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 2q01_1_C DATA FIRST_RESID 3 DATA SEQUENCE RPLSFHEDRL FPSDPATRSY ARGLYALVKD LPIISPHGHT DPSWFATNAP DATA SEQUENCE FQDATDLLLA PDHYLFRMLY SQGVSLDALK VRSKAGVPDT DPREAWRVFA DATA SEQUENCE SHFYLFRGTP SWVWLNHVFS QVFGFTEFLE ASNADDYFDR ITAALATDAF DATA SEQUENCE RPRALFDRFN IETLATTEGP HESLQHHAAI RESGWGGHVI TAYRPDAVID DATA SEQUENCE FEDERSPRAF ERFAETSGQD VYSWKSYLEA HRLRRQAFID AGATSSDHGH DATA SEQUENCE PTAATADLSD VEAEALFNSL VKGDVTPEKA ELFRAQMLTE MAKMSLDDGL DATA SEQUENCE VMQIHPGSHR NHNVGLLNSH GRDKGADIPM RTEYVDALKP LLTRLGNDPR DATA SEQUENCE LSIILFTLDE TTYSRELAPL AGHYPVLKLG PSWWFHDSPE GMMRFREQVT DATA SEQUENCE ETAGFYNTVG FNDDTRAFLS IPARHDVARR VDSAFLARMV AEHRMDLVEA DATA SEQUENCE EELIVDLTYN LPKKAYKLDQ RPDWARPATL 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 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.406 176.300 0.176 0.000 0.893 3 R CA 0.000 56.169 56.100 0.116 0.000 0.921 3 R CB 0.000 30.353 30.300 0.088 0.000 0.687 4 P HA 0.088 nan 4.420 nan 0.000 0.272 4 P C -0.594 176.874 177.300 0.280 0.000 1.223 4 P CA -0.403 62.813 63.100 0.193 0.000 0.784 4 P CB 0.880 32.669 31.700 0.148 0.000 0.923 5 L N 1.858 123.266 121.223 0.309 0.000 2.288 5 L HA 0.180 4.515 4.340 -0.009 0.000 0.283 5 L C -0.178 176.881 176.870 0.316 0.000 1.072 5 L CA -0.149 54.920 54.840 0.381 0.000 0.862 5 L CB 0.076 42.325 42.059 0.316 0.000 1.245 5 L HN 0.313 nan 8.230 nan 0.000 0.432 6 S N 4.847 120.749 115.700 0.336 0.000 2.404 6 S HA 0.342 4.806 4.470 -0.009 0.000 0.309 6 S C -0.571 174.285 174.600 0.426 0.000 1.076 6 S CA -0.254 58.132 58.200 0.308 0.000 1.095 6 S CB 0.430 63.779 63.200 0.249 0.000 0.972 6 S HN 0.378 nan 8.310 nan 0.000 0.484 7 F N 3.798 123.845 119.950 0.162 0.000 2.359 7 F HA 0.301 4.823 4.527 -0.009 0.000 0.370 7 F C 0.267 176.155 175.800 0.146 0.000 1.077 7 F CA -1.153 56.941 58.000 0.156 0.000 1.136 7 F CB 0.272 39.328 39.000 0.094 0.000 1.387 7 F HN 0.631 nan 8.300 nan 0.000 0.468 8 H N 2.936 121.951 119.070 -0.091 0.000 2.803 8 H HA 0.090 4.640 4.556 -0.009 0.000 0.330 8 H C 1.380 176.619 175.328 -0.147 0.000 1.057 8 H CA 0.501 56.508 56.048 -0.067 0.000 1.458 8 H CB 1.056 30.794 29.762 -0.040 0.000 1.470 8 H HN 0.735 nan 8.280 nan 0.000 0.560 9 E N 1.894 122.112 120.200 0.030 0.000 2.333 9 E HA -0.183 4.162 4.350 -0.009 0.000 0.198 9 E C -0.020 176.665 176.600 0.143 0.000 1.007 9 E CA 1.326 57.775 56.400 0.083 0.000 0.845 9 E CB 0.042 29.788 29.700 0.077 0.000 0.766 9 E HN 0.761 nan 8.360 nan 0.000 0.507 10 D N 0.715 121.279 120.400 0.273 0.000 2.788 10 D HA 0.043 4.678 4.640 -0.009 0.000 0.289 10 D C -0.142 175.987 176.300 -0.285 0.000 1.340 10 D CA -0.693 53.364 54.000 0.096 0.000 0.831 10 D CB 0.055 41.107 40.800 0.420 0.000 1.103 10 D HN 0.155 nan 8.370 nan 0.000 0.476 11 R N 0.767 121.037 120.500 -0.384 0.000 2.679 11 R HA 0.237 4.572 4.340 -0.009 0.000 0.268 11 R C 0.437 176.378 176.300 -0.598 0.000 1.044 11 R CA -0.334 55.518 56.100 -0.412 0.000 1.105 11 R CB 0.524 30.588 30.300 -0.393 0.000 0.989 11 R HN 0.219 nan 8.270 nan 0.000 0.447 12 L N -2.214 118.797 121.223 -0.354 0.000 5.174 12 L HA -0.268 4.067 4.340 -0.009 0.000 0.420 12 L C -0.280 176.503 176.870 -0.145 0.000 0.973 12 L CA 0.693 55.377 54.840 -0.260 0.000 1.381 12 L CB -1.568 40.333 42.059 -0.263 0.000 1.819 12 L HN 0.543 nan 8.230 nan 0.000 0.645 13 F N 1.305 121.207 119.950 -0.081 0.000 2.418 13 F HA 0.455 4.977 4.527 -0.009 0.000 0.341 13 F C -1.198 174.578 175.800 -0.041 0.000 1.120 13 F CA -2.857 55.113 58.000 -0.050 0.000 1.232 13 F CB -0.537 38.433 39.000 -0.049 0.000 1.175 13 F HN -0.275 nan 8.300 nan 0.000 0.569 14 P HA 0.049 nan 4.420 nan 0.000 0.269 14 P C 0.643 177.979 177.300 0.060 0.000 1.215 14 P CA 0.020 63.173 63.100 0.088 0.000 0.780 14 P CB 0.743 32.487 31.700 0.073 0.000 0.898 15 S N 0.600 116.315 115.700 0.024 0.000 2.402 15 S HA -0.135 4.330 4.470 -0.009 0.000 0.229 15 S C 0.610 175.214 174.600 0.006 0.000 1.021 15 S CA 0.651 58.854 58.200 0.005 0.000 0.974 15 S CB -0.975 62.219 63.200 -0.010 0.000 0.800 15 S HN 0.639 nan 8.310 nan 0.000 0.484 16 D N 1.603 122.009 120.400 0.009 0.000 2.570 16 D HA 0.043 4.677 4.640 -0.009 0.000 0.243 16 D C -1.593 174.704 176.300 -0.005 0.000 1.171 16 D CA -1.036 52.966 54.000 0.004 0.000 0.879 16 D CB 1.091 41.896 40.800 0.008 0.000 1.143 16 D HN 0.176 nan 8.370 nan 0.000 0.511 17 P HA -0.102 nan 4.420 nan 0.000 0.217 17 P C 0.944 178.200 177.300 -0.074 0.000 1.151 17 P CA 1.071 64.151 63.100 -0.034 0.000 0.828 17 P CB 0.102 31.785 31.700 -0.029 0.000 0.788 18 A N -0.406 122.371 122.820 -0.071 0.000 1.883 18 A HA -0.211 4.104 4.320 -0.009 0.000 0.217 18 A C 2.221 179.743 177.584 -0.103 0.000 1.186 18 A CA 2.742 54.708 52.037 -0.118 0.000 0.624 18 A CB -1.976 17.001 19.000 -0.039 0.000 0.822 18 A HN 0.188 nan 8.150 nan 0.000 0.444 19 T N -0.928 113.629 114.554 0.006 0.000 2.821 19 T HA -0.113 4.232 4.350 -0.009 0.000 0.267 19 T C 2.028 176.725 174.700 -0.005 0.000 1.046 19 T CA 1.401 63.540 62.100 0.064 0.000 1.139 19 T CB -0.221 68.672 68.868 0.040 0.000 0.871 19 T HN 0.583 nan 8.240 nan 0.000 0.454 20 R N 0.954 121.428 120.500 -0.043 0.000 2.096 20 R HA -0.077 4.258 4.340 -0.009 0.000 0.235 20 R C 2.718 178.907 176.300 -0.185 0.000 1.127 20 R CA 1.625 57.673 56.100 -0.086 0.000 0.968 20 R CB -0.435 29.864 30.300 -0.001 0.000 0.861 20 R HN 0.335 nan 8.270 nan 0.000 0.440 21 S N -0.560 115.036 115.700 -0.173 0.000 2.368 21 S HA -0.165 4.300 4.470 -0.009 0.000 0.225 21 S C 1.798 176.267 174.600 -0.219 0.000 1.030 21 S CA 1.030 59.101 58.200 -0.216 0.000 0.999 21 S CB -0.373 62.662 63.200 -0.274 0.000 0.844 21 S HN 0.559 nan 8.310 nan 0.000 0.459 22 Y N 1.470 121.691 120.300 -0.131 0.000 2.181 22 Y HA -0.055 4.489 4.550 -0.010 0.000 0.288 22 Y C 2.880 178.666 175.900 -0.189 0.000 1.146 22 Y CA 0.757 58.777 58.100 -0.132 0.000 1.164 22 Y CB -0.514 37.877 38.460 -0.116 0.000 0.982 22 Y HN 0.425 nan 8.280 nan 0.000 0.515 23 A N 0.407 123.141 122.820 -0.142 0.000 1.858 23 A HA -0.238 4.077 4.320 -0.009 0.000 0.216 23 A C 2.203 179.422 177.584 -0.609 0.000 1.190 23 A CA 1.799 53.597 52.037 -0.399 0.000 0.617 23 A CB -0.753 17.874 19.000 -0.622 0.000 0.827 23 A HN 0.399 nan 8.150 nan 0.000 0.443 24 R N -0.710 119.352 120.500 -0.730 0.000 2.105 24 R HA -0.143 4.192 4.340 -0.009 0.000 0.239 24 R C 2.219 178.491 176.300 -0.047 0.000 1.135 24 R CA 1.511 57.386 56.100 -0.376 0.000 0.967 24 R CB -0.593 29.606 30.300 -0.170 0.000 0.861 24 R HN 0.513 nan 8.270 nan 0.000 0.442 25 G N 0.502 109.266 108.800 -0.059 0.000 2.403 25 G HA2 -0.183 3.772 3.960 -0.009 0.000 0.216 25 G HA3 -0.183 3.772 3.960 -0.009 0.000 0.216 25 G C 1.439 176.351 174.900 0.019 0.000 1.154 25 G CA 0.275 45.375 45.100 -0.000 0.000 0.784 25 G HN 0.210 nan 8.290 nan 0.000 0.538 26 L N -1.001 120.234 121.223 0.021 0.000 2.072 26 L HA -0.009 4.326 4.340 -0.009 0.000 0.205 26 L C 2.564 179.499 176.870 0.108 0.000 1.079 26 L CA 1.028 55.895 54.840 0.045 0.000 0.752 26 L CB -0.449 41.630 42.059 0.034 0.000 0.906 26 L HN 0.283 nan 8.230 nan 0.000 0.436 27 Y N 0.888 121.203 120.300 0.026 0.000 2.293 27 Y HA -0.201 4.346 4.550 -0.005 0.000 0.291 27 Y C 2.403 178.363 175.900 0.101 0.000 1.137 27 Y CA 0.817 58.991 58.100 0.123 0.000 1.202 27 Y CB -0.306 38.338 38.460 0.306 0.000 0.990 27 Y HN 0.099 nan 8.280 nan 0.000 0.537 28 A N 0.524 123.316 122.820 -0.047 0.000 1.940 28 A HA -0.182 4.132 4.320 -0.009 0.000 0.219 28 A C 2.151 179.656 177.584 -0.131 0.000 1.176 28 A CA 1.886 53.846 52.037 -0.128 0.000 0.631 28 A CB -1.215 17.771 19.000 -0.024 0.000 0.814 28 A HN 0.536 nan 8.150 nan 0.000 0.446 29 L N -1.222 119.959 121.223 -0.070 0.000 2.549 29 L HA -0.030 4.305 4.340 -0.009 0.000 0.229 29 L C 1.532 178.361 176.870 -0.068 0.000 1.158 29 L CA 0.379 55.186 54.840 -0.055 0.000 0.842 29 L CB 0.070 42.116 42.059 -0.022 0.000 0.952 29 L HN 0.266 nan 8.230 nan 0.000 0.452 30 V N -1.331 118.521 119.914 -0.104 0.000 3.309 30 V HA -0.064 4.051 4.120 -0.009 0.000 0.268 30 V C 1.911 177.941 176.094 -0.106 0.000 1.631 30 V CA 0.257 62.522 62.300 -0.058 0.000 1.018 30 V CB 0.709 32.553 31.823 0.036 0.000 0.841 30 V HN 0.405 nan 8.190 nan 0.000 0.418 31 K N -0.198 120.017 120.400 -0.308 0.000 2.211 31 K HA -0.091 4.224 4.320 -0.009 0.000 0.203 31 K C 0.822 177.348 176.600 -0.123 0.000 1.050 31 K CA 1.896 57.967 56.287 -0.360 0.000 0.945 31 K CB 0.005 32.017 32.500 -0.813 0.000 0.732 31 K HN 0.304 nan 8.250 nan 0.000 0.451 32 D N 0.503 120.840 120.400 -0.105 0.000 2.433 32 D HA 0.176 4.811 4.640 -0.009 0.000 0.211 32 D C 0.143 176.415 176.300 -0.047 0.000 1.114 32 D CA -0.148 53.818 54.000 -0.055 0.000 0.837 32 D CB 0.329 41.094 40.800 -0.057 0.000 0.984 32 D HN 0.108 nan 8.370 nan 0.000 0.505 33 L N 2.063 123.255 121.223 -0.052 0.000 2.483 33 L HA 0.110 4.444 4.340 -0.009 0.000 0.276 33 L C -1.889 174.993 176.870 0.019 0.000 1.213 33 L CA -1.178 53.630 54.840 -0.053 0.000 0.843 33 L CB 0.171 42.203 42.059 -0.045 0.000 1.107 33 L HN -0.242 nan 8.230 nan 0.000 0.487 34 P HA 0.080 nan 4.420 nan 0.000 0.270 34 P C -0.609 176.739 177.300 0.080 0.000 1.223 34 P CA -0.050 63.096 63.100 0.077 0.000 0.785 34 P CB 0.460 32.243 31.700 0.138 0.000 0.923 35 I N 2.407 122.943 120.570 -0.057 0.000 2.352 35 I HA 0.168 4.333 4.170 -0.009 0.000 0.290 35 I C 0.327 176.342 176.117 -0.169 0.000 1.036 35 I CA -0.106 61.068 61.300 -0.211 0.000 1.336 35 I CB 0.093 37.835 38.000 -0.430 0.000 1.407 35 I HN 0.121 nan 8.210 nan 0.000 0.497 36 I N 5.809 126.316 120.570 -0.104 0.000 2.312 36 I HA 0.151 4.316 4.170 -0.009 0.000 0.290 36 I C 0.365 176.463 176.117 -0.033 0.000 1.008 36 I CA 0.148 61.404 61.300 -0.072 0.000 1.226 36 I CB 1.372 39.330 38.000 -0.071 0.000 1.371 36 I HN 0.450 nan 8.210 nan 0.000 0.468 37 S N 8.167 123.822 115.700 -0.075 0.000 2.328 37 S HA 0.440 4.905 4.470 -0.009 0.000 0.204 37 S C -1.869 172.651 174.600 -0.134 0.000 1.475 37 S CA -1.340 56.839 58.200 -0.036 0.000 1.148 37 S CB 0.476 63.669 63.200 -0.013 0.000 1.077 37 S HN 0.391 nan 8.310 nan 0.000 0.479 38 P HA 0.139 nan 4.420 nan 0.000 0.255 38 P C -0.294 176.794 177.300 -0.353 0.000 1.248 38 P CA 0.354 63.167 63.100 -0.478 0.000 0.807 38 P CB -0.095 30.910 31.700 -1.158 0.000 1.150 39 H N -0.445 118.416 119.070 -0.349 0.000 2.947 39 H HA 0.563 5.114 4.556 -0.009 0.000 0.354 39 H C -1.080 174.043 175.328 -0.342 0.000 1.085 39 H CA -0.398 55.463 56.048 -0.312 0.000 1.253 39 H CB 2.032 31.630 29.762 -0.274 0.000 1.757 39 H HN 0.083 nan 8.280 nan 0.000 0.523 40 G N 2.439 110.708 108.800 -0.886 0.000 2.451 40 G HA2 0.152 4.106 3.960 -0.009 0.000 0.292 40 G HA3 0.152 4.106 3.960 -0.009 0.000 0.292 40 G C -1.441 172.948 174.900 -0.851 0.000 1.427 40 G CA -0.613 44.039 45.100 -0.747 