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 3iro_1_B DATA FIRST_RESID 3 DATA SEQUENCE LFKIRMPETV AEGTRLALRA FSLVVAVDEH GGIGDGRSIP WNVPEDMKFF DATA SEQUENCE RDLTTKLRGK NVKPSPAKRN AVVMGRKTWD SIPPKFRPLP GRLNVVLSST DATA SEQUENCE LTTQHLLDGL PDEEKRNLHA DSIVAVNGGL EQALRLLASP NYTPSIETVY DATA SEQUENCE CIGGGSVYAE ALRPPCVHLL QAIYRTTIRA SESSCSVFFR VPESGTEAAA DATA SEQUENCE GIEWQRETIS EELTSANGNE TKYYFEKLIP RNREEEQYLS LVDRIIREGN DATA SEQUENCE VKHDRTGVGT LSIFGAQMRF SLRNNRLPLL TTKRVFWRGV CEELLWFLRG DATA SEQUENCE ETYAKKLSDK GVHIWDDNGS RAFLDSRGLT EYEEMDLGPV YGFQWRHFGA DATA SEQUENCE AYTHHDANYD GQGVDQIKAI VETLKTNPDD RRMLFTAWNP SALPRMALPP DATA SEQUENCE CHLLAQFYVS NGELSCMLYQ RSCDMGLGVP FNIASYALLT ILIAKATGLR DATA SEQUENCE PGELVHTLGD AHVYSNHVEP CNEQLKRVPR AFPYLVFRRE REFLEDYEEG DATA SEQUENCE DMEVIDYAPY PPISM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.616 176.870 -0.423 0.000 1.165 3 L CA 0.000 54.602 54.840 -0.397 0.000 0.813 3 L CB 0.000 41.667 42.059 -0.654 0.000 0.961 4 F N 0.875 120.778 119.950 -0.077 0.000 2.602 4 F HA 0.267 5.111 4.527 0.528 0.000 0.284 4 F C 0.972 176.734 175.800 -0.063 0.000 1.111 4 F CA -0.377 57.594 58.000 -0.048 0.000 1.405 4 F CB 0.441 39.421 39.000 -0.034 0.000 1.121 4 F HN -0.213 nan 8.300 nan 0.000 0.603 5 K N 1.533 121.939 120.400 0.009 0.000 2.154 5 K HA 0.361 4.999 4.320 0.530 0.000 0.264 5 K C -0.397 176.269 176.600 0.110 0.000 1.008 5 K CA -0.369 55.894 56.287 -0.039 0.000 0.937 5 K CB 1.300 33.580 32.500 -0.365 0.000 1.002 5 K HN 0.005 nan 8.250 nan 0.000 0.469 6 I N 2.806 123.498 120.570 0.203 0.000 2.322 6 I HA 0.077 4.565 4.170 0.530 0.000 0.292 6 I C 0.622 176.967 176.117 0.381 0.000 1.060 6 I CA -0.274 61.162 61.300 0.227 0.000 1.309 6 I CB 0.478 38.552 38.000 0.124 0.000 1.415 6 I HN 0.419 nan 8.210 nan 0.000 0.492 7 R N 7.898 128.608 120.500 0.350 0.000 2.296 7 R HA 0.213 4.872 4.340 0.530 0.000 0.323 7 R C -0.165 176.110 176.300 -0.042 0.000 1.067 7 R CA -0.718 55.425 56.100 0.070 0.000 0.946 7 R CB 0.534 30.855 30.300 0.035 0.000 0.991 7 R HN 0.482 nan 8.270 nan 0.000 0.448 8 M N 6.413 125.956 119.600 -0.095 0.000 2.249 8 M HA 0.111 4.909 4.480 0.530 0.000 0.340 8 M C -1.721 174.528 176.300 -0.085 0.000 1.166 8 M CA -1.782 53.488 55.300 -0.051 0.000 1.115 8 M CB 0.157 32.757 32.600 -0.000 0.000 1.606 8 M HN 0.558 nan 8.290 nan 0.000 0.448 9 P HA 0.156 nan 4.420 nan 0.000 0.275 9 P C -0.338 176.924 177.300 -0.063 0.000 1.266 9 P CA -0.106 62.958 63.100 -0.061 0.000 0.793 9 P CB 0.467 32.137 31.700 -0.051 0.000 1.074 10 E N -0.813 119.354 120.200 -0.055 0.000 2.516 10 E HA -0.067 4.601 4.350 0.530 0.000 0.199 10 E C 1.489 178.064 176.600 -0.043 0.000 1.069 10 E CA 1.117 57.487 56.400 -0.050 0.000 0.876 10 E CB -0.772 28.902 29.700 -0.043 0.000 0.843 10 E HN 0.587 nan 8.360 nan 0.000 0.530 11 T N -3.063 111.465 114.554 -0.044 0.000 3.037 11 T HA 0.036 4.704 4.350 0.530 0.000 0.252 11 T C 1.897 176.568 174.700 -0.048 0.000 1.073 11 T CA 0.289 62.366 62.100 -0.039 0.000 1.091 11 T CB -0.228 68.618 68.868 -0.036 0.000 0.935 11 T HN 0.051 nan 8.240 nan 0.000 0.488 12 V N 2.680 122.558 119.914 -0.059 0.000 2.408 12 V HA -0.435 4.004 4.120 0.530 0.000 0.236 12 V C 2.605 178.638 176.094 -0.102 0.000 1.064 12 V CA 3.163 65.417 62.300 -0.077 0.000 1.095 12 V CB -1.609 30.184 31.823 -0.050 0.000 0.921 12 V HN 0.740 nan 8.190 nan 0.000 0.474 13 A N -1.370 121.410 122.820 -0.068 0.000 1.930 13 A HA -0.067 4.571 4.320 0.530 0.000 0.215 13 A C 1.895 179.464 177.584 -0.025 0.000 1.176 13 A CA 1.239 53.245 52.037 -0.051 0.000 0.632 13 A CB -0.566 18.425 19.000 -0.015 0.000 0.819 13 A HN 0.731 nan 8.150 nan 0.000 0.445 14 E N 0.238 120.426 120.200 -0.020 0.000 2.333 14 E HA -0.158 4.510 4.350 0.530 0.000 0.200 14 E C 1.898 178.496 176.600 -0.003 0.000 1.010 14 E CA 1.013 57.409 56.400 -0.006 0.000 0.841 14 E CB -0.692 29.002 29.700 -0.010 0.000 0.757 14 E HN 0.608 nan 8.360 nan 0.000 0.508 15 G N 0.978 109.766 108.800 -0.020 0.000 2.394 15 G HA2 -0.184 4.094 3.960 0.530 0.000 0.214 15 G HA3 -0.184 4.094 3.960 0.530 0.000 0.214 15 G C 1.467 176.377 174.900 0.017 0.000 1.176 15 G CA 1.298 46.390 45.100 -0.014 0.000 0.786 15 G HN 0.380 nan 8.290 nan 0.000 0.533 16 T N -1.725 112.844 114.554 0.026 0.000 3.214 16 T HA 0.367 5.035 4.350 0.530 0.000 0.264 16 T C 0.730 175.500 174.700 0.117 0.000 1.012 16 T CA -0.619 61.540 62.100 0.098 0.000 0.901 16 T CB 0.276 69.259 68.868 0.191 0.000 1.070 16 T HN 0.189 nan 8.240 nan 0.000 0.561 17 R N 1.590 122.135 120.500 0.076 0.000 2.458 17 R HA 0.206 4.864 4.340 0.530 0.000 0.303 17 R C -0.221 176.124 176.300 0.075 0.000 1.013 17 R CA -0.571 55.574 56.100 0.075 0.000 1.026 17 R CB -0.044 30.285 30.300 0.048 0.000 0.948 17 R HN 0.283 nan 8.270 nan 0.000 0.417 18 L N 5.934 127.203 121.223 0.077 0.000 2.600 18 L HA 0.109 4.767 4.340 0.530 0.000 0.278 18 L C 1.015 177.909 176.870 0.040 0.000 1.139 18 L CA 0.668 55.544 54.840 0.060 0.000 0.933 18 L CB 0.613 42.697 42.059 0.043 0.000 1.266 18 L HN 0.889 nan 8.230 nan 0.000 0.471 19 A N 6.113 128.959 122.820 0.044 0.000 1.865 19 A HA 0.046 4.684 4.320 0.530 0.000 0.217 19 A C 0.707 178.303 177.584 0.020 0.000 1.191 19 A CA 1.273 53.332 52.037 0.036 0.000 0.623 19 A CB -0.340 18.689 19.000 0.049 0.000 0.826 19 A HN 0.612 nan 8.150 nan 0.000 0.444 20 L N -1.602 119.626 121.223 0.009 0.000 2.455 20 L HA 0.487 5.145 4.340 0.530 0.000 0.264 20 L C -0.380 176.454 176.870 -0.059 0.000 0.968 20 L CA -1.127 53.705 54.840 -0.013 0.000 0.827 20 L CB 1.952 44.017 42.059 0.011 0.000 1.317 20 L HN 0.185 nan 8.230 nan 0.000 0.407 21 R N 2.147 122.608 120.500 -0.065 0.000 2.438 21 R HA 0.595 5.253 4.340 0.530 0.000 0.287 21 R C -0.023 176.238 176.300 -0.065 0.000 1.077 21 R CA 0.260 56.301 56.100 -0.099 0.000 1.034 21 R CB 1.042 31.315 30.300 -0.046 0.000 0.993 21 R HN 0.730 nan 8.270 nan 0.000 0.459 22 A N 3.771 126.481 122.820 -0.182 0.000 2.325 22 A HA 0.538 5.176 4.320 0.530 0.000 0.260 22 A C -0.430 177.317 177.584 0.272 0.000 1.133 22 A CA 0.430 52.473 52.037 0.009 0.000 0.801 22 A CB -0.134 18.764 19.000 -0.171 0.000 1.092 22 A HN 0.857 nan 8.150 nan 0.000 0.504 23 F N -3.416 116.521 119.950 -0.021 0.000 2.829 23 F HA 0.591 5.436 4.527 0.529 0.000 0.319 23 F C -0.530 175.277 175.800 0.013 0.000 1.153 23 F CA -0.738 57.237 58.000 -0.042 0.000 0.912 23 F CB 0.450 39.433 39.000 -0.028 0.000 1.292 23 F HN 0.481 nan 8.300 nan 0.000 0.447 24 S N 1.664 117.238 115.700 -0.210 0.000 2.747 24 S HA 0.811 5.599 4.470 0.530 0.000 0.300 24 S C -1.372 173.287 174.600 0.099 0.000 1.121 24 S CA -0.902 57.219 58.200 -0.132 0.000 0.995 24 S CB 1.835 65.061 63.200 0.043 0.000 1.113 24 S HN 0.817 nan 8.310 nan 0.000 0.547 25 L N 1.502 122.883 121.223 0.262 0.000 2.436 25 L HA 0.681 5.340 4.340 0.530 0.000 0.268 25 L C -1.891 175.264 176.870 0.476 0.000 0.974 25 L CA -0.638 54.439 54.840 0.395 0.000 0.826 25 L CB 1.495 43.727 42.059 0.289 0.000 1.291 25 L HN 0.432 nan 8.230 nan 0.000 0.406 26 V N 5.441 125.649 119.914 0.489 0.000 2.448 26 V HA 0.694 5.132 4.120 0.530 0.000 0.295 26 V C -0.400 175.823 176.094 0.215 0.000 1.025 26 V CA -0.497 62.049 62.300 0.411 0.000 0.859 26 V CB 1.821 33.925 31.823 0.469 0.000 0.988 26 V HN 0.548 nan 8.190 nan 0.000 0.431 27 V N 3.447 123.359 119.914 -0.003 0.000 3.216 27 V HA 0.961 5.399 4.120 0.530 0.000 0.302 27 V C -0.984 174.962 176.094 -0.247 0.000 1.286 27 V CA -0.174 61.973 62.300 -0.254 0.000 1.048 27 V CB 2.620 33.888 31.823 -0.926 0.000 1.081 27 V HN 1.137 nan 8.190 nan 0.000 0.442 28 A N 2.779 125.458 122.820 -0.236 0.000 2.371 28 A HA 0.920 5.558 4.320 0.530 0.000 0.311 28 A C -1.208 176.283 177.584 -0.155 0.000 1.068 28 A CA -0.265 51.666 52.037 -0.177 0.000 0.744 28 A CB 1.777 20.742 19.000 -0.060 0.000 1.239 28 A HN 1.718 nan 8.150 nan 0.000 0.435 29 V N 2.243 122.035 119.914 -0.203 0.000 3.007 29 V HA 0.701 5.139 4.120 0.530 0.000 0.311 29 V C -1.396 174.521 176.094 -0.294 0.000 1.120 29 V CA -0.650 61.550 62.300 -0.166 0.000 0.980 29 V CB 2.233 33.956 31.823 -0.167 0.000 1.033 29 V HN 1.122 nan 8.190 nan 0.000 0.429 30 D N 2.357 122.580 120.400 -0.296 0.000 2.432 30 D HA 0.265 5.223 4.640 0.530 0.000 0.258 30 D C 0.751 176.823 176.300 -0.380 0.000 1.146 30 D CA -0.295 53.401 54.000 -0.507 0.000 1.015 30 D CB 0.769 41.246 40.800 -0.539 0.000 1.107 30 D HN 0.627 nan 8.370 nan 0.000 0.529 31 E N -1.398 118.533 120.200 -0.449 0.000 2.233 31 E HA -0.228 4.440 4.350 0.530 0.000 0.199 31 E C 0.942 177.383 176.600 -0.264 0.000 1.004 31 E CA 1.033 57.214 56.400 -0.365 0.000 0.819 31 E CB -0.085 29.361 29.700 -0.423 0.000 0.738 31 E HN 0.427 nan 8.360 nan 0.000 0.478 32 H N -1.457 117.544 119.070 -0.114 0.000 2.539 32 H HA 0.162 5.036 4.556 0.530 0.000 0.269 32 H C 1.471 176.734 175.328 -0.109 0.000 0.980 32 H CA 0.800 56.807 56.048 -0.068 0.000 1.152 32 H CB 0.897 30.598 29.762 -0.101 0.000 1.407 32 H HN 0.332 nan 8.280 nan 0.000 0.564 33 G N 0.355 109.133 108.800 -0.037 0.000 2.176 33 G HA2 -0.246 4.032 3.960 0.530 0.000 0.253 33 G HA3 -0.246 4.032 3.960 0.530 0.000 0.253 33 G C 0.911 175.718 174.900 -0.155 0.000 0.979 33 G CA 0.173 45.271 45.100 -0.003 0.000 0.641 33 G HN 0.743 nan 8.290 nan 0.000 0.530 34 G N -0.145 108.444 108.800 -0.351 0.000 2.527 34 G HA2 0.590 4.868 3.960 0.530 0.000 0.248 34 G HA3 0.590 4.868 3.960 0.530 0.000 0.248 34 G C 1.185 176.066 174.900 -0.032 0.000 1.231 34 G CA 0.062 44.959 45.100 -0.337 0.000 0.838 34 G HN 1.209 nan 8.290 nan 0.000 0.570 35 I N -0.666 119.915 120.570 0.018 0.000 3.718 35 I HA 0.621 5.109 4.170 0.530 0.000 0.297 35 I C 0.783 176.914 176.117 0.024 0.000 1.220 35 I CA 0.279 61.620 61.300 0.068 0.000 1.381 35 I CB 0.622 38.668 38.000 0.077 0.000 1.238 35 I HN 0.809 nan 8.210 nan 0.000 0.448 36 G N 1.018 109.802 108.800 -0.026 0.000 2.339 36 G HA2 0.081 4.359 3.960 0.530 0.000 0.302 36 G HA3 0.081 4.359 3.960 0.530 0.000 0.302 36 G C -2.336 172.521 174.900 -0.071 0.000 1.425 36 G CA -0.509 44.507 45.100 -0.138 0.000 0.899 36 G HN 0.125 nan 8.290 nan 0.000 0.619 37 D N 0.343 120.687 120.400 -0.095 0.000 2.427 37 D HA 0.502 5.460 4.640 0.530 0.000 0.226 37 D C 1.475 177.748 176.300 -0.046 0.000 1.076 37 D CA 1.191 55.164 54.000 -0.045 0.000 0.849 37 D CB 0.861 41.639 40.800 -0.037 0.000 1.052 37 D HN 1.540 nan 8.370 nan 0.000 0.515 38 G N 5.419 114.206 108.800 -0.022 0.000 4.728 38 G HA2 -0.402 3.876 3.960 0.530 0.000 0.233 38 G HA3 -0.402 3.876 3.960 0.530 0.000 0.233 38 G C 0.779 175.658 174.900 -0.036 0.000 1.486 38 G CA 1.004 46.093 45.100 -0.020 0.000 1.349 38 G HN 0.572 nan 8.290 nan 0.000 0.779 39 R N 0.046 120.514 120.500 -0.055 0.000 2.668 39 R HA 0.711 5.369 4.340 0.530 0.000 0.435 39 R C -0.003 176.237 176.300 -0.099 0.000 1.059 39 R CA 0.676 56.737 56.100 -0.065 0.000 1.073 39 R CB 0.947 31.217 30.300 -0.049 0.000 1.401 39 R HN 0.667 nan 8.270 nan 0.000 0.590 40 S N 0.509 116.127 115.700 -0.136 0.000 2.586 40 S HA 0.419 5.207 4.470 0.530 0.000 0.277 40 S C -1.419 172.998 174.600 -0.305 0.000 1.131 40 S CA -0.982 57.102 58.200 -0.193 0.000 0.848 40 S CB 0.700 63.797 63.200 -0.172 0.000 1.091 40 S HN 0.374 nan 8.310 nan 0.000 0.453 41 I N 1.697 122.036 120.570 -0.384 0.000 2.578 41 I HA 0.495 4.983 4.170 0.530 0.000 0.284 41 I C -2.108 173.563 176.117 -0.743 0.000 1.156 41 I CA -2.193 58.713 61.300 -0.657 0.000 1.165 41 I CB 0.706 38.389 38.000 -0.527 0.000 1.567 41 I HN 0.315 nan 8.210 nan 0.000 0.546 42 P HA -0.223 nan 4.420 nan 0.000 0.224 42 P C 0.086 177.220 177.300 -0.278 0.000 1.153 42 P CA 1.964 64.822 63.100 -0.403 0.000 0.947 42 P CB -0.181 31.325 31.700 -0.324 0.000 0.790 43 W N -0.573 120.675 121.300 -0.086 0.000 2.215 43 W HA 0.550 5.528 4.660 0.530 0.000 0.342 43 W C -0.334 176.117 176.519 -0.113 0.000 1.237 43 W CA -0.834 56.454 57.345 -0.096 0.000 1.283 43 W CB -0.350 29.045 29.460 -0.109 0.000 1.131 43 W HN -0.199 nan 8.180 nan 0.000 0.606 44 N N 0.910 119.722 118.700 0.186 0.000 2.571 44 N HA 0.330 5.388 4.740 0.530 0.000 0.286 44 N C -2.273 173.248 175.510 0.018 0.000 1.138 44 N CA -0.563 52.528 53.050 0.067 0.000 0.859 44 N CB 1.692 40.171 38.487 -0.013 0.000 1.414 44 N HN 0.379 nan 8.380 nan 0.000 0.529 45 V N 6.475 126.367 119.914 -0.037 0.000 2.294 45 V HA 0.351 4.789 4.120 0.530 0.000 0.272 45 V C -1.147 174.849 176.094 -0.163 0.000 1.027 45 V CA -1.390 60.807 62.300 -0.171 0.000 0.823 45 V CB 1.308 32.896 31.823 -0.391 0.000 1.030 45 V HN 0.632 nan 8.190 nan 0.000 0.457 46 P HA -0.236 nan 4.420 nan 0.000 0.218 46 P C 1.156 178.431 177.300 -0.041 0.000 1.154 46 P CA 1.506 64.574 63.100 -0.053 0.000 0.872 46 P CB 0.693 32.379 31.700 -0.023 0.000 0.790 47 E N -0.082 120.069 120.200 -0.082 0.000 2.051 47 E HA -0.192 4.477 4.350 0.530 0.000 0.192 47 E C 1.942 178.592 176.600 0.084 0.000 0.991 47 E CA 1.685 58.096 56.400 0.019 0.000 0.799 47 E CB -1.089 28.641 29.700 0.049 0.000 0.748 47 E HN 0.361 nan 8.360 nan 0.000 0.449 48 D N -0.652 119.672 120.400 -0.127 0.000 2.097 48 D HA -0.174 4.784 4.640 0.530 0.000 0.195 48 D C 1.768 178.151 176.300 0.138 0.000 0.989 48 D CA 1.234 55.218 54.000 -0.027 0.000 0.827 48 D CB 0.046 40.693 40.800 -0.255 0.000 0.966 48 D HN -0.010 nan 8.370 nan 0.000 0.456 49 M N 0.412 120.037 119.600 0.041 0.000 2.106 49 M HA -0.167 4.631 4.480 0.530 0.000 0.259 49 M C 2.242 178.622 176.300 0.133 0.000 1.068 49 M CA 1.416 56.755 55.300 0.065 0.000 1.100 49 M CB -0.972 31.614 32.600 -0.024 0.000 1.351 49 M HN 0.168 nan 8.290 nan 0.000 0.404 50 K N -0.488 119.980 120.400 0.112 0.000 2.025 50 K HA -0.192 4.446 4.320 0.530 0.000 0.207 50 K C 2.041 178.714 176.600 0.121 0.000 1.049 50 K CA 1.301 57.642 56.287 0.089 0.000 0.933 50 K CB -0.331 32.219 32.500 0.084 0.000 0.714 50 K HN 0.132 nan 8.250 nan 0.000 0.438 51 F N 1.137 121.136 119.950 0.083 0.000 2.091 51 F HA -0.285 4.560 4.527 0.530 0.000 0.299 51 F C 1.972 177.785 175.800 0.022 0.000 1.103 51 F CA 1.802 59.850 58.000 0.081 0.000 1.228 51 F CB -0.559 38.629 39.000 0.313 0.000 0.984 51 F HN 0.115 nan 8.300 nan 0.000 0.477 52 F N 1.159 121.173 119.950 0.107 0.000 2.046 52 F HA -0.211 4.634 4.527 0.530 0.000 0.297 52 F C 2.640 178.316 175.800 -0.205 0.000 1.123 52 F CA 2.175 60.135 58.000 -0.067 0.000 1.199 52 F CB -0.911 38.081 39.000 -0.013 0.000 0.972 52 F HN -0.089 nan 8.300 nan 0.000 0.474 53 R N 1.218 121.555 120.500 -0.272 0.000 2.115 53 R HA -0.210 4.448 4.340 0.530 0.000 0.239 53 R C 2.055 178.116 176.300 -0.399 0.000 1.133 53 R CA 2.510 58.398 56.100 -0.353 0.000 0.935 53 R CB -1.275 28.940 30.300 -0.143 0.000 0.853 53 R HN 0.402 nan 8.270 nan 0.000 0.433 54 D N -0.107 120.098 120.400 -0.324 0.000 2.084 54 D HA -0.166 4.792 4.640 0.530 0.000 0.194 54 D C 1.927 177.948 176.300 -0.465 0.000 0.990 54 D CA 1.396 55.198 54.000 -0.330 0.000 0.826 54 D CB -0.450 40.188 40.800 -0.269 0.000 0.971 54 D HN 0.168 nan 8.370 nan 0.000 0.453 55 L N 1.344 122.164 121.223 -0.672 0.000 1.944 55 L HA -0.215 4.443 4.340 0.530 0.000 0.218 55 L C 2.553 178.903 176.870 -0.865 0.000 1.075 55 L CA 2.930 57.280 54.840 -0.816 0.000 0.767 55 L CB -1.482 39.929 42.059 -1.080 0.000 0.890 55 L HN 0.156 nan 8.230 nan 0.000 0.434 56 T N -5.033 108.874 114.554 -1.079 0.000 2.897 56 T HA -0.135 4.533 4.350 0.530 0.000 0.271 56 T C 1.494 175.883 174.700 -0.518 0.000 1.084 56 T CA 1.767 63.206 62.100 -1.102 0.000 1.123 56 T CB -0.854 67.396 68.868 -1.030 0.000 0.865 56 T HN 0.505 nan 8.240 nan 0.000 0.496 57 T N 0.511 114.813 114.554 -0.419 0.000 3.046 57 T HA 0.205 4.873 4.350 0.530 0.000 0.242 57 T C 0.790 175.406 174.700 -0.139 0.000 1.018 57 T CA 0.036 62.001 62.100 -0.225 0.000 1.131 57 T CB 0.157 68.901 68.868 -0.206 0.000 0.904 57 T HN 0.411 nan 8.240 nan 0.000 0.459 58 K N 1.285 121.586 120.400 -0.164 0.000 2.319 58 K HA 0.427 5.065 4.320 0.530 0.000 0.265 58 K C -0.602 175.965 176.600 -0.054 0.000 1.000 58 K CA -0.003 56.222 56.287 -0.103 0.000 0.943 58 K CB 0.513 32.939 32.500 -0.123 0.000 0.950 58 K HN 0.151 nan 8.250 nan 0.000 0.485 59 L N 1.881 123.088 121.223 -0.025 0.000 2.322 59 L HA 0.378 5.036 4.340 0.530 0.000 0.269 59 L C 1.543 178.412 176.870 -0.003 0.000 1.012 59 L CA -0.814 54.029 54.840 0.004 0.000 0.815 59 L CB 1.477 43.545 42.059 0.015 0.000 1.295 59 L HN 0.569 nan 8.230 nan 0.000 0.438 60 R N 1.454 121.960 120.500 0.009 0.000 2.081 60 R HA -0.059 4.599 4.340 0.530 0.000 0.235 60 R C 0.995 177.297 176.300 0.003 0.000 1.131 60 R CA 1.012 57.112 56.100 0.000 0.000 0.960 60 R CB -0.488 29.814 30.300 0.004 0.000 0.856 60 R HN 0.807 nan 8.270 nan 0.000 0.436 61 G N 2.704 111.512 108.800 0.014 0.000 2.472 61 G HA2 -0.112 4.166 3.960 0.530 0.000 0.291 61 G HA3 -0.112 4.166 3.960 0.530 0.000 0.291 61 G C -0.289 174.616 174.900 0.007 0.000 0.898 61 G CA -0.070 45.040 45.100 0.016 0.000 1.645 61 G HN 0.257 nan 8.290 nan 0.000 0.459 62 K N 2.300 122.701 120.400 0.003 0.000 2.972 62 K HA -0.025 4.613 4.320 0.530 0.000 0.257 62 K C 1.032 177.633 176.600 0.001 0.000 1.118 62 K CA 0.376 56.661 56.287 -0.003 0.000 1.142 62 K CB -0.088 32.409 32.500 -0.004 0.000 1.252 62 K HN 0.800 nan 8.250 nan 0.000 0.266 63 N N -2.177 116.525 118.700 0.003 0.000 2.050 63 N HA -0.066 4.992 4.740 0.530 0.000 0.293 63 N C -0.185 175.329 175.510 0.006 0.000 1.155 63 N CA -0.045 53.008 53.050 0.006 0.000 0.731 63 N CB 0.285 38.778 38.487 0.010 0.000 1.741 63 N HN -0.048 nan 8.380 nan 0.000 0.662 64 V N 2.015 121.934 119.914 0.008 0.000 2.567 64 V HA 0.508 4.946 4.120 0.530 0.000 0.289 64 V C -0.167 175.930 176.094 0.005 0.000 1.049 64 V CA -0.463 61.843 62.300 0.010 0.000 0.969 64 V CB 1.169 33.002 31.823 0.017 0.000 0.995 64 V HN 0.049 nan 8.190 nan 0.000 0.471 65 K N 4.968 125.372 120.400 0.006 0.000 2.138 65 K HA 0.514 5.152 4.320 0.530 0.000 0.263 65 K C -2.524 174.082 176.600 0.010 0.000 0.965 65 K CA -1.988 54.301 56.287 0.003 0.000 0.868 65 K CB 0.591 33.093 32.500 0.003 0.000 1.083 65 K HN 0.484 