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 1yaj_1_H 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 0.000 174.660 174.600 0.100 0.000 1.055 21 S CA 0.000 58.228 58.200 0.046 0.000 1.107 21 S CB 0.000 63.205 63.200 0.008 0.000 0.593 22 S N 2.747 118.530 115.700 0.137 0.000 2.410 22 S HA 0.679 5.149 4.470 -0.000 0.000 0.304 22 S C -2.622 172.104 174.600 0.210 0.000 1.095 22 S CA -1.276 57.007 58.200 0.138 0.000 1.089 22 S CB 0.423 63.687 63.200 0.106 0.000 0.968 22 S HN 0.364 nan 8.310 nan 0.000 0.480 23 P HA 0.179 nan 4.420 nan 0.000 0.270 23 P C -1.975 175.238 177.300 -0.146 0.000 1.216 23 P CA -0.575 62.502 63.100 -0.038 0.000 0.788 23 P CB -0.419 31.243 31.700 -0.063 0.000 0.883 24 P HA 0.361 4.781 4.420 -0.000 0.000 0.280 24 P C -1.489 175.779 177.300 -0.053 0.000 1.244 24 P CA -0.140 62.737 63.100 -0.371 0.000 0.784 24 P CB 0.674 31.963 31.700 -0.685 0.000 0.913 25 V N 3.249 123.195 119.914 0.054 0.000 2.398 25 V HA 0.255 4.375 4.120 -0.000 0.000 0.282 25 V C -0.147 175.978 176.094 0.053 0.000 1.014 25 V CA -0.670 61.688 62.300 0.096 0.000 0.838 25 V CB 1.711 33.575 31.823 0.068 0.000 1.018 25 V HN 0.293 nan 8.190 nan 0.000 0.432 26 V N 2.865 122.791 119.914 0.021 0.000 2.547 26 V HA 0.487 4.607 4.120 -0.000 0.000 0.299 26 V C -0.406 175.623 176.094 -0.109 0.000 1.040 26 V CA -0.461 61.707 62.300 -0.220 0.000 0.913 26 V CB 2.276 33.598 31.823 -0.834 0.000 0.992 26 V HN 0.911 nan 8.190 nan 0.000 0.449 27 D N 2.787 123.114 120.400 -0.122 0.000 2.329 27 D HA 0.495 5.135 4.640 -0.000 0.000 0.232 27 D C 0.096 176.351 176.300 -0.075 0.000 1.088 27 D CA -0.063 53.906 54.000 -0.051 0.000 0.835 27 D CB 1.368 42.137 40.800 -0.052 0.000 1.078 27 D HN 0.774 nan 8.370 nan 0.000 0.495 28 T N -0.276 114.269 114.554 -0.014 0.000 2.938 28 T HA 0.303 4.653 4.350 -0.000 0.000 0.285 28 T C 1.466 176.061 174.700 -0.175 0.000 1.028 28 T CA -0.704 61.366 62.100 -0.049 0.000 1.005 28 T CB 0.992 69.949 68.868 0.147 0.000 1.157 28 T HN 0.043 nan 8.240 nan 0.000 0.550 29 V N 1.221 120.966 119.914 -0.281 0.000 2.317 29 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 29 V C 2.483 178.313 176.094 -0.440 0.000 1.065 29 V CA 1.943 64.010 62.300 -0.389 0.000 1.049 29 V CB -1.129 30.363 31.823 -0.553 0.000 0.651 29 V HN 0.877 nan 8.190 nan 0.000 0.450 30 H N -0.188 118.674 119.070 -0.348 0.000 2.551 30 H HA 0.413 4.969 4.556 -0.000 0.000 0.266 30 H C 1.032 175.607 175.328 -1.254 0.000 0.977 30 H CA 1.007 56.672 56.048 -0.638 0.000 1.163 30 H CB 0.365 29.786 29.762 -0.569 0.000 1.381 30 H HN 0.551 nan 8.280 nan 0.000 0.581 31 G N 0.407 108.701 108.800 -0.844 0.000 2.312 31 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.347 31 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.347 31 G C -1.079 173.818 174.900 -0.005 0.000 1.564 31 G CA -1.071 43.490 45.100 -0.899 0.000 0.981 31 G HN -0.070 nan 8.290 nan 0.000 0.678 32 K N -0.222 120.333 120.400 0.257 0.000 2.485 32 K HA 0.364 4.684 4.320 -0.000 0.000 0.277 32 K C -0.023 176.942 176.600 0.607 0.000 0.990 32 K CA 0.002 56.508 56.287 0.365 0.000 0.994 32 K CB 1.509 34.163 32.500 0.257 0.000 0.906 32 K HN 0.375 nan 8.250 nan 0.000 0.488 33 V N 4.320 124.481 119.914 0.413 0.000 2.588 33 V HA 0.249 4.369 4.120 -0.000 0.000 0.304 33 V C -0.383 175.914 176.094 0.337 0.000 1.042 33 V CA -0.977 61.563 62.300 0.401 0.000 0.877 33 V CB 2.009 34.125 31.823 0.488 0.000 0.996 33 V HN 0.543 nan 8.190 nan 0.000 0.425 34 L N 4.393 125.756 121.223 0.233 0.000 2.295 34 L HA 0.880 5.220 4.340 -0.000 0.000 0.285 34 L C 0.301 177.162 176.870 -0.015 0.000 1.035 34 L CA 0.462 55.365 54.840 0.105 0.000 0.806 34 L CB 1.081 43.157 42.059 0.029 0.000 1.214 34 L HN 0.796 nan 8.230 nan 0.000 0.426 35 G N 4.883 113.503 108.800 -0.299 0.000 3.140 35 G HA2 0.609 4.569 3.960 -0.000 0.000 0.271 35 G HA3 0.609 4.569 3.960 -0.000 0.000 0.271 35 G C -1.351 173.189 174.900 -0.601 0.000 1.370 35 G CA -0.578 44.075 45.100 -0.746 0.000 1.014 35 G HN 0.659 nan 8.290 nan 0.000 0.541 36 K N -1.317 118.709 120.400 -0.624 0.000 2.352 36 K HA 0.702 5.022 4.320 -0.000 0.000 0.240 36 K C -1.611 174.727 176.600 -0.437 0.000 1.017 36 K CA -0.877 55.166 56.287 -0.406 0.000 0.851 36 K CB 2.299 34.667 32.500 -0.221 0.000 1.261 36 K HN 0.309 nan 8.250 nan 0.000 0.451 37 F N 0.612 120.499 119.950 -0.105 0.000 2.443 37 F HA 0.472 4.999 4.527 -0.000 0.000 0.335 37 F C -0.484 175.305 175.800 -0.018 0.000 1.104 37 F CA -0.892 57.076 58.000 -0.054 0.000 1.013 37 F CB 2.259 41.242 39.000 -0.029 0.000 1.136 37 F HN 0.086 nan 8.300 nan 0.000 0.470 38 V N 1.987 122.064 119.914 0.272 0.000 2.841 38 V HA 0.480 4.600 4.120 -0.000 0.000 0.310 38 V C -1.112 175.070 176.094 0.148 0.000 1.090 38 V CA -0.852 61.549 62.300 0.169 0.000 0.930 38 V CB 2.421 34.333 31.823 0.148 0.000 1.014 38 V HN 0.755 nan 8.190 nan 0.000 0.425 39 S N 4.190 119.954 115.700 0.107 0.000 2.502 39 S HA 0.791 5.261 4.470 -0.000 0.000 0.304 39 S C -0.929 173.731 174.600 0.100 0.000 1.097 39 S CA -0.571 57.682 58.200 0.089 0.000 1.045 39 S CB 2.001 65.236 63.200 0.057 0.000 1.019 39 S HN 0.568 nan 8.310 nan 0.000 0.481 40 L N 2.163 123.462 121.223 0.126 0.000 2.309 40 L HA 0.545 4.885 4.340 -0.000 0.000 0.282 40 L C 0.053 177.030 176.870 0.178 0.000 1.036 40 L CA -0.530 54.405 54.840 0.158 0.000 0.806 40 L CB 1.232 43.386 42.059 0.159 0.000 1.220 40 L HN 0.764 nan 8.230 nan 0.000 0.429 41 E N 3.568 123.847 120.200 0.132 0.000 2.562 41 E HA 0.365 4.715 4.350 -0.000 0.000 0.241 41 E C 0.760 177.365 176.600 0.007 0.000 1.136 41 E CA 1.294 57.740 56.400 0.077 0.000 0.952 41 E CB -0.394 29.357 29.700 0.085 0.000 0.975 41 E HN 0.770 nan 8.360 nan 0.000 0.494 42 G N 3.518 112.262 108.800 -0.093 0.000 2.198 42 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.156 42 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.156 42 G C -0.379 174.054 174.900 -0.778 0.000 1.012 42 G CA -0.347 44.519 45.100 -0.390 0.000 0.692 42 G HN 0.346 nan 8.290 nan 0.000 0.492 43 F N -0.221 119.691 119.950 -0.063 0.000 2.607 43 F HA 0.661 5.188 4.527 -0.000 0.000 0.322 43 F C 1.118 176.892 175.800 -0.043 0.000 1.176 43 F CA -0.228 57.732 58.000 -0.065 0.000 0.977 43 F CB 1.613 40.556 39.000 -0.095 0.000 1.242 43 F HN 0.101 nan 8.300 nan 0.000 0.465 44 A N 1.511 124.399 122.820 0.114 0.000 1.845 44 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 44 A C 1.199 178.809 177.584 0.044 0.000 1.195 44 A CA 1.222 53.290 52.037 0.052 0.000 0.616 44 A CB -0.439 18.577 19.000 0.027 0.000 0.832 44 A HN 0.663 nan 8.150 nan 0.000 0.443 45 Q N 1.478 121.316 119.800 0.062 0.000 2.263 45 Q HA 0.227 4.567 4.340 -0.000 0.000 0.270 45 Q C -2.357 173.664 176.000 0.035 0.000 1.104 45 Q CA -2.273 53.548 55.803 0.030 0.000 0.909 45 Q CB 0.301 29.066 28.738 0.044 0.000 1.214 45 Q HN 0.402 nan 8.270 nan 0.000 0.400 46 P HA 0.007 nan 4.420 nan 0.000 0.271 46 P C -0.777 176.618 177.300 0.158 0.000 1.218 46 P CA -0.206 62.915 63.100 0.036 0.000 0.780 46 P CB 0.866 32.504 31.700 -0.103 0.000 0.901 47 V N 2.455 122.475 119.914 0.177 0.000 2.583 47 V HA 0.316 4.436 4.120 -0.000 0.000 0.287 47 V C 0.893 177.162 176.094 0.292 0.000 1.051 47 V CA -0.325 62.099 62.300 0.207 0.000 1.010 47 V CB 0.775 32.687 31.823 0.148 0.000 0.988 47 V HN 0.738 nan 8.190 nan 0.000 0.478 48 A N 7.021 130.001 122.820 0.266 0.000 2.269 48 A HA 0.681 5.001 4.320 -0.000 0.000 0.302 48 A C -0.348 177.270 177.584 0.056 0.000 1.266 48 A CA -0.350 51.730 52.037 0.072 0.000 0.894 48 A CB -0.112 18.986 19.000 0.163 0.000 1.147 48 A HN 0.756 nan 8.150 nan 0.000 0.537 49 I N 2.571 123.008 120.570 -0.223 0.000 2.354 49 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 49 I C -1.177 174.609 176.117 -0.551 0.000 0.989 49 I CA -0.252 60.882 61.300 -0.276 0.000 1.188 49 I CB 1.272 39.176 38.000 -0.160 0.000 1.342 49 I HN 0.519 nan 8.210 nan 0.000 0.457 50 F N 6.648 126.446 119.950 -0.254 0.000 2.460 50 F HA 0.515 5.042 4.527 -0.000 0.000 0.341 50 F C -0.187 175.466 175.800 -0.246 0.000 1.130 50 F CA -0.544 57.364 58.000 -0.154 0.000 0.962 50 F CB 1.207 40.238 39.000 0.051 0.000 1.171 50 F HN 0.120 nan 8.300 nan 0.000 0.436 51 L N 2.317 123.457 121.223 -0.138 0.000 2.325 51 L HA 0.727 5.067 4.340 -0.000 0.000 0.278 51 L C 0.848 177.644 176.870 -0.123 0.000 1.023 51 L CA -1.058 53.666 54.840 -0.193 0.000 0.811 51 L CB 1.635 43.454 42.059 -0.400 0.000 1.249 51 L HN 0.864 nan 8.230 nan 0.000 0.431 52 G N 2.936 111.683 108.800 -0.089 0.000 2.225 52 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.264 52 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.264 52 G C -0.187 174.764 174.900 0.085 0.000 1.060 52 G CA -0.377 44.664 45.100 -0.098 0.000 0.833 52 G HN 0.476 nan 8.290 nan 0.000 0.498 53 I N 2.169 122.788 120.570 0.081 0.000 2.352 53 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 53 I C -1.516 174.611 176.117 0.017 0.000 1.036 53 I CA -2.185 59.136 61.300 0.035 0.000 1.336 53 I CB 1.324 39.267 38.000 -0.094 0.000 1.407 53 I HN -0.009 nan 8.210 nan 0.000 0.497 54 P HA 0.068 nan 4.420 nan 0.000 0.282 54 P C -0.237 176.892 177.300 -0.287 0.000 1.262 54 P CA -0.125 62.765 63.100 -0.350 0.000 0.773 54 P CB 0.573 32.079 31.700 -0.324 0.000 0.879 55 F N 1.631 121.329 119.950 -0.420 0.000 2.653 55 F HA 0.743 5.270 4.527 -0.000 0.000 0.304 55 F C -0.054 175.716 175.800 -0.050 0.000 1.092 55 F CA -1.025 56.742 58.000 -0.387 0.000 1.279 55 F CB 0.185 38.863 39.000 -0.536 0.000 1.044 55 F HN 0.359 nan 8.300 nan 0.000 0.564 56 A N 0.878 123.274 122.820 -0.706 0.000 2.605 56 A HA 0.458 4.778 4.320 -0.000 0.000 0.294 56 A C -1.151 176.167 177.584 -0.444 0.000 1.062 56 A CA -1.122 50.610 52.037 -0.508 0.000 0.682 56 A CB 0.856 19.441 19.000 -0.691 0.000 1.278 56 A HN 0.254 nan 8.150 nan 0.000 0.410 57 K N 1.704 121.948 120.400 -0.261 0.000 2.412 57 K HA 0.335 4.655 4.320 -0.000 0.000 0.281 57 K C -2.331 174.124 176.600 -0.242 0.000 1.027 57 K CA -1.127 55.035 56.287 -0.208 0.000 0.989 57 K CB 0.200 32.627 32.500 -0.122 0.000 0.935 57 K HN 0.308 nan 8.250 nan 0.000 0.475 58 P HA -0.059 nan 4.420 nan 0.000 0.253 58 P C -2.346 174.850 177.300 -0.172 0.000 1.170 58 P CA -0.692 62.280 63.100 -0.213 0.000 0.806 58 P CB 0.080 31.694 31.700 -0.143 0.000 0.775 59 P HA -0.026 nan 4.420 nan 0.000 0.238 59 P C -0.487 176.712 177.300 -0.169 0.000 1.649 59 P CA 0.585 63.582 63.100 -0.172 0.000 0.960 59 P CB -0.076 31.519 31.700 -0.175 0.000 1.911 60 L N -0.161 120.979 121.223 -0.139 0.000 2.375 60 L HA 0.565 4.905 4.340 -0.000 0.000 0.268 60 L C 1.675 178.478 176.870 -0.112 0.000 1.058 60 L CA -0.138 54.630 54.840 -0.120 0.000 0.803 60 L CB 0.515 42.518 42.059 -0.093 0.000 1.212 60 L HN 0.302 nan 8.230 nan 0.000 0.451 61 G N 1.634 110.374 108.800 -0.099 0.000 2.591 61 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.298 61 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.298 61 G C -1.357 173.480 174.900 -0.104 0.000 1.195 61 G CA 0.270 45.319 45.100 -0.084 0.000 0.989 61 G HN 0.611 nan 8.290 nan 0.000 0.551 62 P HA 0.013 nan 4.420 nan 0.000 0.220 62 P C 2.128 179.369 177.300 -0.098 0.000 1.148 62 P CA 1.542 64.610 63.100 -0.052 0.000 0.803 62 P CB -0.103 31.589 31.700 -0.014 0.000 0.782 63 L N -0.918 120.234 121.223 -0.119 0.000 2.642 63 L HA -0.037 4.303 4.340 -0.000 0.000 0.236 63 L C 1.865 178.579 176.870 -0.260 0.000 1.169 63 L CA 0.199 54.947 54.840 -0.152 0.000 0.851 63 L CB -0.642 41.340 42.059 -0.129 0.000 0.968 63 L HN -0.025 nan 8.230 nan 0.000 0.453 64 R N 0.165 120.465 120.500 -0.333 0.000 2.594 64 R HA 0.019 4.359 4.340 -0.000 0.000 0.272 64 R C -0.046 175.813 176.300 -0.735 0.000 1.074 64 R CA -0.363 55.360 56.100 -0.630 0.000 1.105 64 R CB 0.315 30.139 30.300 -0.793 0.000 1.008 64 R HN 0.025 nan 8.270 nan 0.000 0.472 65 F N 0.048 119.626 119.950 -0.621 0.000 3.067 65 F HA -0.272 4.254 4.527 -0.000 0.000 0.279 65 F C 0.003 174.782 175.800 -1.702 0.000 0.945 65 F CA 1.437 58.672 58.000 -1.276 0.000 0.948 65 F CB -2.548 36.153 39.000 -0.498 0.000 0.898 65 F HN 0.635 nan 8.300 nan 0.000 0.746 66 T N -3.889 109.936 114.554 -1.215 0.000 2.889 66 T HA 0.696 5.046 4.350 -0.000 0.000 0.315 66 T C -3.049 171.513 174.700 -0.231 0.000 1.291 66 T CA -2.333 59.364 62.100 -0.672 0.000 1.028 66 T CB 3.054 71.773 68.868 -0.249 0.000 1.235 66 T HN -0.251 nan 8.240 nan 0.000 0.491 67 P HA 0.171 nan 4.420 nan 0.000 0.266 67 P C -2.324 175.035 177.300 0.099 0.000 1.186 67 P CA -0.579 62.655 63.100 0.224 0.000 0.767 67 P CB -0.202 31.632 31.700 0.224 0.000 0.820 68 P HA 0.039 nan 4.420 nan 0.000 0.271 68 P C -0.623 176.708 177.300 0.051 0.000 1.226 68 P CA 0.282 63.417 63.100 0.058 0.000 0.765 68 P CB 0.753 32.523 31.700 0.116 0.000 0.835 69 Q N 3.704 123.504 119.800 0.000 0.000 2.214 69 Q HA 0.374 4.714 4.340 -0.000 0.000 0.251 69 Q C -2.160 173.845 176.000 0.009 0.000 0.936 69 Q CA -1.900 53.910 55.803 0.012 0.000 0.894 69 Q CB 0.718 29.450 28.738 -0.010 0.000 1.252 69 Q HN 0.370 nan 8.270 nan 0.000 0.448 70 P HA -0.009 nan 4.420 nan 0.000 0.269 70 P C -1.226 176.055 177.300 -0.032 0.000 1.215 70 P CA 0.097 63.238 63.100 0.068 0.000 0.780 70 P CB 0.532 32.315 31.700 0.140 0.000 0.898 71 A N 2.323 125.059 122.820 -0.141 0.000 2.386 71 A HA 0.185 4.505 4.320 -0.000 0.000 0.248 71 A C 0.263 177.722 177.584 -0.209 0.000 1.082 71 A CA -0.309 51.603 52.037 -0.208 0.000 0.789 71 A CB -0.037 18.827 19.000 -0.227 0.000 1.025 71 A HN 0.458 nan 8.150 nan 0.000 0.490 72 E N 2.244 122.400 120.200 -0.073 0.000 2.289 72 E HA 0.283 4.633 4.350 -0.000 0.000 0.278 72 E C -2.212 174.407 176.600 0.032 0.000 1.032 72 E CA -1.554 54.841 56.400 -0.008 0.000 0.854 72 E CB 0.483 30.196 29.700 0.022 0.000 1.046 72 E HN 0.481 nan 8.360 nan 0.000 0.409 73 P HA 0.072 nan 4.420 nan 0.000 0.271 73 P C -0.701 176.607 177.300 0.013 0.000 1.216 73 P CA -0.345 62.696 63.100 -0.099 0.000 0.776 73 P CB 0.274 31.914 31.700 -0.100 0.000 0.881 74 W N 1.381 122.708 121.300 0.044 0.000 2.375 74 W HA 0.514 5.174 4.660 0.000 0.000 0.336 74 W C 0.671 177.162 176.519 -0.047 0.000 1.160 74 W CA -0.672 56.681 57.345 0.013 0.000 1.266 74 W CB -0.479 29.016 29.460 0.057 0.000 1.195 74 W HN 0.174 nan 8.180 nan 0.000 0.599 75 S N 0.667 116.388 115.700 0.035 0.000 2.501 75 S HA 0.152 4.622 4.470 -0.000 0.000 0.220 75 S C 0.205 174.511 174.600 -0.490 0.000 0.997 75 S CA 0.286 58.300 58.200 -0.310 0.000 0.919 75 S CB -0.307 62.593 63.200 -0.500 0.000 0.778 75 S HN 0.474 nan 8.310 nan 0.000 0.523 76 F N -0.608 119.482 119.950 0.232 0.000 3.345 76 F HA 0.457 4.984 4.527 -0.000 0.000 0.253 76 F C -0.299 175.678 175.800 0.295 0.000 1.576 76 F CA -1.190 56.923 58.000 0.190 0.000 0.970 76 F CB 0.366 39.444 39.000 0.131 0.000 1.808 76 F HN -0.359 nan 8.300 nan 0.000 0.354 77 V N 1.564 121.751 119.914 0.455 0.000 2.383 77 V HA 0.242 4.362 4.120 -0.000 0.000 0.275 77 V C -0.432 175.784 176.094 0.203 0.000 1.036 77 V CA -0.740 61.758 62.300 0.330 0.000 0.889 77 V CB 1.046 32.996 31.823 0.211 0.000 0.985 77 V HN 0.376 nan 8.190 nan 0.000 0.459 78 K N 4.831 125.289 120.400 0.096 0.000 2.276 78 K HA 0.189 4.509 4.320 -0.000 0.000 0.285 78 K C 0.489 177.034 176.600 -0.093 0.000 1.062 78 K CA -0.167 55.999 56.287 -0.203 0.000 0.918 78 K CB 0.317 32.308 32.500 -0.850 0.000 1.055 78 K HN 0.651 nan 8.250 nan 0.000 0.477 79 N N 3.665 122.314 118.700 -0.084 0.000 2.454 79 N HA -0.026 4.714 4.740 -0.000 0.000 0.285 79 N C -0.823 174.629 175.510 -0.096 0.000 1.233 79 N CA 0.029 53.037 53.050 -0.070 0.000 1.036 79 N CB 0.459 38.905 38.487 -0.069 0.000 1.423 79 N HN 0.585 nan 8.380 nan 0.000 0.495 80 A N 2.431 125.216 122.820 -0.058 0.000 3.118 80 A HA 0.105 4.425 4.320 -0.000 0.000 0.256 80 A C 1.203 178.713 177.584 -0.122 0.000 1.667 80 A CA -0.350 51.652 52.037 -0.057 0.000 1.338 80 A CB -0.537 18.519 19.000 0.093 0.000 1.127 80 A HN 0.544 nan 8.150 nan 0.000 0.634 81 T N -3.480 110.982 114.554 -0.154 0.000 3.145 81 T HA 0.371 4.721 4.350 -0.000 0.000 0.281 81 T C 0.418 174.995 174.700 -0.206 0.000 1.003 81 T CA 0.271 62.255 62.100 -0.192 0.000 0.901 81 T CB -0.005 68.770 68.868 -0.155 0.000 1.112 81 T HN 0.312 nan 8.240 nan 0.000 0.535 82 S N -0.022 115.555 115.700 -0.205 0.000 2.600 82 S HA 0.654 5.124 4.470 -0.000 0.000 0.300 82 S C -1.402 173.063 174.600 -0.225 0.000 1.087 82 S CA -0.683 57.409 58.200 -0.181 0.000 0.965 82 S CB 0.747 63.875 63.200 -0.120 0.000 1.089 82 S HN 0.312 nan 8.310 nan 0.000 0.496 83 Y N 3.837 124.086 120.300 -0.085 0.000 2.496 83 Y HA 0.269 4.819 4.550 0.000 0.000 0.334 83 Y C -1.403 174.417 175.900 -0.135 0.000 1.080 83 Y CA -1.342 56.713 58.100 -0.076 0.000 1.355 83 Y CB 0.405 38.842 38.460 -0.038 0.000 1.193 83 Y HN 0.492 nan 8.280 nan 0.000 0.523 84 P HA 0.132 nan 4.420 nan 0.000 0.272 84 P C -2.679 174.575 177.300 -0.077 0.000 1.230 84 P CA -1.337 61.634 63.100 -0.214 0.000 0.788 84 P CB 0.728 32.284 31.700 -0.241 0.000 0.949 85 P HA 0.240 nan 4.420 nan 0.000 0.274 85 P C -0.248 177.050 177.300 -0.004 0.000 1.256 85 P CA -0.080 62.984 63.100 -0.060 0.000 0.795 85 P CB 0.260 31.911 31.700 -0.082 0.000 1.038 86 M N -1.048 118.540 119.600 -0.020 0.000 2.508 86 M HA 0.513 4.993 4.480 -0.000 0.000 0.327 86 M C -0.955 175.309 176.300 -0.061 0.000 1.160 86 M CA -0.796 54.501 55.300 -0.006 0.000 0.980 86 M CB 1.017 33.609 32.600 -0.014 0.000 1.693 86 M HN 0.081 nan 8.290 nan 0.000 0.452 87 c N 2.265 120.826 118.600 -0.065 0.000 2.538 87 c HA 0.079 4.649 4.570 -0.000 0.000 0.408 87 c C 0.926 174.888 174.090 -0.213 0.000 1.421 87 c CA 0.050 56.287 56.329 -0.152 0.000 1.642 87 c CB -0.919 41.527 42.510 -0.107 0.000 2.553 87 c HN 0.882 nan 8.230 nan 0.000 0.604 88 T N 5.059 119.355 114.554 -0.430 0.000 2.830 88 T HA 0.150 4.500 4.350 -0.000 0.000 0.282 88 T C 0.066 174.668 174.700 -0.163 0.000 1.024 88 T CA 0.784 62.602 62.100 -0.469 0.000 1.144 88 T CB -0.220 67.963 68.868 -1.142 0.000 1.035 88 T HN 0.906 nan 8.240 nan 0.000 0.507 89 Q N 0.912 120.700 119.800 -0.018 0.000 2.756 89 Q HA 0.325 4.665 4.340 -0.000 0.000 0.295 89 Q C -1.559 174.494 176.000 0.087 0.000 0.903 89 Q CA -1.201 54.666 55.803 0.107 0.000 0.768 89 Q CB 0.776 29.552 28.738 0.064 0.000 1.472 89 Q HN 0.387 nan 8.270 nan 0.000 0.416 90 D N 2.668 123.135 120.400 0.112 0.000 2.376 90 D HA 0.035 4.675 4.640 -0.000 0.000 0.278 90 D C -1.171 175.151 176.300 0.037 0.000 1.384 90 D CA -1.344 52.703 54.000 0.079 0.000 1.033 90 D CB 0.849 41.701 40.800 0.086 0.000 1.102 90 D HN 0.288 nan 8.370 nan 0.000 0.530 91 P HA -0.273 nan 4.420 nan 0.000 0.216 91 P C 1.134 178.430 177.300 -0.008 0.000 1.157 91 P CA 1.422 64.520 63.100 -0.003 0.000 0.880 91 P CB 