0.000 0.792 40 G HN 0.675 nan 8.290 nan 0.000 0.498 41 H N 0.484 119.431 119.070 -0.205 0.000 2.562 41 H HA 0.248 4.799 4.556 -0.008 0.000 0.249 41 H C 0.895 176.152 175.328 -0.118 0.000 1.195 41 H CA 0.394 56.340 56.048 -0.169 0.000 0.938 41 H CB 0.282 29.942 29.762 -0.170 0.000 1.891 41 H HN 0.687 nan 8.280 nan 0.000 0.595 42 T N -1.533 113.017 114.554 -0.005 0.000 2.868 42 T HA 0.064 4.409 4.350 -0.009 0.000 0.292 42 T C 0.379 174.852 174.700 -0.379 0.000 1.028 42 T CA -0.720 61.333 62.100 -0.078 0.000 1.059 42 T CB 1.935 70.969 68.868 0.278 0.000 0.991 42 T HN 0.042 nan 8.240 nan 0.000 0.531 43 D N 2.315 122.074 120.400 -1.068 0.000 2.295 43 D HA 0.244 4.879 4.640 -0.009 0.000 0.248 43 D C -1.194 174.675 176.300 -0.719 0.000 1.154 43 D CA -2.405 50.944 54.000 -1.085 0.000 0.857 43 D CB 1.606 41.273 40.800 -1.888 0.000 1.117 43 D HN 0.295 nan 8.370 nan 0.000 0.468 44 P HA -0.095 nan 4.420 nan 0.000 0.229 44 P C 1.038 178.134 177.300 -0.340 0.000 1.160 44 P CA 0.514 63.444 63.100 -0.282 0.000 0.777 44 P CB 0.161 31.514 31.700 -0.578 0.000 0.814 45 S N -2.493 112.836 115.700 -0.618 0.000 2.515 45 S HA -0.072 4.393 4.470 -0.009 0.000 0.231 45 S C 1.631 176.019 174.600 -0.352 0.000 0.987 45 S CA -0.044 57.755 58.200 -0.669 0.000 0.936 45 S CB -1.098 61.502 63.200 -1.000 0.000 0.766 45 S HN 0.042 nan 8.310 nan 0.000 0.528 46 W N 1.353 122.340 121.300 -0.522 0.000 2.381 46 W HA 0.216 4.871 4.660 -0.009 0.000 0.301 46 W C 1.514 177.536 176.519 -0.827 0.000 1.205 46 W CA -0.052 56.842 57.345 -0.753 0.000 1.285 46 W CB -1.256 27.610 29.460 -0.991 0.000 1.133 46 W HN 0.399 nan 8.180 nan 0.000 0.521 47 F N -0.442 119.417 119.950 -0.152 0.000 2.698 47 F HA 0.222 4.744 4.527 -0.008 0.000 0.295 47 F C 2.303 177.923 175.800 -0.301 0.000 1.124 47 F CA 0.787 58.592 58.000 -0.325 0.000 1.426 47 F CB -1.025 37.797 39.000 -0.297 0.000 1.120 47 F HN -0.200 nan 8.300 nan 0.000 0.583 48 A N 0.418 123.194 122.820 -0.074 0.000 1.874 48 A HA -0.114 4.201 4.320 -0.009 0.000 0.214 48 A C 2.266 179.797 177.584 -0.088 0.000 1.189 48 A CA 2.049 54.053 52.037 -0.056 0.000 0.615 48 A CB -1.206 17.798 19.000 0.006 0.000 0.830 48 A HN 0.347 nan 8.150 nan 0.000 0.443 49 T N -4.185 110.294 114.554 -0.125 0.000 3.035 49 T HA 0.035 4.379 4.350 -0.009 0.000 0.259 49 T C 0.885 175.477 174.700 -0.181 0.000 1.078 49 T CA 0.813 62.836 62.100 -0.128 0.000 1.132 49 T CB -0.319 68.477 68.868 -0.120 0.000 0.900 49 T HN 0.406 nan 8.240 nan 0.000 0.480 50 N N 1.416 119.966 118.700 -0.250 0.000 2.708 50 N HA -0.159 4.576 4.740 -0.009 0.000 0.249 50 N C -0.109 175.222 175.510 -0.299 0.000 1.097 50 N CA 0.576 53.440 53.050 -0.310 0.000 0.710 50 N CB -1.546 36.760 38.487 -0.301 0.000 1.032 50 N HN 0.942 nan 8.380 nan 0.000 0.551 51 A N -0.074 122.560 122.820 -0.311 0.000 2.388 51 A HA 0.559 4.874 4.320 -0.009 0.000 0.257 51 A C -1.903 175.416 177.584 -0.443 0.000 1.095 51 A CA -0.843 51.016 52.037 -0.296 0.000 0.791 51 A CB 0.339 19.199 19.000 -0.234 0.000 1.029 51 A HN 0.260 nan 8.150 nan 0.000 0.489 52 P HA 0.276 nan 4.420 nan 0.000 0.272 52 P C -0.691 176.350 177.300 -0.432 0.000 1.223 52 P CA 0.025 62.918 63.100 -0.345 0.000 0.784 52 P CB 0.215 31.821 31.700 -0.156 0.000 0.923 53 F N 0.085 119.937 119.950 -0.164 0.000 2.382 53 F HA 0.175 4.697 4.527 -0.009 0.000 0.331 53 F C 2.047 177.771 175.800 -0.127 0.000 1.121 53 F CA 0.243 58.139 58.000 -0.173 0.000 1.183 53 F CB 0.430 39.313 39.000 -0.195 0.000 1.207 53 F HN 0.417 nan 8.300 nan 0.000 0.555 54 Q N -0.004 119.845 119.800 0.081 0.000 2.141 54 Q HA 0.164 4.499 4.340 -0.009 0.000 0.194 54 Q C -0.546 175.419 176.000 -0.058 0.000 0.975 54 Q CA 0.373 56.176 55.803 -0.000 0.000 0.834 54 Q CB 0.065 28.808 28.738 0.009 0.000 0.916 54 Q HN 0.465 nan 8.270 nan 0.000 0.484 55 D N -0.148 120.231 120.400 -0.035 0.000 2.442 55 D HA 0.406 5.041 4.640 -0.009 0.000 0.254 55 D C 0.471 176.672 176.300 -0.165 0.000 1.069 55 D CA -0.032 53.899 54.000 -0.114 0.000 1.017 55 D CB 1.265 42.132 40.800 0.112 0.000 1.172 55 D HN 0.241 nan 8.370 nan 0.000 0.561 56 A N -0.038 122.591 122.820 -0.318 0.000 1.898 56 A HA -0.124 4.191 4.320 -0.009 0.000 0.216 56 A C 1.977 179.579 177.584 0.030 0.000 1.181 56 A CA 1.723 53.568 52.037 -0.321 0.000 0.620 56 A CB -0.827 17.650 19.000 -0.872 0.000 0.819 56 A HN 0.563 nan 8.150 nan 0.000 0.442 57 T N 0.014 114.708 114.554 0.234 0.000 2.708 57 T HA -0.131 4.214 4.350 -0.009 0.000 0.266 57 T C 1.454 176.256 174.700 0.169 0.000 1.037 57 T CA 1.746 64.018 62.100 0.287 0.000 1.146 57 T CB -0.452 68.599 68.868 0.304 0.000 0.865 57 T HN 0.472 nan 8.240 nan 0.000 0.435 58 D N 0.157 120.635 120.400 0.129 0.000 2.310 58 D HA 0.023 4.658 4.640 -0.009 0.000 0.212 58 D C 1.661 177.998 176.300 0.062 0.000 0.965 58 D CA 0.254 54.318 54.000 0.107 0.000 0.879 58 D CB -0.014 40.850 40.800 0.107 0.000 0.921 58 D HN 0.211 nan 8.370 nan 0.000 0.510 59 L N -1.094 120.125 121.223 -0.007 0.000 2.362 59 L HA 0.242 4.577 4.340 -0.009 0.000 0.204 59 L C 1.346 178.172 176.870 -0.074 0.000 1.060 59 L CA 0.907 55.655 54.840 -0.153 0.000 0.827 59 L CB 0.232 42.131 42.059 -0.267 0.000 1.027 59 L HN -0.028 nan 8.230 nan 0.000 0.474 60 L N -1.618 119.615 121.223 0.017 0.000 2.500 60 L HA 0.146 4.481 4.340 -0.009 0.000 0.219 60 L C 1.791 178.656 176.870 -0.009 0.000 1.057 60 L CA 0.173 55.028 54.840 0.026 0.000 0.854 60 L CB 0.156 42.288 42.059 0.121 0.000 1.078 60 L HN 0.273 nan 8.230 nan 0.000 0.480 61 L N 0.036 121.287 121.223 0.047 0.000 2.356 61 L HA 0.313 4.648 4.340 -0.009 0.000 0.193 61 L C 2.481 179.457 176.870 0.176 0.000 1.087 61 L CA 1.737 56.573 54.840 -0.007 0.000 0.817 61 L CB -0.558 41.502 42.059 0.002 0.000 1.035 61 L HN 0.017 nan 8.230 nan 0.000 0.482 62 A N 0.775 123.709 122.820 0.189 0.000 1.902 62 A HA -0.024 4.291 4.320 -0.009 0.000 0.217 62 A C -0.407 177.366 177.584 0.316 0.000 1.181 62 A CA 1.877 54.043 52.037 0.215 0.000 0.623 62 A CB -2.050 17.036 19.000 0.144 0.000 0.818 62 A HN 0.554 nan 8.150 nan 0.000 0.443 63 P HA 0.103 nan 4.420 nan 0.000 0.251 63 P C -0.606 176.879 177.300 0.308 0.000 1.223 63 P CA 0.482 63.765 63.100 0.305 0.000 0.796 63 P CB -0.088 31.766 31.700 0.256 0.000 1.068 64 D N 0.173 120.713 120.400 0.233 0.000 2.412 64 D HA 0.062 4.697 4.640 -0.009 0.000 0.224 64 D C 1.279 177.394 176.300 -0.308 0.000 1.093 64 D CA -0.511 53.512 54.000 0.039 0.000 0.850 64 D CB 0.443 41.247 40.800 0.008 0.000 1.046 64 D HN 0.195 nan 8.370 nan 0.000 0.507 65 H N 1.851 120.614 119.070 -0.513 0.000 2.495 65 H HA -0.058 4.493 4.556 -0.009 0.000 0.287 65 H C 0.966 175.923 175.328 -0.618 0.000 1.033 65 H CA 1.029 56.388 56.048 -1.148 0.000 1.307 65 H CB -0.323 29.063 29.762 -0.626 0.000 1.401 65 H HN 0.415 nan 8.280 nan 0.000 0.555 66 Y N 0.970 120.905 120.300 -0.609 0.000 2.207 66 Y HA -0.149 4.397 4.550 -0.008 0.000 0.287 66 Y C 2.288 178.224 175.900 0.059 0.000 1.156 66 Y CA 1.418 59.410 58.100 -0.181 0.000 1.182 66 Y CB -0.055 38.365 38.460 -0.068 0.000 0.979 66 Y HN 0.218 nan 8.280 nan 0.000 0.521 67 L N -1.392 119.916 121.223 0.142 0.000 2.102 67 L HA -0.116 4.219 4.340 -0.009 0.000 0.202 67 L C 2.255 179.377 176.870 0.419 0.000 1.076 67 L CA 1.210 56.244 54.840 0.322 0.000 0.761 67 L CB -0.752 41.334 42.059 0.045 0.000 0.921 67 L HN 0.313 nan 8.230 nan 0.000 0.444 68 F N -0.776 119.337 119.950 0.272 0.000 2.558 68 F HA 0.071 4.593 4.527 -0.008 0.000 0.298 68 F C 2.448 178.381 175.800 0.222 0.000 1.119 68 F CA 0.155 58.291 58.000 0.227 0.000 1.451 68 F CB -0.526 38.561 39.000 0.145 0.000 1.091 68 F HN -0.198 nan 8.300 nan 0.000 0.563 69 R N 0.288 120.914 120.500 0.209 0.000 2.097 69 R HA -0.162 4.173 4.340 -0.009 0.000 0.236 69 R C 2.306 178.753 176.300 0.244 0.000 1.135 69 R CA 2.170 58.415 56.100 0.242 0.000 0.934 69 R CB -0.397 29.998 30.300 0.159 0.000 0.846 69 R HN 0.284 nan 8.270 nan 0.000 0.431 70 M N 0.109 119.825 119.600 0.194 0.000 2.108 70 M HA -0.165 4.310 4.480 -0.009 0.000 0.261 70 M C 2.259 178.557 176.300 -0.003 0.000 1.066 70 M CA 1.559 56.870 55.300 0.018 0.000 1.107 70 M CB -0.647 31.795 32.600 -0.263 0.000 1.356 70 M HN 0.119 nan 8.290 nan 0.000 0.406 71 L N -1.654 119.637 121.223 0.113 0.000 2.072 71 L HA -0.191 4.144 4.340 -0.009 0.000 0.205 71 L C 2.387 179.286 176.870 0.050 0.000 1.079 71 L CA 1.317 56.176 54.840 0.032 0.000 0.752 71 L CB -1.074 41.062 42.059 0.127 0.000 0.906 71 L HN 0.199 nan 8.230 nan 0.000 0.436 72 Y N 0.103 120.440 120.300 0.062 0.000 2.224 72 Y HA -0.311 4.234 4.550 -0.009 0.000 0.289 72 Y C 2.883 178.791 175.900 0.013 0.000 1.146 72 Y CA 1.535 59.662 58.100 0.044 0.000 1.182 72 Y CB -0.346 38.175 38.460 0.101 0.000 0.983 72 Y HN 0.312 nan 8.280 nan 0.000 0.524 73 S N -0.795 114.949 115.700 0.073 0.000 2.442 73 S HA -0.172 4.292 4.470 -0.009 0.000 0.236 73 S C 1.430 175.971 174.600 -0.099 0.000 1.007 73 S CA 1.298 59.485 58.200 -0.021 0.000 0.965 73 S CB -0.258 62.956 63.200 0.023 0.000 0.773 73 S HN 0.594 nan 8.310 nan 0.000 0.504 74 Q N 0.072 119.804 119.800 -0.113 0.000 2.198 74 Q HA 0.318 4.653 4.340 -0.009 0.000 0.209 74 Q C 1.033 176.963 176.000 -0.118 0.000 0.848 74 Q CA 0.519 56.259 55.803 -0.105 0.000 0.974 74 Q CB 0.796 29.475 28.738 -0.098 0.000 1.115 74 Q HN 0.780 nan 8.270 nan 0.000 0.494 75 G N 0.209 108.901 108.800 -0.179 0.000 2.163 75 G HA2 -0.212 3.743 3.960 -0.009 0.000 0.213 75 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.213 75 G C 0.074 174.889 174.900 -0.142 0.000 0.991 75 G CA -0.045 44.954 45.100 -0.169 0.000 0.653 75 G HN 0.182 nan 8.290 nan 0.000 0.518 76 V N 2.411 122.239 119.914 -0.143 0.000 2.432 76 V HA 0.614 4.729 4.120 -0.009 0.000 0.275 76 V C 1.174 177.290 176.094 0.037 0.000 1.043 76 V CA 0.024 62.283 62.300 -0.069 0.000 0.925 76 V CB 1.433 33.183 31.823 -0.122 0.000 0.985 76 V HN 0.909 nan 8.190 nan 0.000 0.466 77 S N 5.455 121.192 115.700 0.061 0.000 2.585 77 S HA 0.281 4.746 4.470 -0.009 0.000 0.273 77 S C 0.833 175.503 174.600 0.116 0.000 1.339 77 S CA -0.657 57.619 58.200 0.127 0.000 1.028 77 S CB 0.898 64.154 63.200 0.092 0.000 0.906 77 S HN 0.397 nan 8.310 nan 0.000 0.528 78 L N 1.296 122.564 121.223 0.074 0.000 2.291 78 L HA 0.017 4.352 4.340 -0.009 0.000 0.214 78 L C 1.916 178.794 176.870 0.014 0.000 1.120 78 L CA 1.299 56.099 54.840 -0.067 0.000 0.799 78 L CB -1.748 40.099 42.059 -0.353 0.000 0.925 78 L HN 0.710 nan 8.230 nan 0.000 0.446 79 D N 0.260 120.709 120.400 0.081 0.000 2.117 79 D HA -0.103 4.532 4.640 -0.009 0.000 0.198 79 D C 2.185 178.520 176.300 0.058 0.000 0.982 79 D CA 1.439 55.486 54.000 0.077 0.000 0.828 79 D CB 0.143 40.991 40.800 0.080 0.000 0.967 79 D HN 0.243 nan 8.370 nan 0.000 0.464 80 A N 0.008 122.865 122.820 0.061 0.000 2.178 80 A HA -0.069 4.246 4.320 -0.009 0.000 0.218 80 A C 1.894 