nan 8.250 nan 0.000 0.443 66 P HA -0.060 nan 4.420 nan 0.000 0.261 66 P C -0.719 176.596 177.300 0.026 0.000 1.173 66 P CA 0.088 63.199 63.100 0.019 0.000 0.760 66 P CB 0.686 32.395 31.700 0.016 0.000 0.783 67 S N 2.233 117.952 115.700 0.032 0.000 2.685 67 S HA 0.587 5.375 4.470 0.530 0.000 0.282 67 S C -2.553 172.073 174.600 0.043 0.000 1.159 67 S CA -1.471 56.748 58.200 0.033 0.000 0.833 67 S CB 1.552 64.767 63.200 0.026 0.000 1.151 67 S HN 0.082 nan 8.310 nan 0.000 0.485 68 P HA 0.285 nan 4.420 nan 0.000 0.242 68 P C 0.784 178.110 177.300 0.044 0.000 1.197 68 P CA 0.731 63.861 63.100 0.050 0.000 0.765 68 P CB -0.016 31.708 31.700 0.041 0.000 0.936 69 A N -1.238 121.604 122.820 0.037 0.000 1.973 69 A HA 0.181 4.819 4.320 0.530 0.000 0.210 69 A C 1.033 178.641 177.584 0.040 0.000 1.200 69 A CA 0.930 52.986 52.037 0.032 0.000 0.707 69 A CB -0.057 18.958 19.000 0.025 0.000 0.862 69 A HN -0.000 nan 8.150 nan 0.000 0.461 70 K N 0.538 120.964 120.400 0.043 0.000 2.637 70 K HA 0.412 5.051 4.320 0.530 0.000 0.248 70 K C -0.795 175.834 176.600 0.048 0.000 0.971 70 K CA -0.435 55.880 56.287 0.046 0.000 0.858 70 K CB 0.780 33.303 32.500 0.039 0.000 1.170 70 K HN 0.545 nan 8.250 nan 0.000 0.443 71 R N 1.898 122.433 120.500 0.059 0.000 2.752 71 R HA 0.522 5.180 4.340 0.530 0.000 0.271 71 R C -1.064 175.278 176.300 0.070 0.000 1.026 71 R CA -0.932 55.202 56.100 0.057 0.000 0.901 71 R CB 0.751 31.089 30.300 0.062 0.000 1.243 71 R HN 0.400 nan 8.270 nan 0.000 0.463 72 N N -0.416 118.327 118.700 0.071 0.000 2.476 72 N HA 0.564 5.623 4.740 0.530 0.000 0.275 72 N C -0.922 174.649 175.510 0.103 0.000 1.190 72 N CA -0.232 52.884 53.050 0.111 0.000 0.977 72 N CB 1.847 40.431 38.487 0.162 0.000 1.200 72 N HN 0.680 nan 8.380 nan 0.000 0.515 73 A N 0.218 123.112 122.820 0.123 0.000 2.374 73 A HA 0.620 5.258 4.320 0.530 0.000 0.317 73 A C -0.888 176.780 177.584 0.141 0.000 1.094 73 A CA -0.605 51.482 52.037 0.083 0.000 0.765 73 A CB 1.315 20.323 19.000 0.013 0.000 1.268 73 A HN 0.367 nan 8.150 nan 0.000 0.438 74 V N 2.635 122.612 119.914 0.105 0.000 2.407 74 V HA 0.437 4.875 4.120 0.530 0.000 0.291 74 V C -0.749 175.402 176.094 0.096 0.000 1.018 74 V CA -0.333 62.058 62.300 0.150 0.000 0.842 74 V CB 1.659 33.569 31.823 0.146 0.000 0.996 74 V HN 0.718 nan 8.190 nan 0.000 0.426 75 V N 7.902 127.870 119.914 0.091 0.000 2.427 75 V HA 0.650 5.088 4.120 0.530 0.000 0.286 75 V C 0.076 176.191 176.094 0.036 0.000 1.034 75 V CA -0.345 61.964 62.300 0.014 0.000 0.893 75 V CB 1.456 33.246 31.823 -0.054 0.000 0.982 75 V HN 0.932 nan 8.190 nan 0.000 0.452 76 M N 3.350 122.957 119.600 0.012 0.000 2.569 76 M HA 0.822 5.621 4.480 0.530 0.000 0.279 76 M C -0.178 176.113 176.300 -0.015 0.000 1.253 76 M CA -0.596 54.710 55.300 0.011 0.000 0.867 76 M CB 2.158 34.811 32.600 0.088 0.000 1.727 76 M HN 0.595 nan 8.290 nan 0.000 0.467 77 G N 0.921 109.701 108.800 -0.034 0.000 2.476 77 G HA2 0.315 4.593 3.960 0.530 0.000 0.269 77 G HA3 0.315 4.593 3.960 0.530 0.000 0.269 77 G C 0.330 175.247 174.900 0.029 0.000 1.195 77 G CA -0.579 44.505 45.100 -0.028 0.000 0.843 77 G HN 0.992 nan 8.290 nan 0.000 0.545 78 R N 0.970 121.484 120.500 0.024 0.000 2.115 78 R HA -0.169 4.489 4.340 0.530 0.000 0.239 78 R C 2.377 178.758 176.300 0.135 0.000 1.133 78 R CA 2.119 58.265 56.100 0.076 0.000 0.935 78 R CB -0.376 29.947 30.300 0.038 0.000 0.853 78 R HN 0.646 nan 8.270 nan 0.000 0.433 79 K N -0.772 119.670 120.400 0.069 0.000 2.089 79 K HA -0.167 4.471 4.320 0.530 0.000 0.210 79 K C 2.107 178.737 176.600 0.049 0.000 1.048 79 K CA 2.244 58.562 56.287 0.052 0.000 0.926 79 K CB -0.285 32.225 32.500 0.017 0.000 0.714 79 K HN 0.299 nan 8.250 nan 0.000 0.448 80 T N 0.516 115.097 114.554 0.044 0.000 2.788 80 T HA -0.174 4.494 4.350 0.530 0.000 0.268 80 T C 1.158 175.900 174.700 0.071 0.000 1.044 80 T CA 1.038 63.152 62.100 0.022 0.000 1.139 80 T CB -0.179 68.688 68.868 -0.002 0.000 0.867 80 T HN 0.472 nan 8.240 nan 0.000 0.454 81 W N 2.153 123.432 121.300 -0.036 0.000 2.379 81 W HA -0.126 4.852 4.660 0.530 0.000 0.307 81 W C 1.476 177.985 176.519 -0.017 0.000 1.200 81 W CA 1.042 58.374 57.345 -0.020 0.000 1.297 81 W CB -0.414 29.036 29.460 -0.017 0.000 1.140 81 W HN 0.201 nan 8.180 nan 0.000 0.507 82 D N 0.126 120.588 120.400 0.104 0.000 2.182 82 D HA -0.176 4.782 4.640 0.530 0.000 0.201 82 D C 2.208 178.445 176.300 -0.105 0.000 0.986 82 D CA 1.669 55.666 54.000 -0.006 0.000 0.847 82 D CB -0.488 40.349 40.800 0.062 0.000 0.942 82 D HN 0.071 nan 8.370 nan 0.000 0.467 83 S N -0.576 115.073 115.700 -0.085 0.000 2.555 83 S HA 0.005 4.793 4.470 0.530 0.000 0.230 83 S C 0.899 175.415 174.600 -0.139 0.000 0.978 83 S CA -0.090 58.048 58.200 -0.104 0.000 0.934 83 S CB -0.057 63.088 63.200 -0.091 0.000 0.766 83 S HN 0.120 nan 8.310 nan 0.000 0.533 84 I N 2.525 122.970 120.570 -0.209 0.000 2.365 84 I HA 0.291 4.779 4.170 0.530 0.000 0.291 84 I C -2.408 173.604 176.117 -0.175 0.000 1.004 84 I CA -2.748 58.431 61.300 -0.202 0.000 1.311 84 I CB 1.190 39.010 38.000 -0.300 0.000 1.401 84 I HN -0.072 nan 8.210 nan 0.000 0.491 85 P HA 0.012 nan 4.420 nan 0.000 0.258 85 P C -2.016 175.214 177.300 -0.117 0.000 1.187 85 P CA -0.649 62.439 63.100 -0.019 0.000 0.767 85 P CB 0.013 31.808 31.700 0.159 0.000 0.770 86 P HA -0.234 nan 4.420 nan 0.000 0.222 86 P C 0.930 178.129 177.300 -0.168 0.000 1.139 86 P CA 1.605 64.600 63.100 -0.175 0.000 0.790 86 P CB -0.040 31.589 31.700 -0.117 0.000 0.757 87 K N -1.774 118.504 120.400 -0.203 0.000 2.067 87 K HA 0.027 4.665 4.320 0.530 0.000 0.203 87 K C 1.584 178.005 176.600 -0.298 0.000 1.048 87 K CA 1.069 57.183 56.287 -0.289 0.000 0.954 87 K CB -0.421 31.810 32.500 -0.448 0.000 0.737 87 K HN 0.181 nan 8.250 nan 0.000 0.444 88 F N 1.871 121.748 119.950 -0.122 0.000 2.802 88 F HA 0.030 4.875 4.527 0.530 0.000 0.300 88 F C 0.346 176.036 175.800 -0.184 0.000 1.168 88 F CA -0.009 57.921 58.000 -0.118 0.000 1.433 88 F CB 0.139 39.081 39.000 -0.097 0.000 1.115 88 F HN -0.209 nan 8.300 nan 0.000 0.582 89 R N 1.597 122.015 120.500 -0.137 0.000 2.407 89 R HA 0.322 4.980 4.340 0.530 0.000 0.303 89 R C -2.577 173.577 176.300 -0.243 0.000 0.981 89 R CA -2.054 53.853 56.100 -0.321 0.000 0.905 89 R CB 0.235 30.092 30.300 -0.739 0.000 1.099 89 R HN -0.135 nan 8.270 nan 0.000 0.459 90 P HA 0.069 nan 4.420 nan 0.000 0.276 90 P C -0.373 176.894 177.300 -0.054 0.000 1.261 90 P CA -0.489 62.609 63.100 -0.004 0.000 0.800 90 P CB 0.803 32.600 31.700 0.163 0.000 1.066 91 L N 2.622 123.878 121.223 0.055 0.000 2.534 91 L HA 0.130 4.788 4.340 0.530 0.000 0.271 91 L C -1.497 175.404 176.870 0.052 0.000 1.178 91 L CA -1.562 53.312 54.840 0.057 0.000 0.907 91 L CB -0.409 41.699 42.059 0.082 0.000 1.164 91 L HN 0.273 nan 8.230 nan 0.000 0.482 92 P HA -0.016 nan 4.420 nan 0.000 0.266 92 P C 0.750 178.085 177.300 0.059 0.000 1.195 92 P CA 0.516 63.676 63.100 0.101 0.000 0.768 92 P CB 0.976 32.748 31.700 0.120 0.000 0.838 93 G N 2.264 111.112 108.800 0.080 0.000 2.155 93 G HA2 -0.262 4.016 3.960 0.530 0.000 0.257 93 G HA3 -0.262 4.016 3.960 0.530 0.000 0.257 93 G C 0.061 174.980 174.900 0.032 0.000 0.983 93 G CA 0.035 45.161 45.100 0.044 0.000 0.676 93 G HN 0.684 nan 8.290 nan 0.000 0.528 94 R N -0.986 119.543 120.500 0.049 0.000 2.651 94 R HA 0.564 5.222 4.340 0.530 0.000 0.278 94 R C -0.115 176.228 176.300 0.071 0.000 1.010 94 R CA -0.970 55.158 56.100 0.046 0.000 0.896 94 R CB 1.709 32.016 30.300 0.013 0.000 1.211 94 R HN 0.171 nan 8.270 nan 0.000 0.456 95 L N 3.410 124.672 121.223 0.064 0.000 2.456 95 L HA 0.177 4.836 4.340 0.530 0.000 0.277 95 L C -0.620 176.269 176.870 0.032 0.000 1.124 95 L CA 0.146 55.016 54.840 0.050 0.000 0.880 95 L CB 0.206 42.280 42.059 0.025 0.000 1.192 95 L HN 0.624 nan 8.230 nan 0.000 0.463 96 N N 5.020 123.749 118.700 0.048 0.000 2.406 96 N HA 0.136 5.194 4.740 0.530 0.000 0.251 96 N C -0.855 174.621 175.510 -0.055 0.000 1.069 96 N CA -0.330 52.755 53.050 0.059 0.000 0.947 96 N CB 1.792 40.391 38.487 0.188 0.000 1.111 96 N HN 0.360 nan 8.380 nan 0.000 0.497 97 V N 3.843 123.720 119.914 -0.062 0.000 2.318 97 V HA 0.188 4.626 4.120 0.530 0.000 0.271 97 V C 0.338 176.358 176.094 -0.123 0.000 1.030 97 V CA -0.625 61.596 62.300 -0.132 0.000 0.844 97 V CB 1.275 33.008 31.823 -0.149 0.000 1.015 97 V HN 0.287 nan 8.190 nan 0.000 0.460 98 V N 6.786 126.575 119.914 -0.208 0.000 2.481 98 V HA 0.443 4.881 4.120 0.530 0.000 0.286 98 V C 0.070 176.066 176.094 -0.164 0.000 1.042 98 V CA -0.535 61.643 62.300 -0.203 0.000 0.928 98 V CB 1.758 33.325 31.823 -0.428 0.000 0.986 98 V HN 0.612 nan 8.190 nan 0.000 0.462 99 L N 4.174 125.332 121.223 -0.107 0.000 2.289 99 L HA 0.759 5.417 4.340 0.530 0.000 0.285 99 L C 0.077 176.903 176.870 -0.072 0.000 1.049 99 L CA 0.144 54.930 54.840 -0.089 0.000 0.804 99 L CB 1.559 43.574 42.059 -0.074 0.000 1.195 99 L HN 0.751 nan 8.230 nan 0.000 0.428 100 S N 0.429 116.089 115.700 -0.067 0.000 2.604 100 S HA 0.171 4.959 4.470 0.530 0.000 0.296 100 S C 0.036 174.615 174.600 -0.034 0.000 1.097 100 S CA -0.382 57.792 58.200 -0.044 0.000 0.883 100 S CB 1.405 64.578 63.200 -0.045 0.000 1.081 100 S HN 0.645 nan 8.310 nan 0.000 0.448 101 S N 2.251 117.940 115.700 -0.017 0.000 2.679 101 S HA 0.236 5.024 4.470 0.530 0.000 0.233 101 S C 1.093 175.696 174.600 0.005 0.000 0.951 101 S CA 0.635 58.829 58.200 -0.011 0.000 0.973 101 S CB -0.319 62.877 63.200 -0.007 0.000 0.778 101 S HN 1.051 nan 8.310 nan 0.000 0.477 102 T N -0.736 113.828 114.554 0.016 0.000 3.425 102 T HA 0.378 5.046 4.350 0.530 0.000 0.225 102 T C 0.363 175.134 174.700 0.118 0.000 0.992 102 T CA -0.448 61.683 62.100 0.052 0.000 1.174 102 T CB -0.738 68.155 68.868 0.041 0.000 1.240 102 T HN 0.256 nan 8.240 nan 0.000 0.350 103 L N 2.526 123.818 121.223 0.116 0.000 2.514 103 L HA 0.427 5.085 4.340 0.530 0.000 0.280 103 L C 0.697 177.575 176.870 0.014 0.000 1.223 103 L CA -0.016 54.948 54.840 0.206 0.000 0.864 103 L CB 0.585 42.686 42.059 0.070 0.000 1.118 103 L HN 0.448 nan 8.230 nan 0.000 0.494 104 T N -0.017 114.421 114.554 -0.193 0.000 2.927 104 T HA 0.213 4.881 4.350 0.530 0.000 0.286 104 T C 1.156 175.684 174.700 -0.287 0.000 1.040 104 T CA -0.324 61.550 62.100 -0.376 0.000 1.010 104 T CB 1.654 70.126 68.868 -0.660 0.000 1.177 104 T HN 0.733 nan 8.240 nan 0.000 0.546 105 T N 1.729 116.148 114.554 -0.226 0.000 2.699 105 T HA -0.141 4.528 4.350 0.530 0.000 0.268 105 T C 1.883 176.511 174.700 -0.120 0.000 1.036 105 T CA 1.282 63.284 62.100 -0.163 0.000 1.147 105 T CB -0.140 68.661 68.868 -0.111 0.000 0.862 105 T HN 0.408 nan 8.240 nan 0.000 0.446 106 Q N 0.238 119.955 119.800 -0.138 0.000 2.123 106 Q HA -0.033 4.625 4.340 0.530 0.000 0.199 106 Q C 2.081 178.120 176.000 0.065 0.000 0.966 106 Q CA 1.383 57.162 55.803 -0.040 0.000 0.845 106 Q CB -0.391 28.327 28.738 -0.034 0.000 0.907 106 Q HN 0.772 nan 8.270 nan 0.000 0.439 107 H N -0.428 118.628 119.070 -0.024 0.000 2.253 107 H HA -0.159 4.716 4.556 0.530 0.000 0.296 107 H C 2.040 177.372 175.328 0.008 0.000 1.074 107 H CA 1.061 57.103 56.048 -0.009 0.000 1.263 107 H CB 0.098 29.846 29.762 -0.022 0.000 1.363 107 H HN 0.075 nan 8.280 nan 0.000 0.489 108 L N 0.278 121.555 121.223 0.090 0.000 2.021 108 L HA -0.223 4.435 4.340 0.530 0.000 0.215 108 L C 2.471 179.441 176.870 0.167 0.000 1.074 108 L CA 1.127 55.996 54.840 0.049 0.000 0.760 108 L CB -0.838 41.000 42.059 -0.368 0.000 0.889 108 L HN 0.236 nan 8.230 nan 0.000 0.433 109 L N -0.566 120.710 121.223 0.089 0.000 2.079 109 L HA -0.235 4.423 4.340 0.530 0.000 0.210 109 L C 2.020 178.969 176.870 0.131 0.000 1.081 109 L CA 1.811 56.723 54.840 0.119 0.000 0.752 109 L CB -0.795 41.307 42.059 0.071 0.000 0.896 109 L HN 0.352 nan 8.230 nan 0.000 0.433 110 D N -1.180 119.291 120.400 0.119 0.000 2.317 110 D HA -0.015 4.943 4.640 0.530 0.000 0.211 110 D C 1.919 178.276 176.300 0.095 0.000 0.966 110 D CA 1.055 55.114 54.000 0.098 0.000 0.876 110 D CB -0.030 40.822 40.800 0.087 0.000 0.927 110 D HN 0.478 nan 8.370 nan 0.000 0.519 111 G N 0.407 109.283 108.800 0.127 0.000 2.848 111 G HA2 0.047 4.325 3.960 0.530 0.000 0.208 111 G HA3 0.047 4.325 3.960 0.530 0.000 0.208 111 G C 0.717 175.672 174.900 0.092 0.000 1.152 111 G CA -0.091 45.075 45.100 0.111 0.000 0.789 111 G HN 0.176 nan 8.290 nan 0.000 0.531 112 L N 0.550 121.836 121.223 0.105 0.000 2.305 112 L HA 0.274 4.932 4.340 0.530 0.000 0.281 112 L C -1.462 175.441 176.870 0.055 0.000 1.085 112 L CA -1.967 52.922 54.840 0.081 0.000 0.813 112 L CB 1.450 43.581 42.059 0.120 0.000 1.157 112 L HN -0.092 nan 8.230 nan 0.000 0.436 113 P HA -0.172 nan 4.420 nan 0.000 0.207 113 P C -0.545 176.771 177.300 0.027 0.000 0.993 113 P CA 0.585 63.695 63.100 0.017 0.000 0.885 113 P CB -0.074 31.624 31.700 -0.004 0.000 0.600 114 D N 0.973 121.387 120.400 0.023 0.000 2.570 114 D HA -0.121 4.837 4.640 0.530 0.000 0.243 114 D C 0.392 176.715 176.300 0.039 0.000 1.171 114 D CA 0.371 54.386 54.000 0.025 0.000 0.879 114 D CB 0.239 41.051 40.800 0.019 0.000 1.143 114 D HN 0.406 nan 8.370 nan 0.000 0.511 115 E N 2.085 122.304 120.200 0.032 0.000 2.331 115 E HA -0.190 4.478 4.350 0.530 0.000 0.199 115 E C 1.344 177.962 176.600 0.031 0.000 1.008 115 E CA 0.697 57.118 56.400 0.036 0.000 0.843 115 E CB 0.060 29.776 29.700 0.026 0.000 0.761 115 E HN 0.648 nan 8.360 nan 0.000 0.507 116 E N 1.094 121.307 120.200 0.021 0.000 2.085 116 E HA -0.236 4.432 4.350 0.530 0.000 0.194 116 E C 2.023 178.623 176.600 0.000 0.000 0.994 116 E CA 1.512 57.916 56.400 0.006 0.000 0.801 116 E CB -0.084 29.616 29.700 -0.000 0.000 0.743 116 E HN 0.312 nan 8.360 nan 0.000 0.453 117 K N 0.399 120.818 120.400 0.032 0.000 2.361 117 K HA 0.044 4.682 4.320 0.530 0.000 0.196 117 K C 1.721 178.397 176.600 0.127 0.000 1.039 117 K CA 0.297 56.615 56.287 0.052 0.000 1.001 117 K CB 0.097 32.736 32.500 0.231 0.000 0.795 117 K HN -0.117 nan 8.250 nan 0.000 0.495 118 R N 0.512 121.075 120.500 0.105 0.000 2.377 118 R HA 0.069 4.727 4.340 0.530 0.000 0.207 118 R C 0.951 177.300 176.300 0.081 0.000 1.075 118 R CA 0.664 56.828 56.100 0.107 0.000 1.035 118 R CB -0.095 30.252 30.300 0.078 0.000 0.857 118 R HN 0.382 nan 8.270 nan 0.000 0.475 119 N N -1.201 117.531 118.700 0.052 0.000 2.372 119 N HA -0.024 5.034 4.740 0.530 0.000 0.242 119 N C 1.030 176.541 175.510 0.002 0.000 1.124 119 N CA 0.075 53.142 53.050 0.029 0.000 0.824 119 N CB 0.228 38.723 38.487 0.012 0.000 1.468 119 N HN 0.034 nan 8.380 nan 0.000 0.470 120 L N 1.562 122.750 121.223 -0.059 0.000 2.362 120 L HA 0.002 4.660 4.340 0.530 0.000 0.219 120 L C 0.470 177.214 176.870 -0.211 0.000 1.134 120 L CA 1.607 56.352 54.840 -0.159 0.000 0.807 120 L CB -0.413 41.492 42.059 -0.257 0.000 0.927 120 L HN 0.185 nan 8.230 nan 0.000 0.447 121 H N -1.404 117.696 119.070 0.051 0.000 2.481 121 H HA 0.444 5.318 4.556 0.530 0.000 0.273 121 H C 1.364 176.728 175.328 0.061 0.000 1.145 121 H CA 0.486 56.574 56.048 0.067 0.000 0.964 121 H CB 0.373 30.190 29.762 0.092 0.000 1.722 121 H HN 0.291 nan 8.280 nan 0.000 0.573 122 A N -0.046 122.850 122.820 0.127 0.000 2.044 122 A HA -0.018 4.620 4.320 0.530 0.000 0.213 122 A C 1.485 179.115 177.584 0.077 0.000 1.169 122 A CA 0.598 52.687 52.037 0.086 0.000 0.724 122 A CB 0.329 19.361 19.000 0.053 0.000 0.840 122 A HN 0.228 nan 8.150 nan 0.000 0.463 123 D N -0.255 120.196 120.400 0.085 0.000 2.349 123 D HA 0.077 5.035 4.640 0.530 0.000 0.214 123 D C 0.966 177.331 176.300 0.109 0.000 1.063 123 D CA 0.521 54.572 54.000 0.085 0.000 0.847 123 D CB 0.328 41.170 40.800 0.069 0.000 0.933 123 D HN 0.322 nan 8.370 nan 0.000 0.513 124 S N 0.202 115.984 115.700 0.136 0.000 2.517 124 S HA 0.205 4.993 4.470 0.530 0.000 0.214 124 S C 0.885 175.542 174.600 0.094 0.000 0.991 124 S CA -0.072 58.219 58.200 0.150 0.000 0.906 124 S CB 0.965 64.329 63.200 0.274 0.000 0.789 124 S HN 0.188 nan 8.310 nan 0.000 0.513 125 I N 1.096 121.699 120.570 0.054 0.000 2.545 125 I HA 0.598 5.087 4.170 0.530 0.000 0.292 125 I C -1.124 174.943 176.117 -0.084 0.000 1.040 125 I CA -0.788 60.484 61.300 -0.047 0.000 1.068 125 I CB 2.253 40.205 38.000 -0.081 0.000 1.251 125 I HN -0.167 nan 8.210 nan 0.000 0.424 126 V N 4.999 124.823 119.914 -0.149 0.000 2.817 126 V HA 0.840 5.278 4.120 0.530 0.000 0.303 126 V C -1.084 174.891 176.094 -0.198 0.000 1.151 126 V CA -0.123 62.093 62.300 -0.139 0.000 0.929 126 V CB 1.948 33.713 31.823 -0.097 0.000 1.030 126 V HN 0.879 nan 8.190 nan 0.000 0.427 127 A N 5.433 128.141 122.820 -0.187 0.000 2.337 127 A HA 0.969 5.608 4.320 0.530 0.000 0.331 127 A C -1.082 176.419 177.584 -0.138 0.000 1.137 127 A CA -0.606 51.315 52.037 -0.193 0.000 0.807 127 A CB 2.009 20.881 19.000 -0.214 0.000 1.250 127 A HN 1.248 nan 8.150 nan 0.000 0.468 128 V N 1.643 121.483 119.914 -0.125 0.000 2.735 128 V HA 0.355 4.793 4.120 0.530 0.000 0.310 128 V C 0.021 176.067 176.094 -0.079 0.000 1.061 128 V CA -0.927 61.317 62.300 -0.094 0.000 0.913 128 V CB 1.970 33.737 31.823 -0.094 0.000 1.005 128 V HN 0.890 nan 8.190 nan 0.000 0.428 129 N N 2.745 121.408 118.700 -0.061 0.000 3.331 129 N HA 0.446 5.504 4.740 0.530 0.000 0.303 129 N C -0.006 175.481 175.510 -0.039 0.000 1.326 129 N CA 0.656 53.678 53.050 -0.047 0.000 1.207 129 N CB 0.541 39.005 38.487 -0.038 0.000 1.477 129 N HN 1.040 nan 8.380 nan 0.000 0.541 130 G N -1.515 107.258 108.800 -0.046 0.000 2.490 130 G HA2 0.478 4.756 3.960 0.530 0.000 0.308 130 G HA3 0.478 4.756 3.960 0.530 0.000 0.308 130 G C -0.632 174.240 174.900 -0.047 0.000 1.286 130 G CA -0.301 44.775 45.100 -0.040 0.000 0.825 130 G HN 0.307 nan 8.290 nan 0.000 0.479 131 G N -1.355 107.419 108.800 -0.044 0.000 2.557 131 G HA2 0.566 4.844 3.960 0.530 0.000 0.302 131 G HA3 0.566 4.844 3.960 0.530 0.000 0.302 131 G C 1.113 175.967 174.900 -0.077 0.000 1.311 131 G CA 0.140 45.209 45.100 -0.051 0.000 1.030 131 G HN 1.160 nan 8.290 nan 0.000 0.509 132 L N -0.138 121.030 121.223 -0.092 