0.300 31.996 31.700 -0.007 0.000 0.791 92 K N -0.163 120.237 120.400 -0.000 0.000 2.001 92 K HA -0.150 4.170 4.320 -0.000 0.000 0.214 92 K C 2.439 179.031 176.600 -0.013 0.000 1.050 92 K CA 1.953 58.236 56.287 -0.006 0.000 0.934 92 K CB -0.738 31.762 32.500 0.000 0.000 0.718 92 K HN 0.065 nan 8.250 nan 0.000 0.443 93 A N 0.909 123.727 122.820 -0.004 0.000 1.898 93 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 93 A C 2.419 179.986 177.584 -0.028 0.000 1.181 93 A CA 1.901 53.930 52.037 -0.014 0.000 0.620 93 A CB -1.224 17.781 19.000 0.009 0.000 0.819 93 A HN 0.472 nan 8.150 nan 0.000 0.442 94 G N -0.763 108.027 108.800 -0.017 0.000 2.476 94 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 94 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 94 G C 1.660 176.527 174.900 -0.055 0.000 1.164 94 G CA 1.223 46.303 45.100 -0.033 0.000 0.768 94 G HN 0.628 nan 8.290 nan 0.000 0.560 95 Q N -0.567 119.203 119.800 -0.050 0.000 2.172 95 Q HA -0.002 4.338 4.340 -0.000 0.000 0.200 95 Q C 2.421 178.379 176.000 -0.069 0.000 0.964 95 Q CA 0.847 56.614 55.803 -0.060 0.000 0.855 95 Q CB -0.169 28.540 28.738 -0.048 0.000 0.918 95 Q HN 0.410 nan 8.270 nan 0.000 0.444 96 L N 0.751 121.936 121.223 -0.064 0.000 1.976 96 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 96 L C 2.162 178.958 176.870 -0.123 0.000 1.071 96 L CA 1.782 56.578 54.840 -0.073 0.000 0.746 96 L CB -1.003 41.019 42.059 -0.061 0.000 0.890 96 L HN 0.389 nan 8.230 nan 0.000 0.432 97 L N -0.798 120.329 121.223 -0.161 0.000 2.127 97 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 97 L C 2.705 179.405 176.870 -0.283 0.000 1.089 97 L CA 1.941 56.600 54.840 -0.301 0.000 0.757 97 L CB -0.678 41.239 42.059 -0.236 0.000 0.899 97 L HN 0.551 nan 8.230 nan 0.000 0.434 98 S N -0.575 115.032 115.700 -0.155 0.000 2.359 98 S HA -0.258 4.212 4.470 -0.000 0.000 0.224 98 S C 1.840 176.351 174.600 -0.148 0.000 1.035 98 S CA 1.825 59.943 58.200 -0.137 0.000 1.018 98 S CB -0.332 62.800 63.200 -0.112 0.000 0.876 98 S HN 0.682 nan 8.310 nan 0.000 0.448 99 E N 0.723 120.853 120.200 -0.117 0.000 2.051 99 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 99 E C 2.231 178.806 176.600 -0.040 0.000 0.991 99 E CA 1.463 57.819 56.400 -0.073 0.000 0.799 99 E CB -0.419 29.256 29.700 -0.043 0.000 0.748 99 E HN 0.492 nan 8.360 nan 0.000 0.449 100 L N 0.001 121.175 121.223 -0.082 0.000 2.079 100 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 100 L C 2.268 179.203 176.870 0.108 0.000 1.081 100 L CA 1.017 55.846 54.840 -0.018 0.000 0.752 100 L CB -0.302 41.645 42.059 -0.187 0.000 0.896 100 L HN 0.078 nan 8.230 nan 0.000 0.433 101 F N -0.977 118.932 119.950 -0.069 0.000 2.374 101 F HA 0.080 4.607 4.527 0.000 0.000 0.291 101 F C 1.787 177.223 175.800 -0.607 0.000 1.084 101 F CA -0.389 57.427 58.000 -0.306 0.000 1.413 101 F CB -1.029 37.786 39.000 -0.307 0.000 1.099 101 F HN -0.153 nan 8.300 nan 0.000 0.534 102 T N 2.058 116.431 114.554 -0.302 0.000 2.882 102 T HA -0.165 4.185 4.350 -0.000 0.000 0.330 102 T C 1.093 175.554 174.700 -0.399 0.000 1.075 102 T CA 0.739 62.594 62.100 -0.408 0.000 1.129 102 T CB 0.085 68.809 68.868 -0.239 0.000 1.071 102 T HN 0.467 nan 8.240 nan 0.000 0.531 103 N N 2.925 121.384 118.700 -0.401 0.000 2.235 103 N HA 0.062 4.802 4.740 -0.000 0.000 0.231 103 N C -0.152 175.250 175.510 -0.180 0.000 1.177 103 N CA -0.533 52.330 53.050 -0.312 0.000 0.874 103 N CB 0.305 38.602 38.487 -0.317 0.000 1.097 103 N HN 0.696 nan 8.380 nan 0.000 0.518 104 R N 0.469 120.881 120.500 -0.147 0.000 2.664 104 R HA 0.412 4.752 4.340 -0.000 0.000 0.286 104 R C 1.240 177.507 176.300 -0.054 0.000 0.967 104 R CA -0.926 55.127 56.100 -0.077 0.000 0.933 104 R CB 1.532 31.798 30.300 -0.057 0.000 1.146 104 R HN -0.139 nan 8.270 nan 0.000 0.468 105 K N 1.829 122.217 120.400 -0.020 0.000 2.013 105 K HA -0.290 4.030 4.320 -0.000 0.000 0.225 105 K C -0.150 176.449 176.600 -0.001 0.000 1.056 105 K CA 2.015 58.303 56.287 0.003 0.000 0.971 105 K CB -0.635 31.879 32.500 0.023 0.000 0.731 105 K HN 0.830 nan 8.250 nan 0.000 0.450 106 E N 1.837 122.033 120.200 -0.007 0.000 2.216 106 E HA 0.142 4.492 4.350 -0.000 0.000 0.279 106 E C -0.725 175.846 176.600 -0.048 0.000 0.997 106 E CA -0.903 55.487 56.400 -0.017 0.000 0.817 106 E CB 0.949 30.643 29.700 -0.009 0.000 1.096 106 E HN 0.271 nan 8.360 nan 0.000 0.393 107 N N 3.989 122.656 118.700 -0.056 0.000 2.520 107 N HA 0.045 4.785 4.740 -0.000 0.000 0.273 107 N C -0.600 174.841 175.510 -0.114 0.000 1.155 107 N CA -0.439 52.556 53.050 -0.092 0.000 0.967 107 N CB 0.551 38.992 38.487 -0.077 0.000 1.092 107 N HN 0.452 nan 8.380 nan 0.000 0.457 108 I N 4.480 124.941 120.570 -0.181 0.000 2.336 108 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 108 I C -1.933 174.068 176.117 -0.194 0.000 0.991 108 I CA -2.650 58.513 61.300 -0.229 0.000 1.227 108 I CB 0.562 38.283 38.000 -0.466 0.000 1.366 108 I HN 0.429 nan 8.210 nan 0.000 0.466 109 P HA 0.372 nan 4.420 nan 0.000 0.276 109 P C -0.962 176.278 177.300 -0.100 0.000 1.235 109 P CA -0.247 62.794 63.100 -0.098 0.000 0.772 109 P CB 1.411 33.071 31.700 -0.066 0.000 0.871 110 L N 2.121 123.293 121.223 -0.086 0.000 2.342 110 L HA 0.518 4.858 4.340 -0.000 0.000 0.271 110 L C 0.620 177.458 176.870 -0.054 0.000 1.008 110 L CA -1.216 53.583 54.840 -0.069 0.000 0.818 110 L CB 1.890 43.909 42.059 -0.067 0.000 1.296 110 L HN 0.278 nan 8.230 nan 0.000 0.427 111 K N 1.356 121.726 120.400 -0.050 0.000 2.098 111 K HA 0.569 4.889 4.320 -0.000 0.000 0.261 111 K C -0.997 175.564 176.600 -0.064 0.000 0.987 111 K CA -0.265 55.990 56.287 -0.053 0.000 0.916 111 K CB 1.012 33.480 32.500 -0.053 0.000 1.039 111 K HN 0.407 nan 8.250 nan 0.000 0.455 112 L N 1.997 123.176 121.223 -0.073 0.000 2.307 112 L HA 0.504 4.843 4.340 -0.000 0.000 0.282 112 L C -0.265 176.528 176.870 -0.128 0.000 1.051 112 L CA -0.462 54.317 54.840 -0.103 0.000 0.804 112 L CB 1.659 43.659 42.059 -0.099 0.000 1.197 112 L HN 0.610 nan 8.230 nan 0.000 0.431 113 S N 0.790 116.387 115.700 -0.172 0.000 2.558 113 S HA 0.170 4.640 4.470 -0.000 0.000 0.277 113 S C 0.254 174.697 174.600 -0.261 0.000 1.143 113 S CA -0.638 57.450 58.200 -0.186 0.000 0.865 113 S CB 1.430 64.563 63.200 -0.111 0.000 1.102 113 S HN 0.763 nan 8.310 nan 0.000 0.454 114 E N 1.128 121.142 120.200 -0.311 0.000 2.204 114 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 114 E C -0.140 176.329 176.600 -0.218 0.000 0.990 114 E CA 0.762 56.933 56.400 -0.382 0.000 0.821 114 E CB -0.011 29.489 29.700 -0.334 0.000 0.750 114 E HN 0.576 nan 8.360 nan 0.000 0.477 115 D N 0.371 120.696 120.400 -0.124 0.000 2.359 115 D HA -0.014 4.626 4.640 -0.000 0.000 0.250 115 D C 0.022 176.379 176.300 0.096 0.000 1.264 115 D CA -0.227 53.756 54.000 -0.028 0.000 0.911 115 D CB 0.170 40.992 40.800 0.035 0.000 1.056 115 D HN 0.159 nan 8.370 nan 0.000 0.499 116 c N 2.752 121.374 118.600 0.037 0.000 3.935 116 c HA 0.334 4.904 4.570 -0.000 0.000 0.301 116 c C 0.657 174.810 174.090 0.106 0.000 1.874 116 c CA -0.705 55.720 56.329 0.160 0.000 1.723 116 c CB -1.346 41.183 42.510 0.031 0.000 3.192 116 c HN 0.484 nan 8.230 nan 0.000 0.577 117 L N 2.454 123.519 121.223 -0.265 0.000 2.391 117 L HA 0.371 4.711 4.340 -0.000 0.000 0.249 117 L C -0.831 175.596 176.870 -0.738 0.000 1.308 117 L CA 0.568 55.104 54.840 -0.506 0.000 1.209 117 L CB -0.765 40.747 42.059 -0.911 0.000 1.401 117 L HN 0.396 nan 8.230 nan 0.000 0.416 118 Y N 1.287 121.614 120.300 0.044 0.000 2.576 118 Y HA 0.670 5.220 4.550 -0.000 0.000 0.346 118 Y C -0.098 175.905 175.900 0.172 0.000 1.018 118 Y CA -1.283 56.852 58.100 0.057 0.000 1.050 118 Y CB 1.905 40.349 38.460 -0.027 0.000 1.280 118 Y HN 0.129 nan 8.280 nan 0.000 0.474 119 L N -0.221 121.118 121.223 0.193 0.000 2.309 119 L HA 0.782 5.122 4.340 -0.000 0.000 0.261 119 L C -1.276 175.594 176.870 0.001 0.000 1.021 119 L CA -1.077 53.789 54.840 0.042 0.000 0.823 119 L CB 1.647 43.610 42.059 -0.160 0.000 1.366 119 L HN 0.390 nan 8.230 nan 0.000 0.423 120 N N 1.366 120.079 118.700 0.023 0.000 2.342 120 N HA 0.651 5.391 4.740 -0.000 0.000 0.293 120 N C -1.250 174.207 175.510 -0.089 0.000 1.026 120 N CA -0.182 52.849 53.050 -0.030 0.000 0.857 120 N CB 2.460 41.002 38.487 0.092 0.000 1.256 120 N HN 0.655 nan 8.380 nan 0.000 0.484 121 I N 2.094 122.539 120.570 -0.208 0.000 2.441 121 I HA 0.333 4.503 4.170 -0.000 0.000 0.295 121 I C -0.992 174.985 176.117 -0.234 0.000 0.994 121 I CA -0.761 60.446 61.300 -0.155 0.000 1.144 121 I CB 1.165 38.987 38.000 -0.297 0.000 1.314 121 I HN 0.360 nan 8.210 nan 0.000 0.445 122 Y N 3.308 123.709 120.300 0.168 0.000 2.363 122 Y HA 0.311 4.861 4.550 -0.000 0.000 0.325 122 Y C 0.230 176.229 175.900 0.166 0.000 0.984 122 Y CA -0.664 57.541 58.100 0.175 0.000 1.248 122 Y CB 2.054 40.590 38.460 0.127 0.000 1.116 122 Y HN 0.346 nan 8.280 nan 0.000 0.470 123 T N 4.902 119.652 114.554 0.328 0.000 2.786 123 T HA 0.337 4.687 4.350 -0.000 0.000 0.283 123 T C -2.195 172.626 174.700 0.202 0.000 0.992 123 T CA -2.367 59.888 62.100 0.258 0.000 0.954 123 T CB 1.306 70.353 68.868 0.299 0.000 0.934 123 T HN 0.375 nan 8.240 nan 0.000 0.440 124 P HA 0.277 nan 4.420 nan 0.000 0.255 124 P C 0.164 177.507 177.300 0.070 0.000 1.248 124 P CA -0.164 62.967 63.100 0.052 0.000 0.807 124 P CB 0.075 31.739 31.700 -0.060 0.000 1.150 125 A N 0.483 123.367 122.820 0.107 0.000 2.316 125 A HA 0.296 4.616 4.320 -0.000 0.000 0.284 125 A C 0.010 177.669 177.584 0.125 0.000 1.115 125 A CA -0.371 51.724 52.037 0.098 0.000 0.812 125 A CB -0.001 19.055 19.000 0.093 0.000 1.064 125 A HN -0.071 nan 8.150 nan 0.000 0.489 126 D N 1.543 122.004 120.400 0.101 0.000 2.371 126 D HA 0.137 4.777 4.640 -0.000 0.000 0.256 126 D C 0.836 177.202 176.300 0.110 0.000 1.193 126 D CA 0.130 54.198 54.000 0.114 0.000 0.881 126 D CB 0.580 41.426 40.800 0.077 0.000 1.143 126 D HN 0.422 nan 8.370 nan 0.000 0.473 127 L N 2.843 124.150 121.223 0.141 0.000 2.478 127 L HA -0.064 4.276 4.340 -0.000 0.000 0.223 127 L C 2.223 179.132 176.870 0.065 0.000 1.140 127 L CA 0.900 55.797 54.840 0.096 0.000 0.842 127 L CB -0.268 41.857 42.059 0.109 0.000 0.953 127 L HN 0.509 nan 8.230 nan 0.000 0.452 128 T N -3.709 110.892 114.554 0.078 0.000 3.113 128 T HA 0.065 4.415 4.350 -0.000 0.000 0.256 128 T C 0.689 175.411 174.700 0.037 0.000 1.131 128 T CA 0.111 62.245 62.100 0.056 0.000 1.074 128 T CB 0.050 68.957 68.868 0.064 0.000 0.944 128 T HN 0.143 nan 8.240 nan 0.000 0.516 129 K N 1.027 121.450 120.400 0.038 0.000 2.426 129 K HA 0.419 4.739 4.320 -0.000 0.000 0.251 129 K C -0.769 175.845 176.600 0.023 0.000 0.941 129 K CA -1.000 55.303 56.287 0.027 0.000 0.808 129 K CB 2.410 34.927 32.500 0.028 0.000 1.265 129 K HN 0.041 nan 8.250 nan 0.000 0.432 130 K N 2.279 122.687 120.400 0.014 0.000 2.524 130 K HA -0.040 4.280 4.320 -0.000 0.000 0.279 130 K C -0.755 175.856 176.600 0.018 0.000 0.993 130 K CA 0.729 57.022 56.287 0.010 0.000 1.030 130 K CB 0.274 32.776 32.500 0.004 0.000 0.891 130 K HN 0.533 nan 8.250 nan 0.000 0.488 131 N N 3.222 121.935 118.700 0.021 0.000 2.516 131 N HA 0.199 4.939 4.740 -0.000 0.000 0.268 131 N C -1.714 173.815 175.510 0.032 0.000 1.096 131 N CA -0.673 52.395 53.050 0.029 0.000 0.954 131 N CB 1.645 40.158 38.487 0.043 0.000 1.676 131 N HN 0.469 nan 8.380 nan 0.000 0.490 132 R N 1.851 122.367 120.500 0.026 0.000 2.639 132 R HA 0.461 4.801 4.340 -0.000 0.000 0.273 132 R C -0.664 175.651 176.300 0.025 0.000 1.732 132 R CA -0.233 55.883 56.100 0.026 0.000 1.586 132 R CB 0.695 31.001 30.300 0.010 0.000 1.263 132 R HN 0.392 nan 8.270 nan 0.000 0.615 133 L N 3.297 124.544 121.223 0.040 0.000 2.375 133 L HA 0.552 4.892 4.340 -0.000 0.000 0.271 133 L C -1.661 175.232 176.870 0.038 0.000 1.107 133 L CA -2.107 52.754 54.840 0.035 0.000 0.806 133 L CB 0.935 43.021 42.059 0.045 0.000 1.146 133 L HN 0.226 nan 8.230 nan 0.000 0.447 134 P HA 0.001 nan 4.420 nan 0.000 0.269 134 P C -0.902 176.432 177.300 0.057 0.000 1.217 134 P CA -0.078 63.040 63.100 0.029 0.000 0.783 134 P CB 0.896 32.599 31.700 0.005 0.000 0.898 135 V N 3.027 122.988 119.914 0.079 0.000 2.628 135 V HA 0.420 4.540 4.120 -0.000 0.000 0.306 135 V C 0.487 176.656 176.094 0.124 0.000 1.045 135 V CA -0.486 61.878 62.300 0.108 0.000 0.905 135 V CB 1.539 33.436 31.823 0.123 0.000 0.997 135 V HN 0.475 nan 8.190 nan 0.000 0.436 136 M N 4.213 123.912 119.600 0.165 0.000 2.022 136 M HA 0.420 4.900 4.480 -0.000 0.000 0.298 136 M C -1.100 175.456 176.300 0.427 0.000 0.909 136 M CA -0.491 54.964 55.300 0.258 0.000 0.914 136 M CB 1.765 34.455 32.600 0.150 0.000 1.486 136 M HN 0.378 nan 8.290 nan 0.000 0.415 137 V N 3.227 123.356 119.914 0.358 0.000 2.488 137 V HA 0.244 4.364 4.120 -0.000 0.000 0.277 137 V C -0.452 175.809 176.094 0.278 0.000 1.046 137 V CA -0.333 62.119 62.300 0.253 0.000 0.986 137 V CB 0.722 32.606 31.823 0.102 0.000 0.989 137 V HN 0.829 nan 8.190 nan 0.000 0.475 138 W N 6.952 128.206 121.300 -0.077 0.000 2.478 138 W HA 0.652 5.312 4.660 -0.000 0.000 0.318 138 W C -1.402 174.908 176.519 -0.348 0.000 1.062 138 W CA -1.067 56.010 57.345 -0.447 0.000 1.210 138 W CB 1.453 30.632 29.460 -0.468 0.000 1.325 138 W HN 0.435 nan 8.180 nan 0.000 0.496 139 I N 7.183 126.971 120.570 -1.303 0.000 2.355 139 I HA 0.136 4.306 4.170 -0.000 0.000 0.288 139 I C 1.074 176.308 176.117 -1.473 0.000 0.999 139 I CA -0.879 59.767 61.300 -1.088 0.000 1.163 139 I CB 1.111 38.691 38.000 -0.700 0.000 1.316 139 I HN 0.462 nan 8.210 nan 0.000 0.454 140 H N 4.208 122.817 119.070 -0.768 0.000 2.654 140 H HA 0.501 5.057 4.556 0.000 0.000 0.376 140 H C 0.136 175.395 175.328 -0.115 0.000 1.503 140 H CA -0.569 55.243 56.048 -0.393 0.000 1.464 140 H CB 0.988 30.831 29.762 0.135 0.000 1.565 140 H HN 0.622 nan 8.280 nan 0.000 0.614 141 G N -2.356 106.652 108.800 0.345 0.000 3.008 141 G HA2 0.460 4.420 3.960 -0.000 0.000 0.181 141 G HA3 0.460 4.420 3.960 -0.000 0.000 0.181 141 G C 0.194 175.268 174.900 0.289 0.000 1.309 141 G CA -0.799 44.479 45.100 0.297 0.000 1.009 141 G HN 1.259 nan 8.290 nan 0.000 0.584 142 G N -2.009 106.955 108.800 0.273 0.000 2.455 142 G HA2 0.374 4.334 3.960 -0.000 0.000 0.169 142 G HA3 0.374 4.334 3.960 -0.000 0.000 0.169 142 G C 1.147 176.132 174.900 0.141 0.000 1.074 142 G CA 0.640 45.857 45.100 0.197 0.000 0.796 142 G HN 2.294 nan 8.290 nan 0.000 0.489 143 G N -0.286 108.593 108.800 0.132 0.000 2.420 143 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.305 143 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.305 143 G C 1.252 176.148 174.900 -0.007 0.000 0.971 143 G CA 1.007 46.135 45.100 0.047 0.000 0.843 143 G HN 1.958 nan 8.290 nan 0.000 0.512 144 L N -3.877 117.387 121.223 0.069 0.000 4.696 144 L HA -0.267 4.073 4.340 -0.000 0.000 0.425 144 L C 1.959 178.914 176.870 0.141 0.000 1.115 144 L CA 1.491 56.381 54.840 0.084 0.000 0.996 144 L CB -1.452 40.375 42.059 -0.387 0.000 2.077 144 L HN 0.437 nan 8.230 nan 0.000 0.792 145 M N -1.075 118.585 119.600 0.100 0.000 2.571 145 M HA 0.316 4.796 4.480 -0.000 0.000 0.259 145 M C 0.735 177.107 176.300 0.121 0.000 1.205 145 M CA 1.107 56.477 55.300 0.117 0.000 1.138 145 M CB 0.649 33.301 32.600 0.086 0.000 1.329 145 M HN 0.251 nan 8.290 nan 0.000 0.503 146 V N -3.155 116.799 119.914 0.067 0.000 3.202 146 V HA 1.044 5.164 4.120 -0.000 0.000 0.306 146 V C -0.413 175.607 176.094 -0.124 0.000 1.283 146 V CA -0.266 62.035 62.300 0.002 0.000 1.065 146 V CB 1.388 33.222 31.823 0.018 0.000 1.079 146 V HN 0.446 nan 8.190 nan 0.000 0.448 147 G N -0.650 108.019 108.800 -0.219 0.000 2.351 147 G HA2 0.699 4.659 3.960 -0.000 0.000 0.353 147 G HA3 0.699 4.659 3.960 -0.000 0.000 0.353 147 G C -0.771 173.831 174.900 -0.497 0.000 1.358 147 G CA -0.089 44.698 45.100 -0.521 0.000 0.995 147 G HN 2.707 nan 8.290 nan 0.000 0.611 148 A N -1.416 121.178 122.820 -0.377 0.000 2.594 148 A HA 0.992 5.312 4.320 -0.000 0.000 0.296 148 A C 0.633 178.564 177.584 0.580 0.000 1.056 148 A CA 0.698 52.840 52.037 0.175 0.000 0.693 148 A CB 0.800 19.846 19.000 0.077 0.000 1.278 148 A HN 2.525 nan 8.150 nan 0.000 0.408 149 A N 0.505 123.637 122.820 0.521 0.000 1.898 149 A HA 0.151 4.471 4.320 -0.000 0.000 0.214 149 A C 1.876 179.734 177.584 0.457 0.000 1.183 149 A CA 2.167 54.503 52.037 0.498 0.000 0.622 149 A CB -0.735 18.468 19.000 0.338 0.000 0.824 149 A HN 1.379 nan 8.150 nan 0.000 0.444 150 S N -0.276 115.630 115.700 0.343 0.000 2.537 150 S HA -0.098 4.372 4.470 -0.000 0.000 0.240 150 S C 1.668 176.332 174.600 0.107 0.000 0.981 150 S CA 1.387 59.773 58.200 0.310 0.000 0.948 150 S CB -0.438 62.906 63.200 0.239 0.000 0.759 150 S HN 0.632 nan 8.310 nan 0.000 0.531 151 T N 0.681 115.297 114.554 0.103 0.000 2.942 151 T HA 0.069 4.418 4.350 -0.000 0.000 0.265 151 T C -0.263 174.234 174.700 -0.338 0.000 1.062 151 T CA 0.726 62.726 62.100 -0.166 0.000 1.139 151 T CB -0.109 68.602 68.868 -0.262 0.000 0.883 151 T HN 0.375 nan 8.240 nan 0.000 0.468 152 Y N 1.903 122.148 120.300 -0.092 0.000 2.335 152 Y HA 0.471 5.021 4.550 -0.000 0.000 0.339 152 Y C 0.011 175.855 175.900 -0.094 0.000 0.987 152 Y CA -2.121 55.779 58.100 -0.334 0.000 1.140 152 Y CB 0.581 38.629 38.460 -0.688 0.000 1.173 152 Y HN -0.079 nan 8.280 nan 0.000 0.486 153 D N 2.009 122.393 120.400 -0.027 0.000 2.233 153 D HA 0.243 4.883 4.640 -0.000 0.000 0.240 153 D C 0.866 177.037 176.300 -0.215 0.000 1.074 153 D CA -0.281 53.650 54.000 -0.116 0.000 0.838 153 D CB 1.845 42.603 40.800 -0.069 0.000 1.124 153 D HN 0.828 nan 8.370 nan 0.000 0.475 154 G N 3.134 111.465 108.800 -0.782 0.000 2.880 154 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.209 154 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.209 154 G C 1.386 176.026 174.900 -0.433 0.000 1.157 154 G CA -0.054 44.757 45.100 -0.482 0.000 0.779 154 G HN 0.478 nan 8.290 nan 0.000 0.539 155 L N 1.832 122.727 121.223 -0.548 0.000 1.997 155 L HA -0.213 4.127 4.340 -0.000 0.000 0.227 155 L C 3.034 179.824 176.870 -0.133 0.000 1.087 155 L CA 2.614 57.334 54.840 -0.201 0.000 0.797 155 L CB -0.920 41.089 42.059 -0.082 0.000 0.902 155 L HN 0.259 nan 8.230 nan 0.000 0.441 156 A N -0.916 121.868 122.820 -0.060 0.000 1.849 156 A HA -0.295 4.025 4.320 -0.000 0.000 0.216 156 A C 2.206 179.768 177.584 -0.038 0.000 1.225 156 A CA 2.379 54.425 52.037 0.015 0.000 0.653 156 A CB -1.499 17.594 19.000 0.155 0.000 0.844 156 A HN 0.574 nan 8.150 nan 0.000 0.453 157 L N -0.226 120.959 121.223 -0.063 0.000 2.054 157 L HA -0.268 4.072 4.340 -0.000 0.000 0.220 157 L C 2.614 179.418 176.870 -0.111 0.000 1.081 157 L CA 2.847 57.615 54.840 -0.119 0.000 0.780 157 L CB -1.232 40.684 42.059 -0.238 