179.522 177.584 0.074 0.000 1.157 80 A CA 0.816 52.891 52.037 0.064 0.000 0.689 80 A CB -0.371 18.668 19.000 0.066 0.000 0.787 80 A HN 0.271 nan 8.150 nan 0.000 0.465 81 L N -2.305 118.958 121.223 0.067 0.000 2.959 81 L HA 0.228 4.563 4.340 -0.009 0.000 0.259 81 L C 0.451 177.360 176.870 0.065 0.000 1.185 81 L CA -0.218 54.672 54.840 0.084 0.000 0.998 81 L CB 0.190 42.308 42.059 0.097 0.000 1.337 81 L HN 0.215 nan 8.230 nan 0.000 0.555 82 K N 0.833 121.263 120.400 0.050 0.000 3.071 82 K HA -0.153 4.162 4.320 -0.009 0.000 0.265 82 K C -0.248 176.365 176.600 0.022 0.000 1.060 82 K CA 0.087 56.403 56.287 0.047 0.000 0.767 82 K CB -1.158 31.385 32.500 0.072 0.000 1.241 82 K HN 0.104 nan 8.250 nan 0.000 0.486 83 V N 1.400 121.291 119.914 -0.039 0.000 2.488 83 V HA 0.080 4.194 4.120 -0.009 0.000 0.277 83 V C 1.120 177.207 176.094 -0.012 0.000 1.046 83 V CA -0.190 62.034 62.300 -0.127 0.000 0.986 83 V CB 1.193 32.728 31.823 -0.480 0.000 0.989 83 V HN 0.230 nan 8.190 nan 0.000 0.475 84 R N 3.685 124.191 120.500 0.011 0.000 2.483 84 R HA 0.063 4.398 4.340 -0.009 0.000 0.329 84 R C 0.604 176.923 176.300 0.032 0.000 0.961 84 R CA 0.231 56.350 56.100 0.030 0.000 1.041 84 R CB 0.157 30.486 30.300 0.048 0.000 0.930 84 R HN 0.859 nan 8.270 nan 0.000 0.413 85 S N 2.642 118.306 115.700 -0.061 0.000 2.686 85 S HA 0.106 4.571 4.470 -0.009 0.000 0.270 85 S C 1.024 175.524 174.600 -0.166 0.000 1.194 85 S CA -0.502 57.526 58.200 -0.286 0.000 0.990 85 S CB 1.473 64.396 63.200 -0.461 0.000 1.029 85 S HN 0.752 nan 8.310 nan 0.000 0.560 86 K N 0.238 120.519 120.400 -0.200 0.000 2.288 86 K HA 0.166 4.481 4.320 -0.009 0.000 0.201 86 K C 1.568 178.120 176.600 -0.080 0.000 1.048 86 K CA 0.893 57.123 56.287 -0.095 0.000 0.956 86 K CB -0.335 32.122 32.500 -0.072 0.000 0.746 86 K HN 0.625 nan 8.250 nan 0.000 0.461 87 A N 0.539 123.292 122.820 -0.112 0.000 2.251 87 A HA 0.314 4.629 4.320 -0.009 0.000 0.209 87 A C 0.673 178.225 177.584 -0.053 0.000 1.187 87 A CA 0.688 52.681 52.037 -0.073 0.000 0.823 87 A CB -0.230 18.724 19.000 -0.078 0.000 0.846 87 A HN 0.409 nan 8.150 nan 0.000 0.486 88 G N -1.748 107.018 108.800 -0.056 0.000 2.498 88 G HA2 0.042 3.997 3.960 -0.009 0.000 0.651 88 G HA3 0.042 3.997 3.960 -0.009 0.000 0.651 88 G C -0.450 174.436 174.900 -0.023 0.000 1.284 88 G CA -0.594 44.490 45.100 -0.027 0.000 0.950 88 G HN 0.865 nan 8.290 nan 0.000 0.511 89 V N 2.186 122.100 119.914 0.001 0.000 2.529 89 V HA 0.351 4.466 4.120 -0.009 0.000 0.292 89 V C -0.989 175.112 176.094 0.012 0.000 1.028 89 V CA -0.342 61.967 62.300 0.015 0.000 1.074 89 V CB 0.508 32.349 31.823 0.031 0.000 0.958 89 V HN 0.711 nan 8.190 nan 0.000 0.481 90 P HA 0.142 nan 4.420 nan 0.000 0.271 90 P C 0.073 177.388 177.300 0.024 0.000 1.244 90 P CA -0.286 62.826 63.100 0.020 0.000 0.793 90 P CB 0.492 32.212 31.700 0.032 0.000 0.984 91 D N -1.909 118.505 120.400 0.023 0.000 2.363 91 D HA -0.032 4.603 4.640 -0.009 0.000 0.226 91 D C 0.051 176.367 176.300 0.026 0.000 1.020 91 D CA 0.777 54.790 54.000 0.022 0.000 0.892 91 D CB -0.573 40.238 40.800 0.019 0.000 0.900 91 D HN 0.320 nan 8.370 nan 0.000 0.531 92 T N 0.735 115.307 114.554 0.030 0.000 2.940 92 T HA -0.043 4.302 4.350 -0.009 0.000 0.309 92 T C 0.220 174.936 174.700 0.027 0.000 1.056 92 T CA -0.348 61.770 62.100 0.031 0.000 1.137 92 T CB 0.915 69.807 68.868 0.040 0.000 0.976 92 T HN -0.014 nan 8.240 nan 0.000 0.547 93 D N 2.689 123.098 120.400 0.014 0.000 2.417 93 D HA 0.091 4.726 4.640 -0.009 0.000 0.250 93 D C -1.421 174.865 176.300 -0.023 0.000 1.166 93 D CA -2.063 51.934 54.000 -0.004 0.000 0.881 93 D CB 1.438 42.224 40.800 -0.023 0.000 1.164 93 D HN 0.148 nan 8.370 nan 0.000 0.467 94 P HA -0.099 nan 4.420 nan 0.000 0.219 94 P C 1.318 178.414 177.300 -0.340 0.000 1.146 94 P CA 0.847 63.947 63.100 0.001 0.000 0.808 94 P CB 0.278 32.086 31.700 0.179 0.000 0.779 95 R N 0.089 120.220 120.500 -0.614 0.000 2.073 95 R HA -0.102 4.233 4.340 -0.009 0.000 0.229 95 R C 1.971 178.070 176.300 -0.335 0.000 1.120 95 R CA 1.169 56.693 56.100 -0.960 0.000 0.967 95 R CB -0.266 29.678 30.300 -0.594 0.000 0.862 95 R HN 0.028 nan 8.270 nan 0.000 0.436 96 E N 0.170 120.278 120.200 -0.152 0.000 2.208 96 E HA -0.094 4.251 4.350 -0.009 0.000 0.193 96 E C 1.743 178.359 176.600 0.026 0.000 0.988 96 E CA 1.042 57.421 56.400 -0.035 0.000 0.828 96 E CB -0.067 29.625 29.700 -0.013 0.000 0.763 96 E HN 0.415 nan 8.360 nan 0.000 0.478 97 A N 1.264 124.107 122.820 0.040 0.000 1.898 97 A HA -0.153 4.162 4.320 -0.009 0.000 0.216 97 A C 2.021 179.717 177.584 0.188 0.000 1.181 97 A CA 0.999 53.102 52.037 0.111 0.000 0.620 97 A CB -0.990 18.080 19.000 0.117 0.000 0.819 97 A HN 0.472 nan 8.150 nan 0.000 0.442 98 W N 0.782 122.071 121.300 -0.019 0.000 2.388 98 W HA -0.164 4.491 4.660 -0.009 0.000 0.294 98 W C 2.196 178.769 176.519 0.091 0.000 1.212 98 W CA 1.790 59.176 57.345 0.069 0.000 1.271 98 W CB -0.181 29.275 29.460 -0.007 0.000 1.126 98 W HN 0.361 nan 8.180 nan 0.000 0.535 99 R N 0.654 121.218 120.500 0.107 0.000 2.091 99 R HA -0.182 4.152 4.340 -0.009 0.000 0.238 99 R C 2.169 178.473 176.300 0.006 0.000 1.136 99 R CA 2.357 58.473 56.100 0.027 0.000 0.959 99 R CB -0.969 29.355 30.300 0.040 0.000 0.856 99 R HN 0.068 nan 8.270 nan 0.000 0.437 100 V N 0.493 120.457 119.914 0.084 0.000 2.343 100 V HA -0.209 3.906 4.120 -0.009 0.000 0.247 100 V C 2.000 178.239 176.094 0.242 0.000 1.051 100 V CA 1.916 64.327 62.300 0.184 0.000 1.036 100 V CB -0.731 31.201 31.823 0.182 0.000 0.654 100 V HN 0.325 nan 8.190 nan 0.000 0.451 101 F N 1.825 121.763 119.950 -0.020 0.000 2.075 101 F HA -0.158 4.364 4.527 -0.009 0.000 0.297 101 F C 2.296 178.010 175.800 -0.144 0.000 1.113 101 F CA 1.542 59.496 58.000 -0.077 0.000 1.218 101 F CB -0.742 38.093 39.000 -0.275 0.000 0.984 101 F HN 0.066 nan 8.300 nan 0.000 0.472 102 A N -0.462 121.990 122.820 -0.614 0.000 1.933 102 A HA -0.161 4.153 4.320 -0.009 0.000 0.218 102 A C 2.314 179.727 177.584 -0.286 0.000 1.175 102 A CA 1.987 53.625 52.037 -0.664 0.000 0.628 102 A CB -1.260 17.384 19.000 -0.595 0.000 0.814 102 A HN 0.455 nan 8.150 nan 0.000 0.444 103 S N -1.058 114.549 115.700 -0.155 0.000 2.447 103 S HA -0.102 4.363 4.470 -0.009 0.000 0.233 103 S C 1.147 175.685 174.600 -0.104 0.000 1.006 103 S CA 1.339 59.473 58.200 -0.111 0.000 0.957 103 S CB -0.348 62.771 63.200 -0.135 0.000 0.773 103 S HN 0.818 nan 8.310 nan 0.000 0.507 104 H N -1.092 117.984 119.070 0.011 0.000 2.592 104 H HA 0.334 4.885 4.556 -0.009 0.000 0.279 104 H C 0.897 176.117 175.328 -0.181 0.000 1.089 104 H CA -0.372 55.628 56.048 -0.080 0.000 1.150 104 H CB 0.057 29.776 29.762 -0.071 0.000 1.575 104 H HN 0.253 nan 8.280 nan 0.000 0.547 105 F N 1.089 120.924 119.950 -0.192 0.000 2.365 105 F HA -0.204 4.317 4.527 -0.009 0.000 0.300 105 F C 1.712 177.611 175.800 0.166 0.000 1.090 105 F CA 0.791 58.705 58.000 -0.144 0.000 1.408 105 F CB -0.368 38.372 39.000 -0.434 0.000 1.060 105 F HN 0.335 nan 8.300 nan 0.000 0.534 106 Y N -1.812 118.506 120.300 0.029 0.000 2.333 106 Y HA -0.124 4.421 4.550 -0.009 0.000 0.290 106 Y C 1.755 177.622 175.900 -0.055 0.000 1.144 106 Y CA 0.775 58.865 58.100 -0.017 0.000 1.228 106 Y CB -1.394 37.061 38.460 -0.009 0.000 0.985 106 Y HN 0.009 nan 8.280 nan 0.000 0.542 107 L N -0.001 120.781 121.223 -0.735 0.000 2.127 107 L HA -0.171 4.164 4.340 -0.009 0.000 0.211 107 L C 1.574 178.166 176.870 -0.463 0.000 1.089 107 L CA 1.413 55.856 54.840 -0.662 0.000 0.757 107 L CB -1.413 40.143 42.059 -0.838 0.000 0.899 107 L HN 0.318 nan 8.230 nan 0.000 0.434 108 F N -0.864 119.002 119.950 -0.141 0.000 2.773 108 F HA 0.106 4.628 4.527 -0.008 0.000 0.304 108 F C 1.198 176.991 175.800 -0.012 0.000 1.129 108 F CA -0.329 57.646 58.000 -0.041 0.000 1.378 108 F CB -0.406 38.596 39.000 0.003 0.000 1.095 108 F HN -0.155 nan 8.300 nan 0.000 0.565 109 R N 0.404 120.928 120.500 0.040 0.000 2.484 109 R HA 0.252 4.587 4.340 -0.009 0.000 0.293 109 R C 1.366 177.563 176.300 -0.172 0.000 1.023 109 R CA 0.922 56.945 56.100 -0.128 0.000 1.037 109 R CB -0.067 30.161 30.300 -0.120 0.000 0.951 109 R HN 0.435 nan 8.270 nan 0.000 0.418 110 G N 1.791 110.408 108.800 -0.304 0.000 2.205 110 G HA2 -0.336 3.619 3.960 -0.009 0.000 0.261 110 G HA3 -0.336 3.619 3.960 -0.009 0.000 0.261 110 G C 0.343 175.183 174.900 -0.100 0.000 0.980 110 G CA 0.526 45.498 45.100 -0.214 0.000 0.632 110 G HN 0.719 nan 8.290 nan 0.000 0.533 111 T N -1.356 113.185 114.554 -0.022 0.000 2.899 111 T HA 0.656 5.001 4.350 -0.009 0.000 0.284 111 T C -0.606 174.055 174.700 -0.066 0.000 1.004 111 T CA -0.869 61.241 62.100 0.017 0.000 1.043 111 T CB 2.396 71.353 68.868 0.149 0.000 1.013 111 T HN -0.006 nan 8.240 nan 0.000 0.518 112 P HA 0.003 nan 4.420 nan 0.000 0.226 112 P C 1.498 178.206 177.300 -0.986 0.000 1.153 112 P CA 0.549 63.215 63.100 -0.723 0.000 0.777 112 P CB -0.061 30.998 31.700 -1.067 0.000 0.794 113 S N -1.101 114.306 115.700 -0.488 0.000 2.399 113 S HA -0.143 4.322 4.470 -0.009 0.000 0.231 113 S C 1.526 176.163 174.600 0.063 0.000 1.022 113 S CA 0.778 58.898 58.200 -0.133 0.000 0.983 113 S CB -0.995 62.218 63.200 0.022 0.000 0.803 113 S HN 0.295 nan 8.310 nan 0.000 0.480 114 W N 2.033 123.310 121.300 -0.037 0.000 2.338 114 W HA -0.199 4.455 4.660 -0.009 0.000 0.304 114 W C 1.911 178.519 176.519 0.147 0.000 1.212 114 W CA 1.327 58.719 57.345 0.078 0.000 1.264 114 W CB -0.337 29.157 29.460 0.055 0.000 1.142 114 W HN 0.025 nan 8.180 nan 0.000 0.512 115 V N -0.376 119.763 119.914 0.376 0.000 2.323 115 V HA -0.282 3.833 4.120 -0.009 0.000 0.244 115 V C 1.991 178.273 176.094 0.314 0.000 1.041 115 V CA 1.790 64.332 62.300 0.403 0.000 1.025 115 V CB -1.262 30.703 31.823 0.237 0.000 0.656 115 V HN 0.246 nan 8.190 nan 0.000 0.451 116 W N 0.065 121.428 121.300 0.106 0.000 2.355 116 W HA -0.017 4.638 4.660 -0.009 0.000 0.309 116 W C 2.286 178.709 176.519 -0.159 0.000 1.206 116 W CA 0.704 58.020 57.345 -0.049 0.000 1.284 116 W CB -1.284 28.105 29.460 -0.118 0.000 1.145 116 W HN 0.244 nan 8.180 nan 0.000 0.502 117 L N 0.328 121.556 121.223 0.008 0.000 2.072 117 L HA -0.161 4.174 4.340 -0.009 0.000 0.205 117 L C 2.154 178.665 176.870 -0.598 0.000 1.079 117 L CA 0.997 55.608 54.840 -0.382 0.000 0.752 117 L CB -0.787 41.075 42.059 -0.327 0.000 0.906 117 L HN -0.085 nan 8.230 nan 0.000 0.436 118 N N -0.826 117.667 118.700 -0.345 0.000 2.381 118 N HA -0.203 4.531 4.740 -0.009 0.000 0.182 118 N C 1.696 176.698 175.510 -0.847 0.000 1.025 118 N CA 1.002 53.772 53.050 -0.467 0.000 0.888 118 N CB -0.236 37.888 38.487 -0.605 0.000 0.965 118 N HN 0.464 nan 8.380 nan 0.000 0.438 119 H N 0.130 118.735 119.070 -0.775 0.000 2.357 119 H HA 0.044 4.594 4.556 -0.009 0.000 0.301 119 H C 1.909 177.076 175.328 -0.268 0.000 1.082 119 H CA 1.247 