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 3irn_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 PPISMK 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 0.000 176.613 176.870 -0.428 0.000 1.165 3 L CA 0.000 54.634 54.840 -0.343 0.000 0.813 3 L CB 0.000 41.760 42.059 -0.499 0.000 0.961 4 F N 0.767 120.672 119.950 -0.075 0.000 2.694 4 F HA 0.296 5.118 4.527 0.491 0.000 0.292 4 F C 0.940 176.709 175.800 -0.051 0.000 1.121 4 F CA -0.308 57.669 58.000 -0.039 0.000 1.352 4 F CB 0.445 39.433 39.000 -0.020 0.000 1.107 4 F HN -0.227 nan 8.300 nan 0.000 0.597 5 K N 1.331 121.744 120.400 0.021 0.000 2.154 5 K HA 0.384 5.000 4.320 0.493 0.000 0.264 5 K C -0.373 176.297 176.600 0.117 0.000 1.008 5 K CA -0.354 55.916 56.287 -0.029 0.000 0.937 5 K CB 1.282 33.575 32.500 -0.345 0.000 1.002 5 K HN -0.014 nan 8.250 nan 0.000 0.469 6 I N 3.003 123.702 120.570 0.215 0.000 2.308 6 I HA 0.104 4.570 4.170 0.493 0.000 0.293 6 I C 0.549 176.896 176.117 0.383 0.000 1.078 6 I CA -0.306 61.136 61.300 0.237 0.000 1.292 6 I CB 0.582 38.660 38.000 0.130 0.000 1.423 6 I HN 0.415 nan 8.210 nan 0.000 0.493 7 R N 7.095 127.801 120.500 0.344 0.000 2.442 7 R HA 0.237 4.872 4.340 0.493 0.000 0.291 7 R C -0.243 176.022 176.300 -0.059 0.000 1.069 7 R CA -0.600 55.517 56.100 0.029 0.000 1.022 7 R CB 0.606 30.896 30.300 -0.015 0.000 0.976 7 R HN 0.462 nan 8.270 nan 0.000 0.443 8 M N 6.145 125.660 119.600 -0.142 0.000 2.233 8 M HA 0.233 5.008 4.480 0.493 0.000 0.350 8 M C -1.758 174.484 176.300 -0.098 0.000 1.176 8 M CA -2.293 52.964 55.300 -0.072 0.000 1.150 8 M CB 0.511 33.098 32.600 -0.022 0.000 1.530 8 M HN 0.575 nan 8.290 nan 0.000 0.459 9 P HA 0.160 nan 4.420 nan 0.000 0.279 9 P C -0.180 177.079 177.300 -0.068 0.000 1.282 9 P CA -0.173 62.887 63.100 -0.067 0.000 0.788 9 P CB 0.354 32.020 31.700 -0.057 0.000 1.139 10 E N -1.562 118.603 120.200 -0.059 0.000 2.478 10 E HA -0.027 4.619 4.350 0.493 0.000 0.194 10 E C 0.762 177.335 176.600 -0.045 0.000 1.045 10 E CA 0.427 56.795 56.400 -0.053 0.000 0.868 10 E CB -0.821 28.852 29.700 -0.046 0.000 0.885 10 E HN 0.384 nan 8.360 nan 0.000 0.505 11 T N -1.681 112.845 114.554 -0.046 0.000 3.188 11 T HA 0.112 4.758 4.350 0.493 0.000 0.250 11 T C 1.607 176.275 174.700 -0.054 0.000 1.077 11 T CA 0.168 62.243 62.100 -0.043 0.000 0.967 11 T CB 0.509 69.353 68.868 -0.040 0.000 1.006 11 T HN 0.087 nan 8.240 nan 0.000 0.552 12 V N 1.738 121.616 119.914 -0.061 0.000 2.278 12 V HA -0.205 4.211 4.120 0.493 0.000 0.251 12 V C 2.718 178.753 176.094 -0.099 0.000 1.062 12 V CA 2.433 64.686 62.300 -0.079 0.000 1.038 12 V CB -1.153 30.639 31.823 -0.051 0.000 0.646 12 V HN 0.669 nan 8.190 nan 0.000 0.447 13 A N -1.063 121.719 122.820 -0.064 0.000 1.935 13 A HA -0.038 4.577 4.320 0.493 0.000 0.214 13 A C 1.981 179.542 177.584 -0.038 0.000 1.178 13 A CA 1.110 53.116 52.037 -0.052 0.000 0.640 13 A CB -0.457 18.534 19.000 -0.015 0.000 0.825 13 A HN 0.580 nan 8.150 nan 0.000 0.447 14 E N 0.282 120.464 120.200 -0.031 0.000 2.204 14 E HA -0.104 4.541 4.350 0.493 0.000 0.195 14 E C 1.972 178.561 176.600 -0.019 0.000 0.990 14 E CA 0.984 57.373 56.400 -0.018 0.000 0.821 14 E CB -1.000 28.689 29.700 -0.017 0.000 0.750 14 E HN 0.553 nan 8.360 nan 0.000 0.477 15 G N 0.828 109.603 108.800 -0.042 0.000 2.470 15 G HA2 -0.187 4.068 3.960 0.493 0.000 0.220 15 G HA3 -0.187 4.068 3.960 0.493 0.000 0.220 15 G C 1.047 175.935 174.900 -0.020 0.000 1.121 15 G CA 1.505 46.581 45.100 -0.040 0.000 0.766 15 G HN 0.372 nan 8.290 nan 0.000 0.553 16 T N -2.983 111.561 114.554 -0.016 0.000 3.884 16 T HA 0.387 5.033 4.350 0.493 0.000 0.284 16 T C 0.068 174.814 174.700 0.077 0.000 0.961 16 T CA -0.706 61.418 62.100 0.041 0.000 1.071 16 T CB 0.233 69.137 68.868 0.060 0.000 1.121 16 T HN 0.204 nan 8.240 nan 0.000 0.496 17 R N 1.326 121.857 120.500 0.053 0.000 2.442 17 R HA 0.419 5.055 4.340 0.493 0.000 0.291 17 R C -0.240 176.100 176.300 0.066 0.000 1.069 17 R CA -0.787 55.349 56.100 0.061 0.000 1.022 17 R CB 0.287 30.611 30.300 0.039 0.000 0.976 17 R HN 0.330 nan 8.270 nan 0.000 0.443 18 L N 5.920 127.185 121.223 0.070 0.000 2.536 18 L HA 0.145 4.780 4.340 0.493 0.000 0.282 18 L C 0.939 177.829 176.870 0.032 0.000 1.147 18 L CA 0.601 55.471 54.840 0.050 0.000 0.936 18 L CB 0.448 42.530 42.059 0.038 0.000 1.279 18 L HN 0.910 nan 8.230 nan 0.000 0.461 19 A N 5.909 128.749 122.820 0.034 0.000 1.849 19 A HA -0.014 4.602 4.320 0.493 0.000 0.217 19 A C 0.764 178.359 177.584 0.018 0.000 1.202 19 A CA 1.308 53.363 52.037 0.030 0.000 0.629 19 A CB -0.458 18.566 19.000 0.041 0.000 0.834 19 A HN 0.604 nan 8.150 nan 0.000 0.447 20 L N -1.454 119.772 121.223 0.006 0.000 2.381 20 L HA 0.569 5.205 4.340 0.493 0.000 0.268 20 L C -0.086 176.754 176.870 -0.050 0.000 0.997 20 L CA -1.108 53.730 54.840 -0.003 0.000 0.818 20 L CB 1.790 43.866 42.059 0.028 0.000 1.310 20 L HN 0.300 nan 8.230 nan 0.000 0.416 21 R N 2.012 122.490 120.500 -0.037 0.000 2.531 21 R HA 0.639 5.275 4.340 0.493 0.000 0.273 21 R C -0.485 175.795 176.300 -0.032 0.000 1.070 21 R CA -0.051 56.006 56.100 -0.071 0.000 1.112 21 R CB 1.232 31.524 30.300 -0.014 0.000 1.049 21 R HN 0.715 nan 8.270 nan 0.000 0.508 22 A N 4.208 126.949 122.820 -0.133 0.000 2.354 22 A HA 0.536 5.151 4.320 0.493 0.000 0.269 22 A C -0.681 176.987 177.584 0.141 0.000 1.109 22 A CA -0.340 51.683 52.037 -0.023 0.000 0.800 22 A CB -0.237 18.678 19.000 -0.140 0.000 1.045 22 A HN 0.689 nan 8.150 nan 0.000 0.489 23 F N 0.001 119.936 119.950 -0.025 0.000 2.706 23 F HA 0.875 5.697 4.527 0.492 0.000 0.328 23 F C -0.114 175.667 175.800 -0.032 0.000 1.123 23 F CA -0.818 57.149 58.000 -0.055 0.000 0.978 23 F CB 1.190 40.172 39.000 -0.029 0.000 1.404 23 F HN 0.399 nan 8.300 nan 0.000 0.497 24 S N 0.814 116.426 115.700 -0.147 0.000 2.671 24 S HA 0.742 5.507 4.470 0.493 0.000 0.299 24 S C -1.679 173.062 174.600 0.234 0.000 1.116 24 S CA -0.860 57.254 58.200 -0.143 0.000 0.912 24 S CB 1.972 65.097 63.200 -0.124 0.000 1.130 24 S HN 0.828 nan 8.310 nan 0.000 0.501 25 L N 1.794 123.203 121.223 0.309 0.000 2.410 25 L HA 0.783 5.419 4.340 0.493 0.000 0.270 25 L C -1.812 175.372 176.870 0.523 0.000 0.983 25 L CA -0.617 54.515 54.840 0.486 0.000 0.822 25 L CB 1.355 43.700 42.059 0.476 0.000 1.285 25 L HN 0.460 nan 8.230 nan 0.000 0.409 26 V N 5.283 125.545 119.914 0.580 0.000 2.513 26 V HA 0.752 5.167 4.120 0.493 0.000 0.299 26 V C -0.439 175.884 176.094 0.382 0.000 1.035 26 V CA -0.552 62.068 62.300 0.533 0.000 0.889 26 V CB 1.819 33.981 31.823 0.565 0.000 0.988 26 V HN 0.584 nan 8.190 nan 0.000 0.440 27 V N 3.012 123.012 119.914 0.143 0.000 3.204 27 V HA 0.943 5.358 4.120 0.493 0.000 0.298 27 V C -1.090 174.918 176.094 -0.144 0.000 1.328 27 V CA -0.041 62.203 62.300 -0.094 0.000 1.035 27 V CB 2.437 33.803 31.823 -0.762 0.000 1.095 27 V HN 1.292 nan 8.190 nan 0.000 0.442 28 A N 3.977 126.734 122.820 -0.104 0.000 2.355 28 A HA 0.996 5.611 4.320 0.493 0.000 0.317 28 A C -0.724 176.814 177.584 -0.077 0.000 1.094 28 A CA 0.036 52.020 52.037 -0.089 0.000 0.764 28 A CB 1.725 20.744 19.000 0.031 0.000 1.230 28 A HN 2.163 nan 8.150 nan 0.000 0.448 29 V N -0.525 119.287 119.914 -0.170 0.000 3.181 29 V HA 0.879 5.294 4.120 0.493 0.000 0.308 29 V C -1.260 174.667 176.094 -0.278 0.000 1.214 29 V CA -0.825 61.407 62.300 -0.115 0.000 1.053 29 V CB 2.021 33.777 31.823 -0.112 0.000 1.069 29 V HN 0.973 nan 8.190 nan 0.000 0.441 30 D N -0.719 119.549 120.400 -0.219 0.000 2.442 30 D HA 0.363 5.299 4.640 0.493 0.000 0.254 30 D C 0.540 176.746 176.300 -0.157 0.000 1.069 30 D CA -0.638 53.154 54.000 -0.347 0.000 1.017 30 D CB 1.144 41.695 40.800 -0.414 0.000 1.172 30 D HN 0.695 nan 8.370 nan 0.000 0.561 31 E N -1.312 118.772 120.200 -0.193 0.000 2.483 31 E HA -0.214 4.432 4.350 0.493 0.000 0.205 31 E C 0.618 177.015 176.600 -0.338 0.000 1.075 31 E CA 0.971 57.228 56.400 -0.238 0.000 0.889 31 E CB -0.126 29.395 29.700 -0.298 0.000 0.816 31 E HN 0.407 nan 8.360 nan 0.000 0.567 32 H N -1.844 117.283 119.070 0.095 0.000 2.827 32 H HA 0.209 5.061 4.556 0.493 0.000 0.269 32 H C 1.206 176.742 175.328 0.345 0.000 1.031 32 H CA 0.720 56.886 56.048 0.196 0.000 1.202 32 H CB 1.528 31.455 29.762 0.276 0.000 1.511 32 H HN 0.251 nan 8.280 nan 0.000 0.517 33 G N 1.167 110.163 108.800 0.327 0.000 2.164 33 G HA2 -0.197 4.059 3.960 0.493 0.000 0.212 33 G HA3 -0.197 4.059 3.960 0.493 0.000 0.212 33 G C 0.569 175.633 174.900 0.273 0.000 1.031 33 G CA -0.004 45.297 45.100 0.336 0.000 0.730 33 G HN 0.613 nan 8.290 nan 0.000 0.501 34 G N 0.147 109.053 108.800 0.178 0.000 2.350 34 G HA2 0.615 4.870 3.960 0.493 0.000 0.306 34 G HA3 0.615 4.870 3.960 0.493 0.000 0.306 34 G C 1.304 176.305 174.900 0.169 0.000 1.094 34 G CA -0.157 44.957 45.100 0.022 0.000 0.953 34 G HN 1.051 nan 8.290 nan 0.000 0.420 35 I N 1.751 122.361 120.570 0.066 0.000 2.252 35 I HA 0.350 4.816 4.170 0.493 0.000 0.245 35 I C 0.980 177.160 176.117 0.105 0.000 1.102 35 I CA 0.763 62.138 61.300 0.126 0.000 1.385 35 I CB -0.121 37.963 38.000 0.139 0.000 1.064 35 I HN 0.525 nan 8.210 nan 0.000 0.414 36 G N 1.122 109.905 108.800 -0.028 0.000 2.338 36 G HA2 0.188 4.444 3.960 0.493 0.000 0.295 36 G HA3 0.188 4.444 3.960 0.493 0.000 0.295 36 G C -1.462 173.329 174.900 -0.181 0.000 1.461 36 G CA -0.039 44.938 45.100 -0.205 0.000 0.817 36 G HN 0.363 nan 8.290 nan 0.000 0.556 37 D N -0.631 119.638 120.400 -0.218 0.000 2.494 37 D HA 0.367 5.303 4.640 0.493 0.000 0.249 37 D C 1.731 177.962 176.300 -0.114 0.000 1.223 37 D CA 0.855 54.766 54.000 -0.150 0.000 0.865 37 D CB 0.055 40.770 40.800 -0.142 0.000 0.974 37 D HN 1.555 nan 8.370 nan 0.000 0.491 38 G N 1.245 109.982 108.800 -0.105 0.000 2.413 38 G HA2 -0.394 3.861 3.960 0.493 0.000 0.259 38 G HA3 -0.394 3.861 3.960 0.493 0.000 0.259 38 G C 0.834 175.688 174.900 -0.076 0.000 1.003 38 G CA 0.076 45.133 45.100 -0.072 0.000 0.629 38 G HN 0.379 nan 8.290 nan 0.000 0.548 39 R N 0.452 120.894 120.500 -0.097 0.000 3.472 39 R HA 0.612 5.248 4.340 0.493 0.000 0.322 39 R C 0.396 176.621 176.300 -0.125 0.000 1.330 39 R CA 0.211 56.255 56.100 -0.093 0.000 1.387 39 R CB -0.280 29.972 30.300 -0.079 0.000 1.446 39 R HN 0.687 nan 8.270 nan 0.000 0.628 40 S N 0.558 116.174 115.700 -0.140 0.000 2.910 40 S HA -0.161 4.605 4.470 0.493 0.000 0.857 40 S C 0.080 174.517 174.600 -0.271 0.000 0.917 40 S CA -0.400 57.695 58.200 -0.175 0.000 1.426 40 S CB -0.108 63.001 63.200 -0.152 0.000 1.021 40 S HN 0.674 nan 8.310 nan 0.000 0.237 41 I N 6.050 126.436 120.570 -0.307 0.000 2.769 41 I HA 0.105 4.571 4.170 0.493 0.000 0.285 41 I C -1.361 174.389 176.117 -0.612 0.000 1.173 41 I CA -1.277 59.713 61.300 -0.517 0.000 1.389 41 I CB 0.891 38.670 38.000 -0.368 0.000 1.404 41 I HN 0.404 nan 8.210 nan 0.000 0.544 42 P HA 0.029 nan 4.420 nan 0.000 0.242 42 P C -1.505 175.575 177.300 -0.367 0.000 1.197 42 P CA 0.607 63.353 63.100 -0.589 0.000 0.765 42 P CB -0.082 31.278 31.700 -0.566 0.000 0.936 43 W N -0.712 120.547 121.300 -0.069 0.000 2.411 43 W HA 0.507 5.463 4.660 0.493 0.000 0.317 43 W C -0.528 175.934 176.519 -0.096 0.000 1.030 43 W CA -1.234 56.065 57.345 -0.077 0.000 1.239 43 W CB -0.260 29.152 29.460 -0.080 0.000 1.304 43 W HN -0.313 nan 8.180 nan 0.000 0.437 44 N N 3.043 121.800 118.700 0.094 0.000 2.589 44 N HA 0.244 5.279 4.740 0.493 0.000 0.232 44 N C -1.296 174.216 175.510 0.005 0.000 1.015 44 N CA -0.312 52.748 53.050 0.016 0.000 0.931 44 N CB 1.235 39.709 38.487 -0.023 0.000 1.150 44 N HN 0.412 nan 8.380 nan 0.000 0.512 45 V N 6.701 126.600 119.914 -0.024 0.000 2.217 45 V HA 0.222 4.637 4.120 0.493 0.000 0.264 45 V C -1.144 174.865 176.094 -0.141 0.000 1.107 45 V CA -1.399 60.823 62.300 -0.131 0.000 0.913 45 V CB 0.969 32.639 31.823 -0.255 0.000 1.153 45 V HN 0.469 nan 8.190 nan 0.000 0.469 46 P HA -0.299 nan 4.420 nan 0.000 0.229 46 P C 1.244 178.528 177.300 -0.027 0.000 1.147 46 P CA 1.805 64.875 63.100 -0.051 0.000 0.949 46 P CB 0.515 32.193 31.700 -0.037 0.000 0.786 47 E N -0.398 119.762 120.200 -0.066 0.000 2.118 47 E HA -0.194 4.452 4.350 0.493 0.000 0.195 47 E C 1.899 178.590 176.600 0.151 0.000 0.992 47 E CA 1.716 58.140 56.400 0.039 0.000 0.804 47 E CB -1.202 28.516 29.700 0.031 0.000 0.741 47 E HN 0.460 nan 8.360 nan 0.000 0.458 48 D N -0.852 119.558 120.400 0.016 0.000 2.144 48 D HA -0.129 4.807 4.640 0.493 0.000 0.200 48 D C 1.751 178.224 176.300 0.288 0.000 0.978 48 D CA 1.082 55.199 54.000 0.195 0.000 0.833 48 D CB 0.095 40.883 40.800 -0.020 0.000 0.961 48 D HN 0.029 nan 8.370 nan 0.000 0.470 49 M N 0.148 119.829 119.600 0.135 0.000 2.117 49 M HA -0.115 4.660 4.480 0.493 0.000 0.262 49 M C 2.299 178.689 176.300 0.151 0.000 1.065 49 M CA 1.174 56.550 55.300 0.126 0.000 1.114 49 M CB -0.609 32.004 32.600 0.021 0.000 1.361 49 M HN 0.085 nan 8.290 nan 0.000 0.408 50 K N -0.024 120.443 120.400 0.112 0.000 2.103 50 K HA -0.172 4.444 4.320 0.493 0.000 0.204 50 K C 1.915 178.548 176.600 0.054 0.000 1.052 50 K CA 1.018 57.341 56.287 0.061 0.000 0.945 50 K CB -0.226 32.305 32.500 0.051 0.000 0.722 50 K HN 0.125 nan 8.250 nan 0.000 0.443 51 F N 1.109 121.084 119.950 0.040 0.000 2.075 51 F HA -0.198 4.625 4.527 0.492 0.000 0.297 51 F C 1.837 177.611 175.800 -0.042 0.000 1.113 51 F CA 1.606 59.601 58.000 -0.009 0.000 1.218 51 F CB -0.790 38.275 39.000 0.108 0.000 0.984 51 F HN 0.097 nan 8.300 nan 0.000 0.472 52 F N 1.617 121.424 119.950 -0.239 0.000 2.065 52 F HA -0.210 4.613 4.527 0.493 0.000 0.298 52 F C 2.780 178.342 175.800 -0.397 0.000 1.112 52 F CA 2.411 60.199 58.000 -0.354 0.000 1.212 52 F CB -0.758 38.196 39.000 -0.077 0.000 0.975 52 F HN -0.035 nan 8.300 nan 0.000 0.476 53 R N 0.534 120.880 120.500 -0.257 0.000 2.083 53 R HA -0.197 4.439 4.340 0.493 0.000 0.237 53 R C 1.919 177.946 176.300 -0.456 0.000 1.137 53 R CA 2.284 58.185 56.100 -0.331 0.000 0.951 53 R CB -0.887 29.359 30.300 -0.090 0.000 0.851 53 R HN 0.338 nan 8.270 nan 0.000 0.434 54 D N 0.774 120.933 120.400 -0.402 0.000 2.087 54 D HA -0.196 4.740 4.640 0.493 0.000 0.192 54 D C 1.924 177.908 176.300 -0.526 0.000 0.993 54 D CA 1.139 54.909 54.000 -0.383 0.000 0.828 54 D CB -0.444 40.180 40.800 -0.294 0.000 0.968 54 D HN 0.170 nan 8.370 nan 0.000 0.448 55 L N 0.871 121.624 121.223 -0.784 0.000 1.989 55 L HA -0.175 4.461 4.340 0.493 0.000 0.211 55 L C 2.400 178.660 176.870 -1.016 0.000 1.071 55 L CA 2.550 56.861 54.840 -0.881 0.000 0.749 55 L CB -1.224 40.096 42.059 -1.230 0.000 0.890 55 L HN 0.178 nan 8.230 nan 0.000 0.431 56 T N -5.552 108.248 114.554 -1.257 0.000 3.035 56 T HA -0.063 4.583 4.350 0.493 0.000 0.268 56 T C 1.522 175.816 174.700 -0.678 0.000 1.109 56 T CA 1.433 62.745 62.100 -1.312 0.000 1.119 56 T CB -0.602 67.475 68.868 -1.319 0.000 0.900 56 T HN 0.414 nan 8.240 nan 0.000 0.503 57 T N 0.900 115.144 114.554 -0.517 0.000 2.980 57 T HA 0.206 4.851 4.350 0.493 0.000 0.239 57 T C 0.801 175.385 174.700 -0.193 0.000 1.011 57 T CA 0.090 62.017 62.100 -0.288 0.000 1.171 57 T CB 0.042 68.767 68.868 -0.238 0.000 0.873 57 T HN 0.382 nan 8.240 nan 0.000 0.431 58 K N 1.138 121.415 120.400 -0.205 0.000 2.397 58 K HA 0.287 4.902 4.320 0.493 0.000 0.265 58 K C -0.527 176.023 176.600 -0.084 0.000 0.982 58 K CA 0.184 56.392 56.287 -0.131 0.000 0.931 58 K CB 0.251 32.667 32.500 -0.139 0.000 0.943 58 K HN 0.166 nan 8.250 nan 0.000 0.501 59 L N 1.414 122.610 121.223 -0.046 0.000 2.322 59 L HA 0.360 4.996 4.340 0.493 0.000 0.269 59 L C 1.597 178.460 176.870 -0.011 0.000 1.012 59 L CA -0.810 54.023 54.840 -0.011 0.000 0.815 59 L CB 1.507 43.567 42.059 0.002 0.000 1.295 59 L HN 0.557 nan 8.230 nan 0.000 0.438 60 R N 1.296 121.799 120.500 0.005 0.000 2.073 60 R HA -0.054 4.582 4.340 0.493 0.000 0.234 60 R C 0.896 177.195 176.300 -0.002 0.000 1.134 60 R CA 1.021 57.119 56.100 -0.002 0.000 0.952 60 R CB -0.421 29.882 30.300 0.004 0.000 0.850 60 R HN 0.799 nan 8.270 nan 0.000 0.433 61 G N 2.412 111.217 108.800 0.009 0.000 2.369 61 G HA2 -0.099 4.156 3.960 0.493 0.000 0.287 61 G HA3 -0.099 4.156 3.960 0.493 0.000 0.287 61 G C -0.271 174.630 174.900 0.001 0.000 1.009 61 G CA -0.061 45.046 45.100 0.011 0.000 1.393 61 G HN 0.261 nan 8.290 nan 0.000 0.432 62 K N 2.436 122.834 120.400 -0.003 0.000 3.256 62 K HA 0.010 4.626 4.320 0.493 0.000 0.285 62 K C 0.963 177.560 176.600 -0.005 0.000 1.086 62 K CA 0.197 56.478 56.287 -0.009 0.000 1.125 62 K CB -0.098 32.396 32.500 -0.011 0.000 1.292 62 K HN 0.788 nan 8.250 nan 0.000 0.312 63 N N -2.121 116.578 118.700 -0.002 0.000 1.863 63 N HA -0.035 5.000 4.740 0.493 0.000 0.241 63 N C -0.204 175.308 175.510 0.003 0.000 1.395 63 N CA -0.100 52.951 53.050 0.001 0.000 0.765 63 N CB 0.379 38.869 38.487 0.006 0.000 1.120 63 N HN -0.100 nan 8.380 nan 0.000 0.510 64 V N 1.807 121.723 119.914 0.004 0.000 2.617 64 V HA 0.461 4.877 4.120 0.493 0.000 0.298 64 V C -0.127 175.967 176.094 0.001 0.000 1.048 64 V CA -0.448 61.856 62.300 0.007 0.000 0.964 64 V CB 1.532 33.363 31.823 0.013 0.000 1.004 64 V HN 0.015 nan 8.190 nan 0.000 0.466 65 K N 3.568 123.970 120.400 0.005 0.000 2.123 65 K HA 0.524 5.140 4.320 0.493 0.000 0.259 65 K C -2.726 173.879 176.600 0.008 0.000 0.960 65 K CA -2.110 54.178 56.287 0.002 0.000 0.872 65 K CB 0.695 33.198 32.500 0.005 0.000 1.079 65 K HN 0.350 nan 8.250 nan 0.000 0.440 66 P HA 0.031 nan 4.420 nan 0.000 0.264 66 P C -0.965 176.351 177.300 0.027 0.000 1.236 66 P CA -0.033 63.076 63.100 0.014 0.000 0.811 66 P CB 0.375 32.077 31.700 0.004 0.000 0.840 67 S N 3.631 119.350 115.700 0.032 0.000 2.664 67 S HA 0.554 5.320 4.470 0.493 0.000 0.304 67 S C -2.051 172.577 174.600 0.046 0.000 1.099 67 S CA -1.883 56.339 58.200 0.037 0.000 1.003 67 S CB 1.622 64.840 63.200 0.030 0.000 1.092 67 S HN 0.032 nan 8.310 nan 0.000 0.525 68 P HA 0.019 nan 4.420 nan 0.000 0.221 68 P C 1.252 178.586 177.300 0.056 0.000 1.145 68 P CA 1.466 64.603 63.100 0.062 0.000 0.795 68 P CB -0.112 