0.000 2.034 132 L HA -0.202 4.456 4.340 0.530 0.000 0.217 132 L C 2.558 179.326 176.870 -0.169 0.000 1.077 132 L CA 3.043 57.790 54.840 -0.155 0.000 0.769 132 L CB -0.598 41.363 42.059 -0.164 0.000 0.890 132 L HN 0.872 nan 8.230 nan 0.000 0.435 133 E N -1.218 118.917 120.200 -0.108 0.000 2.097 133 E HA -0.335 4.334 4.350 0.530 0.000 0.196 133 E C 2.082 178.637 176.600 -0.075 0.000 1.000 133 E CA 1.757 58.109 56.400 -0.080 0.000 0.804 133 E CB -0.094 29.590 29.700 -0.028 0.000 0.740 133 E HN 0.649 nan 8.360 nan 0.000 0.454 134 Q N -0.025 119.735 119.800 -0.066 0.000 2.167 134 Q HA -0.007 4.651 4.340 0.530 0.000 0.202 134 Q C 1.873 177.827 176.000 -0.076 0.000 0.970 134 Q CA 1.564 57.334 55.803 -0.056 0.000 0.855 134 Q CB -0.230 28.480 28.738 -0.046 0.000 0.911 134 Q HN 0.405 nan 8.270 nan 0.000 0.438 135 A N 0.093 122.847 122.820 -0.110 0.000 1.897 135 A HA -0.069 4.569 4.320 0.530 0.000 0.215 135 A C 1.978 179.472 177.584 -0.149 0.000 1.181 135 A CA 0.825 52.781 52.037 -0.136 0.000 0.620 135 A CB -0.606 18.299 19.000 -0.158 0.000 0.821 135 A HN 0.337 nan 8.150 nan 0.000 0.443 136 L N -1.077 120.038 121.223 -0.180 0.000 2.191 136 L HA -0.157 4.501 4.340 0.530 0.000 0.212 136 L C 2.767 179.581 176.870 -0.092 0.000 1.103 136 L CA 1.482 56.212 54.840 -0.183 0.000 0.769 136 L CB -0.349 41.561 42.059 -0.248 0.000 0.908 136 L HN 0.444 nan 8.230 nan 0.000 0.438 137 R N 0.012 120.471 120.500 -0.068 0.000 2.093 137 R HA -0.103 4.555 4.340 0.530 0.000 0.224 137 R C 2.214 178.514 176.300 -0.001 0.000 1.101 137 R CA 0.765 56.850 56.100 -0.026 0.000 0.979 137 R CB -0.001 30.287 30.300 -0.020 0.000 0.877 137 R HN 0.266 nan 8.270 nan 0.000 0.441 138 L N 0.726 121.941 121.223 -0.013 0.000 2.313 138 L HA -0.038 4.620 4.340 0.530 0.000 0.214 138 L C 1.170 178.098 176.870 0.097 0.000 1.119 138 L CA 1.072 55.935 54.840 0.039 0.000 0.809 138 L CB -0.134 41.923 42.059 -0.004 0.000 0.933 138 L HN 0.277 nan 8.230 nan 0.000 0.449 139 L N 0.179 121.400 121.223 -0.004 0.000 2.492 139 L HA 0.077 4.735 4.340 0.530 0.000 0.223 139 L C 2.543 179.470 176.870 0.095 0.000 1.132 139 L CA 1.193 56.043 54.840 0.016 0.000 0.850 139 L CB -1.303 40.706 42.059 -0.083 0.000 0.966 139 L HN 0.256 nan 8.230 nan 0.000 0.454 140 A N -0.755 122.102 122.820 0.061 0.000 2.178 140 A HA 0.043 4.681 4.320 0.530 0.000 0.211 140 A C 1.469 179.091 177.584 0.064 0.000 1.157 140 A CA 0.429 52.493 52.037 0.044 0.000 0.780 140 A CB -0.253 18.756 19.000 0.015 0.000 0.828 140 A HN 0.449 nan 8.150 nan 0.000 0.476 141 S N -0.307 115.449 115.700 0.094 0.000 2.589 141 S HA 0.260 5.048 4.470 0.530 0.000 0.265 141 S C -1.693 172.922 174.600 0.025 0.000 1.342 141 S CA -0.628 57.607 58.200 0.058 0.000 1.005 141 S CB 0.354 63.590 63.200 0.060 0.000 0.909 141 S HN 0.051 nan 8.310 nan 0.000 0.555 142 P HA -0.097 nan 4.420 nan 0.000 0.218 142 P C 1.177 178.423 177.300 -0.089 0.000 1.148 142 P CA 1.088 64.172 63.100 -0.026 0.000 0.822 142 P CB -0.077 31.610 31.700 -0.021 0.000 0.784 143 N N -1.229 117.352 118.700 -0.200 0.000 2.025 143 N HA -0.183 4.875 4.740 0.530 0.000 0.194 143 N C 1.620 176.890 175.510 -0.401 0.000 1.044 143 N CA 1.585 54.393 53.050 -0.404 0.000 0.851 143 N CB -0.825 37.210 38.487 -0.753 0.000 1.036 143 N HN 0.281 nan 8.380 nan 0.000 0.422 144 Y N 0.595 120.897 120.300 0.003 0.000 2.490 144 Y HA 0.176 5.044 4.550 0.530 0.000 0.285 144 Y C 0.858 176.760 175.900 0.004 0.000 1.117 144 Y CA 0.380 58.482 58.100 0.003 0.000 1.262 144 Y CB -0.058 38.399 38.460 -0.004 0.000 1.043 144 Y HN -0.170 nan 8.280 nan 0.000 0.553 145 T N 3.472 118.091 114.554 0.108 0.000 2.786 145 T HA 0.224 4.892 4.350 0.530 0.000 0.283 145 T C -2.071 172.650 174.700 0.036 0.000 0.992 145 T CA -1.366 60.774 62.100 0.067 0.000 0.954 145 T CB 1.963 70.864 68.868 0.054 0.000 0.934 145 T HN -0.031 nan 8.240 nan 0.000 0.440 146 P HA 0.078 nan 4.420 nan 0.000 0.257 146 P C 1.384 178.713 177.300 0.049 0.000 1.281 146 P CA -0.012 63.111 63.100 0.037 0.000 0.826 146 P CB 0.094 31.809 31.700 0.024 0.000 1.237 147 S N 0.677 116.408 115.700 0.051 0.000 2.369 147 S HA -0.138 4.650 4.470 0.530 0.000 0.225 147 S C 1.254 175.902 174.600 0.080 0.000 1.043 147 S CA 0.751 58.986 58.200 0.059 0.000 1.074 147 S CB -1.298 61.934 63.200 0.053 0.000 0.962 147 S HN 0.030 nan 8.310 nan 0.000 0.433 148 I N 3.187 123.823 120.570 0.109 0.000 2.494 148 I HA 0.164 4.653 4.170 0.530 0.000 0.289 148 I C 1.612 177.772 176.117 0.071 0.000 1.106 148 I CA 0.076 61.436 61.300 0.100 0.000 1.369 148 I CB 0.361 38.428 38.000 0.111 0.000 1.410 148 I HN 0.527 nan 8.210 nan 0.000 0.523 149 E N 4.671 124.911 120.200 0.066 0.000 2.015 149 E HA -0.089 4.579 4.350 0.530 0.000 0.191 149 E C -0.143 176.482 176.600 0.042 0.000 0.991 149 E CA 1.140 57.574 56.400 0.057 0.000 0.802 149 E CB 0.406 30.142 29.700 0.060 0.000 0.759 149 E HN 0.634 nan 8.360 nan 0.000 0.447 150 T N 0.574 115.151 114.554 0.038 0.000 2.921 150 T HA 0.413 5.081 4.350 0.530 0.000 0.297 150 T C -1.100 173.545 174.700 -0.092 0.000 1.013 150 T CA -0.743 61.324 62.100 -0.055 0.000 0.990 150 T CB 2.117 70.921 68.868 -0.107 0.000 1.023 150 T HN -0.100 nan 8.240 nan 0.000 0.447 151 V N 3.482 123.323 119.914 -0.122 0.000 2.439 151 V HA 0.424 4.862 4.120 0.530 0.000 0.282 151 V C -1.137 174.895 176.094 -0.105 0.000 1.039 151 V CA -0.639 61.647 62.300 -0.024 0.000 0.913 151 V CB 0.588 32.447 31.823 0.059 0.000 0.983 151 V HN 0.822 nan 8.190 nan 0.000 0.460 152 Y N 2.818 123.226 120.300 0.179 0.000 2.376 152 Y HA 0.341 5.210 4.550 0.531 0.000 0.326 152 Y C 0.419 176.475 175.900 0.260 0.000 0.970 152 Y CA -0.528 57.711 58.100 0.232 0.000 1.248 152 Y CB 1.562 40.105 38.460 0.139 0.000 1.117 152 Y HN 0.697 nan 8.280 nan 0.000 0.476 153 C N 7.304 126.898 119.300 0.491 0.000 2.459 153 C HA 0.261 5.039 4.460 0.530 0.000 0.358 153 C C 1.644 176.857 174.990 0.372 0.000 1.162 153 C CA -0.498 58.742 59.018 0.369 0.000 1.559 153 C CB -2.239 25.790 27.740 0.482 0.000 2.132 153 C HN 0.941 nan 8.230 nan 0.000 0.536 154 I N 3.732 124.467 120.570 0.275 0.000 3.793 154 I HA 0.478 4.966 4.170 0.530 0.000 0.315 154 I C 0.768 176.926 176.117 0.068 0.000 1.275 154 I CA 0.433 61.895 61.300 0.270 0.000 1.214 154 I CB -0.216 37.996 38.000 0.353 0.000 1.018 154 I HN 0.684 nan 8.210 nan 0.000 0.439 155 G N -0.012 108.677 108.800 -0.185 0.000 2.498 155 G HA2 0.494 4.772 3.960 0.530 0.000 0.301 155 G HA3 0.494 4.772 3.960 0.530 0.000 0.301 155 G C -0.621 173.996 174.900 -0.472 0.000 1.577 155 G CA -0.162 44.716 45.100 -0.370 0.000 0.868 155 G HN 0.652 nan 8.290 nan 0.000 0.599 156 G N -0.925 107.575 108.800 -0.500 0.000 3.305 156 G HA2 0.443 4.721 3.960 0.530 0.000 0.649 156 G HA3 0.443 4.721 3.960 0.530 0.000 0.649 156 G C 0.983 175.768 174.900 -0.192 0.000 1.255 156 G CA 0.493 45.435 45.100 -0.263 0.000 1.137 156 G HN 1.926 nan 8.290 nan 0.000 0.535 157 G N 0.944 109.796 108.800 0.087 0.000 2.499 157 G HA2 0.051 4.329 3.960 0.530 0.000 0.221 157 G HA3 0.051 4.329 3.960 0.530 0.000 0.221 157 G C 2.076 177.080 174.900 0.174 0.000 1.109 157 G CA 2.145 47.404 45.100 0.264 0.000 0.749 157 G HN 1.971 nan 8.290 nan 0.000 0.568 158 S N -0.423 115.315 115.700 0.062 0.000 2.406 158 S HA 0.032 4.820 4.470 0.530 0.000 0.224 158 S C 2.187 176.803 174.600 0.027 0.000 1.030 158 S CA 1.020 59.248 58.200 0.045 0.000 0.958 158 S CB -0.106 63.104 63.200 0.017 0.000 0.811 158 S HN 0.061 nan 8.310 nan 0.000 0.489 159 V N 0.704 120.587 119.914 -0.051 0.000 2.667 159 V HA -0.030 4.408 4.120 0.530 0.000 0.252 159 V C 2.191 178.304 176.094 0.030 0.000 1.065 159 V CA 1.273 63.531 62.300 -0.071 0.000 1.083 159 V CB -1.029 30.687 31.823 -0.178 0.000 0.692 159 V HN 0.436 nan 8.190 nan 0.000 0.468 160 Y N 0.834 121.218 120.300 0.140 0.000 2.184 160 Y HA -0.045 4.823 4.550 0.530 0.000 0.290 160 Y C 2.579 178.566 175.900 0.144 0.000 1.129 160 Y CA 0.743 58.967 58.100 0.207 0.000 1.144 160 Y CB -1.264 37.383 38.460 0.311 0.000 0.995 160 Y HN 0.181 nan 8.280 nan 0.000 0.513 161 A N 0.007 122.984 122.820 0.262 0.000 1.917 161 A HA -0.293 4.345 4.320 0.530 0.000 0.219 161 A C 2.234 179.884 177.584 0.110 0.000 1.182 161 A CA 2.141 54.263 52.037 0.141 0.000 0.633 161 A CB -0.759 18.305 19.000 0.106 0.000 0.819 161 A HN 0.556 nan 8.150 nan 0.000 0.448 162 E N -0.402 119.865 120.200 0.112 0.000 2.072 162 E HA -0.025 4.644 4.350 0.530 0.000 0.190 162 E C 2.081 178.760 176.600 0.132 0.000 0.982 162 E CA 0.833 57.286 56.400 0.089 0.000 0.803 162 E CB -0.260 29.471 29.700 0.052 0.000 0.755 162 E HN 0.520 nan 8.360 nan 0.000 0.453 163 A N 0.757 123.700 122.820 0.205 0.000 2.070 163 A HA -0.083 4.555 4.320 0.530 0.000 0.220 163 A C 1.887 179.625 177.584 0.257 0.000 1.159 163 A CA 0.817 53.064 52.037 0.350 0.000 0.656 163 A CB -0.308 19.001 19.000 0.515 0.000 0.800 163 A HN 0.322 nan 8.150 nan 0.000 0.453 164 L N -0.657 120.653 121.223 0.145 0.000 2.653 164 L HA 0.189 4.847 4.340 0.530 0.000 0.231 164 L C 0.598 177.491 176.870 0.038 0.000 1.153 164 L CA -0.195 54.666 54.840 0.035 0.000 0.933 164 L CB -0.198 41.806 42.059 -0.091 0.000 1.175 164 L HN 0.538 nan 8.230 nan 0.000 0.473 165 R N -1.928 118.607 120.500 0.058 0.000 2.740 165 R HA 0.612 5.270 4.340 0.530 0.000 0.273 165 R C -3.059 173.249 176.300 0.014 0.000 0.998 165 R CA -1.944 54.173 56.100 0.029 0.000 0.900 165 R CB 0.540 30.861 30.300 0.035 0.000 1.223 165 R HN -0.314 nan 8.270 nan 0.000 0.466 166 P HA 0.038 nan 4.420 nan 0.000 0.268 166 P C -1.846 175.493 177.300 0.066 0.000 1.208 166 P CA -0.941 62.158 63.100 -0.002 0.000 0.777 166 P CB 0.463 32.205 31.700 0.071 0.000 0.875 167 P HA 0.029 nan 4.420 nan 0.000 0.245 167 P C 0.485 177.884 177.300 0.164 0.000 1.206 167 P CA 0.460 63.661 63.100 0.169 0.000 0.781 167 P CB -0.058 31.734 31.700 0.154 0.000 0.994 168 C N 0.579 119.957 119.300 0.131 0.000 2.436 168 C HA -0.118 4.660 4.460 0.530 0.000 0.277 168 C C 2.890 178.053 174.990 0.288 0.000 1.241 168 C CA 1.285 60.431 59.018 0.214 0.000 1.721 168 C CB -1.502 26.352 27.740 0.190 0.000 2.043 168 C HN 0.201 nan 8.230 nan 0.000 0.472 169 V N -0.069 119.938 119.914 0.154 0.000 2.428 169 V HA -0.311 4.127 4.120 0.530 0.000 0.255 169 V C 2.136 178.310 176.094 0.133 0.000 1.080 169 V CA 2.427 64.813 62.300 0.143 0.000 1.083 169 V CB -1.416 30.436 31.823 0.047 0.000 0.665 169 V HN 0.624 nan 8.190 nan 0.000 0.461 170 H N -0.166 119.032 119.070 0.214 0.000 2.560 170 H HA 0.165 5.041 4.556 0.533 0.000 0.283 170 H C 1.723 177.175 175.328 0.207 0.000 1.028 170 H CA 1.319 57.468 56.048 0.168 0.000 1.221 170 H CB 0.076 29.922 29.762 0.140 0.000 1.363 170 H HN 0.445 nan 8.280 nan 0.000 0.594 171 L N 0.344 121.769 121.223 0.337 0.000 2.808 171 L HA 0.114 4.772 4.340 0.530 0.000 0.246 171 L C 0.019 176.998 176.870 0.182 0.000 1.153 171 L CA -0.210 54.824 54.840 0.324 0.000 0.956 171 L CB 0.722 42.992 42.059 0.352 0.000 1.270 171 L HN -0.027 nan 8.230 nan 0.000 0.528 172 L N 0.854 122.108 121.223 0.052 0.000 2.312 172 L HA 0.151 4.809 4.340 0.530 0.000 0.287 172 L C 1.331 178.197 176.870 -0.006 0.000 1.091 172 L CA 0.528 55.204 54.840 -0.273 0.000 0.846 172 L CB 0.459 42.488 42.059 -0.050 0.000 1.219 172 L HN 0.126 nan 8.230 nan 0.000 0.439 173 Q N 3.683 123.435 119.800 -0.080 0.000 2.224 173 Q HA 0.220 4.879 4.340 0.530 0.000 0.203 173 Q C 0.275 176.308 176.000 0.056 0.000 0.970 173 Q CA 1.022 56.847 55.803 0.036 0.000 0.865 173 Q CB 0.068 28.834 28.738 0.048 0.000 0.922 173 Q HN 0.738 nan 8.270 nan 0.000 0.445 174 A N -0.447 122.391 122.820 0.030 0.000 2.583 174 A HA 0.606 5.244 4.320 0.530 0.000 0.292 174 A C -1.560 175.959 177.584 -0.109 0.000 1.045 174 A CA -0.686 51.344 52.037 -0.012 0.000 0.672 174 A CB 0.748 19.650 19.000 -0.162 0.000 1.283 174 A HN 0.097 nan 8.150 nan 0.000 0.419 175 I N 1.585 122.041 120.570 -0.189 0.000 2.410 175 I HA 0.356 4.844 4.170 0.530 0.000 0.286 175 I C -1.490 174.518 176.117 -0.182 0.000 1.009 175 I CA -0.383 60.829 61.300 -0.147 0.000 1.111 175 I CB 1.455 39.336 38.000 -0.198 0.000 1.262 175 I HN 0.649 nan 8.210 nan 0.000 0.443 176 Y N 5.772 126.168 120.300 0.160 0.000 2.353 176 Y HA 0.485 5.353 4.550 0.530 0.000 0.340 176 Y C 0.326 176.286 175.900 0.099 0.000 0.972 176 Y CA -0.569 57.659 58.100 0.214 0.000 1.157 176 Y CB 1.027 39.717 38.460 0.382 0.000 1.157 176 Y HN 0.426 nan 8.280 nan 0.000 0.495 177 R N 2.251 122.843 120.500 0.153 0.000 2.422 177 R HA 0.420 5.078 4.340 0.530 0.000 0.307 177 R C -1.324 174.914 176.300 -0.103 0.000 1.004 177 R CA -0.395 55.689 56.100 -0.027 0.000 0.882 177 R CB 0.815 31.092 30.300 -0.038 0.000 1.164 177 R HN 0.638 nan 8.270 nan 0.000 0.489 178 T N 3.227 117.646 114.554 -0.226 0.000 2.780 178 T HA 0.197 4.865 4.350 0.530 0.000 0.294 178 T C -0.240 174.182 174.700 -0.464 0.000 0.949 178 T CA -0.020 61.810 62.100 -0.450 0.000 1.074 178 T CB 1.356 69.907 68.868 -0.527 0.000 0.910 178 T HN 0.430 nan 8.240 nan 0.000 0.501 179 T N 5.101 119.259 114.554 -0.661 0.000 2.801 179 T HA 0.339 5.007 4.350 0.530 0.000 0.306 179 T C 0.234 174.516 174.700 -0.697 0.000 1.020 179 T CA -0.685 60.980 62.100 -0.725 0.000 0.948 179 T CB 0.084 68.322 68.868 -1.050 0.000 0.962 179 T HN 0.365 nan 8.240 nan 0.000 0.465 180 I N 3.901 124.106 120.570 -0.607 0.000 2.281 180 I HA 0.213 4.701 4.170 0.530 0.000 0.293 180 I C 1.001 176.742 176.117 -0.627 0.000 1.085 180 I CA -0.374 60.553 61.300 -0.621 0.000 1.257 180 I CB 0.051 37.499 38.000 -0.920 0.000 1.430 180 I HN 0.462 nan 8.210 nan 0.000 0.489 181 R N 4.976 125.219 120.500 -0.428 0.000 4.113 181 R HA 0.318 4.976 4.340 0.530 0.000 0.179 181 R C 0.201 176.304 176.300 -0.328 0.000 1.781 181 R CA -0.059 55.834 56.100 -0.345 0.000 1.402 181 R CB -0.080 30.098 30.300 -0.204 0.000 1.375 181 R HN 0.658 nan 8.270 nan 0.000 0.786 182 A N 1.332 123.879 122.820 -0.456 0.000 2.763 182 A HA 0.180 4.818 4.320 0.530 0.000 0.325 182 A C 0.184 177.591 177.584 -0.296 0.000 1.209 182 A CA -0.797 51.033 52.037 -0.344 0.000 0.764 182 A CB 0.600 19.370 19.000 -0.383 0.000 1.120 182 A HN 0.470 nan 8.150 nan 0.000 0.463 183 S N 1.129 116.706 115.700 -0.206 0.000 3.074 183 S HA 0.207 4.995 4.470 0.530 0.000 0.359 183 S C -0.164 174.446 174.600 0.016 0.000 1.207 183 S CA 0.509 58.638 58.200 -0.118 0.000 1.061 183 S CB 0.322 63.502 63.200 -0.034 0.000 0.769 183 S HN 0.799 nan 8.310 nan 0.000 0.512 184 E N 1.622 121.879 120.200 0.096 0.000 2.354 184 E HA 0.453 5.121 4.350 0.530 0.000 0.283 184 E C -0.438 176.284 176.600 0.203 0.000 0.938 184 E CA -0.500 56.020 56.400 0.199 0.000 0.777 184 E CB 1.653 31.604 29.700 0.418 0.000 1.222 184 E HN 0.342 nan 8.360 nan 0.000 0.423 185 S N 1.323 117.107 115.700 0.140 0.000 2.556 185 S HA 0.001 4.789 4.470 0.530 0.000 0.216 185 S C 1.474 176.116 174.600 0.070 0.000 0.970 185 S CA 0.559 58.818 58.200 0.098 0.000 0.912 185 S CB 0.135 63.377 63.200 0.070 0.000 0.790 185 S HN 0.528 nan 8.310 nan 0.000 0.504 186 S N 1.230 116.970 115.700 0.067 0.000 2.369 186 S HA -0.171 4.618 4.470 0.530 0.000 0.225 186 S C 1.049 175.647 174.600 -0.003 0.000 1.043 186 S CA 1.117 59.320 58.200 0.006 0.000 1.074 186 S CB -0.705 62.460 63.200 -0.058 0.000 0.962 186 S HN 0.656 nan 8.310 nan 0.000 0.433 187 C N 2.058 121.363 119.300 0.008 0.000 2.611 187 C HA 0.369 5.147 4.460 0.530 0.000 0.416 187 C C 1.790 176.784 174.990 0.008 0.000 1.366 187 C CA -0.347 58.667 59.018 -0.007 0.000 1.761 187 C CB 0.227 27.971 27.740 0.007 0.000 2.619 187 C HN 0.596 nan 8.230 nan 0.000 0.606 188 S N 0.775 116.509 115.700 0.056 0.000 2.691 188 S HA 0.057 4.845 4.470 0.530 0.000 0.241 188 S C 0.466 175.245 174.600 0.298 0.000 1.077 188 S CA 0.023 58.319 58.200 0.161 0.000 0.900 188 S CB -0.005 63.267 63.200 0.121 0.000 0.805 188 S HN 0.615 nan 8.310 nan 0.000 0.529 189 V N 4.471 124.515 119.914 0.216 0.000 2.470 189 V HA 0.274 4.712 4.120 0.530 0.000 0.276 189 V C -0.602 175.685 176.094 0.322 0.000 1.040 189 V CA -0.059 62.418 62.300 0.294 0.000 1.008 189 V CB -0.398 31.548 31.823 0.205 0.000 0.990 189 V HN 0.201 nan 8.190 nan 0.000 0.477 190 F N 4.572 124.582 119.950 0.100 0.000 2.371 190 F HA 0.469 5.314 4.527 0.530 0.000 0.329 190 F C -0.075 175.808 175.800 0.138 0.000 1.107 190 F CA -1.176 56.891 58.000 0.112 0.000 1.137 190 F CB 0.892 39.934 39.000 0.069 0.000 1.214 190 F HN 0.416 nan 8.300 nan 0.000 0.536 191 F N 3.660 123.680 119.950 0.117 0.000 2.361 191 F HA 0.559 5.405 4.527 0.530 0.000 0.364 191 F C -0.438 175.364 175.800 0.003 0.000 1.117 191 F CA -0.665 57.335 58.000 0.001 0.000 1.071 191 F CB 0.417 39.337 39.000 -0.133 0.000 1.188 191 F HN 0.367 nan 8.300 nan 0.000 0.464 192 R N 5.303 125.482 120.500 -0.535 0.000 2.439 192 R HA 0.523 5.181 4.340 0.530 0.000 0.310 192 R C -1.369 174.561 176.300 -0.617 0.000 0.955 192 R CA -1.078 54.772 56.100 -0.416 0.000 0.853 192 R CB 2.135 32.330 30.300 -0.176 0.000 1.171 192 R HN 0.408 nan 8.270 nan 0.000 0.449 193 V N 5.336 124.952 119.914 -0.497 0.000 2.455 193 V HA 0.151 4.589 4.120 0.530 0.000 0.273 193 V C -1.836 174.111 176.094 -0.245 0.000 1.045 193 V CA -1.687 60.319 62.300 -0.491 0.000 0.976 193 V CB 0.960 32.558 31.823 -0.375 0.000 0.993 193 V HN 0.614 nan 8.190 nan 0.000 0.475 194 P HA 0.000 nan 4.420 nan 0.000 0.261 194 P C -0.067 177.299 177.300 0.111 0.000 1.173 194 P CA 0.236 63.342 63.100 0.011 0.000 0.760 194 P CB 0.421 32.185 31.700 0.108 0.000 0.783 195 E N 2.306 122.546 120.200 0.067 0.000 2.383 195 E HA 0.127 4.795 4.350 0.530 0.000 0.264 195 E C -0.071 176.584 176.600 0.093 0.000 1.050 195 E CA -0.420 56.025 56.400 0.076 0.000 0.896 195 E CB 0.468 30.191 29.700 0.039 0.000 0.982 195 E HN 0.316 nan 8.360 nan 0.000 0.424 196 S N 2.552 118.304 115.700 0.086 0.000 2.552 196 S HA 0.271 5.059 4.470 0.530 0.000 0.289 196 S C 1.080 175.701 174.600 0.035 0.000 1.304 196 S CA 0.820 59.054 58.200 0.057 0.000 1.063 196 S CB 0.095 63.318 63.200 0.039 0.000 0.848 196 S HN 0.912 nan 8.310 nan 0.000 0.499 197 G N 