56.991 56.048 -0.507 0.000 1.342 119 H CB 0.204 29.972 29.762 0.011 0.000 1.389 119 H HN -0.122 nan 8.280 nan 0.000 0.511 120 V N 0.217 120.091 119.914 -0.066 0.000 2.343 120 V HA -0.243 3.872 4.120 -0.009 0.000 0.247 120 V C 2.052 178.229 176.094 0.139 0.000 1.051 120 V CA 1.934 64.198 62.300 -0.060 0.000 1.036 120 V CB -0.683 31.039 31.823 -0.168 0.000 0.654 120 V HN 0.450 nan 8.190 nan 0.000 0.451 121 F N 0.907 120.965 119.950 0.181 0.000 2.102 121 F HA -0.207 4.315 4.527 -0.009 0.000 0.298 121 F C 2.791 178.753 175.800 0.270 0.000 1.105 121 F CA 1.396 59.605 58.000 0.349 0.000 1.239 121 F CB -0.428 38.684 39.000 0.187 0.000 0.991 121 F HN 0.318 nan 8.300 nan 0.000 0.474 122 S N -0.769 115.039 115.700 0.180 0.000 2.406 122 S HA -0.143 4.322 4.470 -0.009 0.000 0.224 122 S C 1.717 176.337 174.600 0.033 0.000 1.030 122 S CA 0.780 59.028 58.200 0.080 0.000 0.958 122 S CB -0.222 62.941 63.200 -0.062 0.000 0.811 122 S HN 0.258 nan 8.310 nan 0.000 0.489 123 Q N 0.208 119.972 119.800 -0.060 0.000 2.373 123 Q HA 0.361 4.696 4.340 -0.009 0.000 0.210 123 Q C 1.912 177.903 176.000 -0.016 0.000 0.913 123 Q CA 0.648 56.406 55.803 -0.076 0.000 0.911 123 Q CB 0.266 28.840 28.738 -0.273 0.000 1.040 123 Q HN 0.493 nan 8.270 nan 0.000 0.521 124 V N -1.024 118.880 119.914 -0.017 0.000 2.672 124 V HA 0.049 4.164 4.120 -0.009 0.000 0.242 124 V C 1.016 177.041 176.094 -0.115 0.000 1.059 124 V CA 1.127 63.364 62.300 -0.106 0.000 1.081 124 V CB -0.151 31.519 31.823 -0.255 0.000 0.752 124 V HN 0.236 nan 8.190 nan 0.000 0.472 125 F N 0.552 120.616 119.950 0.190 0.000 2.731 125 F HA 0.453 4.976 4.527 -0.007 0.000 0.298 125 F C 1.850 177.537 175.800 -0.188 0.000 1.106 125 F CA 0.674 58.693 58.000 0.031 0.000 1.329 125 F CB 0.267 39.292 39.000 0.042 0.000 1.100 125 F HN 0.282 nan 8.300 nan 0.000 0.592 126 G N 1.136 109.984 108.800 0.080 0.000 2.221 126 G HA2 -0.325 3.629 3.960 -0.009 0.000 0.265 126 G HA3 -0.325 3.629 3.960 -0.009 0.000 0.265 126 G C 0.075 174.925 174.900 -0.083 0.000 1.041 126 G CA -0.441 44.655 45.100 -0.007 0.000 0.807 126 G HN 0.237 nan 8.290 nan 0.000 0.502 127 F N -0.666 119.299 119.950 0.026 0.000 2.506 127 F HA 0.466 4.987 4.527 -0.008 0.000 0.351 127 F C 1.739 177.547 175.800 0.013 0.000 1.136 127 F CA 1.299 59.255 58.000 -0.072 0.000 1.298 127 F CB 1.389 40.258 39.000 -0.219 0.000 1.145 127 F HN 0.038 nan 8.300 nan 0.000 0.593 128 T N 0.845 115.546 114.554 0.245 0.000 3.043 128 T HA 0.201 4.545 4.350 -0.009 0.000 0.272 128 T C -0.046 174.783 174.700 0.214 0.000 0.990 128 T CA 0.071 62.284 62.100 0.188 0.000 0.897 128 T CB -0.171 68.768 68.868 0.119 0.000 1.111 128 T HN 0.572 nan 8.240 nan 0.000 0.529 129 E N 0.242 120.595 120.200 0.256 0.000 2.277 129 E HA 0.435 4.780 4.350 -0.009 0.000 0.266 129 E C -1.591 175.187 176.600 0.296 0.000 0.901 129 E CA -0.906 55.651 56.400 0.262 0.000 0.782 129 E CB 1.894 31.732 29.700 0.229 0.000 1.228 129 E HN 0.192 nan 8.360 nan 0.000 0.424 130 F N 2.100 122.127 119.950 0.128 0.000 2.399 130 F HA 0.193 4.715 4.527 -0.009 0.000 0.342 130 F C -0.161 175.590 175.800 -0.081 0.000 1.106 130 F CA -0.682 57.362 58.000 0.073 0.000 1.196 130 F CB 0.575 39.647 39.000 0.119 0.000 1.163 130 F HN 0.299 nan 8.300 nan 0.000 0.547 131 L N 5.903 126.694 121.223 -0.720 0.000 2.500 131 L HA 0.199 4.534 4.340 -0.009 0.000 0.272 131 L C -0.646 176.050 176.870 -0.289 0.000 1.149 131 L CA 0.736 55.010 54.840 -0.944 0.000 0.897 131 L CB -0.292 40.764 42.059 -1.671 0.000 1.178 131 L HN 0.741 nan 8.230 nan 0.000 0.473 132 E N 2.577 122.645 120.200 -0.220 0.000 2.446 132 E HA 0.575 4.920 4.350 -0.009 0.000 0.267 132 E C 0.281 176.818 176.600 -0.106 0.000 0.955 132 E CA -0.327 56.042 56.400 -0.052 0.000 0.842 132 E CB 1.276 31.004 29.700 0.048 0.000 1.504 132 E HN 0.538 nan 8.360 nan 0.000 0.438 133 A N 0.255 123.043 122.820 -0.054 0.000 1.968 133 A HA -0.131 4.184 4.320 -0.009 0.000 0.217 133 A C 1.971 179.548 177.584 -0.012 0.000 1.169 133 A CA 1.919 53.928 52.037 -0.047 0.000 0.638 133 A CB -0.678 18.298 19.000 -0.040 0.000 0.812 133 A HN 0.469 nan 8.150 nan 0.000 0.446 134 S N -0.126 115.575 115.700 0.001 0.000 2.428 134 S HA -0.094 4.371 4.470 -0.009 0.000 0.230 134 S C 1.552 176.178 174.600 0.043 0.000 1.014 134 S CA 1.260 59.474 58.200 0.023 0.000 0.957 134 S CB -0.387 62.829 63.200 0.026 0.000 0.784 134 S HN 0.491 nan 8.310 nan 0.000 0.499 135 N N 1.419 120.139 118.700 0.034 0.000 2.353 135 N HA 0.359 5.094 4.740 -0.009 0.000 0.185 135 N C 1.528 177.104 175.510 0.110 0.000 1.098 135 N CA 0.637 53.731 53.050 0.074 0.000 0.872 135 N CB -0.178 38.332 38.487 0.038 0.000 0.970 135 N HN 0.462 nan 8.380 nan 0.000 0.467 136 A N 0.731 123.594 122.820 0.072 0.000 1.865 136 A HA -0.159 4.156 4.320 -0.009 0.000 0.217 136 A C 1.793 179.594 177.584 0.361 0.000 1.191 136 A CA 1.734 53.877 52.037 0.176 0.000 0.623 136 A CB -0.549 18.506 19.000 0.093 0.000 0.826 136 A HN 0.250 nan 8.150 nan 0.000 0.444 137 D N -0.696 119.843 120.400 0.231 0.000 2.178 137 D HA -0.121 4.514 4.640 -0.009 0.000 0.202 137 D C 1.578 177.995 176.300 0.194 0.000 0.974 137 D CA 1.559 55.688 54.000 0.214 0.000 0.841 137 D CB -0.399 40.480 40.800 0.132 0.000 0.953 137 D HN 0.568 nan 8.370 nan 0.000 0.478 138 D N -0.488 120.015 120.400 0.172 0.000 2.117 138 D HA -0.200 4.434 4.640 -0.009 0.000 0.197 138 D C 1.903 178.287 176.300 0.139 0.000 0.987 138 D CA 0.980 55.063 54.000 0.138 0.000 0.829 138 D CB -0.110 40.775 40.800 0.142 0.000 0.961 138 D HN 0.149 nan 8.370 nan 0.000 0.460 139 Y N -0.626 119.668 120.300 -0.010 0.000 2.145 139 Y HA -0.098 4.447 4.550 -0.009 0.000 0.286 139 Y C 2.128 177.856 175.900 -0.287 0.000 1.145 139 Y CA 1.509 59.494 58.100 -0.190 0.000 1.148 139 Y CB -0.649 37.667 38.460 -0.241 0.000 0.981 139 Y HN 0.057 nan 8.280 nan 0.000 0.507 140 F N 1.483 121.246 119.950 -0.311 0.000 2.046 140 F HA -0.284 4.238 4.527 -0.008 0.000 0.297 140 F C 2.176 177.739 175.800 -0.396 0.000 1.123 140 F CA 2.066 59.676 58.000 -0.649 0.000 1.199 140 F CB -0.356 38.362 39.000 -0.470 0.000 0.972 140 F HN 0.247 nan 8.300 nan 0.000 0.474 141 D N -0.878 119.379 120.400 -0.237 0.000 2.269 141 D HA -0.115 4.520 4.640 -0.009 0.000 0.208 141 D C 1.968 178.088 176.300 -0.301 0.000 0.963 141 D CA 0.785 54.608 54.000 -0.296 0.000 0.864 141 D CB -0.676 40.081 40.800 -0.071 0.000 0.936 141 D HN 0.258 nan 8.370 nan 0.000 0.505 142 R N 0.266 120.617 120.500 -0.248 0.000 2.148 142 R HA 0.086 4.421 4.340 -0.009 0.000 0.223 142 R C 2.259 178.303 176.300 -0.427 0.000 1.088 142 R CA 1.055 56.989 56.100 -0.276 0.000 0.985 142 R CB -0.189 29.982 30.300 -0.215 0.000 0.880 142 R HN 0.461 nan 8.270 nan 0.000 0.451 143 I N -2.735 117.505 120.570 -0.551 0.000 3.228 143 I HA 0.047 4.212 4.170 -0.009 0.000 0.279 143 I C 1.313 177.054 176.117 -0.625 0.000 1.221 143 I CA 0.729 61.557 61.300 -0.787 0.000 1.458 143 I CB -0.408 36.861 38.000 -1.218 0.000 1.105 143 I HN -0.185 nan 8.210 nan 0.000 0.445 144 T N 2.112 116.273 114.554 -0.655 0.000 2.708 144 T HA -0.039 4.306 4.350 -0.009 0.000 0.266 144 T C 2.217 176.697 174.700 -0.366 0.000 1.037 144 T CA 1.858 63.624 62.100 -0.555 0.000 1.146 144 T CB -0.273 68.154 68.868 -0.736 0.000 0.865 144 T HN 0.561 nan 8.240 nan 0.000 0.435 145 A N 1.419 124.037 122.820 -0.338 0.000 1.933 145 A HA 0.184 4.499 4.320 -0.009 0.000 0.218 145 A C 2.632 180.071 177.584 -0.241 0.000 1.175 145 A CA 1.753 53.645 52.037 -0.241 0.000 0.628 145 A CB -1.038 17.838 19.000 -0.206 0.000 0.814 145 A HN 0.506 nan 8.150 nan 0.000 0.444 146 A N -0.313 122.302 122.820 -0.341 0.000 1.930 146 A HA -0.000 4.315 4.320 -0.009 0.000 0.217 146 A C 2.090 179.389 177.584 -0.475 0.000 1.175 146 A CA 1.399 53.160 52.037 -0.460 0.000 0.627 146 A CB -0.540 18.070 19.000 -0.651 0.000 0.815 146 A HN 0.469 nan 8.150 nan 0.000 0.443 147 L N -0.929 120.092 121.223 -0.338 0.000 2.275 147 L HA -0.108 4.227 4.340 -0.009 0.000 0.215 147 L C 2.829 179.679 176.870 -0.033 0.000 1.119 147 L CA 0.732 55.509 54.840 -0.106 0.000 0.790 147 L CB -0.332 41.696 42.059 -0.051 0.000 0.919 147 L HN 0.428 nan 8.230 nan 0.000 0.443 148 A N -0.465 122.302 122.820 -0.088 0.000 2.119 148 A HA -0.030 4.285 4.320 -0.009 0.000 0.216 148 A C 1.407 178.975 177.584 -0.026 0.000 1.152 148 A CA 0.970 52.970 52.037 -0.062 0.000 0.708 148 A CB -0.733 18.217 19.000 -0.084 0.000 0.805 148 A HN 0.444 nan 8.150 nan 0.000 0.460 149 T N -3.528 111.028 114.554 0.003 0.000 2.828 149 T HA 0.274 4.619 4.350 -0.009 0.000 0.290 149 T C 0.411 175.165 174.700 0.090 0.000 1.019 149 T CA 0.165 62.296 62.100 0.052 0.000 1.031 149 T CB 0.982 69.905 68.868 0.091 0.000 1.001 149 T HN 0.074 nan 8.240 nan 0.000 0.531 150 D N 0.543 120.977 120.400 0.058 0.000 2.277 150 D HA 0.149 4.784 4.640 -0.009 0.000 0.208 150 D C 2.146 178.462 176.300 0.028 0.000 0.962 150 D CA 0.975 54.990 54.000 0.025 0.000 0.865 150 D CB -0.402 40.398 40.800 0.001 0.000 0.939 150 D HN 0.728 nan 8.370 nan 0.000 0.510 151 A N -0.802 122.057 122.820 0.064 0.000 2.119 151 A HA -0.028 4.287 4.320 -0.009 0.000 0.217 151 A C 1.163 178.654 177.584 -0.154 0.000 1.153 151 A CA 0.473 52.488 52.037 -0.037 0.000 0.692 151 A CB -0.446 18.529 19.000 -0.042 0.000 0.799 151 A HN 0.181 nan 8.150 nan 0.000 0.458 152 F N 0.432 120.367 119.950 -0.025 0.000 2.668 152 F HA 0.252 4.775 4.527 -0.007 0.000 0.297 152 F C 0.788 176.602 175.800 0.023 0.000 1.124 152 F CA -0.433 57.573 58.000 0.010 0.000 1.353 152 F CB 0.301 39.335 39.000 0.057 0.000 0.992 152 F HN -0.057 nan 8.300 nan 0.000 0.524 153 R N 0.742 121.276 120.500 0.056 0.000 2.490 153 R HA 0.133 4.468 4.340 -0.009 0.000 0.280 153 R C -1.539 174.733 176.300 -0.047 0.000 1.077 153 R CA -1.594 54.469 56.100 -0.061 0.000 1.065 153 R CB 0.017 30.248 30.300 -0.114 0.000 1.003 153 R HN -0.002 nan 8.270 nan 0.000 0.470 154 P HA -0.169 nan 4.420 nan 0.000 0.216 154 P C 0.931 178.318 177.300 0.146 0.000 1.154 154 P CA 1.644 64.678 63.100 -0.109 0.000 0.865 154 P CB 0.168 31.500 31.700 -0.613 0.000 0.789 155 R N -0.936 119.487 120.500 -0.129 0.000 2.090 155 R HA 0.019 4.354 4.340 -0.009 0.000 0.228 155 R C 2.313 178.666 176.300 0.088 0.000 1.110 155 R CA 1.338 57.260 56.100 -0.295 0.000 0.973 155 R CB -0.909 28.767 30.300 -1.039 0.000 0.869 155 R HN 0.149 nan 8.270 nan 0.000 0.440 156 A N 1.176 123.995 122.820 -0.001 0.000 1.898 156 A HA -0.108 4.207 4.320 -0.009 0.000 0.216 156 A C 2.136 179.685 177.584 -0.058 0.000 1.181 156 A CA 1.089 53.125 52.037 -0.002 0.000 0.620 156 A CB -0.437 18.520 19.000 -0.071 0.000 0.819 156 A HN 0.160 nan 8.150 nan 0.000 0.442 157 L N -2.277 118.889 121.223 -0.095 0.000 2.093 157 L HA -0.112 4.223 4.340 -0.009 0.000 0.208 157 L C 2.422 179.087 176.870 -0.342 0.000 1.085 157 L CA 1.352 55.913 54.840 -0.463 0.000 0.755 