31.623 31.700 0.058 0.000 0.775 69 A N -1.429 121.416 122.820 0.042 0.000 1.970 69 A HA -0.026 4.589 4.320 0.493 0.000 0.216 69 A C 1.311 178.920 177.584 0.043 0.000 1.170 69 A CA 1.212 53.271 52.037 0.036 0.000 0.645 69 A CB -0.404 18.611 19.000 0.027 0.000 0.816 69 A HN 0.028 nan 8.150 nan 0.000 0.447 70 K N 0.111 120.538 120.400 0.045 0.000 2.740 70 K HA 0.339 4.955 4.320 0.493 0.000 0.246 70 K C -0.703 175.925 176.600 0.046 0.000 1.021 70 K CA -0.363 55.952 56.287 0.046 0.000 1.021 70 K CB 0.376 32.898 32.500 0.038 0.000 1.233 70 K HN 0.590 nan 8.250 nan 0.000 0.497 71 R N 1.226 121.760 120.500 0.056 0.000 2.781 71 R HA 0.560 5.196 4.340 0.493 0.000 0.269 71 R C -0.954 175.384 176.300 0.062 0.000 1.025 71 R CA -1.053 55.077 56.100 0.050 0.000 0.914 71 R CB 0.761 31.092 30.300 0.051 0.000 1.236 71 R HN 0.207 nan 8.270 nan 0.000 0.465 72 N N -0.250 118.481 118.700 0.052 0.000 2.509 72 N HA 0.424 5.460 4.740 0.493 0.000 0.287 72 N C -0.835 174.725 175.510 0.083 0.000 1.121 72 N CA -0.204 52.900 53.050 0.089 0.000 0.977 72 N CB 1.879 40.421 38.487 0.091 0.000 1.167 72 N HN 0.674 nan 8.380 nan 0.000 0.476 73 A N 0.878 123.764 122.820 0.110 0.000 2.294 73 A HA 0.665 5.281 4.320 0.493 0.000 0.330 73 A C -0.515 177.144 177.584 0.125 0.000 1.133 73 A CA -0.544 51.535 52.037 0.070 0.000 0.836 73 A CB 1.024 20.030 19.000 0.009 0.000 1.190 73 A HN 0.399 nan 8.150 nan 0.000 0.492 74 V N 1.800 121.768 119.914 0.089 0.000 2.569 74 V HA 0.429 4.845 4.120 0.493 0.000 0.301 74 V C -0.891 175.254 176.094 0.086 0.000 1.044 74 V CA -0.339 62.042 62.300 0.135 0.000 0.874 74 V CB 1.872 33.778 31.823 0.139 0.000 1.002 74 V HN 0.729 nan 8.190 nan 0.000 0.424 75 V N 7.034 126.995 119.914 0.077 0.000 2.459 75 V HA 0.710 5.126 4.120 0.493 0.000 0.295 75 V C -0.044 176.059 176.094 0.015 0.000 1.029 75 V CA -0.445 61.857 62.300 0.003 0.000 0.874 75 V CB 1.515 33.295 31.823 -0.071 0.000 0.985 75 V HN 0.936 nan 8.190 nan 0.000 0.438 76 M N 2.896 122.497 119.600 0.002 0.000 2.578 76 M HA 0.841 5.617 4.480 0.493 0.000 0.276 76 M C -0.163 176.127 176.300 -0.016 0.000 1.245 76 M CA -0.555 54.743 55.300 -0.004 0.000 0.871 76 M CB 2.151 34.794 32.600 0.071 0.000 1.722 76 M HN 0.622 nan 8.290 nan 0.000 0.473 77 G N 0.662 109.441 108.800 -0.034 0.000 2.507 77 G HA2 0.332 4.587 3.960 0.493 0.000 0.271 77 G HA3 0.332 4.587 3.960 0.493 0.000 0.271 77 G C 0.340 175.263 174.900 0.038 0.000 1.189 77 G CA -0.596 44.490 45.100 -0.023 0.000 0.859 77 G HN 1.000 nan 8.290 nan 0.000 0.542 78 R N 0.481 121.001 120.500 0.033 0.000 2.112 78 R HA -0.162 4.474 4.340 0.493 0.000 0.242 78 R C 2.278 178.659 176.300 0.135 0.000 1.137 78 R CA 2.025 58.178 56.100 0.088 0.000 0.944 78 R CB -0.333 29.991 30.300 0.041 0.000 0.857 78 R HN 0.621 nan 8.270 nan 0.000 0.435 79 K N -0.771 119.666 120.400 0.062 0.000 2.074 79 K HA -0.126 4.489 4.320 0.493 0.000 0.209 79 K C 2.075 178.693 176.600 0.029 0.000 1.048 79 K CA 2.161 58.470 56.287 0.037 0.000 0.926 79 K CB -0.179 32.323 32.500 0.003 0.000 0.713 79 K HN 0.295 nan 8.250 nan 0.000 0.444 80 T N 0.576 115.148 114.554 0.030 0.000 2.821 80 T HA -0.158 4.487 4.350 0.493 0.000 0.267 80 T C 1.194 175.916 174.700 0.037 0.000 1.046 80 T CA 0.887 62.989 62.100 0.004 0.000 1.139 80 T CB -0.192 68.668 68.868 -0.014 0.000 0.871 80 T HN 0.473 nan 8.240 nan 0.000 0.454 81 W N 2.495 123.767 121.300 -0.047 0.000 2.363 81 W HA -0.130 4.825 4.660 0.493 0.000 0.296 81 W C 1.100 177.603 176.519 -0.026 0.000 1.212 81 W CA 1.076 58.403 57.345 -0.031 0.000 1.260 81 W CB -0.336 29.109 29.460 -0.025 0.000 1.131 81 W HN 0.222 nan 8.180 nan 0.000 0.530 82 D N 0.366 120.771 120.400 0.008 0.000 2.097 82 D HA -0.157 4.778 4.640 0.493 0.000 0.195 82 D C 2.377 178.575 176.300 -0.169 0.000 0.989 82 D CA 1.936 55.886 54.000 -0.083 0.000 0.827 82 D CB -0.702 40.114 40.800 0.026 0.000 0.966 82 D HN 0.003 nan 8.370 nan 0.000 0.456 83 S N 0.192 115.818 115.700 -0.124 0.000 2.423 83 S HA -0.137 4.629 4.470 0.493 0.000 0.238 83 S C 1.088 175.589 174.600 -0.166 0.000 1.028 83 S CA 0.344 58.466 58.200 -0.130 0.000 1.000 83 S CB -0.228 62.902 63.200 -0.116 0.000 0.797 83 S HN 0.276 nan 8.310 nan 0.000 0.487 84 I N 2.859 123.279 120.570 -0.251 0.000 2.517 84 I HA 0.096 4.561 4.170 0.493 0.000 0.285 84 I C -2.441 173.544 176.117 -0.221 0.000 1.106 84 I CA -2.137 59.007 61.300 -0.261 0.000 1.402 84 I CB 0.438 38.180 38.000 -0.431 0.000 1.399 84 I HN -0.094 nan 8.210 nan 0.000 0.535 85 P HA 0.002 nan 4.420 nan 0.000 0.261 85 P C -1.959 175.261 177.300 -0.134 0.000 1.183 85 P CA -0.715 62.377 63.100 -0.013 0.000 0.761 85 P CB 0.170 32.034 31.700 0.274 0.000 0.785 86 P HA -0.252 nan 4.420 nan 0.000 0.218 86 P C 1.123 178.289 177.300 -0.225 0.000 1.152 86 P CA 1.989 64.975 63.100 -0.189 0.000 0.857 86 P CB -0.228 31.395 31.700 -0.128 0.000 0.787 87 K N -1.953 118.230 120.400 -0.361 0.000 2.504 87 K HA -0.017 4.599 4.320 0.493 0.000 0.195 87 K C 0.359 176.545 176.600 -0.690 0.000 1.036 87 K CA 1.111 57.066 56.287 -0.553 0.000 0.984 87 K CB -0.506 31.541 32.500 -0.755 0.000 0.788 87 K HN 0.127 nan 8.250 nan 0.000 0.488 88 F N 1.791 121.678 119.950 -0.104 0.000 2.764 88 F HA 0.348 5.171 4.527 0.493 0.000 0.310 88 F C -0.099 175.598 175.800 -0.172 0.000 1.124 88 F CA -0.848 57.086 58.000 -0.111 0.000 1.252 88 F CB 0.471 39.407 39.000 -0.108 0.000 1.010 88 F HN -0.200 nan 8.300 nan 0.000 0.518 89 R N 2.140 122.578 120.500 -0.103 0.000 2.460 89 R HA 0.440 5.076 4.340 0.493 0.000 0.303 89 R C -2.655 173.604 176.300 -0.068 0.000 0.968 89 R CA -1.567 54.401 56.100 -0.220 0.000 0.889 89 R CB 1.460 31.481 30.300 -0.465 0.000 1.123 89 R HN -0.064 nan 8.270 nan 0.000 0.455 90 P HA 0.199 nan 4.420 nan 0.000 0.284 90 P C -0.310 176.953 177.300 -0.061 0.000 1.292 90 P CA -0.670 62.441 63.100 0.019 0.000 0.800 90 P CB 0.862 32.669 31.700 0.177 0.000 1.188 91 L N 1.937 123.172 121.223 0.020 0.000 2.562 91 L HA 0.111 4.747 4.340 0.493 0.000 0.271 91 L C -1.570 175.288 176.870 -0.020 0.000 1.167 91 L CA -1.436 53.416 54.840 0.019 0.000 0.917 91 L CB -0.381 41.729 42.059 0.084 0.000 1.187 91 L HN 0.243 nan 8.230 nan 0.000 0.482 92 P HA 0.022 nan 4.420 nan 0.000 0.268 92 P C 0.720 178.019 177.300 -0.001 0.000 1.204 92 P CA 0.427 63.515 63.100 -0.019 0.000 0.768 92 P CB 1.137 32.855 31.700 0.029 0.000 0.842 93 G N 2.385 111.200 108.800 0.026 0.000 2.148 93 G HA2 -0.246 4.009 3.960 0.493 0.000 0.254 93 G HA3 -0.246 4.009 3.960 0.493 0.000 0.254 93 G C 0.095 174.996 174.900 0.003 0.000 0.981 93 G CA -0.089 45.022 45.100 0.018 0.000 0.670 93 G HN 0.661 nan 8.290 nan 0.000 0.528 94 R N -1.020 119.485 120.500 0.008 0.000 2.698 94 R HA 0.591 5.227 4.340 0.493 0.000 0.275 94 R C -0.236 176.086 176.300 0.036 0.000 1.001 94 R CA -1.002 55.105 56.100 0.012 0.000 0.896 94 R CB 1.568 31.859 30.300 -0.016 0.000 1.218 94 R HN 0.121 nan 8.270 nan 0.000 0.462 95 L N 3.085 124.333 121.223 0.042 0.000 2.433 95 L HA 0.203 4.838 4.340 0.493 0.000 0.275 95 L C -0.648 176.238 176.870 0.026 0.000 1.128 95 L CA 0.177 55.039 54.840 0.036 0.000 0.875 95 L CB 0.248 42.320 42.059 0.020 0.000 1.171 95 L HN 0.637 nan 8.230 nan 0.000 0.463 96 N N 4.809 123.533 118.700 0.041 0.000 2.406 96 N HA 0.167 5.203 4.740 0.493 0.000 0.251 96 N C -0.855 174.634 175.510 -0.035 0.000 1.069 96 N CA -0.396 52.694 53.050 0.067 0.000 0.947 96 N CB 1.799 40.410 38.487 0.205 0.000 1.111 96 N HN 0.319 nan 8.380 nan 0.000 0.497 97 V N 3.463 123.352 119.914 -0.043 0.000 2.347 97 V HA 0.286 4.701 4.120 0.493 0.000 0.280 97 V C 0.207 176.239 176.094 -0.103 0.000 1.021 97 V CA -0.657 61.575 62.300 -0.112 0.000 0.847 97 V CB 1.559 33.304 31.823 -0.130 0.000 0.990 97 V HN 0.282 nan 8.190 nan 0.000 0.444 98 V N 6.493 126.301 119.914 -0.177 0.000 2.448 98 V HA 0.472 4.888 4.120 0.493 0.000 0.295 98 V C -0.146 175.858 176.094 -0.149 0.000 1.025 98 V CA -0.625 61.571 62.300 -0.175 0.000 0.859 98 V CB 1.862 33.462 31.823 -0.371 0.000 0.988 98 V HN 0.651 nan 8.190 nan 0.000 0.431 99 L N 3.968 125.132 121.223 -0.100 0.000 2.265 99 L HA 0.750 5.386 4.340 0.493 0.000 0.288 99 L C 0.188 177.017 176.870 -0.069 0.000 1.058 99 L CA 0.240 55.029 54.840 -0.085 0.000 0.809 99 L CB 1.290 43.304 42.059 -0.075 0.000 1.179 99 L HN 0.715 nan 8.230 nan 0.000 0.429 100 S N 0.518 116.179 115.700 -0.066 0.000 2.542 100 S HA 0.297 5.062 4.470 0.493 0.000 0.276 100 S C 0.185 174.766 174.600 -0.032 0.000 1.148 100 S CA -0.257 57.917 58.200 -0.044 0.000 0.886 100 S CB 1.798 64.968 63.200 -0.050 0.000 1.109 100 S HN 0.665 nan 8.310 nan 0.000 0.458 101 S N 1.567 117.257 115.700 -0.016 0.000 2.557 101 S HA 0.170 4.935 4.470 0.493 0.000 0.223 101 S C 1.103 175.707 174.600 0.006 0.000 0.969 101 S CA 0.720 58.914 58.200 -0.009 0.000 0.927 101 S CB -0.114 63.081 63.200 -0.009 0.000 0.806 101 S HN 0.962 nan 8.310 nan 0.000 0.489 102 T N -1.058 113.507 114.554 0.017 0.000 3.177 102 T HA 0.414 5.060 4.350 0.493 0.000 0.262 102 T C 0.455 175.224 174.700 0.115 0.000 0.959 102 T CA -0.375 61.750 62.100 0.042 0.000 0.996 102 T CB -0.481 68.394 68.868 0.013 0.000 1.185 102 T HN 0.255 nan 8.240 nan 0.000 0.486 103 L N 2.121 123.401 121.223 0.095 0.000 2.452 103 L HA 0.526 5.162 4.340 0.493 0.000 0.267 103 L C 0.218 177.167 176.870 0.131 0.000 1.188 103 L CA -0.201 54.757 54.840 0.198 0.000 0.821 103 L CB 0.967 43.046 42.059 0.034 0.000 1.102 103 L HN 0.218 nan 8.230 nan 0.000 0.470 104 T N -0.393 114.195 114.554 0.058 0.000 2.916 104 T HA 0.159 4.805 4.350 0.493 0.000 0.292 104 T C 1.008 175.564 174.700 -0.241 0.000 1.055 104 T CA -0.473 61.452 62.100 -0.293 0.000 1.009 104 T CB 1.964 70.356 68.868 -0.795 0.000 1.118 104 T HN 0.689 nan 8.240 nan 0.000 0.497 105 T N 1.869 116.301 114.554 -0.204 0.000 2.721 105 T HA -0.163 4.483 4.350 0.493 0.000 0.268 105 T C 1.991 176.613 174.700 -0.130 0.000 1.038 105 T CA 1.412 63.416 62.100 -0.159 0.000 1.145 105 T CB -0.048 68.754 68.868 -0.111 0.000 0.858 105 T HN 0.368 nan 8.240 nan 0.000 0.459 106 Q N 0.075 119.782 119.800 -0.156 0.000 2.123 106 Q HA -0.034 4.602 4.340 0.493 0.000 0.199 106 Q C 2.076 178.082 176.000 0.010 0.000 0.966 106 Q CA 1.377 57.131 55.803 -0.082 0.000 0.845 106 Q CB -0.373 28.306 28.738 -0.098 0.000 0.907 106 Q HN 0.766 nan 8.270 nan 0.000 0.439 107 H N -0.421 118.628 119.070 -0.036 0.000 2.267 107 H HA -0.181 4.671 4.556 0.493 0.000 0.297 107 H C 1.992 177.316 175.328 -0.006 0.000 1.080 107 H CA 1.084 57.118 56.048 -0.022 0.000 1.278 107 H CB 0.187 29.927 29.762 -0.037 0.000 1.365 107 H HN 0.081 nan 8.280 nan 0.000 0.489 108 L N 0.135 121.390 121.223 0.053 0.000 2.013 108 L HA -0.210 4.425 4.340 0.493 0.000 0.212 108 L C 2.409 179.378 176.870 0.165 0.000 1.073 108 L CA 1.165 56.003 54.840 -0.003 0.000 0.753 108 L CB -0.904 40.858 42.059 -0.495 0.000 0.890 108 L HN 0.221 nan 8.230 nan 0.000 0.432 109 L N -0.379 120.895 121.223 0.086 0.000 1.990 109 L HA -0.279 4.357 4.340 0.493 0.000 0.213 109 L C 2.263 179.211 176.870 0.130 0.000 1.072 109 L CA 1.892 56.803 54.840 0.120 0.000 0.755 109 L CB -0.964 41.135 42.059 0.067 0.000 0.889 109 L HN 0.352 nan 8.230 nan 0.000 0.432 110 D N -0.864 119.602 120.400 0.110 0.000 2.221 110 D HA -0.149 4.787 4.640 0.493 0.000 0.204 110 D C 2.042 178.398 176.300 0.094 0.000 0.982 110 D CA 1.319 55.374 54.000 0.093 0.000 0.857 110 D CB -0.352 40.502 40.800 0.088 0.000 0.934 110 D HN 0.505 nan 8.370 nan 0.000 0.475 111 G N 0.542 109.421 108.800 0.131 0.000 2.498 111 G HA2 -0.096 4.160 3.960 0.493 0.000 0.219 111 G HA3 -0.096 4.160 3.960 0.493 0.000 0.219 111 G C 0.826 175.779 174.900 0.088 0.000 1.119 111 G CA 0.103 45.276 45.100 0.121 0.000 0.766 111 G HN 0.235 nan 8.290 nan 0.000 0.552 112 L N 0.747 122.033 121.223 0.106 0.000 2.305 112 L HA 0.266 4.902 4.340 0.493 0.000 0.281 112 L C -1.526 175.367 176.870 0.038 0.000 1.085 112 L CA -2.026 52.855 54.840 0.068 0.000 0.813 112 L CB 1.094 43.221 42.059 0.113 0.000 1.157 112 L HN -0.098 nan 8.230 nan 0.000 0.436 113 P HA -0.186 nan 4.420 nan 0.000 0.213 113 P C -0.488 176.815 177.300 0.005 0.000 1.090 113 P CA 0.580 63.675 63.100 -0.008 0.000 0.875 113 P CB -0.083 31.595 31.700 -0.037 0.000 0.553 114 D N 0.307 120.705 120.400 -0.003 0.000 2.601 114 D HA -0.137 4.799 4.640 0.493 0.000 0.229 114 D C 0.533 176.840 176.300 0.012 0.000 1.140 114 D CA 0.366 54.366 54.000 0.001 0.000 0.862 114 D CB 0.451 41.248 40.800 -0.006 0.000 1.192 114 D HN 0.244 nan 8.370 nan 0.000 0.480 115 E N 0.826 121.031 120.200 0.008 0.000 2.285 115 E HA -0.113 4.533 4.350 0.493 0.000 0.194 115 E C 1.742 178.343 176.600 0.002 0.000 0.997 115 E CA 0.622 57.029 56.400 0.011 0.000 0.845 115 E CB 0.065 29.770 29.700 0.008 0.000 0.782 115 E HN 0.556 nan 8.360 nan 0.000 0.491 116 E N 0.688 120.884 120.200 -0.006 0.000 2.097 116 E HA -0.272 4.374 4.350 0.493 0.000 0.196 116 E C 1.870 178.446 176.600 -0.041 0.000 1.000 116 E CA 1.621 58.008 56.400 -0.021 0.000 0.804 116 E CB -0.126 29.561 29.700 -0.021 0.000 0.740 116 E HN 0.317 nan 8.360 nan 0.000 0.454 117 K N 0.389 120.776 120.400 -0.022 0.000 2.323 117 K HA 0.061 4.677 4.320 0.493 0.000 0.197 117 K C 1.856 178.476 176.600 0.033 0.000 1.043 117 K CA 0.214 56.478 56.287 -0.037 0.000 0.997 117 K CB 0.085 32.631 32.500 0.075 0.000 0.807 117 K HN -0.111 nan 8.250 nan 0.000 0.497 118 R N 0.503 121.033 120.500 0.051 0.000 2.293 118 R HA 0.051 4.687 4.340 0.493 0.000 0.219 118 R C 1.288 177.620 176.300 0.054 0.000 1.091 118 R CA 0.959 57.102 56.100 0.073 0.000 1.004 118 R CB -0.125 30.208 30.300 0.054 0.000 0.865 118 R HN 0.345 nan 8.270 nan 0.000 0.469 119 N N -0.425 118.283 118.700 0.015 0.000 2.460 119 N HA -0.015 5.021 4.740 0.493 0.000 0.193 119 N C 1.211 176.706 175.510 -0.025 0.000 1.080 119 N CA 0.208 53.260 53.050 0.003 0.000 0.869 119 N CB 0.342 38.825 38.487 -0.007 0.000 1.201 119 N HN 0.064 nan 8.380 nan 0.000 0.457 120 L N 0.918 122.080 121.223 -0.101 0.000 2.551 120 L HA 0.026 4.662 4.340 0.493 0.000 0.228 120 L C 0.678 177.399 176.870 -0.248 0.000 1.153 120 L CA 1.501 56.220 54.840 -0.203 0.000 0.851 120 L CB -0.225 41.640 42.059 -0.324 0.000 0.959 120 L HN 0.147 nan 8.230 nan 0.000 0.451 121 H N -1.760 117.337 119.070 0.045 0.000 2.785 121 H HA 0.421 5.273 4.556 0.493 0.000 0.268 121 H C 1.851 177.212 175.328 0.056 0.000 1.153 121 H CA 0.378 56.461 56.048 0.059 0.000 1.111 121 H CB 0.337 30.147 29.762 0.081 0.000 1.633 121 H HN 0.313 nan 8.280 nan 0.000 0.576 122 A N 0.471 123.372 122.820 0.135 0.000 2.015 122 A HA -0.137 4.478 4.320 0.493 0.000 0.219 122 A C 1.588 179.222 177.584 0.082 0.000 1.163 122 A CA 1.718 53.807 52.037 0.087 0.000 0.646 122 A CB -0.076 18.955 19.000 0.051 0.000 0.806 122 A HN 0.244 nan 8.150 nan 0.000 0.448 123 D N -0.631 119.828 120.400 0.098 0.000 2.249 123 D HA 0.008 4.943 4.640 0.493 0.000 0.205 123 D C 1.493 177.860 176.300 0.112 0.000 0.962 123 D CA 1.180 55.237 54.000 0.095 0.000 0.860 123 D CB 0.042 40.893 40.800 0.085 0.000 0.955 123 D HN 0.339 nan 8.370 nan 0.000 0.505 124 S N -0.148 115.635 115.700 0.138 0.000 2.597 124 S HA 0.271 5.037 4.470 0.493 0.000 0.224 124 S C 0.444 175.086 174.600 0.070 0.000 0.955 124 S CA -0.110 58.157 58.200 0.111 0.000 0.933 124 S CB 0.325 63.603 63.200 0.130 0.000 0.788 124 S HN 0.169 nan 8.310 nan 0.000 0.488 125 I N 0.868 121.470 120.570 0.053 0.000 2.582 125 I HA 0.609 5.075 4.170 0.493 0.000 0.292 125 I C -1.085 174.997 176.117 -0.057 0.000 1.066 125 I CA -0.869 60.420 61.300 -0.019 0.000 1.053 125 I CB 2.335 40.324 38.000 -0.018 0.000 1.241 125 I HN -0.151 nan 8.210 nan 0.000 0.421 126 V N 4.555 124.393 119.914 -0.127 0.000 2.950 126 V HA 0.808 5.224 4.120 0.493 0.000 0.295 126 V C -1.300 174.685 176.094 -0.182 0.000 1.297 126 V CA -0.167 62.062 62.300 -0.118 0.000 0.962 126 V CB 2.046 33.832 31.823 -0.061 0.000 1.081 126 V HN 0.882 nan 8.190 nan 0.000 0.432 127 A N 5.135 127.854 122.820 -0.169 0.000 2.325 127 A HA 0.927 5.543 4.320 0.493 0.000 0.333 127 A C -1.082 176.426 177.584 -0.125 0.000 1.155 127 A CA -0.592 51.338 52.037 -0.179 0.000 0.814 127 A CB 1.918 20.805 19.000 -0.190 0.000 1.206 127 A HN 1.241 nan 8.150 nan 0.000 0.482 128 V N 2.299 122.142 119.914 -0.119 0.000 2.483 128 V HA 0.236 4.651 4.120 0.493 0.000 0.297 128 V C -0.245 175.804 176.094 -0.075 0.000 1.027 128 V CA -0.679 61.567 62.300 -0.089 0.000 0.855 128 V CB 1.670 33.437 31.823 -0.094 0.000 0.995 128 V HN 0.928 nan 8.190 nan 0.000 0.424 129 N N 4.108 122.773 118.700 -0.058 0.000 2.968 129 N HA 0.568 5.604 4.740 0.493 0.000 0.271 129 N C 0.074 175.561 175.510 -0.038 0.000 1.174 129 N CA 0.870 53.893 53.050 -0.044 0.000 1.096 129 N CB 0.308 38.774 38.487 -0.035 0.000 1.403 129 N HN 0.987 nan 8.380 nan 0.000 0.522 130 G N -0.593 108.181 108.800 -0.043 0.000 2.323 130 G HA2 0.412 4.667 3.960 0.493 0.000 0.291 130 G HA3 0.412 4.667 3.960 0.493 0.000 0.291 130 G C -0.469 174.402 174.900 -0.047 0.000 1.278 130 G CA -0.361 44.716 45.100 -0.038 0.000 0.860 130 G HN 0.509 nan 8.290 nan 0.000 0.504 131 G N -1.372 107.401 108.800 -0.046 0.000 2.532 131 G HA2 0.581 4.837 3.960 0.493 0.000 0.291 131 G HA3 0.581 4.837 3.960 0.493 0.000 0.291 131 G C 1.155 176.006 174.900 -0.081 0.000 1.349 131 G CA 0.258 45.325 45.100 -0.056 0.000 1.038 131 G HN 1.243 nan 8.290 nan 0.000 0.518 132 L N -0.243 120.920 121.223 -0.100 0.000 2.013 132 L HA -0.101 4.535 4.340 0.493 0.000 0.212 132 L C 2.594 179.373 176.870 -0.152 0.000 1.073 132 L CA 2.879 57.623 54.840 -0.159 0.000 0.753 132 L CB -0.649 41.295 42.059 -0.192 0.000 0.890 132 L HN 0.845 nan 8.230 nan 0.000 0.432 133 E N -1.188 118.955 120.200 -0.095 0.000 2.130 133 E HA -0.324 4.322 4.350 0.493 0.000 0.196 133 E C 2.043 178.610 176.600 -0.055 0.000 0.998 133 E CA 1.596 57.959 56.400 -0.061 0.000 0.806 133 E CB -0.023 29.665 29.700 -0.020 0.000 0.738 133 E HN 0.620 nan 8.360 nan 0.000 0.459 134 Q N 0.074 119.840 119.800 -0.056 