0.000 0.893 157 L HN 0.482 nan 8.230 nan 0.000 0.438 158 A N -0.745 122.004 122.820 -0.118 0.000 1.858 158 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 158 A C 2.458 179.920 177.584 -0.202 0.000 1.190 158 A CA 2.492 54.475 52.037 -0.091 0.000 0.617 158 A CB -1.353 17.643 19.000 -0.005 0.000 0.827 158 A HN 0.662 nan 8.150 nan 0.000 0.443 159 A N -1.245 121.351 122.820 -0.374 0.000 1.845 159 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 159 A C 2.094 179.139 177.584 -0.899 0.000 1.195 159 A CA 1.686 53.225 52.037 -0.829 0.000 0.616 159 A CB -1.112 17.139 19.000 -1.249 0.000 0.832 159 A HN 0.649 nan 8.150 nan 0.000 0.443 160 H N -0.189 118.547 119.070 -0.558 0.000 2.321 160 H HA -0.106 4.450 4.556 -0.000 0.000 0.295 160 H C 1.409 176.667 175.328 -0.115 0.000 1.102 160 H CA 1.860 57.785 56.048 -0.205 0.000 1.266 160 H CB 0.032 29.655 29.762 -0.231 0.000 1.363 160 H HN 0.443 nan 8.280 nan 0.000 0.492 161 E N 0.120 120.312 120.200 -0.013 0.000 2.474 161 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 161 E C 0.093 176.678 176.600 -0.024 0.000 1.039 161 E CA -0.219 56.175 56.400 -0.009 0.000 0.881 161 E CB -0.279 29.411 29.700 -0.017 0.000 0.970 161 E HN 0.452 nan 8.360 nan 0.000 0.486 162 N N 0.471 119.132 118.700 -0.064 0.000 2.708 162 N HA -0.175 4.565 4.740 -0.000 0.000 0.255 162 N C -0.733 174.770 175.510 -0.011 0.000 1.046 162 N CA 0.362 53.386 53.050 -0.045 0.000 0.715 162 N CB -0.822 37.657 38.487 -0.014 0.000 0.895 162 N HN 0.038 nan 8.380 nan 0.000 0.545 163 V N -2.531 117.379 119.914 -0.007 0.000 3.007 163 V HA 0.706 4.826 4.120 -0.000 0.000 0.311 163 V C 0.344 176.475 176.094 0.060 0.000 1.120 163 V CA -0.918 61.397 62.300 0.024 0.000 0.980 163 V CB 2.085 33.916 31.823 0.013 0.000 1.033 163 V HN -0.096 nan 8.190 nan 0.000 0.429 164 V N 3.522 123.492 119.914 0.092 0.000 2.427 164 V HA 0.341 4.460 4.120 -0.000 0.000 0.268 164 V C 0.234 176.422 176.094 0.157 0.000 1.046 164 V CA -0.139 62.243 62.300 0.137 0.000 0.970 164 V CB 1.073 32.979 31.823 0.139 0.000 1.001 164 V HN 0.728 nan 8.190 nan 0.000 0.476 165 V N 6.301 126.339 119.914 0.207 0.000 2.394 165 V HA 0.454 4.574 4.120 -0.000 0.000 0.282 165 V C -0.040 176.241 176.094 0.312 0.000 1.031 165 V CA -0.445 62.004 62.300 0.250 0.000 0.881 165 V CB 1.743 33.691 31.823 0.208 0.000 0.982 165 V HN 0.579 nan 8.190 nan 0.000 0.451 166 V N 4.195 124.277 119.914 0.279 0.000 2.483 166 V HA 0.506 4.626 4.120 -0.000 0.000 0.297 166 V C 0.087 176.330 176.094 0.249 0.000 1.027 166 V CA -0.462 61.965 62.300 0.212 0.000 0.855 166 V CB 2.342 34.235 31.823 0.117 0.000 0.995 166 V HN 1.010 nan 8.190 nan 0.000 0.424 167 T N 3.240 117.952 114.554 0.263 0.000 2.772 167 T HA 0.795 5.145 4.350 -0.000 0.000 0.288 167 T C -0.510 174.278 174.700 0.147 0.000 0.994 167 T CA -0.527 61.749 62.100 0.294 0.000 0.951 167 T CB 0.955 70.077 68.868 0.423 0.000 0.933 167 T HN 0.437 nan 8.240 nan 0.000 0.447 168 I N 0.655 121.243 120.570 0.030 0.000 3.062 168 I HA 0.688 4.858 4.170 -0.000 0.000 0.316 168 I C -0.110 176.015 176.117 0.013 0.000 1.041 168 I CA -1.169 60.104 61.300 -0.045 0.000 1.069 168 I CB 0.961 38.809 38.000 -0.253 0.000 1.300 168 I HN 0.599 nan 8.210 nan 0.000 0.518 169 Q N 0.718 120.591 119.800 0.123 0.000 2.413 169 Q HA 0.617 4.957 4.340 -0.000 0.000 0.276 169 Q C -1.856 174.310 176.000 0.278 0.000 1.099 169 Q CA -0.829 55.066 55.803 0.153 0.000 0.814 169 Q CB 2.853 31.721 28.738 0.218 0.000 1.379 169 Q HN 0.737 nan 8.270 nan 0.000 0.436 170 Y N -2.301 118.070 120.300 0.119 0.000 2.588 170 Y HA 0.575 5.125 4.550 -0.000 0.000 0.343 170 Y C -0.695 175.288 175.900 0.139 0.000 1.065 170 Y CA -1.473 56.710 58.100 0.138 0.000 1.038 170 Y CB 0.893 39.393 38.460 0.067 0.000 1.297 170 Y HN 0.424 nan 8.280 nan 0.000 0.467 171 R N 1.908 122.509 120.500 0.169 0.000 2.583 171 R HA 0.294 4.634 4.340 -0.000 0.000 0.274 171 R C -0.911 175.435 176.300 0.077 0.000 0.998 171 R CA 0.412 56.556 56.100 0.072 0.000 1.081 171 R CB 0.148 30.495 30.300 0.078 0.000 0.940 171 R HN 0.713 nan 8.270 nan 0.000 0.413 172 L N 1.518 122.828 121.223 0.144 0.000 2.301 172 L HA 0.528 4.868 4.340 -0.000 0.000 0.264 172 L C 1.138 178.271 176.870 0.438 0.000 1.016 172 L CA -0.663 54.358 54.840 0.301 0.000 0.821 172 L CB 1.618 43.773 42.059 0.160 0.000 1.346 172 L HN 0.903 nan 8.230 nan 0.000 0.429 173 G N 0.571 109.652 108.800 0.468 0.000 2.582 173 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.300 173 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.300 173 G C 0.820 175.952 174.900 0.388 0.000 1.300 173 G CA 0.556 45.884 45.100 0.380 0.000 0.959 173 G HN 0.699 nan 8.290 nan 0.000 0.548 174 I N -0.978 119.741 120.570 0.248 0.000 2.143 174 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 174 I C 2.705 178.991 176.117 0.281 0.000 1.068 174 I CA 2.619 64.021 61.300 0.170 0.000 1.326 174 I CB -0.366 37.515 38.000 -0.198 0.000 1.028 174 I HN 0.554 nan 8.210 nan 0.000 0.412 175 W N 0.755 122.223 121.300 0.281 0.000 2.364 175 W HA -0.076 4.584 4.660 -0.000 0.000 0.281 175 W C 2.252 178.843 176.519 0.121 0.000 1.219 175 W CA 1.349 58.774 57.345 0.133 0.000 1.220 175 W CB -0.728 28.734 29.460 0.002 0.000 1.127 175 W HN 0.285 nan 8.180 nan 0.000 0.556 176 G N -2.781 106.182 108.800 0.271 0.000 2.944 176 G HA2 0.106 4.066 3.960 -0.000 0.000 0.223 176 G HA3 0.106 4.066 3.960 -0.000 0.000 0.223 176 G C 0.459 174.970 174.900 -0.649 0.000 1.071 176 G CA -0.017 44.972 45.100 -0.184 0.000 0.806 176 G HN 0.093 nan 8.290 nan 0.000 0.538 177 F N -0.562 119.637 119.950 0.415 0.000 2.859 177 F HA 0.418 4.945 4.527 -0.000 0.000 0.324 177 F C 0.013 175.907 175.800 0.157 0.000 1.158 177 F CA -1.678 56.424 58.000 0.170 0.000 1.147 177 F CB 0.247 39.265 39.000 0.029 0.000 1.137 177 F HN -0.006 nan 8.300 nan 0.000 0.516 178 F N 2.473 122.640 119.950 0.362 0.000 2.519 178 F HA 0.362 4.889 4.527 -0.000 0.000 0.375 178 F C 0.525 176.436 175.800 0.185 0.000 1.084 178 F CA -0.040 58.078 58.000 0.197 0.000 1.147 178 F CB 0.324 39.342 39.000 0.030 0.000 1.088 178 F HN -0.050 nan 8.300 nan 0.000 0.555 179 S N 3.663 118.998 115.700 -0.608 0.000 2.500 179 S HA 0.361 4.831 4.470 -0.000 0.000 0.301 179 S C 0.666 174.935 174.600 -0.552 0.000 1.092 179 S CA -0.040 57.914 58.200 -0.409 0.000 1.030 179 S CB 1.431 64.476 63.200 -0.258 0.000 1.031 179 S HN 0.778 nan 8.310 nan 0.000 0.483 180 T N 0.904 115.301 114.554 -0.261 0.000 3.057 180 T HA 0.386 4.736 4.350 -0.000 0.000 0.254 180 T C 1.454 176.106 174.700 -0.080 0.000 1.094 180 T CA 0.665 62.680 62.100 -0.141 0.000 1.088 180 T CB -0.104 68.806 68.868 0.070 0.000 0.934 180 T HN 1.749 nan 8.240 nan 0.000 0.497 181 G N 1.934 110.682 108.800 -0.087 0.000 2.179 181 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.220 181 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.220 181 G C -0.311 174.562 174.900 -0.045 0.000 0.990 181 G CA 0.165 45.224 45.100 -0.068 0.000 0.646 181 G HN 0.863 nan 8.290 nan 0.000 0.517 182 D N -1.175 119.209 120.400 -0.028 0.000 2.958 182 D HA 0.459 5.099 4.640 -0.000 0.000 0.306 182 D C 1.251 177.496 176.300 -0.091 0.000 1.226 182 D CA 0.017 53.977 54.000 -0.067 0.000 1.032 182 D CB -0.397 40.357 40.800 -0.076 0.000 1.400 182 D HN 0.078 nan 8.370 nan 0.000 0.587 183 E N -0.242 119.830 120.200 -0.213 0.000 2.478 183 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 183 E C 0.541 177.068 176.600 -0.122 0.000 1.046 183 E CA 0.932 57.230 56.400 -0.170 0.000 0.870 183 E CB -0.499 29.090 29.700 -0.184 0.000 0.818 183 E HN 0.475 nan 8.360 nan 0.000 0.527 184 H N 0.446 119.591 119.070 0.124 0.000 2.548 184 H HA 0.195 4.751 4.556 -0.000 0.000 0.268 184 H C 0.330 175.797 175.328 0.231 0.000 0.975 184 H CA 0.825 56.963 56.048 0.149 0.000 1.195 184 H CB 0.585 30.416 29.762 0.116 0.000 1.397 184 H HN 0.123 nan 8.280 nan 0.000 0.572 185 S N -0.059 115.853 115.700 0.353 0.000 2.856 185 S HA 0.132 4.602 4.470 -0.000 0.000 0.140 185 S C 0.940 175.734 174.600 0.322 0.000 0.931 185 S CA -0.554 57.977 58.200 0.552 0.000 0.993 185 S CB -0.050 63.446 63.200 0.492 0.000 1.688 185 S HN 0.165 nan 8.310 nan 0.000 0.529 186 R N 1.241 121.831 120.500 0.150 0.000 2.133 186 R HA 0.050 4.390 4.340 -0.000 0.000 0.245 186 R C 1.503 177.588 176.300 -0.359 0.000 1.137 186 R CA 1.810 57.832 56.100 -0.131 0.000 0.947 186 R CB -0.374 29.828 30.300 -0.162 0.000 0.865 186 R HN 0.863 nan 8.270 nan 0.000 0.437 187 G N -1.291 106.944 108.800 -0.942 0.000 2.306 187 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.262 187 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.262 187 G C -0.701 173.426 174.900 -1.288 0.000 1.263 187 G CA -0.290 44.131 45.100 -1.131 0.000 1.088 187 G HN 0.219 nan 8.290 nan 0.000 0.489 188 N N -0.702 117.679 118.700 -0.531 0.000 2.681 188 N HA -0.221 4.519 4.740 -0.000 0.000 0.250 188 N C 1.264 176.647 175.510 -0.211 0.000 1.133 188 N CA 1.983 54.948 53.050 -0.142 0.000 0.732 188 N CB -1.511 36.973 38.487 -0.006 0.000 1.107 188 N HN 0.689 nan 8.380 nan 0.000 0.559 189 W N 0.564 121.832 121.300 -0.054 0.000 2.305 189 W HA -0.213 4.447 4.660 -0.000 0.000 0.308 189 W C 2.499 178.928 176.519 -0.150 0.000 1.226 189 W CA 0.918 58.218 57.345 -0.075 0.000 1.253 189 W CB -0.743 28.678 29.460 -0.065 0.000 1.146 189 W HN 0.303 nan 8.180 nan 0.000 0.507 190 G N -0.166 108.444 108.800 -0.318 0.000 2.453 190 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 190 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 190 G C 1.174 176.099 174.900 0.041 0.000 1.201 190 G CA 1.440 46.438 45.100 -0.170 0.000 0.784 190 G HN 0.275 nan 8.290 nan 0.000 0.545 191 H N 0.490 119.641 119.070 0.136 0.000 2.390 191 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 191 H C 2.731 178.074 175.328 0.024 0.000 1.106 191 H CA 1.068 57.131 56.048 0.026 0.000 1.297 191 H CB -0.402 29.387 29.762 0.044 0.000 1.375 191 H HN 0.257 nan 8.280 nan 0.000 0.509 192 L N 0.413 121.753 121.223 0.194 0.000 2.083 192 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 192 L C 2.117 179.099 176.870 0.187 0.000 1.083 192 L CA 1.099 56.047 54.840 0.178 0.000 0.752 192 L CB -0.237 41.956 42.059 0.223 0.000 0.899 192 L HN 0.153 nan 8.230 nan 0.000 0.433 193 D N -0.380 120.149 120.400 0.215 0.000 2.178 193 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 193 D C 2.236 178.640 176.300 0.174 0.000 0.980 193 D CA 1.011 55.190 54.000 0.298 0.000 0.842 193 D CB -0.040 40.981 40.800 0.369 0.000 0.948 193 D HN 0.475 nan 8.370 nan 0.000 0.472 194 Q N 0.391 120.223 119.800 0.054 0.000 2.020 194 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 194 Q C 2.485 178.442 176.000 -0.071 0.000 0.982 194 Q CA 0.791 56.535 55.803 -0.098 0.000 0.838 194 Q CB -0.190 28.445 28.738 -0.172 0.000 0.899 194 Q HN 0.082 nan 8.270 nan 0.000 0.423 195 V N 1.280 121.198 119.914 0.007 0.000 2.324 195 V HA -0.347 3.773 4.120 -0.000 0.000 0.250 195 V C 2.311 178.446 176.094 0.068 0.000 1.060 195 V CA 1.957 64.279 62.300 0.037 0.000 1.042 195 V CB -0.991 30.875 31.823 0.073 0.000 0.650 195 V HN 0.471 nan 8.190 nan 0.000 0.450 196 A N -0.272 122.623 122.820 0.126 0.000 1.892 196 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 196 A C 2.431 180.112 177.584 0.162 0.000 1.188 196 A CA 2.465 54.639 52.037 0.229 0.000 0.631 196 A CB -0.910 18.332 19.000 0.403 0.000 0.822 196 A HN 0.655 nan 8.150 nan 0.000 0.447 197 A N -0.411 122.271 122.820 -0.230 0.000 1.933 197 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 197 A C 2.189 179.713 177.584 -0.100 0.000 1.175 197 A CA 1.541 53.212 52.037 -0.611 0.000 0.628 197 A CB -0.588 17.847 19.000 -0.942 0.000 0.814 197 A HN 0.499 nan 8.150 nan 0.000 0.444 198 L N -1.118 120.082 121.223 -0.039 0.000 2.017 198 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 198 L C 2.851 179.792 176.870 0.119 0.000 1.073 198 L CA 1.404 56.272 54.840 0.047 0.000 0.745 198 L CB -0.588 41.497 42.059 0.044 0.000 0.894 198 L HN 0.358 nan 8.230 nan 0.000 0.432 199 R N -0.897 119.685 120.500 0.136 0.000 2.127 199 R HA -0.237 4.103 4.340 -0.000 0.000 0.238 199 R C 2.035 178.444 176.300 0.182 0.000 1.134 199 R CA 1.929 58.114 56.100 0.142 0.000 0.975 199 R CB -0.528 29.862 30.300 0.150 0.000 0.865 199 R HN 0.454 nan 8.270 nan 0.000 0.447 200 W N 1.038 122.385 121.300 0.079 0.000 2.353 200 W HA -0.209 4.451 4.660 0.000 0.000 0.319 200 W C 2.017 178.573 176.519 0.060 0.000 1.207 200 W CA 1.301 58.712 57.345 0.111 0.000 1.291 200 W CB -0.368 29.190 29.460 0.163 0.000 1.159 200 W HN -0.257 nan 8.180 nan 0.000 0.478 201 V N 1.205 121.380 119.914 0.435 0.000 2.453 201 V HA -0.372 3.748 4.120 -0.000 0.000 0.252 201 V C 2.419 178.548 176.094 0.059 0.000 1.068 201 V CA 2.034 64.493 62.300 0.265 0.000 1.070 201 V CB -1.032 30.921 31.823 0.217 0.000 0.664 201 V HN 0.308 nan 8.190 nan 0.000 0.461 202 Q N -0.108 119.718 119.800 0.043 0.000 2.119 202 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 202 Q C 1.378 177.337 176.000 -0.068 0.000 0.972 202 Q CA 1.371 57.179 55.803 0.008 0.000 0.847 202 Q CB -0.201 28.552 28.738 0.026 0.000 0.903 202 Q HN 0.724 nan 8.270 nan 0.000 0.433 203 D N -0.871 119.433 120.400 -0.160 0.000 2.402 203 D HA 0.121 4.761 4.640 -0.000 0.000 0.216 203 D C 0.621 176.706 176.300 -0.358 0.000 1.128 203 D CA -0.006 53.858 54.000 -0.225 0.000 0.833 203 D CB 0.411 41.072 40.800 -0.232 0.000 0.971 203 D HN 0.157 nan 8.370 nan 0.000 0.503 204 N N 0.078 118.525 118.700 -0.422 0.000 2.268 204 N HA -0.006 4.734 4.740 -0.000 0.000 0.256 204 N C 1.538 176.953 175.510 -0.157 0.000 1.090 204 N CA -0.249 52.487 53.050 -0.524 0.000 0.806 204 N CB 0.719 38.294 38.487 -1.520 0.000 1.644 204 N HN -0.056 nan 8.380 nan 0.000 0.544 205 I N 2.815 123.344 120.570 -0.068 0.000 2.597 205 I HA -0.191 3.979 4.170 -0.000 0.000 0.262 205 I C 1.928 178.137 176.117 0.153 0.000 1.194 205 I CA 0.808 62.175 61.300 0.112 0.000 1.437 205 I CB -0.247 37.817 38.000 0.108 0.000 1.096 205 I HN 0.165 nan 8.210 nan 0.000 0.451 206 A N -1.389 121.471 122.820 0.066 0.000 2.015 206 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 206 A C 2.399 180.013 177.584 0.050 0.000 1.163 206 A CA 1.662 53.727 52.037 0.046 0.000 0.646 206 A CB -0.715 18.281 19.000 -0.007 0.000 0.806 206 A HN 0.413 nan 8.150 nan 0.000 0.448 207 S N -1.381 114.353 115.700 0.056 0.000 2.607 207 S HA 0.137 4.607 4.470 -0.000 0.000 0.224 207 S C 0.507 174.978 174.600 -0.215 0.000 0.969 207 S CA 0.334 58.485 58.200 -0.082 0.000 0.927 207 S CB -0.358 62.741 63.200 -0.168 0.000 0.772 207 S HN 0.553 nan 8.310 nan 0.000 0.533 208 F N 0.361 120.280 119.950 -0.052 0.000 2.653 208 F HA 0.358 4.885 4.527 -0.000 0.000 0.304 208 F C 1.651 177.461 175.800 0.017 0.000 1.092 208 F CA 0.003 57.974 58.000 -0.048 0.000 1.279 208 F CB 0.367 39.322 39.000 -0.075 0.000 1.044 208 F HN 0.199 nan 8.300 nan 0.000 0.564 209 G N 0.272 109.160 108.800 0.147 0.000 2.141 209 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.231 209 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.231 209 G C 0.514 175.478 174.900 0.106 0.000 0.984 209 G CA -0.264 44.900 45.100 0.107 0.000 0.660 209 G HN 0.717 nan 8.290 nan 0.000 0.525 210 G N -0.443 108.434 108.800 0.127 0.000 2.367 210 G HA2 0.492 4.452 3.960 -0.000 0.000 0.314 210 G HA3 0.492 4.452 3.960 -0.000 0.000 0.314 210 G C -0.189 174.754 174.900 0.072 0.000 1.130 210 G CA -0.260 44.902 45.100 0.103 0.000 0.864 210 G HN 0.336 nan 8.290 nan 0.000 0.486 211 N N 2.685 121.416 118.700 0.053 0.000 2.402 211 N HA 0.152 4.892 4.740 -0.000 0.000 0.252 211 N C -1.070 174.467 175.510 0.044 0.000 1.118 211 N CA -2.112 50.955 53.050 0.029 0.000 0.945 211 N CB 1.751 40.240 38.487 0.004 0.000 1.147 211 N HN 0.161 nan 8.380 nan 0.000 0.495 212 P HA -0.046 nan 4.420 nan 0.000 0.229 212 P C 0.620 177.986 177.300 0.110 0.000 1.150 212 P CA 0.752 63.892 63.100 0.067 0.000 0.765 212 P CB 0.121 31.840 31.700 0.031 0.000 0.783 213 G N -1.094 107.719 108.800 0.022 0.000 3.605 213 G HA2 0.149 4.109 3.960 -0.000 0.000 0.277 213 G HA3 0.149 4.109 3.960 -0.000 0.000 0.277 213 G C 0.415 175.064 174.900 -0.418 0.000 1.093 213 G CA 0.033 45.052 45.100 -0.134 0.000 0.821 213 G HN 0.271 nan 8.290 nan 0.000 0.532 214 S N 0.165 115.851 115.700 -0.023 0.000 2.825 214 S HA 0.291 4.761 4.470 -0.000 0.000 0.242 214 S C -0.147 174.589 174.600 0.226 0.000 0.980 214 S CA -0.255 57.972 58.200 0.045 0.000 1.107 214 S CB 0.079 63.260 63.200 -0.031 0.000 1.172 214 S HN -0.027 nan 8.310 nan 0.000 0.483 215 V N 2.737 122.906 119.914 0.425 0.000 2.488 215 V HA 0.417 4.537 4.120 -0.000 0.000 0.277 215 V C 0.265 176.474 176.094 0.192 0.000 1.046 215 V CA 0.078 62.515 62.300 0.229 0.000 0.986 215 V CB 1.249 33.172 31.823 0.167 0.000 0.989 215 V HN 0.527 nan 8.190 nan 0.000 0.475 216 T N 6.434 121.080 114.554 0.153 0.000 2.833 216 T HA 0.543 4.893 4.350 -0.000 0.000 0.297 216 T C -0.138 174.678 174.700 0.193 0.000 1.015 216 T CA -0.229 61.955 62.100 0.140 0.000 0.963 216 T CB 0.803 69.707 68.868 0.060 0.000 0.955 216 T HN 0.631 nan 8.240 nan 0.000 0.449 217 I N 1.334 121.990 120.570 0.143 0.000 2.499 217 I HA 0.905 5.075 4.170 -0.000 0.000 0.296 217 I C -0.929 175.375 176.117 0.313 0.000 0.992 217 I CA -0.946 60.439 61.300 0.142 0.000 1.297 217 I CB 1.069 38.956 38.000 -0.188 0.000 1.410 217 I HN 0.552 nan 8.210 nan 0.000 0.507 218 F N 2.564 122.520 119.950 0.010 0.000 2.650 218 F HA 0.931 5.458 4.527 -0.000 0.000 0.310 218 F C -0.580 175.179 175.800 -0.070 0.000 1.112 218 F CA -0.848 57.192 58.000 0.068 0.000 0.986 218 F CB 0.964 40.105 39.000 0.236 0.000 1.285 218 F HN 0.845 nan 8.300 nan 0.000 0.440 219 G N 0.872 109.539 108.800 -0.222 0.000 2.687 219 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 219 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 219 G C -2.344 172.366 174.900 -0.316 0.000 1.420 219 G CA -0.772 43.838 45.100 -0.817 0.000 0.796 219 G HN 0.837 nan 8.290 nan 0.000 0.485 220 E N -0.209 119.779 120.200 -0.354 0.000 2.340 220 E HA 0.581 4.931 4.350 -0.000 0.000 0.273 220 E C 0.508 177.126 176.600 0.030 0.000 0.891 220 E CA 0.092 56.487 56.400 -0.008 0.000 0.757 220 E CB 2.338 32.123 29.700 0.142 0.000 1.231 220 E HN 0.723 nan 8.360 nan 0.000 0.439 221 S N 2.123 117.923 115.700 0.167 0.000 4.050 221 S HA -0.405 4.065 4.470 -0.000 0.000 0.602 221 S C 1.512 176.215 174.600 0.172 0.000 2.030 221 S CA 2.242 60.637 58.200 0.325 0.000 4.208 221 S CB -1.447 62.040 63.200 0.478 0.000 0.290 221 S HN 0.963 nan 8.310 nan 0.000 0.615 222 A N 0.671 123.589 122.820 0.164 0.000 1.997 222 A HA -0.002 4.318 4.320 -0.000 0.000 0.221 222 A C 2.422 180.022 177.584 0.027 0.000 