2.944 111.758 108.800 0.023 0.000 2.245 197 G HA2 -0.295 3.983 3.960 0.530 0.000 0.264 197 G HA3 -0.295 3.983 3.960 0.530 0.000 0.264 197 G C 0.402 175.315 174.900 0.023 0.000 0.985 197 G CA 0.901 46.011 45.100 0.017 0.000 0.625 197 G HN 1.459 nan 8.290 nan 0.000 0.536 198 T N -2.079 112.494 114.554 0.032 0.000 2.816 198 T HA 0.596 5.264 4.350 0.530 0.000 0.282 198 T C 1.119 175.841 174.700 0.036 0.000 0.993 198 T CA 0.515 62.633 62.100 0.030 0.000 0.994 198 T CB 1.440 70.326 68.868 0.030 0.000 1.025 198 T HN 0.242 nan 8.240 nan 0.000 0.529 199 E N 0.286 120.505 120.200 0.031 0.000 2.268 199 E HA -0.025 4.643 4.350 0.530 0.000 0.195 199 E C 2.199 178.826 176.600 0.044 0.000 0.995 199 E CA 0.807 57.229 56.400 0.036 0.000 0.836 199 E CB -0.247 29.470 29.700 0.029 0.000 0.763 199 E HN 0.781 nan 8.360 nan 0.000 0.491 200 A N 1.138 123.983 122.820 0.042 0.000 2.067 200 A HA 0.134 4.772 4.320 0.530 0.000 0.217 200 A C 2.229 179.855 177.584 0.071 0.000 1.156 200 A CA 0.929 52.993 52.037 0.044 0.000 0.683 200 A CB -0.072 18.945 19.000 0.027 0.000 0.808 200 A HN 0.231 nan 8.150 nan 0.000 0.455 201 A N -0.889 121.982 122.820 0.086 0.000 2.235 201 A HA 0.436 5.075 4.320 0.530 0.000 0.208 201 A C 1.579 179.222 177.584 0.098 0.000 1.172 201 A CA 1.049 53.160 52.037 0.125 0.000 0.786 201 A CB -1.033 18.034 19.000 0.111 0.000 0.804 201 A HN 1.802 nan 8.150 nan 0.000 0.479 202 A N -2.095 120.780 122.820 0.092 0.000 2.642 202 A HA 0.044 4.682 4.320 0.530 0.000 0.307 202 A C 2.042 179.721 177.584 0.159 0.000 1.512 202 A CA 1.622 53.741 52.037 0.137 0.000 0.861 202 A CB -1.816 17.284 19.000 0.167 0.000 0.991 202 A HN 2.473 nan 8.150 nan 0.000 0.449 203 G N -2.483 106.363 108.800 0.077 0.000 2.268 203 G HA2 -0.252 4.026 3.960 0.530 0.000 0.240 203 G HA3 -0.252 4.026 3.960 0.530 0.000 0.240 203 G C 0.242 175.128 174.900 -0.024 0.000 1.010 203 G CA 0.139 45.260 45.100 0.034 0.000 0.618 203 G HN 1.279 nan 8.290 nan 0.000 0.516 204 I N 1.813 122.355 120.570 -0.047 0.000 2.496 204 I HA 0.279 4.767 4.170 0.530 0.000 0.285 204 I C 0.276 176.197 176.117 -0.326 0.000 1.080 204 I CA 0.136 61.287 61.300 -0.248 0.000 1.404 204 I CB 0.869 38.648 38.000 -0.369 0.000 1.403 204 I HN 0.135 nan 8.210 nan 0.000 0.539 205 E N 6.078 126.053 120.200 -0.376 0.000 2.063 205 E HA 0.176 4.844 4.350 0.530 0.000 0.265 205 E C -1.433 174.963 176.600 -0.340 0.000 0.919 205 E CA -0.524 55.724 56.400 -0.252 0.000 0.756 205 E CB 0.754 30.370 29.700 -0.140 0.000 1.120 205 E HN 0.387 nan 8.360 nan 0.000 0.414 206 W N 3.288 124.581 121.300 -0.011 0.000 2.253 206 W HA 0.085 5.065 4.660 0.533 0.000 0.322 206 W C 0.635 177.149 176.519 -0.009 0.000 1.342 206 W CA -0.185 57.152 57.345 -0.014 0.000 1.218 206 W CB 0.539 29.989 29.460 -0.017 0.000 1.205 206 W HN 0.397 nan 8.180 nan 0.000 0.551 207 Q N 2.259 122.179 119.800 0.200 0.000 2.389 207 Q HA 0.576 5.234 4.340 0.530 0.000 0.277 207 Q C -0.725 175.353 176.000 0.129 0.000 1.082 207 Q CA -1.338 54.538 55.803 0.122 0.000 0.810 207 Q CB 1.788 30.556 28.738 0.049 0.000 1.374 207 Q HN 0.436 nan 8.270 nan 0.000 0.422 208 R N 1.106 121.665 120.500 0.099 0.000 2.442 208 R HA 0.019 4.677 4.340 0.530 0.000 0.291 208 R C 0.568 176.915 176.300 0.079 0.000 1.069 208 R CA 0.160 56.312 56.100 0.087 0.000 1.022 208 R CB 0.747 31.088 30.300 0.068 0.000 0.976 208 R HN 0.849 nan 8.270 nan 0.000 0.443 209 E N 1.504 121.753 120.200 0.082 0.000 2.251 209 E HA -0.030 4.638 4.350 0.530 0.000 0.194 209 E C -0.481 176.177 176.600 0.097 0.000 0.964 209 E CA 0.767 57.224 56.400 0.095 0.000 0.868 209 E CB 0.654 30.410 29.700 0.093 0.000 0.828 209 E HN 0.673 nan 8.360 nan 0.000 0.481 210 T N -0.877 113.733 114.554 0.092 0.000 3.105 210 T HA 0.530 5.198 4.350 0.530 0.000 0.321 210 T C -0.783 173.975 174.700 0.096 0.000 1.135 210 T CA -0.799 61.357 62.100 0.093 0.000 1.053 210 T CB 1.472 70.406 68.868 0.110 0.000 1.133 210 T HN 0.137 nan 8.240 nan 0.000 0.463 211 I N 2.795 123.405 120.570 0.067 0.000 2.533 211 I HA 0.629 5.118 4.170 0.530 0.000 0.290 211 I C 0.224 176.361 176.117 0.034 0.000 1.056 211 I CA -0.517 60.817 61.300 0.056 0.000 1.057 211 I CB 2.075 40.065 38.000 -0.017 0.000 1.240 211 I HN 1.050 nan 8.210 nan 0.000 0.423 212 S N 5.436 121.185 115.700 0.082 0.000 2.686 212 S HA 0.493 5.282 4.470 0.530 0.000 0.270 212 S C -0.194 174.389 174.600 -0.029 0.000 1.194 212 S CA -0.690 57.547 58.200 0.061 0.000 0.990 212 S CB 1.023 64.324 63.200 0.168 0.000 1.029 212 S HN 0.685 nan 8.310 nan 0.000 0.560 213 E N -0.053 120.129 120.200 -0.029 0.000 2.280 213 E HA 0.244 4.912 4.350 0.530 0.000 0.264 213 E C -0.526 176.030 176.600 -0.073 0.000 1.064 213 E CA -0.718 55.638 56.400 -0.074 0.000 0.900 213 E CB 0.624 30.292 29.700 -0.054 0.000 1.123 213 E HN 0.774 nan 8.360 nan 0.000 0.418 214 E N 1.283 121.430 120.200 -0.088 0.000 2.417 214 E HA 0.041 4.710 4.350 0.530 0.000 0.261 214 E C -1.123 175.382 176.600 -0.158 0.000 1.000 214 E CA -0.209 56.141 56.400 -0.084 0.000 0.919 214 E CB 0.345 30.012 29.700 -0.056 0.000 0.955 214 E HN 0.153 nan 8.360 nan 0.000 0.455 215 L N 3.442 124.454 121.223 -0.350 0.000 2.313 215 L HA 0.485 5.143 4.340 0.530 0.000 0.268 215 L C -0.195 176.471 176.870 -0.340 0.000 1.010 215 L CA -0.491 54.086 54.840 -0.438 0.000 0.814 215 L CB 2.253 43.849 42.059 -0.772 0.000 1.304 215 L HN 0.517 nan 8.230 nan 0.000 0.441 216 T N -0.127 114.396 114.554 -0.052 0.000 2.881 216 T HA 0.422 5.090 4.350 0.530 0.000 0.291 216 T C -0.388 174.471 174.700 0.265 0.000 0.990 216 T CA -0.792 61.379 62.100 0.117 0.000 0.976 216 T CB 1.308 70.205 68.868 0.048 0.000 0.970 216 T HN 0.646 nan 8.240 nan 0.000 0.438 217 S N 1.829 117.729 115.700 0.332 0.000 2.564 217 S HA 0.482 5.270 4.470 0.530 0.000 0.278 217 S C 0.838 175.494 174.600 0.093 0.000 1.333 217 S CA -0.829 57.482 58.200 0.185 0.000 1.048 217 S CB 0.836 64.031 63.200 -0.008 0.000 0.900 217 S HN 0.860 nan 8.310 nan 0.000 0.505 218 A N 2.364 125.227 122.820 0.073 0.000 3.135 218 A HA 0.254 4.892 4.320 0.530 0.000 0.253 218 A C 0.986 178.587 177.584 0.029 0.000 1.638 218 A CA -0.442 51.625 52.037 0.049 0.000 1.295 218 A CB -1.619 17.411 19.000 0.049 0.000 1.106 218 A HN 0.985 nan 8.150 nan 0.000 0.648 219 N N -0.303 118.411 118.700 0.022 0.000 2.291 219 N HA 0.311 5.369 4.740 0.530 0.000 0.244 219 N C 0.709 176.227 175.510 0.013 0.000 1.216 219 N CA 0.029 53.086 53.050 0.012 0.000 0.879 219 N CB 0.439 38.925 38.487 -0.001 0.000 1.167 219 N HN 0.470 nan 8.380 nan 0.000 0.515 220 G N 1.482 110.292 108.800 0.017 0.000 2.350 220 G HA2 -0.275 4.003 3.960 0.530 0.000 0.298 220 G HA3 -0.275 4.003 3.960 0.530 0.000 0.298 220 G C -0.018 174.890 174.900 0.012 0.000 1.037 220 G CA 0.344 45.452 45.100 0.014 0.000 1.074 220 G HN 0.594 nan 8.290 nan 0.000 0.511 221 N N -0.236 118.472 118.700 0.013 0.000 1.885 221 N HA 0.037 5.095 4.740 0.530 0.000 0.229 221 N C 0.502 176.017 175.510 0.009 0.000 1.411 221 N CA 0.356 53.412 53.050 0.009 0.000 0.790 221 N CB 0.354 38.846 38.487 0.008 0.000 1.064 221 N HN 0.416 nan 8.380 nan 0.000 0.492 222 E N 0.671 120.882 120.200 0.018 0.000 2.476 222 E HA -0.139 4.529 4.350 0.530 0.000 0.251 222 E C -0.709 175.903 176.600 0.020 0.000 1.130 222 E CA 0.730 57.142 56.400 0.021 0.000 0.736 222 E CB -2.589 27.117 29.700 0.010 0.000 1.298 222 E HN 0.241 nan 8.360 nan 0.000 0.400 223 T N 1.897 116.466 114.554 0.025 0.000 2.902 223 T HA 0.117 4.785 4.350 0.530 0.000 0.301 223 T C 0.660 175.402 174.700 0.070 0.000 1.012 223 T CA -0.016 62.091 62.100 0.011 0.000 1.151 223 T CB 0.815 69.668 68.868 -0.025 0.000 0.946 223 T HN -0.058 nan 8.240 nan 0.000 0.542 224 K N 3.474 123.875 120.400 0.003 0.000 2.183 224 K HA 0.438 5.076 4.320 0.530 0.000 0.274 224 K C -0.406 176.185 176.600 -0.016 0.000 1.009 224 K CA -0.498 55.781 56.287 -0.012 0.000 0.888 224 K CB 1.045 33.517 32.500 -0.048 0.000 1.078 224 K HN 0.823 nan 8.250 nan 0.000 0.459 225 Y N 0.388 120.588 120.300 -0.168 0.000 2.670 225 Y HA 0.686 5.554 4.550 0.530 0.000 0.334 225 Y C -1.340 174.447 175.900 -0.189 0.000 1.185 225 Y CA -1.582 56.324 58.100 -0.323 0.000 1.053 225 Y CB 1.217 39.445 38.460 -0.388 0.000 1.298 225 Y HN 0.572 nan 8.280 nan 0.000 0.459 226 Y N -0.946 119.155 120.300 -0.332 0.000 2.677 226 Y HA 0.791 5.659 4.550 0.530 0.000 0.334 226 Y C -2.332 173.380 175.900 -0.314 0.000 1.196 226 Y CA -2.603 55.313 58.100 -0.306 0.000 1.059 226 Y CB 0.716 39.065 38.460 -0.185 0.000 1.315 226 Y HN 0.591 nan 8.280 nan 0.000 0.455 227 F N 0.695 120.730 119.950 0.143 0.000 2.509 227 F HA 0.762 5.607 4.527 0.530 0.000 0.334 227 F C -0.285 175.598 175.800 0.138 0.000 1.060 227 F CA -0.886 57.126 58.000 0.019 0.000 0.997 227 F CB 1.877 40.774 39.000 -0.171 0.000 1.271 227 F HN 0.540 nan 8.300 nan 0.000 0.488 228 E N 0.628 121.003 120.200 0.292 0.000 2.347 228 E HA 0.204 4.873 4.350 0.530 0.000 0.285 228 E C -1.445 175.272 176.600 0.194 0.000 0.925 228 E CA -0.953 55.578 56.400 0.218 0.000 0.779 228 E CB 2.533 32.343 29.700 0.184 0.000 1.233 228 E HN 0.362 nan 8.360 nan 0.000 0.414 229 K N 4.669 125.152 120.400 0.138 0.000 2.483 229 K HA 0.422 5.060 4.320 0.530 0.000 0.256 229 K C -1.325 175.270 176.600 -0.009 0.000 0.961 229 K CA -0.444 55.845 56.287 0.004 0.000 0.873 229 K CB 0.645 33.174 32.500 0.047 0.000 1.107 229 K HN 0.450 nan 8.250 nan 0.000 0.432 230 L N 6.075 127.280 121.223 -0.030 0.000 2.334 230 L HA 0.614 5.272 4.340 0.530 0.000 0.275 230 L C 0.082 177.050 176.870 0.163 0.000 1.036 230 L CA -0.916 53.983 54.840 0.097 0.000 0.807 230 L CB 1.373 43.508 42.059 0.126 0.000 1.231 230 L HN 0.546 nan 8.230 nan 0.000 0.438 231 I N -0.300 120.414 120.570 0.241 0.000 2.969 231 I HA 0.627 5.115 4.170 0.530 0.000 0.307 231 I C -2.759 173.375 176.117 0.027 0.000 1.149 231 I CA -2.467 58.945 61.300 0.187 0.000 1.008 231 I CB 2.611 40.642 38.000 0.052 0.000 1.232 231 I HN 0.287 nan 8.210 nan 0.000 0.435 232 P HA 0.187 nan 4.420 nan 0.000 0.287 232 P C -0.786 176.318 177.300 -0.325 0.000 1.294 232 P CA -0.299 62.424 63.100 -0.628 0.000 0.776 232 P CB 1.029 32.291 31.700 -0.731 0.000 0.889 233 R N 3.954 124.286 120.500 -0.280 0.000 2.486 233 R HA -0.033 4.625 4.340 0.530 0.000 0.303 233 R C 0.298 176.483 176.300 -0.191 0.000 0.958 233 R CA 0.151 56.144 56.100 -0.178 0.000 1.077 233 R CB -0.182 30.035 30.300 -0.137 0.000 0.921 233 R HN 0.355 nan 8.270 nan 0.000 0.406 234 N N 4.489 123.079 118.700 -0.183 0.000 2.767 234 N HA 0.060 5.118 4.740 0.530 0.000 0.238 234 N C 0.388 175.800 175.510 -0.162 0.000 1.083 234 N CA -0.300 52.609 53.050 -0.235 0.000 0.964 234 N CB 0.535 38.794 38.487 -0.380 0.000 1.252 234 N HN 0.524 nan 8.380 nan 0.000 0.512 235 R N 1.991 122.416 120.500 -0.126 0.000 2.083 235 R HA -0.137 4.522 4.340 0.530 0.000 0.237 235 R C 1.162 177.419 176.300 -0.072 0.000 1.137 235 R CA 1.286 57.333 56.100 -0.088 0.000 0.951 235 R CB -0.323 29.926 30.300 -0.085 0.000 0.851 235 R HN 0.652 nan 8.270 nan 0.000 0.434 236 E N 0.593 120.747 120.200 -0.076 0.000 2.055 236 E HA -0.284 4.384 4.350 0.530 0.000 0.209 236 E C 1.947 178.615 176.600 0.114 0.000 1.036 236 E CA 1.837 58.214 56.400 -0.039 0.000 0.849 236 E CB -0.245 29.533 29.700 0.129 0.000 0.767 236 E HN 0.455 nan 8.360 nan 0.000 0.461 237 E N 0.617 120.922 120.200 0.175 0.000 2.209 237 E HA -0.229 4.439 4.350 0.530 0.000 0.196 237 E C 1.809 178.546 176.600 0.229 0.000 0.993 237 E CA 1.109 57.691 56.400 0.304 0.000 0.819 237 E CB 0.106 29.895 29.700 0.147 0.000 0.745 237 E HN 0.285 nan 8.360 nan 0.000 0.477 238 E N 0.393 120.649 120.200 0.093 0.000 2.077 238 E HA -0.242 4.426 4.350 0.530 0.000 0.193 238 E C 2.184 178.828 176.600 0.074 0.000 0.989 238 E CA 1.117 57.555 56.400 0.063 0.000 0.800 238 E CB -0.200 29.500 29.700 0.000 0.000 0.746 238 E HN 0.465 nan 8.360 nan 0.000 0.452 239 Q N 0.310 120.142 119.800 0.054 0.000 2.047 239 Q HA -0.271 4.387 4.340 0.530 0.000 0.211 239 Q C 2.104 178.158 176.000 0.090 0.000 1.005 239 Q CA 2.264 58.084 55.803 0.028 0.000 0.866 239 Q CB -0.597 28.122 28.738 -0.031 0.000 0.938 239 Q HN 0.390 nan 8.270 nan 0.000 0.414 240 Y N 1.312 121.663 120.300 0.085 0.000 2.030 240 Y HA -0.292 4.575 4.550 0.529 0.000 0.274 240 Y C 2.023 177.958 175.900 0.058 0.000 1.153 240 Y CA 1.846 60.013 58.100 0.112 0.000 1.115 240 Y CB -0.368 38.213 38.460 0.201 0.000 0.969 240 Y HN 0.022 nan 8.280 nan 0.000 0.488 241 L N -0.539 120.718 121.223 0.057 0.000 2.081 241 L HA -0.290 4.368 4.340 0.530 0.000 0.212 241 L C 2.570 179.374 176.870 -0.110 0.000 1.080 241 L CA 1.538 56.335 54.840 -0.071 0.000 0.754 241 L CB -0.775 41.322 42.059 0.062 0.000 0.893 241 L HN 0.246 nan 8.230 nan 0.000 0.433 242 S N 0.052 115.715 115.700 -0.062 0.000 2.343 242 S HA -0.189 4.600 4.470 0.530 0.000 0.219 242 S C 1.852 176.395 174.600 -0.096 0.000 1.033 242 S CA 1.339 59.500 58.200 -0.064 0.000 1.014 242 S CB -0.428 62.745 63.200 -0.044 0.000 0.915 242 S HN 0.260 nan 8.310 nan 0.000 0.435 243 L N 2.112 123.267 121.223 -0.113 0.000 2.051 243 L HA -0.125 4.534 4.340 0.530 0.000 0.214 243 L C 2.177 178.949 176.870 -0.163 0.000 1.076 243 L CA 1.643 56.406 54.840 -0.129 0.000 0.758 243 L CB -0.870 41.110 42.059 -0.132 0.000 0.890 243 L HN 0.139 nan 8.230 nan 0.000 0.433 244 V N -0.061 119.702 119.914 -0.252 0.000 2.223 244 V HA -0.343 4.095 4.120 0.530 0.000 0.244 244 V C 2.387 178.403 176.094 -0.130 0.000 1.045 244 V CA 2.117 64.273 62.300 -0.239 0.000 1.000 244 V CB -0.787 30.818 31.823 -0.364 0.000 0.635 244 V HN 0.628 nan 8.190 nan 0.000 0.445 245 D N -0.557 119.776 120.400 -0.111 0.000 2.172 245 D HA -0.257 4.701 4.640 0.530 0.000 0.196 245 D C 2.297 178.567 176.300 -0.051 0.000 0.999 245 D CA 1.711 55.672 54.000 -0.064 0.000 0.856 245 D CB -0.133 40.635 40.800 -0.054 0.000 0.934 245 D HN 0.262 nan 8.370 nan 0.000 0.453 246 R N -0.457 120.007 120.500 -0.060 0.000 2.066 246 R HA -0.007 4.651 4.340 0.530 0.000 0.232 246 R C 2.496 178.773 176.300 -0.038 0.000 1.131 246 R CA 1.055 57.129 56.100 -0.045 0.000 0.955 246 R CB -0.193 30.078 30.300 -0.049 0.000 0.851 246 R HN 0.291 nan 8.270 nan 0.000 0.432 247 I N 0.617 121.157 120.570 -0.050 0.000 2.099 247 I HA -0.350 4.138 4.170 0.530 0.000 0.239 247 I C 2.297 178.402 176.117 -0.019 0.000 1.066 247 I CA 1.519 62.798 61.300 -0.035 0.000 1.324 247 I CB -0.321 37.650 38.000 -0.049 0.000 1.037 247 I HN 0.228 nan 8.210 nan 0.000 0.401 248 I N 0.286 120.843 120.570 -0.022 0.000 2.151 248 I HA -0.349 4.139 4.170 0.530 0.000 0.243 248 I C 2.806 178.921 176.117 -0.003 0.000 1.080 248 I CA 1.639 62.936 61.300 -0.005 0.000 1.339 248 I CB -0.409 37.588 38.000 -0.004 0.000 1.039 248 I HN 0.199 nan 8.210 nan 0.000 0.409 249 R N 0.322 120.817 120.500 -0.010 0.000 2.075 249 R HA -0.123 4.535 4.340 0.530 0.000 0.232 249 R C 1.422 177.720 176.300 -0.003 0.000 1.126 249 R CA 1.390 57.486 56.100 -0.006 0.000 0.963 249 R CB 0.021 30.315 30.300 -0.011 0.000 0.858 249 R HN 0.448 nan 8.270 nan 0.000 0.435 250 E N -0.968 119.229 120.200 -0.006 0.000 2.601 250 E HA 0.149 4.817 4.350 0.530 0.000 0.219 250 E C 0.315 176.917 176.600 0.003 0.000 0.964 250 E CA -0.308 56.091 56.400 -0.002 0.000 1.050 250 E CB 1.291 30.988 29.700 -0.005 0.000 1.068 250 E HN 0.236 nan 8.360 nan 0.000 0.496 251 G N 1.335 110.137 108.800 0.003 0.000 2.699 251 G HA2 0.014 4.293 3.960 0.530 0.000 0.246 251 G HA3 0.014 4.293 3.960 0.530 0.000 0.246 251 G C 0.001 174.910 174.900 0.014 0.000 1.219 251 G CA -0.444 44.661 45.100 0.009 0.000 0.866 251 G HN 0.035 nan 8.290 nan 0.000 0.572 252 N N -0.268 118.442 118.700 0.018 0.000 2.422 252 N HA 0.186 5.244 4.740 0.530 0.000 0.266 252 N C -0.442 175.080 175.510 0.020 0.000 1.007 252 N CA -0.345 52.716 53.050 0.018 0.000 0.941 252 N CB 2.145 40.641 38.487 0.016 0.000 1.115 252 N HN 0.110 nan 8.380 nan 0.000 0.492 253 V N 3.625 123.559 119.914 0.033 0.000 2.405 253 V HA 0.101 4.540 4.120 0.530 0.000 0.264 253 V C 0.528 176.671 176.094 0.082 0.000 1.048 253 V CA 0.046 62.379 62.300 0.056 0.000 0.966 253 V CB -0.101 31.777 31.823 0.091 0.000 1.015 253 V HN 0.428 nan 8.190 nan 0.000 0.477 254 K N 3.698 124.128 120.400 0.049 0.000 2.259 254 K HA 0.625 5.264 4.320 0.530 0.000 0.249 254 K C -1.204 175.435 176.600 0.065 0.000 0.942 254 K CA -0.985 55.338 56.287 0.060 0.000 0.816 254 K CB 2.066 34.564 32.500 -0.004 0.000 1.155 254 K HN 0.633 nan 8.250 nan 0.000 0.428 255 H N 0.599 119.662 119.070 -0.011 0.000 2.505 255 H HA 0.165 5.040 4.556 0.531 0.000 0.338 255 H C -0.487 174.840 175.328 -0.002 0.000 1.057 255 H CA -0.326 55.720 56.048 -0.003 0.000 1.202 255 H CB 1.216 30.977 29.762 -0.001 0.000 1.466 255 H HN 0.503 nan 8.280 nan 0.000 0.499 256 D N 1.018 121.448 120.400 0.048 0.000 2.278 256 D HA -0.066 4.892 4.640 0.530 0.000 0.240 256 D C 1.499 177.835 176.300 0.059 0.000 1.347 256 D CA 0.007 54.030 54.000 0.039 0.000 0.945 256 D CB 0.827 41.637 40.800 0.017 0.000 1.175 256 D HN 0.644 nan 8.370 nan 0.000 0.519 257 R N -0.569 119.955 120.500 0.040 0.000 2.280 257 R HA -0.013 4.645 4.340 0.530 0.000 0.195 257 R C 1.092 177.412 176.300 0.033 0.000 0.935 257 R CA 0.590 56.712 56.100 0.036 0.000 1.033 257 R CB -0.868 29.449 30.300 0.028 0.000 0.964 257 R HN 0.391 nan 8.270 nan 0.000 0.489 258 T N -3.499 111.074 114.554 0.032 0.000 3.105 258 T HA 0.306 4.974 4.350 0.530 0.000 0.253 258 T C 1.168 175.884 174.700 0.027 0.000 1.047 258 T CA 0.260 62.374 62.100 0.024 0.000 0.944 258 T CB 0.306 69.183 68.868 0.014 0.000 1.016 258 T HN 0.381 nan 8.240 nan 0.000 0.544 259 G N 0.985 109.817 108.800 0.053 0.000 2.143 259 G HA2 -0.232 4.046 3.960 0.530 0.000 0.249 259 G HA3 -0.232 4.046 3.960 0.530 0.000 0.249 259 G C 0.015 174.947 174.900 0.054 0.000 0.981 259 G CA -0.066 45.092 45.100 0.098 0.000 0.665 259 G HN 0.697 nan 8.290 nan 0.000 0.528 260 V N 0.854 120.756 119.914 -0.021 0.000 2.555 260 V HA 0.602 5.041 4.120 0.530 0.000 0.286 260 V C 1.232 177.179 176.094 -0.246 0.000 1.044 260 V CA 