0.000 2.123 134 Q HA 0.020 4.656 4.340 0.493 0.000 0.199 134 Q C 1.989 177.951 176.000 -0.065 0.000 0.966 134 Q CA 1.535 57.310 55.803 -0.047 0.000 0.845 134 Q CB -0.371 28.342 28.738 -0.042 0.000 0.907 134 Q HN 0.395 nan 8.270 nan 0.000 0.439 135 A N 0.401 123.162 122.820 -0.097 0.000 1.902 135 A HA -0.150 4.466 4.320 0.493 0.000 0.217 135 A C 1.996 179.504 177.584 -0.126 0.000 1.181 135 A CA 1.240 53.202 52.037 -0.125 0.000 0.623 135 A CB -0.706 18.201 19.000 -0.154 0.000 0.818 135 A HN 0.353 nan 8.150 nan 0.000 0.443 136 L N -1.524 119.622 121.223 -0.129 0.000 2.156 136 L HA -0.078 4.558 4.340 0.493 0.000 0.208 136 L C 2.735 179.581 176.870 -0.041 0.000 1.095 136 L CA 1.386 56.168 54.840 -0.097 0.000 0.770 136 L CB -0.424 41.574 42.059 -0.101 0.000 0.914 136 L HN 0.417 nan 8.230 nan 0.000 0.439 137 R N 0.185 120.667 120.500 -0.031 0.000 2.148 137 R HA -0.121 4.514 4.340 0.493 0.000 0.223 137 R C 2.242 178.553 176.300 0.018 0.000 1.088 137 R CA 0.793 56.892 56.100 -0.002 0.000 0.985 137 R CB 0.051 30.350 30.300 -0.002 0.000 0.880 137 R HN 0.265 nan 8.270 nan 0.000 0.451 138 L N 0.402 121.626 121.223 0.003 0.000 2.131 138 L HA -0.049 4.586 4.340 0.493 0.000 0.206 138 L C 1.395 178.328 176.870 0.106 0.000 1.087 138 L CA 1.272 56.138 54.840 0.043 0.000 0.767 138 L CB -0.348 41.702 42.059 -0.015 0.000 0.917 138 L HN 0.255 nan 8.230 nan 0.000 0.441 139 L N 0.285 121.506 121.223 -0.003 0.000 2.552 139 L HA 0.047 4.683 4.340 0.493 0.000 0.227 139 L C 2.448 179.401 176.870 0.137 0.000 1.146 139 L CA 1.162 56.015 54.840 0.023 0.000 0.858 139 L CB -1.560 40.451 42.059 -0.081 0.000 0.969 139 L HN 0.253 nan 8.230 nan 0.000 0.451 140 A N -1.042 121.835 122.820 0.094 0.000 2.218 140 A HA 0.059 4.675 4.320 0.493 0.000 0.209 140 A C 1.422 179.057 177.584 0.085 0.000 1.168 140 A CA 0.388 52.467 52.037 0.069 0.000 0.804 140 A CB -0.225 18.794 19.000 0.031 0.000 0.834 140 A HN 0.421 nan 8.150 nan 0.000 0.482 141 S N -0.166 115.609 115.700 0.124 0.000 2.593 141 S HA 0.271 5.037 4.470 0.493 0.000 0.269 141 S C -1.679 172.943 174.600 0.037 0.000 1.334 141 S CA -0.676 57.570 58.200 0.077 0.000 1.015 141 S CB 0.666 63.915 63.200 0.081 0.000 0.912 141 S HN 0.059 nan 8.310 nan 0.000 0.541 142 P HA -0.065 nan 4.420 nan 0.000 0.223 142 P C 0.893 178.144 177.300 -0.083 0.000 1.144 142 P CA 0.911 64.000 63.100 -0.018 0.000 0.783 142 P CB -0.053 31.641 31.700 -0.010 0.000 0.771 143 N N -1.805 116.777 118.700 -0.197 0.000 2.216 143 N HA -0.102 4.934 4.740 0.493 0.000 0.183 143 N C 1.240 176.474 175.510 -0.460 0.000 1.017 143 N CA 1.330 54.136 53.050 -0.407 0.000 0.861 143 N CB -0.312 37.755 38.487 -0.701 0.000 0.986 143 N HN 0.311 nan 8.380 nan 0.000 0.428 144 Y N 0.476 120.781 120.300 0.010 0.000 2.522 144 Y HA 0.240 5.085 4.550 0.492 0.000 0.277 144 Y C 0.872 176.780 175.900 0.013 0.000 1.104 144 Y CA 0.206 58.313 58.100 0.011 0.000 1.260 144 Y CB -0.100 38.364 38.460 0.007 0.000 1.151 144 Y HN -0.240 nan 8.280 nan 0.000 0.539 145 T N 4.263 118.897 114.554 0.133 0.000 2.767 145 T HA 0.202 4.848 4.350 0.493 0.000 0.284 145 T C -1.948 172.778 174.700 0.044 0.000 0.973 145 T CA -1.308 60.841 62.100 0.081 0.000 0.996 145 T CB 1.598 70.505 68.868 0.065 0.000 0.927 145 T HN 0.047 nan 8.240 nan 0.000 0.456 146 P HA 0.090 nan 4.420 nan 0.000 0.262 146 P C 1.400 178.733 177.300 0.055 0.000 1.304 146 P CA -0.010 63.114 63.100 0.042 0.000 0.859 146 P CB 0.149 31.861 31.700 0.020 0.000 1.310 147 S N 0.510 116.244 115.700 0.057 0.000 2.380 147 S HA -0.134 4.632 4.470 0.493 0.000 0.229 147 S C 1.228 175.879 174.600 0.085 0.000 1.043 147 S CA 0.785 59.023 58.200 0.064 0.000 1.038 147 S CB -1.185 62.049 63.200 0.057 0.000 0.872 147 S HN 0.048 nan 8.310 nan 0.000 0.456 148 I N 2.875 123.513 120.570 0.113 0.000 2.363 148 I HA 0.217 4.683 4.170 0.493 0.000 0.292 148 I C 1.567 177.735 176.117 0.084 0.000 1.075 148 I CA -0.115 61.249 61.300 0.107 0.000 1.333 148 I CB 0.486 38.557 38.000 0.119 0.000 1.415 148 I HN 0.456 nan 8.210 nan 0.000 0.502 149 E N 4.267 124.513 120.200 0.078 0.000 2.110 149 E HA -0.101 4.544 4.350 0.493 0.000 0.193 149 E C -0.250 176.395 176.600 0.075 0.000 0.988 149 E CA 1.055 57.498 56.400 0.072 0.000 0.804 149 E CB 0.469 30.209 29.700 0.067 0.000 0.745 149 E HN 0.685 nan 8.360 nan 0.000 0.458 150 T N -0.378 114.229 114.554 0.089 0.000 2.942 150 T HA 0.348 4.994 4.350 0.493 0.000 0.327 150 T C -1.337 173.397 174.700 0.056 0.000 1.360 150 T CA -0.755 61.376 62.100 0.051 0.000 1.055 150 T CB 2.117 71.017 68.868 0.053 0.000 1.261 150 T HN -0.152 nan 8.240 nan 0.000 0.485 151 V N 2.646 122.542 119.914 -0.031 0.000 2.435 151 V HA 0.500 4.916 4.120 0.493 0.000 0.290 151 V C -1.334 174.725 176.094 -0.058 0.000 1.030 151 V CA -0.714 61.611 62.300 0.041 0.000 0.881 151 V CB 0.959 32.839 31.823 0.096 0.000 0.983 151 V HN 0.861 nan 8.190 nan 0.000 0.445 152 Y N 2.798 123.190 120.300 0.153 0.000 2.447 152 Y HA 0.340 5.186 4.550 0.494 0.000 0.325 152 Y C 0.477 176.508 175.900 0.219 0.000 0.976 152 Y CA -0.470 57.751 58.100 0.202 0.000 1.280 152 Y CB 1.536 40.052 38.460 0.092 0.000 1.104 152 Y HN 0.713 nan 8.280 nan 0.000 0.486 153 C N 7.130 126.670 119.300 0.399 0.000 2.667 153 C HA 0.216 4.971 4.460 0.493 0.000 0.385 153 C C 1.591 176.779 174.990 0.331 0.000 1.299 153 C CA -0.461 58.714 59.018 0.262 0.000 1.554 153 C CB -2.192 25.720 27.740 0.287 0.000 2.275 153 C HN 0.910 nan 8.230 nan 0.000 0.588 154 I N 4.351 125.066 120.570 0.242 0.000 3.875 154 I HA 0.551 5.016 4.170 0.493 0.000 0.329 154 I C 0.785 176.944 176.117 0.070 0.000 1.295 154 I CA 0.548 62.022 61.300 0.290 0.000 1.129 154 I CB -0.529 37.703 38.000 0.387 0.000 1.008 154 I HN 0.810 nan 8.210 nan 0.000 0.413 155 G N -0.307 108.334 108.800 -0.265 0.000 2.345 155 G HA2 0.439 4.694 3.960 0.493 0.000 0.310 155 G HA3 0.439 4.694 3.960 0.493 0.000 0.310 155 G C -0.484 174.104 174.900 -0.521 0.000 1.476 155 G CA -0.179 44.584 45.100 -0.563 0.000 0.978 155 G HN 1.034 nan 8.290 nan 0.000 0.656 156 G N -1.521 107.016 108.800 -0.439 0.000 3.363 156 G HA2 0.471 4.727 3.960 0.493 0.000 0.685 156 G HA3 0.471 4.727 3.960 0.493 0.000 0.685 156 G C 1.105 175.907 174.900 -0.162 0.000 1.199 156 G CA 0.826 45.801 45.100 -0.208 0.000 0.946 156 G HN 2.198 nan 8.290 nan 0.000 0.558 157 G N 1.047 109.876 108.800 0.048 0.000 2.450 157 G HA2 0.033 4.289 3.960 0.493 0.000 0.220 157 G HA3 0.033 4.289 3.960 0.493 0.000 0.220 157 G C 2.273 177.243 174.900 0.117 0.000 1.130 157 G CA 2.194 47.402 45.100 0.181 0.000 0.760 157 G HN 2.086 nan 8.290 nan 0.000 0.557 158 S N 0.067 115.786 115.700 0.033 0.000 2.383 158 S HA -0.053 4.712 4.470 0.493 0.000 0.227 158 S C 2.247 176.850 174.600 0.004 0.000 1.026 158 S CA 1.369 59.581 58.200 0.019 0.000 0.981 158 S CB -0.309 62.889 63.200 -0.004 0.000 0.818 158 S HN 0.115 nan 8.310 nan 0.000 0.472 159 V N 0.354 120.235 119.914 -0.055 0.000 2.488 159 V HA -0.043 4.373 4.120 0.493 0.000 0.246 159 V C 2.305 178.411 176.094 0.019 0.000 1.046 159 V CA 1.310 63.561 62.300 -0.081 0.000 1.053 159 V CB -1.106 30.607 31.823 -0.183 0.000 0.679 159 V HN 0.405 nan 8.190 nan 0.000 0.458 160 Y N 1.102 121.459 120.300 0.095 0.000 2.181 160 Y HA -0.151 4.694 4.550 0.492 0.000 0.288 160 Y C 2.591 178.524 175.900 0.055 0.000 1.146 160 Y CA 0.949 59.135 58.100 0.143 0.000 1.164 160 Y CB -1.210 37.394 38.460 0.239 0.000 0.982 160 Y HN 0.193 nan 8.280 nan 0.000 0.515 161 A N -0.148 122.789 122.820 0.194 0.000 1.933 161 A HA -0.257 4.358 4.320 0.493 0.000 0.218 161 A C 2.211 179.832 177.584 0.062 0.000 1.175 161 A CA 1.938 54.025 52.037 0.084 0.000 0.628 161 A CB -0.712 18.329 19.000 0.070 0.000 0.814 161 A HN 0.517 nan 8.150 nan 0.000 0.444 162 E N -0.181 120.057 120.200 0.065 0.000 2.072 162 E HA -0.013 4.633 4.350 0.493 0.000 0.190 162 E C 2.004 178.651 176.600 0.077 0.000 0.982 162 E CA 1.040 57.467 56.400 0.045 0.000 0.803 162 E CB -0.297 29.408 29.700 0.009 0.000 0.755 162 E HN 0.492 nan 8.360 nan 0.000 0.453 163 A N 0.677 123.575 122.820 0.131 0.000 1.972 163 A HA -0.079 4.536 4.320 0.493 0.000 0.219 163 A C 2.003 179.723 177.584 0.227 0.000 1.169 163 A CA 0.882 53.084 52.037 0.275 0.000 0.635 163 A CB -0.438 18.824 19.000 0.437 0.000 0.810 163 A HN 0.348 nan 8.150 nan 0.000 0.446 164 L N -0.621 120.663 121.223 0.101 0.000 2.627 164 L HA 0.096 4.732 4.340 0.493 0.000 0.233 164 L C 0.908 177.790 176.870 0.020 0.000 1.144 164 L CA -0.009 54.832 54.840 0.003 0.000 0.892 164 L CB -0.313 41.665 42.059 -0.136 0.000 1.039 164 L HN 0.538 nan 8.230 nan 0.000 0.442 165 R N -1.728 118.796 120.500 0.039 0.000 2.867 165 R HA 0.647 5.282 4.340 0.493 0.000 0.268 165 R C -2.988 173.311 176.300 -0.002 0.000 1.014 165 R CA -2.059 54.050 56.100 0.015 0.000 0.946 165 R CB 0.347 30.659 30.300 0.019 0.000 1.208 165 R HN -0.323 nan 8.270 nan 0.000 0.477 166 P HA 0.126 nan 4.420 nan 0.000 0.272 166 P C -1.880 175.444 177.300 0.040 0.000 1.230 166 P CA -1.266 61.812 63.100 -0.036 0.000 0.788 166 P CB 0.551 32.252 31.700 0.002 0.000 0.949 167 P HA -0.000 nan 4.420 nan 0.000 0.235 167 P C 0.510 177.892 177.300 0.136 0.000 1.177 167 P CA 0.685 63.860 63.100 0.126 0.000 0.785 167 P CB -0.151 31.624 31.700 0.125 0.000 0.885 168 C N 0.319 119.695 119.300 0.126 0.000 2.419 168 C HA -0.082 4.674 4.460 0.493 0.000 0.281 168 C C 2.941 178.129 174.990 0.330 0.000 1.336 168 C CA 0.995 60.152 59.018 0.231 0.000 1.770 168 C CB -1.626 26.213 27.740 0.165 0.000 1.929 168 C HN 0.205 nan 8.230 nan 0.000 0.509 169 V N -0.565 119.447 119.914 0.164 0.000 2.295 169 V HA -0.248 4.167 4.120 0.493 0.000 0.246 169 V C 2.267 178.456 176.094 0.159 0.000 1.049 169 V CA 2.148 64.543 62.300 0.158 0.000 1.024 169 V CB -1.380 30.468 31.823 0.042 0.000 0.648 169 V HN 0.535 nan 8.190 nan 0.000 0.447 170 H N 0.085 119.270 119.070 0.192 0.000 2.554 170 H HA 0.043 4.896 4.556 0.496 0.000 0.290 170 H C 1.775 177.203 175.328 0.168 0.000 1.058 170 H CA 1.524 57.660 56.048 0.147 0.000 1.224 170 H CB -0.123 29.714 29.762 0.126 0.000 1.359 170 H HN 0.431 nan 8.280 nan 0.000 0.589 171 L N -0.028 121.360 121.223 0.275 0.000 2.766 171 L HA 0.100 4.736 4.340 0.493 0.000 0.242 171 L C 0.230 177.089 176.870 -0.018 0.000 1.136 171 L CA -0.240 54.727 54.840 0.213 0.000 0.933 171 L CB 0.631 42.850 42.059 0.268 0.000 1.241 171 L HN -0.011 nan 8.230 nan 0.000 0.522 172 L N 0.963 122.109 121.223 -0.129 0.000 2.407 172 L HA 0.089 4.724 4.340 0.493 0.000 0.282 172 L C 1.272 178.101 176.870 -0.068 0.000 1.110 172 L CA 0.632 55.206 54.840 -0.443 0.000 0.863 172 L CB 0.364 42.331 42.059 -0.154 0.000 1.207 172 L HN 0.142 nan 8.230 nan 0.000 0.454 173 Q N 4.283 123.992 119.800 -0.152 0.000 2.311 173 Q HA 0.314 4.949 4.340 0.493 0.000 0.203 173 Q C 0.314 176.331 176.000 0.029 0.000 0.954 173 Q CA 0.906 56.705 55.803 -0.008 0.000 0.885 173 Q CB 0.104 28.841 28.738 -0.001 0.000 0.963 173 Q HN 0.771 nan 8.270 nan 0.000 0.471 174 A N -0.318 122.498 122.820 -0.007 0.000 2.549 174 A HA 0.621 5.237 4.320 0.493 0.000 0.291 174 A C -1.666 175.806 177.584 -0.187 0.000 1.034 174 A CA -0.733 51.271 52.037 -0.056 0.000 0.655 174 A CB 0.553 19.422 19.000 -0.220 0.000 1.299 174 A HN 0.085 nan 8.150 nan 0.000 0.427 175 I N 0.915 121.312 120.570 -0.288 0.000 2.512 175 I HA 0.385 4.851 4.170 0.493 0.000 0.287 175 I C -1.607 174.351 176.117 -0.265 0.000 1.069 175 I CA -0.306 60.867 61.300 -0.211 0.000 1.056 175 I CB 1.799 39.690 38.000 -0.181 0.000 1.229 175 I HN 0.621 nan 8.210 nan 0.000 0.429 176 Y N 5.397 125.788 120.300 0.152 0.000 2.335 176 Y HA 0.572 5.417 4.550 0.493 0.000 0.339 176 Y C 0.251 176.201 175.900 0.084 0.000 0.987 176 Y CA -0.562 57.663 58.100 0.208 0.000 1.140 176 Y CB 1.198 39.911 38.460 0.422 0.000 1.173 176 Y HN 0.429 nan 8.280 nan 0.000 0.486 177 R N 1.906 122.470 120.500 0.107 0.000 2.502 177 R HA 0.518 5.154 4.340 0.493 0.000 0.300 177 R C -1.433 174.780 176.300 -0.144 0.000 0.984 177 R CA -0.423 55.615 56.100 -0.104 0.000 0.882 177 R CB 1.119 31.281 30.300 -0.230 0.000 1.180 177 R HN 0.678 nan 8.270 nan 0.000 0.444 178 T N 3.047 117.474 114.554 -0.212 0.000 2.795 178 T HA 0.334 4.980 4.350 0.493 0.000 0.282 178 T C -0.526 173.877 174.700 -0.496 0.000 0.980 178 T CA -0.315 61.538 62.100 -0.413 0.000 1.012 178 T CB 1.636 70.299 68.868 -0.341 0.000 0.936 178 T HN 0.487 nan 8.240 nan 0.000 0.457 179 T N 4.367 118.467 114.554 -0.757 0.000 2.797 179 T HA 0.551 5.197 4.350 0.493 0.000 0.279 179 T C -0.190 174.159 174.700 -0.585 0.000 0.991 179 T CA -0.726 60.944 62.100 -0.716 0.000 0.979 179 T CB 0.712 68.983 68.868 -0.995 0.000 0.943 179 T HN 0.315 nan 8.240 nan 0.000 0.444 180 I N 2.270 122.533 120.570 -0.511 0.000 2.607 180 I HA 0.411 4.877 4.170 0.493 0.000 0.305 180 I C 0.592 176.479 176.117 -0.384 0.000 0.995 180 I CA -1.083 59.942 61.300 -0.458 0.000 1.148 180 I CB 1.528 39.096 38.000 -0.720 0.000 1.323 180 I HN 0.400 nan 8.210 nan 0.000 0.461 181 R N 3.556 123.916 120.500 -0.233 0.000 2.308 181 R HA 0.402 5.038 4.340 0.493 0.000 0.325 181 R C -0.336 175.843 176.300 -0.200 0.000 1.161 181 R CA -0.316 55.689 56.100 -0.158 0.000 1.022 181 R CB 0.552 30.811 30.300 -0.068 0.000 1.091 181 R HN 0.688 nan 8.270 nan 0.000 0.497 182 A N 2.139 124.801 122.820 -0.263 0.000 2.354 182 A HA 0.173 4.788 4.320 0.493 0.000 0.281 182 A C 0.973 178.553 177.584 -0.006 0.000 1.174 182 A CA -0.212 51.691 52.037 -0.224 0.000 0.828 182 A CB 0.590 19.378 19.000 -0.352 0.000 1.099 182 A HN 0.697 nan 8.150 nan 0.000 0.516 183 S N 0.944 116.678 115.700 0.056 0.000 2.470 183 S HA -0.008 4.757 4.470 0.493 0.000 0.225 183 S C 0.598 175.267 174.600 0.115 0.000 1.006 183 S CA 0.903 59.148 58.200 0.075 0.000 0.934 183 S CB -0.042 63.199 63.200 0.067 0.000 0.778 183 S HN 0.884 nan 8.310 nan 0.000 0.517 184 E N 0.670 120.987 120.200 0.195 0.000 2.145 184 E HA 0.472 5.117 4.350 0.493 0.000 0.270 184 E C -0.797 175.983 176.600 0.300 0.000 0.906 184 E CA -0.450 56.078 56.400 0.213 0.000 0.761 184 E CB 1.507 31.329 29.700 0.203 0.000 1.116 184 E HN -0.116 nan 8.360 nan 0.000 0.408 185 S N 1.782 117.596 115.700 0.190 0.000 2.605 185 S HA 0.010 4.776 4.470 0.493 0.000 0.217 185 S C 0.322 175.008 174.600 0.143 0.000 0.958 185 S CA -0.392 57.920 58.200 0.186 0.000 0.919 185 S CB 0.152 63.401 63.200 0.082 0.000 0.780 185 S HN 0.457 nan 8.310 nan 0.000 0.507 186 S N 2.328 118.091 115.700 0.106 0.000 3.232 186 S HA 0.162 4.928 4.470 0.493 0.000 0.298 186 S C 0.257 174.832 174.600 -0.040 0.000 1.159 186 S CA -0.194 58.013 58.200 0.011 0.000 1.240 186 S CB -0.963 62.215 63.200 -0.036 0.000 1.584 186 S HN 0.475 nan 8.310 nan 0.000 0.558 187 C N 0.540 119.828 119.300 -0.020 0.000 3.299 187 C HA 0.796 5.552 4.460 0.493 0.000 0.366 187 C C 1.284 176.196 174.990 -0.131 0.000 3.078 187 C CA -0.153 58.809 59.018 -0.094 0.000 1.335 187 C CB 1.277 28.977 27.740 -0.067 0.000 3.510 187 C HN 0.705 nan 8.230 nan 0.000 0.476 188 S N -1.924 113.604 115.700 -0.288 0.000 1.962 188 S HA 0.054 4.820 4.470 0.493 0.000 0.193 188 S C -0.739 173.642 174.600 -0.365 0.000 0.756 188 S CA 0.059 58.129 58.200 -0.217 0.000 1.439 188 S CB -0.328 62.827 63.200 -0.075 0.000 0.887 188 S HN 0.525 nan 8.310 nan 0.000 0.347 189 V N 3.806 123.473 119.914 -0.411 0.000 2.394 189 V HA 0.644 5.060 4.120 0.493 0.000 0.282 189 V C -1.229 174.599 176.094 -0.443 0.000 1.031 189 V CA -0.338 61.815 62.300 -0.246 0.000 0.881 189 V CB 0.825 32.623 31.823 -0.040 0.000 0.982 189 V HN 0.398 nan 8.190 nan 0.000 0.451 190 F N 4.324 124.338 119.950 0.107 0.000 2.443 190 F HA 0.505 5.328 4.527 0.492 0.000 0.335 190 F C -0.181 175.690 175.800 0.117 0.000 1.104 190 F CA -0.836 57.236 58.000 0.121 0.000 1.013 190 F CB 1.207 40.262 39.000 0.092 0.000 1.136 190 F HN 0.403 nan 8.300 nan 0.000 0.470 191 F N 3.587 123.606 119.950 0.114 0.000 2.427 191 F HA 0.637 5.459 4.527 0.493 0.000 0.352 191 F C -0.165 175.647 175.800 0.020 0.000 1.100 191 F CA -0.318 57.678 58.000 -0.006 0.000 1.191 191 F CB 0.586 39.503 39.000 -0.138 0.000 1.128 191 F HN 0.429 nan 8.300 nan 0.000 0.533 192 R N 4.296 124.463 120.500 -0.554 0.000 2.512 192 R HA 0.450 5.085 4.340 0.493 0.000 0.291 192 R C -1.941 174.071 176.300 -0.480 0.000 1.097 192 R CA -0.570 55.337 56.100 -0.322 0.000 0.940 192 R CB 1.591 31.817 30.300 -0.124 0.000 1.198 192 R HN 0.494 nan 8.270 nan 0.000 0.429 193 V N 6.579 126.297 119.914 -0.326 0.000 2.427 193 V HA 0.291 4.706 4.120 0.493 0.000 0.268 193 V C -1.763 174.252 176.094 -0.132 0.000 1.046 193 V CA -1.466 60.640 62.300 -0.323 0.000 0.970 193 V CB 0.913 32.605 31.823 -0.218 0.000 1.001 193 V HN 0.736 nan 8.190 nan 0.000 0.476 194 P HA 0.001 nan 4.420 nan 0.000 0.264 194 P C -0.054 177.318 177.300 0.120 0.000 1.179 194 P CA 0.206 63.334 63.100 0.047 0.000 0.763 194 P CB 0.510 32.281 31.700 0.118 0.000 0.806 195 E N 1.772 122.021 120.200 0.081 0.000 2.343 195 E HA 0.157 4.803 4.350 0.493 0.000 0.269 195 E C -0.165 176.491 176.600 0.093 0.000 1.047 195 E CA -0.528 55.923 56.400 0.085 0.000 0.874 195 E CB 0.527 30.256 29.700 0.050 0.000 1.033 195 E HN 0.313 nan 8.360 nan 0.000 0.409 196 S N 2.299 118.052 115.700 0.088 0.000 2.563 196 S HA 0.214 4.979 4.470 0.493 0.000 0.294 196 S C 1.040 175.664 174.600 0.040 0.000 1.279 196 S CA 1.068 59.304 58.200 0.061 0.000 1.069 196 S CB -0.046 63.180 63.200 0.044 0.000 0.828 196 S HN 0.868 nan 8.310 nan 0.000 0.497 197 G N 3.089 111.907 108.800 0.031 0.000 2.234 197 G HA2 -0.281 3.974 3.960 0.493 0.000 0.260 197 G HA3 -0.281 3.974 3.960 0.493 0.000 0.260 197 G C 0.314 175.231 174.900 0.028 0.000 0.987 197 G CA 0.647 45.761 45.100 0.023 0.000 0.625 197 G HN 1.437 nan 8.290 nan 0.000 0.532 198 T N -1.467 113.109 114.554 0.037 0.000 2.904 198 T HA 0.606 5.252 4.350 0.493 0.000 0.290 198 T C 1.198 175.922 174.700 0.041 0.000 1.018 198 T CA 0.486 62.607 62.100 0.035 0.000 1.075 198 T CB 1.717 70.607 68.868 0.036 0.000 0.986 