157 L CB -0.500 41.358 42.059 -0.335 0.000 0.904 157 L HN 0.494 nan 8.230 nan 0.000 0.435 158 F N 1.251 121.342 119.950 0.234 0.000 2.126 158 F HA -0.303 4.219 4.527 -0.009 0.000 0.299 158 F C 2.142 178.082 175.800 0.235 0.000 1.096 158 F CA 1.864 60.128 58.000 0.439 0.000 1.255 158 F CB -0.030 39.349 39.000 0.632 0.000 0.997 158 F HN 0.157 nan 8.300 nan 0.000 0.479 159 D N -0.500 120.169 120.400 0.449 0.000 2.149 159 D HA -0.119 4.516 4.640 -0.009 0.000 0.201 159 D C 2.321 178.672 176.300 0.084 0.000 0.972 159 D CA 0.746 54.918 54.000 0.285 0.000 0.835 159 D CB -0.456 40.517 40.800 0.289 0.000 0.966 159 D HN 0.219 nan 8.370 nan 0.000 0.476 160 R N -0.067 120.403 120.500 -0.050 0.000 2.115 160 R HA -0.067 4.268 4.340 -0.009 0.000 0.230 160 R C 1.455 177.774 176.300 0.032 0.000 1.111 160 R CA 0.652 56.692 56.100 -0.099 0.000 0.976 160 R CB -0.156 29.983 30.300 -0.269 0.000 0.870 160 R HN 0.129 nan 8.270 nan 0.000 0.445 161 F N 0.596 120.502 119.950 -0.073 0.000 2.748 161 F HA 0.080 4.601 4.527 -0.010 0.000 0.299 161 F C 0.992 176.707 175.800 -0.142 0.000 1.154 161 F CA 0.127 58.044 58.000 -0.138 0.000 1.446 161 F CB -1.027 37.835 39.000 -0.229 0.000 1.112 161 F HN 0.200 nan 8.300 nan 0.000 0.584 162 N N 0.758 119.491 118.700 0.055 0.000 2.754 162 N HA -0.223 4.512 4.740 -0.009 0.000 0.248 162 N C -0.454 174.999 175.510 -0.094 0.000 1.093 162 N CA -0.183 52.864 53.050 -0.006 0.000 0.699 162 N CB -0.998 37.496 38.487 0.012 0.000 1.016 162 N HN 0.128 nan 8.380 nan 0.000 0.552 163 I N 1.008 121.420 120.570 -0.263 0.000 2.452 163 I HA -0.015 4.150 4.170 -0.009 0.000 0.287 163 I C 1.554 177.514 176.117 -0.262 0.000 1.079 163 I CA 0.248 61.279 61.300 -0.448 0.000 1.387 163 I CB 1.176 38.569 38.000 -1.012 0.000 1.404 163 I HN 0.302 nan 8.210 nan 0.000 0.522 164 E N 3.627 123.773 120.200 -0.091 0.000 2.102 164 E HA 0.028 4.372 4.350 -0.009 0.000 0.190 164 E C -0.127 176.549 176.600 0.126 0.000 0.971 164 E CA 0.774 57.197 56.400 0.038 0.000 0.821 164 E CB 0.573 30.308 29.700 0.058 0.000 0.777 164 E HN 0.669 nan 8.360 nan 0.000 0.460 165 T N 0.739 115.337 114.554 0.072 0.000 2.921 165 T HA 0.492 4.837 4.350 -0.009 0.000 0.297 165 T C -1.496 173.218 174.700 0.024 0.000 1.013 165 T CA -0.604 61.557 62.100 0.102 0.000 0.990 165 T CB 1.902 70.826 68.868 0.092 0.000 1.023 165 T HN 0.059 nan 8.240 nan 0.000 0.447 166 L N 3.018 124.273 121.223 0.052 0.000 2.406 166 L HA 0.856 5.191 4.340 -0.009 0.000 0.272 166 L C -0.881 175.985 176.870 -0.006 0.000 0.980 166 L CA -0.462 54.416 54.840 0.063 0.000 0.831 166 L CB 1.319 43.532 42.059 0.257 0.000 1.253 166 L HN 0.792 nan 8.230 nan 0.000 0.406 167 A N 2.837 125.629 122.820 -0.047 0.000 2.288 167 A HA 0.747 5.062 4.320 -0.009 0.000 0.320 167 A C 0.015 177.552 177.584 -0.078 0.000 1.217 167 A CA 0.001 51.999 52.037 -0.065 0.000 0.840 167 A CB 0.647 19.584 19.000 -0.105 0.000 1.179 167 A HN 0.763 nan 8.150 nan 0.000 0.504 168 T N -0.525 114.025 114.554 -0.007 0.000 2.927 168 T HA 0.705 5.050 4.350 -0.009 0.000 0.281 168 T C -0.065 174.602 174.700 -0.056 0.000 0.998 168 T CA -0.459 61.626 62.100 -0.026 0.000 1.019 168 T CB 1.276 70.197 68.868 0.089 0.000 1.061 168 T HN 0.449 nan 8.240 nan 0.000 0.518 169 T N 2.612 117.125 114.554 -0.070 0.000 2.791 169 T HA 0.524 4.869 4.350 -0.009 0.000 0.288 169 T C -0.826 173.903 174.700 0.048 0.000 0.999 169 T CA -0.806 61.281 62.100 -0.023 0.000 0.952 169 T CB 1.015 69.841 68.868 -0.070 0.000 0.938 169 T HN 0.638 nan 8.240 nan 0.000 0.444 170 E N 1.603 121.871 120.200 0.113 0.000 2.288 170 E HA 0.569 4.914 4.350 -0.009 0.000 0.268 170 E C 0.167 176.833 176.600 0.110 0.000 0.885 170 E CA -0.882 55.586 56.400 0.113 0.000 0.767 170 E CB 2.339 32.100 29.700 0.101 0.000 1.220 170 E HN 0.673 nan 8.360 nan 0.000 0.427 171 G N 1.006 109.763 108.800 -0.071 0.000 2.528 171 G HA2 0.339 4.294 3.960 -0.009 0.000 0.289 171 G HA3 0.339 4.294 3.960 -0.009 0.000 0.289 171 G C -1.846 172.970 174.900 -0.140 0.000 1.192 171 G CA -1.189 43.783 45.100 -0.215 0.000 0.921 171 G HN 0.227 nan 8.290 nan 0.000 0.512 172 P HA -0.056 nan 4.420 nan 0.000 0.229 172 P C 1.188 178.585 177.300 0.163 0.000 1.160 172 P CA 1.013 64.115 63.100 0.002 0.000 0.777 172 P CB 0.044 31.579 31.700 -0.275 0.000 0.814 173 H N -0.737 118.334 119.070 0.001 0.000 2.551 173 H HA 0.156 4.707 4.556 -0.008 0.000 0.266 173 H C 0.189 175.568 175.328 0.084 0.000 0.964 173 H CA 0.066 56.163 56.048 0.081 0.000 1.180 173 H CB -0.335 29.430 29.762 0.005 0.000 1.408 173 H HN 0.230 nan 8.280 nan 0.000 0.563 174 E N 2.093 122.104 120.200 -0.315 0.000 2.248 174 E HA 0.370 4.715 4.350 -0.009 0.000 0.272 174 E C -0.348 176.221 176.600 -0.052 0.000 1.008 174 E CA -0.909 55.388 56.400 -0.172 0.000 0.856 174 E CB 1.670 31.225 29.700 -0.241 0.000 1.120 174 E HN 0.237 nan 8.360 nan 0.000 0.397 175 S N 1.774 117.446 115.700 -0.047 0.000 2.586 175 S HA 0.241 4.706 4.470 -0.009 0.000 0.274 175 S C 0.369 174.911 174.600 -0.095 0.000 1.281 175 S CA -0.869 57.294 58.200 -0.062 0.000 1.035 175 S CB 0.369 63.525 63.200 -0.073 0.000 0.962 175 S HN 0.541 nan 8.310 nan 0.000 0.512 176 L N 2.675 123.818 121.223 -0.133 0.000 3.035 176 L HA 0.192 4.527 4.340 -0.009 0.000 0.232 176 L C 1.988 178.791 176.870 -0.111 0.000 1.341 176 L CA -0.337 54.427 54.840 -0.127 0.000 1.177 176 L CB -0.690 41.184 42.059 -0.307 0.000 1.555 176 L HN 0.877 nan 8.230 nan 0.000 0.473 177 Q N -1.674 118.011 119.800 -0.192 0.000 2.172 177 Q HA -0.172 4.163 4.340 -0.009 0.000 0.200 177 Q C 1.249 177.082 176.000 -0.278 0.000 0.964 177 Q CA 1.300 56.943 55.803 -0.267 0.000 0.855 177 Q CB -0.274 28.250 28.738 -0.355 0.000 0.918 177 Q HN 0.563 nan 8.270 nan 0.000 0.444 178 H N -0.303 118.701 119.070 -0.110 0.000 2.428 178 H HA -0.002 4.548 4.556 -0.009 0.000 0.296 178 H C 1.386 176.577 175.328 -0.228 0.000 1.062 178 H CA 1.430 57.372 56.048 -0.177 0.000 1.350 178 H CB 0.062 29.684 29.762 -0.233 0.000 1.403 178 H HN 0.438 nan 8.280 nan 0.000 0.533 179 H N -0.139 118.889 119.070 -0.070 0.000 2.395 179 H HA 0.032 4.582 4.556 -0.009 0.000 0.299 179 H C 2.319 177.500 175.328 -0.245 0.000 1.070 179 H CA 0.968 56.921 56.048 -0.159 0.000 1.356 179 H CB 0.034 29.670 29.762 -0.211 0.000 1.401 179 H HN 0.417 nan 8.280 nan 0.000 0.524 180 A N 0.973 123.726 122.820 -0.111 0.000 1.902 180 A HA -0.152 4.163 4.320 -0.009 0.000 0.217 180 A C 2.518 180.004 177.584 -0.163 0.000 1.181 180 A CA 1.586 53.517 52.037 -0.176 0.000 0.623 180 A CB -1.135 17.778 19.000 -0.145 0.000 0.818 180 A HN 0.471 nan 8.150 nan 0.000 0.443 181 A N -0.000 122.751 122.820 -0.115 0.000 1.978 181 A HA -0.094 4.221 4.320 -0.009 0.000 0.220 181 A C 1.958 179.510 177.584 -0.053 0.000 1.170 181 A CA 1.650 53.641 52.037 -0.076 0.000 0.636 181 A CB -0.524 18.447 19.000 -0.050 0.000 0.810 181 A HN 0.457 nan 8.150 nan 0.000 0.448 182 I N 0.379 120.909 120.570 -0.067 0.000 2.252 182 I HA -0.226 3.939 4.170 -0.009 0.000 0.245 182 I C 2.590 178.684 176.117 -0.039 0.000 1.102 182 I CA 1.963 63.271 61.300 0.013 0.000 1.385 182 I CB -1.293 36.705 38.000 -0.003 0.000 1.064 182 I HN 0.570 nan 8.210 nan 0.000 0.414 183 R N 1.612 121.939 120.500 -0.289 0.000 2.173 183 R HA -0.018 4.317 4.340 -0.009 0.000 0.208 183 R C 1.687 177.902 176.300 -0.142 0.000 1.035 183 R CA 0.729 56.593 56.100 -0.393 0.000 1.004 183 R CB -0.521 29.024 30.300 -1.257 0.000 0.917 183 R HN 0.524 nan 8.270 nan 0.000 0.462 184 E N 1.984 122.111 120.200 -0.122 0.000 2.442 184 E HA -0.003 4.342 4.350 -0.009 0.000 0.195 184 E C 0.098 176.697 176.600 -0.002 0.000 1.030 184 E CA 0.241 56.610 56.400 -0.052 0.000 0.869 184 E CB 0.221 29.880 29.700 -0.068 0.000 0.857 184 E HN 0.273 nan 8.360 nan 0.000 0.505 185 S N -0.134 115.579 115.700 0.022 0.000 2.592 185 S HA 0.331 4.796 4.470 -0.009 0.000 0.271 185 S C 1.129 175.799 174.600 0.117 0.000 1.326 185 S CA -0.288 57.953 58.200 0.069 0.000 1.024 185 S CB 1.523 64.778 63.200 0.091 0.000 0.921 185 S HN 0.197 nan 8.310 nan 0.000 0.527 186 G N 0.328 109.201 108.800 0.122 0.000 2.920 186 G HA2 -0.025 3.929 3.960 -0.009 0.000 0.208 186 G HA3 -0.025 3.929 3.960 -0.009 0.000 0.208 186 G C 0.751 175.757 174.900 0.176 0.000 1.159 186 G CA -0.106 45.069 45.100 0.125 0.000 0.784 186 G HN 0.876 nan 8.290 nan 0.000 0.535 187 W N 1.220 122.532 121.300 0.020 0.000 2.318 187 W HA 0.005 4.660 4.660 -0.007 0.000 0.313 187 W C 1.949 178.486 176.519 0.031 0.000 1.221 187 W CA 2.061 59.413 57.345 0.011 0.000 1.266 187 W CB -0.247 29.200 29.460 -0.022 0.000 1.150 187 W HN 0.464 nan 8.180 nan 0.000 0.496 188 G N -0.672 108.036 108.800 -0.154 0.000 2.159 188 G HA2 -0.211 3.744 3.960 -0.009 0.000 0.256 188 G HA3 -0.211 3.744 3.960 -0.009 0.000 0.256 188 G C 0.628 175.185 174.900 -0.571 0.000 0.977 188 G CA 0.142 45.100 45.100 -0.238 0.000 0.652 188 G HN 0.891 nan 8.290 nan 0.000 0.531 189 G N -0.256 107.688 108.800 -1.427 0.000 2.354 189 G HA2 0.421 4.376 3.960 -0.009 0.000 0.266 189 G HA3 0.421 4.376 3.960 -0.009 0.000 0.266 189 G C 0.030 174.529 174.900 -0.668 0.000 1.242 189 G CA 0.141 44.234 45.100 -1.679 0.000 0.923 189 G HN 0.664 nan 8.290 nan 0.000 0.476 190 H N 2.909 121.781 119.070 -0.330 0.000 3.198 190 H HA 0.292 4.843 4.556 -0.008 0.000 0.255 190 H C -0.075 175.305 175.328 0.086 0.000 1.729 190 H CA -0.351 55.651 56.048 -0.076 0.000 1.495 190 H CB -0.264 29.406 29.762 -0.153 0.000 1.807 190 H HN 0.114 nan 8.280 nan 0.000 0.554 191 V N 6.785 126.711 119.914 0.020 0.000 2.383 191 V HA 0.222 4.337 4.120 -0.009 0.000 0.275 191 V C 0.603 176.759 176.094 0.104 0.000 1.036 191 V CA -0.484 61.801 62.300 -0.025 0.000 0.889 191 V CB 0.906 32.662 31.823 -0.111 0.000 0.985 191 V HN 0.613 nan 8.190 nan 0.000 0.459 192 I N 3.189 123.764 120.570 0.010 0.000 3.023 192 I HA 0.577 4.742 4.170 -0.009 0.000 0.312 192 I C 0.282 176.399 176.117 0.001 0.000 1.056 192 I CA -0.252 61.046 61.300 -0.004 0.000 1.033 192 I CB 2.769 40.673 38.000 -0.161 0.000 1.233 192 I HN 0.658 nan 8.210 nan 0.000 0.462 193 T N 2.088 116.555 114.554 -0.144 0.000 2.910 193 T HA 0.856 5.200 4.350 -0.009 0.000 0.287 193 T C -1.230 173.504 174.700 0.057 0.000 1.050 193 T CA -0.448 61.548 62.100 -0.173 0.000 1.011 193 T CB 1.612 70.080 68.868 -0.667 0.000 1.195 193 T HN 0.689 nan 8.240 nan 0.000 0.540 194 A N 1.162 124.080 122.820 0.163 0.000 2.498 194 A HA 0.654 4.969 4.320 -0.009 0.000 0.298 194 A C -1.944 175.811 177.584 0.284 0.000 1.075 194 A CA -0.609 51.561 52.037 0.222 0.000 0.714 194 A CB 1.110 20.181 19.000 0.118 0.000 1.299 194 A HN 0.821 nan 8.150 nan 0.000 0.407 195 Y N 1.585 121.855 120.300 -0.049 0.000 2.504 195 Y HA 0.462 5.007 4.550 -0.009 0.000 0.351 195 Y C 0.662 176.388 175.900 -0.289 0.000 0.988 195 Y CA 0.125 57.998 58.100 -0.379 0.000 1.239 195 Y CB 0.431 38.594 38.460 -0.495 0.000 1.128 195 Y HN 0.619 nan 8.280 nan 0.000 0.525 196 R N 8.498 128.689 120.500 -0.515 0.000 2.396 196 R HA 0.299 4.634 4.340 -0.009 0.000 0.292 196 R C -2.342 173.667 176.300 -0.485 0.000 1.240 196 R CA -1.831 54.020 56.100 -0.415 0.000 1.270 196 R CB 0.769 30.960 30.300 -0.182 0.000 1.108 196 R HN 0.418 nan 8.270 nan 0.000 0.573 197 P HA 0.091 nan 4.420 nan 0.000 0.256 197 P C -0.303 176.936 177.300 -0.102 0.000 1.384 197 P CA 0.008 62.876 63.100 -0.387 0.000 0.879 197 P CB 0.501 32.056 31.700 -0.242 0.000 1.403 198 D N 1.193 121.577 120.400 -0.027 0.000 2.190 198 D HA -0.166 4.469 4.640 -0.009 0.000 0.200 198 D C 2.021 178.346 176.300 0.042 0.000 0.992 198 D CA 1.679 55.739 54.000 0.099 0.000 0.854 198 D CB -0.616 40.247 40.800 0.106 0.000 0.936 198 D HN 0.190 nan 8.370 nan 0.000 0.462 199 A N 0.269 123.052 122.820 -0.061 0.000 2.014 199 A HA -0.028 4.287 4.320 -0.009 0.000 0.218 199 A C 2.027 179.484 177.584 -0.212 0.000 1.163 199 A CA 1.192 53.144 52.037 -0.142 0.000 0.652 199 A CB -0.164 18.670 19.000 -0.276 0.000 0.808 199 A HN 0.244 nan 8.150 nan 0.000 0.449 200 V N -4.040 115.692 119.914 -0.304 0.000 3.444 200 V HA 0.417 4.532 4.120 -0.009 0.000 0.308 200 V C 1.182 177.280 176.094 0.007 0.000 1.371 200 V CA 0.389 62.390 62.300 -0.497 0.000 1.141 200 V CB -0.447 30.748 31.823 -1.046 0.000 1.037 200 V HN 0.403 nan 8.190 nan 0.000 0.433 201 I N -0.742 119.922 120.570 0.157 0.000 3.971 201 I HA 0.311 4.476 4.170 -0.009 0.000 0.303 201 I C 0.482 176.835 176.117 0.392 0.000 1.233 201 I CA 0.212 61.770 61.300 0.430 0.000 1.346 201 I CB 0.583 38.785 38.000 0.338 0.000 1.273 201 I HN 0.208 nan 8.210 nan 0.000 0.448 202 D N 0.936 121.452 120.400 0.193 0.000 2.365 202 D HA 0.104 4.738 4.640 -0.009 0.000 0.237 202 D C 0.537 176.902 176.300 0.110 0.000 1.190 202 D CA 0.016 54.122 54.000 0.177 0.000 0.867 202 D CB 0.611 41.489 40.800 0.129 0.000 1.050 202 D HN -0.001 nan 8.370 nan 0.000 0.491 203 F N 1.582 121.625 119.950 0.154 0.000 2.558 203 F HA 0.044 4.566 4.527 -0.008 0.000 0.298 203 F C 2.066 177.887 175.800 0.036 0.000 1.119 203 F CA 0.507 58.548 58.000 0.068 0.000 1.451 203 F CB 0.233 39.206 39.000 -0.045 0.000 1.091 203 F HN 0.426 nan 8.300 nan 0.000 0.563 204 E N -0.611 119.704 120.200 0.192 0.000 2.481 204 E HA -0.086 4.259 4.350 -0.009 0.000 0.195 204 E C 0.257 176.904 176.600 0.079 0.000 1.047 204 E CA -0.085 56.382 56.400 0.110 0.000 0.867 204 E CB 0.007 29.758 29.700 0.084 0.000 0.858 204 E HN 0.121 nan 8.360 nan 0.000 0.513 205 D N 1.591 122.037 120.400 0.077 0.000 2.424 205 D HA -0.077 4.558 4.640 -0.009 0.000 0.244 205 D C 1.254 177.582 176.300 0.046 0.000 1.134 205 D CA 0.119 54.152 54.000 0.055 0.000 0.881 205 D CB 0.925 41.751 40.800 0.043 0.000 1.191 205 D HN 0.082 nan 8.370 nan 0.000 0.445 206 E N 4.246 124.470 120.200 0.041 0.000 2.274 206 E HA -0.192 4.153 4.350 -0.009 0.000 0.194 206 E C 0.894 177.513 176.600 0.033 0.000 0.996 206 E CA 0.632 57.054 56.400 0.037 0.000 0.840 206 E CB -0.138 29.582 29.700 0.035 0.000 0.772 206 E HN 0.606 nan 8.360 nan 0.000 0.491 207 R N 0.697 121.212 120.500 0.025 0.000 2.427 207 R HA 0.310 4.645 4.340 -0.009 0.000 0.262 207 R C 1.706 178.005 176.300 -0.002 0.000 0.943 207 R CA 0.363 56.472 56.100 0.015 0.000 1.081 207 R CB -0.022 30.284 30.300 0.010 0.000 1.166 207 R HN -0.032 nan 8.270 nan 0.000 0.534 208 S N 2.142 117.854 115.700 0.019 0.000 2.368 208 S HA 0.034 4.499 4.470 -0.009 0.000 0.224 208 S C -0.770 173.920 174.600 0.151 0.000 1.029 208 S CA 0.616 58.845 58.200 0.049 0.000 0.988 208 S CB -0.402 62.811 63.200 0.022 0.000 0.838 208 S HN 0.233 nan 8.310 nan 0.000 0.462 209 P HA -0.055 nan 4.420 nan 0.000 0.215 209 P C 1.428 178.837 177.300 0.182 0.000 1.153 209 P CA 1.066 64.253 63.100 0.144 0.000 0.853 209 P CB -0.041 31.709 31.700 0.083 0.000 0.788 210 R N -0.481 120.087 120.500 0.114 0.000 2.115 210 R HA 0.008 4.343 4.340 -0.009 0.000 0.226 210 R C 2.121 178.473 176.300 0.086 0.000 1.100 210 R CA 1.199 57.361 56.100 0.103 0.000 0.980 210 R CB -0.689 29.653 30.300 0.070 0.000 0.875 210 R HN 0.057 nan 8.270 nan 0.000 0.445 211 A N 0.127 122.941 122.820 -0.009 0.000 1.902 211 A HA -0.160 4.155 4.320 -0.009 0.000 0.217 211 A C 1.887 179.437 177.584 -0.056 0.000 1.181 211 A CA 1.143 53.036 52.037 -0.240 0.000 0.623 211 A CB -0.691 18.008 19.000 -0.502 0.000 0.818 211 A HN 0.355 nan 8.150 nan 0.000 0.443 212 F N -0.112 119.838 119.950 0.001 0.000 2.171 212 F HA -0.138 4.384 4.527 -0.008 0.000 0.300 212 F C 2.413 178.299 175.800 0.143 0.000 1.090 212 F CA 1.909 59.968 58.000 0.099 0.000 1.293 212 F CB -0.161 38.861 39.000 0.037 0.000 1.013 212 F HN 0.347 nan 8.300 nan 0.000 0.486 213 E N 0.222 120.634 120.200 0.352 0.000 2.077 213 E HA -0.220 4.125 4.350 -0.009 0.000 0.193 213 E C 2.167 178.892 176.600 0.209 0.000 0.989 213 E CA 1.357 57.931 56.400 0.291 0.000 0.800 213 E CB 0.012 29.852 29.700 0.233 0.000 0.746 213 E HN 0.414 nan 8.360 nan 0.000 0.452 214 R N -0.483 120.135 120.500 0.197 0.000 2.276 214 R HA 0.021 4.356 4.340 -0.009 0.000 0.196 214 R C 2.082 178.523 176.300 0.235 0.000 0.961 214 R CA 0.289 56.500 56.100 0.186 0.000 1.024 214 R CB -0.463 29.945 30.300 0.181 0.000 0.940 214 R HN 0.206 nan 8.270 nan 0.000 0.480 215 F N 2.215 122.192 119.950 0.045 0.000 2.234 215 F HA -0.033 4.489 4.527 -0.009 0.000 0.299 215 F C 2.301 178.082 175.800 -0.032 0.000 1.087 215 F CA 0.897 58.877 58.000 -0.032 0.000 1.340 215 F CB 0.141 39.024 39.000 -0.196 0.000 1.031 215 F HN 0.123 nan 8.300 nan 0.000 0.500 216 A N 0.329 123.122 122.820 -0.045 0.000 1.929 216 A HA -0.155 4.160 4.320 -0.009 0.000 0.216 216 A C 1.984 179.538 177.584 -0.049 0.000 1.176 216 A CA 1.651 53.625 52.037 -0.104 0.000 0.628 216 A CB -0.660 18.371 19.000 0.051 0.000 0.816 216 A HN 0.514 nan 8.150 nan 0.000 0.444 217 E N -0.389 119.825 120.200 0.024 0.000 2.047 217 E HA -0.146 4.199 4.350 -0.009 0.000 0.191 217 E C 2.240 178.846 176.600 0.010 0.000 0.987 217 E CA 1.763 58.180 56.400 0.028 0.000 0.799 217 E CB -0.355 29.379 29.700 0.056 0.000 0.752 217 E HN 0.821 nan 8.360 nan 0.000 0.449 218 T N -0.919 113.653 114.554 0.030 0.000 2.904 218 T HA -0.092 4.253 4.350 -0.009 0.000 0.267 218 T C 2.085 176.784 174.700 -0.003 0.000 1.059 218 T CA 1.294 63.418 62.100 0.040 0.000 1.137 218 T CB -0.130 68.806 68.868 0.114 0.000 0.879 218 T HN 0.145 nan 8.240 nan 0.000 0.467 219 S N 0.315 115.961 115.700 -0.090 0.000 2.497 219 S HA 0.460 4.925 4.470 -0.009 0.000 0.218 219 S C 1.875 176.399 174.600 -0.127 0.000 1.023 219 S CA 0.323 58.435 58.200 -0.147 0.000 0.913 219 S CB -0.415 62.575 63.200 -0.349 0.000 0.800 219 S HN 1.201 nan 8.310 nan 0.000 0.505 220 G N 1.413 110.148 108.800 -0.108 0.000 2.198 220 G HA2 -0.181 3.774 3.960 -0.009 0.000 0.257 220 G HA3 -0.181 3.774 3.960 -0.009 0.000 0.257 220 G C -0.237 174.620 174.900 -0.073 0.000 1.042 220 G CA 0.202 45.262 45.100 -0.067 0.000 0.791 220 G HN 0.539 nan 8.290 nan 0.000 0.502 221 Q N -0.626 119.101 119.800 -0.121 0.000 2.445 221 Q HA 0.421 4.756 4.340 -0.009 0.000 0.281 221 Q C -0.852 175.121 176.000 -0.045 0.000 1.101 221 Q CA -0.909 54.834 55.803 -0.100 0.000 0.833 221 Q CB 1.427 30.061 28.738 -0.173 0.000 1.416 221 Q HN 0.201 nan 8.270 nan 0.000 0.451 222 D N 1.186 121.600 120.400 0.024 0.000 2.470 222 D HA 0.077 4.712 4.640 -0.009 0.000 0.226 222 D C 1.015 177.404 176.300 0.148 0.000 1.196 222 D CA -0.108 53.965 54.000 0.122 0.000 0.979 222 D CB 0.275 41.164 40.800 0.150 0.000 1.059 222 D HN 0.369 nan 8.370 nan 0.000 0.515 223 V N 1.933 121.897 119.914 0.083 0.000 3.380 223 V HA -0.046 4.068 4.120 -0.009 0.000 0.268 223 V C 0.919 177.233 176.094 0.366 0.000 1.168 223 V CA 0.827 63.217 62.300 0.150 0.000 1.156 223 V CB -1.333 30.462 31.823 -0.045 0.000 0.785 223 V HN 0.365 nan 8.190 nan 0.000 0.487 224 Y N 0.960 121.540 120.300 0.466 0.000 2.457 224 Y HA 0.474 5.019 4.550 -0.008 0.000 0.263 224 Y C 1.423 177.602 175.900 0.465 0.000 1.164 224 Y CA 0.410 58.739 58.100 0.381 0.000 1.274 224 Y CB 0.196 38.753 38.460 0.161 0.000 1.097 224 Y HN 0.339 nan 8.280 nan 0.000 0.523 225 S N -0.376 115.690 115.700 0.609 0.000 2.500 225 S HA 0.082 4.547 4.470 -0.009 0.000 0.301 225 S C 0.596 175.487 174.600 0.486 0.000 1.092 225 S CA -0.903 57.622 58.200 0.542 0.000 1.030 225 S CB 0.501 63.895 63.200 0.325 0.000 1.031 225 S HN 0.540 nan 8.310 nan 0.000 0.483 226 W N 5.113 126.541 121.300 0.212 0.000 2.335 226 W HA -0.148 4.507 4.660 -0.008 0.000 0.311 226 W C 1.140 177.657 176.519 -0.003 0.000 1.213 226 W CA 1.501 58.742 57.345 -0.173 0.000 1.274 226 W CB -0.112 29.314 29.460 -0.056 0.000 1.148 226 W HN 0.759 nan 8.180 nan 0.000 0.498 227 K N 0.159 120.531 120.400 -0.047 0.000 2.211 227 K HA -0.121 4.194 4.320 -0.009 0.000 0.203 227 K C 2.153 178.669 176.600 -0.140 0.000 1.050 227 K CA 1.758 57.941 56.287 -0.174 0.000 0.945 227 K CB -0.181 32.323 32.500 0.007 0.000 0.732 227 K HN 0.115 nan 8.250 nan 0.000 0.451 228 S N -0.643 115.038 115.700 -0.033 0.000 2.503 228 S HA -0.061 4.403 4.470 -0.009 0.000 0.217 228 S C 1.769 176.346 174.600 -0.039 0.000 0.999 228 S CA -0.188 57.995 58.200 -0.028 0.000 0.914 228 S CB -0.301 62.914 63.200 0.026 0.000 0.782 228 S HN 0.362 nan 8.310 nan 0.000 0.520 229 Y N 2.635 122.855 120.300 -0.134 0.000 2.200 229 Y HA 0.136 4.681 4.550 -0.008 0.000 0.290 229 Y C 1.826 177.680 175.900 -0.076 0.000 1.137 229 Y CA 1.182 59.235 58.100 -0.078 0.000 1.163 229 Y CB -0.362 38.057 38.460 -0.067 0.000 0.988 229 Y HN 0.177 nan 8.280 nan 0.000 0.518 230 L N -0.082 120.961 121.223 -0.299 0.000 2.093 230 L HA -0.158 4.177 4.340 -0.009 0.000 0.208 230 L C 2.506 179.265 176.870 -0.184 0.000 1.085 230 L CA 1.306 55.953 54.840 -0.322 0.000 0.755 230 L CB -0.538 41.219 42.059 -0.504 0.000 0.904 230 L HN 0.203 nan 8.230 nan 0.000 0.435 231 E N 0.352 120.448 120.200 -0.173 0.000 2.110 231 E HA -0.181 4.163 4.350 -0.009 0.000 0.193 231 E C 2.234 178.755 176.600 -0.132 0.000 0.988 231 E CA 1.304 57.628 56.400 -0.126 0.000 0.804 231 E CB -0.016 29.622 29.700 -0.104 0.000 0.745 231 E HN 0.430 nan 8.360 nan 0.000 0.458 232 A N 0.941 123.638 122.820 -0.206 0.000 1.933 232 A HA -0.197 4.118 4.320 -0.009 0.000 0.218 232 A C 1.985 179.496 177.584 -0.121 0.000 1.175 232 A CA 1.343 53.191 52.037 -0.314 0.000 0.628 232 A CB -0.674 17.886 19.000 -0.735 0.000 0.814 232 A HN 0.271 nan 8.150 nan 0.000 0.444 233 H N -0.447 118.614 119.070 -0.015 0.000 2.357 233 H HA -0.033 4.517 4.556 -0.009 0.000 0.301 233 H C 2.364 177.621 175.328 -0.119 0.000 1.082 233 H CA 1.700 57.757 56.048 0.015 0.000 1.342 233 H CB -0.124 29.573 29.762 -0.107 0.000 1.389 233 H HN 0.479 nan 8.280 nan 0.000 0.511 234 R N 0.244 120.734 120.500 -0.017 0.000 2.081 234 R HA -0.086 4.249 4.340 -0.009 