1.172 222 A CA 2.705 54.792 52.037 0.084 0.000 0.645 222 A CB -1.584 17.485 19.000 0.116 0.000 0.813 222 A HN 1.575 nan 8.150 nan 0.000 0.454 223 G N -1.046 107.747 108.800 -0.012 0.000 2.430 223 G HA2 0.135 4.095 3.960 -0.000 0.000 0.216 223 G HA3 0.135 4.095 3.960 -0.000 0.000 0.216 223 G C 1.435 176.218 174.900 -0.196 0.000 1.146 223 G CA 1.035 46.023 45.100 -0.187 0.000 0.793 223 G HN 0.708 nan 8.290 nan 0.000 0.537 224 G N 0.170 108.915 108.800 -0.091 0.000 2.471 224 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 224 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 224 G C 1.508 176.396 174.900 -0.021 0.000 1.125 224 G CA 1.006 46.089 45.100 -0.027 0.000 0.775 224 G HN 0.433 nan 8.290 nan 0.000 0.548 225 E N 0.898 121.081 120.200 -0.029 0.000 2.076 225 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 225 E C 2.637 179.188 176.600 -0.081 0.000 0.979 225 E CA 0.946 57.320 56.400 -0.044 0.000 0.807 225 E CB -0.107 29.569 29.700 -0.040 0.000 0.761 225 E HN 0.351 nan 8.360 nan 0.000 0.454 226 S N 0.660 116.315 115.700 -0.075 0.000 2.353 226 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 226 S C 2.229 176.703 174.600 -0.209 0.000 1.035 226 S CA 1.503 59.645 58.200 -0.095 0.000 1.025 226 S CB -0.558 62.539 63.200 -0.172 0.000 0.902 226 S HN 0.131 nan 8.310 nan 0.000 0.440 227 V N 1.624 121.408 119.914 -0.216 0.000 2.250 227 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 227 V C 2.630 178.579 176.094 -0.242 0.000 1.060 227 V CA 2.179 64.327 62.300 -0.253 0.000 1.030 227 V CB -1.127 30.601 31.823 -0.159 0.000 0.643 227 V HN 0.568 nan 8.190 nan 0.000 0.445 228 S N -0.558 115.068 115.700 -0.123 0.000 2.374 228 S HA -0.192 4.278 4.470 -0.000 0.000 0.227 228 S C 1.940 176.444 174.600 -0.159 0.000 1.037 228 S CA 1.927 60.075 58.200 -0.086 0.000 1.024 228 S CB -0.289 62.927 63.200 0.028 0.000 0.861 228 S HN 0.352 nan 8.310 nan 0.000 0.456 229 V N 2.068 121.856 119.914 -0.209 0.000 2.407 229 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 229 V C 2.261 178.223 176.094 -0.221 0.000 1.055 229 V CA 1.648 63.787 62.300 -0.268 0.000 1.049 229 V CB -0.682 30.832 31.823 -0.515 0.000 0.662 229 V HN 0.497 nan 8.190 nan 0.000 0.455 230 L N -0.330 120.748 121.223 -0.242 0.000 2.275 230 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 230 L C 2.234 179.104 176.870 0.000 0.000 1.119 230 L CA 0.731 55.460 54.840 -0.185 0.000 0.790 230 L CB -0.552 41.277 42.059 -0.382 0.000 0.919 230 L HN 0.243 nan 8.230 nan 0.000 0.443 231 V N -0.498 119.389 119.914 -0.045 0.000 2.788 231 V HA -0.134 3.986 4.120 -0.000 0.000 0.251 231 V C 2.029 178.217 176.094 0.158 0.000 1.068 231 V CA 1.028 63.416 62.300 0.146 0.000 1.090 231 V CB -0.054 31.682 31.823 -0.143 0.000 0.710 231 V HN 0.369 nan 8.190 nan 0.000 0.467 232 L N -0.626 120.602 121.223 0.009 0.000 2.529 232 L HA 0.190 4.530 4.340 -0.000 0.000 0.223 232 L C 1.231 178.055 176.870 -0.076 0.000 1.113 232 L CA 0.264 55.059 54.840 -0.075 0.000 0.861 232 L CB 0.186 42.177 42.059 -0.114 0.000 1.012 232 L HN 0.224 nan 8.230 nan 0.000 0.461 233 S N -0.053 115.652 115.700 0.009 0.000 2.513 233 S HA 0.254 4.724 4.470 -0.000 0.000 0.276 233 S C -1.643 173.043 174.600 0.144 0.000 1.254 233 S CA -1.352 56.863 58.200 0.026 0.000 1.053 233 S CB 1.296 64.493 63.200 -0.004 0.000 0.958 233 S HN -0.115 nan 8.310 nan 0.000 0.491 234 P HA 0.009 nan 4.420 nan 0.000 0.221 234 P C 1.232 178.617 177.300 0.141 0.000 1.150 234 P CA 0.697 63.909 63.100 0.187 0.000 0.800 234 P CB 0.122 31.889 31.700 0.112 0.000 0.787 235 L N -0.735 120.551 121.223 0.104 0.000 2.017 235 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 235 L C 2.276 179.213 176.870 0.110 0.000 1.073 235 L CA 1.593 56.487 54.840 0.091 0.000 0.745 235 L CB -1.186 40.918 42.059 0.075 0.000 0.894 235 L HN -0.054 nan 8.230 nan 0.000 0.432 236 A N -0.105 122.805 122.820 0.149 0.000 2.248 236 A HA -0.144 4.176 4.320 -0.000 0.000 0.210 236 A C 1.174 178.859 177.584 0.168 0.000 1.174 236 A CA 0.161 52.331 52.037 0.221 0.000 0.750 236 A CB -0.598 18.620 19.000 0.363 0.000 0.780 236 A HN 0.310 nan 8.150 nan 0.000 0.478 237 K N 1.143 121.604 120.400 0.101 0.000 2.504 237 K HA -0.127 4.193 4.320 -0.000 0.000 0.278 237 K C -0.401 176.182 176.600 -0.028 0.000 1.025 237 K CA 0.657 56.955 56.287 0.017 0.000 1.093 237 K CB -0.104 32.415 32.500 0.033 0.000 0.873 237 K HN 0.404 nan 8.250 nan 0.000 0.483 238 N N 2.636 121.287 118.700 -0.081 0.000 2.747 238 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 238 N C -0.043 175.414 175.510 -0.089 0.000 1.107 238 N CA 1.096 54.098 53.050 -0.079 0.000 0.707 238 N CB -1.130 37.325 38.487 -0.053 0.000 1.054 238 N HN 0.644 nan 8.380 nan 0.000 0.555 239 L N -1.520 119.634 121.223 -0.114 0.000 2.731 239 L HA 0.284 4.624 4.340 -0.000 0.000 0.240 239 L C 0.115 176.994 176.870 0.015 0.000 1.120 239 L CA 0.089 54.941 54.840 0.020 0.000 0.913 239 L CB 0.171 42.322 42.059 0.153 0.000 1.213 239 L HN 0.171 nan 8.230 nan 0.000 0.515 240 F N -3.990 115.719 119.950 -0.402 0.000 2.668 240 F HA 0.467 4.994 4.527 0.000 0.000 0.309 240 F C 0.255 175.598 175.800 -0.760 0.000 1.117 240 F CA -0.976 56.712 58.000 -0.521 0.000 0.951 240 F CB 0.755 39.618 39.000 -0.230 0.000 1.323 240 F HN -0.102 nan 8.300 nan 0.000 0.451 241 H N 0.191 119.266 119.070 0.008 0.000 3.058 241 H HA 0.477 5.033 4.556 -0.000 0.000 0.266 241 H C -0.399 174.879 175.328 -0.082 0.000 1.135 241 H CA -0.156 55.824 56.048 -0.113 0.000 1.174 241 H CB 0.757 30.468 29.762 -0.086 0.000 1.581 241 H HN 0.563 nan 8.280 nan 0.000 0.553 242 R N 0.153 120.721 120.500 0.114 0.000 2.663 242 R HA 0.685 5.025 4.340 -0.000 0.000 0.267 242 R C -1.429 175.028 176.300 0.261 0.000 1.038 242 R CA -0.571 55.564 56.100 0.059 0.000 0.886 242 R CB 2.344 32.501 30.300 -0.238 0.000 1.249 242 R HN 0.145 nan 8.270 nan 0.000 0.463 243 A N 1.994 125.023 122.820 0.349 0.000 2.515 243 A HA 0.883 5.203 4.320 -0.000 0.000 0.296 243 A C -1.310 176.511 177.584 0.395 0.000 1.094 243 A CA -0.679 51.518 52.037 0.267 0.000 0.718 243 A CB 1.430 20.436 19.000 0.011 0.000 1.307 243 A HN 0.579 nan 8.150 nan 0.000 0.408 244 I N 1.013 121.747 120.570 0.274 0.000 2.571 244 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 244 I C -0.572 175.669 176.117 0.207 0.000 1.134 244 I CA -0.149 61.242 61.300 0.152 0.000 1.052 244 I CB 2.430 40.406 38.000 -0.041 0.000 1.237 244 I HN 0.476 nan 8.210 nan 0.000 0.435 245 S N 5.163 120.948 115.700 0.142 0.000 2.520 245 S HA 0.342 4.812 4.470 -0.000 0.000 0.324 245 S C -0.457 174.203 174.600 0.100 0.000 1.069 245 S CA -0.629 57.640 58.200 0.115 0.000 1.121 245 S CB 0.781 64.038 63.200 0.096 0.000 0.971 245 S HN 0.462 nan 8.310 nan 0.000 0.463 246 E N 1.847 122.167 120.200 0.199 0.000 2.081 246 E HA 0.310 4.660 4.350 -0.000 0.000 0.281 246 E C -0.233 176.467 176.600 0.166 0.000 0.986 246 E CA -0.512 56.046 56.400 0.264 0.000 0.796 246 E CB 0.772 30.727 29.700 0.424 0.000 1.085 246 E HN 0.633 nan 8.360 nan 0.000 0.398 247 S N 1.827 117.594 115.700 0.113 0.000 3.706 247 S HA -0.157 4.313 4.470 -0.000 0.000 0.363 247 S C 0.076 174.925 174.600 0.415 0.000 0.999 247 S CA 0.499 58.801 58.200 0.170 0.000 1.143 247 S CB -1.177 62.038 63.200 0.025 0.000 0.902 247 S HN 0.881 nan 8.310 nan 0.000 0.476 248 G N -0.653 108.301 108.800 0.256 0.000 2.617 248 G HA2 0.553 4.513 3.960 -0.000 0.000 0.305 248 G HA3 0.553 4.513 3.960 -0.000 0.000 0.305 248 G C -0.891 174.041 174.900 0.054 0.000 1.436 248 G CA 0.070 45.275 45.100 0.175 0.000 1.036 248 G HN 1.359 nan 8.290 nan 0.000 0.589 249 V N -0.467 119.443 119.914 -0.006 0.000 3.159 249 V HA 0.891 5.011 4.120 -0.000 0.000 0.308 249 V C 1.186 177.246 176.094 -0.057 0.000 1.190 249 V CA -0.191 62.096 62.300 -0.021 0.000 1.037 249 V CB 1.352 33.149 31.823 -0.043 0.000 1.060 249 V HN 1.855 nan 8.190 nan 0.000 0.437 250 A N 0.638 123.432 122.820 -0.044 0.000 2.178 250 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 250 A C 1.531 179.060 177.584 -0.092 0.000 1.157 250 A CA 1.627 53.618 52.037 -0.077 0.000 0.689 250 A CB -0.703 18.254 19.000 -0.071 0.000 0.787 250 A HN 0.865 nan 8.150 nan 0.000 0.465 251 L N -0.835 120.330 121.223 -0.097 0.000 2.567 251 L HA 0.027 4.367 4.340 -0.000 0.000 0.225 251 L C 0.456 177.229 176.870 -0.162 0.000 1.119 251 L CA 0.052 54.821 54.840 -0.119 0.000 0.871 251 L CB -0.243 41.746 42.059 -0.117 0.000 1.036 251 L HN 0.100 nan 8.230 nan 0.000 0.459 252 T N 0.623 115.066 114.554 -0.184 0.000 3.058 252 T HA -0.020 4.330 4.350 -0.000 0.000 0.249 252 T C 1.454 176.026 174.700 -0.214 0.000 0.949 252 T CA 0.067 62.015 62.100 -0.254 0.000 1.204 252 T CB 0.363 69.055 68.868 -0.294 0.000 0.963 252 T HN 0.207 nan 8.240 nan 0.000 0.634 253 S N 2.922 118.502 115.700 -0.200 0.000 2.422 253 S HA -0.211 4.259 4.470 -0.000 0.000 0.248 253 S C 2.391 176.891 174.600 -0.167 0.000 1.069 253 S CA 1.700 59.802 58.200 -0.164 0.000 1.214 253 S CB -0.771 62.336 63.200 -0.155 0.000 1.122 253 S HN 0.682 nan 8.310 nan 0.000 0.432 254 V N 1.822 121.621 119.914 -0.193 0.000 2.311 254 V HA -0.258 3.862 4.120 -0.000 0.000 0.259 254 V C 1.782 177.786 176.094 -0.150 0.000 1.086 254 V CA 2.218 64.417 62.300 -0.169 0.000 1.078 254 V CB -0.463 31.255 31.823 -0.176 0.000 0.668 254 V HN 0.550 nan 8.190 nan 0.000 0.452 255 L N -0.661 120.466 121.223 -0.159 0.000 2.418 255 L HA 0.122 4.462 4.340 -0.000 0.000 0.218 255 L C 0.444 177.225 176.870 -0.149 0.000 1.125 255 L CA 0.106 54.851 54.840 -0.158 0.000 0.835 255 L CB 0.269 42.242 42.059 -0.145 0.000 0.953 255 L HN 0.211 nan 8.230 nan 0.000 0.454 256 V N 1.012 120.848 119.914 -0.130 0.000 2.378 256 V HA 0.251 4.371 4.120 -0.000 0.000 0.288 256 V C 0.049 176.084 176.094 -0.099 0.000 1.016 256 V CA -1.019 61.215 62.300 -0.109 0.000 0.840 256 V CB 1.401 33.162 31.823 -0.103 0.000 0.994 256 V HN 0.022 nan 8.190 nan 0.000 0.431 257 K N 4.147 124.492 120.400 -0.092 0.000 2.237 257 K HA 0.547 4.867 4.320 -0.000 0.000 0.270 257 K C -0.427 176.133 176.600 -0.066 0.000 1.015 257 K CA -0.299 55.941 56.287 -0.078 0.000 0.949 257 K CB 1.309 33.762 32.500 -0.079 0.000 0.976 257 K HN 0.584 nan 8.250 nan 0.000 0.472 258 K N -0.031 120.338 120.400 -0.052 0.000 2.477 258 K HA 0.582 4.902 4.320 -0.000 0.000 0.255 258 K C -0.215 176.367 176.600 -0.031 0.000 0.952 258 K CA -0.713 55.549 56.287 -0.042 0.000 0.826 258 K CB 2.157 34.637 32.500 -0.034 0.000 1.331 258 K HN 0.811 nan 8.250 nan 0.000 0.437 259 G N 1.477 110.260 108.800 -0.029 0.000 2.685 259 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.387 259 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.387 259 G C -1.264 173.618 174.900 -0.029 0.000 1.324 259 G CA -0.582 44.505 45.100 -0.021 0.000 0.878 259 G HN 0.713 nan 8.290 nan 0.000 0.527 260 D N 0.024 120.410 120.400 -0.022 0.000 2.363 260 D HA 0.310 4.950 4.640 -0.000 0.000 0.263 260 D C 1.779 178.059 176.300 -0.035 0.000 1.258 260 D CA 0.588 54.572 54.000 -0.027 0.000 0.907 260 D CB 1.080 41.870 40.800 -0.016 0.000 1.107 260 D HN 1.347 nan 8.370 nan 0.000 0.495 261 V N 2.112 121.994 119.914 -0.054 0.000 3.623 261 V HA 0.102 4.222 4.120 -0.000 0.000 0.271 261 V C 1.980 178.024 176.094 -0.084 0.000 1.248 261 V CA 0.395 62.650 62.300 -0.075 0.000 1.156 261 V CB -0.361 31.396 31.823 -0.110 0.000 0.870 261 V HN 0.296 nan 8.190 nan 0.000 0.453 262 K N 2.095 122.460 120.400 -0.058 0.000 2.063 262 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 262 K C -0.165 176.419 176.600 -0.026 0.000 1.048 262 K CA 2.245 58.506 56.287 -0.043 0.000 0.928 262 K CB -1.593 30.898 32.500 -0.015 0.000 0.713 262 K HN 0.443 nan 8.250 nan 0.000 0.442 263 P HA -0.184 nan 4.420 nan 0.000 0.216 263 P C 1.235 178.540 177.300 0.008 0.000 1.150 263 P CA 0.912 64.012 63.100 0.001 0.000 0.837 263 P CB 0.023 31.724 31.700 0.001 0.000 0.786 264 L N -0.819 120.400 121.223 -0.008 0.000 2.109 264 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 264 L C 1.966 178.846 176.870 0.016 0.000 1.086 264 L CA 1.966 56.812 54.840 0.011 0.000 0.760 264 L CB -1.339 40.714 42.059 -0.010 0.000 0.910 264 L HN -0.061 nan 8.230 nan 0.000 0.437 265 A N -0.059 122.725 122.820 -0.060 0.000 1.933 265 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 265 A C 2.056 179.727 177.584 0.145 0.000 1.175 265 A CA 1.583 53.586 52.037 -0.056 0.000 0.628 265 A CB -0.381 18.488 19.000 -0.218 0.000 0.814 265 A HN 0.583 nan 8.150 nan 0.000 0.444 266 E N -0.873 119.375 120.200 0.079 0.000 2.047 266 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 266 E C 2.245 178.891 176.600 0.076 0.000 0.987 266 E CA 1.070 57.517 56.400 0.078 0.000 0.799 266 E CB -0.213 29.514 29.700 0.046 0.000 0.752 266 E HN 0.724 nan 8.360 nan 0.000 0.449 267 Q N 0.517 120.357 119.800 0.065 0.000 2.234 267 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 267 Q C 2.043 178.089 176.000 0.077 0.000 0.980 267 Q CA 0.985 56.822 55.803 0.057 0.000 0.869 267 Q CB 0.070 28.838 28.738 0.051 0.000 0.912 267 Q HN 0.346 nan 8.270 nan 0.000 0.436 268 I N -0.382 120.268 120.570 0.133 0.000 2.339 268 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 268 I C 2.353 178.524 176.117 0.091 0.000 1.096 268 I CA 0.701 62.097 61.300 0.160 0.000 1.408 268 I CB -0.383 37.813 38.000 0.326 0.000 1.092 268 I HN 0.139 nan 8.210 nan 0.000 0.423 269 A N 1.282 124.168 122.820 0.110 0.000 1.940 269 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 269 A C 2.264 179.850 177.584 0.004 0.000 1.176 269 A CA 1.546 53.598 52.037 0.024 0.000 0.631 269 A CB -0.786 18.253 19.000 0.063 0.000 0.814 269 A HN 0.383 nan 8.150 nan 0.000 0.446 270 I N -0.796 119.788 120.570 0.023 0.000 2.163 270 I HA -0.192 3.978 4.170 -0.000 0.000 0.240 270 I C 2.543 178.658 176.117 -0.003 0.000 1.081 270 I CA 1.713 63.018 61.300 0.008 0.000 1.353 270 I CB -0.761 37.247 38.000 0.013 0.000 1.054 270 I HN 0.223 nan 8.210 nan 0.000 0.407 271 T N 0.933 115.486 114.554 -0.002 0.000 2.803 271 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 271 T C 1.984 176.670 174.700 -0.023 0.000 1.052 271 T CA 1.405 63.496 62.100 -0.015 0.000 1.136 271 T CB -0.302 68.554 68.868 -0.021 0.000 0.864 271 T HN 0.477 nan 8.240 nan 0.000 0.467 272 A N 0.532 123.334 122.820 -0.029 0.000 2.015 272 A HA 0.401 4.721 4.320 -0.000 0.000 0.219 272 A C 1.987 179.547 177.584 -0.040 0.000 1.163 272 A CA 1.314 53.323 52.037 -0.048 0.000 0.646 272 A CB -0.719 18.231 19.000 -0.084 0.000 0.806 272 A HN 0.888 nan 8.150 nan 0.000 0.448 273 G N -2.704 106.077 108.800 -0.031 0.000 2.145 273 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.176 273 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.176 273 G C -0.012 174.871 174.900 -0.028 0.000 1.013 273 G CA -0.131 44.954 45.100 -0.025 0.000 0.689 273 G HN 0.598 nan 8.290 nan 0.000 0.506 274 c N 0.179 118.760 118.600 -0.032 0.000 2.407 274 c HA 0.768 5.338 4.570 -0.000 0.000 0.366 274 c C 0.949 175.032 174.090 -0.013 0.000 1.213 274 c CA -0.702 55.608 56.329 -0.032 0.000 2.011 274 c CB 1.349 43.824 42.510 -0.058 0.000 2.306 274 c HN 0.534 nan 8.230 nan 0.000 0.527 275 K N 0.365 120.761 120.400 -0.006 0.000 2.090 275 K HA 0.438 4.758 4.320 -0.000 0.000 0.250 275 K C 0.176 176.783 176.600 0.012 0.000 1.004 275 K CA -0.008 56.282 56.287 0.005 0.000 0.919 275 K CB 0.488 32.994 32.500 0.010 0.000 1.045 275 K HN 0.789 nan 8.250 nan 0.000 0.471 276 T N -2.279 112.285 114.554 0.016 0.000 3.288 276 T HA 0.053 4.403 4.350 -0.000 0.000 0.293 276 T C 1.077 175.790 174.700 0.022 0.000 1.008 276 T CA -0.419 61.696 62.100 0.025 0.000 0.929 276 T CB 0.115 68.999 68.868 0.028 0.000 1.152 276 T HN 0.453 nan 8.240 nan 0.000 0.517 277 T N 2.884 117.447 114.554 0.015 0.000 2.580 277 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 277 T C 1.376 176.082 174.700 0.009 0.000 1.063 277 T CA 2.129 64.234 62.100 0.009 0.000 1.170 277 T CB -0.384 68.486 68.868 0.004 0.000 0.863 277 T HN 0.768 nan 8.240 nan 0.000 0.418 278 T N -1.804 112.752 114.554 0.003 0.000 2.742 278 T HA 0.506 4.855 4.350 -0.000 0.000 0.282 278 T C 1.141 175.846 174.700 0.009 0.000 1.025 278 T CA -0.286 61.813 62.100 -0.001 0.000 1.020 278 T CB 1.686 70.531 68.868 -0.038 0.000 1.317 278 T HN -0.048 nan 8.240 nan 0.000 0.538 279 S N 0.206 115.920 115.700 0.023 0.000 2.362 279 S HA 0.111 4.581 4.470 -0.000 0.000 0.221 279 S C 2.515 177.109 174.600 -0.011 0.000 1.032 279 S CA 0.925 59.176 58.200 0.084 0.000 0.973 279 S CB -1.014 62.337 63.200 0.252 0.000 0.849 279 S HN 0.909 nan 8.310 nan 0.000 0.465 280 A N 1.654 124.279 122.820 -0.324 0.000 1.917 280 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 280 A C 2.332 179.867 177.584 -0.082 0.000 1.182 280 A CA 1.794 53.609 52.037 -0.370 0.000 0.633 280 A CB -1.142 17.509 19.000 -0.582 0.000 0.819 280 A HN 0.324 nan 8.150 nan 0.000 0.448 281 V N 0.219 120.098 119.914 -0.058 0.000 2.220 281 V HA -0.404 3.716 4.120 -0.000 0.000 0.246 281 V C 2.649 178.774 176.094 0.050 0.000 1.049 281 V CA 2.487 64.798 62.300 0.017 0.000 1.003 281 V CB -0.960 30.866 31.823 0.006 0.000 0.634 281 V HN 0.620 nan 8.190 nan 0.000 0.444 282 M N -0.284 119.337 119.600 0.035 0.000 2.163 282 M HA -0.244 4.236 4.480 -0.000 0.000 0.258 282 M C 2.232 178.511 176.300 -0.035 0.000 1.071 282 M CA 2.270 57.580 55.300 0.016 0.000 1.093 282 M CB -1.019 31.632 32.600 0.085 0.000 1.285 282 M HN 0.259 nan 8.290 nan 0.000 0.420 283 V N -0.163 119.762 119.914 0.019 0.000 2.313 283 V HA -0.333 3.787 4.120 -0.000 0.000 0.253 283 V C 2.353 178.484 176.094 0.061 0.000 1.070 283 V CA 2.630 64.924 62.300 -0.008 0.000 1.057 283 V CB -1.202 30.704 31.823 0.138 0.000 0.653 283 V HN 0.523 nan 8.190 nan 0.000 0.450 284 H N -1.120 117.954 119.070 0.006 0.000 2.395 284 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 284 H C 2.283 177.615 175.328 0.007 0.000 1.070 284 H CA 2.011 58.069 56.048 0.018 0.000 1.356 284 H CB -0.513 29.248 29.762 -0.001 0.000 1.401 284 H HN 0.472 nan 8.280 nan 0.000 0.524 285 c N -0.127 118.412 118.600 -0.100 0.000 2.435 285 c HA 0.024 4.594 4.570 -0.000 0.000 0.279 285 c C 2.618 176.623 174.090 -0.141 0.000 1.321 285 c CA 0.605 56.849 56.329 -0.141 0.000 1.752 285 c CB -1.399 41.079 42.510 -0.052 0.000 1.959 285 c HN 0.646 nan 8.230 nan 0.000 0.500 286 L N 0.083 121.224 121.223 -0.137 0.000 2.240 286 L HA 0.024 4.364 4.340 -0.000 0.000 0.211 286 L C 2.821 179.728 176.870 0.062 0.000 1.106 286 L CA 0.932 55.704 54.840 -0.113 0.000 0.793 286 L CB -0.662 41.177 42.059 -0.365 0.000 0.927 286 L HN 0.281 nan 8.230 nan 0.000 0.446 287 R N -0.226 120.329 120.500 0.091 0.000 2.328 287 R HA -0.098 4.242 4.340 -0.000 0.000 0.207 287 R C 1.837 