198 T HN 0.338 nan 8.240 nan 0.000 0.523 199 E N 1.416 121.637 120.200 0.036 0.000 2.097 199 E HA -0.208 4.438 4.350 0.493 0.000 0.196 199 E C 2.440 179.069 176.600 0.048 0.000 1.000 199 E CA 1.283 57.707 56.400 0.040 0.000 0.804 199 E CB -0.502 29.218 29.700 0.033 0.000 0.740 199 E HN 0.857 nan 8.360 nan 0.000 0.454 200 A N 1.447 124.292 122.820 0.043 0.000 2.032 200 A HA -0.145 4.471 4.320 0.493 0.000 0.221 200 A C 2.334 179.957 177.584 0.066 0.000 1.165 200 A CA 1.661 53.724 52.037 0.044 0.000 0.645 200 A CB -0.511 18.507 19.000 0.031 0.000 0.807 200 A HN 0.300 nan 8.150 nan 0.000 0.453 201 A N -1.392 121.479 122.820 0.084 0.000 2.167 201 A HA 0.445 5.060 4.320 0.493 0.000 0.214 201 A C 1.519 179.166 177.584 0.106 0.000 1.151 201 A CA 1.154 53.266 52.037 0.126 0.000 0.735 201 A CB -0.947 18.126 19.000 0.123 0.000 0.802 201 A HN 2.026 nan 8.150 nan 0.000 0.467 202 A N -1.821 121.053 122.820 0.091 0.000 2.511 202 A HA 0.143 4.759 4.320 0.493 0.000 0.297 202 A C 1.941 179.614 177.584 0.147 0.000 1.476 202 A CA 1.345 53.458 52.037 0.126 0.000 0.757 202 A CB -2.003 17.076 19.000 0.132 0.000 1.072 202 A HN 2.495 nan 8.150 nan 0.000 0.413 203 G N -2.070 106.777 108.800 0.078 0.000 2.220 203 G HA2 -0.302 3.954 3.960 0.493 0.000 0.269 203 G HA3 -0.302 3.954 3.960 0.493 0.000 0.269 203 G C 0.278 175.172 174.900 -0.009 0.000 0.977 203 G CA 0.669 45.792 45.100 0.039 0.000 0.634 203 G HN 1.480 nan 8.290 nan 0.000 0.539 204 I N 1.016 121.571 120.570 -0.025 0.000 2.428 204 I HA 0.358 4.824 4.170 0.493 0.000 0.289 204 I C 0.150 176.119 176.117 -0.247 0.000 1.019 204 I CA -0.320 60.857 61.300 -0.206 0.000 1.351 204 I CB 1.189 38.994 38.000 -0.325 0.000 1.412 204 I HN 0.107 nan 8.210 nan 0.000 0.513 205 E N 5.664 125.672 120.200 -0.321 0.000 2.149 205 E HA 0.207 4.853 4.350 0.493 0.000 0.255 205 E C -1.594 174.857 176.600 -0.249 0.000 0.888 205 E CA -0.534 55.755 56.400 -0.184 0.000 0.742 205 E CB 0.873 30.511 29.700 -0.104 0.000 1.164 205 E HN 0.374 nan 8.360 nan 0.000 0.422 206 W N 3.352 124.656 121.300 0.006 0.000 2.266 206 W HA 0.115 5.072 4.660 0.496 0.000 0.317 206 W C 0.644 177.168 176.519 0.008 0.000 1.310 206 W CA -0.218 57.130 57.345 0.005 0.000 1.207 206 W CB 0.638 30.103 29.460 0.009 0.000 1.199 206 W HN 0.406 nan 8.180 nan 0.000 0.544 207 Q N 2.043 121.978 119.800 0.225 0.000 2.451 207 Q HA 0.626 5.261 4.340 0.493 0.000 0.281 207 Q C -0.766 175.321 176.000 0.145 0.000 1.099 207 Q CA -1.404 54.484 55.803 0.141 0.000 0.806 207 Q CB 1.873 30.651 28.738 0.066 0.000 1.419 207 Q HN 0.439 nan 8.270 nan 0.000 0.427 208 R N 0.831 121.397 120.500 0.110 0.000 2.340 208 R HA 0.060 4.695 4.340 0.493 0.000 0.300 208 R C 0.552 176.904 176.300 0.088 0.000 1.069 208 R CA 0.083 56.242 56.100 0.098 0.000 0.984 208 R CB 0.871 31.221 30.300 0.084 0.000 1.003 208 R HN 0.843 nan 8.270 nan 0.000 0.459 209 E N 1.438 121.692 120.200 0.091 0.000 2.127 209 E HA -0.032 4.614 4.350 0.493 0.000 0.191 209 E C -0.256 176.404 176.600 0.100 0.000 0.964 209 E CA 0.790 57.251 56.400 0.102 0.000 0.832 209 E CB 0.598 30.361 29.700 0.105 0.000 0.790 209 E HN 0.653 nan 8.360 nan 0.000 0.465 210 T N -1.139 113.473 114.554 0.097 0.000 2.912 210 T HA 0.609 5.255 4.350 0.493 0.000 0.299 210 T C -0.653 174.111 174.700 0.107 0.000 1.052 210 T CA -0.863 61.296 62.100 0.097 0.000 0.996 210 T CB 1.884 70.814 68.868 0.104 0.000 1.070 210 T HN 0.132 nan 8.240 nan 0.000 0.465 211 I N 2.555 123.182 120.570 0.096 0.000 2.586 211 I HA 0.493 4.958 4.170 0.493 0.000 0.288 211 I C 0.033 176.205 176.117 0.092 0.000 1.147 211 I CA -0.465 60.903 61.300 0.113 0.000 1.047 211 I CB 1.977 40.021 38.000 0.073 0.000 1.244 211 I HN 1.063 nan 8.210 nan 0.000 0.429 212 S N 4.858 120.645 115.700 0.144 0.000 2.634 212 S HA 0.442 5.208 4.470 0.493 0.000 0.261 212 S C 0.067 174.683 174.600 0.027 0.000 1.271 212 S CA -0.561 57.705 58.200 0.110 0.000 0.985 212 S CB 1.109 64.444 63.200 0.224 0.000 0.968 212 S HN 0.720 nan 8.310 nan 0.000 0.568 213 E N 0.197 120.393 120.200 -0.007 0.000 2.351 213 E HA 0.164 4.810 4.350 0.493 0.000 0.255 213 E C -0.210 176.328 176.600 -0.103 0.000 1.188 213 E CA -0.442 55.920 56.400 -0.064 0.000 0.940 213 E CB 0.456 30.125 29.700 -0.051 0.000 1.094 213 E HN 0.761 nan 8.360 nan 0.000 0.474 214 E N 1.531 121.649 120.200 -0.138 0.000 2.265 214 E HA 0.069 4.714 4.350 0.493 0.000 0.272 214 E C -1.142 175.327 176.600 -0.218 0.000 1.067 214 E CA -0.404 55.894 56.400 -0.170 0.000 0.900 214 E CB 0.281 29.898 29.700 -0.138 0.000 1.017 214 E HN 0.110 nan 8.360 nan 0.000 0.431 215 L N 3.769 124.730 121.223 -0.437 0.000 2.352 215 L HA 0.445 5.081 4.340 0.493 0.000 0.269 215 L C 0.053 176.710 176.870 -0.355 0.000 1.034 215 L CA -0.462 54.085 54.840 -0.487 0.000 0.806 215 L CB 2.027 43.605 42.059 -0.802 0.000 1.244 215 L HN 0.528 nan 8.230 nan 0.000 0.447 216 T N 0.023 114.555 114.554 -0.038 0.000 2.809 216 T HA 0.428 5.074 4.350 0.493 0.000 0.284 216 T C -0.218 174.640 174.700 0.264 0.000 0.992 216 T CA -0.779 61.396 62.100 0.125 0.000 0.957 216 T CB 1.256 70.156 68.868 0.053 0.000 0.942 216 T HN 0.654 nan 8.240 nan 0.000 0.439 217 S N 1.777 117.661 115.700 0.308 0.000 2.564 217 S HA 0.466 5.232 4.470 0.493 0.000 0.278 217 S C 0.975 175.627 174.600 0.087 0.000 1.333 217 S CA -0.768 57.531 58.200 0.166 0.000 1.048 217 S CB 0.910 64.110 63.200 -0.000 0.000 0.900 217 S HN 0.840 nan 8.310 nan 0.000 0.505 218 A N 1.918 124.778 122.820 0.066 0.000 2.648 218 A HA 0.203 4.818 4.320 0.493 0.000 0.269 218 A C 1.237 178.835 177.584 0.024 0.000 1.392 218 A CA -0.168 51.895 52.037 0.044 0.000 1.019 218 A CB -1.562 17.464 19.000 0.043 0.000 1.009 218 A HN 1.010 nan 8.150 nan 0.000 0.565 219 N N -1.310 117.400 118.700 0.017 0.000 2.270 219 N HA 0.284 5.320 4.740 0.493 0.000 0.198 219 N C 1.048 176.564 175.510 0.010 0.000 1.117 219 N CA 0.505 53.558 53.050 0.005 0.000 0.845 219 N CB 0.168 38.649 38.487 -0.010 0.000 0.980 219 N HN 0.422 nan 8.380 nan 0.000 0.486 220 G N 0.997 109.807 108.800 0.016 0.000 2.179 220 G HA2 -0.281 3.975 3.960 0.493 0.000 0.260 220 G HA3 -0.281 3.975 3.960 0.493 0.000 0.260 220 G C 0.443 175.353 174.900 0.017 0.000 0.977 220 G CA 0.280 45.390 45.100 0.016 0.000 0.641 220 G HN 0.503 nan 8.290 nan 0.000 0.533 221 N N 0.696 119.407 118.700 0.019 0.000 2.184 221 N HA 0.165 5.201 4.740 0.493 0.000 0.206 221 N C 0.700 176.224 175.510 0.023 0.000 1.151 221 N CA 0.560 53.622 53.050 0.021 0.000 0.878 221 N CB 0.250 38.751 38.487 0.023 0.000 1.014 221 N HN 0.465 nan 8.380 nan 0.000 0.512 222 E N -0.235 119.982 120.200 0.029 0.000 3.170 222 E HA -0.141 4.505 4.350 0.493 0.000 0.284 222 E C -0.708 175.919 176.600 0.045 0.000 0.967 222 E CA 0.594 57.015 56.400 0.035 0.000 0.919 222 E CB -2.457 27.257 29.700 0.024 0.000 1.469 222 E HN 0.227 nan 8.360 nan 0.000 0.444 223 T N 2.693 117.273 114.554 0.044 0.000 2.704 223 T HA -0.027 4.619 4.350 0.493 0.000 0.271 223 T C 0.628 175.400 174.700 0.120 0.000 1.000 223 T CA 0.428 62.554 62.100 0.045 0.000 1.216 223 T CB 0.389 69.259 68.868 0.003 0.000 0.961 223 T HN -0.040 nan 8.240 nan 0.000 0.515 224 K N 3.576 124.018 120.400 0.070 0.000 2.218 224 K HA 0.415 5.031 4.320 0.493 0.000 0.276 224 K C -0.093 176.573 176.600 0.110 0.000 1.022 224 K CA -0.345 55.980 56.287 0.064 0.000 0.946 224 K CB 0.817 33.321 32.500 0.006 0.000 1.000 224 K HN 0.821 nan 8.250 nan 0.000 0.468 225 Y N -0.454 119.790 120.300 -0.094 0.000 2.713 225 Y HA 0.616 5.462 4.550 0.493 0.000 0.335 225 Y C -1.446 174.370 175.900 -0.140 0.000 1.222 225 Y CA -1.629 56.346 58.100 -0.208 0.000 1.061 225 Y CB 1.104 39.360 38.460 -0.341 0.000 1.314 225 Y HN 0.604 nan 8.280 nan 0.000 0.453 226 Y N -0.687 119.370 120.300 -0.404 0.000 2.624 226 Y HA 0.802 5.648 4.550 0.493 0.000 0.334 226 Y C -2.230 173.368 175.900 -0.504 0.000 1.155 226 Y CA -2.299 55.520 58.100 -0.469 0.000 1.046 226 Y CB 1.067 39.369 38.460 -0.264 0.000 1.316 226 Y HN 0.593 nan 8.280 nan 0.000 0.457 227 F N 0.880 120.831 119.950 0.002 0.000 2.450 227 F HA 0.726 5.548 4.527 0.493 0.000 0.328 227 F C -0.106 175.712 175.800 0.030 0.000 1.068 227 F CA -0.747 57.193 58.000 -0.101 0.000 1.007 227 F CB 1.864 40.731 39.000 -0.222 0.000 1.251 227 F HN 0.542 nan 8.300 nan 0.000 0.492 228 E N 0.488 120.815 120.200 0.212 0.000 2.352 228 E HA 0.268 4.914 4.350 0.493 0.000 0.280 228 E C -1.447 175.242 176.600 0.149 0.000 0.930 228 E CA -1.076 55.423 56.400 0.165 0.000 0.765 228 E CB 2.638 32.411 29.700 0.121 0.000 1.219 228 E HN 0.349 nan 8.360 nan 0.000 0.434 229 K N 3.801 124.264 120.400 0.106 0.000 2.616 229 K HA 0.331 4.947 4.320 0.493 0.000 0.241 229 K C -1.593 175.013 176.600 0.010 0.000 0.961 229 K CA -0.521 55.773 56.287 0.012 0.000 0.942 229 K CB 0.559 33.097 32.500 0.063 0.000 1.153 229 K HN 0.329 nan 8.250 nan 0.000 0.452 230 L N 5.507 126.728 121.223 -0.004 0.000 2.322 230 L HA 0.598 5.234 4.340 0.493 0.000 0.279 230 L C 0.127 177.119 176.870 0.204 0.000 1.036 230 L CA -0.589 54.323 54.840 0.120 0.000 0.807 230 L CB 1.266 43.413 42.059 0.147 0.000 1.226 230 L HN 0.489 nan 8.230 nan 0.000 0.433 231 I N -0.871 119.869 120.570 0.283 0.000 2.934 231 I HA 0.695 5.161 4.170 0.493 0.000 0.306 231 I C -2.736 173.404 176.117 0.038 0.000 1.110 231 I CA -2.652 58.785 61.300 0.228 0.000 1.019 231 I CB 2.326 40.367 38.000 0.069 0.000 1.227 231 I HN 0.283 nan 8.210 nan 0.000 0.434 232 P HA 0.231 nan 4.420 nan 0.000 0.282 232 P C -0.987 176.114 177.300 -0.331 0.000 1.262 232 P CA -0.356 62.336 63.100 -0.680 0.000 0.773 232 P CB 0.667 31.964 31.700 -0.671 0.000 0.879 233 R N 3.531 123.856 120.500 -0.291 0.000 2.484 233 R HA 0.035 4.671 4.340 0.493 0.000 0.293 233 R C -0.004 176.190 176.300 -0.177 0.000 1.023 233 R CA 0.151 56.146 56.100 -0.174 0.000 1.037 233 R CB -0.101 30.119 30.300 -0.133 0.000 0.951 233 R HN 0.327 nan 8.270 nan 0.000 0.418 234 N N 4.080 122.682 118.700 -0.163 0.000 2.949 234 N HA 0.088 5.123 4.740 0.493 0.000 0.243 234 N C 0.281 175.708 175.510 -0.138 0.000 1.113 234 N CA -0.337 52.592 53.050 -0.201 0.000 0.980 234 N CB 0.583 38.871 38.487 -0.331 0.000 1.256 234 N HN 0.540 nan 8.380 nan 0.000 0.508 235 R N 1.466 121.907 120.500 -0.098 0.000 2.120 235 R HA -0.090 4.546 4.340 0.493 0.000 0.234 235 R C 0.992 177.265 176.300 -0.045 0.000 1.123 235 R CA 1.017 57.077 56.100 -0.066 0.000 0.975 235 R CB 0.028 30.290 30.300 -0.064 0.000 0.866 235 R HN 0.641 nan 8.270 nan 0.000 0.446 236 E N 0.610 120.794 120.200 -0.027 0.000 2.085 236 E HA -0.225 4.420 4.350 0.493 0.000 0.194 236 E C 1.855 178.559 176.600 0.174 0.000 0.994 236 E CA 1.183 57.603 56.400 0.034 0.000 0.801 236 E CB -0.063 29.784 29.700 0.246 0.000 0.743 236 E HN 0.439 nan 8.360 nan 0.000 0.453 237 E N 0.745 121.022 120.200 0.130 0.000 2.274 237 E HA -0.148 4.498 4.350 0.493 0.000 0.194 237 E C 1.449 178.160 176.600 0.186 0.000 0.996 237 E CA 0.481 57.014 56.400 0.222 0.000 0.840 237 E CB 0.208 29.896 29.700 -0.020 0.000 0.772 237 E HN 0.260 nan 8.360 nan 0.000 0.491 238 E N 0.151 120.396 120.200 0.075 0.000 2.358 238 E HA -0.143 4.502 4.350 0.493 0.000 0.195 238 E C 1.895 178.531 176.600 0.059 0.000 1.010 238 E CA 0.267 56.698 56.400 0.052 0.000 0.856 238 E CB 0.091 29.790 29.700 -0.003 0.000 0.795 238 E HN 0.375 nan 8.360 nan 0.000 0.504 239 Q N -0.040 119.801 119.800 0.067 0.000 2.046 239 Q HA -0.194 4.442 4.340 0.493 0.000 0.200 239 Q C 1.904 177.967 176.000 0.105 0.000 0.975 239 Q CA 1.458 57.280 55.803 0.030 0.000 0.836 239 Q CB -0.135 28.572 28.738 -0.051 0.000 0.896 239 Q HN 0.358 nan 8.270 nan 0.000 0.428 240 Y N 0.621 120.976 120.300 0.091 0.000 2.263 240 Y HA -0.117 4.728 4.550 0.491 0.000 0.292 240 Y C 1.696 177.633 175.900 0.061 0.000 1.130 240 Y CA 1.021 59.190 58.100 0.115 0.000 1.179 240 Y CB -0.067 38.525 38.460 0.221 0.000 0.998 240 Y HN 0.011 nan 8.280 nan 0.000 0.532 241 L N -0.876 120.462 121.223 0.192 0.000 2.093 241 L HA -0.206 4.430 4.340 0.493 0.000 0.208 241 L C 2.478 179.308 176.870 -0.066 0.000 1.085 241 L CA 1.504 56.372 54.840 0.047 0.000 0.755 241 L CB -0.706 41.409 42.059 0.093 0.000 0.904 241 L HN 0.181 nan 8.230 nan 0.000 0.435 242 S N 0.103 115.779 115.700 -0.041 0.000 2.368 242 S HA -0.161 4.605 4.470 0.493 0.000 0.224 242 S C 1.838 176.382 174.600 -0.094 0.000 1.029 242 S CA 1.005 59.171 58.200 -0.057 0.000 0.988 242 S CB -0.277 62.899 63.200 -0.040 0.000 0.838 242 S HN 0.219 nan 8.310 nan 0.000 0.462 243 L N 1.779 122.928 121.223 -0.123 0.000 2.131 243 L HA -0.025 4.611 4.340 0.493 0.000 0.210 243 L C 2.034 178.793 176.870 -0.185 0.000 1.092 243 L CA 1.398 56.150 54.840 -0.147 0.000 0.759 243 L CB -0.494 41.472 42.059 -0.155 0.000 0.903 243 L HN 0.127 nan 8.230 nan 0.000 0.435 244 V N -0.775 118.982 119.914 -0.263 0.000 2.488 244 V HA -0.223 4.193 4.120 0.493 0.000 0.246 244 V C 2.216 178.232 176.094 -0.129 0.000 1.046 244 V CA 1.635 63.792 62.300 -0.238 0.000 1.053 244 V CB -0.565 31.065 31.823 -0.323 0.000 0.679 244 V HN 0.491 nan 8.190 nan 0.000 0.458 245 D N 0.218 120.555 120.400 -0.106 0.000 2.097 245 D HA -0.217 4.719 4.640 0.493 0.000 0.195 245 D C 2.348 178.615 176.300 -0.055 0.000 0.989 245 D CA 1.469 55.430 54.000 -0.064 0.000 0.827 245 D CB -0.121 40.648 40.800 -0.052 0.000 0.966 245 D HN 0.217 nan 8.370 nan 0.000 0.456 246 R N -0.214 120.247 120.500 -0.064 0.000 2.073 246 R HA -0.082 4.553 4.340 0.493 0.000 0.234 246 R C 2.482 178.754 176.300 -0.047 0.000 1.134 246 R CA 1.240 57.309 56.100 -0.051 0.000 0.952 246 R CB -0.290 29.976 30.300 -0.056 0.000 0.850 246 R HN 0.294 nan 8.270 nan 0.000 0.433 247 I N 0.413 120.945 120.570 -0.062 0.000 2.142 247 I HA -0.316 4.149 4.170 0.493 0.000 0.240 247 I C 2.285 178.379 176.117 -0.037 0.000 1.078 247 I CA 1.376 62.645 61.300 -0.052 0.000 1.343 247 I CB -0.236 37.720 38.000 -0.073 0.000 1.046 247 I HN 0.230 nan 8.210 nan 0.000 0.405 248 I N 0.265 120.812 120.570 -0.039 0.000 2.127 248 I HA -0.334 4.132 4.170 0.493 0.000 0.241 248 I C 2.788 178.896 176.117 -0.015 0.000 1.075 248 I CA 1.530 62.817 61.300 -0.021 0.000 1.334 248 I CB -0.454 37.536 38.000 -0.017 0.000 1.040 248 I HN 0.166 nan 8.210 nan 0.000 0.405 249 R N 0.597 121.085 120.500 -0.020 0.000 2.073 249 R HA -0.170 4.466 4.340 0.493 0.000 0.234 249 R C 1.364 177.657 176.300 -0.012 0.000 1.134 249 R CA 1.804 57.895 56.100 -0.014 0.000 0.952 249 R CB -0.025 30.263 30.300 -0.018 0.000 0.850 249 R HN 0.548 nan 8.270 nan 0.000 0.433 250 E N -1.098 119.093 120.200 -0.015 0.000 2.641 250 E HA 0.179 4.825 4.350 0.493 0.000 0.224 250 E C 0.367 176.962 176.600 -0.008 0.000 0.951 250 E CA -0.226 56.168 56.400 -0.010 0.000 1.102 250 E CB 0.983 30.676 29.700 -0.012 0.000 1.091 250 E HN 0.169 nan 8.360 nan 0.000 0.507 251 G N 1.571 110.364 108.800 -0.011 0.000 2.614 251 G HA2 0.002 4.257 3.960 0.493 0.000 0.239 251 G HA3 0.002 4.257 3.960 0.493 0.000 0.239 251 G C 0.003 174.900 174.900 -0.005 0.000 1.240 251 G CA -0.487 44.608 45.100 -0.009 0.000 0.842 251 G HN 0.040 nan 8.290 nan 0.000 0.584 252 N N 0.203 118.901 118.700 -0.004 0.000 2.405 252 N HA 0.083 5.119 4.740 0.493 0.000 0.260 252 N C -0.014 175.488 175.510 -0.013 0.000 1.152 252 N CA -0.134 52.914 53.050 -0.005 0.000 0.948 252 N CB 1.703 40.186 38.487 -0.007 0.000 1.111 252 N HN 0.111 nan 8.380 nan 0.000 0.485 253 V N 3.835 123.748 119.914 -0.002 0.000 2.446 253 V HA 0.065 4.480 4.120 0.493 0.000 0.276 253 V C 0.713 176.807 176.094 -0.000 0.000 1.030 253 V CA 0.234 62.527 62.300 -0.012 0.000 1.033 253 V CB -0.097 31.746 31.823 0.034 0.000 0.993 253 V HN 0.456 nan 8.190 nan 0.000 0.477 254 K N 3.365 123.720 120.400 -0.076 0.000 2.350 254 K HA 0.711 5.327 4.320 0.493 0.000 0.241 254 K C -1.307 175.195 176.600 -0.164 0.000 0.994 254 K CA -1.077 55.190 56.287 -0.034 0.000 0.839 254 K CB 2.069 34.538 32.500 -0.052 0.000 1.244 254 K HN 0.677 nan 8.250 nan 0.000 0.443 255 H N -0.054 119.012 119.070 -0.007 0.000 2.667 255 H HA 0.172 5.024 4.556 0.493 0.000 0.353 255 H C -0.771 174.559 175.328 0.004 0.000 1.072 255 H CA -0.552 55.498 56.048 0.004 0.000 1.214 255 H CB 1.368 31.134 29.762 0.005 0.000 1.600 255 H HN 0.466 nan 8.280 nan 0.000 0.527 256 D N 1.269 121.725 120.400 0.092 0.000 2.325 256 D HA -0.055 4.881 4.640 0.493 0.000 0.237 256 D C 1.270 177.613 176.300 0.073 0.000 1.328 256 D CA 0.038 54.078 54.000 0.066 0.000 0.918 256 D CB 0.903 41.741 40.800 0.062 0.000 1.156 256 D HN 0.650 nan 8.370 nan 0.000 0.485 257 R N -0.280 120.250 120.500 0.050 0.000 2.297 257 R HA -0.043 4.592 4.340 0.493 0.000 0.197 257 R C 1.331 177.653 176.300 0.037 0.000 0.943 257 R CA 0.504 56.628 56.100 0.039 0.000 1.038 257 R CB -0.895 29.422 30.300 0.028 0.000 0.957 257 R HN 0.379 nan 8.270 nan 0.000 0.484 258 T N -3.680 110.901 114.554 0.044 0.000 3.092 258 T HA 0.319 4.964 4.350 0.493 0.000 0.258 258 T C 1.182 175.909 174.700 0.046 0.000 1.031 258 T CA 0.396 62.518 62.100 0.037 0.000 0.925 258 T CB 0.320 69.207 68.868 0.032 0.000 1.036 258 T HN 0.397 nan 8.240 nan 0.000 0.544 259 G N 0.864 109.708 108.800 0.074 0.000 2.195 259 G HA2 -0.234 4.021 3.960 0.493 0.000 0.246 259 G HA3 -0.234 4.021 3.960 0.493 0.000 0.246 259 G C 0.060 175.057 174.900 0.161 0.000 0.984 259 G CA -0.115 45.054 45.100 0.115 0.000 0.633 259 G HN 0.712 nan 8.290 nan 0.000 0.525 260 V N 1.747 121.714 119.914 0.089 0.000 2.529 260 V HA 0.509 4.925 4.120 0.493 0.000 0.292 260 V C 1.344 177.445 176.094 0.011 0.000 1.028 260 V CA 0.637 62.965 62.300 0.047 0.000 1.074 260 V CB 1.034 32.865 31.823 0.015 0.000 0.958 260 V HN 0.748 nan 8.190 nan 0.000 0.481 261 G N 3.625 112.382 108.800 -0.071 0.000 2.412 261 G HA2 0.719 4.975 3.960 0.493 0.000 0.318 261 G HA3 0.719 4.975 3.960 0.493 0.000 0.318 261 G C -0.247 174.579 174.900 -0.123 0.000 1.146 261 G CA -0.031 44.857 45.100 -0.353 0.000 0.882 261 G HN 0.883 nan 8.290 nan 0.000 0.501 262 T N -1.567 112.858 114.554 -0.215 0.000 2.894 262 T