0.000 0.235 234 R C 2.612 178.867 176.300 -0.075 0.000 1.131 234 R CA 0.890 56.944 56.100 -0.077 0.000 0.960 234 R CB -0.174 30.082 30.300 -0.073 0.000 0.856 234 R HN 0.233 nan 8.270 nan 0.000 0.436 235 L N 0.037 121.227 121.223 -0.055 0.000 2.109 235 L HA -0.123 4.212 4.340 -0.009 0.000 0.207 235 L C 2.533 179.404 176.870 0.003 0.000 1.086 235 L CA 0.977 55.795 54.840 -0.035 0.000 0.760 235 L CB -0.286 41.744 42.059 -0.049 0.000 0.910 235 L HN 0.093 nan 8.230 nan 0.000 0.437 236 R N 0.229 120.750 120.500 0.034 0.000 2.090 236 R HA -0.053 4.282 4.340 -0.009 0.000 0.228 236 R C 2.288 178.612 176.300 0.041 0.000 1.110 236 R CA 0.964 57.149 56.100 0.143 0.000 0.973 236 R CB -0.529 29.950 30.300 0.298 0.000 0.869 236 R HN 0.345 nan 8.270 nan 0.000 0.440 237 R N 0.393 120.719 120.500 -0.291 0.000 2.091 237 R HA -0.168 4.166 4.340 -0.009 0.000 0.238 237 R C 2.283 178.511 176.300 -0.120 0.000 1.136 237 R CA 1.517 57.322 56.100 -0.492 0.000 0.959 237 R CB -0.195 29.766 30.300 -0.564 0.000 0.856 237 R HN 0.071 nan 8.270 nan 0.000 0.437 238 Q N 0.359 120.124 119.800 -0.057 0.000 2.124 238 Q HA -0.053 4.282 4.340 -0.009 0.000 0.202 238 Q C 1.868 177.898 176.000 0.050 0.000 0.977 238 Q CA 1.902 57.703 55.803 -0.003 0.000 0.850 238 Q CB -0.202 28.528 28.738 -0.014 0.000 0.901 238 Q HN 0.367 nan 8.270 nan 0.000 0.429 239 A N -1.032 121.842 122.820 0.091 0.000 2.019 239 A HA -0.111 4.204 4.320 -0.009 0.000 0.219 239 A C 1.680 179.320 177.584 0.094 0.000 1.164 239 A CA 1.087 53.179 52.037 0.092 0.000 0.644 239 A CB -0.654 18.412 19.000 0.110 0.000 0.805 239 A HN 0.420 nan 8.150 nan 0.000 0.449 240 F N -0.232 119.688 119.950 -0.050 0.000 2.234 240 F HA 0.052 4.574 4.527 -0.009 0.000 0.296 240 F C 2.043 177.820 175.800 -0.038 0.000 1.089 240 F CA 0.829 58.799 58.000 -0.050 0.000 1.343 240 F CB -0.336 38.653 39.000 -0.018 0.000 1.040 240 F HN 0.102 nan 8.300 nan 0.000 0.498 241 I N -0.167 120.492 120.570 0.148 0.000 2.361 241 I HA -0.264 3.901 4.170 -0.009 0.000 0.251 241 I C 1.665 177.834 176.117 0.087 0.000 1.133 241 I CA 1.203 62.561 61.300 0.096 0.000 1.413 241 I CB -0.475 37.559 38.000 0.057 0.000 1.073 241 I HN 0.001 nan 8.210 nan 0.000 0.424 242 D N 1.210 121.644 120.400 0.058 0.000 2.219 242 D HA -0.079 4.556 4.640 -0.009 0.000 0.205 242 D C 2.018 178.330 176.300 0.019 0.000 0.970 242 D CA 1.211 55.236 54.000 0.042 0.000 0.851 242 D CB -0.060 40.745 40.800 0.008 0.000 0.943 242 D HN 0.349 nan 8.370 nan 0.000 0.488 243 A N -0.711 122.087 122.820 -0.037 0.000 2.278 243 A HA 0.486 4.801 4.320 -0.009 0.000 0.212 243 A C 1.774 179.388 177.584 0.050 0.000 1.213 243 A CA 0.953 52.922 52.037 -0.113 0.000 0.840 243 A CB -0.097 18.711 19.000 -0.320 0.000 0.866 243 A HN 0.237 nan 8.150 nan 0.000 0.489 244 G N -1.635 107.272 108.800 0.178 0.000 2.232 244 G HA2 0.092 4.047 3.960 -0.009 0.000 0.226 244 G HA3 0.092 4.047 3.960 -0.009 0.000 0.226 244 G C 0.612 175.624 174.900 0.186 0.000 0.996 244 G CA 0.101 45.383 45.100 0.303 0.000 0.626 244 G HN 1.673 nan 8.290 nan 0.000 0.509 245 A N 0.629 123.522 122.820 0.122 0.000 2.587 245 A HA 0.498 4.813 4.320 -0.009 0.000 0.235 245 A C 1.535 179.201 177.584 0.137 0.000 1.044 245 A CA 2.186 54.304 52.037 0.135 0.000 0.754 245 A CB 0.128 19.258 19.000 0.215 0.000 0.968 245 A HN 1.753 nan 8.150 nan 0.000 0.509 246 T N -1.623 113.017 114.554 0.144 0.000 3.004 246 T HA 0.400 4.745 4.350 -0.009 0.000 0.266 246 T C 0.366 175.154 174.700 0.148 0.000 0.986 246 T CA 0.563 62.747 62.100 0.139 0.000 0.902 246 T CB -0.470 68.496 68.868 0.164 0.000 1.118 246 T HN 1.513 nan 8.240 nan 0.000 0.522 247 S N 1.153 116.955 115.700 0.170 0.000 2.569 247 S HA 0.771 5.235 4.470 -0.009 0.000 0.280 247 S C -0.594 174.088 174.600 0.138 0.000 1.111 247 S CA -0.538 57.768 58.200 0.176 0.000 0.887 247 S CB 2.056 65.441 63.200 0.308 0.000 1.095 247 S HN 0.641 nan 8.310 nan 0.000 0.476 248 S N 0.309 116.069 115.700 0.099 0.000 2.568 248 S HA 0.775 5.240 4.470 -0.009 0.000 0.302 248 S C -1.445 173.071 174.600 -0.140 0.000 1.082 248 S CA -0.564 57.649 58.200 0.022 0.000 1.009 248 S CB 1.531 64.799 63.200 0.113 0.000 1.069 248 S HN 0.847 nan 8.310 nan 0.000 0.500 249 D N -0.304 119.848 120.400 -0.412 0.000 2.879 249 D HA 0.378 5.012 4.640 -0.009 0.000 0.236 249 D C -1.574 174.314 176.300 -0.686 0.000 1.171 249 D CA -0.404 53.379 54.000 -0.362 0.000 0.868 249 D CB 1.141 41.893 40.800 -0.081 0.000 1.598 249 D HN 0.667 nan 8.370 nan 0.000 0.497 250 H N 2.408 121.446 119.070 -0.053 0.000 2.953 250 H HA 0.413 4.964 4.556 -0.009 0.000 0.290 250 H C -0.034 175.172 175.328 -0.203 0.000 1.113 250 H CA -0.705 55.200 56.048 -0.239 0.000 1.454 250 H CB 1.592 31.119 29.762 -0.392 0.000 1.525 250 H HN 0.468 nan 8.280 nan 0.000 0.505 251 G N 2.974 111.775 108.800 0.000 0.000 3.343 251 G HA2 0.138 4.093 3.960 -0.009 0.000 0.279 251 G HA3 0.138 4.093 3.960 -0.009 0.000 0.279 251 G C -0.080 174.987 174.900 0.279 0.000 0.919 251 G CA -0.266 44.934 45.100 0.168 0.000 1.812 251 G HN 0.597 nan 8.290 nan 0.000 0.584 252 H N 1.265 120.467 119.070 0.222 0.000 2.505 252 H HA 0.148 4.699 4.556 -0.008 0.000 0.355 252 H C -1.415 174.018 175.328 0.174 0.000 1.179 252 H CA -2.083 54.070 56.048 0.174 0.000 1.343 252 H CB 2.403 32.250 29.762 0.141 0.000 1.501 252 H HN 0.119 nan 8.280 nan 0.000 0.569 253 P HA -0.041 nan 4.420 nan 0.000 0.223 253 P C -0.335 177.046 177.300 0.136 0.000 1.151 253 P CA 1.122 64.319 63.100 0.161 0.000 0.787 253 P CB 0.484 32.232 31.700 0.080 0.000 0.788 254 T N -1.706 112.933 114.554 0.143 0.000 2.906 254 T HA 0.557 4.902 4.350 -0.009 0.000 0.295 254 T C 0.550 175.302 174.700 0.086 0.000 1.075 254 T CA -0.464 61.677 62.100 0.070 0.000 1.005 254 T CB 2.040 70.928 68.868 0.034 0.000 1.136 254 T HN -0.253 nan 8.240 nan 0.000 0.498 255 A N 0.577 123.379 122.820 -0.029 0.000 2.307 255 A HA 0.639 4.954 4.320 -0.009 0.000 0.218 255 A C 1.230 178.823 177.584 0.015 0.000 1.228 255 A CA -0.086 51.940 52.037 -0.017 0.000 0.857 255 A CB -0.704 18.157 19.000 -0.232 0.000 0.897 255 A HN 1.047 nan 8.150 nan 0.000 0.495 256 A N 0.989 123.818 122.820 0.015 0.000 2.546 256 A HA 0.468 4.783 4.320 -0.009 0.000 0.243 256 A C 0.827 178.429 177.584 0.030 0.000 1.063 256 A CA 0.868 52.914 52.037 0.014 0.000 0.757 256 A CB -0.365 18.640 19.000 0.008 0.000 0.991 256 A HN 0.804 nan 8.150 nan 0.000 0.503 257 T N -0.870 113.693 114.554 0.015 0.000 2.930 257 T HA 0.862 5.207 4.350 -0.009 0.000 0.290 257 T C -0.387 174.313 174.700 0.001 0.000 1.052 257 T CA -0.147 61.957 62.100 0.007 0.000 1.017 257 T CB 1.937 70.804 68.868 -0.002 0.000 1.137 257 T HN 1.961 nan 8.240 nan 0.000 0.511 258 A N 0.390 123.209 122.820 -0.003 0.000 2.587 258 A HA 0.712 5.027 4.320 -0.009 0.000 0.293 258 A C -1.366 176.221 177.584 0.004 0.000 1.087 258 A CA -0.725 51.313 52.037 0.001 0.000 0.692 258 A CB 1.925 20.926 19.000 0.002 0.000 1.291 258 A HN 0.787 nan 8.150 nan 0.000 0.407 259 D N 1.542 121.947 120.400 0.008 0.000 2.749 259 D HA 0.417 5.052 4.640 -0.009 0.000 0.338 259 D C -0.492 175.819 176.300 0.018 0.000 1.236 259 D CA -0.024 53.985 54.000 0.015 0.000 0.845 259 D CB -0.207 40.602 40.800 0.015 0.000 1.080 259 D HN 0.464 nan 8.370 nan 0.000 0.497 260 L N 0.712 121.946 121.223 0.017 0.000 2.464 260 L HA 0.265 4.600 4.340 -0.009 0.000 0.264 260 L C 1.327 178.213 176.870 0.025 0.000 1.199 260 L CA -0.533 54.314 54.840 0.011 0.000 0.818 260 L CB 0.757 42.812 42.059 -0.007 0.000 1.102 260 L HN 0.231 nan 8.230 nan 0.000 0.473 261 S N -0.631 115.079 115.700 0.018 0.000 2.600 261 S HA -0.014 4.451 4.470 -0.009 0.000 0.265 261 S C 0.653 175.278 174.600 0.041 0.000 1.325 261 S CA -0.496 57.723 58.200 0.033 0.000 1.002 261 S CB 1.141 64.355 63.200 0.023 0.000 0.921 261 S HN 0.713 nan 8.310 nan 0.000 0.554 262 D N 0.422 120.873 120.400 0.085 0.000 2.158 262 D HA -0.133 4.502 4.640 -0.009 0.000 0.197 262 D C 1.668 177.999 176.300 0.052 0.000 0.995 262 D CA 1.290 55.382 54.000 0.152 0.000 0.846 262 D CB -0.291 40.623 40.800 0.190 0.000 0.941 262 D HN 0.355 nan 8.370 nan 0.000 0.456 263 V N 0.040 119.966 119.914 0.021 0.000 2.379 263 V HA -0.134 3.981 4.120 -0.009 0.000 0.245 263 V C 2.020 178.063 176.094 -0.085 0.000 1.044 263 V CA 1.729 64.017 62.300 -0.021 0.000 1.036 263 V CB -0.221 31.605 31.823 0.006 0.000 0.664 263 V HN 0.193 nan 8.190 nan 0.000 0.453 264 E N -0.117 120.042 120.200 -0.068 0.000 2.110 264 E HA -0.184 4.161 4.350 -0.009 0.000 0.193 264 E C 2.216 178.728 176.600 -0.148 0.000 0.988 264 E CA 1.308 57.660 56.400 -0.081 0.000 0.804 264 E CB -0.276 29.398 29.700 -0.044 0.000 0.745 264 E HN 0.674 nan 8.360 nan 0.000 0.458 265 A N 1.086 123.768 122.820 -0.229 0.000 1.897 265 A HA -0.218 4.097 4.320 -0.009 0.000 0.215 265 A C 2.021 179.136 177.584 -0.782 0.000 1.181 265 A CA 1.511 53.286 52.037 -0.436 0.000 0.620 265 A CB -0.375 18.354 19.000 -0.451 0.000 0.821 265 A HN 0.239 nan 8.150 nan 0.000 0.443 266 E N 0.076 119.754 120.200 -0.869 0.000 2.077 266 E HA -0.122 4.223 4.350 -0.009 0.000 0.193 266 E C 2.085 178.555 176.600 -0.217 0.000 0.989 266 E CA 1.252 57.242 56.400 -0.683 0.000 0.800 266 E CB -0.308 29.200 29.700 -0.320 0.000 0.746 266 E HN 0.505 nan 8.360 nan 0.000 0.452 267 A N 0.975 123.692 122.820 -0.173 0.000 1.883 267 A HA -0.200 4.115 4.320 -0.009 0.000 0.217 267 A C 2.203 179.710 177.584 -0.129 0.000 1.186 267 A CA 1.625 53.598 52.037 -0.108 0.000 0.624 267 A CB -0.857 18.091 19.000 -0.088 0.000 0.822 267 A HN 0.424 nan 8.150 nan 0.000 0.444 268 L N -1.613 119.526 121.223 -0.141 0.000 2.046 268 L HA -0.079 4.256 4.340 -0.009 0.000 0.208 268 L C 2.235 178.969 176.870 -0.227 0.000 1.077 268 L CA 2.302 57.058 54.840 -0.140 0.000 0.747 268 L CB -0.629 41.399 42.059 -0.051 0.000 0.896 268 L HN 0.440 nan 8.230 nan 0.000 0.432 269 F N 0.442 120.179 119.950 -0.354 0.000 2.134 269 F HA -0.252 4.270 4.527 -0.008 0.000 0.299 269 F C 2.142 177.730 175.800 -0.353 0.000 1.097 269 F CA 2.169 59.919 58.000 -0.417 0.000 1.264 269 F CB -0.342 38.563 39.000 -0.158 0.000 1.001 269 F HN 0.268 nan 8.300 nan 0.000 0.479 270 N N -0.444 118.129 118.700 -0.213 0.000 2.120 270 N HA -0.190 4.544 4.740 -0.009 0.000 0.188 270 N C 1.783 177.097 175.510 -0.327 0.000 1.024 270 N CA 1.454 54.363 53.050 -0.235 0.000 0.852 270 N CB -0.210 38.235 38.487 -0.071 0.000 1.003 270 N HN 0.215 nan 8.380 nan 0.000 0.424 271 S N 0.988 116.500 115.700 -0.313 0.000 2.382 271 S HA -0.043 4.422 4.470 -0.009 0.000 0.228 271 S C 1.971 176.314 174.600 -0.428 0.000 1.027 271 S CA 0.820 58.839 58.200 -0.302 0.000 0.991 271 S CB -0.199 62.857 63.200 -0.240 0.000 0.823 271 S HN 0.240 nan 8.310 nan 0.000 0.469 272 L N 0.795 121.608 121.223 -0.683 0.000 2.131 272 L HA 0.037 4.372 4.340 -0.009 0.000 0.206 272 L C 2.283 178.600 176.870 -0.920 