0.361 62.603 62.300 -0.097 0.000 1.026 260 V CB 1.389 33.178 31.823 -0.057 0.000 0.981 260 V HN 0.729 nan 8.190 nan 0.000 0.480 261 G N 3.011 111.599 108.800 -0.352 0.000 2.371 261 G HA2 0.685 4.963 3.960 0.530 0.000 0.326 261 G HA3 0.685 4.963 3.960 0.530 0.000 0.326 261 G C -0.285 174.506 174.900 -0.183 0.000 1.127 261 G CA -0.177 44.581 45.100 -0.569 0.000 0.885 261 G HN 0.884 nan 8.290 nan 0.000 0.477 262 T N -0.743 113.701 114.554 -0.184 0.000 2.993 262 T HA 0.589 5.258 4.350 0.530 0.000 0.312 262 T C -1.029 173.623 174.700 -0.078 0.000 1.115 262 T CA -0.773 61.243 62.100 -0.139 0.000 1.027 262 T CB 1.579 70.278 68.868 -0.281 0.000 1.116 262 T HN 0.246 nan 8.240 nan 0.000 0.464 263 L N 3.002 124.202 121.223 -0.038 0.000 2.317 263 L HA 0.854 5.513 4.340 0.530 0.000 0.281 263 L C 0.415 177.291 176.870 0.010 0.000 1.024 263 L CA 0.060 54.897 54.840 -0.005 0.000 0.810 263 L CB 1.843 43.906 42.059 0.006 0.000 1.240 263 L HN 1.144 nan 8.230 nan 0.000 0.427 264 S N 2.116 117.829 115.700 0.021 0.000 2.625 264 S HA 0.928 5.716 4.470 0.530 0.000 0.271 264 S C -0.882 173.746 174.600 0.048 0.000 1.161 264 S CA -0.847 57.382 58.200 0.048 0.000 0.820 264 S CB 1.783 65.034 63.200 0.085 0.000 1.137 264 S HN 0.517 nan 8.310 nan 0.000 0.470 265 I N -1.941 118.665 120.570 0.060 0.000 3.074 265 I HA 0.892 5.380 4.170 0.530 0.000 0.310 265 I C -1.520 174.684 176.117 0.144 0.000 1.153 265 I CA -1.103 60.241 61.300 0.074 0.000 0.993 265 I CB 1.703 39.716 38.000 0.022 0.000 1.237 265 I HN 0.686 nan 8.210 nan 0.000 0.443 266 F N 3.293 123.230 119.950 -0.022 0.000 2.426 266 F HA 0.822 5.670 4.527 0.534 0.000 0.348 266 F C 0.398 176.181 175.800 -0.029 0.000 1.124 266 F CA 0.030 58.017 58.000 -0.022 0.000 1.008 266 F CB 1.157 40.152 39.000 -0.009 0.000 1.139 266 F HN 1.097 nan 8.300 nan 0.000 0.452 267 G N 4.013 112.397 108.800 -0.693 0.000 3.307 267 G HA2 0.508 4.787 3.960 0.530 0.000 0.686 267 G HA3 0.508 4.787 3.960 0.530 0.000 0.686 267 G C -1.323 173.406 174.900 -0.286 0.000 0.983 267 G CA -0.356 44.401 45.100 -0.572 0.000 0.804 267 G HN 1.902 nan 8.290 nan 0.000 0.531 268 A N 2.084 124.748 122.820 -0.260 0.000 2.583 268 A HA 0.922 5.560 4.320 0.530 0.000 0.292 268 A C -0.692 176.785 177.584 -0.178 0.000 1.045 268 A CA 0.434 52.359 52.037 -0.185 0.000 0.672 268 A CB 1.657 20.552 19.000 -0.174 0.000 1.283 268 A HN 1.772 nan 8.150 nan 0.000 0.419 269 Q N 0.723 120.445 119.800 -0.129 0.000 2.309 269 Q HA 0.777 5.435 4.340 0.530 0.000 0.273 269 Q C -1.620 174.337 176.000 -0.071 0.000 1.040 269 Q CA -0.476 55.270 55.803 -0.096 0.000 0.834 269 Q CB 1.819 30.509 28.738 -0.080 0.000 1.345 269 Q HN 0.828 nan 8.270 nan 0.000 0.414 270 M N 1.829 121.416 119.600 -0.022 0.000 2.690 270 M HA 0.624 5.422 4.480 0.530 0.000 0.302 270 M C -0.953 175.278 176.300 -0.116 0.000 1.234 270 M CA -0.802 54.455 55.300 -0.073 0.000 0.853 270 M CB 2.872 35.495 32.600 0.037 0.000 1.748 270 M HN 0.494 nan 8.290 nan 0.000 0.469 271 R N 0.926 121.177 120.500 -0.414 0.000 2.628 271 R HA 0.760 5.418 4.340 0.530 0.000 0.288 271 R C -2.212 173.686 176.300 -0.670 0.000 0.980 271 R CA -0.339 55.566 56.100 -0.324 0.000 0.891 271 R CB 1.611 31.805 30.300 -0.177 0.000 1.188 271 R HN 0.601 nan 8.270 nan 0.000 0.450 272 F N 0.718 120.695 119.950 0.044 0.000 2.578 272 F HA 0.356 5.195 4.527 0.520 0.000 0.311 272 F C 0.113 175.934 175.800 0.035 0.000 1.094 272 F CA -0.829 57.202 58.000 0.053 0.000 0.923 272 F CB 2.483 41.495 39.000 0.020 0.000 1.230 272 F HN 0.308 nan 8.300 nan 0.000 0.450 273 S N 2.389 118.209 115.700 0.201 0.000 2.430 273 S HA 0.409 5.198 4.470 0.530 0.000 0.289 273 S C 0.131 174.791 174.600 0.101 0.000 1.143 273 S CA -0.529 57.744 58.200 0.121 0.000 1.067 273 S CB 0.281 63.530 63.200 0.081 0.000 0.964 273 S HN 0.559 nan 8.310 nan 0.000 0.485 274 L N 5.165 126.438 121.223 0.084 0.000 2.653 274 L HA 0.339 4.997 4.340 0.530 0.000 0.232 274 L C 1.218 178.123 176.870 0.058 0.000 1.169 274 L CA 0.504 55.377 54.840 0.054 0.000 0.951 274 L CB -0.751 41.348 42.059 0.067 0.000 1.181 274 L HN 0.577 nan 8.230 nan 0.000 0.460 275 R N 0.576 121.113 120.500 0.062 0.000 2.490 275 R HA 0.148 4.806 4.340 0.530 0.000 0.280 275 R C 0.214 176.563 176.300 0.082 0.000 1.077 275 R CA -0.266 55.873 56.100 0.064 0.000 1.065 275 R CB -0.052 30.279 30.300 0.052 0.000 1.003 275 R HN 0.289 nan 8.270 nan 0.000 0.470 276 N N 2.739 121.497 118.700 0.096 0.000 2.727 276 N HA -0.257 4.801 4.740 0.530 0.000 0.251 276 N C -0.718 174.915 175.510 0.206 0.000 1.040 276 N CA 0.387 53.519 53.050 0.138 0.000 0.712 276 N CB -0.856 37.720 38.487 0.149 0.000 0.912 276 N HN 0.842 nan 8.380 nan 0.000 0.545 277 N N -2.089 116.710 118.700 0.164 0.000 2.900 277 N HA -0.199 4.859 4.740 0.530 0.000 0.240 277 N C -0.639 174.952 175.510 0.134 0.000 0.953 277 N CA 1.056 54.219 53.050 0.189 0.000 0.950 277 N CB -0.374 38.269 38.487 0.261 0.000 1.102 277 N HN 0.477 nan 8.380 nan 0.000 0.593 278 R N 0.983 121.495 120.500 0.021 0.000 2.449 278 R HA 0.213 4.871 4.340 0.530 0.000 0.296 278 R C 0.129 176.312 176.300 -0.195 0.000 1.047 278 R CA -0.206 55.767 56.100 -0.211 0.000 1.018 278 R CB 0.503 30.725 30.300 -0.130 0.000 0.962 278 R HN 0.151 nan 8.270 nan 0.000 0.428 279 L N 6.449 127.484 121.223 -0.313 0.000 2.325 279 L HA 0.391 5.049 4.340 0.530 0.000 0.281 279 L C -2.095 174.440 176.870 -0.557 0.000 1.004 279 L CA -1.987 52.624 54.840 -0.381 0.000 0.823 279 L CB 1.968 43.737 42.059 -0.482 0.000 1.236 279 L HN 0.399 nan 8.230 nan 0.000 0.415 280 P HA 0.114 nan 4.420 nan 0.000 0.225 280 P C -0.692 175.902 177.300 -1.177 0.000 1.813 280 P CA 0.030 62.328 63.100 -1.337 0.000 1.013 280 P CB -0.160 31.027 31.700 -0.855 0.000 1.961 281 L N 2.838 123.513 121.223 -0.913 0.000 2.260 281 L HA 0.249 4.907 4.340 0.530 0.000 0.289 281 L C 1.185 177.969 176.870 -0.142 0.000 1.057 281 L CA -0.881 53.643 54.840 -0.527 0.000 0.811 281 L CB 0.676 42.291 42.059 -0.739 0.000 1.184 281 L HN 0.074 nan 8.230 nan 0.000 0.429 282 L N 2.802 124.014 121.223 -0.018 0.000 2.517 282 L HA -0.067 4.591 4.340 0.530 0.000 0.294 282 L C 1.484 178.621 176.870 0.446 0.000 1.264 282 L CA 0.451 55.461 54.840 0.282 0.000 0.839 282 L CB 0.147 42.217 42.059 0.019 0.000 1.098 282 L HN 0.734 nan 8.230 nan 0.000 0.525 283 T N -5.251 109.548 114.554 0.408 0.000 2.985 283 T HA -0.028 4.640 4.350 0.530 0.000 0.254 283 T C 1.309 176.182 174.700 0.288 0.000 1.021 283 T CA 0.358 62.655 62.100 0.328 0.000 0.957 283 T CB -0.065 68.981 68.868 0.297 0.000 1.047 283 T HN 0.749 nan 8.240 nan 0.000 0.511 284 T N -0.631 114.038 114.554 0.192 0.000 3.148 284 T HA 0.272 4.941 4.350 0.530 0.000 0.253 284 T C 0.359 175.107 174.700 0.080 0.000 1.134 284 T CA -0.096 62.037 62.100 0.055 0.000 1.051 284 T CB -0.296 68.579 68.868 0.012 0.000 0.959 284 T HN 0.510 nan 8.240 nan 0.000 0.525 285 K N 0.893 121.375 120.400 0.136 0.000 2.560 285 K HA 0.203 4.841 4.320 0.530 0.000 0.276 285 K C -0.802 175.901 176.600 0.170 0.000 1.025 285 K CA -0.587 55.776 56.287 0.127 0.000 0.974 285 K CB 1.418 33.982 32.500 0.106 0.000 1.347 285 K HN 0.203 nan 8.250 nan 0.000 0.447 286 R N 3.049 123.652 120.500 0.171 0.000 2.583 286 R HA 0.076 4.734 4.340 0.530 0.000 0.274 286 R C -0.799 175.678 176.300 0.296 0.000 0.998 286 R CA 0.087 56.350 56.100 0.272 0.000 1.081 286 R CB 0.425 30.840 30.300 0.191 0.000 0.940 286 R HN 0.271 nan 8.270 nan 0.000 0.413 287 V N 6.057 126.192 119.914 0.367 0.000 2.612 287 V HA 0.182 4.620 4.120 0.530 0.000 0.301 287 V C 0.111 176.413 176.094 0.347 0.000 1.046 287 V CA -0.575 61.886 62.300 0.267 0.000 0.946 287 V CB 1.442 33.336 31.823 0.117 0.000 1.003 287 V HN 0.752 nan 8.190 nan 0.000 0.459 288 F N 4.297 124.346 119.950 0.164 0.000 2.652 288 F HA 0.102 4.949 4.527 0.532 0.000 0.352 288 F C 1.227 177.058 175.800 0.052 0.000 1.259 288 F CA -0.347 57.737 58.000 0.140 0.000 1.249 288 F CB -0.133 38.966 39.000 0.164 0.000 1.628 288 F HN 0.851 nan 8.300 nan 0.000 0.654 289 W N 4.946 126.159 121.300 -0.145 0.000 2.321 289 W HA -0.274 4.701 4.660 0.525 0.000 0.306 289 W C 1.737 177.948 176.519 -0.514 0.000 1.217 289 W CA 1.639 58.769 57.345 -0.359 0.000 1.257 289 W CB -0.267 29.019 29.460 -0.290 0.000 1.145 289 W HN 0.499 nan 8.180 nan 0.000 0.509 290 R N 0.310 120.367 120.500 -0.739 0.000 2.105 290 R HA -0.125 4.533 4.340 0.530 0.000 0.239 290 R C 2.603 178.232 176.300 -1.118 0.000 1.135 290 R CA 1.991 57.575 56.100 -0.860 0.000 0.967 290 R CB -0.999 29.047 30.300 -0.422 0.000 0.861 290 R HN 0.254 nan 8.270 nan 0.000 0.442 291 G N -0.594 107.135 108.800 -1.785 0.000 2.443 291 G HA2 -0.149 4.129 3.960 0.530 0.000 0.219 291 G HA3 -0.149 4.129 3.960 0.530 0.000 0.219 291 G C 1.312 175.888 174.900 -0.540 0.000 1.131 291 G CA 0.579 45.090 45.100 -0.981 0.000 0.775 291 G HN 0.184 nan 8.290 nan 0.000 0.547 292 V N 0.143 119.523 119.914 -0.889 0.000 2.244 292 V HA -0.183 4.255 4.120 0.530 0.000 0.244 292 V C 2.908 178.480 176.094 -0.870 0.000 1.042 292 V CA 1.709 63.376 62.300 -1.055 0.000 1.006 292 V CB -0.786 30.292 31.823 -1.240 0.000 0.641 292 V HN 0.503 nan 8.190 nan 0.000 0.446 293 C N 0.184 118.771 119.300 -1.188 0.000 2.413 293 C HA -0.151 4.627 4.460 0.530 0.000 0.276 293 C C 2.869 177.562 174.990 -0.494 0.000 1.236 293 C CA 1.237 59.709 59.018 -0.911 0.000 1.735 293 C CB -1.059 26.044 27.740 -1.061 0.000 2.031 293 C HN 0.594 nan 8.230 nan 0.000 0.474 294 E N 0.162 120.079 120.200 -0.472 0.000 2.110 294 E HA -0.192 4.476 4.350 0.530 0.000 0.193 294 E C 2.105 178.548 176.600 -0.261 0.000 0.988 294 E CA 1.145 57.364 56.400 -0.302 0.000 0.804 294 E CB -0.533 28.985 29.700 -0.302 0.000 0.745 294 E HN 0.775 nan 8.360 nan 0.000 0.458 295 E N 0.545 120.550 120.200 -0.325 0.000 2.051 295 E HA -0.133 4.535 4.350 0.530 0.000 0.189 295 E C 2.291 178.624 176.600 -0.446 0.000 0.979 295 E CA 0.301 56.480 56.400 -0.367 0.000 0.803 295 E CB 0.001 29.535 29.700 -0.276 0.000 0.761 295 E HN 0.084 nan 8.360 nan 0.000 0.451 296 L N 1.107 122.149 121.223 -0.301 0.000 1.970 296 L HA -0.218 4.440 4.340 0.530 0.000 0.212 296 L C 2.297 179.173 176.870 0.010 0.000 1.071 296 L CA 1.497 56.300 54.840 -0.062 0.000 0.751 296 L CB -0.741 41.267 42.059 -0.086 0.000 0.889 296 L HN 0.196 nan 8.230 nan 0.000 0.432 297 L N -1.042 120.160 121.223 -0.034 0.000 2.051 297 L HA -0.270 4.388 4.340 0.530 0.000 0.214 297 L C 2.287 179.212 176.870 0.092 0.000 1.076 297 L CA 2.163 57.030 54.840 0.045 0.000 0.758 297 L CB -1.500 40.573 42.059 0.023 0.000 0.890 297 L HN 0.672 nan 8.230 nan 0.000 0.433 298 W N -0.722 120.461 121.300 -0.194 0.000 2.358 298 W HA -0.252 4.725 4.660 0.529 0.000 0.303 298 W C 2.346 178.780 176.519 -0.142 0.000 1.208 298 W CA 1.272 58.496 57.345 -0.201 0.000 1.274 298 W CB -0.387 28.873 29.460 -0.334 0.000 1.138 298 W HN 0.093 nan 8.180 nan 0.000 0.515 299 F N 0.290 120.220 119.950 -0.033 0.000 2.069 299 F HA -0.260 4.587 4.527 0.533 0.000 0.298 299 F C 2.391 178.023 175.800 -0.280 0.000 1.113 299 F CA 1.235 58.995 58.000 -0.400 0.000 1.214 299 F CB -1.612 37.057 39.000 -0.551 0.000 0.978 299 F HN -0.232 nan 8.300 nan 0.000 0.474 300 L N 0.057 121.390 121.223 0.182 0.000 2.089 300 L HA -0.240 4.418 4.340 0.530 0.000 0.213 300 L C 2.080 178.994 176.870 0.073 0.000 1.079 300 L CA 1.814 56.764 54.840 0.182 0.000 0.758 300 L CB -1.280 40.879 42.059 0.166 0.000 0.891 300 L HN 0.223 nan 8.230 nan 0.000 0.433 301 R N -0.495 120.017 120.500 0.019 0.000 2.325 301 R HA 0.095 4.753 4.340 0.530 0.000 0.214 301 R C 1.332 177.598 176.300 -0.058 0.000 0.961 301 R CA 0.548 56.648 56.100 -0.001 0.000 1.086 301 R CB -0.249 30.064 30.300 0.021 0.000 1.037 301 R HN 0.500 nan 8.270 nan 0.000 0.493 302 G N 1.665 110.390 108.800 -0.123 0.000 2.200 302 G HA2 -0.353 3.926 3.960 0.530 0.000 0.267 302 G HA3 -0.353 3.926 3.960 0.530 0.000 0.267 302 G C 0.007 174.794 174.900 -0.188 0.000 0.993 302 G CA 0.418 45.430 45.100 -0.148 0.000 0.701 302 G HN 0.363 nan 8.290 nan 0.000 0.524 303 E N -0.018 119.939 120.200 -0.405 0.000 2.437 303 E HA 0.417 5.085 4.350 0.530 0.000 0.263 303 E C 1.731 177.883 176.600 -0.746 0.000 1.030 303 E CA 1.134 57.210 56.400 -0.540 0.000 0.934 303 E CB 0.507 29.671 29.700 -0.892 0.000 0.943 303 E HN 0.546 nan 8.360 nan 0.000 0.444 304 T N 0.220 114.634 114.554 -0.234 0.000 3.009 304 T HA 0.060 4.728 4.350 0.530 0.000 0.267 304 T C -0.090 174.746 174.700 0.225 0.000 0.942 304 T CA -0.357 61.664 62.100 -0.132 0.000 0.883 304 T CB -0.190 68.654 68.868 -0.040 0.000 1.192 304 T HN 0.332 nan 8.240 nan 0.000 0.524 305 Y N 2.890 123.301 120.300 0.184 0.000 2.452 305 Y HA 0.716 5.584 4.550 0.530 0.000 0.348 305 Y C 1.309 177.351 175.900 0.237 0.000 0.985 305 Y CA -1.967 56.175 58.100 0.069 0.000 1.214 305 Y CB 0.741 39.146 38.460 -0.091 0.000 1.136 305 Y HN 0.223 nan 8.280 nan 0.000 0.523 306 A N 5.461 128.284 122.820 0.005 0.000 2.066 306 A HA -0.108 4.531 4.320 0.530 0.000 0.218 306 A C 2.249 179.548 177.584 -0.474 0.000 1.157 306 A CA 1.190 53.027 52.037 -0.333 0.000 0.670 306 A CB -0.423 18.443 19.000 -0.223 0.000 0.804 306 A HN 0.822 nan 8.150 nan 0.000 0.453 307 K N 0.465 120.393 120.400 -0.787 0.000 2.211 307 K HA -0.203 4.436 4.320 0.530 0.000 0.204 307 K C 1.744 178.066 176.600 -0.463 0.000 1.047 307 K CA 1.697 57.563 56.287 -0.701 0.000 0.935 307 K CB -0.157 31.680 32.500 -1.105 0.000 0.728 307 K HN 0.502 nan 8.250 nan 0.000 0.452 308 K N 0.210 120.355 120.400 -0.425 0.000 2.026 308 K HA -0.113 4.525 4.320 0.530 0.000 0.208 308 K C 1.925 178.364 176.600 -0.267 0.000 1.048 308 K CA 1.120 57.283 56.287 -0.206 0.000 0.929 308 K CB -0.065 32.440 32.500 0.007 0.000 0.713 308 K HN 0.143 nan 8.250 nan 0.000 0.439 309 L N 0.744 121.700 121.223 -0.445 0.000 2.217 309 L HA -0.039 4.619 4.340 0.530 0.000 0.211 309 L C 2.369 179.053 176.870 -0.309 0.000 1.107 309 L CA 1.280 55.867 54.840 -0.422 0.000 0.783 309 L CB -1.246 40.465 42.059 -0.580 0.000 0.919 309 L HN 0.131 nan 8.230 nan 0.000 0.442 310 S N -0.146 115.391 115.700 -0.272 0.000 2.368 310 S HA -0.132 4.656 4.470 0.530 0.000 0.224 310 S C 1.339 175.840 174.600 -0.164 0.000 1.029 310 S CA 0.995 59.082 58.200 -0.188 0.000 0.988 310 S CB -0.006 63.146 63.200 -0.081 0.000 0.838 310 S HN 0.417 nan 8.310 nan 0.000 0.462 311 D N 0.718 121.033 120.400 -0.141 0.000 2.378 311 D HA 0.044 5.002 4.640 0.530 0.000 0.227 311 D C 1.083 177.328 176.300 -0.092 0.000 1.012 311 D CA 0.634 54.582 54.000 -0.087 0.000 0.905 311 D CB 0.060 40.820 40.800 -0.067 0.000 0.895 311 D HN 0.420 nan 8.370 nan 0.000 0.532 312 K N -0.927 119.388 120.400 -0.142 0.000 2.387 312 K HA 0.256 4.895 4.320 0.530 0.000 0.203 312 K C 1.064 177.584 176.600 -0.134 0.000 1.030 312 K CA 0.222 56.435 56.287 -0.122 0.000 1.099 312 K CB 1.645 34.066 32.500 -0.132 0.000 0.863 312 K HN 0.047 nan 8.250 nan 0.000 0.529 313 G N 1.028 109.689 108.800 -0.232 0.000 2.241 313 G HA2 -0.243 4.035 3.960 0.530 0.000 0.244 313 G HA3 -0.243 4.035 3.960 0.530 0.000 0.244 313 G C 0.164 174.847 174.900 -0.362 0.000 0.998 313 G CA -0.037 44.902 45.100 -0.269 0.000 0.621 313 G HN 0.096 nan 8.290 nan 0.000 0.519 314 V N 2.812 122.567 119.914 -0.266 0.000 2.405 314 V HA 0.376 4.814 4.120 0.530 0.000 0.264 314 V C 1.022 176.957 176.094 -0.265 0.000 1.048 314 V CA -0.199 62.031 62.300 -0.118 0.000 0.966 314 V CB 0.904 32.642 31.823 -0.141 0.000 1.015 314 V HN 0.361 nan 8.190 nan 0.000 0.477 315 H N 5.109 124.187 119.070 0.013 0.000 2.594 315 H HA 0.196 5.070 4.556 0.530 0.000 0.279 315 H C 1.911 177.195 175.328 -0.074 0.000 1.042 315 H CA 0.142 56.165 56.048 -0.042 0.000 1.177 315 H CB 0.465 30.196 29.762 -0.051 0.000 1.524 315 H HN 0.791 nan 8.280 nan 0.000 0.537 316 I N -2.822 117.738 120.570 -0.017 0.000 2.623 316 I HA -0.203 4.286 4.170 0.530 0.000 0.261 316 I C 1.071 176.987 176.117 -0.334 0.000 1.204 316 I CA 1.431 62.605 61.300 -0.210 0.000 1.444 316 I CB -0.325 37.464 38.000 -0.352 0.000 1.094 316 I HN 0.041 nan 8.210 nan 0.000 0.451 317 W N 1.134 122.353 121.300 -0.135 0.000 3.005 317 W HA 0.205 5.182 4.660 0.527 0.000 0.374 317 W C 1.571 178.030 176.519 -0.100 0.000 1.076 317 W CA -0.508 56.764 57.345 -0.122 0.000 1.794 317 W CB 0.133 29.492 29.460 -0.169 0.000 1.113 317 W HN 0.002 nan 8.180 nan 0.000 0.584 318 D N 0.832 121.290 120.400 0.097 0.000 2.088 318 D HA -0.222 4.736 4.640 0.530 0.000 0.191 318 D C 1.612 177.913 176.300 0.002 0.000 0.992 318 D CA 1.808 55.837 54.000 0.048 0.000 0.831 318 D CB -0.524 40.276 40.800 0.001 0.000 0.973 318 D HN 0.075 nan 8.370 nan 0.000 0.447 319 D N 0.406 120.766 120.400 -0.066 0.000 2.149 319 D HA -0.145 4.813 4.640 0.530 0.000 0.194 319 D C 1.131 177.284 176.300 -0.245 0.000 1.001 319 D CA 0.996 54.921 54.000 -0.125 0.000 0.849 319 D CB -0.508 40.196 40.800 -0.160 0.000 0.939 319 D HN 0.291 nan 8.370 nan 0.000 0.449 320 N N -0.664 117.861 118.700 -0.292 0.000 2.370 320 N HA 0.140 5.198 4.740 0.530 0.000 0.198 320 N C 1.217 176.727 175.510 -0.001 0.000 1.156 320 N CA 0.303 53.012 53.050 -0.567 0.000 0.839 320 N CB 0.651 38.934 38.487 -0.340 0.000 0.989 320 N HN 0.100 nan 8.380 nan 0.000 0.468 321 G N -0.518 108.346 108.800 0.106 0.000 3.441 321 G HA2 0.012 4.290 3.960 0.530 0.000 0.263 321 G HA3 0.012 4.290 3.960 0.530 0.000 0.263 321 G C 0.143 175.154 174.900 0.186 0.000 1.014 321 G CA -0.349 44.871 45.100 0.199 0.000 0.833 321 G HN 0.291 nan 8.290 nan 0.000 0.514 322 S N -0.147 115.655 115.700 0.171 0.000 2.572 322 S HA 0.248 5.036 4.470 0.530 0.000 0.279 322 S C 1.427 176.143 174.600 0.193 0.000 1.341 322 S CA -0.312 57.982 58.200 0.157 0.000 1.043 322 S CB 2.085 65.364 63.200 0.133 0.000 0.887 322 S HN 0.157 nan 8.310 nan 0.000 0.516 323 R N 2.233 122.818 120.500 0.141 0.000 2.127 323 R HA -0.064 4.594 4.340 0.530 0.000 0.238 323 R C 2.198 178.566 176.300 0.113 0.000 1.134 323 R CA 1.963 58.138 56.100 0.125 0.000 0.975 323 R CB -1.341 29.015 30.300 0.094 0.000 0.865 323 R HN 0.858 