HA 0.607 5.252 4.350 0.493 0.000 0.309 262 T C -1.164 173.466 174.700 -0.117 0.000 1.208 262 T CA -0.764 61.248 62.100 -0.146 0.000 1.016 262 T CB 1.705 70.427 68.868 -0.243 0.000 1.192 262 T HN 0.290 nan 8.240 nan 0.000 0.491 263 L N 2.614 123.799 121.223 -0.064 0.000 2.322 263 L HA 0.831 5.467 4.340 0.493 0.000 0.281 263 L C 0.172 177.034 176.870 -0.013 0.000 1.014 263 L CA 0.072 54.891 54.840 -0.036 0.000 0.815 263 L CB 1.984 44.029 42.059 -0.023 0.000 1.247 263 L HN 1.160 nan 8.230 nan 0.000 0.421 264 S N 2.787 118.484 115.700 -0.006 0.000 2.596 264 S HA 0.934 5.699 4.470 0.493 0.000 0.270 264 S C -0.909 173.705 174.600 0.023 0.000 1.155 264 S CA -0.813 57.399 58.200 0.020 0.000 0.827 264 S CB 1.886 65.113 63.200 0.044 0.000 1.130 264 S HN 0.537 nan 8.310 nan 0.000 0.467 265 I N -1.855 118.740 120.570 0.042 0.000 2.913 265 I HA 0.872 5.338 4.170 0.493 0.000 0.302 265 I C -1.614 174.583 176.117 0.133 0.000 1.246 265 I CA -1.016 60.321 61.300 0.062 0.000 1.010 265 I CB 1.766 39.774 38.000 0.013 0.000 1.259 265 I HN 0.688 nan 8.210 nan 0.000 0.434 266 F N 3.688 123.616 119.950 -0.038 0.000 2.469 266 F HA 0.825 5.651 4.527 0.498 0.000 0.332 266 F C 0.542 176.314 175.800 -0.046 0.000 1.103 266 F CA 0.006 57.983 58.000 -0.038 0.000 0.979 266 F CB 1.544 40.529 39.000 -0.025 0.000 1.137 266 F HN 1.089 nan 8.300 nan 0.000 0.463 267 G N 3.995 112.439 108.800 -0.594 0.000 3.429 267 G HA2 0.474 4.730 3.960 0.493 0.000 0.605 267 G HA3 0.474 4.730 3.960 0.493 0.000 0.605 267 G C -1.119 173.628 174.900 -0.254 0.000 0.973 267 G CA -0.234 44.576 45.100 -0.484 0.000 0.774 267 G HN 1.708 nan 8.290 nan 0.000 0.422 268 A N 2.359 125.028 122.820 -0.252 0.000 2.599 268 A HA 0.983 5.599 4.320 0.493 0.000 0.290 268 A C -0.516 176.956 177.584 -0.187 0.000 1.101 268 A CA 0.265 52.190 52.037 -0.185 0.000 0.674 268 A CB 1.908 20.806 19.000 -0.170 0.000 1.277 268 A HN 1.641 nan 8.150 nan 0.000 0.419 269 Q N 0.015 119.730 119.800 -0.142 0.000 2.377 269 Q HA 0.788 5.424 4.340 0.493 0.000 0.279 269 Q C -1.866 174.076 176.000 -0.096 0.000 1.049 269 Q CA -0.524 55.209 55.803 -0.118 0.000 0.825 269 Q CB 1.965 30.643 28.738 -0.099 0.000 1.401 269 Q HN 0.805 nan 8.270 nan 0.000 0.404 270 M N 2.162 121.726 119.600 -0.061 0.000 2.433 270 M HA 0.536 5.312 4.480 0.493 0.000 0.290 270 M C -1.092 175.100 176.300 -0.181 0.000 1.173 270 M CA -0.663 54.558 55.300 -0.130 0.000 0.905 270 M CB 2.906 35.489 32.600 -0.028 0.000 1.692 270 M HN 0.501 nan 8.290 nan 0.000 0.462 271 R N 1.376 121.639 120.500 -0.395 0.000 2.664 271 R HA 0.825 5.461 4.340 0.493 0.000 0.286 271 R C -2.032 173.926 176.300 -0.570 0.000 0.967 271 R CA -0.330 55.599 56.100 -0.286 0.000 0.933 271 R CB 1.481 31.682 30.300 -0.165 0.000 1.146 271 R HN 0.600 nan 8.270 nan 0.000 0.468 272 F N 0.767 120.734 119.950 0.029 0.000 2.573 272 F HA 0.258 5.075 4.527 0.483 0.000 0.316 272 F C 0.021 175.824 175.800 0.004 0.000 1.148 272 F CA -0.621 57.392 58.000 0.021 0.000 0.940 272 F CB 2.384 41.362 39.000 -0.037 0.000 1.214 272 F HN 0.325 nan 8.300 nan 0.000 0.448 273 S N 2.947 118.755 115.700 0.180 0.000 2.474 273 S HA 0.415 5.180 4.470 0.493 0.000 0.276 273 S C 0.085 174.731 174.600 0.077 0.000 1.227 273 S CA -0.448 57.816 58.200 0.107 0.000 1.050 273 S CB 0.233 63.482 63.200 0.082 0.000 0.939 273 S HN 0.530 nan 8.310 nan 0.000 0.490 274 L N 5.640 126.903 121.223 0.066 0.000 2.848 274 L HA 0.375 5.011 4.340 0.493 0.000 0.240 274 L C 0.974 177.878 176.870 0.056 0.000 1.232 274 L CA 0.387 55.253 54.840 0.043 0.000 1.031 274 L CB -0.555 41.538 42.059 0.057 0.000 1.338 274 L HN 0.554 nan 8.230 nan 0.000 0.509 275 R N 0.419 120.955 120.500 0.060 0.000 2.357 275 R HA 0.268 4.904 4.340 0.493 0.000 0.296 275 R C 0.140 176.496 176.300 0.093 0.000 1.052 275 R CA -0.422 55.718 56.100 0.067 0.000 0.988 275 R CB 0.149 30.481 30.300 0.053 0.000 1.025 275 R HN 0.272 nan 8.270 nan 0.000 0.469 276 N N 2.614 121.374 118.700 0.100 0.000 2.738 276 N HA -0.253 4.783 4.740 0.493 0.000 0.249 276 N C -0.826 174.806 175.510 0.203 0.000 1.047 276 N CA 0.484 53.614 53.050 0.133 0.000 0.707 276 N CB -0.960 37.609 38.487 0.137 0.000 0.937 276 N HN 0.891 nan 8.380 nan 0.000 0.545 277 N N -2.132 116.669 118.700 0.170 0.000 2.828 277 N HA -0.194 4.842 4.740 0.493 0.000 0.248 277 N C -0.724 174.896 175.510 0.184 0.000 1.044 277 N CA 0.704 53.874 53.050 0.199 0.000 0.851 277 N CB -0.368 38.260 38.487 0.234 0.000 1.136 277 N HN 0.412 nan 8.380 nan 0.000 0.572 278 R N 1.126 121.676 120.500 0.084 0.000 2.489 278 R HA 0.211 4.846 4.340 0.493 0.000 0.287 278 R C 0.055 176.244 176.300 -0.185 0.000 1.053 278 R CA -0.116 55.900 56.100 -0.140 0.000 1.036 278 R CB 0.498 30.761 30.300 -0.062 0.000 0.966 278 R HN 0.174 nan 8.270 nan 0.000 0.432 279 L N 6.585 127.619 121.223 -0.315 0.000 2.345 279 L HA 0.366 5.001 4.340 0.493 0.000 0.274 279 L C -2.092 174.451 176.870 -0.546 0.000 0.999 279 L CA -2.039 52.580 54.840 -0.369 0.000 0.849 279 L CB 1.916 43.716 42.059 -0.432 0.000 1.220 279 L HN 0.392 nan 8.230 nan 0.000 0.422 280 P HA 0.064 nan 4.420 nan 0.000 0.235 280 P C -0.702 175.911 177.300 -1.144 0.000 1.765 280 P CA 0.179 62.319 63.100 -1.599 0.000 1.034 280 P CB -0.228 30.755 31.700 -1.195 0.000 1.984 281 L N 3.143 123.968 121.223 -0.662 0.000 2.255 281 L HA 0.294 4.930 4.340 0.493 0.000 0.289 281 L C 1.067 178.099 176.870 0.269 0.000 1.046 281 L CA -1.068 53.623 54.840 -0.248 0.000 0.816 281 L CB 0.970 42.748 42.059 -0.468 0.000 1.197 281 L HN 0.074 nan 8.230 nan 0.000 0.427 282 L N 2.639 124.016 121.223 0.256 0.000 2.554 282 L HA -0.051 4.585 4.340 0.493 0.000 0.293 282 L C 1.531 178.622 176.870 0.370 0.000 1.252 282 L CA 0.354 55.415 54.840 0.368 0.000 0.862 282 L CB 0.183 42.265 42.059 0.038 0.000 1.113 282 L HN 0.729 nan 8.230 nan 0.000 0.510 283 T N -4.842 109.864 114.554 0.253 0.000 2.990 283 T HA -0.044 4.602 4.350 0.493 0.000 0.250 283 T C 1.437 176.268 174.700 0.219 0.000 1.041 283 T CA 0.382 62.602 62.100 0.201 0.000 1.010 283 T CB -0.110 68.850 68.868 0.153 0.000 1.003 283 T HN 0.758 nan 8.240 nan 0.000 0.499 284 T N -0.580 114.046 114.554 0.121 0.000 3.113 284 T HA 0.192 4.837 4.350 0.493 0.000 0.263 284 T C 0.467 175.197 174.700 0.050 0.000 1.143 284 T CA 0.215 62.314 62.100 -0.001 0.000 1.090 284 T CB -0.305 68.529 68.868 -0.057 0.000 0.922 284 T HN 0.549 nan 8.240 nan 0.000 0.521 285 K N 0.677 121.138 120.400 0.100 0.000 2.582 285 K HA 0.258 4.873 4.320 0.493 0.000 0.259 285 K C -0.967 175.714 176.600 0.136 0.000 0.973 285 K CA -0.650 55.697 56.287 0.100 0.000 0.880 285 K CB 1.549 34.102 32.500 0.087 0.000 1.310 285 K HN 0.120 nan 8.250 nan 0.000 0.443 286 R N 3.228 123.806 120.500 0.131 0.000 2.504 286 R HA 0.070 4.706 4.340 0.493 0.000 0.291 286 R C -0.835 175.611 176.300 0.244 0.000 0.974 286 R CA 0.067 56.293 56.100 0.210 0.000 1.077 286 R CB 0.400 30.785 30.300 0.143 0.000 0.926 286 R HN 0.283 nan 8.270 nan 0.000 0.407 287 V N 6.903 127.007 119.914 0.317 0.000 2.481 287 V HA 0.141 4.556 4.120 0.493 0.000 0.286 287 V C 0.104 176.344 176.094 0.244 0.000 1.042 287 V CA -0.483 61.939 62.300 0.204 0.000 0.928 287 V CB 1.292 33.161 31.823 0.077 0.000 0.986 287 V HN 0.694 nan 8.190 nan 0.000 0.462 288 F N 5.324 125.285 119.950 0.018 0.000 2.541 288 F HA 0.064 4.888 4.527 0.495 0.000 0.347 288 F C 1.075 176.776 175.800 -0.165 0.000 1.242 288 F CA -0.236 57.759 58.000 -0.009 0.000 1.123 288 F CB 0.016 39.041 39.000 0.042 0.000 1.354 288 F HN 0.833 nan 8.300 nan 0.000 0.621 289 W N 6.153 127.301 121.300 -0.254 0.000 2.436 289 W HA -0.136 4.816 4.660 0.487 0.000 0.284 289 W C 1.678 177.857 176.519 -0.567 0.000 1.225 289 W CA 0.929 58.006 57.345 -0.445 0.000 1.271 289 W CB -0.198 29.061 29.460 -0.336 0.000 1.114 289 W HN 0.551 nan 8.180 nan 0.000 0.559 290 R N 0.402 120.491 120.500 -0.686 0.000 2.152 290 R HA -0.100 4.536 4.340 0.493 0.000 0.232 290 R C 2.506 178.160 176.300 -1.077 0.000 1.117 290 R CA 1.760 57.415 56.100 -0.741 0.000 0.981 290 R CB -0.724 29.383 30.300 -0.321 0.000 0.870 290 R HN 0.226 nan 8.270 nan 0.000 0.451 291 G N -0.443 107.326 108.800 -1.718 0.000 2.395 291 G HA2 -0.140 4.116 3.960 0.493 0.000 0.214 291 G HA3 -0.140 4.116 3.960 0.493 0.000 0.214 291 G C 1.349 175.868 174.900 -0.634 0.000 1.177 291 G CA 0.493 44.969 45.100 -1.041 0.000 0.794 291 G HN 0.152 nan 8.290 nan 0.000 0.532 292 V N 0.696 120.023 119.914 -0.978 0.000 2.219 292 V HA -0.288 4.128 4.120 0.493 0.000 0.248 292 V C 2.972 178.599 176.094 -0.777 0.000 1.053 292 V CA 1.966 63.672 62.300 -0.990 0.000 1.009 292 V CB -1.095 29.962 31.823 -1.278 0.000 0.636 292 V HN 0.550 nan 8.190 nan 0.000 0.445 293 C N 0.215 118.805 119.300 -1.182 0.000 2.391 293 C HA -0.199 4.557 4.460 0.493 0.000 0.276 293 C C 2.816 177.523 174.990 -0.471 0.000 1.217 293 C CA 1.696 60.155 59.018 -0.932 0.000 1.766 293 C CB -1.183 25.880 27.740 -1.128 0.000 2.046 293 C HN 0.641 nan 8.230 nan 0.000 0.475 294 E N 0.058 119.990 120.200 -0.448 0.000 2.072 294 E HA -0.193 4.453 4.350 0.493 0.000 0.191 294 E C 2.138 178.598 176.600 -0.234 0.000 0.985 294 E CA 1.287 57.520 56.400 -0.279 0.000 0.801 294 E CB -0.626 28.898 29.700 -0.294 0.000 0.750 294 E HN 0.804 nan 8.360 nan 0.000 0.452 295 E N 0.910 120.918 120.200 -0.320 0.000 2.072 295 E HA -0.173 4.473 4.350 0.493 0.000 0.191 295 E C 2.349 178.643 176.600 -0.510 0.000 0.985 295 E CA 0.572 56.710 56.400 -0.437 0.000 0.801 295 E CB -0.037 29.416 29.700 -0.412 0.000 0.750 295 E HN 0.103 nan 8.360 nan 0.000 0.452 296 L N 0.650 121.730 121.223 -0.239 0.000 1.989 296 L HA -0.198 4.438 4.340 0.493 0.000 0.211 296 L C 2.259 179.202 176.870 0.121 0.000 1.071 296 L CA 1.372 56.256 54.840 0.073 0.000 0.749 296 L CB -0.518 41.561 42.059 0.032 0.000 0.890 296 L HN 0.189 nan 8.230 nan 0.000 0.431 297 L N -0.972 120.273 121.223 0.036 0.000 2.043 297 L HA -0.239 4.397 4.340 0.493 0.000 0.212 297 L C 2.271 179.218 176.870 0.129 0.000 1.075 297 L CA 1.968 56.864 54.840 0.093 0.000 0.752 297 L CB -1.506 40.588 42.059 0.058 0.000 0.891 297 L HN 0.635 nan 8.230 nan 0.000 0.432 298 W N -0.649 120.552 121.300 -0.164 0.000 2.338 298 W HA -0.270 4.684 4.660 0.490 0.000 0.304 298 W C 2.358 178.807 176.519 -0.117 0.000 1.212 298 W CA 1.431 58.660 57.345 -0.192 0.000 1.264 298 W CB -0.359 28.886 29.460 -0.358 0.000 1.142 298 W HN 0.093 nan 8.180 nan 0.000 0.512 299 F N 0.082 120.086 119.950 0.089 0.000 2.051 299 F HA -0.243 4.582 4.527 0.495 0.000 0.296 299 F C 2.375 178.106 175.800 -0.115 0.000 1.122 299 F CA 1.196 59.064 58.000 -0.220 0.000 1.201 299 F CB -1.607 37.188 39.000 -0.341 0.000 0.978 299 F HN -0.252 nan 8.300 nan 0.000 0.472 300 L N -0.076 121.333 121.223 0.310 0.000 2.089 300 L HA -0.235 4.401 4.340 0.493 0.000 0.213 300 L C 2.344 179.277 176.870 0.105 0.000 1.079 300 L CA 1.697 56.682 54.840 0.243 0.000 0.758 300 L CB -1.259 40.922 42.059 0.204 0.000 0.891 300 L HN 0.220 nan 8.230 nan 0.000 0.433 301 R N -0.654 119.878 120.500 0.052 0.000 2.280 301 R HA -0.010 4.625 4.340 0.493 0.000 0.207 301 R C 1.260 177.527 176.300 -0.055 0.000 1.043 301 R CA 0.646 56.748 56.100 0.005 0.000 1.006 301 R CB -0.095 30.207 30.300 0.003 0.000 0.885 301 R HN 0.541 nan 8.270 nan 0.000 0.467 302 G N 1.407 110.134 108.800 -0.122 0.000 2.147 302 G HA2 -0.276 3.980 3.960 0.493 0.000 0.244 302 G HA3 -0.276 3.980 3.960 0.493 0.000 0.244 302 G C -0.315 174.475 174.900 -0.184 0.000 1.005 302 G CA 0.046 45.053 45.100 -0.155 0.000 0.713 302 G HN 0.284 nan 8.290 nan 0.000 0.515 303 E N 0.126 120.052 120.200 -0.457 0.000 2.398 303 E HA 0.511 5.157 4.350 0.493 0.000 0.263 303 E C 1.643 177.703 176.600 -0.899 0.000 1.046 303 E CA 0.897 56.880 56.400 -0.696 0.000 0.908 303 E CB 0.669 29.602 29.700 -1.279 0.000 0.963 303 E HN 0.536 nan 8.360 nan 0.000 0.431 304 T N 0.011 114.307 114.554 -0.430 0.000 3.087 304 T HA 0.089 4.735 4.350 0.493 0.000 0.283 304 T C -0.256 174.457 174.700 0.021 0.000 0.956 304 T CA -0.346 61.564 62.100 -0.316 0.000 0.894 304 T CB -0.114 68.639 68.868 -0.192 0.000 1.160 304 T HN 0.304 nan 8.240 nan 0.000 0.532 305 Y N 2.485 122.796 120.300 0.017 0.000 2.385 305 Y HA 0.755 5.600 4.550 0.492 0.000 0.341 305 Y C 1.120 177.226 175.900 0.342 0.000 0.965 305 Y CA -2.216 55.914 58.100 0.051 0.000 1.180 305 Y CB 1.033 39.441 38.460 -0.086 0.000 1.139 305 Y HN 0.180 nan 8.280 nan 0.000 0.502 306 A N 5.500 128.435 122.820 0.191 0.000 2.067 306 A HA -0.066 4.550 4.320 0.493 0.000 0.217 306 A C 2.248 179.640 177.584 -0.320 0.000 1.156 306 A CA 1.004 52.932 52.037 -0.181 0.000 0.683 306 A CB -0.347 18.538 19.000 -0.192 0.000 0.808 306 A HN 0.781 nan 8.150 nan 0.000 0.455 307 K N 0.507 120.573 120.400 -0.557 0.000 2.160 307 K HA -0.190 4.426 4.320 0.493 0.000 0.206 307 K C 1.610 177.957 176.600 -0.422 0.000 1.047 307 K CA 1.656 57.602 56.287 -0.568 0.000 0.930 307 K CB -0.173 31.753 32.500 -0.957 0.000 0.720 307 K HN 0.460 nan 8.250 nan 0.000 0.450 308 K N 0.055 120.216 120.400 -0.399 0.000 2.283 308 K HA -0.110 4.506 4.320 0.493 0.000 0.202 308 K C 1.841 178.344 176.600 -0.163 0.000 1.048 308 K CA 0.621 56.818 56.287 -0.150 0.000 0.948 308 K CB 0.067 32.616 32.500 0.081 0.000 0.742 308 K HN 0.084 nan 8.250 nan 0.000 0.458 309 L N 0.249 121.289 121.223 -0.306 0.000 2.253 309 L HA -0.032 4.604 4.340 0.493 0.000 0.205 309 L C 2.242 178.951 176.870 -0.268 0.000 1.078 309 L CA 1.311 55.922 54.840 -0.381 0.000 0.805 309 L CB -0.182 41.460 42.059 -0.694 0.000 0.963 309 L HN 0.078 nan 8.230 nan 0.000 0.459 310 S N -2.051 113.522 115.700 -0.211 0.000 2.453 310 S HA -0.110 4.656 4.470 0.493 0.000 0.231 310 S C 1.454 176.002 174.600 -0.087 0.000 1.005 310 S CA 0.849 58.977 58.200 -0.120 0.000 0.949 310 S CB -0.387 62.846 63.200 0.054 0.000 0.774 310 S HN 0.355 nan 8.310 nan 0.000 0.510 311 D N 1.644 121.984 120.400 -0.099 0.000 2.378 311 D HA 0.114 5.050 4.640 0.493 0.000 0.227 311 D C 0.748 177.014 176.300 -0.056 0.000 1.012 311 D CA 0.670 54.637 54.000 -0.055 0.000 0.905 311 D CB 0.053 40.818 40.800 -0.059 0.000 0.895 311 D HN 0.552 nan 8.370 nan 0.000 0.532 312 K N -0.618 119.721 120.400 -0.101 0.000 2.618 312 K HA 0.281 4.897 4.320 0.493 0.000 0.207 312 K C 0.573 177.112 176.600 -0.102 0.000 1.058 312 K CA -0.132 56.103 56.287 -0.087 0.000 1.086 312 K CB 1.343 33.783 32.500 -0.098 0.000 0.827 312 K HN -0.058 nan 8.250 nan 0.000 0.481 313 G N 1.180 109.881 108.800 -0.164 0.000 2.272 313 G HA2 -0.219 4.037 3.960 0.493 0.000 0.280 313 G HA3 -0.219 4.037 3.960 0.493 0.000 0.280 313 G C -0.181 174.555 174.900 -0.273 0.000 1.067 313 G CA 0.149 45.115 45.100 -0.224 0.000 0.902 313 G HN 0.169 nan 8.290 nan 0.000 0.500 314 V N 1.113 120.758 119.914 -0.449 0.000 2.538 314 V HA 0.299 4.715 4.120 0.493 0.000 0.265 314 V C 0.437 176.333 176.094 -0.330 0.000 0.977 314 V CA -0.987 61.176 62.300 -0.229 0.000 0.852 314 V CB 0.914 32.642 31.823 -0.158 0.000 1.058 314 V HN 0.442 nan 8.190 nan 0.000 0.462 315 H N 3.983 123.061 119.070 0.014 0.000 2.567 315 H HA 0.197 5.049 4.556 0.493 0.000 0.294 315 H C 1.955 177.252 175.328 -0.051 0.000 1.050 315 H CA 0.363 56.398 56.048 -0.022 0.000 1.168 315 H CB 0.349 30.098 29.762 -0.022 0.000 1.422 315 H HN 0.797 nan 8.280 nan 0.000 0.562 316 I N -2.891 117.657 120.570 -0.037 0.000 2.502 316 I HA -0.183 4.283 4.170 0.493 0.000 0.258 316 I C 0.874 176.785 176.117 -0.344 0.000 1.172 316 I CA 1.427 62.599 61.300 -0.215 0.000 1.430 316 I CB -0.275 37.510 38.000 -0.357 0.000 1.086 316 I HN 0.028 nan 8.210 nan 0.000 0.440 317 W N 1.255 122.461 121.300 -0.157 0.000 2.966 317 W HA 0.251 5.205 4.660 0.489 0.000 0.406 317 W C 1.294 177.751 176.519 -0.104 0.000 1.027 317 W CA -0.550 56.705 57.345 -0.151 0.000 1.930 317 W CB 0.048 29.382 29.460 -0.210 0.000 1.144 317 W HN 0.016 nan 8.180 nan 0.000 0.626 318 D N 0.336 120.799 120.400 0.105 0.000 2.183 318 D HA -0.162 4.774 4.640 0.493 0.000 0.203 318 D C 1.604 177.929 176.300 0.041 0.000 0.969 318 D CA 1.425 55.472 54.000 0.078 0.000 0.842 318 D CB -0.087 40.753 40.800 0.066 0.000 0.957 318 D HN 0.132 nan 8.370 nan 0.000 0.484 319 D N 0.352 120.747 120.400 -0.009 0.000 2.123 319 D HA -0.064 4.872 4.640 0.493 0.000 0.200 319 D C 1.090 177.318 176.300 -0.121 0.000 0.976 319 D CA 0.762 54.740 54.000 -0.037 0.000 0.831 319 D CB -0.285 40.474 40.800 -0.068 0.000 0.974 319 D HN 0.216 nan 8.370 nan 0.000 0.469 320 N N -0.380 118.180 118.700 -0.233 0.000 2.398 320 N HA 0.082 5.118 4.740 0.493 0.000 0.188 320 N C 1.301 176.774 175.510 -0.061 0.000 1.122 320 N CA 0.288 53.013 53.050 -0.540 0.000 0.866 320 N CB 0.492 38.726 38.487 -0.421 0.000 0.970 320 N HN 0.066 nan 8.380 nan 0.000 0.462 321 G N -0.829 108.017 108.800 0.077 0.000 3.393 321 G HA2 0.016 4.271 3.960 0.493 0.000 0.255 321 G HA3 0.016 4.271 3.960 0.493 0.000 0.255 321 G C 0.093 175.091 174.900 0.164 0.000 1.097 321 G CA -0.292 44.897 45.100 0.148 0.000 0.780 321 G HN 0.237 nan 8.290 nan 0.000 0.540 322 S N -0.008 115.800 115.700 0.181 0.000 2.565 322 S HA 0.226 4.992 4.470 0.493 0.000 0.276 322 S C 1.760 176.481 174.600 0.201 0.000 1.326 322 S CA -0.438 57.869 58.200 0.180 0.000 1.045 322 S CB 1.360 64.668 63.200 0.181 0.000 0.918 322 S HN 0.296 nan 8.310 nan 0.000 0.505 323 R N 3.858 124.447 120.500 0.148 0.000 2.159 323 R HA -0.027 4.609 4.340 0.493 0.000 0.237 323 R C 1.959 178.328 176.300 0.115 0.000 1.131 323 R CA 2.235 58.412 56.100 0.129 0.000 0.982 323 R CB -1.067 29.291 30.300 0.097 0.000 0.868 323 R HN 0.716 nan 8.270 nan 0.000 0.453 324 A N -0.359 122.534 122.820 0.121 0.000 1.840 324 A HA -0.045 4.570 4.320 0.493 0.000 0.214 324 A C 2.110 179.753 177.584 0.097 0.000 1.198 324 A CA 1.129 53.221 52.037 0.093 0.000 0.608 324 A CB -0.945 18.110 19.000 0.093 0.000 0.839 324 A HN 0.425 nan 8.150 nan 0.000 0.443 325 F N 0.272 120.256 119.950 0.056 0.000 2.046 325 F HA -0.216 4.607 4.527 0.493 0.000 0.297 325 F C 1.954 177.792 