178.086 176.300 -0.084 0.000 1.056 287 R CA 0.549 56.665 56.100 0.027 0.000 1.016 287 R CB 0.069 30.374 30.300 0.007 0.000 0.872 287 R HN 0.440 nan 8.270 nan 0.000 0.471 288 Q N 0.169 119.896 119.800 -0.121 0.000 2.376 288 Q HA 0.072 4.412 4.340 -0.000 0.000 0.206 288 Q C 0.238 176.201 176.000 -0.062 0.000 0.921 288 Q CA 0.547 56.279 55.803 -0.118 0.000 0.911 288 Q CB 0.397 29.036 28.738 -0.165 0.000 1.032 288 Q HN 0.047 nan 8.270 nan 0.000 0.510 289 K N 2.154 122.526 120.400 -0.046 0.000 2.319 289 K HA 0.104 4.424 4.320 -0.000 0.000 0.265 289 K C 0.660 177.271 176.600 0.019 0.000 1.000 289 K CA 0.146 56.421 56.287 -0.019 0.000 0.943 289 K CB 0.319 32.800 32.500 -0.031 0.000 0.950 289 K HN 0.160 nan 8.250 nan 0.000 0.485 290 T N -2.517 112.059 114.554 0.038 0.000 2.824 290 T HA 0.097 4.447 4.350 -0.000 0.000 0.277 290 T C 1.311 176.104 174.700 0.155 0.000 0.975 290 T CA -0.679 61.462 62.100 0.068 0.000 0.966 290 T CB 1.103 69.998 68.868 0.045 0.000 1.054 290 T HN 0.602 nan 8.240 nan 0.000 0.533 291 E N 0.342 120.643 120.200 0.169 0.000 2.077 291 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 291 E C 1.806 178.564 176.600 0.263 0.000 0.989 291 E CA 1.484 58.047 56.400 0.272 0.000 0.800 291 E CB -0.091 29.634 29.700 0.041 0.000 0.746 291 E HN 0.787 nan 8.360 nan 0.000 0.452 292 E N 0.696 120.976 120.200 0.133 0.000 2.077 292 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 292 E C 2.017 178.685 176.600 0.113 0.000 0.989 292 E CA 1.398 57.861 56.400 0.105 0.000 0.800 292 E CB -0.058 29.675 29.700 0.055 0.000 0.746 292 E HN 0.344 nan 8.360 nan 0.000 0.452 293 E N 0.437 120.695 120.200 0.095 0.000 2.072 293 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 293 E C 2.154 178.789 176.600 0.059 0.000 0.985 293 E CA 0.676 57.111 56.400 0.059 0.000 0.801 293 E CB -0.078 29.639 29.700 0.028 0.000 0.750 293 E HN 0.271 nan 8.360 nan 0.000 0.452 294 L N 0.769 122.048 121.223 0.094 0.000 2.217 294 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 294 L C 2.486 179.401 176.870 0.075 0.000 1.107 294 L CA 0.183 54.996 54.840 -0.045 0.000 0.783 294 L CB -0.135 41.762 42.059 -0.271 0.000 0.919 294 L HN 0.173 nan 8.230 nan 0.000 0.442 295 L N -0.025 121.412 121.223 0.357 0.000 2.109 295 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 295 L C 2.269 179.251 176.870 0.186 0.000 1.086 295 L CA 1.741 56.818 54.840 0.394 0.000 0.760 295 L CB -0.358 41.883 42.059 0.303 0.000 0.910 295 L HN 0.109 nan 8.230 nan 0.000 0.437 296 E N -1.008 119.260 120.200 0.114 0.000 2.152 296 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 296 E C 1.921 178.538 176.600 0.028 0.000 0.983 296 E CA 1.493 57.928 56.400 0.058 0.000 0.818 296 E CB -0.132 29.591 29.700 0.038 0.000 0.758 296 E HN 0.540 nan 8.360 nan 0.000 0.467 297 T N -0.462 114.104 114.554 0.019 0.000 2.788 297 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 297 T C 1.753 176.440 174.700 -0.021 0.000 1.044 297 T CA 1.661 63.751 62.100 -0.017 0.000 1.139 297 T CB -0.492 68.352 68.868 -0.040 0.000 0.867 297 T HN 0.230 nan 8.240 nan 0.000 0.454 298 T N 2.602 117.186 114.554 0.050 0.000 2.708 298 T HA 0.047 4.397 4.350 -0.000 0.000 0.266 298 T C 1.927 176.626 174.700 -0.001 0.000 1.037 298 T CA 0.906 63.079 62.100 0.122 0.000 1.146 298 T CB -0.424 68.608 68.868 0.273 0.000 0.865 298 T HN 0.292 nan 8.240 nan 0.000 0.435 299 L N 0.256 121.491 121.223 0.020 0.000 2.291 299 L HA 0.033 4.373 4.340 -0.000 0.000 0.214 299 L C 2.523 179.350 176.870 -0.072 0.000 1.120 299 L CA 0.986 55.819 54.840 -0.011 0.000 0.799 299 L CB -0.402 41.668 42.059 0.019 0.000 0.925 299 L HN 0.194 nan 8.230 nan 0.000 0.446 300 K N -0.651 119.694 120.400 -0.092 0.000 2.243 300 K HA 0.021 4.341 4.320 -0.000 0.000 0.201 300 K C 2.071 178.560 176.600 -0.185 0.000 1.051 300 K CA 0.637 56.861 56.287 -0.105 0.000 0.970 300 K CB 0.106 32.563 32.500 -0.072 0.000 0.755 300 K HN 0.194 nan 8.250 nan 0.000 0.465 301 M N 0.793 120.195 119.600 -0.329 0.000 2.200 301 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 301 M C 0.449 176.418 176.300 -0.552 0.000 1.066 301 M CA 1.108 56.058 55.300 -0.584 0.000 1.127 301 M CB -0.634 31.207 32.600 -1.265 0.000 1.379 301 M HN 0.034 nan 8.290 nan 0.000 0.420 302 K N -0.624 119.520 120.400 -0.426 0.000 3.239 302 K HA -0.195 4.125 4.320 -0.000 0.000 0.270 302 K C 0.388 176.920 176.600 -0.113 0.000 1.049 302 K CA -0.173 55.997 56.287 -0.195 0.000 0.769 302 K CB -1.882 30.549 32.500 -0.115 0.000 1.305 302 K HN 0.211 nan 8.250 nan 0.000 0.469 303 F N -0.589 119.382 119.950 0.035 0.000 2.373 303 F HA -0.235 4.292 4.527 0.000 0.000 0.300 303 F C 2.093 177.912 175.800 0.032 0.000 1.080 303 F CA 1.124 59.146 58.000 0.036 0.000 1.417 303 F CB -0.038 38.992 39.000 0.051 0.000 1.070 303 F HN 0.395 nan 8.300 nan 0.000 0.546 304 L N -1.373 119.979 121.223 0.215 0.000 2.467 304 L HA 0.271 4.611 4.340 -0.000 0.000 0.213 304 L C 1.276 178.209 176.870 0.107 0.000 1.053 304 L CA 0.482 55.408 54.840 0.142 0.000 0.847 304 L CB -0.459 41.667 42.059 0.113 0.000 1.075 304 L HN -0.271 nan 8.230 nan 0.000 0.479 305 S N 0.650 116.400 115.700 0.084 0.000 2.553 305 S HA 0.146 4.616 4.470 -0.000 0.000 0.271 305 S C -0.263 174.376 174.600 0.065 0.000 1.362 305 S CA 0.073 58.309 58.200 0.060 0.000 1.010 305 S CB 0.232 63.449 63.200 0.029 0.000 0.865 305 S HN 0.261 nan 8.310 nan 0.000 0.543 306 L N 2.247 123.501 121.223 0.053 0.000 2.319 306 L HA 0.353 4.693 4.340 -0.000 0.000 0.281 306 L C -0.513 176.349 176.870 -0.013 0.000 1.005 306 L CA -0.485 54.376 54.840 0.034 0.000 0.828 306 L CB 1.388 43.476 42.059 0.048 0.000 1.227 306 L HN 0.504 nan 8.230 nan 0.000 0.415 307 D N 3.769 124.156 120.400 -0.021 0.000 2.451 307 D HA -0.010 4.630 4.640 -0.000 0.000 0.254 307 D C 1.116 177.382 176.300 -0.057 0.000 1.204 307 D CA 0.476 54.454 54.000 -0.038 0.000 0.896 307 D CB 0.839 41.614 40.800 -0.042 0.000 1.136 307 D HN 0.527 nan 8.370 nan 0.000 0.499 308 L N 2.680 123.873 121.223 -0.050 0.000 2.109 308 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 308 L C 1.377 178.218 176.870 -0.047 0.000 1.086 308 L CA 0.740 55.547 54.840 -0.056 0.000 0.760 308 L CB -0.505 41.529 42.059 -0.040 0.000 0.910 308 L HN 0.527 nan 8.230 nan 0.000 0.437 309 Q N 0.276 120.053 119.800 -0.038 0.000 2.484 309 Q HA 0.623 4.963 4.340 -0.000 0.000 0.285 309 Q C -0.235 175.746 176.000 -0.031 0.000 1.097 309 Q CA -0.109 55.678 55.803 -0.027 0.000 0.802 309 Q CB 2.808 31.537 28.738 -0.015 0.000 1.444 309 Q HN 0.105 nan 8.270 nan 0.000 0.429 310 G N 1.054 109.843 108.800 -0.019 0.000 2.603 310 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 310 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 310 G C -1.376 173.503 174.900 -0.036 0.000 1.286 310 G CA -0.357 44.731 45.100 -0.020 0.000 0.871 310 G HN 0.827 nan 8.290 nan 0.000 0.568 311 D N 0.744 121.126 120.400 -0.031 0.000 2.383 311 D HA 0.313 4.953 4.640 -0.000 0.000 0.252 311 D C -0.663 175.541 176.300 -0.159 0.000 1.166 311 D CA -1.175 52.794 54.000 -0.052 0.000 0.879 311 D CB 1.379 42.173 40.800 -0.010 0.000 1.164 311 D HN 0.008 nan 8.370 nan 0.000 0.462 312 P HA -0.105 nan 4.420 nan 0.000 0.216 312 P C 0.191 177.349 177.300 -0.236 0.000 1.153 312 P CA 1.112 63.969 63.100 -0.405 0.000 0.858 312 P CB 0.171 31.335 31.700 -0.893 0.000 0.789 313 R N 0.315 120.639 120.500 -0.294 0.000 4.860 313 R HA 0.072 4.412 4.340 -0.000 0.000 0.191 313 R C 0.876 177.137 176.300 -0.064 0.000 1.936 313 R CA 0.461 56.463 56.100 -0.163 0.000 1.609 313 R CB -0.529 29.611 30.300 -0.266 0.000 1.392 313 R HN 0.394 nan 8.270 nan 0.000 0.844 314 E N -0.791 119.386 120.200 -0.038 0.000 3.027 314 E HA -0.034 4.316 4.350 -0.000 0.000 0.221 314 E C -0.017 176.586 176.600 0.004 0.000 1.070 314 E CA 0.158 56.548 56.400 -0.016 0.000 1.705 314 E CB 0.227 29.911 29.700 -0.027 0.000 1.998 314 E HN 0.274 nan 8.360 nan 0.000 0.976 315 S N 2.609 118.309 115.700 -0.000 0.000 4.117 315 S HA 0.087 4.557 4.470 -0.000 0.000 0.191 315 S C 0.338 174.972 174.600 0.057 0.000 1.308 315 S CA -0.188 58.024 58.200 0.020 0.000 0.906 315 S CB -0.184 63.020 63.200 0.006 0.000 1.565 315 S HN 0.054 nan 8.310 nan 0.000 0.439 316 Q N 2.685 122.527 119.800 0.070 0.000 2.264 316 Q HA 0.215 4.555 4.340 -0.000 0.000 0.296 316 Q C -2.230 173.856 176.000 0.144 0.000 1.103 316 Q CA -0.820 55.035 55.803 0.087 0.000 0.967 316 Q CB -0.047 28.738 28.738 0.080 0.000 1.090 316 Q HN 0.384 nan 8.270 nan 0.000 0.379 317 P HA 0.043 nan 4.420 nan 0.000 0.282 317 P C -1.003 176.300 177.300 0.004 0.000 1.286 317 P CA -0.614 62.546 63.100 0.100 0.000 0.777 317 P CB 0.216 31.928 31.700 0.020 0.000 1.184 318 L N -1.456 119.694 121.223 -0.121 0.000 2.837 318 L HA -0.124 4.216 4.340 -0.000 0.000 0.300 318 L C 0.040 176.726 176.870 -0.306 0.000 1.211 318 L CA 0.421 55.034 54.840 -0.378 0.000 0.890 318 L CB -1.826 40.079 42.059 -0.256 0.000 1.200 318 L HN 0.135 nan 8.230 nan 0.000 0.492 319 L N 2.585 123.585 121.223 -0.371 0.000 2.536 319 L HA 0.544 4.884 4.340 -0.000 0.000 0.282 319 L C 0.960 177.728 176.870 -0.170 0.000 1.174 319 L CA 0.102 54.840 54.840 -0.171 0.000 0.989 319 L CB -1.047 40.970 42.059 -0.070 0.000 1.311 319 L HN 0.848 nan 8.230 nan 0.000 0.455 320 G N 2.682 111.351 108.800 -0.218 0.000 2.829 320 G HA2 0.354 4.314 3.960 -0.000 0.000 0.173 320 G HA3 0.354 4.314 3.960 -0.000 0.000 0.173 320 G C -0.165 174.602 174.900 -0.222 0.000 1.476 320 G CA -0.500 44.386 45.100 -0.356 0.000 1.072 320 G HN 0.516 nan 8.290 nan 0.000 0.577 321 T N 0.235 114.702 114.554 -0.145 0.000 2.926 321 T HA 0.409 4.759 4.350 -0.000 0.000 0.307 321 T C 0.130 174.817 174.700 -0.021 0.000 1.059 321 T CA 0.288 62.417 62.100 0.048 0.000 1.122 321 T CB 1.084 69.988 68.868 0.060 0.000 0.972 321 T HN 1.120 nan 8.240 nan 0.000 0.545 322 V N -0.103 119.802 119.914 -0.015 0.000 2.971 322 V HA 0.528 4.648 4.120 -0.000 0.000 0.309 322 V C -0.575 175.474 176.094 -0.074 0.000 1.130 322 V CA -1.443 60.820 62.300 -0.063 0.000 0.964 322 V CB 1.746 33.516 31.823 -0.087 0.000 1.029 322 V HN 0.682 nan 8.190 nan 0.000 0.427 323 I N 4.409 124.933 120.570 -0.075 0.000 2.578 323 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 323 I C 0.690 176.761 176.117 -0.078 0.000 1.126 323 I CA 0.507 61.763 61.300 -0.075 0.000 1.380 323 I CB 0.099 38.059 38.000 -0.066 0.000 1.408 323 I HN 1.029 nan 8.210 nan 0.000 0.532 324 D N 3.666 124.016 120.400 -0.082 0.000 2.449 324 D HA 0.108 4.748 4.640 -0.000 0.000 0.210 324 D C 1.330 177.591 176.300 -0.064 0.000 1.094 324 D CA 0.647 54.594 54.000 -0.088 0.000 0.846 324 D CB 0.620 41.345 40.800 -0.125 0.000 1.003 324 D HN 0.706 nan 8.370 nan 0.000 0.504 325 G N 0.371 109.138 108.800 -0.055 0.000 2.179 325 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 325 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 325 G C 0.910 175.794 174.900 -0.027 0.000 0.977 325 G CA 0.820 45.896 45.100 -0.040 0.000 0.641 325 G HN 0.268 nan 8.290 nan 0.000 0.533 326 M N -1.452 118.131 119.600 -0.028 0.000 3.101 326 M HA 0.415 4.895 4.480 -0.000 0.000 0.236 326 M C 2.294 178.591 176.300 -0.006 0.000 1.538 326 M CA 0.982 56.278 55.300 -0.007 0.000 1.309 326 M CB -1.192 31.410 32.600 0.002 0.000 1.141 326 M HN 0.218 nan 8.290 nan 0.000 0.579 327 L N 0.970 122.180 121.223 -0.021 0.000 2.007 327 L HA 0.134 4.474 4.340 -0.000 0.000 0.205 327 L C 0.410 177.250 176.870 -0.050 0.000 1.073 327 L CA 1.529 56.354 54.840 -0.026 0.000 0.744 327 L CB 0.059 42.097 42.059 -0.035 0.000 0.898 327 L HN 0.133 nan 8.230 nan 0.000 0.435 328 L N 0.316 121.497 121.223 -0.070 0.000 2.343 328 L HA 0.235 4.575 4.340 -0.000 0.000 0.278 328 L C 0.507 177.334 176.870 -0.072 0.000 0.996 328 L CA -0.395 54.395 54.840 -0.084 0.000 0.831 328 L CB 1.734 43.730 42.059 -0.105 0.000 1.232 328 L HN 0.151 nan 8.230 nan 0.000 0.413 329 L N 2.887 124.067 121.223 -0.070 0.000 2.376 329 L HA 0.016 4.356 4.340 -0.000 0.000 0.219 329 L C 0.533 177.365 176.870 -0.062 0.000 1.133 329 L CA 1.047 55.851 54.840 -0.060 0.000 0.816 329 L CB -0.331 41.694 42.059 -0.057 0.000 0.933 329 L HN 0.651 nan 8.230 nan 0.000 0.449 330 K N -2.221 118.135 120.400 -0.074 0.000 2.658 330 K HA 0.311 4.631 4.320 -0.000 0.000 0.293 330 K C -0.494 176.061 176.600 -0.074 0.000 1.026 330 K CA -0.764 55.483 56.287 -0.067 0.000 0.871 330 K CB 0.485 32.948 32.500 -0.062 0.000 1.524 330 K HN -0.149 nan 8.250 nan 0.000 0.400 331 T N -1.471 113.045 114.554 -0.064 0.000 2.908 331 T HA 0.047 4.397 4.350 -0.000 0.000 0.325 331 T C -1.807 172.850 174.700 -0.073 0.000 1.092 331 T CA -0.538 61.522 62.100 -0.066 0.000 1.125 331 T CB 0.171 69.007 68.868 -0.052 0.000 1.016 331 T HN 0.322 nan 8.240 nan 0.000 0.550 332 P HA -0.110 nan 4.420 nan 0.000 0.214 332 P C 1.481 178.746 177.300 -0.059 0.000 1.163 332 P CA 1.227 64.282 63.100 -0.075 0.000 0.889 332 P CB 0.005 31.659 31.700 -0.076 0.000 0.790 333 E N 0.072 120.241 120.200 -0.051 0.000 2.068 333 E HA -0.252 4.098 4.350 -0.000 0.000 0.207 333 E C 1.933 178.511 176.600 -0.036 0.000 1.032 333 E CA 1.743 58.120 56.400 -0.039 0.000 0.839 333 E CB -1.010 28.670 29.700 -0.032 0.000 0.758 333 E HN 0.452 nan 8.360 nan 0.000 0.457 334 E N 0.247 120.422 120.200 -0.041 0.000 2.031 334 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 334 E C 2.293 178.860 176.600 -0.056 0.000 0.994 334 E CA 1.055 57.430 56.400 -0.042 0.000 0.800 334 E CB -0.307 29.366 29.700 -0.044 0.000 0.752 334 E HN 0.205 nan 8.360 nan 0.000 0.447 335 L N 1.006 122.182 121.223 -0.078 0.000 2.089 335 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 335 L C 2.584 179.397 176.870 -0.095 0.000 1.079 335 L CA 1.407 56.178 54.840 -0.114 0.000 0.758 335 L CB -0.505 41.465 42.059 -0.149 0.000 0.891 335 L HN 0.207 nan 8.230 nan 0.000 0.433 336 Q N -0.512 119.256 119.800 -0.053 0.000 2.181 336 Q HA -0.202 4.138 4.340 -0.000 0.000 0.205 336 Q C 2.404 178.398 176.000 -0.010 0.000 0.980 336 Q CA 1.514 57.308 55.803 -0.014 0.000 0.862 336 Q CB -0.261 28.482 28.738 0.009 0.000 0.905 336 Q HN 0.592 nan 8.270 nan 0.000 0.429 337 A N 1.331 124.139 122.820 -0.020 0.000 1.972 337 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 337 A C 1.085 178.659 177.584 -0.016 0.000 1.169 337 A CA 0.448 52.478 52.037 -0.012 0.000 0.635 337 A CB -0.435 18.556 19.000 -0.015 0.000 0.810 337 A HN 0.440 nan 8.150 nan 0.000 0.446 338 E N -0.570 119.608 120.200 -0.037 0.000 2.442 338 E HA 0.072 4.422 4.350 -0.000 0.000 0.262 338 E C 0.524 177.118 176.600 -0.009 0.000 1.004 338 E CA -0.016 56.360 56.400 -0.041 0.000 0.928 338 E CB 0.494 30.132 29.700 -0.103 0.000 0.937 338 E HN 0.333 nan 8.360 nan 0.000 0.446 339 R N 2.652 123.161 120.500 0.016 0.000 1.904 339 R HA 0.162 4.502 4.340 -0.000 0.000 0.178 339 R C 0.103 176.455 176.300 0.086 0.000 1.718 339 R CA 0.402 56.526 56.100 0.040 0.000 1.331 339 R CB -0.423 29.893 30.300 0.027 0.000 1.089 339 R HN 0.626 nan 8.270 nan 0.000 0.479 340 N N 0.944 119.690 118.700 0.078 0.000 2.256 340 N HA 0.003 4.743 4.740 -0.000 0.000 0.277 340 N C -1.004 174.641 175.510 0.225 0.000 1.362 340 N CA 0.628 53.741 53.050 0.106 0.000 0.861 340 N CB 0.071 38.600 38.487 0.070 0.000 1.136 340 N HN 0.022 nan 8.380 nan 0.000 0.492 341 F N 0.903 120.856 119.950 0.005 0.000 2.878 341 F HA 0.109 4.636 4.527 -0.000 0.000 0.322 341 F C -1.178 174.656 175.800 0.056 0.000 1.154 341 F CA -0.983 57.030 58.000 0.021 0.000 0.896 341 F CB 0.886 39.891 39.000 0.008 0.000 1.313 341 F HN 0.347 nan 8.300 nan 0.000 0.451 342 H N 2.587 120.997 119.070 -1.100 0.000 2.934 342 H HA 0.437 4.993 4.556 -0.000 0.000 0.273 342 H C -0.710 174.239 175.328 -0.631 0.000 1.121 342 H CA 0.368 55.936 56.048 -0.799 0.000 1.451 342 H CB 0.533 29.795 29.762 -0.834 0.000 1.469 342 H HN 0.633 nan 8.280 nan 0.000 0.476 343 T N 2.751 117.127 114.554 -0.296 0.000 2.867 343 T HA 0.467 4.817 4.350 -0.000 0.000 0.282 343 T C 0.187 174.728 174.700 -0.265 0.000 1.000 343 T CA -0.857 61.117 62.100 -0.210 0.000 1.042 343 T CB 1.743 70.544 68.868 -0.112 0.000 0.973 343 T HN 0.390 nan 8.240 nan 0.000 0.465 344 V N -1.130 118.699 119.914 -0.141 0.000 2.962 344 V HA 0.738 4.858 4.120 -0.000 0.000 0.313 344 V C -3.181 173.028 176.094 0.192 0.000 1.099 344 V CA -3.412 58.837 62.300 -0.086 0.000 0.971 344 V CB 1.421 33.093 31.823 -0.252 0.000 1.028 344 V HN 0.633 nan 8.190 nan 0.000 0.430 345 P HA 0.119 nan 4.420 nan 0.000 0.264 345 P C -1.404 176.209 177.300 0.522 0.000 1.183 345 P CA 0.712 64.003 63.100 0.319 0.000 0.763 345 P CB -0.124 31.596 31.700 0.035 0.000 0.807 346 Y N 3.119 123.632 120.300 0.355 0.000 2.442 346 Y HA 0.586 5.136 4.550 -0.000 0.000 0.344 346 Y C -0.709 175.193 175.900 0.003 0.000 0.976 346 Y CA -1.521 56.622 58.100 0.071 0.000 1.040 346 Y CB 1.796 39.901 38.460 -0.592 0.000 1.228 346 Y HN 0.191 nan 8.280 nan 0.000 0.451 347 M N 7.787 127.331 119.600 -0.092 0.000 2.053 347 M HA 0.432 4.912 4.480 -0.000 0.000 0.297 347 M C -2.265 173.774 176.300 -0.437 0.000 0.921 347 M CA -0.707 54.331 55.300 -0.437 0.000 0.918 347 M CB 0.885 32.925 32.600 -0.934 0.000 1.499 347 M HN 0.407 nan 8.290 nan 0.000 0.422 348 V N 3.921 123.528 119.914 -0.511 0.000 2.435 348 V HA 0.917 5.037 4.120 -0.000 0.000 0.290 348 V C 0.433 176.267 176.094 -0.433 0.000 1.030 348 V CA -0.536 61.470 62.300 -0.490 0.000 0.881 348 V CB 1.334 32.784 31.823 -0.622 0.000 0.983 348 V HN 0.946 nan 8.190 nan 0.000 0.445 349 G N 3.997 112.485 108.800 -0.519 0.000 2.660 349 G HA2 0.849 4.809 3.960 -0.000 0.000 0.294 349 G HA3 0.849 4.809 3.960 -0.000 0.000 0.294 349 G C -1.215 173.232 174.900 -0.755 0.000 1.369 349 G CA -0.678 43.690 45.100 -1.219 0.000 0.912 349 G HN 0.915 nan 8.290 nan 0.000 0.479 350 I N -2.152 118.032 120.570 -0.644 0.000 3.145 350 I HA 0.613 4.783 4.170 -0.000 0.000 0.313 350 I C -1.038 175.066 176.117 -0.021 0.000 1.122 350 I CA -1.428 59.738 61.300 -0.223 0.000 0.987 350 I CB 2.575 40.485 38.000 -0.150 0.000 1.236 350 I HN 0.417 nan 8.210 nan 0.000 0.453 351 N N 1.785 120.518 118.700 0.055 0.000 2.405 351 N HA 0.232 4.972 4.740 -0.000 0.000 0.299 351 N C 0.037 175.613 175.510 0.110 0.000 1.075 351 N CA -0.823 52.340 53.050 0.188 0.000 0.884 351 N CB 2.340 40.969 38.487 0.237 0.000 1.194 351 N HN 0.552 nan 8.380 nan 0.000 0.491 352 K N 1.121 121.597 120.400 0.126 0.000 2.097 352 K HA -0.242 4.078 4.320 -0.000 0.000 0.214 352 K C 0.068 176.722 176.600 0.089 0.000 1.052 352 K CA 1.920 58.261 56.287 0.089 0.000 0.932 352 K CB 0.082 32.622 32.500 0.067 0.000 0.716 352 K HN 0.587 nan 8.250 nan 0.000 0.455 353 Q N -0.078 119.784 119.800 0.103 0.000 2.965 353 Q HA 0.112 4.452 4.340 -0.000 0.000 0.288 353 Q C -0.238 