nan 8.270 nan 0.000 0.447 324 A N -0.258 122.632 122.820 0.117 0.000 1.841 324 A HA -0.125 4.513 4.320 0.530 0.000 0.214 324 A C 2.120 179.771 177.584 0.112 0.000 1.195 324 A CA 1.379 53.474 52.037 0.097 0.000 0.611 324 A CB -1.023 18.037 19.000 0.099 0.000 0.835 324 A HN 0.438 nan 8.150 nan 0.000 0.443 325 F N 0.352 120.325 119.950 0.039 0.000 2.043 325 F HA -0.226 4.619 4.527 0.530 0.000 0.297 325 F C 1.933 177.756 175.800 0.038 0.000 1.121 325 F CA 2.024 60.050 58.000 0.042 0.000 1.199 325 F CB -0.517 38.521 39.000 0.063 0.000 0.968 325 F HN 0.142 nan 8.300 nan 0.000 0.478 326 L N 0.569 121.903 121.223 0.184 0.000 2.051 326 L HA -0.304 4.354 4.340 0.530 0.000 0.214 326 L C 2.125 178.941 176.870 -0.089 0.000 1.076 326 L CA 2.087 56.966 54.840 0.066 0.000 0.758 326 L CB -1.160 41.006 42.059 0.178 0.000 0.890 326 L HN 0.192 nan 8.230 nan 0.000 0.433 327 D N -1.487 118.884 120.400 -0.049 0.000 2.224 327 D HA -0.097 4.862 4.640 0.530 0.000 0.205 327 D C 2.270 178.495 176.300 -0.125 0.000 0.965 327 D CA 1.334 55.290 54.000 -0.073 0.000 0.852 327 D CB -0.112 40.673 40.800 -0.024 0.000 0.947 327 D HN 0.443 nan 8.370 nan 0.000 0.494 328 S N -0.081 115.516 115.700 -0.172 0.000 2.603 328 S HA -0.020 4.768 4.470 0.530 0.000 0.229 328 S C 1.579 176.016 174.600 -0.272 0.000 0.972 328 S CA 0.335 58.411 58.200 -0.206 0.000 0.935 328 S CB 0.122 63.187 63.200 -0.224 0.000 0.769 328 S HN 0.012 nan 8.310 nan 0.000 0.536 329 R N 0.134 120.450 120.500 -0.305 0.000 2.437 329 R HA 0.292 4.950 4.340 0.530 0.000 0.257 329 R C 1.474 177.642 176.300 -0.220 0.000 0.927 329 R CA 0.543 56.471 56.100 -0.286 0.000 1.078 329 R CB -0.151 29.948 30.300 -0.334 0.000 1.161 329 R HN 0.588 nan 8.270 nan 0.000 0.529 330 G N 1.488 110.174 108.800 -0.190 0.000 2.143 330 G HA2 -0.250 4.028 3.960 0.530 0.000 0.248 330 G HA3 -0.250 4.028 3.960 0.530 0.000 0.248 330 G C 0.298 175.063 174.900 -0.225 0.000 0.991 330 G CA 0.119 45.120 45.100 -0.166 0.000 0.689 330 G HN 0.304 nan 8.290 nan 0.000 0.522 331 L N 1.942 122.983 121.223 -0.303 0.000 3.035 331 L HA 0.215 4.873 4.340 0.530 0.000 0.232 331 L C 2.333 179.035 176.870 -0.280 0.000 1.341 331 L CA 0.387 54.903 54.840 -0.540 0.000 1.177 331 L CB -0.274 41.285 42.059 -0.834 0.000 1.555 331 L HN 0.395 nan 8.230 nan 0.000 0.473 332 T N -3.252 111.218 114.554 -0.140 0.000 2.849 332 T HA -0.205 4.463 4.350 0.530 0.000 0.270 332 T C 1.561 176.297 174.700 0.060 0.000 1.066 332 T CA 1.364 63.448 62.100 -0.026 0.000 1.130 332 T CB -0.072 68.782 68.868 -0.023 0.000 0.864 332 T HN 0.592 nan 8.240 nan 0.000 0.481 333 E N 0.024 120.278 120.200 0.090 0.000 2.435 333 E HA -0.071 4.597 4.350 0.530 0.000 0.195 333 E C -0.322 176.560 176.600 0.470 0.000 1.029 333 E CA -0.053 56.495 56.400 0.246 0.000 0.865 333 E CB -0.374 29.468 29.700 0.236 0.000 0.833 333 E HN 0.499 nan 8.360 nan 0.000 0.510 334 Y N 2.665 123.067 120.300 0.170 0.000 2.465 334 Y HA 0.136 5.004 4.550 0.530 0.000 0.331 334 Y C 0.973 176.990 175.900 0.195 0.000 1.102 334 Y CA -1.344 56.890 58.100 0.223 0.000 1.358 334 Y CB 0.199 38.764 38.460 0.175 0.000 1.213 334 Y HN 0.064 nan 8.280 nan 0.000 0.525 335 E N 2.556 122.961 120.200 0.341 0.000 2.404 335 E HA -0.022 4.646 4.350 0.530 0.000 0.261 335 E C -0.340 176.408 176.600 0.246 0.000 1.074 335 E CA -0.447 56.090 56.400 0.228 0.000 0.917 335 E CB 0.590 30.395 29.700 0.175 0.000 0.965 335 E HN 0.738 nan 8.360 nan 0.000 0.433 336 E N 3.152 123.474 120.200 0.204 0.000 2.529 336 E HA -0.151 4.517 4.350 0.530 0.000 0.259 336 E C 0.178 176.918 176.600 0.232 0.000 0.966 336 E CA 0.258 56.777 56.400 0.198 0.000 0.937 336 E CB 0.235 30.023 29.700 0.147 0.000 0.923 336 E HN 0.546 nan 8.360 nan 0.000 0.468 337 M N 1.479 121.206 119.600 0.212 0.000 3.019 337 M HA -0.205 4.593 4.480 0.530 0.000 0.214 337 M C -0.518 175.935 176.300 0.254 0.000 0.577 337 M CA 0.708 56.114 55.300 0.176 0.000 0.816 337 M CB -1.886 30.740 32.600 0.044 0.000 2.911 337 M HN 0.614 nan 8.290 nan 0.000 0.302 338 D N 1.835 122.392 120.400 0.261 0.000 2.393 338 D HA 0.448 5.406 4.640 0.530 0.000 0.232 338 D C 1.067 177.481 176.300 0.190 0.000 1.192 338 D CA -0.088 54.015 54.000 0.171 0.000 0.882 338 D CB 0.357 41.242 40.800 0.141 0.000 1.038 338 D HN 0.428 nan 8.370 nan 0.000 0.499 339 L N 2.971 124.265 121.223 0.118 0.000 2.291 339 L HA 0.156 4.815 4.340 0.530 0.000 0.214 339 L C 1.632 178.516 176.870 0.024 0.000 1.120 339 L CA 0.651 55.550 54.840 0.099 0.000 0.799 339 L CB -0.630 41.394 42.059 -0.059 0.000 0.925 339 L HN 0.657 nan 8.230 nan 0.000 0.446 340 G N -0.156 108.457 108.800 -0.312 0.000 2.447 340 G HA2 -0.148 4.130 3.960 0.530 0.000 0.220 340 G HA3 -0.148 4.130 3.960 0.530 0.000 0.220 340 G C -2.660 171.428 174.900 -1.352 0.000 1.261 340 G CA -0.396 44.213 45.100 -0.818 0.000 1.000 340 G HN -0.064 nan 8.290 nan 0.000 0.515 341 P HA 0.375 nan 4.420 nan 0.000 0.218 341 P C 0.617 177.609 177.300 -0.513 0.000 1.793 341 P CA 0.355 62.697 63.100 -1.264 0.000 0.941 341 P CB -0.111 30.782 31.700 -1.346 0.000 1.919 342 V N -1.680 117.997 119.914 -0.395 0.000 2.904 342 V HA 0.256 4.694 4.120 0.530 0.000 0.305 342 V C 1.141 177.140 176.094 -0.159 0.000 1.067 342 V CA -0.457 61.688 62.300 -0.257 0.000 1.044 342 V CB -0.261 31.454 31.823 -0.178 0.000 1.050 342 V HN 0.218 nan 8.190 nan 0.000 0.475 343 Y N 2.697 122.914 120.300 -0.140 0.000 2.447 343 Y HA -0.410 4.456 4.550 0.527 0.000 0.422 343 Y C 2.443 177.899 175.900 -0.740 0.000 0.962 343 Y CA 2.935 60.792 58.100 -0.405 0.000 2.677 343 Y CB -2.159 36.008 38.460 -0.489 0.000 0.964 343 Y HN 0.885 nan 8.280 nan 0.000 0.655 344 G N -1.083 107.306 108.800 -0.684 0.000 2.550 344 G HA2 -0.342 3.936 3.960 0.530 0.000 0.222 344 G HA3 -0.342 3.936 3.960 0.530 0.000 0.222 344 G C 1.417 176.180 174.900 -0.229 0.000 1.113 344 G CA 1.361 46.083 45.100 -0.629 0.000 0.748 344 G HN 0.514 nan 8.290 nan 0.000 0.585 345 F N 1.010 120.804 119.950 -0.259 0.000 2.134 345 F HA -0.069 4.776 4.527 0.531 0.000 0.299 345 F C 2.836 178.631 175.800 -0.009 0.000 1.097 345 F CA 1.875 59.809 58.000 -0.110 0.000 1.264 345 F CB 0.050 38.909 39.000 -0.235 0.000 1.001 345 F HN 0.096 nan 8.300 nan 0.000 0.479 346 Q N -0.796 119.116 119.800 0.187 0.000 2.230 346 Q HA -0.161 4.497 4.340 0.530 0.000 0.202 346 Q C 2.026 178.282 176.000 0.426 0.000 0.963 346 Q CA 1.094 57.046 55.803 0.248 0.000 0.866 346 Q CB -0.730 28.163 28.738 0.258 0.000 0.931 346 Q HN 0.517 nan 8.270 nan 0.000 0.452 347 W N 1.490 122.848 121.300 0.096 0.000 2.378 347 W HA -0.083 4.912 4.660 0.558 0.000 0.313 347 W C 2.084 178.541 176.519 -0.104 0.000 1.197 347 W CA 0.684 58.055 57.345 0.043 0.000 1.304 347 W CB -0.455 28.957 29.460 -0.080 0.000 1.148 347 W HN 0.134 nan 8.180 nan 0.000 0.494 348 R N -1.121 119.345 120.500 -0.057 0.000 2.210 348 R HA 0.029 4.687 4.340 0.530 0.000 0.203 348 R C 0.200 176.053 176.300 -0.746 0.000 1.010 348 R CA 0.883 56.714 56.100 -0.449 0.000 1.008 348 R CB -0.867 29.013 30.300 -0.701 0.000 0.923 348 R HN 0.305 nan 8.270 nan 0.000 0.469 349 H N -0.775 118.141 119.070 -0.257 0.000 2.716 349 H HA 0.157 5.033 4.556 0.534 0.000 0.230 349 H C -0.772 174.460 175.328 -0.160 0.000 1.401 349 H CA -1.094 54.741 56.048 -0.356 0.000 1.168 349 H CB -0.610 28.583 29.762 -0.947 0.000 1.935 349 H HN -0.056 nan 8.280 nan 0.000 0.538 350 F N 2.055 122.019 119.950 0.024 0.000 2.580 350 F HA 0.147 4.995 4.527 0.534 0.000 0.398 350 F C 1.569 177.447 175.800 0.130 0.000 1.023 350 F CA 1.999 60.065 58.000 0.110 0.000 1.188 350 F CB 0.442 39.513 39.000 0.118 0.000 1.005 350 F HN 0.692 nan 8.300 nan 0.000 0.546 351 G N 3.743 112.326 108.800 -0.363 0.000 2.168 351 G HA2 -0.216 4.062 3.960 0.530 0.000 0.263 351 G HA3 -0.216 4.062 3.960 0.530 0.000 0.263 351 G C 0.317 175.265 174.900 0.080 0.000 0.977 351 G CA 0.100 45.115 45.100 -0.143 0.000 0.659 351 G HN 1.322 nan 8.290 nan 0.000 0.533 352 A N 0.068 123.007 122.820 0.198 0.000 2.445 352 A HA 0.746 5.384 4.320 0.530 0.000 0.242 352 A C 1.077 178.823 177.584 0.269 0.000 1.075 352 A CA 0.898 53.083 52.037 0.246 0.000 0.777 352 A CB 0.375 19.521 19.000 0.243 0.000 1.013 352 A HN 2.106 nan 8.150 nan 0.000 0.493 353 A N 1.276 124.214 122.820 0.198 0.000 2.492 353 A HA 0.437 5.075 4.320 0.530 0.000 0.254 353 A C -0.438 177.254 177.584 0.181 0.000 1.091 353 A CA 0.205 52.327 52.037 0.141 0.000 0.768 353 A CB -0.312 18.744 19.000 0.093 0.000 1.028 353 A HN 0.915 nan 8.150 nan 0.000 0.498 354 Y N 2.366 122.607 120.300 -0.098 0.000 2.341 354 Y HA 0.431 5.300 4.550 0.531 0.000 0.337 354 Y C 1.332 177.144 175.900 -0.146 0.000 1.014 354 Y CA 0.512 58.480 58.100 -0.220 0.000 1.111 354 Y CB 1.899 40.032 38.460 -0.545 0.000 1.194 354 Y HN 0.827 nan 8.280 nan 0.000 0.462 355 T N 0.606 114.851 114.554 -0.515 0.000 3.272 355 T HA 0.337 5.006 4.350 0.530 0.000 0.247 355 T C -0.206 173.874 174.700 -1.032 0.000 0.990 355 T CA 0.140 61.922 62.100 -0.531 0.000 1.213 355 T CB 0.164 68.841 68.868 -0.319 0.000 1.124 355 T HN 0.547 nan 8.240 nan 0.000 0.401 356 H N 0.306 118.952 119.070 -0.708 0.000 3.016 356 H HA 0.330 5.204 4.556 0.530 0.000 0.362 356 H C 0.510 175.456 175.328 -0.637 0.000 1.233 356 H CA -0.212 55.462 56.048 -0.625 0.000 1.124 356 H CB 1.276 30.812 29.762 -0.375 0.000 1.850 356 H HN 0.428 nan 8.280 nan 0.000 0.549 357 H N 0.254 119.188 119.070 -0.226 0.000 2.545 357 H HA -0.041 4.833 4.556 0.530 0.000 0.282 357 H C 0.091 175.383 175.328 -0.060 0.000 1.020 357 H CA 0.938 56.957 56.048 -0.048 0.000 1.243 357 H CB 0.166 29.898 29.762 -0.051 0.000 1.377 357 H HN 0.477 nan 8.280 nan 0.000 0.581 358 D N 2.047 121.988 120.400 -0.765 0.000 2.077 358 D HA -0.007 4.952 4.640 0.530 0.000 0.196 358 D C 1.164 177.257 176.300 -0.346 0.000 0.986 358 D CA 0.996 54.648 54.000 -0.580 0.000 0.829 358 D CB -0.309 40.164 40.800 -0.546 0.000 0.983 358 D HN 0.475 nan 8.370 nan 0.000 0.453 359 A N 1.671 124.259 122.820 -0.386 0.000 2.632 359 A HA -0.124 4.514 4.320 0.530 0.000 0.229 359 A C 0.630 177.786 177.584 -0.713 0.000 1.047 359 A CA 0.229 51.935 52.037 -0.552 0.000 0.754 359 A CB -0.103 18.468 19.000 -0.716 0.000 0.969 359 A HN 0.263 nan 8.150 nan 0.000 0.509 360 N N 0.891 119.222 118.700 -0.614 0.000 2.514 360 N HA 0.221 5.279 4.740 0.530 0.000 0.277 360 N C -0.777 174.293 175.510 -0.734 0.000 1.126 360 N CA 0.077 52.833 53.050 -0.490 0.000 0.978 360 N CB 0.438 38.741 38.487 -0.307 0.000 1.106 360 N HN 0.559 nan 8.380 nan 0.000 0.461 361 Y N 0.398 120.527 120.300 -0.285 0.000 2.588 361 Y HA 0.241 5.109 4.550 0.531 0.000 0.247 361 Y C -0.362 175.225 175.900 -0.520 0.000 1.157 361 Y CA -0.707 57.113 58.100 -0.468 0.000 1.215 361 Y CB 0.260 38.287 38.460 -0.722 0.000 1.245 361 Y HN 0.420 nan 8.280 nan 0.000 0.534 362 D N 0.261 120.432 120.400 -0.381 0.000 2.525 362 D HA 0.259 5.217 4.640 0.530 0.000 0.235 362 D C 1.544 177.475 176.300 -0.614 0.000 1.137 362 D CA 1.937 55.497 54.000 -0.732 0.000 0.868 362 D CB 0.798 40.747 40.800 -1.418 0.000 1.180 362 D HN 0.483 nan 8.370 nan 0.000 0.465 363 G N 1.822 110.380 108.800 -0.403 0.000 2.435 363 G HA2 -0.312 3.966 3.960 0.530 0.000 0.245 363 G HA3 -0.312 3.966 3.960 0.530 0.000 0.245 363 G C 0.300 175.239 174.900 0.066 0.000 1.073 363 G CA 0.033 45.127 45.100 -0.010 0.000 0.638 363 G HN 0.545 nan 8.290 nan 0.000 0.521 364 Q N 1.444 121.261 119.800 0.028 0.000 2.349 364 Q HA 0.414 5.072 4.340 0.530 0.000 0.287 364 Q C 1.220 177.318 176.000 0.163 0.000 1.044 364 Q CA 1.068 56.915 55.803 0.073 0.000 0.918 364 Q CB 0.491 29.240 28.738 0.018 0.000 1.242 364 Q HN 1.847 nan 8.270 nan 0.000 0.405 365 G N 0.977 109.859 108.800 0.137 0.000 2.641 365 G HA2 -0.258 4.020 3.960 0.530 0.000 0.254 365 G HA3 -0.258 4.020 3.960 0.530 0.000 0.254 365 G C -0.591 174.403 174.900 0.155 0.000 1.315 365 G CA -0.340 44.854 45.100 0.157 0.000 0.907 365 G HN 0.533 nan 8.290 nan 0.000 0.572 366 V N 1.193 121.218 119.914 0.185 0.000 2.370 366 V HA 0.427 4.865 4.120 0.530 0.000 0.279 366 V C 0.080 176.236 176.094 0.104 0.000 1.029 366 V CA 0.074 62.464 62.300 0.150 0.000 0.870 366 V CB 1.631 33.558 31.823 0.173 0.000 0.984 366 V HN 0.767 nan 8.190 nan 0.000 0.451 367 D N 4.148 124.577 120.400 0.048 0.000 2.494 367 D HA 0.163 5.122 4.640 0.530 0.000 0.217 367 D C 1.173 177.487 176.300 0.025 0.000 1.153 367 D CA -0.006 53.987 54.000 -0.011 0.000 0.954 367 D CB 1.029 41.811 40.800 -0.029 0.000 1.034 367 D HN 0.607 nan 8.370 nan 0.000 0.518 368 Q N 2.295 122.132 119.800 0.061 0.000 2.096 368 Q HA -0.161 4.497 4.340 0.530 0.000 0.204 368 Q C 1.800 177.818 176.000 0.031 0.000 0.982 368 Q CA 1.092 56.939 55.803 0.074 0.000 0.850 368 Q CB 0.317 29.147 28.738 0.154 0.000 0.901 368 Q HN 0.600 nan 8.270 nan 0.000 0.422 369 I N 1.019 121.566 120.570 -0.038 0.000 2.202 369 I HA -0.248 4.240 4.170 0.530 0.000 0.242 369 I C 2.333 178.418 176.117 -0.053 0.000 1.091 369 I CA 1.404 62.647 61.300 -0.095 0.000 1.368 369 I CB -1.016 36.898 38.000 -0.143 0.000 1.058 369 I HN 0.239 nan 8.210 nan 0.000 0.410 370 K N 1.331 121.717 120.400 -0.023 0.000 2.152 370 K HA -0.157 4.481 4.320 0.530 0.000 0.206 370 K C 2.124 178.722 176.600 -0.003 0.000 1.048 370 K CA 1.541 57.826 56.287 -0.003 0.000 0.933 370 K CB 0.037 32.551 32.500 0.023 0.000 0.721 370 K HN 0.285 nan 8.250 nan 0.000 0.447 371 A N 0.866 123.689 122.820 0.004 0.000 1.970 371 A HA -0.017 4.622 4.320 0.530 0.000 0.216 371 A C 1.974 179.558 177.584 0.001 0.000 1.170 371 A CA 0.865 52.909 52.037 0.011 0.000 0.645 371 A CB -0.297 18.718 19.000 0.025 0.000 0.816 371 A HN 0.308 nan 8.150 nan 0.000 0.447 372 I N -0.438 120.129 120.570 -0.005 0.000 2.439 372 I HA -0.160 4.329 4.170 0.530 0.000 0.251 372 I C 2.200 178.254 176.117 -0.105 0.000 1.139 372 I CA 0.719 62.005 61.300 -0.024 0.000 1.438 372 I CB -0.124 37.876 38.000 -0.000 0.000 1.085 372 I HN 0.135 nan 8.210 nan 0.000 0.427 373 V N 0.574 120.424 119.914 -0.107 0.000 2.358 373 V HA -0.207 4.231 4.120 0.530 0.000 0.246 373 V C 2.422 178.475 176.094 -0.068 0.000 1.047 373 V CA 1.618 63.852 62.300 -0.110 0.000 1.035 373 V CB -0.522 31.254 31.823 -0.078 0.000 0.658 373 V HN 0.370 nan 8.190 nan 0.000 0.452 374 E N 0.017 120.194 120.200 -0.039 0.000 2.152 374 E HA -0.119 4.549 4.350 0.530 0.000 0.192 374 E C 2.290 178.875 176.600 -0.024 0.000 0.983 374 E CA 1.522 57.907 56.400 -0.024 0.000 0.818 374 E CB -0.424 29.271 29.700 -0.008 0.000 0.758 374 E HN 0.594 nan 8.360 nan 0.000 0.467 375 T N 1.579 116.119 114.554 -0.023 0.000 2.851 375 T HA -0.061 4.607 4.350 0.530 0.000 0.262 375 T C 1.844 176.526 174.700 -0.029 0.000 1.043 375 T CA 0.241 62.331 62.100 -0.017 0.000 1.140 375 T CB -0.182 68.686 68.868 -0.002 0.000 0.872 375 T HN -0.006 nan 8.240 nan 0.000 0.446 376 L N 1.425 122.619 121.223 -0.047 0.000 2.081 376 L HA -0.067 4.592 4.340 0.530 0.000 0.212 376 L C 2.073 178.911 176.870 -0.054 0.000 1.080 376 L CA 1.760 56.563 54.840 -0.061 0.000 0.754 376 L CB -0.522 41.470 42.059 -0.112 0.000 0.893 376 L HN 0.188 nan 8.230 nan 0.000 0.433 377 K N -1.999 118.372 120.400 -0.049 0.000 2.418 377 K HA 0.031 4.669 4.320 0.530 0.000 0.195 377 K C 1.534 178.115 176.600 -0.031 0.000 1.035 377 K CA 1.146 57.409 56.287 -0.040 0.000 1.003 377 K CB 0.151 32.628 32.500 -0.038 0.000 0.793 377 K HN 0.540 nan 8.250 nan 0.000 0.494 378 T N -3.172 111.365 114.554 -0.027 0.000 2.964 378 T HA 0.065 4.733 4.350 0.530 0.000 0.250 378 T C 0.504 175.191 174.700 -0.022 0.000 0.982 378 T CA -0.168 61.919 62.100 -0.022 0.000 0.959 378 T CB 0.191 69.050 68.868 -0.016 0.000 1.141 378 T HN -0.064 nan 8.240 nan 0.000 0.494 379 N N 1.875 120.560 118.700 -0.024 0.000 2.700 379 N HA 0.291 5.349 4.740 0.530 0.000 0.242 379 N C -2.519 172.971 175.510 -0.032 0.000 1.541 379 N CA -1.707 51.328 53.050 -0.025 0.000 0.764 379 N CB 1.416 39.893 38.487 -0.017 0.000 1.319 379 N HN -0.006 nan 8.380 nan 0.000 0.518 380 P HA -0.016 nan 4.420 nan 0.000 0.234 380 P C -0.238 177.007 177.300 -0.091 0.000 1.162 380 P CA 0.866 63.929 63.100 -0.061 0.000 0.759 380 P CB 0.468 32.127 31.700 -0.069 0.000 0.813 381 D N -0.751 119.602 120.400 -0.079 0.000 2.369 381 D HA 0.009 4.967 4.640 0.530 0.000 0.211 381 D C 0.671 176.944 176.300 -0.044 0.000 1.077 381 D CA 0.011 53.953 54.000 -0.097 0.000 0.842 381 D CB -0.375 40.374 40.800 -0.084 0.000 0.947 381 D HN 0.229 nan 8.370 nan 0.000 0.509 382 D N 0.826 121.214 120.400 -0.020 0.000 2.390 382 D HA -0.044 4.914 4.640 0.530 0.000 0.236 382 D C 0.147 176.465 176.300 0.029 0.000 1.189 382 D CA 0.281 54.285 54.000 0.006 0.000 0.887 382 D CB 0.768 41.575 40.800 0.012 0.000 1.198 382 D HN -0.005 nan 8.370 nan 0.000 0.444 383 R N 2.005 122.526 120.500 0.035 0.000 2.816 383 R HA 0.249 4.907 4.340 0.530 0.000 0.382 383 R C 0.132 176.455 176.300 0.038 0.000 1.140 383 R CA -0.124 56.007 56.100 0.052 0.000 1.050 383 R CB 0.691 31.019 30.300 0.047 0.000 1.396 383 R HN 0.284 nan 8.270 nan 0.000 0.583 384 R N -0.000 120.525 120.500 0.042 0.000 2.518 384 R HA 0.237 4.895 4.340 0.530 0.000 0.419 384 R C -0.222 176.110 176.300 0.054 0.000 0.902 384 R CA -0.208 55.909 56.100 0.029 0.000 1.146 384 R CB 0.703 31.012 30.300 0.016 0.000 1.652 384 R HN 0.060 nan 8.270 nan 0.000 0.555 385 M N 3.144 122.802 119.600 0.096 0.000 3.436 385 M HA 0.269 5.068 4.480 0.530 0.000 0.240 385 M C -0.631 175.803 176.300 0.223 0.000 1.469 385 M CA 0.351 55.759 55.300 0.179 0.000 1.622 385 M CB -0.186 32.552 32.600 0.230 0.000 1.098 385 M HN 0.113 nan 8.290 nan 0.000 0.568 386 L N -0.521 120.775 121.223 0.122 0.000 2.445 386 L HA 0.872 5.530 4.340 0.530 0.000 0.262 386 L C -1.038 175.855 176.870 0.038 0.000 0.974 386 L CA -1.194 53.644 54.840 -0.004 0.000 0.822 386 L CB 1.612 43.586 42.059 -0.142 0.000 1.339 386 L HN 0.304 nan 8.230 nan 0.000 0.409 387 F N -0.728 119.189 119.950 -0.055 0.000 2.556 387 F HA 0.953 5.791 4.527 0.519 0.000 0.327 387 F C -0.199 175.576 175.800 -0.042 0.000 1.059 387 F CA -0.697 57.259 