175.800 0.063 0.000 1.123 325 F CA 1.866 59.903 58.000 0.062 0.000 1.199 325 F CB -0.358 38.691 39.000 0.083 0.000 0.972 325 F HN 0.152 nan 8.300 nan 0.000 0.474 326 L N 0.698 122.105 121.223 0.308 0.000 2.021 326 L HA -0.316 4.320 4.340 0.493 0.000 0.215 326 L C 2.087 178.975 176.870 0.031 0.000 1.074 326 L CA 2.075 57.045 54.840 0.217 0.000 0.760 326 L CB -1.235 40.971 42.059 0.246 0.000 0.889 326 L HN 0.165 nan 8.230 nan 0.000 0.433 327 D N -1.450 118.956 120.400 0.009 0.000 2.144 327 D HA -0.138 4.798 4.640 0.493 0.000 0.199 327 D C 2.387 178.631 176.300 -0.093 0.000 0.984 327 D CA 1.405 55.382 54.000 -0.038 0.000 0.834 327 D CB -0.197 40.595 40.800 -0.013 0.000 0.955 327 D HN 0.467 nan 8.370 nan 0.000 0.465 328 S N 0.453 116.064 115.700 -0.149 0.000 2.382 328 S HA -0.137 4.628 4.470 0.493 0.000 0.228 328 S C 1.763 176.242 174.600 -0.201 0.000 1.027 328 S CA 0.631 58.713 58.200 -0.196 0.000 0.991 328 S CB -0.160 62.857 63.200 -0.305 0.000 0.823 328 S HN 0.051 nan 8.310 nan 0.000 0.469 329 R N 1.381 121.745 120.500 -0.227 0.000 2.339 329 R HA 0.170 4.806 4.340 0.493 0.000 0.199 329 R C 1.799 178.022 176.300 -0.129 0.000 1.018 329 R CA 0.599 56.603 56.100 -0.161 0.000 1.036 329 R CB -1.478 28.766 30.300 -0.094 0.000 0.899 329 R HN 0.742 nan 8.270 nan 0.000 0.473 330 G N 1.007 109.731 108.800 -0.127 0.000 2.175 330 G HA2 -0.282 3.974 3.960 0.493 0.000 0.265 330 G HA3 -0.282 3.974 3.960 0.493 0.000 0.265 330 G C 0.401 175.191 174.900 -0.183 0.000 0.979 330 G CA 0.233 45.257 45.100 -0.126 0.000 0.663 330 G HN 0.378 nan 8.290 nan 0.000 0.533 331 L N 2.216 123.307 121.223 -0.220 0.000 2.803 331 L HA 0.177 4.813 4.340 0.493 0.000 0.241 331 L C 2.409 179.108 176.870 -0.286 0.000 1.404 331 L CA 0.483 55.056 54.840 -0.446 0.000 1.211 331 L CB -0.645 41.165 42.059 -0.414 0.000 1.585 331 L HN 0.439 nan 8.230 nan 0.000 0.430 332 T N -2.948 111.495 114.554 -0.185 0.000 2.833 332 T HA -0.185 4.461 4.350 0.493 0.000 0.269 332 T C 1.539 176.222 174.700 -0.028 0.000 1.054 332 T CA 1.154 63.208 62.100 -0.076 0.000 1.135 332 T CB -0.059 68.776 68.868 -0.055 0.000 0.869 332 T HN 0.542 nan 8.240 nan 0.000 0.466 333 E N 0.377 120.536 120.200 -0.069 0.000 2.476 333 E HA -0.032 4.614 4.350 0.493 0.000 0.191 333 E C -0.720 176.044 176.600 0.273 0.000 1.064 333 E CA -0.304 56.143 56.400 0.079 0.000 0.866 333 E CB -0.460 29.287 29.700 0.078 0.000 0.952 333 E HN 0.515 nan 8.360 nan 0.000 0.492 334 Y N 2.073 122.436 120.300 0.105 0.000 2.350 334 Y HA 0.274 5.119 4.550 0.493 0.000 0.340 334 Y C 0.905 176.894 175.900 0.149 0.000 1.006 334 Y CA -1.986 56.198 58.100 0.140 0.000 1.166 334 Y CB 0.319 38.848 38.460 0.115 0.000 1.168 334 Y HN 0.093 nan 8.280 nan 0.000 0.502 335 E N 2.067 122.465 120.200 0.330 0.000 2.458 335 E HA -0.092 4.553 4.350 0.493 0.000 0.264 335 E C -0.119 176.606 176.600 0.208 0.000 1.097 335 E CA -0.177 56.352 56.400 0.214 0.000 0.973 335 E CB 0.606 30.409 29.700 0.171 0.000 0.963 335 E HN 0.737 nan 8.360 nan 0.000 0.451 336 E N 2.376 122.686 120.200 0.183 0.000 2.413 336 E HA -0.112 4.533 4.350 0.493 0.000 0.263 336 E C 0.219 176.951 176.600 0.220 0.000 1.015 336 E CA -0.047 56.464 56.400 0.186 0.000 0.916 336 E CB 0.340 30.131 29.700 0.151 0.000 0.947 336 E HN 0.563 nan 8.360 nan 0.000 0.440 337 M N 1.059 120.781 119.600 0.202 0.000 2.966 337 M HA -0.213 4.563 4.480 0.493 0.000 0.199 337 M C -0.437 175.999 176.300 0.226 0.000 0.610 337 M CA 0.845 56.265 55.300 0.200 0.000 0.760 337 M CB -1.992 30.712 32.600 0.172 0.000 2.724 337 M HN 0.645 nan 8.290 nan 0.000 0.289 338 D N 2.001 122.491 120.400 0.151 0.000 2.374 338 D HA 0.424 5.359 4.640 0.493 0.000 0.240 338 D C 1.102 177.370 176.300 -0.053 0.000 1.229 338 D CA -0.039 53.956 54.000 -0.009 0.000 0.895 338 D CB 0.308 41.066 40.800 -0.070 0.000 1.046 338 D HN 0.455 nan 8.370 nan 0.000 0.498 339 L N 2.996 124.171 121.223 -0.080 0.000 2.291 339 L HA 0.182 4.818 4.340 0.493 0.000 0.214 339 L C 1.621 178.328 176.870 -0.271 0.000 1.120 339 L CA 0.497 55.281 54.840 -0.095 0.000 0.799 339 L CB -0.756 41.218 42.059 -0.142 0.000 0.925 339 L HN 0.631 nan 8.230 nan 0.000 0.446 340 G N 0.046 108.444 108.800 -0.670 0.000 2.549 340 G HA2 -0.149 4.107 3.960 0.493 0.000 0.404 340 G HA3 -0.149 4.107 3.960 0.493 0.000 0.404 340 G C -2.658 171.384 174.900 -1.430 0.000 1.292 340 G CA -0.443 43.969 45.100 -1.147 0.000 0.935 340 G HN -0.043 nan 8.290 nan 0.000 0.512 341 P HA 0.348 nan 4.420 nan 0.000 0.226 341 P C 0.671 177.615 177.300 -0.594 0.000 1.783 341 P CA 0.585 62.859 63.100 -1.377 0.000 0.980 341 P CB -0.255 30.602 31.700 -1.405 0.000 1.967 342 V N -1.630 118.008 119.914 -0.460 0.000 3.134 342 V HA 0.299 4.715 4.120 0.493 0.000 0.313 342 V C 1.177 177.161 176.094 -0.183 0.000 1.069 342 V CA -0.567 61.557 62.300 -0.293 0.000 1.048 342 V CB -0.046 31.650 31.823 -0.212 0.000 1.119 342 V HN 0.184 nan 8.190 nan 0.000 0.461 343 Y N 2.413 122.585 120.300 -0.213 0.000 1.975 343 Y HA -0.419 4.425 4.550 0.489 0.000 0.312 343 Y C 2.490 177.862 175.900 -0.879 0.000 0.799 343 Y CA 3.153 60.932 58.100 -0.535 0.000 2.030 343 Y CB -2.132 35.969 38.460 -0.600 0.000 0.750 343 Y HN 0.898 nan 8.280 nan 0.000 0.724 344 G N -1.116 107.293 108.800 -0.652 0.000 2.556 344 G HA2 -0.366 3.889 3.960 0.493 0.000 0.220 344 G HA3 -0.366 3.889 3.960 0.493 0.000 0.220 344 G C 1.461 176.221 174.900 -0.233 0.000 1.156 344 G CA 1.477 46.253 45.100 -0.540 0.000 0.766 344 G HN 0.515 nan 8.290 nan 0.000 0.583 345 F N 1.284 121.060 119.950 -0.291 0.000 2.126 345 F HA -0.114 4.709 4.527 0.493 0.000 0.299 345 F C 2.877 178.638 175.800 -0.065 0.000 1.096 345 F CA 2.092 59.999 58.000 -0.154 0.000 1.255 345 F CB 0.011 38.845 39.000 -0.276 0.000 0.997 345 F HN 0.127 nan 8.300 nan 0.000 0.479 346 Q N -1.075 118.836 119.800 0.185 0.000 2.311 346 Q HA -0.155 4.481 4.340 0.493 0.000 0.203 346 Q C 1.991 178.243 176.000 0.420 0.000 0.954 346 Q CA 0.881 56.844 55.803 0.266 0.000 0.885 346 Q CB -0.630 28.269 28.738 0.267 0.000 0.963 346 Q HN 0.531 nan 8.270 nan 0.000 0.471 347 W N 1.239 122.575 121.300 0.059 0.000 2.409 347 W HA -0.032 4.941 4.660 0.521 0.000 0.299 347 W C 1.852 178.275 176.519 -0.159 0.000 1.203 347 W CA 0.541 57.866 57.345 -0.034 0.000 1.298 347 W CB -0.161 29.204 29.460 -0.159 0.000 1.127 347 W HN 0.111 nan 8.180 nan 0.000 0.528 348 R N -1.053 119.384 120.500 -0.105 0.000 2.308 348 R HA 0.085 4.721 4.340 0.493 0.000 0.202 348 R C 0.181 176.047 176.300 -0.723 0.000 0.898 348 R CA 0.663 56.494 56.100 -0.448 0.000 1.046 348 R CB -0.477 29.417 30.300 -0.677 0.000 1.026 348 R HN 0.298 nan 8.270 nan 0.000 0.512 349 H N -1.050 117.886 119.070 -0.223 0.000 2.885 349 H HA 0.129 4.983 4.556 0.496 0.000 0.237 349 H C -0.498 174.744 175.328 -0.144 0.000 1.229 349 H CA -1.157 54.681 56.048 -0.350 0.000 0.947 349 H CB -0.531 28.631 29.762 -0.999 0.000 2.223 349 H HN -0.058 nan 8.280 nan 0.000 0.628 350 F N 2.623 122.585 119.950 0.021 0.000 2.579 350 F HA 0.162 4.987 4.527 0.497 0.000 0.397 350 F C 1.539 177.414 175.800 0.124 0.000 1.027 350 F CA 2.236 60.304 58.000 0.114 0.000 1.217 350 F CB 0.407 39.484 39.000 0.128 0.000 0.986 350 F HN 0.576 nan 8.300 nan 0.000 0.551 351 G N 3.367 111.964 108.800 -0.339 0.000 2.205 351 G HA2 -0.163 4.093 3.960 0.493 0.000 0.261 351 G HA3 -0.163 4.093 3.960 0.493 0.000 0.261 351 G C 0.302 175.244 174.900 0.070 0.000 0.980 351 G CA 0.082 45.120 45.100 -0.102 0.000 0.632 351 G HN 1.443 nan 8.290 nan 0.000 0.533 352 A N 0.262 123.181 122.820 0.165 0.000 2.445 352 A HA 0.778 5.394 4.320 0.493 0.000 0.242 352 A C 0.953 178.679 177.584 0.238 0.000 1.075 352 A CA 0.991 53.161 52.037 0.221 0.000 0.777 352 A CB 0.464 19.600 19.000 0.227 0.000 1.013 352 A HN 2.088 nan 8.150 nan 0.000 0.493 353 A N 1.025 123.955 122.820 0.184 0.000 2.409 353 A HA 0.486 5.101 4.320 0.493 0.000 0.262 353 A C -0.566 177.124 177.584 0.176 0.000 1.113 353 A CA -0.058 52.056 52.037 0.129 0.000 0.790 353 A CB -0.176 18.878 19.000 0.089 0.000 1.046 353 A HN 0.945 nan 8.150 nan 0.000 0.496 354 Y N 2.681 122.924 120.300 -0.095 0.000 2.331 354 Y HA 0.390 5.236 4.550 0.493 0.000 0.338 354 Y C 1.294 177.132 175.900 -0.102 0.000 0.992 354 Y CA 0.396 58.372 58.100 -0.206 0.000 1.121 354 Y CB 1.592 39.699 38.460 -0.587 0.000 1.184 354 Y HN 0.803 nan 8.280 nan 0.000 0.469 355 T N 1.802 116.058 114.554 -0.497 0.000 3.156 355 T HA 0.283 4.929 4.350 0.493 0.000 0.236 355 T C -0.129 173.971 174.700 -1.001 0.000 0.978 355 T CA 0.283 62.101 62.100 -0.471 0.000 1.240 355 T CB 0.081 68.857 68.868 -0.154 0.000 0.951 355 T HN 0.548 nan 8.240 nan 0.000 0.420 356 H N 0.361 119.007 119.070 -0.706 0.000 3.012 356 H HA 0.270 5.121 4.556 0.493 0.000 0.367 356 H C 0.556 175.541 175.328 -0.572 0.000 1.211 356 H CA -0.355 55.360 56.048 -0.556 0.000 1.139 356 H CB 1.235 30.816 29.762 -0.301 0.000 1.838 356 H HN 0.401 nan 8.280 nan 0.000 0.550 357 H N 0.489 119.470 119.070 -0.148 0.000 2.543 357 H HA -0.078 4.773 4.556 0.492 0.000 0.286 357 H C 0.027 175.357 175.328 0.003 0.000 1.037 357 H CA 1.053 57.130 56.048 0.047 0.000 1.250 357 H CB 0.024 29.764 29.762 -0.037 0.000 1.373 357 H HN 0.465 nan 8.280 nan 0.000 0.580 358 D N 1.416 121.384 120.400 -0.720 0.000 2.234 358 D HA 0.095 5.031 4.640 0.493 0.000 0.205 358 D C 1.188 177.268 176.300 -0.367 0.000 0.962 358 D CA 0.698 54.365 54.000 -0.555 0.000 0.855 358 D CB 0.021 40.501 40.800 -0.534 0.000 0.951 358 D HN 0.508 nan 8.370 nan 0.000 0.500 359 A N 1.074 123.642 122.820 -0.420 0.000 2.492 359 A HA -0.001 4.615 4.320 0.493 0.000 0.236 359 A C 0.567 177.665 177.584 -0.811 0.000 1.078 359 A CA -0.088 51.565 52.037 -0.641 0.000 0.773 359 A CB 0.155 18.645 19.000 -0.850 0.000 1.023 359 A HN 0.101 nan 8.150 nan 0.000 0.504 360 N N 0.450 118.731 118.700 -0.698 0.000 2.419 360 N HA 0.272 5.308 4.740 0.493 0.000 0.264 360 N C -0.810 174.250 175.510 -0.749 0.000 1.031 360 N CA -0.111 52.608 53.050 -0.553 0.000 0.951 360 N CB 0.452 38.729 38.487 -0.350 0.000 1.101 360 N HN 0.598 nan 8.380 nan 0.000 0.488 361 Y N 0.762 120.848 120.300 -0.356 0.000 2.444 361 Y HA 0.175 5.021 4.550 0.494 0.000 0.249 361 Y C -0.102 175.426 175.900 -0.620 0.000 1.134 361 Y CA -0.539 57.228 58.100 -0.555 0.000 1.261 361 Y CB 0.153 38.060 38.460 -0.920 0.000 1.143 361 Y HN 0.452 nan 8.280 nan 0.000 0.523 362 D N 0.630 120.718 120.400 -0.519 0.000 2.658 362 D HA 0.179 5.115 4.640 0.493 0.000 0.230 362 D C 1.535 177.369 176.300 -0.777 0.000 1.118 362 D CA 2.019 55.432 54.000 -0.980 0.000 0.848 362 D CB 0.427 40.123 40.800 -1.840 0.000 1.160 362 D HN 0.526 nan 8.370 nan 0.000 0.497 363 G N 2.151 110.787 108.800 -0.274 0.000 2.253 363 G HA2 -0.320 3.935 3.960 0.493 0.000 0.251 363 G HA3 -0.320 3.935 3.960 0.493 0.000 0.251 363 G C 0.395 175.376 174.900 0.136 0.000 0.998 363 G CA 0.125 45.352 45.100 0.212 0.000 0.621 363 G HN 0.559 nan 8.290 nan 0.000 0.524 364 Q N 0.269 120.104 119.800 0.058 0.000 2.306 364 Q HA 0.487 5.123 4.340 0.493 0.000 0.241 364 Q C 1.125 177.206 176.000 0.135 0.000 0.948 364 Q CA 0.288 56.137 55.803 0.077 0.000 0.886 364 Q CB 1.168 29.926 28.738 0.033 0.000 1.227 364 Q HN 1.537 nan 8.270 nan 0.000 0.457 365 G N -0.094 108.784 108.800 0.131 0.000 2.682 365 G HA2 -0.262 3.994 3.960 0.493 0.000 0.256 365 G HA3 -0.262 3.994 3.960 0.493 0.000 0.256 365 G C -0.600 174.403 174.900 0.171 0.000 1.333 365 G CA -0.483 44.715 45.100 0.164 0.000 0.904 365 G HN 0.514 nan 8.290 nan 0.000 0.569 366 V N 0.864 120.905 119.914 0.211 0.000 2.439 366 V HA 0.434 4.850 4.120 0.493 0.000 0.282 366 V C 0.226 176.389 176.094 0.114 0.000 1.039 366 V CA 0.150 62.543 62.300 0.155 0.000 0.913 366 V CB 1.749 33.655 31.823 0.138 0.000 0.983 366 V HN 0.763 nan 8.190 nan 0.000 0.460 367 D N 3.586 124.027 120.400 0.067 0.000 2.524 367 D HA 0.181 5.117 4.640 0.493 0.000 0.222 367 D C 1.204 177.513 176.300 0.015 0.000 1.142 367 D CA -0.048 53.959 54.000 0.011 0.000 0.973 367 D CB 0.876 41.684 40.800 0.013 0.000 1.025 367 D HN 0.602 nan 8.370 nan 0.000 0.519 368 Q N 1.700 121.521 119.800 0.035 0.000 2.133 368 Q HA -0.194 4.441 4.340 0.493 0.000 0.208 368 Q C 1.769 177.758 176.000 -0.019 0.000 0.991 368 Q CA 1.223 57.049 55.803 0.038 0.000 0.867 368 Q CB 0.279 29.080 28.738 0.106 0.000 0.911 368 Q HN 0.579 nan 8.270 nan 0.000 0.417 369 I N 0.929 121.437 120.570 -0.104 0.000 2.179 369 I HA -0.245 4.220 4.170 0.493 0.000 0.242 369 I C 2.225 178.298 176.117 -0.072 0.000 1.088 369 I CA 1.431 62.644 61.300 -0.145 0.000 1.357 369 I CB -1.065 36.838 38.000 -0.161 0.000 1.051 369 I HN 0.224 nan 8.210 nan 0.000 0.409 370 K N 0.917 121.296 120.400 -0.035 0.000 2.001 370 K HA -0.216 4.400 4.320 0.493 0.000 0.214 370 K C 2.219 178.811 176.600 -0.014 0.000 1.050 370 K CA 2.054 58.335 56.287 -0.010 0.000 0.934 370 K CB -0.213 32.297 32.500 0.017 0.000 0.718 370 K HN 0.307 nan 8.250 nan 0.000 0.443 371 A N 1.256 124.075 122.820 -0.001 0.000 1.917 371 A HA -0.205 4.410 4.320 0.493 0.000 0.219 371 A C 2.093 179.674 177.584 -0.005 0.000 1.182 371 A CA 1.619 53.659 52.037 0.004 0.000 0.633 371 A CB -0.642 18.369 19.000 0.019 0.000 0.819 371 A HN 0.297 nan 8.150 nan 0.000 0.448 372 I N -0.724 119.840 120.570 -0.010 0.000 2.113 372 I HA -0.211 4.254 4.170 0.493 0.000 0.238 372 I C 2.316 178.373 176.117 -0.100 0.000 1.070 372 I CA 1.230 62.512 61.300 -0.030 0.000 1.332 372 I CB -0.439 37.554 38.000 -0.013 0.000 1.044 372 I HN 0.145 nan 8.210 nan 0.000 0.402 373 V N 0.746 120.588 119.914 -0.121 0.000 2.546 373 V HA -0.271 4.145 4.120 0.493 0.000 0.254 373 V C 2.437 178.485 176.094 -0.077 0.000 1.076 373 V CA 1.715 63.943 62.300 -0.121 0.000 1.087 373 V CB -0.643 31.127 31.823 -0.089 0.000 0.674 373 V HN 0.422 nan 8.190 nan 0.000 0.470 374 E N -0.304 119.867 120.200 -0.049 0.000 2.060 374 E HA -0.079 4.567 4.350 0.493 0.000 0.189 374 E C 2.377 178.957 176.600 -0.033 0.000 0.974 374 E CA 1.513 57.893 56.400 -0.033 0.000 0.808 374 E CB -0.635 29.056 29.700 -0.016 0.000 0.768 374 E HN 0.607 nan 8.360 nan 0.000 0.453 375 T N 2.436 116.973 114.554 -0.029 0.000 2.759 375 T HA -0.157 4.489 4.350 0.493 0.000 0.269 375 T C 1.889 176.567 174.700 -0.037 0.000 1.042 375 T CA 0.750 62.837 62.100 -0.022 0.000 1.140 375 T CB -0.256 68.608 68.868 -0.006 0.000 0.864 375 T HN -0.026 nan 8.240 nan 0.000 0.455 376 L N 1.149 122.336 121.223 -0.059 0.000 2.079 376 L HA -0.060 4.576 4.340 0.493 0.000 0.210 376 L C 2.095 178.925 176.870 -0.067 0.000 1.081 376 L CA 1.751 56.543 54.840 -0.079 0.000 0.752 376 L CB -0.521 41.456 42.059 -0.136 0.000 0.896 376 L HN 0.248 nan 8.230 nan 0.000 0.433 377 K N -2.156 118.210 120.400 -0.058 0.000 2.400 377 K HA 0.063 4.679 4.320 0.493 0.000 0.194 377 K C 1.557 178.134 176.600 -0.038 0.000 1.033 377 K CA 1.050 57.308 56.287 -0.049 0.000 1.021 377 K CB 0.148 32.620 32.500 -0.046 0.000 0.808 377 K HN 0.498 nan 8.250 nan 0.000 0.505 378 T N -2.814 111.720 114.554 -0.034 0.000 2.987 378 T HA 0.058 4.704 4.350 0.493 0.000 0.248 378 T C 0.628 175.313 174.700 -0.025 0.000 0.997 378 T CA -0.067 62.018 62.100 -0.026 0.000 1.013 378 T CB 0.105 68.960 68.868 -0.020 0.000 1.077 378 T HN -0.046 nan 8.240 nan 0.000 0.483 379 N N 2.111 120.794 118.700 -0.028 0.000 2.673 379 N HA 0.335 5.370 4.740 0.493 0.000 0.265 379 N C -2.317 173.173 175.510 -0.034 0.000 1.709 379 N CA -1.934 51.101 53.050 -0.026 0.000 0.792 379 N CB 1.398 39.875 38.487 -0.016 0.000 1.286 379 N HN 0.023 nan 8.380 nan 0.000 0.506 380 P HA -0.074 nan 4.420 nan 0.000 0.227 380 P C -0.088 177.158 177.300 -0.090 0.000 1.145 380 P CA 0.996 64.055 63.100 -0.068 0.000 0.769 380 P CB 0.526 32.178 31.700 -0.080 0.000 0.769 381 D N -0.397 119.960 120.400 -0.071 0.000 2.346 381 D HA -0.016 4.920 4.640 0.493 0.000 0.206 381 D C 0.487 176.772 176.300 -0.024 0.000 1.001 381 D CA 0.213 54.167 54.000 -0.076 0.000 0.871 381 D CB -0.630 40.136 40.800 -0.057 0.000 0.943 381 D HN 0.269 nan 8.370 nan 0.000 0.518 382 D N 0.810 121.205 120.400 -0.008 0.000 2.648 382 D HA -0.143 4.792 4.640 0.493 0.000 0.229 382 D C 0.504 176.828 176.300 0.040 0.000 1.119 382 D CA 0.409 54.418 54.000 0.015 0.000 0.850 382 D CB 0.626 41.434 40.800 0.014 0.000 1.169 382 D HN -0.082 nan 8.370 nan 0.000 0.489 383 R N 3.385 123.913 120.500 0.047 0.000 2.702 383 R HA 0.199 4.835 4.340 0.493 0.000 0.314 383 R C 0.321 176.652 176.300 0.053 0.000 1.152 383 R CA -0.075 56.065 56.100 0.067 0.000 1.097 383 R CB 0.301 30.637 30.300 0.060 0.000 1.343 383 R HN 0.411 nan 8.270 nan 0.000 0.575 384 R N 0.148 120.680 120.500 0.053 0.000 2.616 384 R HA 0.283 4.919 4.340 0.493 0.000 0.427 384 R C -0.051 176.291 176.300 0.070 0.000 1.030 384 R CA -0.161 55.965 56.100 0.044 0.000 1.133 384 R CB 0.633 30.950 30.300 0.028 0.000 1.444 384 R HN 0.022 nan 8.270 nan 0.000 0.578 385 M N 2.852 122.519 119.600 0.112 0.000 3.396 385 M HA 0.280 5.056 4.480 0.493 0.000 0.255 385 M C -0.761 175.690 176.300 0.252 0.000 1.398 385 M CA 0.031 55.447 55.300 0.193 0.000 1.554 385 M CB 0.130 32.870 32.600 0.234 0.000 1.070 385 M HN 0.139 nan 8.290 nan 0.000 0.587 386 L N -0.780 120.536 121.223 0.155 0.000 2.424 386 L HA 0.931 5.566 4.340 0.493 0.000 0.258 386 L C -1.189 175.744 176.870 0.104 0.000 0.995 386 L CA -1.155 53.714 54.840 0.047 0.000 0.821 386 L CB 1.801 43.804 42.059 -0.094 0.000 1.383 386 L HN 0.313 nan 8.230 nan 0.000 0.410 387 F N -1.107 118.830 119.950 -0.022 0.000 2.577 387 F HA 0.922 5.739 4.527 0.484 0.000 0.318 387 F C -0.407 175.392 175.800 -0.002 0.000 1.065 387 F CA -0.690 57.288 58.000 -0.037 0.000 0.929 387 F CB 1.954 40.893 39.000 -0.102 0.000 1.237 387 F HN 0.691 nan 8.300 nan 0.000 0.468 388 T N 0.450 115.159 114.554 0.259 0.000 2.906 388 T HA 0.688 5.334 4.350 0.493 0.000 0.295 388 T C -0.003 175.051 174.700 0.589 0.000 1.061 388 T CA -0.046 62.229 62.100 0.291 0.000 1.000 388 T CB 1.656 70.645 68.868 0.203 0.000 1.103 388 T HN 1.093 nan 8.240 