175.834 176.000 0.119 0.000 0.974 353 Q CA -0.322 55.550 55.803 0.116 0.000 0.849 353 Q CB 1.475 30.286 28.738 0.122 0.000 1.280 353 Q HN 0.168 nan 8.270 nan 0.000 0.441 354 E N 0.291 120.523 120.200 0.054 0.000 2.160 354 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 354 E C 0.444 177.104 176.600 0.100 0.000 0.991 354 E CA 1.192 57.559 56.400 -0.056 0.000 0.810 354 E CB 0.178 29.558 29.700 -0.534 0.000 0.742 354 E HN 0.470 nan 8.360 nan 0.000 0.466 355 F N 0.383 120.317 119.950 -0.026 0.000 2.750 355 F HA 0.269 4.796 4.527 -0.000 0.000 0.297 355 F C 1.650 177.451 175.800 0.002 0.000 1.138 355 F CA -0.337 57.641 58.000 -0.038 0.000 1.346 355 F CB 0.391 39.345 39.000 -0.075 0.000 0.965 355 F HN -0.082 nan 8.300 nan 0.000 0.514 356 G N 0.860 109.713 108.800 0.088 0.000 2.604 356 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.216 356 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.216 356 G C 1.066 176.037 174.900 0.117 0.000 1.265 356 G CA 1.590 46.760 45.100 0.116 0.000 0.804 356 G HN 0.638 nan 8.290 nan 0.000 0.579 357 W N -1.080 120.174 121.300 -0.076 0.000 4.301 357 W HA 0.350 5.010 4.660 -0.000 0.000 0.191 357 W C 1.825 178.278 176.519 -0.109 0.000 1.108 357 W CA 0.313 57.604 57.345 -0.090 0.000 1.676 357 W CB -0.436 29.007 29.460 -0.028 0.000 0.650 357 W HN 0.135 nan 8.180 nan 0.000 0.943 358 L N 2.211 123.304 121.223 -0.216 0.000 1.944 358 L HA -0.164 4.176 4.340 -0.000 0.000 0.218 358 L C 2.143 178.724 176.870 -0.482 0.000 1.075 358 L CA 2.769 57.350 54.840 -0.432 0.000 0.767 358 L CB -1.437 40.679 42.059 0.096 0.000 0.890 358 L HN 0.198 nan 8.230 nan 0.000 0.434 359 I N -0.228 120.142 120.570 -0.332 0.000 2.068 359 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 359 I C -0.121 175.694 176.117 -0.503 0.000 1.046 359 I CA 2.063 63.148 61.300 -0.358 0.000 1.306 359 I CB -1.877 35.939 38.000 -0.306 0.000 1.023 359 I HN 0.277 nan 8.210 nan 0.000 0.399 360 P HA -0.191 nan 4.420 nan 0.000 0.216 360 P C 1.123 178.185 177.300 -0.397 0.000 1.150 360 P CA 1.222 63.892 63.100 -0.718 0.000 0.843 360 P CB -0.064 31.094 31.700 -0.903 0.000 0.787 364 M N 0.897 120.473 119.600 -0.041 0.000 2.435 364 M HA -0.050 4.430 4.480 -0.000 0.000 0.262 364 M C 0.656 177.023 176.300 0.112 0.000 1.065 364 M CA 1.121 56.469 55.300 0.080 0.000 1.076 364 M CB -0.728 31.981 32.600 0.182 0.000 1.403 364 M HN 0.414 nan 8.290 nan 0.000 0.454 365 S N 0.053 115.787 115.700 0.058 0.000 3.797 365 S HA -0.169 4.301 4.470 -0.000 0.000 0.374 365 S C -0.320 174.357 174.600 0.127 0.000 0.970 365 S CA 0.142 58.378 58.200 0.060 0.000 1.177 365 S CB -1.913 61.306 63.200 0.032 0.000 0.891 365 S HN 0.420 nan 8.310 nan 0.000 0.491 366 Y N 1.075 121.371 120.300 -0.006 0.000 2.497 366 Y HA 0.213 4.763 4.550 -0.000 0.000 0.334 366 Y C -0.921 175.011 175.900 0.054 0.000 1.199 366 Y CA -1.131 57.000 58.100 0.052 0.000 1.425 366 Y CB 0.297 38.807 38.460 0.083 0.000 1.291 366 Y HN 0.111 nan 8.280 nan 0.000 0.562 367 P HA -0.145 nan 4.420 nan 0.000 0.227 367 P C -0.453 176.898 177.300 0.085 0.000 1.145 367 P CA 1.154 64.258 63.100 0.006 0.000 0.769 367 P CB -0.022 31.634 31.700 -0.074 0.000 0.769 368 L N 0.080 121.416 121.223 0.188 0.000 2.536 368 L HA 0.070 4.410 4.340 -0.000 0.000 0.282 368 L C 1.210 178.163 176.870 0.139 0.000 1.147 368 L CA 0.289 55.241 54.840 0.187 0.000 0.936 368 L CB -0.269 41.956 42.059 0.276 0.000 1.279 368 L HN 0.055 nan 8.230 nan 0.000 0.461 369 S N -0.715 115.045 115.700 0.101 0.000 2.648 369 S HA 0.040 4.510 4.470 -0.000 0.000 0.270 369 S C 1.111 175.754 174.600 0.071 0.000 1.080 369 S CA -0.520 57.731 58.200 0.086 0.000 1.159 369 S CB 0.243 63.484 63.200 0.067 0.000 1.091 369 S HN 0.579 nan 8.310 nan 0.000 0.605 370 E N 1.988 122.227 120.200 0.065 0.000 2.318 370 E HA 0.244 4.594 4.350 -0.000 0.000 0.193 370 E C 1.587 178.222 176.600 0.058 0.000 0.998 370 E CA 0.820 57.251 56.400 0.052 0.000 0.859 370 E CB -0.731 28.994 29.700 0.041 0.000 0.812 370 E HN 0.818 nan 8.360 nan 0.000 0.492 371 G N 2.051 110.896 108.800 0.076 0.000 2.179 371 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 371 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 371 G C 0.086 175.031 174.900 0.075 0.000 0.977 371 G CA 0.634 45.782 45.100 0.081 0.000 0.641 371 G HN 0.475 nan 8.290 nan 0.000 0.533 372 Q N -0.992 118.847 119.800 0.065 0.000 2.323 372 Q HA 0.819 5.159 4.340 -0.000 0.000 0.271 372 Q C -1.443 174.585 176.000 0.046 0.000 1.048 372 Q CA -1.278 54.557 55.803 0.055 0.000 0.792 372 Q CB 2.793 31.555 28.738 0.040 0.000 1.280 372 Q HN 0.521 nan 8.270 nan 0.000 0.441 373 L N 3.085 124.335 121.223 0.045 0.000 2.438 373 L HA 0.433 4.773 4.340 -0.000 0.000 0.270 373 L C -1.137 175.739 176.870 0.010 0.000 0.972 373 L CA -0.138 54.709 54.840 0.013 0.000 0.831 373 L CB 1.826 43.887 42.059 0.003 0.000 1.273 373 L HN 0.873 nan 8.230 nan 0.000 0.405 374 D N 2.871 123.266 120.400 -0.008 0.000 2.529 374 D HA 0.181 4.821 4.640 -0.000 0.000 0.273 374 D C 0.031 176.327 176.300 -0.007 0.000 1.197 374 D CA -0.478 53.523 54.000 0.002 0.000 1.070 374 D CB 0.851 41.653 40.800 0.003 0.000 1.134 374 D HN 0.448 nan 8.370 nan 0.000 0.590 375 Q N 0.232 120.038 119.800 0.010 0.000 1.965 375 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 375 Q C 2.056 178.059 176.000 0.004 0.000 0.981 375 Q CA 1.422 57.235 55.803 0.017 0.000 0.834 375 Q CB -0.349 28.405 28.738 0.027 0.000 0.900 375 Q HN 0.495 nan 8.270 nan 0.000 0.426 376 K N -0.153 120.248 120.400 0.003 0.000 2.059 376 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 376 K C 2.188 178.782 176.600 -0.010 0.000 1.050 376 K CA 1.913 58.200 56.287 0.000 0.000 0.927 376 K CB -0.264 32.236 32.500 0.000 0.000 0.714 376 K HN 0.189 nan 8.250 nan 0.000 0.447 377 T N 0.854 115.392 114.554 -0.027 0.000 2.821 377 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 377 T C 1.923 176.559 174.700 -0.106 0.000 1.046 377 T CA 1.099 63.168 62.100 -0.051 0.000 1.139 377 T CB -0.272 68.561 68.868 -0.058 0.000 0.871 377 T HN 0.361 nan 8.240 nan 0.000 0.454 378 A N 2.039 124.774 122.820 -0.141 0.000 1.859 378 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 378 A C 2.327 179.847 177.584 -0.108 0.000 1.209 378 A CA 2.190 54.067 52.037 -0.266 0.000 0.639 378 A CB -0.928 18.003 19.000 -0.115 0.000 0.835 378 A HN 0.468 nan 8.150 nan 0.000 0.450 379 M N -0.996 118.621 119.600 0.027 0.000 2.065 379 M HA -0.165 4.315 4.480 -0.000 0.000 0.259 379 M C 2.500 178.885 176.300 0.140 0.000 1.069 379 M CA 1.970 57.337 55.300 0.110 0.000 1.110 379 M CB -0.527 32.116 32.600 0.072 0.000 1.328 379 M HN 0.479 nan 8.290 nan 0.000 0.405 380 S N 0.331 116.082 115.700 0.084 0.000 2.440 380 S HA -0.128 4.342 4.470 -0.000 0.000 0.240 380 S C 1.621 176.307 174.600 0.144 0.000 1.014 380 S CA 1.082 59.353 58.200 0.118 0.000 0.980 380 S CB -0.175 63.058 63.200 0.055 0.000 0.775 380 S HN 0.438 nan 8.310 nan 0.000 0.499 381 L N -0.093 121.176 121.223 0.076 0.000 2.262 381 L HA 0.229 4.569 4.340 -0.000 0.000 0.197 381 L C 2.087 179.101 176.870 0.240 0.000 1.073 381 L CA 0.624 55.498 54.840 0.056 0.000 0.800 381 L CB -0.407 41.581 42.059 -0.119 0.000 0.987 381 L HN 0.340 nan 8.230 nan 0.000 0.470 382 L N -0.000 121.449 121.223 0.377 0.000 2.137 382 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 382 L C 2.071 179.204 176.870 0.439 0.000 1.085 382 L CA 2.030 57.218 54.840 0.580 0.000 0.760 382 L CB -0.942 41.490 42.059 0.623 0.000 0.893 382 L HN 0.531 nan 8.230 nan 0.000 0.434 383 W N 0.954 122.357 121.300 0.171 0.000 2.352 383 W HA -0.274 4.385 4.660 -0.000 0.000 0.322 383 W C 1.905 178.501 176.519 0.128 0.000 1.208 383 W CA 1.262 58.684 57.345 0.129 0.000 1.286 383 W CB -0.094 29.407 29.460 0.068 0.000 1.167 383 W HN 0.060 nan 8.180 nan 0.000 0.469 384 K N 0.814 121.166 120.400 -0.080 0.000 2.664 384 K HA -0.070 4.250 4.320 -0.000 0.000 0.193 384 K C 1.293 177.821 176.600 -0.120 0.000 1.028 384 K CA 0.939 57.074 56.287 -0.253 0.000 1.005 384 K CB -0.138 32.286 32.500 -0.127 0.000 0.815 384 K HN -0.037 nan 8.250 nan 0.000 0.496 385 S N -0.530 115.174 115.700 0.007 0.000 2.539 385 S HA 0.027 4.497 4.470 -0.000 0.000 0.221 385 S C 0.950 175.570 174.600 0.034 0.000 0.987 385 S CA -0.541 57.714 58.200 0.091 0.000 0.929 385 S CB -0.133 63.206 63.200 0.231 0.000 0.832 385 S HN 0.351 nan 8.310 nan 0.000 0.492 386 Y N 4.281 124.481 120.300 -0.167 0.000 2.132 386 Y HA -0.177 4.373 4.550 -0.000 0.000 0.280 386 Y C -0.963 174.868 175.900 -0.114 0.000 1.193 386 Y CA 1.936 59.936 58.100 -0.167 0.000 1.157 386 Y CB -1.135 37.107 38.460 -0.364 0.000 0.966 386 Y HN 0.243 nan 8.280 nan 0.000 0.511 387 P HA -0.136 nan 4.420 nan 0.000 0.231 387 P C 1.046 178.268 177.300 -0.130 0.000 1.158 387 P CA 1.540 64.590 63.100 -0.082 0.000 0.763 387 P CB -0.024 31.676 31.700 0.000 0.000 0.805 388 L N -1.264 119.878 121.223 -0.136 0.000 2.547 388 L HA 0.057 4.397 4.340 -0.000 0.000 0.218 388 L C 2.415 179.135 176.870 -0.249 0.000 1.048 388 L CA 0.373 55.115 54.840 -0.163 0.000 0.859 388 L CB 0.039 42.041 42.059 -0.095 0.000 1.128 388 L HN -0.186 nan 8.230 nan 0.000 0.483 389 V N -5.358 114.414 119.914 -0.236 0.000 2.922 389 V HA 0.123 4.243 4.120 -0.000 0.000 0.242 389 V C 1.094 177.043 176.094 -0.242 0.000 1.094 389 V CA -0.260 61.897 62.300 -0.238 0.000 1.106 389 V CB 0.142 31.873 31.823 -0.154 0.000 0.799 389 V HN 0.429 nan 8.190 nan 0.000 0.474 390 C N 1.545 120.567 119.300 -0.464 0.000 4.234 390 C HA -0.121 4.339 4.460 -0.000 0.000 0.308 390 C C 0.162 174.995 174.990 -0.262 0.000 1.286 390 C CA 0.145 58.689 59.018 -0.791 0.000 2.102 390 C CB -2.938 24.500 27.740 -0.503 0.000 1.311 390 C HN 0.648 nan 8.230 nan 0.000 0.689 391 I N 0.738 121.355 120.570 0.078 0.000 2.418 391 I HA 0.565 4.735 4.170 -0.000 0.000 0.287 391 I C 0.756 177.136 176.117 0.438 0.000 1.008 391 I CA -0.261 61.146 61.300 0.179 0.000 1.104 391 I CB 1.382 39.520 38.000 0.231 0.000 1.264 391 I HN 0.470 nan 8.210 nan 0.000 0.438 392 A N 5.038 128.005 122.820 0.246 0.000 2.540 392 A HA 0.052 4.372 4.320 -0.000 0.000 0.239 392 A C 1.415 179.016 177.584 0.029 0.000 1.061 392 A CA -0.054 52.091 52.037 0.180 0.000 0.758 392 A CB 0.360 19.377 19.000 0.027 0.000 0.991 392 A HN 0.849 nan 8.150 nan 0.000 0.502 393 K N 1.411 121.607 120.400 -0.340 0.000 2.089 393 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 393 K C 1.528 177.930 176.600 -0.332 0.000 1.048 393 K CA 2.596 58.444 56.287 -0.733 0.000 0.926 393 K CB -0.273 31.384 32.500 -1.405 0.000 0.714 393 K HN 0.874 nan 8.250 nan 0.000 0.448 394 E N -0.131 119.928 120.200 -0.234 0.000 2.515 394 E HA -0.121 4.229 4.350 -0.000 0.000 0.201 394 E C 1.287 177.844 176.600 -0.072 0.000 1.071 394 E CA 0.553 56.870 56.400 -0.138 0.000 0.880 394 E CB -0.099 29.534 29.700 -0.112 0.000 0.828 394 E HN 0.345 nan 8.360 nan 0.000 0.540 395 L N 0.200 121.397 121.223 -0.044 0.000 2.781 395 L HA 0.112 4.452 4.340 -0.000 0.000 0.245 395 L C 1.842 178.754 176.870 0.069 0.000 1.118 395 L CA -0.237 54.610 54.840 0.012 0.000 0.918 395 L CB 0.166 42.235 42.059 0.016 0.000 1.246 395 L HN 0.124 nan 8.230 nan 0.000 0.526 396 I N 1.148 121.758 120.570 0.067 0.000 2.127 396 I HA -0.167 4.003 4.170 -0.000 0.000 0.241 396 I C -0.124 176.064 176.117 0.119 0.000 1.075 396 I CA 1.753 63.132 61.300 0.132 0.000 1.334 396 I CB -2.392 35.677 38.000 0.115 0.000 1.040 396 I HN 0.131 nan 8.210 nan 0.000 0.405 397 P HA -0.185 nan 4.420 nan 0.000 0.216 397 P C 1.712 179.063 177.300 0.084 0.000 1.150 397 P CA 1.503 64.639 63.100 0.060 0.000 0.843 397 P CB 0.040 31.751 31.700 0.019 0.000 0.787 398 E N -0.501 119.746 120.200 0.080 0.000 2.001 398 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 398 E C 2.061 178.752 176.600 0.152 0.000 1.002 398 E CA 1.336 57.792 56.400 0.095 0.000 0.819 398 E CB -0.647 29.091 29.700 0.065 0.000 0.769 398 E HN 0.020 nan 8.360 nan 0.000 0.454 399 A N 0.310 123.233 122.820 0.171 0.000 1.892 399 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 399 A C 2.379 180.116 177.584 0.255 0.000 1.188 399 A CA 2.480 54.649 52.037 0.219 0.000 0.631 399 A CB -1.295 17.842 19.000 0.229 0.000 0.822 399 A HN 0.423 nan 8.150 nan 0.000 0.447 400 T N -0.535 114.161 114.554 0.236 0.000 2.869 400 T HA -0.149 4.201 4.350 -0.000 0.000 0.270 400 T C 1.723 176.546 174.700 0.206 0.000 1.082 400 T CA 1.767 64.013 62.100 0.243 0.000 1.123 400 T CB -0.172 68.818 68.868 0.203 0.000 0.856 400 T HN 0.630 nan 8.240 nan 0.000 0.499 401 E N 1.312 121.610 120.200 0.164 0.000 2.102 401 E HA 0.036 4.386 4.350 -0.000 0.000 0.190 401 E C 2.056 178.706 176.600 0.084 0.000 0.971 401 E CA 0.888 57.354 56.400 0.111 0.000 0.821 401 E CB -0.159 29.590 29.700 0.082 0.000 0.777 401 E HN 0.303 nan 8.360 nan 0.000 0.460 402 K N -1.247 119.204 120.400 0.085 0.000 2.209 402 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 402 K C 1.168 177.702 176.600 -0.110 0.000 1.048 402 K CA 1.251 57.484 56.287 -0.090 0.000 0.940 402 K CB -0.176 32.142 32.500 -0.303 0.000 0.729 402 K HN 0.171 nan 8.250 nan 0.000 0.451 403 Y N -0.664 119.621 120.300 -0.025 0.000 2.331 403 Y HA 0.223 4.773 4.550 -0.000 0.000 0.282 403 Y C 1.280 177.220 175.900 0.067 0.000 1.140 403 Y CA 0.437 58.557 58.100 0.032 0.000 1.198 403 Y CB 0.041 38.571 38.460 0.116 0.000 1.159 403 Y HN -0.189 nan 8.280 nan 0.000 0.512 404 L N 0.115 121.514 121.223 0.293 0.000 2.693 404 L HA 0.102 4.442 4.340 -0.000 0.000 0.242 404 L C 1.621 178.564 176.870 0.121 0.000 1.157 404 L CA 0.687 55.648 54.840 0.203 0.000 0.929 404 L CB -0.535 41.656 42.059 0.220 0.000 1.103 404 L HN 0.316 nan 8.230 nan 0.000 0.430 405 G N -1.203 107.650 108.800 0.088 0.000 3.126 405 G HA2 0.099 4.059 3.960 -0.000 0.000 0.224 405 G HA3 0.099 4.059 3.960 -0.000 0.000 0.224 405 G C 1.345 176.261 174.900 0.026 0.000 1.142 405 G CA 0.425 45.556 45.100 0.051 0.000 0.759 405 G HN 0.389 nan 8.290 nan 0.000 0.550 406 G N 0.892 109.707 108.800 0.024 0.000 2.484 406 G HA2 0.126 4.086 3.960 -0.000 0.000 0.215 406 G HA3 0.126 4.086 3.960 -0.000 0.000 0.215 406 G C 1.086 175.994 174.900 0.014 0.000 1.219 406 G CA 1.749 46.852 45.100 0.006 0.000 0.791 406 G HN 0.672 nan 8.290 nan 0.000 0.550 407 T N -3.194 111.377 114.554 0.028 0.000 2.676 407 T HA 0.553 4.903 4.350 -0.000 0.000 0.269 407 T C -1.141 173.578 174.700 0.031 0.000 0.952 407 T CA -0.612 61.503 62.100 0.026 0.000 1.040 407 T CB 2.112 70.995 68.868 0.026 0.000 1.352 407 T HN -0.057 nan 8.240 nan 0.000 0.554 408 D N 1.001 121.418 120.400 0.028 0.000 2.943 408 D HA 0.363 5.003 4.640 -0.000 0.000 0.347 408 D C -1.233 175.084 176.300 0.029 0.000 1.305 408 D CA -0.103 53.914 54.000 0.028 0.000 0.870 408 D CB 0.504 41.316 40.800 0.021 0.000 1.081 408 D HN 0.575 nan 8.370 nan 0.000 0.492 409 D N 0.258 120.679 120.400 0.036 0.000 2.476 409 D HA 0.035 4.675 4.640 -0.000 0.000 0.251 409 D C 1.552 177.880 176.300 0.046 0.000 1.291 409 D CA -0.425 53.597 54.000 0.036 0.000 0.939 409 D CB 1.381 42.201 40.800 0.035 0.000 1.221 409 D HN -0.030 nan 8.370 nan 0.000 0.567 410 T N 0.019 114.599 114.554 0.042 0.000 2.760 410 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 410 T C 1.764 176.501 174.700 0.061 0.000 1.047 410 T CA 1.652 63.780 62.100 0.048 0.000 1.139 410 T CB -0.418 68.472 68.868 0.037 0.000 0.855 410 T HN 0.196 nan 8.240 nan 0.000 0.471 411 V N 2.186 122.134 119.914 0.056 0.000 2.216 411 V HA -0.156 3.964 4.120 -0.000 0.000 0.242 411 V C 2.739 178.880 176.094 0.079 0.000 1.042 411 V CA 2.090 64.428 62.300 0.063 0.000 0.991 411 V CB -0.712 31.140 31.823 0.049 0.000 0.633 411 V HN 0.466 nan 8.190 nan 0.000 0.449 412 K N 0.015 120.457 120.400 0.071 0.000 2.286 412 K HA -0.228 4.092 4.320 -0.000 0.000 0.203 412 K C 2.150 178.817 176.600 0.110 0.000 1.045 412 K CA 1.393 57.728 56.287 0.081 0.000 0.935 412 K CB -0.249 32.288 32.500 0.063 0.000 0.737 412 K HN 0.431 nan 8.250 nan 0.000 0.460 413 K N 1.208 121.674 120.400 0.111 0.000 1.973 413 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 413 K C 2.111 178.830 176.600 0.198 0.000 1.047 413 K CA 1.337 57.709 56.287 0.143 0.000 0.937 413 K CB -0.144 32.420 32.500 0.108 0.000 0.721 413 K HN 0.058 nan 8.250 nan 0.000 0.440 414 K N 1.275 121.780 120.400 0.175 0.000 2.013 414 K HA -0.291 4.029 4.320 -0.000 0.000 0.225 414 K C 1.540 178.304 176.600 0.274 0.000 1.056 414 K CA 2.527 58.950 56.287 0.226 0.000 0.971 414 K CB -0.344 32.259 32.500 0.172 0.000 0.731 414 K HN 0.099 nan 8.250 nan 0.000 0.450 415 D N 0.768 121.290 120.400 0.204 0.000 2.190 415 D HA -0.200 4.440 4.640 -0.000 0.000 0.200 415 D C 2.079 178.511 176.300 0.221 0.000 0.992 415 D CA 1.132 55.247 54.000 0.191 0.000 0.854 415 D CB -0.213 40.670 40.800 0.139 0.000 0.936 415 D HN 0.338 nan 8.370 nan 0.000 0.462 416 L N -0.421 120.945 121.223 0.239 0.000 2.056 416 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 416 L C 2.347 179.422 176.870 0.341 0.000 1.078 416 L CA 0.607 55.616 54.840 0.283 0.000 0.749 416 L CB -0.271 41.947 42.059 0.266 0.000 0.901 416 L HN -0.041 nan 8.230 nan 0.000 0.433 417 F N 0.694 120.756 119.950 0.188 0.000 2.134 417 F HA -0.226 4.301 4.527 0.000 0.000 0.299 417 F C 2.179 178.069 175.800 0.150 0.000 1.097 417 F CA 1.493 59.592 58.000 0.164 0.000 1.264 417 F CB -0.218 38.888 39.000 0.177 0.000 1.001 417 F HN -0.103 nan 8.300 nan 0.000 0.479 418 L N -0.344 120.994 121.223 0.192 0.000 2.083 418 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 418 L C 2.240 179.157 176.870 0.077 0.000 1.083 418 L CA 1.591 56.532 54.840 0.167 0.000 0.752 418 L CB -0.861 41.366 42.059 0.281 0.000 0.899 418 L HN 0.110 nan 8.230 nan 0.000 0.433 419 D N 0.079 120.558 120.400 0.132 0.000 2.219 419 D HA -0.154 4.486 4.640 -0.000 0.000 0.205 419 D C 2.116 178.465 176.300 0.082 0.000 0.970 419 D CA 0.754 54.851 54.000 0.161 0.000 0.851 419 D CB 0.238 41.189 40.800 0.251 0.000 0.943 419 D HN 0.197 nan 8.370 nan 0.000 0.488 420 L N 0.888 122.052 121.223 -0.099 0.000 2.005 420 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 420 L C 2.204 178.814 176.870 -0.433 0.000 1.072 420 L CA 1.267 55.833 54.840 -0.457 0.000 0.744 420 L CB -0.970 40.806 42.059 -0.472 0.000 0.895 420 L HN -0.025 nan 8.230 nan 0.000 0.433 421 I N 0.884 121.118 120.570 -0.560 0.000 2.179 421 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 421 I C 2.943 178.768 176.117 -0.487 0.000 1.088 421 I CA 1.219 62.105 61.300 -0.689 0.000 1.357 421 I CB -0.596 36.688 38.000 -1.192 0.000 1.051 421 I HN 0.346 nan 8.210 nan 0.000 0.409 422 A N 0.753 123.415 122.820 -0.263 0.000 1.892 422 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 422 A C 