58.000 -0.074 0.000 0.953 387 F CB 1.986 40.888 39.000 -0.165 0.000 1.227 387 F HN 0.681 nan 8.300 nan 0.000 0.478 388 T N 0.053 114.747 114.554 0.234 0.000 2.900 388 T HA 0.670 5.338 4.350 0.530 0.000 0.303 388 T C -0.310 174.772 174.700 0.638 0.000 1.142 388 T CA -0.037 62.246 62.100 0.306 0.000 1.007 388 T CB 1.614 70.616 68.868 0.223 0.000 1.156 388 T HN 1.154 nan 8.240 nan 0.000 0.490 389 A N 2.500 125.704 122.820 0.640 0.000 2.419 389 A HA 0.292 4.930 4.320 0.530 0.000 0.233 389 A C 0.485 178.279 177.584 0.350 0.000 1.217 389 A CA -0.498 51.873 52.037 0.557 0.000 0.944 389 A CB 0.125 19.456 19.000 0.553 0.000 1.025 389 A HN 0.790 nan 8.150 nan 0.000 0.524 390 W N 2.604 124.063 121.300 0.265 0.000 2.430 390 W HA 0.292 5.269 4.660 0.529 0.000 0.380 390 W C -0.840 175.816 176.519 0.227 0.000 1.045 390 W CA -0.303 57.150 57.345 0.179 0.000 1.547 390 W CB 0.183 29.734 29.460 0.151 0.000 1.554 390 W HN 0.263 nan 8.180 nan 0.000 0.378 391 N N 7.453 126.042 118.700 -0.185 0.000 2.706 391 N HA 0.201 5.260 4.740 0.530 0.000 0.240 391 N C -1.836 173.489 175.510 -0.308 0.000 1.039 391 N CA -2.029 50.943 53.050 -0.131 0.000 0.888 391 N CB 1.408 39.667 38.487 -0.380 0.000 1.128 391 N HN 0.050 nan 8.380 nan 0.000 0.512 392 P HA -0.158 nan 4.420 nan 0.000 0.218 392 P C 1.088 178.303 177.300 -0.141 0.000 1.154 392 P CA 1.380 64.372 63.100 -0.181 0.000 0.872 392 P CB 0.438 32.166 31.700 0.046 0.000 0.790 393 S N -1.244 114.400 115.700 -0.094 0.000 2.383 393 S HA -0.063 4.725 4.470 0.530 0.000 0.227 393 S C 1.925 176.448 174.600 -0.128 0.000 1.026 393 S CA 1.307 59.458 58.200 -0.082 0.000 0.981 393 S CB -0.737 62.437 63.200 -0.044 0.000 0.818 393 S HN 0.173 nan 8.310 nan 0.000 0.472 394 A N 0.668 123.373 122.820 -0.191 0.000 2.238 394 A HA 0.329 4.968 4.320 0.530 0.000 0.210 394 A C 1.829 179.273 177.584 -0.233 0.000 1.179 394 A CA 0.047 51.958 52.037 -0.210 0.000 0.827 394 A CB -0.390 18.457 19.000 -0.255 0.000 0.856 394 A HN 0.408 nan 8.150 nan 0.000 0.488 395 L N -0.149 120.910 121.223 -0.273 0.000 2.013 395 L HA -0.176 4.482 4.340 0.530 0.000 0.212 395 L C -0.455 176.301 176.870 -0.191 0.000 1.073 395 L CA 1.839 56.504 54.840 -0.291 0.000 0.753 395 L CB -1.659 40.176 42.059 -0.373 0.000 0.890 395 L HN 0.228 nan 8.230 nan 0.000 0.432 396 P HA -0.144 nan 4.420 nan 0.000 0.219 396 P C 1.103 178.325 177.300 -0.129 0.000 1.146 396 P CA 1.115 64.141 63.100 -0.123 0.000 0.808 396 P CB 0.001 31.640 31.700 -0.102 0.000 0.779 397 R N -1.649 118.775 120.500 -0.128 0.000 2.310 397 R HA 0.245 4.904 4.340 0.530 0.000 0.202 397 R C 0.830 177.090 176.300 -0.066 0.000 0.933 397 R CA 0.156 56.198 56.100 -0.097 0.000 1.054 397 R CB -0.593 29.675 30.300 -0.052 0.000 0.985 397 R HN 0.365 nan 8.270 nan 0.000 0.489 398 M N -0.579 118.956 119.600 -0.108 0.000 2.277 398 M HA 0.281 5.079 4.480 0.530 0.000 0.350 398 M C 1.294 177.615 176.300 0.035 0.000 1.180 398 M CA -0.333 54.921 55.300 -0.077 0.000 1.103 398 M CB 1.743 34.258 32.600 -0.140 0.000 1.577 398 M HN -0.063 nan 8.290 nan 0.000 0.459 399 A N 2.808 125.715 122.820 0.144 0.000 2.024 399 A HA 0.059 4.697 4.320 0.530 0.000 0.220 399 A C 0.446 178.267 177.584 0.395 0.000 1.164 399 A CA 1.525 53.755 52.037 0.322 0.000 0.643 399 A CB 0.022 19.266 19.000 0.407 0.000 0.806 399 A HN 0.638 nan 8.150 nan 0.000 0.451 400 L N -2.912 118.464 121.223 0.255 0.000 2.710 400 L HA 0.511 5.169 4.340 0.530 0.000 0.260 400 L C -3.049 173.869 176.870 0.081 0.000 0.993 400 L CA -1.687 53.295 54.840 0.237 0.000 0.877 400 L CB 1.727 43.998 42.059 0.354 0.000 1.461 400 L HN -0.195 nan 8.230 nan 0.000 0.413 401 P HA 0.420 nan 4.420 nan 0.000 0.282 401 P C -2.682 174.627 177.300 0.015 0.000 1.249 401 P CA -1.164 61.911 63.100 -0.042 0.000 0.806 401 P CB 0.272 31.989 31.700 0.029 0.000 0.984 402 P HA 0.077 nan 4.420 nan 0.000 0.275 402 P C -0.086 177.344 177.300 0.217 0.000 1.228 402 P CA -0.070 62.911 63.100 -0.199 0.000 0.786 402 P CB 0.938 32.385 31.700 -0.421 0.000 0.927 403 C N 0.826 120.293 119.300 0.278 0.000 2.564 403 C HA 0.013 4.791 4.460 0.530 0.000 0.281 403 C C 1.249 176.442 174.990 0.339 0.000 1.314 403 C CA 0.586 59.786 59.018 0.303 0.000 1.706 403 C CB -1.707 26.216 27.740 0.305 0.000 2.109 403 C HN 0.709 nan 8.230 nan 0.000 0.502 404 H N 1.471 120.848 119.070 0.511 0.000 2.969 404 H HA 0.452 5.326 4.556 0.530 0.000 0.269 404 H C 0.362 176.016 175.328 0.544 0.000 1.223 404 H CA -0.467 55.841 56.048 0.433 0.000 1.400 404 H CB -0.159 29.905 29.762 0.503 0.000 1.500 404 H HN 0.360 nan 8.280 nan 0.000 0.486 405 L N 0.941 122.432 121.223 0.446 0.000 2.640 405 L HA 0.423 5.081 4.340 0.530 0.000 0.230 405 L C -0.422 176.630 176.870 0.303 0.000 1.123 405 L CA -0.130 54.977 54.840 0.446 0.000 0.900 405 L CB 0.202 42.545 42.059 0.473 0.000 1.146 405 L HN 0.479 nan 8.230 nan 0.000 0.484 406 L N 0.259 121.559 121.223 0.128 0.000 2.612 406 L HA 0.901 5.559 4.340 0.530 0.000 0.256 406 L C -1.742 174.873 176.870 -0.424 0.000 0.949 406 L CA -0.257 54.484 54.840 -0.164 0.000 0.867 406 L CB 2.052 44.056 42.059 -0.091 0.000 1.417 406 L HN 0.079 nan 8.230 nan 0.000 0.414 407 A N 3.370 125.708 122.820 -0.802 0.000 2.540 407 A HA 0.713 5.351 4.320 0.530 0.000 0.297 407 A C -1.745 175.363 177.584 -0.792 0.000 1.056 407 A CA -0.435 51.087 52.037 -0.857 0.000 0.700 407 A CB 1.739 20.125 19.000 -1.024 0.000 1.280 407 A HN 0.728 nan 8.150 nan 0.000 0.398 408 Q N 1.138 120.573 119.800 -0.608 0.000 2.377 408 Q HA 0.795 5.453 4.340 0.530 0.000 0.271 408 Q C -1.764 173.925 176.000 -0.519 0.000 1.077 408 Q CA -0.569 54.983 55.803 -0.418 0.000 0.820 408 Q CB 1.504 30.119 28.738 -0.205 0.000 1.347 408 Q HN 0.631 nan 8.270 nan 0.000 0.444 409 F N 1.446 121.427 119.950 0.052 0.000 2.523 409 F HA 0.562 5.344 4.527 0.426 0.000 0.329 409 F C -0.802 175.096 175.800 0.163 0.000 1.061 409 F CA -0.697 57.362 58.000 0.098 0.000 0.967 409 F CB 1.490 40.543 39.000 0.088 0.000 1.218 409 F HN 0.511 nan 8.300 nan 0.000 0.480 410 Y N 0.679 121.100 120.300 0.201 0.000 2.513 410 Y HA 0.703 5.316 4.550 0.105 0.000 0.340 410 Y C -1.987 173.972 175.900 0.098 0.000 1.055 410 Y CA -1.012 57.152 58.100 0.107 0.000 1.020 410 Y CB 1.676 40.169 38.460 0.055 0.000 1.301 410 Y HN 0.355 nan 8.280 nan 0.000 0.453 411 V N 4.746 124.434 119.914 -0.376 0.000 2.588 411 V HA 0.733 5.171 4.120 0.530 0.000 0.304 411 V C -1.107 174.727 176.094 -0.432 0.000 1.042 411 V CA -0.348 61.797 62.300 -0.259 0.000 0.877 411 V CB 1.713 33.448 31.823 -0.146 0.000 0.996 411 V HN 0.799 nan 8.190 nan 0.000 0.425 412 S N 3.499 119.097 115.700 -0.169 0.000 2.626 412 S HA 0.459 5.247 4.470 0.530 0.000 0.275 412 S C -0.322 174.272 174.600 -0.011 0.000 1.175 412 S CA -0.712 57.430 58.200 -0.097 0.000 0.982 412 S CB 1.267 64.481 63.200 0.023 0.000 1.093 412 S HN 0.818 nan 8.310 nan 0.000 0.472 413 N N 2.002 120.690 118.700 -0.019 0.000 2.738 413 N HA -0.191 4.867 4.740 0.530 0.000 0.249 413 N C 1.041 176.552 175.510 0.003 0.000 1.047 413 N CA 1.286 54.336 53.050 -0.001 0.000 0.707 413 N CB -1.542 36.955 38.487 0.017 0.000 0.937 413 N HN 2.045 nan 8.380 nan 0.000 0.545 414 G N -0.602 108.192 108.800 -0.010 0.000 2.196 414 G HA2 -0.340 3.938 3.960 0.530 0.000 0.268 414 G HA3 -0.340 3.938 3.960 0.530 0.000 0.268 414 G C -0.136 174.769 174.900 0.010 0.000 0.975 414 G CA 1.087 46.184 45.100 -0.005 0.000 0.648 414 G HN 0.642 nan 8.290 nan 0.000 0.538 415 E N -0.482 119.733 120.200 0.025 0.000 2.166 415 E HA 0.589 5.258 4.350 0.530 0.000 0.275 415 E C -0.419 176.225 176.600 0.074 0.000 0.941 415 E CA -1.045 55.386 56.400 0.051 0.000 0.784 415 E CB 2.157 31.896 29.700 0.066 0.000 1.115 415 E HN 0.171 nan 8.360 nan 0.000 0.399 416 L N 2.078 123.352 121.223 0.085 0.000 2.292 416 L HA 0.358 5.016 4.340 0.530 0.000 0.284 416 L C -0.656 176.329 176.870 0.192 0.000 1.065 416 L CA 0.266 55.185 54.840 0.131 0.000 0.806 416 L CB 1.384 43.502 42.059 0.098 0.000 1.175 416 L HN 0.346 nan 8.230 nan 0.000 0.431 417 S N 3.666 119.521 115.700 0.258 0.000 2.568 417 S HA 0.684 5.473 4.470 0.530 0.000 0.302 417 S C -1.336 173.406 174.600 0.238 0.000 1.082 417 S CA -0.547 57.790 58.200 0.228 0.000 1.009 417 S CB 1.418 64.745 63.200 0.211 0.000 1.069 417 S HN 0.851 nan 8.310 nan 0.000 0.500 418 C N 3.884 123.257 119.300 0.122 0.000 2.547 418 C HA 0.809 5.587 4.460 0.530 0.000 0.313 418 C C -0.747 174.168 174.990 -0.125 0.000 1.191 418 C CA -0.689 58.295 59.018 -0.056 0.000 1.474 418 C CB 0.748 28.489 27.740 0.001 0.000 2.081 418 C HN 0.948 nan 8.230 nan 0.000 0.476 419 M N 6.325 125.777 119.600 -0.246 0.000 2.125 419 M HA 0.673 5.471 4.480 0.530 0.000 0.321 419 M C -1.362 174.756 176.300 -0.304 0.000 0.983 419 M CA -0.362 54.816 55.300 -0.202 0.000 0.934 419 M CB 1.260 33.765 32.600 -0.160 0.000 1.542 419 M HN 0.699 nan 8.290 nan 0.000 0.424 420 L N 5.750 126.796 121.223 -0.295 0.000 2.322 420 L HA 0.572 5.230 4.340 0.530 0.000 0.279 420 L C -2.091 174.685 176.870 -0.156 0.000 1.036 420 L CA -0.197 54.382 54.840 -0.436 0.000 0.807 420 L CB 1.294 42.914 42.059 -0.732 0.000 1.226 420 L HN 0.755 nan 8.230 nan 0.000 0.433 421 Y N 3.933 124.100 120.300 -0.222 0.000 2.338 421 Y HA 0.465 5.329 4.550 0.522 0.000 0.328 421 Y C -0.646 175.256 175.900 0.004 0.000 0.965 421 Y CA -0.323 57.721 58.100 -0.094 0.000 1.208 421 Y CB 1.069 39.453 38.460 -0.126 0.000 1.132 421 Y HN 0.724 nan 8.280 nan 0.000 0.469 422 Q N 6.694 126.223 119.800 -0.453 0.000 2.368 422 Q HA 0.274 4.932 4.340 0.530 0.000 0.263 422 Q C 0.944 176.735 176.000 -0.349 0.000 1.009 422 Q CA -0.645 55.062 55.803 -0.161 0.000 0.818 422 Q CB 0.965 29.756 28.738 0.090 0.000 1.239 422 Q HN 0.973 nan 8.270 nan 0.000 0.464 423 R N 1.425 121.861 120.500 -0.107 0.000 2.080 423 R HA -0.027 4.631 4.340 0.530 0.000 0.236 423 R C 0.517 176.843 176.300 0.043 0.000 1.137 423 R CA 1.134 57.234 56.100 -0.001 0.000 0.943 423 R CB -0.080 30.283 30.300 0.105 0.000 0.846 423 R HN 0.321 nan 8.270 nan 0.000 0.431 424 S N -0.200 115.561 115.700 0.102 0.000 2.521 424 S HA 0.548 5.336 4.470 0.530 0.000 0.295 424 S C -1.126 173.529 174.600 0.092 0.000 1.098 424 S CA -0.800 57.488 58.200 0.148 0.000 0.999 424 S CB 1.546 64.894 63.200 0.246 0.000 1.034 424 S HN 0.455 nan 8.310 nan 0.000 0.483 425 C N 2.980 122.235 119.300 -0.076 0.000 2.551 425 C HA 0.671 5.450 4.460 0.530 0.000 0.332 425 C C -0.742 173.931 174.990 -0.527 0.000 1.139 425 C CA -1.199 57.725 59.018 -0.157 0.000 1.328 425 C CB 0.377 28.076 27.740 -0.068 0.000 1.903 425 C HN 0.865 nan 8.230 nan 0.000 0.459 426 D N 3.349 123.582 120.400 -0.279 0.000 2.295 426 D HA 0.303 5.262 4.640 0.530 0.000 0.248 426 D C 1.051 177.327 176.300 -0.040 0.000 1.154 426 D CA -0.485 53.374 54.000 -0.235 0.000 0.857 426 D CB 0.813 41.699 40.800 0.143 0.000 1.117 426 D HN 0.458 nan 8.370 nan 0.000 0.468 427 M N 2.979 122.548 119.600 -0.053 0.000 2.319 427 M HA 0.078 4.876 4.480 0.530 0.000 0.265 427 M C 1.927 178.347 176.300 0.201 0.000 1.068 427 M CA 0.731 56.078 55.300 0.079 0.000 1.118 427 M CB -1.021 31.546 32.600 -0.056 0.000 1.395 427 M HN 0.567 nan 8.290 nan 0.000 0.435 428 G N 0.487 109.384 108.800 0.162 0.000 2.404 428 G HA2 -0.073 4.206 3.960 0.530 0.000 0.215 428 G HA3 -0.073 4.206 3.960 0.530 0.000 0.215 428 G C 1.430 176.375 174.900 0.076 0.000 1.174 428 G CA 0.555 45.691 45.100 0.060 0.000 0.780 428 G HN 0.328 nan 8.290 nan 0.000 0.537 429 L N -0.346 120.945 121.223 0.114 0.000 2.694 429 L HA 0.293 4.952 4.340 0.530 0.000 0.228 429 L C 2.760 179.715 176.870 0.142 0.000 1.048 429 L CA 1.157 56.062 54.840 0.109 0.000 0.887 429 L CB -1.319 40.778 42.059 0.064 0.000 1.265 429 L HN 0.266 nan 8.230 nan 0.000 0.492 430 G N 0.707 109.592 108.800 0.142 0.000 2.464 430 G HA2 -0.117 4.161 3.960 0.530 0.000 0.214 430 G HA3 -0.117 4.161 3.960 0.530 0.000 0.214 430 G C 1.653 176.701 174.900 0.245 0.000 1.218 430 G CA 1.178 46.373 45.100 0.158 0.000 0.794 430 G HN 0.079 nan 8.290 nan 0.000 0.542 431 V N 2.330 122.383 119.914 0.232 0.000 2.278 431 V HA -0.164 4.275 4.120 0.530 0.000 0.251 431 V C 0.370 176.583 176.094 0.199 0.000 1.062 431 V CA 2.534 65.006 62.300 0.287 0.000 1.038 431 V CB -1.166 30.844 31.823 0.312 0.000 0.646 431 V HN 0.317 nan 8.190 nan 0.000 0.447 432 P HA -0.154 nan 4.420 nan 0.000 0.216 432 P C 1.715 179.022 177.300 0.011 0.000 1.153 432 P CA 1.362 64.427 63.100 -0.059 0.000 0.848 432 P CB -0.117 31.533 31.700 -0.083 0.000 0.787 433 F N 0.647 120.590 119.950 -0.011 0.000 2.102 433 F HA -0.194 4.651 4.527 0.530 0.000 0.298 433 F C 1.793 177.575 175.800 -0.031 0.000 1.105 433 F CA 1.764 59.760 58.000 -0.007 0.000 1.239 433 F CB -0.773 38.247 39.000 0.033 0.000 0.991 433 F HN -0.137 nan 8.300 nan 0.000 0.474 434 N N 0.309 119.163 118.700 0.257 0.000 2.188 434 N HA -0.136 4.922 4.740 0.530 0.000 0.184 434 N C 1.943 177.422 175.510 -0.050 0.000 1.018 434 N CA 1.305 54.440 53.050 0.141 0.000 0.858 434 N CB -0.128 38.491 38.487 0.220 0.000 0.989 434 N HN 0.289 nan 8.380 nan 0.000 0.426 435 I N 1.059 121.538 120.570 -0.151 0.000 2.286 435 I HA -0.273 4.216 4.170 0.530 0.000 0.248 435 I C 2.434 178.373 176.117 -0.296 0.000 1.115 435 I CA 0.711 61.808 61.300 -0.338 0.000 1.392 435 I CB -0.338 37.348 38.000 -0.523 0.000 1.065 435 I HN 0.188 nan 8.210 nan 0.000 0.418 436 A N -0.077 122.584 122.820 -0.264 0.000 1.845 436 A HA -0.229 4.410 4.320 0.530 0.000 0.215 436 A C 2.489 179.970 177.584 -0.171 0.000 1.195 436 A CA 2.171 54.082 52.037 -0.211 0.000 0.616 436 A CB -1.004 17.855 19.000 -0.235 0.000 0.832 436 A HN 0.325 nan 8.150 nan 0.000 0.443 437 S N -1.589 113.942 115.700 -0.282 0.000 2.381 437 S HA -0.228 4.560 4.470 0.530 0.000 0.230 437 S C 1.802 176.247 174.600 -0.258 0.000 1.052 437 S CA 2.082 60.102 58.200 -0.300 0.000 1.068 437 S CB -0.522 62.498 63.200 -0.301 0.000 0.918 437 S HN 0.638 nan 8.310 nan 0.000 0.448 438 Y N 0.624 120.860 120.300 -0.106 0.000 2.519 438 Y HA 0.250 5.116 4.550 0.528 0.000 0.287 438 Y C 2.237 178.125 175.900 -0.019 0.000 1.128 438 Y CA 0.380 58.453 58.100 -0.045 0.000 1.282 438 Y CB -0.327 38.067 38.460 -0.110 0.000 1.027 438 Y HN 0.297 nan 8.280 nan 0.000 0.551 439 A N -0.513 122.331 122.820 0.039 0.000 1.930 439 A HA -0.095 4.543 4.320 0.530 0.000 0.215 439 A C 2.018 179.639 177.584 0.062 0.000 1.176 439 A CA 1.117 53.164 52.037 0.017 0.000 0.632 439 A CB -0.688 18.254 19.000 -0.096 0.000 0.819 439 A HN 0.382 nan 8.150 nan 0.000 0.445 440 L N -0.773 120.492 121.223 0.070 0.000 2.109 440 L HA 0.016 4.675 4.340 0.530 0.000 0.207 440 L C 2.117 179.043 176.870 0.094 0.000 1.086 440 L CA 1.690 56.604 54.840 0.123 0.000 0.760 440 L CB -0.651 41.484 42.059 0.127 0.000 0.910 440 L HN 0.326 nan 8.230 nan 0.000 0.437 441 L N -1.048 120.215 121.223 0.067 0.000 2.056 441 L HA -0.126 4.532 4.340 0.530 0.000 0.207 441 L C 2.259 179.232 176.870 0.171 0.000 1.078 441 L CA 2.223 57.126 54.840 0.104 0.000 0.749 441 L CB -0.904 41.211 42.059 0.093 0.000 0.901 441 L HN 0.271 nan 8.230 nan 0.000 0.433 442 T N -0.026 114.663 114.554 0.226 0.000 2.746 442 T HA -0.132 4.536 4.350 0.530 0.000 0.267 442 T C 1.948 176.731 174.700 0.139 0.000 1.039 442 T CA 1.949 64.205 62.100 0.260 0.000 1.142 442 T CB -0.309 68.715 68.868 0.259 0.000 0.866 442 T HN 0.302 nan 8.240 nan 0.000 0.444 443 I N 0.756 121.396 120.570 0.117 0.000 2.179 443 I HA -0.161 4.328 4.170 0.530 0.000 0.242 443 I C 2.324 178.462 176.117 0.036 0.000 1.088 443 I CA 1.260 62.619 61.300 0.097 0.000 1.357 443 I CB -0.464 37.625 38.000 0.148 0.000 1.051 443 I HN 0.201 nan 8.210 nan 0.000 0.409 444 L N 0.262 121.498 121.223 0.022 0.000 1.989 444 L HA -0.242 4.416 4.340 0.530 0.000 0.211 444 L C 2.594 179.388 176.870 -0.126 0.000 1.071 444 L CA 1.208 55.981 54.840 -0.111 0.000 0.749 444 L CB -0.599 41.395 42.059 -0.110 0.000 0.890 444 L HN 0.236 nan 8.230 nan 0.000 0.431 445 I N 0.327 120.847 120.570 -0.083 0.000 2.315 445 I HA -0.295 4.193 4.170 0.530 0.000 0.251 445 I C 2.733 178.763 176.117 -0.146 0.000 1.125 445 I CA 1.660 62.869 61.300 -0.152 0.000 1.392 445 I CB -1.495 36.352 38.000 -0.256 0.000 1.065 445 I HN 0.230 nan 8.210 nan 0.000 0.424 446 A N 0.872 123.640 122.820 -0.087 0.000 1.854 446 A HA -0.171 4.467 4.320 0.530 0.000 0.214 446 A C 2.336 179.868 177.584 -0.086 0.000 1.192 446 A CA 1.160 53.157 52.037 -0.066 0.000 0.611 446 A CB -0.453 18.539 19.000 -0.013 0.000 0.832 446 A HN 0.311 nan 8.150 nan 0.000 0.442 447 K N -0.023 120.309 120.400 -0.114 0.000 2.113 447 K HA -0.128 4.510 4.320 0.530 0.000 0.208 447 K C 1.910 178.433 176.600 -0.128 0.000 1.047 447 K CA 1.275 57.470 56.287 -0.154 0.000 0.928 447 K CB -0.316 32.010 32.500 -0.291 0.000 0.716 447 K HN 0.440 nan 8.250 nan 0.000 0.446 448 A N 0.854 123.598 122.820 -0.127 0.000 2.208 448 A HA -0.035 4.604 4.320 0.530 0.000 0.209 448 A C 1.586 179.121 177.584 -0.081 0.000 1.161 448 A CA 1.225 53.208 52.037 -0.091 0.000 0.782 448 A CB -0.238 18.711 19.000 -0.086 0.000 0.816 448 A HN 0.399 nan 8.150 nan 0.000 0.477 449 T N -5.550 108.951 114.554 -0.088 0.000 3.111 449 T HA 0.439 5.107 4.350 0.530 0.000 0.284 449 T C 1.084 175.747 174.700 -0.062 0.000 0.983 449 T CA 0.779 62.832 62.100 -0.079 0.000 0.900 449 T CB 0.177 68.984 68.868 -0.103 0.000 1.132 449 T HN 1.521 nan 8.240 nan 0.000 0.531 450 G N 1.573 110.338 108.800 -0.058 0.000 2.198 450 G HA2 -0.202 4.077 3.960 0.530 0.000 0.257 450 G HA3 -0.202 4.077 3.960 0.530 0.000 0.257 450 G C -0.168 174.710 174.900 -0.037 0.000 1.042 450 G CA 0.430 45.503 45.100 -0.045 0.000 0.791 450 G HN 0.628 nan 8.290 nan 0.000 0.502 451 L N -1.577 119.623 121.223 -0.038 0.000 2.260 451 L HA 0.779 5.438 4.340 0.530 0.000 0.265 451 L C 0.818 177.683 176.870 -0.009 0.000 1.015 451 L CA -1.394 53.432 54.840 -0.022 0.000 0.826 451 L CB 1.439 43.484 42.059 -0.022 0.000 1.373 451 L HN 0.061 nan 8.230 nan 0.000 0.450 452 R N 0.496 121.002 120.500 0.010 0.000 2.494 452 R HA 0.402 5.060 4.340 0.530 0.000 