nan 0.000 0.486 389 A N 2.762 125.948 122.820 0.610 0.000 2.343 389 A HA 0.269 4.884 4.320 0.493 0.000 0.223 389 A C 0.645 178.443 177.584 0.357 0.000 1.214 389 A CA -0.500 51.872 52.037 0.558 0.000 0.900 389 A CB 0.066 19.381 19.000 0.525 0.000 0.942 389 A HN 0.807 nan 8.150 nan 0.000 0.507 390 W N 2.563 124.010 121.300 0.245 0.000 2.510 390 W HA 0.252 5.207 4.660 0.492 0.000 0.388 390 W C -0.695 175.964 176.519 0.233 0.000 1.092 390 W CA -0.134 57.314 57.345 0.172 0.000 1.562 390 W CB 0.198 29.739 29.460 0.135 0.000 1.603 390 W HN 0.268 nan 8.180 nan 0.000 0.396 391 N N 6.950 125.562 118.700 -0.147 0.000 2.626 391 N HA 0.219 5.255 4.740 0.493 0.000 0.249 391 N C -1.999 173.348 175.510 -0.271 0.000 1.021 391 N CA -1.992 51.003 53.050 -0.092 0.000 0.886 391 N CB 1.622 39.894 38.487 -0.358 0.000 1.149 391 N HN 0.041 nan 8.380 nan 0.000 0.517 392 P HA -0.048 nan 4.420 nan 0.000 0.218 392 P C 0.836 178.070 177.300 -0.110 0.000 1.146 392 P CA 1.071 64.081 63.100 -0.149 0.000 0.813 392 P CB 0.461 32.175 31.700 0.024 0.000 0.778 393 S N -1.189 114.460 115.700 -0.084 0.000 2.461 393 S HA 0.071 4.837 4.470 0.493 0.000 0.228 393 S C 1.736 176.266 174.600 -0.115 0.000 1.005 393 S CA 1.034 59.191 58.200 -0.072 0.000 0.942 393 S CB -0.345 62.831 63.200 -0.040 0.000 0.776 393 S HN 0.170 nan 8.310 nan 0.000 0.514 394 A N 0.191 122.904 122.820 -0.179 0.000 2.469 394 A HA 0.470 5.086 4.320 0.493 0.000 0.245 394 A C 1.536 178.987 177.584 -0.222 0.000 1.221 394 A CA -0.234 51.684 52.037 -0.198 0.000 0.946 394 A CB -0.137 18.718 19.000 -0.243 0.000 1.049 394 A HN 0.361 nan 8.150 nan 0.000 0.529 395 L N -0.167 120.907 121.223 -0.248 0.000 2.046 395 L HA -0.078 4.558 4.340 0.493 0.000 0.208 395 L C -0.716 176.059 176.870 -0.158 0.000 1.077 395 L CA 1.313 55.996 54.840 -0.261 0.000 0.747 395 L CB -1.508 40.343 42.059 -0.346 0.000 0.896 395 L HN 0.172 nan 8.230 nan 0.000 0.432 396 P HA -0.141 nan 4.420 nan 0.000 0.226 396 P C 1.049 178.308 177.300 -0.069 0.000 1.146 396 P CA 1.191 64.242 63.100 -0.081 0.000 0.773 396 P CB -0.024 31.632 31.700 -0.074 0.000 0.772 397 R N -2.134 118.322 120.500 -0.074 0.000 2.397 397 R HA 0.295 4.931 4.340 0.493 0.000 0.241 397 R C 0.583 176.897 176.300 0.024 0.000 0.914 397 R CA 0.081 56.171 56.100 -0.016 0.000 1.071 397 R CB 0.139 30.428 30.300 -0.019 0.000 1.116 397 R HN 0.325 nan 8.270 nan 0.000 0.524 398 M N -0.079 119.489 119.600 -0.053 0.000 2.264 398 M HA 0.291 5.066 4.480 0.493 0.000 0.352 398 M C 1.271 177.620 176.300 0.081 0.000 1.173 398 M CA -0.313 54.948 55.300 -0.064 0.000 1.075 398 M CB 1.764 34.275 32.600 -0.149 0.000 1.621 398 M HN -0.034 nan 8.290 nan 0.000 0.457 399 A N 3.126 126.035 122.820 0.149 0.000 1.917 399 A HA -0.035 4.581 4.320 0.493 0.000 0.219 399 A C 0.558 178.378 177.584 0.392 0.000 1.182 399 A CA 1.753 53.989 52.037 0.331 0.000 0.633 399 A CB -0.012 19.151 19.000 0.273 0.000 0.819 399 A HN 0.633 nan 8.150 nan 0.000 0.448 400 L N -2.548 118.813 121.223 0.229 0.000 2.465 400 L HA 0.556 5.192 4.340 0.493 0.000 0.257 400 L C -2.896 174.014 176.870 0.068 0.000 0.988 400 L CA -1.899 53.065 54.840 0.206 0.000 0.827 400 L CB 2.243 44.446 42.059 0.240 0.000 1.397 400 L HN -0.152 nan 8.230 nan 0.000 0.410 401 P HA 0.396 nan 4.420 nan 0.000 0.282 401 P C -2.652 174.632 177.300 -0.026 0.000 1.249 401 P CA -1.332 61.712 63.100 -0.092 0.000 0.806 401 P CB 0.262 31.921 31.700 -0.068 0.000 0.984 402 P HA -0.013 nan 4.420 nan 0.000 0.266 402 P C 0.026 177.451 177.300 0.208 0.000 1.195 402 P CA 0.150 63.073 63.100 -0.295 0.000 0.768 402 P CB 0.728 32.136 31.700 -0.488 0.000 0.838 403 C N 1.601 121.075 119.300 0.291 0.000 2.538 403 C HA 0.001 4.756 4.460 0.493 0.000 0.281 403 C C 1.263 176.460 174.990 0.344 0.000 1.320 403 C CA 0.668 59.874 59.018 0.314 0.000 1.714 403 C CB -1.615 26.310 27.740 0.308 0.000 2.095 403 C HN 0.727 nan 8.230 nan 0.000 0.497 404 H N 0.717 120.086 119.070 0.498 0.000 2.741 404 H HA 0.492 5.343 4.556 0.492 0.000 0.282 404 H C 0.346 176.010 175.328 0.561 0.000 1.122 404 H CA -0.594 55.706 56.048 0.419 0.000 1.293 404 H CB 0.059 30.083 29.762 0.438 0.000 1.415 404 H HN 0.306 nan 8.280 nan 0.000 0.472 405 L N 1.130 122.626 121.223 0.456 0.000 2.556 405 L HA 0.402 5.037 4.340 0.493 0.000 0.226 405 L C -0.396 176.678 176.870 0.340 0.000 1.089 405 L CA 0.009 55.126 54.840 0.462 0.000 0.864 405 L CB 0.397 42.765 42.059 0.516 0.000 1.067 405 L HN 0.469 nan 8.230 nan 0.000 0.477 406 L N 0.697 122.029 121.223 0.182 0.000 2.472 406 L HA 0.939 5.575 4.340 0.493 0.000 0.260 406 L C -1.340 175.341 176.870 -0.315 0.000 0.963 406 L CA -0.572 54.214 54.840 -0.089 0.000 0.829 406 L CB 1.997 44.008 42.059 -0.080 0.000 1.348 406 L HN 0.107 nan 8.230 nan 0.000 0.408 407 A N 3.977 126.378 122.820 -0.699 0.000 2.486 407 A HA 0.794 5.410 4.320 0.493 0.000 0.300 407 A C -1.547 175.620 177.584 -0.695 0.000 1.048 407 A CA -0.477 51.105 52.037 -0.758 0.000 0.696 407 A CB 1.823 20.282 19.000 -0.901 0.000 1.278 407 A HN 0.738 nan 8.150 nan 0.000 0.405 408 Q N 0.666 120.126 119.800 -0.566 0.000 2.451 408 Q HA 0.781 5.417 4.340 0.493 0.000 0.281 408 Q C -1.882 173.786 176.000 -0.553 0.000 1.099 408 Q CA -0.567 54.996 55.803 -0.399 0.000 0.806 408 Q CB 1.756 30.382 28.738 -0.187 0.000 1.419 408 Q HN 0.643 nan 8.270 nan 0.000 0.427 409 F N 1.027 121.013 119.950 0.060 0.000 2.556 409 F HA 0.585 5.335 4.527 0.372 0.000 0.327 409 F C -0.924 174.973 175.800 0.162 0.000 1.059 409 F CA -0.698 57.362 58.000 0.101 0.000 0.953 409 F CB 1.643 40.693 39.000 0.083 0.000 1.227 409 F HN 0.496 nan 8.300 nan 0.000 0.478 410 Y N 0.720 121.148 120.300 0.214 0.000 2.479 410 Y HA 0.686 5.311 4.550 0.125 0.000 0.338 410 Y C -2.003 173.963 175.900 0.109 0.000 1.055 410 Y CA -0.960 57.209 58.100 0.115 0.000 1.023 410 Y CB 1.704 40.199 38.460 0.059 0.000 1.287 410 Y HN 0.355 nan 8.280 nan 0.000 0.447 411 V N 5.422 125.067 119.914 -0.449 0.000 2.444 411 V HA 0.632 5.048 4.120 0.493 0.000 0.294 411 V C -1.038 174.774 176.094 -0.471 0.000 1.022 411 V CA -0.315 61.804 62.300 -0.302 0.000 0.850 411 V CB 1.625 33.343 31.823 -0.176 0.000 0.992 411 V HN 0.777 nan 8.190 nan 0.000 0.426 412 S N 3.714 119.293 115.700 -0.202 0.000 2.571 412 S HA 0.511 5.276 4.470 0.493 0.000 0.284 412 S C -0.040 174.549 174.600 -0.019 0.000 1.128 412 S CA -0.734 57.407 58.200 -0.099 0.000 0.970 412 S CB 1.524 64.778 63.200 0.091 0.000 1.039 412 S HN 0.730 nan 8.310 nan 0.000 0.485 413 N N 1.588 120.275 118.700 -0.020 0.000 2.708 413 N HA -0.207 4.829 4.740 0.493 0.000 0.249 413 N C 1.051 176.557 175.510 -0.006 0.000 1.097 413 N CA 1.583 54.631 53.050 -0.004 0.000 0.710 413 N CB -1.623 36.874 38.487 0.017 0.000 1.032 413 N HN 1.967 nan 8.380 nan 0.000 0.551 414 G N -0.986 107.800 108.800 -0.023 0.000 2.168 414 G HA2 -0.336 3.920 3.960 0.493 0.000 0.263 414 G HA3 -0.336 3.920 3.960 0.493 0.000 0.263 414 G C -0.163 174.733 174.900 -0.006 0.000 0.977 414 G CA 0.872 45.961 45.100 -0.020 0.000 0.659 414 G HN 0.627 nan 8.290 nan 0.000 0.533 415 E N -0.613 119.592 120.200 0.009 0.000 2.214 415 E HA 0.619 5.264 4.350 0.493 0.000 0.274 415 E C -0.615 176.015 176.600 0.049 0.000 0.977 415 E CA -1.059 55.361 56.400 0.034 0.000 0.827 415 E CB 2.193 31.925 29.700 0.052 0.000 1.130 415 E HN 0.140 nan 8.360 nan 0.000 0.394 416 L N 1.754 123.018 121.223 0.070 0.000 2.272 416 L HA 0.322 4.958 4.340 0.493 0.000 0.289 416 L C -0.752 176.227 176.870 0.181 0.000 1.032 416 L CA 0.025 54.934 54.840 0.115 0.000 0.810 416 L CB 1.443 43.556 42.059 0.090 0.000 1.205 416 L HN 0.364 nan 8.230 nan 0.000 0.422 417 S N 3.372 119.215 115.700 0.239 0.000 2.638 417 S HA 0.716 5.482 4.470 0.493 0.000 0.298 417 S C -1.172 173.574 174.600 0.243 0.000 1.111 417 S CA -0.561 57.774 58.200 0.225 0.000 1.027 417 S CB 1.544 64.884 63.200 0.234 0.000 1.064 417 S HN 0.827 nan 8.310 nan 0.000 0.525 418 C N 3.148 122.516 119.300 0.113 0.000 2.686 418 C HA 0.767 5.522 4.460 0.493 0.000 0.318 418 C C -0.992 173.926 174.990 -0.121 0.000 1.160 418 C CA -0.694 58.276 59.018 -0.079 0.000 1.396 418 C CB 0.772 28.480 27.740 -0.053 0.000 1.924 418 C HN 0.938 nan 8.230 nan 0.000 0.471 419 M N 6.492 125.955 119.600 -0.228 0.000 2.114 419 M HA 0.696 5.471 4.480 0.493 0.000 0.332 419 M C -1.196 174.943 176.300 -0.267 0.000 1.014 419 M CA -0.409 54.783 55.300 -0.180 0.000 0.956 419 M CB 1.195 33.710 32.600 -0.142 0.000 1.551 419 M HN 0.734 nan 8.290 nan 0.000 0.427 420 L N 5.940 127.004 121.223 -0.266 0.000 2.322 420 L HA 0.604 5.240 4.340 0.493 0.000 0.279 420 L C -2.161 174.626 176.870 -0.139 0.000 1.036 420 L CA -0.270 54.312 54.840 -0.430 0.000 0.807 420 L CB 1.366 42.910 42.059 -0.858 0.000 1.226 420 L HN 0.748 nan 8.230 nan 0.000 0.433 421 Y N 3.904 124.073 120.300 -0.218 0.000 2.338 421 Y HA 0.498 5.339 4.550 0.485 0.000 0.328 421 Y C -0.709 175.191 175.900 0.001 0.000 0.965 421 Y CA -0.321 57.724 58.100 -0.092 0.000 1.208 421 Y CB 1.102 39.487 38.460 -0.125 0.000 1.132 421 Y HN 0.792 nan 8.280 nan 0.000 0.469 422 Q N 6.570 126.133 119.800 -0.394 0.000 2.333 422 Q HA 0.326 4.962 4.340 0.493 0.000 0.268 422 Q C 0.570 176.356 176.000 -0.356 0.000 1.007 422 Q CA -0.731 54.997 55.803 -0.126 0.000 0.810 422 Q CB 1.237 30.058 28.738 0.138 0.000 1.264 422 Q HN 0.967 nan 8.270 nan 0.000 0.452 423 R N 1.610 122.047 120.500 -0.106 0.000 2.057 423 R HA 0.129 4.765 4.340 0.493 0.000 0.229 423 R C 0.470 176.800 176.300 0.049 0.000 1.136 423 R CA 0.635 56.718 56.100 -0.028 0.000 0.952 423 R CB -0.091 30.257 30.300 0.080 0.000 0.848 423 R HN 0.340 nan 8.270 nan 0.000 0.430 424 S N -0.487 115.286 115.700 0.122 0.000 2.475 424 S HA 0.489 5.255 4.470 0.493 0.000 0.298 424 S C -1.231 173.453 174.600 0.140 0.000 1.119 424 S CA -0.834 57.485 58.200 0.198 0.000 1.085 424 S CB 1.441 64.790 63.200 0.249 0.000 1.028 424 S HN 0.417 nan 8.310 nan 0.000 0.489 425 C N 3.842 123.159 119.300 0.029 0.000 2.478 425 C HA 0.392 5.147 4.460 0.493 0.000 0.334 425 C C -0.528 174.147 174.990 -0.525 0.000 1.106 425 C CA -1.244 57.684 59.018 -0.150 0.000 1.363 425 C CB 0.377 28.035 27.740 -0.136 0.000 1.941 425 C HN 0.896 nan 8.230 nan 0.000 0.436 426 D N 3.746 123.948 120.400 -0.330 0.000 2.374 426 D HA 0.159 5.095 4.640 0.493 0.000 0.240 426 D C 1.243 177.481 176.300 -0.103 0.000 1.229 426 D CA -0.228 53.571 54.000 -0.336 0.000 0.895 426 D CB 0.642 41.450 40.800 0.014 0.000 1.046 426 D HN 0.356 nan 8.370 nan 0.000 0.498 427 M N 2.698 122.207 119.600 -0.152 0.000 2.202 427 M HA -0.023 4.753 4.480 0.493 0.000 0.262 427 M C 2.065 178.477 176.300 0.186 0.000 1.063 427 M CA 0.997 56.309 55.300 0.019 0.000 1.097 427 M CB -1.314 31.209 32.600 -0.127 0.000 1.382 427 M HN 0.496 nan 8.290 nan 0.000 0.413 428 G N 0.117 109.017 108.800 0.167 0.000 2.440 428 G HA2 -0.097 4.158 3.960 0.493 0.000 0.218 428 G HA3 -0.097 4.158 3.960 0.493 0.000 0.218 428 G C 1.546 176.567 174.900 0.202 0.000 1.154 428 G CA 0.969 46.204 45.100 0.225 0.000 0.767 428 G HN 0.495 nan 8.290 nan 0.000 0.552 429 L N -1.602 119.742 121.223 0.202 0.000 2.746 429 L HA 0.337 4.973 4.340 0.493 0.000 0.230 429 L C 2.807 179.794 176.870 0.197 0.000 1.034 429 L CA 0.533 55.483 54.840 0.184 0.000 0.922 429 L CB -0.538 41.614 42.059 0.155 0.000 1.496 429 L HN 0.153 nan 8.230 nan 0.000 0.498 430 G N 1.133 110.025 108.800 0.154 0.000 2.524 430 G HA2 -0.170 4.086 3.960 0.493 0.000 0.215 430 G HA3 -0.170 4.086 3.960 0.493 0.000 0.215 430 G C 1.499 176.530 174.900 0.219 0.000 1.239 430 G CA 1.306 46.488 45.100 0.138 0.000 0.798 430 G HN 0.031 nan 8.290 nan 0.000 0.557 431 V N 2.456 122.500 119.914 0.217 0.000 2.277 431 V HA -0.209 4.207 4.120 0.493 0.000 0.255 431 V C 0.407 176.632 176.094 0.218 0.000 1.074 431 V CA 2.664 65.134 62.300 0.284 0.000 1.058 431 V CB -1.369 30.649 31.823 0.325 0.000 0.656 431 V HN 0.344 nan 8.190 nan 0.000 0.449 432 P HA -0.153 nan 4.420 nan 0.000 0.217 432 P C 1.714 179.038 177.300 0.040 0.000 1.150 432 P CA 1.467 64.551 63.100 -0.027 0.000 0.832 432 P CB -0.113 31.561 31.700 -0.044 0.000 0.787 433 F N 0.340 120.288 119.950 -0.003 0.000 2.163 433 F HA -0.122 4.699 4.527 0.490 0.000 0.297 433 F C 1.748 177.530 175.800 -0.031 0.000 1.094 433 F CA 1.448 59.443 58.000 -0.008 0.000 1.290 433 F CB -0.451 38.563 39.000 0.023 0.000 1.017 433 F HN -0.151 nan 8.300 nan 0.000 0.483 434 N N 0.408 119.319 118.700 0.353 0.000 2.331 434 N HA -0.104 4.931 4.740 0.493 0.000 0.180 434 N C 1.784 177.308 175.510 0.023 0.000 1.019 434 N CA 1.136 54.313 53.050 0.212 0.000 0.881 434 N CB -0.037 38.559 38.487 0.181 0.000 0.972 434 N HN 0.311 nan 8.380 nan 0.000 0.435 435 I N 0.726 121.241 120.570 -0.091 0.000 2.353 435 I HA -0.167 4.298 4.170 0.493 0.000 0.248 435 I C 2.406 178.377 176.117 -0.244 0.000 1.119 435 I CA 0.370 61.498 61.300 -0.286 0.000 1.417 435 I CB -0.290 37.405 38.000 -0.510 0.000 1.078 435 I HN 0.147 nan 8.210 nan 0.000 0.421 436 A N 0.656 123.364 122.820 -0.186 0.000 1.835 436 A HA -0.209 4.407 4.320 0.493 0.000 0.215 436 A C 2.513 180.055 177.584 -0.069 0.000 1.199 436 A CA 2.296 54.251 52.037 -0.137 0.000 0.615 436 A CB -0.973 17.916 19.000 -0.186 0.000 0.838 436 A HN 0.350 nan 8.150 nan 0.000 0.444 437 S N -1.134 114.509 115.700 -0.096 0.000 2.368 437 S HA -0.238 4.527 4.470 0.493 0.000 0.226 437 S C 1.818 176.377 174.600 -0.069 0.000 1.044 437 S CA 2.033 60.182 58.200 -0.085 0.000 1.062 437 S CB -0.699 62.501 63.200 -0.001 0.000 0.931 437 S HN 0.613 nan 8.310 nan 0.000 0.440 438 Y N 1.263 121.537 120.300 -0.043 0.000 2.497 438 Y HA 0.064 4.904 4.550 0.484 0.000 0.292 438 Y C 2.342 178.241 175.900 -0.001 0.000 1.137 438 Y CA 0.463 58.551 58.100 -0.021 0.000 1.285 438 Y CB -0.381 38.009 38.460 -0.117 0.000 0.991 438 Y HN 0.295 nan 8.280 nan 0.000 0.556 439 A N -0.702 122.168 122.820 0.083 0.000 1.903 439 A HA -0.070 4.545 4.320 0.493 0.000 0.213 439 A C 2.027 179.665 177.584 0.091 0.000 1.185 439 A CA 0.923 52.990 52.037 0.050 0.000 0.628 439 A CB -0.822 18.145 19.000 -0.056 0.000 0.830 439 A HN 0.360 nan 8.150 nan 0.000 0.446 440 L N -0.292 120.994 121.223 0.104 0.000 1.994 440 L HA -0.129 4.507 4.340 0.493 0.000 0.208 440 L C 2.284 179.225 176.870 0.117 0.000 1.071 440 L CA 2.208 57.139 54.840 0.153 0.000 0.745 440 L CB -0.775 41.358 42.059 0.124 0.000 0.892 440 L HN 0.374 nan 8.230 nan 0.000 0.431 441 L N -0.950 120.323 121.223 0.083 0.000 2.013 441 L HA -0.237 4.398 4.340 0.493 0.000 0.212 441 L C 2.310 179.277 176.870 0.163 0.000 1.073 441 L CA 2.598 57.500 54.840 0.102 0.000 0.753 441 L CB -1.099 40.990 42.059 0.051 0.000 0.890 441 L HN 0.370 nan 8.230 nan 0.000 0.432 442 T N -0.065 114.616 114.554 0.213 0.000 2.746 442 T HA -0.151 4.494 4.350 0.493 0.000 0.267 442 T C 1.949 176.737 174.700 0.147 0.000 1.039 442 T CA 1.992 64.250 62.100 0.263 0.000 1.142 442 T CB -0.350 68.669 68.868 0.252 0.000 0.866 442 T HN 0.343 nan 8.240 nan 0.000 0.444 443 I N 0.726 121.367 120.570 0.118 0.000 2.163 443 I HA -0.157 4.309 4.170 0.493 0.000 0.243 443 I C 2.263 178.394 176.117 0.024 0.000 1.085 443 I CA 1.267 62.621 61.300 0.090 0.000 1.347 443 I CB -0.383 37.703 38.000 0.144 0.000 1.044 443 I HN 0.207 nan 8.210 nan 0.000 0.408 444 L N 0.010 121.245 121.223 0.020 0.000 2.056 444 L HA -0.213 4.423 4.340 0.493 0.000 0.207 444 L C 2.544 179.344 176.870 -0.117 0.000 1.078 444 L CA 0.946 55.725 54.840 -0.102 0.000 0.749 444 L CB -0.518 41.489 42.059 -0.085 0.000 0.901 444 L HN 0.236 nan 8.230 nan 0.000 0.433 445 I N 0.453 120.985 120.570 -0.063 0.000 2.264 445 I HA -0.265 4.200 4.170 0.493 0.000 0.248 445 I C 2.836 178.871 176.117 -0.136 0.000 1.111 445 I CA 1.599 62.823 61.300 -0.128 0.000 1.382 445 I CB -1.445 36.434 38.000 -0.201 0.000 1.060 445 I HN 0.186 nan 8.210 nan 0.000 0.418 446 A N 1.063 123.832 122.820 -0.085 0.000 1.858 446 A HA -0.233 4.383 4.320 0.493 0.000 0.216 446 A C 2.342 179.867 177.584 -0.099 0.000 1.190 446 A CA 1.723 53.716 52.037 -0.073 0.000 0.617 446 A CB -0.607 18.377 19.000 -0.026 0.000 0.827 446 A HN 0.351 nan 8.150 nan 0.000 0.443 447 K N -0.246 120.075 120.400 -0.132 0.000 2.113 447 K HA -0.145 4.471 4.320 0.493 0.000 0.208 447 K C 2.017 178.537 176.600 -0.134 0.000 1.047 447 K CA 1.299 57.483 56.287 -0.172 0.000 0.928 447 K CB -0.339 31.974 32.500 -0.311 0.000 0.716 447 K HN 0.467 nan 8.250 nan 0.000 0.446 448 A N 0.878 123.622 122.820 -0.125 0.000 2.167 448 A HA -0.058 4.558 4.320 0.493 0.000 0.214 448 A C 1.774 179.308 177.584 -0.083 0.000 1.151 448 A CA 1.424 53.408 52.037 -0.088 0.000 0.735 448 A CB -0.253 18.700 19.000 -0.078 0.000 0.802 448 A HN 0.411 nan 8.150 nan 0.000 0.467 449 T N -5.110 109.387 114.554 -0.095 0.000 3.200 449 T HA 0.438 5.084 4.350 0.493 0.000 0.284 449 T C 0.957 175.614 174.700 -0.072 0.000 1.009 449 T CA 0.758 62.805 62.100 -0.088 0.000 0.907 449 T CB -0.169 68.631 68.868 -0.113 0.000 1.120 449 T HN 1.584 nan 8.240 nan 0.000 0.534 450 G N 1.553 110.313 108.800 -0.067 0.000 2.338 450 G HA2 -0.180 4.076 3.960 0.493 0.000 0.296 450 G HA3 -0.180 4.076 3.960 0.493 0.000 0.296 450 G C -0.272 174.599 174.900 -0.048 0.000 1.040 450 G CA 0.570 45.637 45.100 -0.054 0.000 1.004 450 G HN 0.690 nan 8.290 nan 0.000 0.509 451 L N -1.912 119.282 121.223 -0.049 0.000 2.322 451 L HA 0.727 5.362 4.340 0.493 0.000 0.252 451 L C 0.600 177.456 176.870 -0.023 0.000 1.055 451 L CA -1.450 53.369 54.840 -0.035 0.000 0.849 451 L CB 1.708 43.744 42.059 -0.039 0.000 1.446 451 L HN 0.127 nan 8.230 nan 0.000 0.416 452 R N 0.505 121.004 120.500 -0.003 0.000 2.532 452 R HA 0.434 5.070 4.340 0.493 0.000 0.295 452 R C -2.556 173.763 176.300 0.032 0.000 0.968 452 R CA -1.838 54.270 56.100 0.013 0.000 0.916 452 R CB 1.356 31.668 30.300 0.020 0.000 1.124 452 R HN 0.205 nan 8.270 nan 0.000 0.463 453 P HA -0.013 nan 4.420 nan 0.000 0.267 453 P C -0.130 177.213 177.300 0.072 0.000 1.209 453 P CA 0.281 63.421 63.100 0.066 0.000 0.763 