1.050 542 K CA 1.346 57.689 56.287 0.093 0.000 0.938 542 K CB 0.114 32.639 32.500 0.042 0.000 0.718 542 K HN -0.002 nan 8.250 nan 0.000 0.442 543 E N 0.205 120.536 120.200 0.218 0.000 2.072 543 E HA -0.114 4.236 4.350 0.000 0.000 0.190 543 E C 1.936 178.812 176.600 0.460 0.000 0.982 543 E CA 1.047 57.694 56.400 0.411 0.000 0.803 543 E CB -0.143 29.839 29.700 0.470 0.000 0.755 543 E HN 0.036 nan 8.360 nan 0.000 0.453 544 V N 1.469 121.562 119.914 0.298 0.000 2.252 544 V HA -0.347 3.773 4.120 0.000 0.000 0.249 544 V C 2.290 178.520 176.094 0.227 0.000 1.056 544 V CA 2.071 64.517 62.300 0.245 0.000 1.022 544 V CB -1.054 30.866 31.823 0.161 0.000 0.641 544 V HN 0.374 nan 8.190 nan 0.000 0.445 545 A N -0.379 122.553 122.820 0.187 0.000 1.883 545 A HA -0.261 4.060 4.320 0.000 0.000 0.217 545 A C 2.118 179.787 177.584 0.142 0.000 1.186 545 A CA 2.247 54.370 52.037 0.144 0.000 0.624 545 A CB -0.739 18.334 19.000 0.121 0.000 0.822 545 A HN 0.546 nan 8.150 nan 0.000 0.444 546 F N -0.707 119.250 119.950 0.012 0.000 2.051 546 F HA -0.165 4.362 4.527 0.000 0.000 0.296 546 F C 1.994 177.685 175.800 -0.181 0.000 1.122 546 F CA 1.626 59.547 58.000 -0.131 0.000 1.201 546 F CB -0.917 37.932 39.000 -0.252 0.000 0.978 546 F HN 0.367 nan 8.300 nan 0.000 0.472 547 W N 0.670 121.749 121.300 -0.369 0.000 2.374 547 W HA -0.144 4.516 4.660 0.000 0.000 0.288 547 W C 2.617 178.955 176.519 -0.302 0.000 1.218 547 W CA 1.752 58.758 57.345 -0.564 0.000 1.245 547 W CB -1.230 28.076 29.460 -0.258 0.000 1.126 547 W HN -0.070 nan 8.180 nan 0.000 0.545 548 T N 0.670 115.296 114.554 0.119 0.000 2.720 548 T HA -0.222 4.129 4.350 0.000 0.000 0.268 548 T C 1.497 176.236 174.700 0.065 0.000 1.037 548 T CA 1.804 63.990 62.100 0.143 0.000 1.144 548 T CB -0.375 68.564 68.868 0.119 0.000 0.864 548 T HN 0.193 nan 8.240 nan 0.000 0.444 549 N N 1.132 119.802 118.700 -0.050 0.000 2.173 549 N HA 0.018 4.758 4.740 0.000 0.000 0.184 549 N C 1.855 177.291 175.510 -0.123 0.000 1.025 549 N CA 0.514 53.527 53.050 -0.061 0.000 0.852 549 N CB -0.760 37.690 38.487 -0.062 0.000 0.998 549 N HN 0.192 nan 8.380 nan 0.000 0.427 550 L N 1.096 122.105 121.223 -0.356 0.000 2.021 550 L HA -0.102 4.239 4.340 0.000 0.000 0.215 550 L C 1.951 178.729 176.870 -0.153 0.000 1.074 550 L CA 1.564 56.154 54.840 -0.418 0.000 0.760 550 L CB -0.940 40.564 42.059 -0.924 0.000 0.889 550 L HN 0.073 nan 8.230 nan 0.000 0.433 551 F N -0.980 118.943 119.950 -0.046 0.000 2.325 551 F HA -0.076 4.451 4.527 0.000 0.000 0.299 551 F C 2.294 178.097 175.800 0.006 0.000 1.090 551 F CA 0.348 58.358 58.000 0.018 0.000 1.392 551 F CB -0.296 38.730 39.000 0.043 0.000 1.053 551 F HN 0.218 nan 8.300 nan 0.000 0.521 552 A N 0.143 123.064 122.820 0.169 0.000 2.239 552 A HA 0.017 4.338 4.320 0.000 0.000 0.209 552 A C 0.705 178.331 177.584 0.071 0.000 1.171 552 A CA 0.347 52.442 52.037 0.097 0.000 0.768 552 A CB -0.498 18.539 19.000 0.061 0.000 0.790 552 A HN 0.372 nan 8.150 nan 0.000 0.478 553 K N 0.000 120.444 120.400 0.074 0.000 2.780 553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 553 K CA 0.000 56.316 56.287 0.049 0.000 0.838 553 K CB 0.000 32.535 32.500 0.059 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543