0.305 452 R C -2.549 173.777 176.300 0.044 0.000 0.959 452 R CA -1.911 54.204 56.100 0.025 0.000 0.864 452 R CB 1.618 31.936 30.300 0.029 0.000 1.159 452 R HN 0.225 nan 8.270 nan 0.000 0.446 453 P HA -0.093 nan 4.420 nan 0.000 0.263 453 P C -0.099 177.249 177.300 0.080 0.000 1.175 453 P CA 0.473 63.618 63.100 0.075 0.000 0.761 453 P CB 0.832 32.579 31.700 0.078 0.000 0.794 454 G N 2.719 111.578 108.800 0.098 0.000 2.560 454 G HA2 0.226 4.504 3.960 0.530 0.000 0.212 454 G HA3 0.226 4.504 3.960 0.530 0.000 0.212 454 G C -0.531 174.428 174.900 0.098 0.000 2.038 454 G CA -0.111 45.047 45.100 0.097 0.000 0.728 454 G HN 0.506 nan 8.290 nan 0.000 0.784 455 E N -0.725 119.540 120.200 0.110 0.000 2.392 455 E HA 0.580 5.248 4.350 0.530 0.000 0.269 455 E C -1.599 175.072 176.600 0.117 0.000 0.924 455 E CA -0.745 55.719 56.400 0.107 0.000 0.784 455 E CB 2.950 32.695 29.700 0.076 0.000 1.292 455 E HN 0.164 nan 8.360 nan 0.000 0.447 456 L N 2.208 123.519 121.223 0.147 0.000 2.349 456 L HA 0.474 5.132 4.340 0.530 0.000 0.278 456 L C -1.482 175.492 176.870 0.173 0.000 0.996 456 L CA -0.835 54.087 54.840 0.136 0.000 0.825 456 L CB 1.468 43.605 42.059 0.131 0.000 1.243 456 L HN 0.362 nan 8.230 nan 0.000 0.412 457 V N 4.509 124.469 119.914 0.077 0.000 2.398 457 V HA 0.338 4.776 4.120 0.530 0.000 0.286 457 V C -0.325 175.831 176.094 0.103 0.000 1.026 457 V CA -0.556 61.792 62.300 0.080 0.000 0.868 457 V CB 1.478 33.297 31.823 -0.008 0.000 0.982 457 V HN 0.700 nan 8.190 nan 0.000 0.443 458 H N 2.746 121.850 119.070 0.057 0.000 2.541 458 H HA 0.447 5.321 4.556 0.529 0.000 0.316 458 H C -0.618 174.683 175.328 -0.045 0.000 1.043 458 H CA -0.488 55.567 56.048 0.012 0.000 1.232 458 H CB 1.070 30.912 29.762 0.134 0.000 1.406 458 H HN 0.671 nan 8.280 nan 0.000 0.469 459 T N 7.026 121.618 114.554 0.064 0.000 2.756 459 T HA 0.271 4.939 4.350 0.530 0.000 0.290 459 T C 0.015 174.508 174.700 -0.345 0.000 0.985 459 T CA -0.679 61.342 62.100 -0.133 0.000 0.955 459 T CB 0.386 69.229 68.868 -0.042 0.000 0.930 459 T HN 0.402 nan 8.240 nan 0.000 0.451 460 L N 2.384 123.364 121.223 -0.405 0.000 2.322 460 L HA 0.606 5.265 4.340 0.530 0.000 0.279 460 L C 1.356 177.952 176.870 -0.458 0.000 1.036 460 L CA -0.791 53.787 54.840 -0.438 0.000 0.807 460 L CB 1.216 43.048 42.059 -0.378 0.000 1.226 460 L HN 0.767 nan 8.230 nan 0.000 0.433 461 G N 0.687 109.235 108.800 -0.420 0.000 2.682 461 G HA2 -0.078 4.200 3.960 0.530 0.000 0.221 461 G HA3 -0.078 4.200 3.960 0.530 0.000 0.221 461 G C -0.105 174.730 174.900 -0.109 0.000 1.386 461 G CA 0.136 45.029 45.100 -0.345 0.000 0.909 461 G HN 0.599 nan 8.290 nan 0.000 0.558 462 D N 1.586 122.066 120.400 0.133 0.000 2.456 462 D HA 0.530 5.488 4.640 0.530 0.000 0.219 462 D C -0.178 176.181 176.300 0.098 0.000 1.126 462 D CA -0.370 53.774 54.000 0.241 0.000 0.890 462 D CB 0.696 41.669 40.800 0.288 0.000 1.025 462 D HN 0.255 nan 8.370 nan 0.000 0.511 463 A N 5.192 128.013 122.820 0.003 0.000 2.276 463 A HA 0.504 5.142 4.320 0.530 0.000 0.300 463 A C -0.331 177.206 177.584 -0.079 0.000 1.235 463 A CA -0.526 51.430 52.037 -0.134 0.000 0.867 463 A CB 0.328 19.245 19.000 -0.140 0.000 1.137 463 A HN 0.708 nan 8.150 nan 0.000 0.527 464 H N 0.283 119.294 119.070 -0.100 0.000 2.894 464 H HA 0.599 5.474 4.556 0.531 0.000 0.367 464 H C -1.900 173.323 175.328 -0.175 0.000 1.144 464 H CA -0.941 55.016 56.048 -0.152 0.000 1.180 464 H CB 1.010 30.637 29.762 -0.226 0.000 1.758 464 H HN 0.248 nan 8.280 nan 0.000 0.541 465 V N 3.843 123.752 119.914 -0.008 0.000 2.370 465 V HA 0.117 4.555 4.120 0.530 0.000 0.279 465 V C -0.136 175.964 176.094 0.010 0.000 1.029 465 V CA -0.586 61.744 62.300 0.049 0.000 0.870 465 V CB 0.329 32.187 31.823 0.057 0.000 0.984 465 V HN 0.654 nan 8.190 nan 0.000 0.451 466 Y N 2.533 122.866 120.300 0.056 0.000 2.607 466 Y HA -0.091 4.778 4.550 0.531 0.000 0.348 466 Y C 2.061 177.806 175.900 -0.259 0.000 1.261 466 Y CA 0.821 58.758 58.100 -0.272 0.000 1.480 466 Y CB 0.690 38.687 38.460 -0.773 0.000 1.358 466 Y HN 0.688 nan 8.280 nan 0.000 0.630 467 S N 0.777 116.470 115.700 -0.012 0.000 2.370 467 S HA -0.232 4.556 4.470 0.530 0.000 0.226 467 S C 0.897 175.489 174.600 -0.014 0.000 1.033 467 S CA 1.750 59.932 58.200 -0.030 0.000 1.011 467 S CB -0.463 62.698 63.200 -0.065 0.000 0.852 467 S HN 0.751 nan 8.310 nan 0.000 0.457 468 N N 0.308 118.971 118.700 -0.062 0.000 2.597 468 N HA 0.120 5.178 4.740 0.530 0.000 0.269 468 N C 0.160 175.767 175.510 0.161 0.000 1.204 468 N CA 0.073 53.135 53.050 0.020 0.000 0.947 468 N CB -0.502 37.989 38.487 0.006 0.000 1.258 468 N HN 0.523 nan 8.380 nan 0.000 0.508 469 H N -1.813 117.309 119.070 0.087 0.000 3.205 469 H HA 0.179 5.053 4.556 0.530 0.000 0.252 469 H C 1.322 176.685 175.328 0.060 0.000 1.015 469 H CA -0.157 55.943 56.048 0.086 0.000 1.192 469 H CB 0.895 30.733 29.762 0.127 0.000 1.474 469 H HN 0.037 nan 8.280 nan 0.000 0.484 470 V N 1.585 121.600 119.914 0.169 0.000 2.250 470 V HA -0.332 4.107 4.120 0.530 0.000 0.253 470 V C 2.043 178.183 176.094 0.076 0.000 1.065 470 V CA 2.226 64.584 62.300 0.097 0.000 1.039 470 V CB -0.445 31.416 31.823 0.064 0.000 0.647 470 V HN 0.467 nan 8.190 nan 0.000 0.446 471 E N -0.285 119.959 120.200 0.073 0.000 2.051 471 E HA -0.170 4.498 4.350 0.530 0.000 0.192 471 E C 0.072 176.703 176.600 0.051 0.000 0.991 471 E CA 1.735 58.167 56.400 0.053 0.000 0.799 471 E CB -1.030 28.698 29.700 0.048 0.000 0.748 471 E HN 0.549 nan 8.360 nan 0.000 0.449 472 P HA -0.133 nan 4.420 nan 0.000 0.214 472 P C 1.137 178.462 177.300 0.041 0.000 1.162 472 P CA 1.073 64.202 63.100 0.049 0.000 0.879 472 P CB 0.010 31.741 31.700 0.051 0.000 0.786 473 C N -0.991 118.342 119.300 0.055 0.000 2.409 473 C HA -0.074 4.704 4.460 0.530 0.000 0.288 473 C C 2.457 177.461 174.990 0.025 0.000 1.395 473 C CA 0.829 59.874 59.018 0.044 0.000 1.792 473 C CB -2.021 25.753 27.740 0.057 0.000 1.847 473 C HN 0.302 nan 8.230 nan 0.000 0.534 474 N N 0.295 119.010 118.700 0.025 0.000 2.290 474 N HA -0.058 5.000 4.740 0.530 0.000 0.179 474 N C 1.841 177.353 175.510 0.004 0.000 1.016 474 N CA 0.827 53.884 53.050 0.012 0.000 0.871 474 N CB -0.282 38.215 38.487 0.017 0.000 0.987 474 N HN 0.557 nan 8.380 nan 0.000 0.431 475 E N 1.241 121.446 120.200 0.009 0.000 2.051 475 E HA -0.204 4.464 4.350 0.530 0.000 0.192 475 E C 1.849 178.438 176.600 -0.019 0.000 0.991 475 E CA 0.832 57.233 56.400 0.000 0.000 0.799 475 E CB -0.166 29.541 29.700 0.010 0.000 0.748 475 E HN 0.474 nan 8.360 nan 0.000 0.449 476 Q N 0.614 120.408 119.800 -0.010 0.000 2.050 476 Q HA -0.111 4.548 4.340 0.530 0.000 0.202 476 Q C 2.395 178.371 176.000 -0.039 0.000 0.980 476 Q CA 0.926 56.714 55.803 -0.025 0.000 0.840 476 Q CB -0.138 28.616 28.738 0.027 0.000 0.898 476 Q HN 0.223 nan 8.270 nan 0.000 0.424 477 L N 0.535 121.748 121.223 -0.016 0.000 2.351 477 L HA -0.235 4.423 4.340 0.530 0.000 0.220 477 L C 2.197 179.044 176.870 -0.039 0.000 1.127 477 L CA 1.194 56.021 54.840 -0.022 0.000 0.786 477 L CB -0.244 41.803 42.059 -0.021 0.000 0.914 477 L HN 0.230 nan 8.230 nan 0.000 0.443 478 K N -0.214 120.156 120.400 -0.050 0.000 2.103 478 K HA -0.025 4.613 4.320 0.530 0.000 0.204 478 K C 0.695 177.239 176.600 -0.094 0.000 1.052 478 K CA 0.376 56.631 56.287 -0.053 0.000 0.945 478 K CB 0.022 32.499 32.500 -0.038 0.000 0.722 478 K HN 0.263 nan 8.250 nan 0.000 0.443 479 R N 1.543 121.929 120.500 -0.190 0.000 2.570 479 R HA 0.052 4.711 4.340 0.530 0.000 0.277 479 R C -0.409 175.743 176.300 -0.248 0.000 1.039 479 R CA -0.244 55.625 56.100 -0.385 0.000 1.065 479 R CB 0.527 30.320 30.300 -0.844 0.000 0.964 479 R HN -0.105 nan 8.270 nan 0.000 0.428 480 V N 5.644 125.480 119.914 -0.130 0.000 2.461 480 V HA 0.159 4.597 4.120 0.530 0.000 0.275 480 V C -1.917 174.216 176.094 0.064 0.000 1.047 480 V CA -2.030 60.274 62.300 0.006 0.000 0.955 480 V CB 1.112 32.983 31.823 0.081 0.000 0.988 480 V HN 0.654 nan 8.190 nan 0.000 0.471 481 P HA 0.231 nan 4.420 nan 0.000 0.268 481 P C -0.056 177.277 177.300 0.055 0.000 1.204 481 P CA 0.078 63.210 63.100 0.052 0.000 0.768 481 P CB 0.668 32.356 31.700 -0.019 0.000 0.842 482 R N 1.764 122.325 120.500 0.102 0.000 2.523 482 R HA 0.708 5.366 4.340 0.530 0.000 0.229 482 R C 0.017 176.256 176.300 -0.101 0.000 1.265 482 R CA -0.938 55.182 56.100 0.034 0.000 1.081 482 R CB 0.353 30.695 30.300 0.069 0.000 1.540 482 R HN 0.423 nan 8.270 nan 0.000 0.560 483 A N 1.098 123.883 122.820 -0.058 0.000 2.309 483 A HA 0.362 5.000 4.320 0.530 0.000 0.290 483 A C -0.651 176.950 177.584 0.027 0.000 1.206 483 A CA -0.402 51.583 52.037 -0.086 0.000 0.850 483 A CB -0.099 18.897 19.000 -0.006 0.000 1.118 483 A HN 0.362 nan 8.150 nan 0.000 0.523 484 F N 3.697 123.638 119.950 -0.014 0.000 2.626 484 F HA 0.169 5.014 4.527 0.531 0.000 0.354 484 F C -1.039 174.664 175.800 -0.161 0.000 1.168 484 F CA -1.154 56.811 58.000 -0.059 0.000 1.368 484 F CB -0.126 38.799 39.000 -0.125 0.000 1.092 484 F HN 0.450 nan 8.300 nan 0.000 0.612 485 P HA 0.202 nan 4.420 nan 0.000 0.307 485 P C -1.534 175.608 177.300 -0.263 0.000 1.306 485 P CA -0.014 63.115 63.100 0.049 0.000 0.742 485 P CB 0.855 32.597 31.700 0.071 0.000 1.349 486 Y N -2.181 118.076 120.300 -0.071 0.000 2.545 486 Y HA 0.520 5.389 4.550 0.531 0.000 0.348 486 Y C -0.125 175.655 175.900 -0.199 0.000 1.002 486 Y CA -1.027 57.016 58.100 -0.096 0.000 1.039 486 Y CB 1.462 39.910 38.460 -0.020 0.000 1.271 486 Y HN 0.067 nan 8.280 nan 0.000 0.467 487 L N 4.011 125.199 121.223 -0.059 0.000 2.305 487 L HA 0.812 5.470 4.340 0.530 0.000 0.284 487 L C -0.691 176.115 176.870 -0.106 0.000 1.013 487 L CA -0.660 54.053 54.840 -0.212 0.000 0.819 487 L CB 0.886 42.752 42.059 -0.322 0.000 1.227 487 L HN 0.519 nan 8.230 nan 0.000 0.417 488 V N 1.288 121.115 119.914 -0.146 0.000 3.103 488 V HA 0.638 5.077 4.120 0.530 0.000 0.318 488 V C -0.832 175.163 176.094 -0.164 0.000 1.114 488 V CA -0.774 61.505 62.300 -0.035 0.000 1.020 488 V CB 1.893 33.724 31.823 0.014 0.000 1.085 488 V HN 0.559 nan 8.190 nan 0.000 0.446 489 F N 1.805 121.786 119.950 0.052 0.000 2.445 489 F HA 0.615 5.459 4.527 0.527 0.000 0.348 489 F C 1.454 177.294 175.800 0.067 0.000 1.125 489 F CA -0.851 57.197 58.000 0.079 0.000 0.983 489 F CB 2.027 41.088 39.000 0.102 0.000 1.198 489 F HN 0.507 nan 8.300 nan 0.000 0.436 490 R N 2.404 123.012 120.500 0.181 0.000 2.080 490 R HA -0.082 4.576 4.340 0.530 0.000 0.236 490 R C 0.485 176.870 176.300 0.141 0.000 1.137 490 R CA 1.244 57.417 56.100 0.122 0.000 0.943 490 R CB -0.479 29.872 30.300 0.085 0.000 0.846 490 R HN 0.650 nan 8.270 nan 0.000 0.431 491 R N -0.249 120.364 120.500 0.188 0.000 2.846 491 R HA 0.435 5.094 4.340 0.530 0.000 0.263 491 R C -0.636 175.772 176.300 0.179 0.000 1.080 491 R CA -0.925 55.256 56.100 0.135 0.000 0.961 491 R CB 1.359 31.697 30.300 0.063 0.000 1.231 491 R HN -0.241 nan 8.270 nan 0.000 0.465 492 E N 0.224 120.453 120.200 0.049 0.000 2.518 492 E HA 0.571 5.239 4.350 0.530 0.000 0.241 492 E C -0.784 175.623 176.600 -0.321 0.000 0.899 492 E CA -1.113 55.268 56.400 -0.032 0.000 0.888 492 E CB 1.191 30.890 29.700 -0.003 0.000 1.426 492 E HN 0.392 nan 8.360 nan 0.000 0.401 493 R N -0.166 120.021 120.500 -0.521 0.000 2.781 493 R HA 0.194 4.852 4.340 0.530 0.000 0.269 493 R C 0.500 176.625 176.300 -0.292 0.000 1.025 493 R CA -0.459 55.323 56.100 -0.531 0.000 0.914 493 R CB 1.112 30.811 30.300 -1.002 0.000 1.236 493 R HN 0.562 nan 8.270 nan 0.000 0.465 494 E N 0.176 120.219 120.200 -0.262 0.000 2.190 494 E HA 0.115 4.783 4.350 0.530 0.000 0.191 494 E C -0.577 175.682 176.600 -0.567 0.000 0.978 494 E CA 0.733 56.887 56.400 -0.411 0.000 0.839 494 E CB 0.329 29.729 29.700 -0.500 0.000 0.787 494 E HN 0.321 nan 8.360 nan 0.000 0.473 495 F N 0.338 120.286 119.950 -0.003 0.000 2.520 495 F HA 0.178 5.021 4.527 0.528 0.000 0.322 495 F C 0.730 176.629 175.800 0.165 0.000 1.103 495 F CA -1.014 57.024 58.000 0.063 0.000 0.926 495 F CB 1.612 40.640 39.000 0.046 0.000 1.154 495 F HN -0.106 nan 8.300 nan 0.000 0.453 496 L N 2.172 123.634 121.223 0.399 0.000 2.013 496 L HA -0.211 4.447 4.340 0.530 0.000 0.212 496 L C 1.898 179.004 176.870 0.393 0.000 1.073 496 L CA 2.142 57.221 54.840 0.398 0.000 0.753 496 L CB -0.546 41.624 42.059 0.184 0.000 0.890 496 L HN 0.642 nan 8.230 nan 0.000 0.432 497 E N -0.352 120.015 120.200 0.279 0.000 2.331 497 E HA -0.178 4.490 4.350 0.530 0.000 0.199 497 E C 1.467 178.185 176.600 0.197 0.000 1.008 497 E CA 1.140 57.660 56.400 0.199 0.000 0.843 497 E CB -0.235 29.541 29.700 0.126 0.000 0.761 497 E HN 0.561 nan 8.360 nan 0.000 0.507 498 D N -0.961 119.572 120.400 0.223 0.000 2.350 498 D HA -0.033 4.925 4.640 0.530 0.000 0.213 498 D C -0.413 175.926 176.300 0.066 0.000 1.031 498 D CA 0.130 54.204 54.000 0.123 0.000 0.861 498 D CB 0.023 40.883 40.800 0.100 0.000 0.926 498 D HN 0.213 nan 8.370 nan 0.000 0.520 499 Y N 2.046 122.410 120.300 0.107 0.000 2.544 499 Y HA 0.052 4.924 4.550 0.536 0.000 0.330 499 Y C 1.164 177.120 175.900 0.094 0.000 1.136 499 Y CA 0.390 58.557 58.100 0.113 0.000 1.417 499 Y CB 0.461 39.005 38.460 0.140 0.000 1.229 499 Y HN -0.202 nan 8.280 nan 0.000 0.532 500 E N 1.858 122.174 120.200 0.194 0.000 2.222 500 E HA 0.069 4.737 4.350 0.530 0.000 0.267 500 E C 0.637 177.312 176.600 0.125 0.000 0.963 500 E CA -0.779 55.695 56.400 0.123 0.000 0.837 500 E CB 1.219 30.960 29.700 0.070 0.000 1.183 500 E HN 0.590 nan 8.360 nan 0.000 0.403 501 E N 1.663 121.892 120.200 0.049 0.000 2.265 501 E HA -0.119 4.549 4.350 0.530 0.000 0.196 501 E C 1.325 177.956 176.600 0.052 0.000 0.996 501 E CA 0.915 57.322 56.400 0.012 0.000 0.832 501 E CB -0.143 29.509 29.700 -0.080 0.000 0.756 501 E HN 0.766 nan 8.360 nan 0.000 0.491 502 G N 0.299 109.134 108.800 0.058 0.000 2.920 502 G HA2 -0.106 4.173 3.960 0.530 0.000 0.208 502 G HA3 -0.106 4.173 3.960 0.530 0.000 0.208 502 G C 0.771 175.720 174.900 0.080 0.000 1.159 502 G CA 0.103 45.239 45.100 0.060 0.000 0.784 502 G HN 0.145 nan 8.290 nan 0.000 0.535 503 D N 0.326 120.800 120.400 0.124 0.000 2.366 503 D HA 0.084 5.042 4.640 0.530 0.000 0.205 503 D C 1.424 177.812 176.300 0.146 0.000 1.022 503 D CA 0.317 54.432 54.000 0.191 0.000 0.868 503 D CB 0.261 41.259 40.800 0.330 0.000 0.953 503 D HN 0.478 nan 8.370 nan 0.000 0.514 504 M N 0.018 119.618 119.600 -0.001 0.000 2.321 504 M HA 0.628 5.426 4.480 0.530 0.000 0.315 504 M C -0.949 175.287 176.300 -0.106 0.000 1.052 504 M CA -0.851 54.286 55.300 -0.271 0.000 0.936 504 M CB 2.993 35.267 32.600 -0.544 0.000 1.639 504 M HN -0.377 nan 8.290 nan 0.000 0.433 505 E N 2.426 122.535 120.200 -0.153 0.000 2.176 505 E HA 0.545 5.213 4.350 0.530 0.000 0.267 505 E C -1.723 174.759 176.600 -0.197 0.000 0.893 505 E CA -0.701 55.639 56.400 -0.100 0.000 0.761 505 E CB 2.097 31.772 29.700 -0.042 0.000 1.133 505 E HN 0.665 nan 8.360 nan 0.000 0.409 506 V N 6.571 126.327 119.914 -0.265 0.000 2.461 506 V HA 0.320 4.758 4.120 0.530 0.000 0.275 506 V C 0.354 176.368 176.094 -0.134 0.000 1.047 506 V CA -0.262 61.817 62.300 -0.370 0.000 0.955 506 V CB 0.254 31.689 31.823 -0.645 0.000 0.988 506 V HN 0.651 nan 8.190 nan 0.000 0.471 507 I N 0.608 121.144 120.570 -0.057 0.000 2.740 507 I HA 0.650 5.139 4.170 0.530 0.000 0.303 507 I C -0.085 176.115 176.117 0.138 0.000 1.044 507 I CA -0.810 60.515 61.300 0.043 0.000 1.064 507 I CB 2.137 40.157 38.000 0.033 0.000 1.249 507 I HN 0.544 nan 8.210 nan 0.000 0.433 508 D N 1.858 122.342 120.400 0.140 0.000 2.911 508 D HA -0.294 4.665 4.640 0.530 0.000 0.227 508 D C -0.654 175.789 176.300 0.238 0.000 1.164 508 D CA 1.160 55.267 54.000 0.178 0.000 0.782 508 D CB -1.360 39.574 40.800 0.223 0.000 1.094 508 D HN 0.782 nan 8.370 nan 0.000 0.425 509 Y N 0.211 120.541 120.300 0.050 0.000 2.404 509 Y HA 0.372 5.242 4.550 0.533 0.000 0.344 509 Y C 0.327 176.258 175.900 0.052 0.000 0.995 509 Y CA -0.402 57.721 58.100 0.039 0.000 1.201 509 Y CB 0.720 39.173 38.460 -0.011 0.000 1.151 509 Y HN 0.070 nan 8.280 nan 0.000 0.517 510 A N 9.184 131.927 122.820 -0.129 0.000 3.218 510 A HA 0.364 5.003 4.320 0.530 0.000 0.321 510 A C -2.624 174.781 177.584 -0.298 0.000 1.012 510 A CA -1.508 50.410 52.037 -0.198 0.000 0.948 510 A CB -0.512 18.452 19.000 -0.060 0.000 1.050 510 A HN 0.612 nan 8.150 nan 0.000 0.492 511 P HA 0.066 nan 4.420 nan 0.000 0.270 511 P C -0.604 176.646 177.300 -0.083 0.000 1.227 511 P CA 0.293 63.220 63.100 -0.289 0.000 0.788 511 P CB 0.588 32.026 31.700 -0.436 0.000 0.926 512 Y N -0.221 120.040 120.300 -0.064 0.000 2.334 512 Y HA 0.302 5.170 4.550 0.529 0.000 0.325 512 Y C -1.251 174.640 175.900 -0.014 0.000 1.308 512 Y CA -1.688 56.401 58.100 -0.018 0.000 1.389 512 Y CB -1.029 37.438 38.460 0.011 0.000 1.328 512 Y HN 0.314 nan 8.280 nan 0.000 0.532 513 P HA 0.103 nan 4.420 nan 0.000 0.270 513 P C -2.562 174.792 177.300 0.091 0.000 1.223 513 P CA -0.899 62.260 63.100 0.098 0.000 0.785 513 P CB -0.123 31.628 31.700 0.085 0.000 0.923 514 P HA -0.001 nan 4.420 nan 0.000 0.264 514 P C -0.156 177.172 177.300 0.048 0.000 1.183 514 P CA 0.229 63.359 63.100 0.051 0.000 0.763 514 P CB -0.141 31.580 31.700 0.036 0.000 0.807 515 I N -0.235 120.360 120.570 0.042 0.000 2.996 515 I HA -0.067 4.421 4.170 0.530 0.000 0.285 515 I C 0.796 176.931 176.117 0.030 0.000 1.173 515 I CA 0.182 61.502 61.300 0.034 0.000 1.396 515 I CB -0.800 37.216 38.000 0.027 0.000 1.470 515 I HN 0.247 nan 8.210 nan 0.000 0.586 516 S N 8.623 124.343 115.700 0.032 0.000 3.064 516 S HA 0.043 4.831 4.470 0.530 0.000 0.291 516 S C 0.325 174.939 174.600 0.025 0.000 0.958 516 S CA -0.215 58.002 58.200 0.028 0.000 1.775 516 S CB -0.628 62.590 63.200 0.030 0.000 1.466 516 S HN 0.677 nan 8.310 nan 0.000 0.636 517 M N 0.000 119.614 119.600 0.023 0.000 2.572 517 M HA 0.000 4.798 4.480 0.530 0.000 0.227 517 M CA 0.000 55.314 55.300 0.023 0.000 0.988 517 M CB 0.000 32.616 32.600 0.027 0.000 1.302 517 M HN 0.000 nan 8.290 nan 0.000 0.411