1.887 179.484 177.584 0.022 0.000 1.188 422 A CA 2.490 54.540 52.037 0.021 0.000 0.631 422 A CB -0.820 18.247 19.000 0.111 0.000 0.822 422 A HN 0.373 nan 8.150 nan 0.000 0.447 423 D N -0.739 119.635 120.400 -0.044 0.000 2.149 423 D HA -0.095 4.544 4.640 -0.000 0.000 0.198 423 D C 1.841 177.961 176.300 -0.300 0.000 0.990 423 D CA 1.330 55.305 54.000 -0.042 0.000 0.839 423 D CB -0.206 40.692 40.800 0.164 0.000 0.948 423 D HN 0.225 nan 8.370 nan 0.000 0.460 424 V N 0.300 119.899 119.914 -0.526 0.000 2.591 424 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 424 V C 2.171 177.958 176.094 -0.513 0.000 1.053 424 V CA 1.045 62.908 62.300 -0.728 0.000 1.068 424 V CB -0.211 31.104 31.823 -0.847 0.000 0.689 424 V HN 0.256 nan 8.190 nan 0.000 0.462 425 M N -1.450 117.889 119.600 -0.436 0.000 2.160 425 M HA 0.034 4.514 4.480 -0.000 0.000 0.264 425 M C 1.930 177.812 176.300 -0.697 0.000 1.073 425 M CA 2.075 57.004 55.300 -0.617 0.000 1.142 425 M CB -0.324 31.810 32.600 -0.776 0.000 1.358 425 M HN 0.366 nan 8.290 nan 0.000 0.422 426 F N -0.836 119.007 119.950 -0.178 0.000 2.522 426 F HA 0.380 4.907 4.527 -0.000 0.000 0.275 426 F C 2.474 178.185 175.800 -0.148 0.000 0.890 426 F CA 0.202 58.125 58.000 -0.129 0.000 1.157 426 F CB -1.640 37.327 39.000 -0.055 0.000 1.117 426 F HN 0.096 nan 8.300 nan 0.000 0.787 427 G N 1.688 110.551 108.800 0.106 0.000 2.875 427 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.227 427 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.227 427 G C 1.725 176.592 174.900 -0.054 0.000 1.259 427 G CA 2.631 47.733 45.100 0.003 0.000 0.780 427 G HN 0.194 nan 8.290 nan 0.000 0.685 428 V N 2.543 122.409 119.914 -0.080 0.000 2.250 428 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 428 V C 0.538 176.553 176.094 -0.132 0.000 1.060 428 V CA 2.708 64.953 62.300 -0.091 0.000 1.030 428 V CB -1.455 30.268 31.823 -0.165 0.000 0.643 428 V HN 0.359 nan 8.190 nan 0.000 0.445 429 P HA -0.095 nan 4.420 nan 0.000 0.215 429 P C 2.011 179.232 177.300 -0.132 0.000 1.153 429 P CA 1.786 64.780 63.100 -0.178 0.000 0.853 429 P CB -0.058 31.509 31.700 -0.223 0.000 0.788 430 S N -0.748 114.879 115.700 -0.122 0.000 2.338 430 S HA -0.102 4.368 4.470 -0.000 0.000 0.218 430 S C 2.007 176.496 174.600 -0.186 0.000 1.032 430 S CA 1.291 59.404 58.200 -0.145 0.000 0.999 430 S CB -1.295 61.823 63.200 -0.137 0.000 0.905 430 S HN -0.080 nan 8.310 nan 0.000 0.439 431 V N 2.639 122.449 119.914 -0.172 0.000 2.324 431 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 431 V C 2.054 178.094 176.094 -0.089 0.000 1.060 431 V CA 1.662 63.857 62.300 -0.175 0.000 1.042 431 V CB -0.874 30.897 31.823 -0.086 0.000 0.650 431 V HN 0.449 nan 8.190 nan 0.000 0.450 432 I N -0.482 120.052 120.570 -0.059 0.000 2.179 432 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 432 I C 2.442 178.555 176.117 -0.008 0.000 1.088 432 I CA 1.327 62.616 61.300 -0.018 0.000 1.357 432 I CB -0.553 37.424 38.000 -0.040 0.000 1.051 432 I HN 0.155 nan 8.210 nan 0.000 0.409 433 V N 1.258 121.144 119.914 -0.046 0.000 2.380 433 V HA -0.355 3.765 4.120 -0.000 0.000 0.251 433 V C 2.703 178.803 176.094 0.009 0.000 1.063 433 V CA 2.179 64.475 62.300 -0.008 0.000 1.055 433 V CB -1.006 30.794 31.823 -0.038 0.000 0.657 433 V HN 0.524 nan 8.190 nan 0.000 0.455 434 A N -0.270 122.485 122.820 -0.109 0.000 1.855 434 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 434 A C 2.349 180.023 177.584 0.149 0.000 1.191 434 A CA 1.673 53.639 52.037 -0.119 0.000 0.613 434 A CB -0.535 18.180 19.000 -0.475 0.000 0.829 434 A HN 0.479 nan 8.150 nan 0.000 0.442 435 R N -0.117 120.505 120.500 0.204 0.000 2.113 435 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 435 R C 1.927 178.338 176.300 0.185 0.000 1.142 435 R CA 1.945 58.215 56.100 0.284 0.000 0.953 435 R CB -0.657 29.770 30.300 0.213 0.000 0.860 435 R HN 0.697 nan 8.270 nan 0.000 0.438 436 N N -0.759 118.027 118.700 0.144 0.000 2.381 436 N HA -0.164 4.576 4.740 -0.000 0.000 0.182 436 N C 1.661 177.269 175.510 0.164 0.000 1.025 436 N CA 0.518 53.642 53.050 0.122 0.000 0.888 436 N CB -0.085 38.458 38.487 0.092 0.000 0.965 436 N HN 0.291 nan 8.380 nan 0.000 0.438 437 H N 1.549 120.689 119.070 0.117 0.000 2.307 437 H HA 0.053 4.609 4.556 -0.000 0.000 0.303 437 H C 2.226 177.629 175.328 0.126 0.000 1.073 437 H CA 1.340 57.478 56.048 0.151 0.000 1.338 437 H CB 0.080 29.968 29.762 0.210 0.000 1.389 437 H HN -0.035 nan 8.280 nan 0.000 0.503 438 R N 0.563 121.197 120.500 0.224 0.000 2.103 438 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 438 R C 1.138 177.468 176.300 0.049 0.000 1.142 438 R CA 2.183 58.360 56.100 0.128 0.000 0.960 438 R CB -0.329 30.064 30.300 0.155 0.000 0.858 438 R HN 0.397 nan 8.270 nan 0.000 0.439 439 D N 0.499 120.933 120.400 0.056 0.000 2.178 439 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 439 D C 1.527 177.831 176.300 0.007 0.000 0.980 439 D CA 1.494 55.512 54.000 0.030 0.000 0.842 439 D CB -0.218 40.605 40.800 0.038 0.000 0.948 439 D HN 0.445 nan 8.370 nan 0.000 0.472 440 A N -0.057 122.753 122.820 -0.016 0.000 2.239 440 A HA 0.332 4.652 4.320 -0.000 0.000 0.209 440 A C 1.700 179.254 177.584 -0.050 0.000 1.171 440 A CA 1.031 53.045 52.037 -0.037 0.000 0.768 440 A CB -0.543 18.412 19.000 -0.076 0.000 0.790 440 A HN 0.257 nan 8.150 nan 0.000 0.478 441 G N -1.981 106.795 108.800 -0.039 0.000 2.198 441 G HA2 0.115 4.075 3.960 -0.000 0.000 0.257 441 G HA3 0.115 4.075 3.960 -0.000 0.000 0.257 441 G C 0.216 175.093 174.900 -0.039 0.000 1.042 441 G CA 0.448 45.533 45.100 -0.025 0.000 0.791 441 G HN 1.620 nan 8.290 nan 0.000 0.502 442 A N -0.243 122.525 122.820 -0.088 0.000 2.325 442 A HA 0.892 5.212 4.320 -0.000 0.000 0.333 442 A C -2.174 175.456 177.584 0.078 0.000 1.155 442 A CA -1.752 50.238 52.037 -0.078 0.000 0.814 442 A CB 1.284 20.072 19.000 -0.353 0.000 1.206 442 A HN 0.099 nan 8.150 nan 0.000 0.482 443 P HA 0.211 nan 4.420 nan 0.000 0.263 443 P C -0.509 176.975 177.300 0.307 0.000 1.195 443 P CA 0.822 64.038 63.100 0.195 0.000 0.762 443 P CB 0.616 32.469 31.700 0.254 0.000 0.799 444 T N 3.240 117.859 114.554 0.109 0.000 2.893 444 T HA 0.577 4.927 4.350 -0.000 0.000 0.293 444 T C -1.159 173.413 174.700 -0.214 0.000 1.027 444 T CA -0.269 61.910 62.100 0.132 0.000 0.988 444 T CB 0.873 69.885 68.868 0.240 0.000 1.043 444 T HN 0.107 nan 8.240 nan 0.000 0.461 445 Y N 0.923 121.231 120.300 0.012 0.000 2.504 445 Y HA 0.667 5.217 4.550 -0.000 0.000 0.344 445 Y C -0.183 175.739 175.900 0.036 0.000 1.023 445 Y CA -1.004 57.102 58.100 0.011 0.000 1.020 445 Y CB 2.094 40.312 38.460 -0.403 0.000 1.282 445 Y HN 0.416 nan 8.280 nan 0.000 0.454 446 M N 3.014 122.874 119.600 0.433 0.000 2.690 446 M HA 0.573 5.053 4.480 -0.000 0.000 0.302 446 M C -1.631 174.948 176.300 0.466 0.000 1.234 446 M CA -1.041 54.364 55.300 0.176 0.000 0.853 446 M CB 3.305 35.755 32.600 -0.250 0.000 1.748 446 M HN 0.739 nan 8.290 nan 0.000 0.469 447 Y N -1.283 119.113 120.300 0.160 0.000 2.609 447 Y HA 0.675 5.225 4.550 -0.000 0.000 0.336 447 Y C -1.784 174.166 175.900 0.083 0.000 1.129 447 Y CA -0.916 57.235 58.100 0.085 0.000 1.040 447 Y CB 1.516 39.989 38.460 0.022 0.000 1.310 447 Y HN 0.694 nan 8.280 nan 0.000 0.460 448 E N 3.557 123.978 120.200 0.370 0.000 2.244 448 E HA 0.303 4.653 4.350 -0.000 0.000 0.260 448 E C -2.147 174.728 176.600 0.459 0.000 0.884 448 E CA -0.828 55.739 56.400 0.277 0.000 0.777 448 E CB 1.252 31.062 29.700 0.185 0.000 1.197 448 E HN 0.627 nan 8.360 nan 0.000 0.416 449 F N 4.264 124.436 119.950 0.370 0.000 2.410 449 F HA 0.197 4.724 4.527 -0.000 0.000 0.348 449 F C -0.166 175.748 175.800 0.190 0.000 1.106 449 F CA -0.119 58.045 58.000 0.273 0.000 1.163 449 F CB 0.838 40.025 39.000 0.313 0.000 1.129 449 F HN 0.413 nan 8.300 nan 0.000 0.516 450 Q N 6.822 126.396 119.800 -0.376 0.000 3.429 450 Q HA 0.274 4.614 4.340 -0.000 0.000 0.237 450 Q C -2.028 173.741 176.000 -0.385 0.000 0.932 450 Q CA -0.718 54.929 55.803 -0.260 0.000 0.731 450 Q CB 1.204 29.892 28.738 -0.084 0.000 1.383 450 Q HN 0.735 nan 8.270 nan 0.000 0.446 451 Y N 0.588 120.454 120.300 -0.723 0.000 2.552 451 Y HA 0.495 5.045 4.550 0.000 0.000 0.337 451 Y C -1.729 174.043 175.900 -0.214 0.000 1.094 451 Y CA -0.966 56.833 58.100 -0.500 0.000 1.028 451 Y CB 2.191 40.247 38.460 -0.673 0.000 1.321 451 Y HN 0.502 nan 8.280 nan 0.000 0.456 452 R N 6.801 126.841 120.500 -0.767 0.000 2.310 452 R HA 0.473 4.813 4.340 -0.000 0.000 0.316 452 R C -2.888 173.171 176.300 -0.402 0.000 1.004 452 R CA -2.040 53.823 56.100 -0.396 0.000 0.900 452 R CB 1.028 31.120 30.300 -0.347 0.000 1.152 452 R HN 0.428 nan 8.270 nan 0.000 0.513 453 P HA -0.004 nan 4.420 nan 0.000 0.271 453 P C 0.250 177.348 177.300 -0.337 0.000 1.218 453 P CA -0.088 62.993 63.100 -0.031 0.000 0.780 453 P CB 1.528 33.240 31.700 0.020 0.000 0.901 454 S N 1.056 116.401 115.700 -0.592 0.000 2.515 454 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 454 S C 0.999 175.234 174.600 -0.608 0.000 0.987 454 S CA 0.410 58.238 58.200 -0.619 0.000 0.936 454 S CB -1.154 61.633 63.200 -0.687 0.000 0.766 454 S HN 0.389 nan 8.310 nan 0.000 0.528 455 F N 2.515 122.318 119.950 -0.245 0.000 2.696 455 F HA 0.427 4.954 4.527 -0.000 0.000 0.296 455 F C 1.024 176.666 175.800 -0.264 0.000 1.181 455 F CA -0.611 57.241 58.000 -0.247 0.000 1.411 455 F CB -0.577 38.254 39.000 -0.282 0.000 1.014 455 F HN 0.032 nan 8.300 nan 0.000 0.512 456 S N -0.414 115.199 115.700 -0.145 0.000 2.632 456 S HA 0.218 4.688 4.470 -0.000 0.000 0.267 456 S C 0.415 174.956 174.600 -0.099 0.000 1.276 456 S CA -0.738 57.395 58.200 -0.112 0.000 0.998 456 S CB 1.248 64.343 63.200 -0.175 0.000 0.953 456 S HN 0.268 nan 8.310 nan 0.000 0.547 457 S N 0.454 116.081 115.700 -0.121 0.000 2.562 457 S HA 0.025 4.495 4.470 -0.000 0.000 0.281 457 S C 0.825 175.268 174.600 -0.262 0.000 1.333 457 S CA -0.570 57.545 58.200 -0.142 0.000 1.052 457 S CB 0.102 63.248 63.200 -0.091 0.000 0.884 457 S HN 0.614 nan 8.310 nan 0.000 0.506 458 D N 3.747 124.053 120.400 -0.156 0.000 2.182 458 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 458 D C 1.452 177.623 176.300 -0.215 0.000 0.986 458 D CA 1.501 55.407 54.000 -0.156 0.000 0.847 458 D CB -0.066 40.685 40.800 -0.083 0.000 0.942 458 D HN 0.627 nan 8.370 nan 0.000 0.467 459 M N 0.140 119.596 119.600 -0.240 0.000 2.618 459 M HA -0.015 4.465 4.480 -0.000 0.000 0.240 459 M C 0.833 176.748 176.300 -0.641 0.000 1.123 459 M CA 0.254 55.405 55.300 -0.247 0.000 1.060 459 M CB 0.162 32.771 32.600 0.015 0.000 1.535 459 M HN -0.253 nan 8.290 nan 0.000 0.507 460 K N 3.512 123.328 120.400 -0.974 0.000 2.273 460 K HA 0.197 4.517 4.320 -0.000 0.000 0.287 460 K C -2.179 174.057 176.600 -0.605 0.000 1.089 460 K CA -1.722 53.789 56.287 -1.292 0.000 0.909 460 K CB 0.631 32.437 32.500 -1.158 0.000 1.123 460 K HN -0.060 nan 8.250 nan 0.000 0.473 461 P HA -0.074 nan 4.420 nan 0.000 0.264 461 P C -0.732 176.455 177.300 -0.189 0.000 1.183 461 P CA 0.278 63.245 63.100 -0.223 0.000 0.763 461 P CB 0.622 32.250 31.700 -0.119 0.000 0.807 462 K N 1.051 121.357 120.400 -0.157 0.000 2.574 462 K HA -0.049 4.271 4.320 -0.000 0.000 0.193 462 K C 1.694 178.227 176.600 -0.112 0.000 1.035 462 K CA 1.259 57.459 56.287 -0.145 0.000 0.982 462 K CB -0.529 31.891 32.500 -0.132 0.000 0.795 462 K HN 0.601 nan 8.250 nan 0.000 0.491 463 T N -2.091 112.413 114.554 -0.084 0.000 3.054 463 T HA 0.030 4.380 4.350 -0.000 0.000 0.259 463 T C 0.805 175.482 174.700 -0.039 0.000 1.092 463 T CA -0.171 61.898 62.100 -0.052 0.000 1.121 463 T CB -0.044 68.810 68.868 -0.024 0.000 0.912 463 T HN -0.143 nan 8.240 nan 0.000 0.489 464 V N 2.591 122.482 119.914 -0.039 0.000 2.470 464 V HA 0.403 4.523 4.120 -0.000 0.000 0.276 464 V C 0.038 176.115 176.094 -0.029 0.000 1.040 464 V CA -0.397 61.903 62.300 -0.000 0.000 1.008 464 V CB 0.322 32.172 31.823 0.045 0.000 0.990 464 V HN 0.448 nan 8.190 nan 0.000 0.477 465 I N 4.313 124.871 120.570 -0.019 0.000 2.448 465 I HA 0.610 4.780 4.170 -0.000 0.000 0.281 465 I C 0.769 176.882 176.117 -0.006 0.000 1.027 465 I CA -0.183 61.081 61.300 -0.060 0.000 1.111 465 I CB 1.568 39.504 38.000 -0.106 0.000 1.236 465 I HN 0.844 nan 8.210 nan 0.000 0.452 466 G N 3.592 112.419 108.800 0.045 0.000 2.145 466 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.176 466 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.176 466 G C -0.124 174.904 174.900 0.213 0.000 1.013 466 G CA -0.398 44.786 45.100 0.141 0.000 0.689 466 G HN 0.623 nan 8.290 nan 0.000 0.506 467 D N -0.235 120.295 120.400 0.217 0.000 2.346 467 D HA 0.228 4.868 4.640 -0.000 0.000 0.236 467 D C 0.902 177.376 176.300 0.291 0.000 1.259 467 D CA -0.002 54.148 54.000 0.249 0.000 0.898 467 D CB 0.246 41.219 40.800 0.289 0.000 1.178 467 D HN 0.398 nan 8.370 nan 0.000 0.457 468 H N -0.183 118.987 119.070 0.167 0.000 3.091 468 H HA 0.318 4.874 4.556 -0.000 0.000 0.289 468 H C 1.223 176.719 175.328 0.280 0.000 0.995 468 H CA 1.503 57.635 56.048 0.139 0.000 1.461 468 H CB -0.174 29.649 29.762 0.102 0.000 1.510 468 H HN 0.571 nan 8.280 nan 0.000 0.546 469 G N 4.395 113.104 108.800 -0.152 0.000 2.157 469 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 469 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 469 G C 0.983 176.027 174.900 0.239 0.000 0.979 469 G CA 0.371 45.417 45.100 -0.090 0.000 0.650 469 G HN 0.655 nan 8.290 nan 0.000 0.529 470 D N 0.791 121.414 120.400 0.372 0.000 2.264 470 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 470 D C 2.413 178.984 176.300 0.452 0.000 0.966 470 D CA 1.239 55.581 54.000 0.570 0.000 0.864 470 D CB -0.015 41.154 40.800 0.614 0.000 0.933 470 D HN 0.741 nan 8.370 nan 0.000 0.499 471 E N 1.246 121.380 120.200 -0.110 0.000 2.274 471 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 471 E C 2.177 178.628 176.600 -0.249 0.000 0.996 471 E CA 0.170 56.117 56.400 -0.755 0.000 0.840 471 E CB -0.630 28.464 29.700 -1.011 0.000 0.772 471 E HN 0.307 nan 8.360 nan 0.000 0.491 472 L N -0.021 121.150 121.223 -0.087 0.000 2.043 472 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 472 L C 2.608 179.369 176.870 -0.182 0.000 1.075 472 L CA 1.780 56.516 54.840 -0.174 0.000 0.752 472 L CB -0.715 41.096 42.059 -0.413 0.000 0.891 472 L HN 0.026 nan 8.230 nan 0.000 0.432 473 F N -0.258 119.685 119.950 -0.011 0.000 2.134 473 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 473 F C 2.746 178.541 175.800 -0.009 0.000 1.097 473 F CA 1.426 59.420 58.000 -0.009 0.000 1.264 473 F CB -1.022 38.033 39.000 0.093 0.000 1.001 473 F HN -0.034 nan 8.300 nan 0.000 0.479 474 S N 0.159 115.945 115.700 0.143 0.000 2.348 474 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 474 S C 2.356 176.863 174.600 -0.156 0.000 1.033 474 S CA 1.261 59.453 58.200 -0.013 0.000 1.010 474 S CB -0.774 62.365 63.200 -0.102 0.000 0.891 474 S HN 0.132 nan 8.310 nan 0.000 0.442 475 V N 0.943 120.671 119.914 -0.310 0.000 2.252 475 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 475 V C 1.548 177.452 176.094 -0.317 0.000 1.056 475 V CA 1.711 63.718 62.300 -0.489 0.000 1.022 475 V CB -0.680 30.845 31.823 -0.496 0.000 0.641 475 V HN 0.460 nan 8.190 nan 0.000 0.445 476 F N 0.740 120.536 119.950 -0.256 0.000 2.676 476 F HA 0.414 4.941 4.527 0.000 0.000 0.300 476 F C 1.593 177.341 175.800 -0.086 0.000 1.160 476 F CA 0.318 58.201 58.000 -0.196 0.000 1.401 476 F CB -0.804 38.040 39.000 -0.260 0.000 1.037 476 F HN 0.251 nan 8.300 nan 0.000 0.522 477 G N 0.890 109.763 108.800 0.122 0.000 2.386 477 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.295 477 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.295 477 G C 1.202 176.292 174.900 0.317 0.000 0.979 477 G CA 0.313 45.612 45.100 0.332 0.000 1.193 477 G HN 0.607 nan 8.290 nan 0.000 0.508 478 A N 0.739 123.618 122.820 0.100 0.000 1.898 478 A HA 0.167 4.487 4.320 -0.000 0.000 0.216 478 A C 0.700 178.185 177.584 -0.164 0.000 1.181 478 A CA 1.963 53.928 52.037 -0.119 0.000 0.620 478 A CB -0.743 18.062 19.000 -0.325 0.000 0.819 478 A HN 0.480 nan 8.150 nan 0.000 0.442 479 P HA -0.174 nan 4.420 nan 0.000 0.218 479 P C 0.554 177.597 177.300 -0.428 0.000 1.146 479 P CA 1.206 64.141 63.100 -0.274 0.000 0.820 479 P CB -0.180 31.188 31.700 -0.553 0.000 0.778 480 F N -2.909 117.099 119.950 0.097 0.000 2.765 480 F HA 0.179 4.706 4.527 0.000 0.000 0.302 480 F C 1.810 177.662 175.800 0.087 0.000 1.111 480 F CA 0.413 58.492 58.000 0.130 0.000 1.359 480 F CB -0.474 38.668 39.000 0.237 0.000 1.097 480 F HN -0.151 nan 8.300 nan 0.000 0.577 481 L N -1.166 120.153 121.223 0.159 0.000 2.685 481 L HA 0.230 4.570 4.340 -0.000 0.000 0.235 481 L C 0.559 177.445 176.870 0.027 0.000 1.070 481 L CA 0.214 55.106 54.840 0.086 0.000 0.888 481 L CB 0.172 42.260 42.059 0.047 0.000 1.203 481 L HN -0.189 nan 8.230 nan 0.000 0.499 482 K N 1.269 121.654 120.400 -0.025 0.000 2.138 482 K HA 0.362 4.681 4.320 -0.000 0.000 0.263 482 K C -0.530 176.132 176.600 0.103 0.000 0.965 482 K CA -0.417 55.874 56.287 0.007 0.000 0.868 482 K CB 2.033 34.458 32.500 -0.125 0.000 1.083 482 K HN -0.035 nan 8.250 nan 0.000 0.443 483 E N 0.161 120.427 120.200 0.109 0.000 2.373 483 E HA 0.226 4.576 4.350 -0.000 0.000 0.263 483 E C -0.135 176.538 176.600 0.122 0.000 1.073 483 E CA 0.052 56.511 56.400 0.098 0.000 0.894 483 E CB 0.819 30.560 29.700 0.067 0.000 1.008 483 E HN 0.742 nan 8.360 nan 0.000 0.420 484 G N 0.884 109.728 108.800 0.074 0.000 2.686 484 G HA2 0.058 4.018 3.960 -0.000 0.000 0.211 484 G HA3 0.058 4.018 3.960 -0.000 0.000 0.211 484 G C -0.604 174.313 174.900 0.028 0.000 0.829 484 G CA -0.052 45.071 45.100 0.037 0.000 0.993 484 G HN 0.622 nan 8.290 nan 0.000 0.330 485 A N 2.270 125.088 122.820 -0.003 0.000 2.488 485 A HA 0.956 5.276 4.320 -0.000 0.000 0.295 485 A C 0.309 177.858 177.584 -0.057 0.000 1.045 485 A CA 0.378 52.389 52.037 -0.044 0.000 0.703 485 A CB 1.051 20.087 19.000 0.060 0.000 1.271 485 A HN 2.349 nan 8.150 nan 0.000 0.400 486 S N 1.489 117.144 115.700 -0.074 0.000 2.546 486 S HA 0.163 4.633 4.470 -0.000 0.000 0.290 486 S C 0.930 175.512 174.600 -0.030 0.000 1.290 486 S CA 0.570 58.744 58.200 -0.044 0.000 1.069 486 S CB 1.125 64.304 63.200 -0.035 0.000 0.846 486 S HN 0.954 nan 8.310 nan 0.000 0.495 487 E N 2.092 122.279 120.200 -0.022 0.000 2.187 487 E HA -0.307 4.043 4.350 -0.000 0.000 0.199 487 E C 1.769 178.362 176.600 -0.011 0.000 1.004 487 E CA 2.196 58.586 56.400 -0.016 0.000 0.813 487 E CB -0.379 29.319 29.700 -0.004 0.000 0.736 487 E HN 0.942 nan 8.360 nan 0.000 0.468 488 E N 0.100 120.301 120.200 0.002 0.000 2.110 488 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 