453 P CB 1.003 32.745 31.700 0.070 0.000 0.816 454 G N 3.076 111.931 108.800 0.091 0.000 2.593 454 G HA2 0.168 4.423 3.960 0.493 0.000 0.212 454 G HA3 0.168 4.423 3.960 0.493 0.000 0.212 454 G C -0.408 174.548 174.900 0.093 0.000 1.934 454 G CA 0.081 45.236 45.100 0.092 0.000 0.861 454 G HN 0.471 nan 8.290 nan 0.000 0.629 455 E N -0.915 119.349 120.200 0.106 0.000 2.369 455 E HA 0.530 5.176 4.350 0.493 0.000 0.270 455 E C -1.559 175.107 176.600 0.110 0.000 0.909 455 E CA -0.670 55.790 56.400 0.100 0.000 0.775 455 E CB 2.855 32.599 29.700 0.074 0.000 1.270 455 E HN 0.128 nan 8.360 nan 0.000 0.445 456 L N 2.876 124.177 121.223 0.131 0.000 2.325 456 L HA 0.503 5.139 4.340 0.493 0.000 0.281 456 L C -1.412 175.547 176.870 0.148 0.000 1.004 456 L CA -0.766 54.150 54.840 0.128 0.000 0.823 456 L CB 1.437 43.575 42.059 0.132 0.000 1.236 456 L HN 0.346 nan 8.230 nan 0.000 0.415 457 V N 4.934 124.890 119.914 0.070 0.000 2.370 457 V HA 0.329 4.745 4.120 0.493 0.000 0.283 457 V C -0.278 175.874 176.094 0.097 0.000 1.023 457 V CA -0.536 61.800 62.300 0.060 0.000 0.857 457 V CB 1.385 33.199 31.823 -0.014 0.000 0.985 457 V HN 0.698 nan 8.190 nan 0.000 0.443 458 H N 2.914 122.007 119.070 0.038 0.000 2.511 458 H HA 0.477 5.328 4.556 0.491 0.000 0.328 458 H C -0.590 174.705 175.328 -0.055 0.000 1.044 458 H CA -0.480 55.569 56.048 0.002 0.000 1.212 458 H CB 1.171 31.009 29.762 0.127 0.000 1.428 458 H HN 0.661 nan 8.280 nan 0.000 0.483 459 T N 6.576 121.156 114.554 0.044 0.000 2.794 459 T HA 0.359 5.005 4.350 0.493 0.000 0.280 459 T C -0.254 174.210 174.700 -0.393 0.000 0.987 459 T CA -0.667 61.339 62.100 -0.156 0.000 0.993 459 T CB 0.762 69.605 68.868 -0.042 0.000 0.939 459 T HN 0.404 nan 8.240 nan 0.000 0.449 460 L N 1.505 122.456 121.223 -0.453 0.000 2.333 460 L HA 0.779 5.414 4.340 0.493 0.000 0.269 460 L C 1.111 177.670 176.870 -0.519 0.000 1.010 460 L CA -1.069 53.470 54.840 -0.503 0.000 0.818 460 L CB 1.645 43.456 42.059 -0.413 0.000 1.306 460 L HN 0.778 nan 8.230 nan 0.000 0.430 461 G N -0.516 108.013 108.800 -0.451 0.000 2.606 461 G HA2 -0.014 4.242 3.960 0.493 0.000 0.213 461 G HA3 -0.014 4.242 3.960 0.493 0.000 0.213 461 G C -0.420 174.460 174.900 -0.033 0.000 2.020 461 G CA 0.082 44.974 45.100 -0.346 0.000 0.814 461 G HN 0.581 nan 8.290 nan 0.000 0.685 462 D N 1.872 122.391 120.400 0.198 0.000 2.422 462 D HA 0.486 5.421 4.640 0.493 0.000 0.227 462 D C -0.027 176.383 176.300 0.184 0.000 1.190 462 D CA -0.265 53.896 54.000 0.268 0.000 0.905 462 D CB 0.508 41.448 40.800 0.234 0.000 1.034 462 D HN 0.289 nan 8.370 nan 0.000 0.507 463 A N 5.488 128.348 122.820 0.066 0.000 2.269 463 A HA 0.448 5.063 4.320 0.493 0.000 0.302 463 A C -0.154 177.409 177.584 -0.036 0.000 1.266 463 A CA -0.525 51.471 52.037 -0.069 0.000 0.894 463 A CB 0.271 19.198 19.000 -0.122 0.000 1.147 463 A HN 0.706 nan 8.150 nan 0.000 0.537 464 H N -0.045 118.951 119.070 -0.123 0.000 2.865 464 H HA 0.716 5.567 4.556 0.493 0.000 0.372 464 H C -1.796 173.413 175.328 -0.198 0.000 1.173 464 H CA -1.288 54.656 56.048 -0.174 0.000 1.147 464 H CB 1.285 30.900 29.762 -0.246 0.000 1.805 464 H HN 0.235 nan 8.280 nan 0.000 0.553 465 V N 2.761 122.626 119.914 -0.081 0.000 2.378 465 V HA 0.125 4.541 4.120 0.493 0.000 0.288 465 V C -0.511 175.551 176.094 -0.054 0.000 1.016 465 V CA -0.727 61.541 62.300 -0.054 0.000 0.840 465 V CB 0.567 32.386 31.823 -0.007 0.000 0.994 465 V HN 0.664 nan 8.190 nan 0.000 0.431 466 Y N 2.708 122.999 120.300 -0.015 0.000 2.717 466 Y HA -0.112 4.734 4.550 0.493 0.000 0.330 466 Y C 2.058 177.836 175.900 -0.202 0.000 1.217 466 Y CA 0.943 58.919 58.100 -0.207 0.000 1.506 466 Y CB 0.844 38.960 38.460 -0.574 0.000 1.268 466 Y HN 0.749 nan 8.280 nan 0.000 0.561 467 S N 1.987 117.710 115.700 0.039 0.000 2.380 467 S HA -0.309 4.457 4.470 0.493 0.000 0.229 467 S C 1.108 175.729 174.600 0.034 0.000 1.050 467 S CA 2.097 60.302 58.200 0.009 0.000 1.100 467 S CB -0.460 62.729 63.200 -0.017 0.000 0.984 467 S HN 0.841 nan 8.310 nan 0.000 0.434 468 N N 0.194 118.899 118.700 0.007 0.000 2.441 468 N HA 0.063 5.099 4.740 0.493 0.000 0.225 468 N C 0.253 175.921 175.510 0.264 0.000 1.208 468 N CA 0.293 53.393 53.050 0.084 0.000 0.847 468 N CB -0.542 37.983 38.487 0.064 0.000 1.121 468 N HN 0.594 nan 8.380 nan 0.000 0.479 469 H N -1.936 117.188 119.070 0.091 0.000 3.360 469 H HA 0.197 5.048 4.556 0.492 0.000 0.262 469 H C 1.144 176.508 175.328 0.060 0.000 1.149 469 H CA -0.263 55.837 56.048 0.086 0.000 1.181 469 H CB 0.909 30.747 29.762 0.127 0.000 1.564 469 H HN 0.035 nan 8.280 nan 0.000 0.565 470 V N 1.597 121.611 119.914 0.167 0.000 2.231 470 V HA -0.318 4.098 4.120 0.493 0.000 0.248 470 V C 2.081 178.219 176.094 0.073 0.000 1.054 470 V CA 2.171 64.528 62.300 0.095 0.000 1.015 470 V CB -0.420 31.442 31.823 0.065 0.000 0.638 470 V HN 0.495 nan 8.190 nan 0.000 0.444 471 E N -0.168 120.074 120.200 0.070 0.000 2.070 471 E HA -0.221 4.425 4.350 0.493 0.000 0.197 471 E C 0.029 176.655 176.600 0.042 0.000 1.004 471 E CA 1.912 58.342 56.400 0.049 0.000 0.805 471 E CB -1.233 28.495 29.700 0.047 0.000 0.744 471 E HN 0.559 nan 8.360 nan 0.000 0.451 472 P HA -0.103 nan 4.420 nan 0.000 0.214 472 P C 1.311 178.628 177.300 0.028 0.000 1.162 472 P CA 0.996 64.112 63.100 0.027 0.000 0.874 472 P CB -0.018 31.684 31.700 0.005 0.000 0.784 473 C N -0.843 118.485 119.300 0.045 0.000 2.403 473 C HA -0.120 4.636 4.460 0.493 0.000 0.277 473 C C 2.554 177.558 174.990 0.023 0.000 1.248 473 C CA 0.999 60.044 59.018 0.044 0.000 1.762 473 C CB -1.977 25.796 27.740 0.055 0.000 2.014 473 C HN 0.310 nan 8.230 nan 0.000 0.486 474 N N 0.444 119.157 118.700 0.021 0.000 2.223 474 N HA -0.102 4.933 4.740 0.493 0.000 0.185 474 N C 1.787 177.298 175.510 0.002 0.000 1.016 474 N CA 1.054 54.110 53.050 0.009 0.000 0.863 474 N CB -0.356 38.139 38.487 0.013 0.000 0.983 474 N HN 0.612 nan 8.380 nan 0.000 0.429 475 E N 1.029 121.232 120.200 0.005 0.000 2.028 475 E HA -0.144 4.502 4.350 0.493 0.000 0.191 475 E C 1.846 178.434 176.600 -0.021 0.000 0.988 475 E CA 0.647 57.045 56.400 -0.003 0.000 0.799 475 E CB -0.226 29.476 29.700 0.005 0.000 0.755 475 E HN 0.439 nan 8.360 nan 0.000 0.447 476 Q N 0.380 120.173 119.800 -0.012 0.000 2.135 476 Q HA -0.128 4.508 4.340 0.493 0.000 0.204 476 Q C 2.376 178.347 176.000 -0.048 0.000 0.981 476 Q CA 0.828 56.615 55.803 -0.028 0.000 0.856 476 Q CB -0.104 28.650 28.738 0.026 0.000 0.902 476 Q HN 0.269 nan 8.270 nan 0.000 0.425 477 L N 0.281 121.491 121.223 -0.022 0.000 2.353 477 L HA -0.187 4.448 4.340 0.493 0.000 0.220 477 L C 1.875 178.716 176.870 -0.048 0.000 1.133 477 L CA 0.995 55.819 54.840 -0.026 0.000 0.798 477 L CB -0.159 41.889 42.059 -0.019 0.000 0.922 477 L HN 0.102 nan 8.230 nan 0.000 0.445 478 K N -0.188 120.175 120.400 -0.061 0.000 2.418 478 K HA 0.051 4.667 4.320 0.493 0.000 0.195 478 K C 0.377 176.912 176.600 -0.108 0.000 1.035 478 K CA 0.161 56.411 56.287 -0.062 0.000 1.003 478 K CB 0.179 32.655 32.500 -0.040 0.000 0.793 478 K HN 0.259 nan 8.250 nan 0.000 0.494 479 R N 1.407 121.785 120.500 -0.203 0.000 2.265 479 R HA 0.196 4.832 4.340 0.493 0.000 0.314 479 R C -0.581 175.546 176.300 -0.289 0.000 1.053 479 R CA -0.418 55.438 56.100 -0.407 0.000 0.931 479 R CB 1.400 31.175 30.300 -0.874 0.000 1.024 479 R HN -0.149 nan 8.270 nan 0.000 0.457 480 V N 6.393 126.213 119.914 -0.158 0.000 2.470 480 V HA 0.101 4.517 4.120 0.493 0.000 0.276 480 V C -1.866 174.226 176.094 -0.003 0.000 1.040 480 V CA -1.690 60.586 62.300 -0.040 0.000 1.008 480 V CB 0.748 32.592 31.823 0.035 0.000 0.990 480 V HN 0.617 nan 8.190 nan 0.000 0.477 481 P HA 0.094 nan 4.420 nan 0.000 0.264 481 P C -0.060 177.246 177.300 0.011 0.000 1.179 481 P CA 0.396 63.487 63.100 -0.015 0.000 0.763 481 P CB 0.524 32.176 31.700 -0.079 0.000 0.806 482 R N 1.676 122.202 120.500 0.044 0.000 2.700 482 R HA 0.694 5.330 4.340 0.493 0.000 0.253 482 R C -0.008 176.210 176.300 -0.137 0.000 1.091 482 R CA -1.051 55.048 56.100 -0.002 0.000 1.104 482 R CB 0.761 31.086 30.300 0.042 0.000 1.202 482 R HN 0.450 nan 8.270 nan 0.000 0.532 483 A N 1.251 124.010 122.820 -0.101 0.000 2.511 483 A HA 0.165 4.781 4.320 0.493 0.000 0.242 483 A C -0.509 177.036 177.584 -0.065 0.000 1.069 483 A CA 0.031 51.996 52.037 -0.120 0.000 0.763 483 A CB -0.136 18.843 19.000 -0.034 0.000 1.001 483 A HN 0.396 nan 8.150 nan 0.000 0.498 484 F N 3.391 123.306 119.950 -0.058 0.000 2.490 484 F HA 0.289 5.114 4.527 0.496 0.000 0.336 484 F C -1.002 174.652 175.800 -0.244 0.000 1.178 484 F CA -1.398 56.542 58.000 -0.100 0.000 1.301 484 F CB 0.168 39.088 39.000 -0.132 0.000 1.175 484 F HN 0.445 nan 8.300 nan 0.000 0.593 485 P HA 0.210 nan 4.420 nan 0.000 0.302 485 P C -1.607 175.388 177.300 -0.509 0.000 1.307 485 P CA -0.099 62.922 63.100 -0.132 0.000 0.754 485 P CB 0.890 32.597 31.700 0.012 0.000 1.298 486 Y N -1.857 118.402 120.300 -0.069 0.000 2.536 486 Y HA 0.547 5.392 4.550 0.493 0.000 0.347 486 Y C 0.101 175.882 175.900 -0.198 0.000 1.000 486 Y CA -1.045 57.000 58.100 -0.092 0.000 1.051 486 Y CB 1.466 39.912 38.460 -0.024 0.000 1.259 486 Y HN 0.089 nan 8.280 nan 0.000 0.468 487 L N 3.704 124.892 121.223 -0.058 0.000 2.329 487 L HA 0.884 5.520 4.340 0.493 0.000 0.279 487 L C -0.706 176.123 176.870 -0.069 0.000 1.014 487 L CA -0.698 54.020 54.840 -0.203 0.000 0.814 487 L CB 1.408 43.309 42.059 -0.265 0.000 1.257 487 L HN 0.551 nan 8.230 nan 0.000 0.424 488 V N 0.547 120.366 119.914 -0.159 0.000 3.167 488 V HA 0.653 5.069 4.120 0.493 0.000 0.310 488 V C -1.226 174.760 176.094 -0.181 0.000 1.207 488 V CA -0.874 61.416 62.300 -0.015 0.000 1.059 488 V CB 2.040 33.879 31.823 0.027 0.000 1.079 488 V HN 0.575 nan 8.190 nan 0.000 0.446 489 F N 1.357 121.334 119.950 0.045 0.000 2.553 489 F HA 0.633 5.454 4.527 0.491 0.000 0.335 489 F C 1.356 177.194 175.800 0.063 0.000 1.148 489 F CA -0.906 57.138 58.000 0.073 0.000 0.963 489 F CB 2.247 41.304 39.000 0.095 0.000 1.217 489 F HN 0.529 nan 8.300 nan 0.000 0.441 490 R N 2.331 122.936 120.500 0.175 0.000 2.070 490 R HA -0.030 4.606 4.340 0.493 0.000 0.233 490 R C 0.439 176.821 176.300 0.138 0.000 1.137 490 R CA 1.051 57.222 56.100 0.119 0.000 0.945 490 R CB -0.512 29.832 30.300 0.073 0.000 0.845 490 R HN 0.625 nan 8.270 nan 0.000 0.430 491 R N 0.117 120.722 120.500 0.175 0.000 2.905 491 R HA 0.486 5.122 4.340 0.493 0.000 0.260 491 R C -0.449 175.965 176.300 0.192 0.000 1.086 491 R CA -0.938 55.242 56.100 0.133 0.000 0.978 491 R CB 1.338 31.681 30.300 0.070 0.000 1.215 491 R HN -0.234 nan 8.270 nan 0.000 0.480 492 E N 0.221 120.473 120.200 0.086 0.000 2.586 492 E HA 0.569 5.215 4.350 0.493 0.000 0.232 492 E C -0.811 175.663 176.600 -0.209 0.000 0.854 492 E CA -1.082 55.358 56.400 0.066 0.000 0.938 492 E CB 1.041 30.774 29.700 0.054 0.000 1.518 492 E HN 0.411 nan 8.360 nan 0.000 0.400 493 R N -0.296 120.010 120.500 -0.323 0.000 2.764 493 R HA 0.202 4.838 4.340 0.493 0.000 0.270 493 R C 0.394 176.552 176.300 -0.237 0.000 1.014 493 R CA -0.407 55.423 56.100 -0.451 0.000 0.904 493 R CB 1.164 30.815 30.300 -1.082 0.000 1.236 493 R HN 0.527 nan 8.270 nan 0.000 0.466 494 E N 0.212 120.271 120.200 -0.235 0.000 2.230 494 E HA 0.120 4.766 4.350 0.493 0.000 0.192 494 E C -0.605 175.566 176.600 -0.715 0.000 0.987 494 E CA 0.799 56.942 56.400 -0.427 0.000 0.841 494 E CB 0.338 29.788 29.700 -0.416 0.000 0.783 494 E HN 0.308 nan 8.360 nan 0.000 0.481 495 F N -0.875 119.076 119.950 0.002 0.000 2.613 495 F HA 0.203 5.025 4.527 0.491 0.000 0.314 495 F C 0.476 176.378 175.800 0.170 0.000 1.075 495 F CA -1.024 57.016 58.000 0.067 0.000 0.945 495 F CB 1.297 40.325 39.000 0.047 0.000 1.310 495 F HN -0.189 nan 8.300 nan 0.000 0.467 496 L N 1.264 122.733 121.223 0.410 0.000 2.109 496 L HA -0.014 4.622 4.340 0.493 0.000 0.207 496 L C 1.753 178.849 176.870 0.378 0.000 1.086 496 L CA 2.017 57.105 54.840 0.413 0.000 0.760 496 L CB -0.533 41.649 42.059 0.206 0.000 0.910 496 L HN 0.613 nan 8.230 nan 0.000 0.437 497 E N -0.293 120.069 120.200 0.270 0.000 2.409 497 E HA -0.145 4.500 4.350 0.493 0.000 0.198 497 E C 1.484 178.193 176.600 0.182 0.000 1.024 497 E CA 0.844 57.358 56.400 0.189 0.000 0.861 497 E CB -0.206 29.565 29.700 0.118 0.000 0.788 497 E HN 0.503 nan 8.360 nan 0.000 0.521 498 D N -0.774 119.748 120.400 0.204 0.000 2.305 498 D HA -0.055 4.881 4.640 0.493 0.000 0.206 498 D C -0.209 176.124 176.300 0.055 0.000 0.974 498 D CA 0.240 54.302 54.000 0.104 0.000 0.871 498 D CB -0.053 40.790 40.800 0.071 0.000 0.947 498 D HN 0.210 nan 8.370 nan 0.000 0.516 499 Y N 2.012 122.383 120.300 0.119 0.000 2.810 499 Y HA -0.025 4.824 4.550 0.499 0.000 0.332 499 Y C 1.146 177.106 175.900 0.101 0.000 1.243 499 Y CA 0.629 58.804 58.100 0.125 0.000 1.537 499 Y CB 0.330 38.883 38.460 0.155 0.000 1.265 499 Y HN -0.185 nan 8.280 nan 0.000 0.572 500 E N 2.143 122.464 120.200 0.201 0.000 2.221 500 E HA 0.056 4.702 4.350 0.493 0.000 0.268 500 E C 0.726 177.403 176.600 0.129 0.000 0.933 500 E CA -0.781 55.696 56.400 0.127 0.000 0.809 500 E CB 1.457 31.201 29.700 0.073 0.000 1.190 500 E HN 0.633 nan 8.360 nan 0.000 0.406 501 E N 2.180 122.416 120.200 0.059 0.000 2.130 501 E HA -0.174 4.471 4.350 0.493 0.000 0.196 501 E C 1.359 177.995 176.600 0.061 0.000 0.998 501 E CA 1.508 57.922 56.400 0.024 0.000 0.806 501 E CB -0.210 29.458 29.700 -0.053 0.000 0.738 501 E HN 0.777 nan 8.360 nan 0.000 0.459 502 G N 0.257 109.092 108.800 0.057 0.000 3.061 502 G HA2 -0.114 4.141 3.960 0.493 0.000 0.208 502 G HA3 -0.114 4.141 3.960 0.493 0.000 0.208 502 G C 0.687 175.628 174.900 0.068 0.000 1.175 502 G CA 0.166 45.299 45.100 0.056 0.000 0.812 502 G HN 0.163 nan 8.290 nan 0.000 0.523 503 D N 0.250 120.714 120.400 0.106 0.000 2.346 503 D HA 0.094 5.030 4.640 0.493 0.000 0.206 503 D C 1.500 177.851 176.300 0.086 0.000 1.001 503 D CA 0.366 54.464 54.000 0.163 0.000 0.871 503 D CB 0.273 41.263 40.800 0.316 0.000 0.943 503 D HN 0.496 nan 8.370 nan 0.000 0.518 504 M N -0.327 119.223 119.600 -0.083 0.000 2.535 504 M HA 0.680 5.455 4.480 0.493 0.000 0.314 504 M C -0.800 175.390 176.300 -0.183 0.000 1.153 504 M CA -0.922 54.146 55.300 -0.387 0.000 0.924 504 M CB 2.957 35.151 32.600 -0.675 0.000 1.710 504 M HN -0.390 nan 8.290 nan 0.000 0.451 505 E N 1.338 121.400 120.200 -0.230 0.000 2.234 505 E HA 0.539 5.184 4.350 0.493 0.000 0.266 505 E C -1.928 174.512 176.600 -0.266 0.000 0.877 505 E CA -0.738 55.564 56.400 -0.163 0.000 0.758 505 E CB 2.388 32.040 29.700 -0.081 0.000 1.170 505 E HN 0.631 nan 8.360 nan 0.000 0.415 506 V N 6.662 126.372 119.914 -0.339 0.000 2.320 506 V HA 0.290 4.706 4.120 0.493 0.000 0.265 506 V C 0.263 176.243 176.094 -0.189 0.000 1.048 506 V CA -0.397 61.633 62.300 -0.450 0.000 0.865 506 V CB -0.328 31.018 31.823 -0.795 0.000 1.043 506 V HN 0.607 nan 8.190 nan 0.000 0.474 507 I N 1.001 121.522 120.570 -0.083 0.000 2.566 507 I HA 0.586 5.051 4.170 0.493 0.000 0.303 507 I C 0.188 176.381 176.117 0.127 0.000 0.983 507 I CA -0.602 60.718 61.300 0.033 0.000 1.235 507 I CB 1.156 39.185 38.000 0.047 0.000 1.386 507 I HN 0.529 nan 8.210 nan 0.000 0.494 508 D N 2.437 122.919 120.400 0.136 0.000 2.699 508 D HA -0.290 4.646 4.640 0.493 0.000 0.239 508 D C -0.963 175.465 176.300 0.213 0.000 1.136 508 D CA 1.037 55.140 54.000 0.172 0.000 0.668 508 D CB -1.154 39.790 40.800 0.240 0.000 1.060 508 D HN 0.768 nan 8.370 nan 0.000 0.429 509 Y N -0.049 120.263 120.300 0.020 0.000 2.417 509 Y HA 0.433 5.280 4.550 0.495 0.000 0.336 509 Y C -0.041 175.869 175.900 0.017 0.000 0.961 509 Y CA -0.676 57.427 58.100 0.005 0.000 1.215 509 Y CB 0.919 39.359 38.460 -0.033 0.000 1.120 509 Y HN 0.118 nan 8.280 nan 0.000 0.499 510 A N 9.010 131.726 122.820 -0.173 0.000 3.165 510 A HA 0.399 5.014 4.320 0.493 0.000 0.331 510 A C -2.752 174.630 177.584 -0.336 0.000 1.034 510 A CA -1.510 50.393 52.037 -0.223 0.000 0.906 510 A CB -0.450 18.493 19.000 -0.095 0.000 1.054 510 A HN 0.567 nan 8.150 nan 0.000 0.484 511 P HA 0.170 nan 4.420 nan 0.000 0.274 511 P C -0.727 176.484 177.300 -0.148 0.000 1.246 511 P CA 0.026 62.919 63.100 -0.346 0.000 0.795 511 P CB 0.618 32.002 31.700 -0.527 0.000 1.006 512 Y N 0.339 120.580 120.300 -0.099 0.000 2.379 512 Y HA 0.212 5.057 4.550 0.492 0.000 0.337 512 Y C -1.272 174.603 175.900 -0.041 0.000 1.238 512 Y CA -1.435 56.636 58.100 -0.047 0.000 1.405 512 Y CB -1.190 37.260 38.460 -0.018 0.000 1.310 512 Y HN 0.331 nan 8.280 nan 0.000 0.569 513 P HA 0.073 nan 4.420 nan 0.000 0.270 513 P C -2.426 174.918 177.300 0.072 0.000 1.223 513 P CA -0.825 62.314 63.100 0.065 0.000 0.785 513 P CB -0.107 31.624 31.700 0.051 0.000 0.923 514 P HA -0.029 nan 4.420 nan 0.000 0.267 514 P C -0.439 176.882 177.300 0.035 0.000 1.195 514 P CA 0.467 63.589 63.100 0.036 0.000 0.773 514 P CB 0.004 31.717 31.700 0.022 0.000 0.837 515 I N -0.224 120.361 120.570 0.025 0.000 2.517 515 I HA 0.035 4.501 4.170 0.493 0.000 0.285 515 I C 1.139 177.265 176.117 0.016 0.000 1.106 515 I CA 0.012 61.324 61.300 0.019 0.000 1.402 515 I CB 0.250 38.256 38.000 0.010 0.000 1.399 515 I HN 0.237 nan 8.210 nan 0.000 0.535 516 S N 7.268 122.979 115.700 0.019 0.000 3.397 516 S HA 0.112 4.877 4.470 0.493 0.000 0.242 516 S C 0.864 175.473 174.600 0.014 0.000 1.173 516 S CA -0.307 57.903 58.200 0.017 0.000 1.225 516 S CB -0.784 62.427 63.200 0.018 0.000 1.188 516 S HN 0.553 nan 8.310 nan 0.000 0.459 517 M N 3.108 122.715 119.600 0.012 0.000 3.447 517 M HA 0.057 4.833 4.480 0.493 0.000 0.217 517 M C 0.852 177.160 176.300 0.013 0.000 1.597 517 M CA 0.240 55.547 55.300 0.012 0.000 1.695 517 M CB -0.382 32.223 32.600 0.007 0.000 1.196 517 M HN 0.283 nan 8.290 nan 0.000 0.538 518 K N 0.000 120.408 120.400 0.014 0.000 2.780 518 K HA 0.000 4.616 4.320 0.493 0.000 0.191 518 K CA 0.000 56.295 56.287 0.013 0.000 0.838 518 K CB 0.000 32.508 32.500 0.013 0.000 1.064 518 K HN 0.000 nan 8.250 nan 0.000 0.543