488 E C 1.973 178.564 176.600 -0.015 0.000 0.988 488 E CA 1.396 57.806 56.400 0.016 0.000 0.804 488 E CB -0.234 29.499 29.700 0.055 0.000 0.745 488 E HN 0.485 nan 8.360 nan 0.000 0.458 489 E N -0.107 120.087 120.200 -0.011 0.000 2.358 489 E HA -0.053 4.296 4.350 -0.000 0.000 0.195 489 E C 1.900 178.451 176.600 -0.082 0.000 1.010 489 E CA 0.439 56.804 56.400 -0.059 0.000 0.856 489 E CB 0.125 29.839 29.700 0.024 0.000 0.795 489 E HN 0.429 nan 8.360 nan 0.000 0.504 490 I N -0.315 120.204 120.570 -0.084 0.000 2.585 490 I HA -0.097 4.073 4.170 -0.000 0.000 0.254 490 I C 2.292 178.406 176.117 -0.006 0.000 1.129 490 I CA 0.423 61.648 61.300 -0.125 0.000 1.455 490 I CB -0.068 37.854 38.000 -0.131 0.000 1.111 490 I HN -0.043 nan 8.210 nan 0.000 0.433 491 R N 0.465 120.962 120.500 -0.005 0.000 2.115 491 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 491 R C 2.185 178.484 176.300 -0.001 0.000 1.111 491 R CA 1.070 57.179 56.100 0.014 0.000 0.976 491 R CB -0.255 30.052 30.300 0.011 0.000 0.870 491 R HN 0.195 nan 8.270 nan 0.000 0.445 492 L N -0.015 121.176 121.223 -0.053 0.000 2.072 492 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 492 L C 2.175 179.020 176.870 -0.041 0.000 1.079 492 L CA 1.779 56.572 54.840 -0.078 0.000 0.752 492 L CB -0.628 41.273 42.059 -0.263 0.000 0.906 492 L HN 0.056 nan 8.230 nan 0.000 0.436 493 S N -0.861 114.822 115.700 -0.029 0.000 2.368 493 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 493 S C 2.092 176.701 174.600 0.015 0.000 1.029 493 S CA 1.287 59.494 58.200 0.012 0.000 0.988 493 S CB -0.215 63.051 63.200 0.110 0.000 0.838 493 S HN 0.506 nan 8.310 nan 0.000 0.462 494 K N 0.274 120.706 120.400 0.054 0.000 2.057 494 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 494 K C 2.297 178.875 176.600 -0.037 0.000 1.049 494 K CA 1.676 57.952 56.287 -0.019 0.000 0.931 494 K CB -0.279 32.240 32.500 0.031 0.000 0.714 494 K HN 0.459 nan 8.250 nan 0.000 0.440 495 M N 0.693 120.294 119.600 0.002 0.000 2.059 495 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 495 M C 2.054 178.430 176.300 0.126 0.000 1.072 495 M CA 1.534 56.850 55.300 0.028 0.000 1.117 495 M CB -0.022 32.650 32.600 0.119 0.000 1.320 495 M HN -0.074 nan 8.290 nan 0.000 0.408 496 V N 1.063 121.049 119.914 0.121 0.000 2.282 496 V HA -0.373 3.747 4.120 -0.000 0.000 0.249 496 V C 2.416 178.471 176.094 -0.065 0.000 1.057 496 V CA 2.367 64.678 62.300 0.018 0.000 1.032 496 V CB -0.809 30.785 31.823 -0.382 0.000 0.645 496 V HN 0.586 nan 8.190 nan 0.000 0.447 497 M N -1.079 118.425 119.600 -0.160 0.000 2.149 497 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 497 M C 2.376 178.682 176.300 0.010 0.000 1.064 497 M CA 1.621 56.839 55.300 -0.136 0.000 1.102 497 M CB -0.538 31.962 32.600 -0.167 0.000 1.369 497 M HN 0.200 nan 8.290 nan 0.000 0.408 498 K N 0.478 120.872 120.400 -0.010 0.000 2.002 498 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 498 K C 1.769 178.391 176.600 0.037 0.000 1.048 498 K CA 1.717 57.977 56.287 -0.045 0.000 0.930 498 K CB -0.802 31.594 32.500 -0.174 0.000 0.714 498 K HN 0.304 nan 8.250 nan 0.000 0.438 499 F N -0.514 119.548 119.950 0.186 0.000 2.154 499 F HA -0.251 4.276 4.527 -0.000 0.000 0.301 499 F C 2.537 178.500 175.800 0.273 0.000 1.087 499 F CA 1.045 59.204 58.000 0.265 0.000 1.274 499 F CB -0.229 39.078 39.000 0.513 0.000 1.009 499 F HN 0.224 nan 8.300 nan 0.000 0.485 500 W N -0.099 121.268 121.300 0.111 0.000 2.413 500 W HA -0.157 4.503 4.660 -0.000 0.000 0.315 500 W C 2.681 179.180 176.519 -0.032 0.000 1.186 500 W CA 0.873 58.203 57.345 -0.026 0.000 1.326 500 W CB -0.803 28.562 29.460 -0.158 0.000 1.153 500 W HN -0.035 nan 8.180 nan 0.000 0.489 501 A N 0.951 123.876 122.820 0.175 0.000 1.873 501 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 501 A C 1.727 179.338 177.584 0.045 0.000 1.193 501 A CA 2.227 54.300 52.037 0.059 0.000 0.629 501 A CB -1.313 17.702 19.000 0.024 0.000 0.826 501 A HN 0.304 nan 8.150 nan 0.000 0.447 502 N N -1.227 117.508 118.700 0.058 0.000 2.137 502 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 502 N C 1.379 176.897 175.510 0.014 0.000 1.017 502 N CA 1.599 54.662 53.050 0.023 0.000 0.859 502 N CB -0.565 37.932 38.487 0.015 0.000 1.002 502 N HN 0.544 nan 8.380 nan 0.000 0.428 503 F N 1.270 121.142 119.950 -0.131 0.000 2.146 503 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 503 F C 2.142 177.851 175.800 -0.152 0.000 1.096 503 F CA 1.178 59.044 58.000 -0.223 0.000 1.275 503 F CB -0.424 38.367 39.000 -0.349 0.000 1.008 503 F HN 0.023 nan 8.300 nan 0.000 0.480 504 A N 0.320 123.065 122.820 -0.125 0.000 1.968 504 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 504 A C 2.355 179.852 177.584 -0.144 0.000 1.169 504 A CA 1.223 53.163 52.037 -0.161 0.000 0.638 504 A CB -0.546 18.418 19.000 -0.060 0.000 0.812 504 A HN 0.399 nan 8.150 nan 0.000 0.446 505 R N -0.470 119.968 120.500 -0.104 0.000 2.065 505 R HA -0.027 4.312 4.340 -0.000 0.000 0.224 505 R C 1.403 177.635 176.300 -0.113 0.000 1.161 505 R CA 1.527 57.577 56.100 -0.084 0.000 0.923 505 R CB -0.271 29.999 30.300 -0.051 0.000 0.822 505 R HN 0.446 nan 8.270 nan 0.000 0.437 506 N N -1.138 117.490 118.700 -0.120 0.000 2.373 506 N HA 0.033 4.773 4.740 -0.000 0.000 0.181 506 N C 0.814 176.219 175.510 -0.176 0.000 1.082 506 N CA 1.029 54.010 53.050 -0.115 0.000 0.885 506 N CB 1.306 39.750 38.487 -0.071 0.000 0.977 506 N HN 0.517 nan 8.380 nan 0.000 0.462 507 G N 0.891 109.498 108.800 -0.322 0.000 2.176 507 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.253 507 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.253 507 G C -0.059 174.609 174.900 -0.387 0.000 0.979 507 G CA 0.010 44.785 45.100 -0.541 0.000 0.641 507 G HN 0.433 nan 8.290 nan 0.000 0.530 508 N N 0.132 118.711 118.700 -0.202 0.000 2.296 508 N HA 0.476 5.216 4.740 -0.000 0.000 0.294 508 N C -1.302 174.108 175.510 -0.167 0.000 1.033 508 N CA -1.645 51.291 53.050 -0.191 0.000 0.839 508 N CB 2.691 41.127 38.487 -0.085 0.000 1.395 508 N HN -0.037 nan 8.380 nan 0.000 0.479 509 P HA -0.075 nan 4.420 nan 0.000 0.221 509 P C -0.056 177.305 177.300 0.101 0.000 1.150 509 P CA 0.694 63.715 63.100 -0.131 0.000 0.800 509 P CB 0.391 31.725 31.700 -0.609 0.000 0.787 510 N N 0.628 119.338 118.700 0.018 0.000 2.340 510 N HA 0.296 5.036 4.740 -0.000 0.000 0.236 510 N C 0.920 176.438 175.510 0.013 0.000 1.296 510 N CA 1.141 54.236 53.050 0.075 0.000 0.896 510 N CB 0.344 38.874 38.487 0.073 0.000 1.127 510 N HN 0.141 nan 8.380 nan 0.000 0.442 511 G N -0.283 108.522 108.800 0.008 0.000 2.361 511 G HA2 0.066 4.026 3.960 -0.000 0.000 0.299 511 G HA3 0.066 4.026 3.960 -0.000 0.000 0.299 511 G C -1.556 173.337 174.900 -0.011 0.000 1.544 511 G CA -0.810 44.284 45.100 -0.011 0.000 0.860 511 G HN 0.435 nan 8.290 nan 0.000 0.610 512 E N -0.158 120.042 120.200 0.001 0.000 2.652 512 E HA 0.333 4.683 4.350 -0.000 0.000 0.255 512 E C 1.194 177.785 176.600 -0.014 0.000 0.952 512 E CA 1.481 57.885 56.400 0.007 0.000 0.947 512 E CB 0.498 30.204 29.700 0.009 0.000 0.912 512 E HN 1.952 nan 8.360 nan 0.000 0.489 513 G N 3.014 111.813 108.800 -0.001 0.000 2.140 513 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.211 513 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.211 513 G C -0.216 174.662 174.900 -0.037 0.000 1.013 513 G CA -0.426 44.667 45.100 -0.012 0.000 0.705 513 G HN 0.380 nan 8.290 nan 0.000 0.508 514 L N -0.287 120.923 121.223 -0.021 0.000 2.445 514 L HA 0.507 4.847 4.340 -0.000 0.000 0.262 514 L C -2.170 174.787 176.870 0.145 0.000 0.974 514 L CA -2.279 52.541 54.840 -0.033 0.000 0.822 514 L CB 2.333 44.212 42.059 -0.299 0.000 1.339 514 L HN -0.102 nan 8.230 nan 0.000 0.409 515 P HA 0.005 nan 4.420 nan 0.000 0.266 515 P C -0.863 176.665 177.300 0.381 0.000 1.193 515 P CA -0.043 63.223 63.100 0.278 0.000 0.770 515 P CB 0.259 32.116 31.700 0.261 0.000 0.836 516 H N 1.785 120.994 119.070 0.231 0.000 2.815 516 H HA 0.170 4.726 4.556 -0.000 0.000 0.350 516 H C -0.924 174.618 175.328 0.357 0.000 1.080 516 H CA 0.337 56.553 56.048 0.279 0.000 1.433 516 H CB 0.304 30.185 29.762 0.198 0.000 1.432 516 H HN 0.382 nan 8.280 nan 0.000 0.592 517 W N 9.502 130.677 121.300 -0.208 0.000 2.393 517 W HA 0.313 4.973 4.660 -0.000 0.000 0.315 517 W C -2.862 173.627 176.519 -0.049 0.000 1.009 517 W CA -3.252 54.062 57.345 -0.051 0.000 1.313 517 W CB 0.786 30.232 29.460 -0.023 0.000 1.269 517 W HN 0.557 nan 8.180 nan 0.000 0.420 518 P HA 0.026 nan 4.420 nan 0.000 0.272 518 P C -0.313 177.236 177.300 0.414 0.000 1.223 518 P CA 0.249 63.603 63.100 0.424 0.000 0.784 518 P CB 1.409 33.308 31.700 0.332 0.000 0.923 519 E N 1.274 121.547 120.200 0.122 0.000 2.354 519 E HA -0.004 4.346 4.350 -0.000 0.000 0.269 519 E C -0.743 175.816 176.600 -0.069 0.000 1.036 519 E CA -0.569 55.611 56.400 -0.365 0.000 0.876 519 E CB 0.242 29.736 29.700 -0.343 0.000 1.009 519 E HN 0.364 nan 8.360 nan 0.000 0.416 520 Y N 5.540 125.711 120.300 -0.216 0.000 2.889 520 Y HA 0.005 4.555 4.550 -0.000 0.000 0.367 520 Y C 0.067 175.949 175.900 -0.030 0.000 1.197 520 Y CA -0.325 57.755 58.100 -0.033 0.000 1.993 520 Y CB -1.003 37.455 38.460 -0.004 0.000 2.112 520 Y HN 0.488 nan 8.280 nan 0.000 0.413 521 N N -0.821 117.806 118.700 -0.122 0.000 2.376 521 N HA -0.026 4.714 4.740 -0.000 0.000 0.279 521 N C 0.990 176.390 175.510 -0.185 0.000 1.337 521 N CA 0.041 53.025 53.050 -0.110 0.000 0.926 521 N CB -0.011 38.445 38.487 -0.053 0.000 1.081 521 N HN 0.126 nan 8.380 nan 0.000 0.472 522 Q N -0.570 119.165 119.800 -0.109 0.000 2.297 522 Q HA 0.044 4.383 4.340 -0.000 0.000 0.204 522 Q C 1.219 177.149 176.000 -0.116 0.000 0.962 522 Q CA 1.162 56.902 55.803 -0.104 0.000 0.879 522 Q CB -0.258 28.449 28.738 -0.051 0.000 0.947 522 Q HN 0.580 nan 8.270 nan 0.000 0.462 523 K N 0.459 120.798 120.400 -0.103 0.000 2.432 523 K HA -0.013 4.307 4.320 -0.000 0.000 0.196 523 K C -0.012 176.519 176.600 -0.115 0.000 1.038 523 K CA 0.004 56.249 56.287 -0.069 0.000 0.986 523 K CB 0.300 32.788 32.500 -0.021 0.000 0.782 523 K HN 0.150 nan 8.250 nan 0.000 0.485 524 E N 0.216 120.243 120.200 -0.288 0.000 2.297 524 E HA -0.160 4.190 4.350 -0.000 0.000 0.228 524 E C -0.151 176.406 176.600 -0.072 0.000 1.213 524 E CA 0.123 56.185 56.400 -0.564 0.000 0.712 524 E CB -1.471 27.964 29.700 -0.442 0.000 1.202 524 E HN 0.506 nan 8.360 nan 0.000 0.376 525 G N 0.547 109.387 108.800 0.067 0.000 2.448 525 G HA2 0.510 4.470 3.960 -0.000 0.000 0.285 525 G HA3 0.510 4.470 3.960 -0.000 0.000 0.285 525 G C -0.448 174.744 174.900 0.486 0.000 1.176 525 G CA -0.156 45.087 45.100 0.240 0.000 0.852 525 G HN 0.288 nan 8.290 nan 0.000 0.530 526 Y N -0.476 119.962 120.300 0.230 0.000 2.689 526 Y HA 0.743 5.293 4.550 -0.000 0.000 0.333 526 Y C -1.413 174.459 175.900 -0.047 0.000 1.190 526 Y CA -1.757 56.465 58.100 0.203 0.000 1.063 526 Y CB 1.604 40.166 38.460 0.170 0.000 1.294 526 Y HN 0.582 nan 8.280 nan 0.000 0.466 527 L N 1.915 122.940 121.223 -0.330 0.000 2.317 527 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 527 L C -0.703 175.959 176.870 -0.346 0.000 1.024 527 L CA -0.445 53.974 54.840 -0.701 0.000 0.810 527 L CB 1.890 42.927 42.059 -1.702 0.000 1.240 527 L HN 0.804 nan 8.230 nan 0.000 0.427 528 Q N 4.567 124.189 119.800 -0.298 0.000 2.465 528 Q HA 0.481 4.821 4.340 -0.000 0.000 0.237 528 Q C -1.042 174.904 176.000 -0.091 0.000 1.051 528 Q CA -0.208 55.544 55.803 -0.085 0.000 0.874 528 Q CB 0.657 29.344 28.738 -0.085 0.000 1.207 528 Q HN 0.632 nan 8.270 nan 0.000 0.508 529 I N 2.295 122.845 120.570 -0.032 0.000 2.428 529 I HA 0.639 4.809 4.170 -0.000 0.000 0.289 529 I C 0.874 176.992 176.117 0.002 0.000 1.019 529 I CA -0.025 61.274 61.300 -0.002 0.000 1.351 529 I CB 1.282 39.330 38.000 0.081 0.000 1.412 529 I HN 0.733 nan 8.210 nan 0.000 0.513 530 G N 3.010 111.798 108.800 -0.021 0.000 2.360 530 G HA2 0.316 4.276 3.960 -0.000 0.000 0.276 530 G HA3 0.316 4.276 3.960 -0.000 0.000 0.276 530 G C 0.188 175.095 174.900 0.012 0.000 1.256 530 G CA -0.033 45.026 45.100 -0.070 0.000 0.890 530 G HN 0.590 nan 8.290 nan 0.000 0.486 531 A N -0.352 122.540 122.820 0.120 0.000 2.019 531 A HA 0.130 4.450 4.320 -0.000 0.000 0.219 531 A C 0.980 178.595 177.584 0.052 0.000 1.164 531 A CA 1.780 53.891 52.037 0.122 0.000 0.644 531 A CB -0.767 18.330 19.000 0.161 0.000 0.805 531 A HN 0.934 nan 8.150 nan 0.000 0.449 532 N N -0.153 118.567 118.700 0.033 0.000 2.664 532 N HA 0.203 4.943 4.740 -0.000 0.000 0.257 532 N C -1.401 174.115 175.510 0.011 0.000 1.108 532 N CA -0.344 52.719 53.050 0.022 0.000 0.822 532 N CB 1.032 39.529 38.487 0.015 0.000 1.199 532 N HN -0.082 nan 8.380 nan 0.000 0.529 533 T N 2.805 117.371 114.554 0.020 0.000 2.752 533 T HA 0.093 4.443 4.350 -0.000 0.000 0.295 533 T C 0.070 174.767 174.700 -0.004 0.000 0.923 533 T CA -0.082 62.019 62.100 0.002 0.000 1.112 533 T CB 0.495 69.386 68.868 0.039 0.000 0.884 533 T HN 0.538 nan 8.240 nan 0.000 0.525 534 Q N 1.895 121.664 119.800 -0.051 0.000 2.377 534 Q HA 0.662 5.002 4.340 -0.000 0.000 0.279 534 Q C -1.406 174.515 176.000 -0.132 0.000 1.049 534 Q CA -1.168 54.604 55.803 -0.052 0.000 0.825 534 Q CB 1.884 30.604 28.738 -0.030 0.000 1.401 534 Q HN 0.538 nan 8.270 nan 0.000 0.404 535 A N 1.283 124.034 122.820 -0.115 0.000 2.351 535 A HA 0.789 5.109 4.320 -0.000 0.000 0.257 535 A C -0.302 177.137 177.584 -0.243 0.000 1.087 535 A CA 0.515 52.434 52.037 -0.197 0.000 0.798 535 A CB 0.394 19.361 19.000 -0.054 0.000 1.033 535 A HN 1.112 nan 8.150 nan 0.000 0.488 536 A N 0.863 123.407 122.820 -0.459 0.000 2.973 536 A HA 0.850 5.170 4.320 -0.000 0.000 0.267 536 A C -0.508 176.897 177.584 -0.299 0.000 1.210 536 A CA -0.465 51.331 52.037 -0.402 0.000 0.749 536 A CB 0.920 19.628 19.000 -0.487 0.000 1.373 536 A HN 0.847 nan 8.150 nan 0.000 0.585 537 Q N -1.100 118.681 119.800 -0.031 0.000 2.630 537 Q HA 0.426 4.766 4.340 -0.000 0.000 0.295 537 Q C -1.580 174.640 176.000 0.367 0.000 0.944 537 Q CA -1.021 54.910 55.803 0.214 0.000 0.766 537 Q CB 1.858 30.654 28.738 0.097 0.000 1.471 537 Q HN 0.625 nan 8.270 nan 0.000 0.416 538 K N 1.089 121.659 120.400 0.283 0.000 4.007 538 K HA -0.218 4.102 4.320 -0.000 0.000 0.279 538 K C -0.673 176.049 176.600 0.203 0.000 0.919 538 K CA 0.076 56.483 56.287 0.200 0.000 0.800 538 K CB -1.292 31.282 32.500 0.123 0.000 1.572 538 K HN 0.381 nan 8.250 nan 0.000 0.443 539 L N 2.023 123.332 121.223 0.145 0.000 2.410 539 L HA 0.050 4.390 4.340 -0.000 0.000 0.273 539 L C 0.731 177.560 176.870 -0.069 0.000 1.144 539 L CA 0.437 55.156 54.840 -0.200 0.000 0.863 539 L CB 0.457 41.993 42.059 -0.872 0.000 1.140 539 L HN 0.311 nan 8.230 nan 0.000 0.463 540 K N 2.921 123.300 120.400 -0.036 0.000 2.938 540 K HA -0.302 4.018 4.320 -0.000 0.000 0.250 540 K C 0.918 177.563 176.600 0.074 0.000 0.939 540 K CA 1.216 57.521 56.287 0.030 0.000 0.694 540 K CB -1.026 31.478 32.500 0.007 0.000 1.267 540 K HN 0.976 nan 8.250 nan 0.000 0.483 541 D N 0.986 121.433 120.400 0.079 0.000 2.219 541 D HA -0.142 4.498 4.640 -0.000 0.000 0.205 541 D C 1.635 177.994 176.300 0.099 0.000 0.970 541 D CA 1.171 55.228 54.000 0.095 0.000 0.851 541 D CB 0.242 41.097 40.800 0.092 0.000 0.943 541 D HN 0.518 nan 8.370 nan 0.000 0.488 542 K N 0.403 120.855 120.400 0.086 0.000 1.984 542 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 542 K C 2.028 178.710 176.600 0.137 0.000 1.046 542 K CA 1.366 57.697 56.287 0.073 0.000 0.934 542 K CB 0.121 32.629 32.500 0.013 0.000 0.717 542 K HN -0.111 nan 8.250 nan 0.000 0.438 543 E N 0.685 120.997 120.200 0.187 0.000 2.049 543 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 543 E C 2.002 178.877 176.600 0.458 0.000 1.007 543 E CA 1.544 58.173 56.400 0.382 0.000 0.809 543 E CB -0.592 29.429 29.700 0.535 0.000 0.749 543 E HN 0.083 nan 8.360 nan 0.000 0.450 544 V N 1.414 121.515 119.914 0.312 0.000 2.223 544 V HA -0.400 3.720 4.120 -0.000 0.000 0.253 544 V C 2.280 178.490 176.094 0.193 0.000 1.061 544 V CA 2.443 64.874 62.300 0.218 0.000 1.035 544 V CB -1.179 30.718 31.823 0.123 0.000 0.653 544 V HN 0.455 nan 8.190 nan 0.000 0.454 545 A N -1.007 121.907 122.820 0.156 0.000 1.948 545 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 545 A C 2.071 179.736 177.584 0.135 0.000 1.177 545 A CA 2.466 54.575 52.037 0.121 0.000 0.636 545 A CB -0.743 18.320 19.000 0.105 0.000 0.815 545 A HN 0.617 nan 8.150 nan 0.000 0.449 546 F N -1.107 118.857 119.950 0.024 0.000 2.039 546 F HA -0.111 4.416 4.527 -0.000 0.000 0.294 546 F C 2.031 177.801 175.800 -0.049 0.000 1.130 546 F CA 1.666 59.632 58.000 -0.057 0.000 1.189 546 F CB -0.776 38.130 39.000 -0.156 0.000 0.983 546 F HN 0.351 nan 8.300 nan 0.000 0.471 547 W N 1.067 122.325 121.300 -0.070 0.000 2.321 547 W HA -0.223 4.437 4.660 -0.000 0.000 0.306 547 W C 2.615 179.015 176.519 -0.200 0.000 1.217 547 W CA 2.205 59.428 57.345 -0.204 0.000 1.257 547 W CB -1.165 28.243 29.460 -0.086 0.000 1.145 547 W HN -0.038 nan 8.180 nan 0.000 0.509 548 T N 0.430 115.023 114.554 0.065 0.000 2.737 548 T HA -0.263 4.087 4.350 -0.000 0.000 0.269 548 T C 1.393 176.123 174.700 0.050 0.000 1.040 548 T CA 1.748 63.862 62.100 0.023 0.000 1.142 548 T CB -0.496 68.386 68.868 0.022 0.000 0.861 548 T HN 0.185 nan 8.240 nan 0.000 0.456 549 N N 1.209 119.886 118.700 -0.037 0.000 2.109 549 N HA 0.013 4.753 4.740 -0.000 0.000 0.188 549 N C 1.809 177.273 175.510 -0.075 0.000 1.034 549 N CA 0.631 53.644 53.050 -0.061 0.000 0.846 549 N CB -0.745 37.678 38.487 -0.107 0.000 1.010 549 N HN 0.223 nan 8.380 nan 0.000 0.425 550 L N 0.356 121.439 121.223 -0.234 0.000 2.263 550 L HA -0.040 4.300 4.340 -0.000 0.000 0.216 550 L C 1.551 178.481 176.870 0.100 0.000 1.111 550 L CA 1.313 56.053 54.840 -0.166 0.000 0.773 550 L CB -0.619 41.196 42.059 -0.407 0.000 0.906 550 L HN -0.036 nan 8.230 nan 0.000 0.439 551 F N -0.287 119.643 119.950 -0.033 0.000 2.512 551 F HA 0.261 4.788 4.527 -0.000 0.000 0.296 551 F C 2.108 177.911 175.800 0.004 0.000 1.110 551 F CA 0.398 58.413 58.000 0.025 0.000 1.446 551 F CB -0.558 38.472 39.000 0.049 0.000 1.092 551 F HN 0.121 nan 8.300 nan 0.000 0.554 552 A N 0.811 123.713 122.820 0.136 0.000 2.604 552 A HA 0.150 4.470 4.320 -0.000 0.000 0.248 552 A C 0.908 178.505 177.584 0.022 0.000 1.466 552 A CA 0.055 52.133 52.037 0.067 0.000 1.222 552 A CB -1.159 17.870 19.000 0.048 0.000 0.945 552 A HN 0.345 nan 8.150 nan 0.000 0.600 553 K N 0.000 120.400 120.400 -0.000 0.000 2.780 553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 553 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 553 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543