0.000 1.087 272 L CA 0.542 54.781 54.840 -1.003 0.000 0.767 272 L CB -0.449 40.524 42.059 -1.811 0.000 0.917 272 L HN 0.168 nan 8.230 nan 0.000 0.441 273 V N -0.229 119.168 119.914 -0.861 0.000 2.515 273 V HA -0.237 3.878 4.120 -0.009 0.000 0.250 273 V C 2.545 178.452 176.094 -0.312 0.000 1.058 273 V CA 1.405 63.396 62.300 -0.514 0.000 1.064 273 V CB -0.488 30.964 31.823 -0.618 0.000 0.675 273 V HN 0.362 nan 8.190 nan 0.000 0.461 274 K N -0.238 119.977 120.400 -0.308 0.000 2.209 274 K HA -0.087 4.227 4.320 -0.009 0.000 0.204 274 K C 1.595 178.087 176.600 -0.179 0.000 1.048 274 K CA 1.173 57.335 56.287 -0.209 0.000 0.940 274 K CB -0.004 32.383 32.500 -0.188 0.000 0.729 274 K HN 0.621 nan 8.250 nan 0.000 0.451 275 G N 1.208 109.884 108.800 -0.207 0.000 2.205 275 G HA2 -0.125 3.830 3.960 -0.009 0.000 0.180 275 G HA3 -0.125 3.830 3.960 -0.009 0.000 0.180 275 G C -0.466 174.349 174.900 -0.142 0.000 1.004 275 G CA -0.048 44.963 45.100 -0.149 0.000 0.670 275 G HN 0.267 nan 8.290 nan 0.000 0.496 276 D N 1.715 122.009 120.400 -0.177 0.000 2.713 276 D HA 0.341 4.976 4.640 -0.009 0.000 0.229 276 D C 0.399 176.597 176.300 -0.170 0.000 1.136 276 D CA 0.139 54.049 54.000 -0.150 0.000 1.010 276 D CB 1.072 41.787 40.800 -0.142 0.000 1.084 276 D HN 0.178 nan 8.370 nan 0.000 0.495 277 V N 2.157 121.987 119.914 -0.139 0.000 2.320 277 V HA 0.161 4.276 4.120 -0.009 0.000 0.265 277 V C 0.925 176.976 176.094 -0.072 0.000 1.048 277 V CA -0.464 61.760 62.300 -0.127 0.000 0.865 277 V CB 0.803 32.582 31.823 -0.073 0.000 1.043 277 V HN 0.343 nan 8.190 nan 0.000 0.474 278 T N 2.937 117.447 114.554 -0.073 0.000 2.929 278 T HA 0.450 4.795 4.350 -0.009 0.000 0.284 278 T C -1.849 172.837 174.700 -0.024 0.000 1.014 278 T CA -2.188 59.886 62.100 -0.043 0.000 1.051 278 T CB 1.997 70.838 68.868 -0.046 0.000 1.028 278 T HN 0.309 nan 8.240 nan 0.000 0.485 279 P HA -0.051 nan 4.420 nan 0.000 0.219 279 P C 1.008 178.312 177.300 0.006 0.000 1.146 279 P CA 0.938 64.040 63.100 0.004 0.000 0.808 279 P CB 0.112 31.813 31.700 0.002 0.000 0.779 280 E N -0.391 119.807 120.200 -0.004 0.000 2.072 280 E HA -0.093 4.252 4.350 -0.009 0.000 0.190 280 E C 1.885 178.485 176.600 0.001 0.000 0.982 280 E CA 1.086 57.485 56.400 -0.003 0.000 0.803 280 E CB -0.480 29.213 29.700 -0.010 0.000 0.755 280 E HN 0.229 nan 8.360 nan 0.000 0.453 281 K N 0.209 120.598 120.400 -0.018 0.000 2.103 281 K HA 0.031 4.346 4.320 -0.009 0.000 0.204 281 K C 2.121 178.731 176.600 0.018 0.000 1.052 281 K CA 1.004 57.273 56.287 -0.029 0.000 0.945 281 K CB -0.086 32.355 32.500 -0.099 0.000 0.722 281 K HN 0.097 nan 8.250 nan 0.000 0.443 282 A N 1.262 124.098 122.820 0.028 0.000 1.930 282 A HA -0.189 4.126 4.320 -0.009 0.000 0.217 282 A C 2.019 179.690 177.584 0.144 0.000 1.175 282 A CA 1.656 53.765 52.037 0.119 0.000 0.627 282 A CB -0.301 18.767 19.000 0.112 0.000 0.815 282 A HN 0.247 nan 8.150 nan 0.000 0.443 283 E N -0.143 120.101 120.200 0.075 0.000 2.072 283 E HA -0.138 4.207 4.350 -0.009 0.000 0.191 283 E C 1.756 178.385 176.600 0.049 0.000 0.985 283 E CA 1.202 57.629 56.400 0.044 0.000 0.801 283 E CB -0.421 29.294 29.700 0.024 0.000 0.750 283 E HN 0.389 nan 8.360 nan 0.000 0.452 284 L N -0.241 121.022 121.223 0.066 0.000 2.141 284 L HA 0.021 4.356 4.340 -0.009 0.000 0.209 284 L C 2.077 179.013 176.870 0.110 0.000 1.094 284 L CA 1.520 56.398 54.840 0.064 0.000 0.763 284 L CB -0.663 41.425 42.059 0.048 0.000 0.908 284 L HN 0.248 nan 8.230 nan 0.000 0.437 285 F N 0.141 120.107 119.950 0.026 0.000 2.163 285 F HA -0.110 4.412 4.527 -0.008 0.000 0.297 285 F C 2.542 178.409 175.800 0.111 0.000 1.094 285 F CA 1.350 59.406 58.000 0.094 0.000 1.290 285 F CB -0.216 38.877 39.000 0.156 0.000 1.017 285 F HN -0.021 nan 8.300 nan 0.000 0.483 286 R N -0.012 120.516 120.500 0.047 0.000 2.081 286 R HA -0.148 4.187 4.340 -0.009 0.000 0.235 286 R C 2.410 178.611 176.300 -0.165 0.000 1.131 286 R CA 1.240 57.212 56.100 -0.213 0.000 0.960 286 R CB -0.820 29.250 30.300 -0.383 0.000 0.856 286 R HN 0.383 nan 8.270 nan 0.000 0.436 287 A N 0.663 123.441 122.820 -0.070 0.000 1.898 287 A HA -0.222 4.093 4.320 -0.009 0.000 0.216 287 A C 2.085 179.646 177.584 -0.038 0.000 1.181 287 A CA 1.356 53.380 52.037 -0.022 0.000 0.620 287 A CB -0.348 18.651 19.000 -0.002 0.000 0.819 287 A HN 0.195 nan 8.150 nan 0.000 0.442 288 Q N -1.096 118.663 119.800 -0.070 0.000 2.123 288 Q HA -0.051 4.284 4.340 -0.009 0.000 0.199 288 Q C 1.886 177.826 176.000 -0.100 0.000 0.966 288 Q CA 1.538 57.301 55.803 -0.068 0.000 0.845 288 Q CB -0.319 28.387 28.738 -0.055 0.000 0.907 288 Q HN 0.476 nan 8.270 nan 0.000 0.439 289 M N -0.372 119.100 119.600 -0.214 0.000 2.229 289 M HA -0.064 4.411 4.480 -0.009 0.000 0.264 289 M C 1.939 178.160 176.300 -0.131 0.000 1.063 289 M CA 1.049 56.235 55.300 -0.189 0.000 1.114 289 M CB -0.839 31.602 32.600 -0.264 0.000 1.387 289 M HN 0.285 nan 8.290 nan 0.000 0.420 290 L N -0.675 120.497 121.223 -0.085 0.000 2.042 290 L HA -0.234 4.101 4.340 -0.009 0.000 0.210 290 L C 2.293 179.090 176.870 -0.122 0.000 1.076 290 L CA 1.386 56.140 54.840 -0.142 0.000 0.749 290 L CB -0.925 41.106 42.059 -0.047 0.000 0.893 290 L HN 0.288 nan 8.230 nan 0.000 0.432 291 T N -1.497 113.017 114.554 -0.067 0.000 2.857 291 T HA -0.171 4.174 4.350 -0.009 0.000 0.266 291 T C 1.748 176.425 174.700 -0.038 0.000 1.048 291 T CA 1.053 63.128 62.100 -0.041 0.000 1.139 291 T CB -0.033 68.826 68.868 -0.015 0.000 0.874 291 T HN 0.166 nan 8.240 nan 0.000 0.455 292 E N 0.861 121.038 120.200 -0.037 0.000 2.077 292 E HA -0.024 4.321 4.350 -0.009 0.000 0.193 292 E C 2.116 178.666 176.600 -0.084 0.000 0.989 292 E CA 0.946 57.328 56.400 -0.030 0.000 0.800 292 E CB -0.213 29.493 29.700 0.009 0.000 0.746 292 E HN 0.268 nan 8.360 nan 0.000 0.452 293 M N -0.408 119.117 119.600 -0.124 0.000 2.175 293 M HA -0.048 4.427 4.480 -0.009 0.000 0.264 293 M C 2.253 178.512 176.300 -0.068 0.000 1.063 293 M CA 1.473 56.705 55.300 -0.114 0.000 1.119 293 M CB -1.020 31.483 32.600 -0.161 0.000 1.377 293 M HN 0.199 nan 8.290 nan 0.000 0.415 294 A N 0.129 122.907 122.820 -0.070 0.000 1.972 294 A HA -0.157 4.158 4.320 -0.009 0.000 0.219 294 A C 2.261 179.826 177.584 -0.031 0.000 1.169 294 A CA 1.450 53.462 52.037 -0.041 0.000 0.635 294 A CB -0.492 18.483 19.000 -0.042 0.000 0.810 294 A HN 0.449 nan 8.150 nan 0.000 0.446 295 K N -1.001 119.379 120.400 -0.033 0.000 2.148 295 K HA -0.004 4.311 4.320 -0.009 0.000 0.204 295 K C 1.949 178.530 176.600 -0.033 0.000 1.050 295 K CA 1.468 57.741 56.287 -0.023 0.000 0.942 295 K CB -0.221 32.271 32.500 -0.013 0.000 0.724 295 K HN 0.523 nan 8.250 nan 0.000 0.446 296 M N -0.058 119.512 119.600 -0.050 0.000 2.254 296 M HA -0.085 4.390 4.480 -0.009 0.000 0.265 296 M C 2.015 178.285 176.300 -0.051 0.000 1.066 296 M CA 1.115 56.379 55.300 -0.060 0.000 1.123 296 M CB 0.087 32.634 32.600 -0.088 0.000 1.388 296 M HN -0.048 nan 8.290 nan 0.000 0.425 297 S N 0.701 116.377 115.700 -0.039 0.000 2.447 297 S HA -0.040 4.425 4.470 -0.009 0.000 0.233 297 S C 1.685 176.273 174.600 -0.020 0.000 1.006 297 S CA 0.756 58.940 58.200 -0.026 0.000 0.957 297 S CB -0.151 63.042 63.200 -0.012 0.000 0.773 297 S HN 0.240 nan 8.310 nan 0.000 0.507 298 L N 1.614 122.825 121.223 -0.020 0.000 2.131 298 L HA -0.087 4.248 4.340 -0.009 0.000 0.210 298 L C 1.832 178.693 176.870 -0.015 0.000 1.092 298 L CA 1.619 56.450 54.840 -0.014 0.000 0.759 298 L CB -0.463 41.590 42.059 -0.011 0.000 0.903 298 L HN 0.194 nan 8.230 nan 0.000 0.435 299 D N -0.958 119.429 120.400 -0.022 0.000 2.320 299 D HA -0.094 4.541 4.640 -0.009 0.000 0.228 299 D C 1.501 177.787 176.300 -0.023 0.000 0.978 299 D CA 1.322 55.309 54.000 -0.022 0.000 0.905 299 D CB -0.151 40.632 40.800 -0.028 0.000 1.051 299 D HN 0.430 nan 8.370 nan 0.000 0.471 300 D N -0.609 119.771 120.400 -0.033 0.000 2.355 300 D HA 0.102 4.737 4.640 -0.009 0.000 0.218 300 D C 1.491 177.779 176.300 -0.020 0.000 1.004 300 D CA 0.941 54.922 54.000 -0.032 0.000 0.880 300 D CB -0.119 40.648 40.800 -0.055 0.000 0.911 300 D HN 0.267 nan 8.370 nan 0.000 0.528 301 G N -0.259 108.531 108.800 -0.017 0.000 2.162 301 G HA2 -0.282 3.673 3.960 -0.009 0.000 0.260 301 G HA3 -0.282 3.673 3.960 -0.009 0.000 0.260 301 G C -0.020 174.880 174.900 -0.000 0.000 0.976 301 G CA 0.193 45.289 45.100 -0.007 0.000 0.655 301 G HN 0.373 nan 8.290 nan 0.000 0.533 302 L N 0.731 121.952 121.223 -0.004 0.000 2.485 302 L HA 0.416 4.751 4.340 -0.009 0.000 0.275 302 L C 1.035 177.915 176.870 0.016 0.000 1.207 302 L CA 0.028 54.875 54.840 0.012 0.000 0.855 302 L CB 1.304 43.362 42.059 -0.003 0.000 1.114 302 L HN 0.055 nan 8.230 nan 0.000 0.485 303 V N 5.501 125.429 119.914 0.024 0.000 2.461 303 V HA 0.221 4.336 4.120 -0.009 0.000 0.275 303 V C 0.424 176.532 176.094 0.024 0.000 1.047 303 V CA -0.344 61.948 62.300 -0.013 0.000 0.955 303 V CB 1.028 32.797 31.823 -0.091 0.000 0.988 303 V HN 0.712 nan 8.190 nan 0.000 0.471 304 M N 5.317 124.932 119.600 0.023 0.000 2.063 304 M HA 0.355 4.830 4.480 -0.009 0.000 0.348 304 M C -0.346 176.007 176.300 0.087 0.000 1.180 304 M CA -0.215 55.142 55.300 0.095 0.000 1.059 304 M CB 0.594 33.248 32.600 0.091 0.000 1.544 304 M HN 0.690 nan 8.290 nan 0.000 0.447 305 Q N 5.145 125.022 119.800 0.128 0.000 2.257 305 Q HA 0.531 4.866 4.340 -0.009 0.000 0.255 305 Q C -1.118 174.975 176.000 0.155 0.000 0.920 305 Q CA -0.238 55.646 55.803 0.136 0.000 0.927 305 Q CB 2.039 30.868 28.738 0.152 0.000 1.229 305 Q HN 0.697 nan 8.270 nan 0.000 0.433 306 I N 2.393 123.031 120.570 0.114 0.000 2.362 306 I HA 0.211 4.376 4.170 -0.009 0.000 0.289 306 I C -0.592 175.536 176.117 0.019 0.000 0.994 306 I CA -0.615 60.752 61.300 0.112 0.000 1.158 306 I CB 0.929 39.006 38.000 0.128 0.000 1.315 306 I HN 0.630 nan 8.210 nan 0.000 0.451 307 H N 6.413 125.478 119.070 -0.009 0.000 2.360 307 H HA 0.302 4.852 4.556 -0.009 0.000 0.233 307 H C -2.409 173.061 175.328 0.236 0.000 1.473 307 H CA -1.473 54.460 56.048 -0.191 0.000 1.352 307 H CB 0.299 29.675 29.762 -0.644 0.000 1.493 307 H HN 0.351 nan 8.280 nan 0.000 0.533 308 P HA 0.295 nan 4.420 nan 0.000 0.283 308 P C 0.782 178.373 177.300 0.484 0.000 1.278 308 P CA -0.321 63.028 63.100 0.415 0.000 0.834 308 P CB 1.605 33.464 31.700 0.266 0.000 1.150 309 G N -1.299 107.692 108.800 0.318 0.000 2.144 309 G HA2 -0.188 3.767 3.960 -0.009 0.000 0.218 309 G HA3 -0.188 3.767 3.960 -0.009 0.000 0.218 309 G C 0.131 175.134 174.900 0.172 0.000 0.988 309 G CA 0.121 45.355 45.100 0.222 0.000 0.659 309 G HN 0.753 nan 8.290 nan 0.000 0.522 310 S N 0.457 116.285 115.700 0.213 0.000 2.422 310 S HA 0.454 4.919 4.470 -0.009 0.000 0.298 310 S C 0.300 174.986 174.600 0.143 0.000 1.118 310 S CA -0.551 57.719 58.200 0.118 0.000 1.083 310 S CB 0.347 63.664 63.200 0.196 0.000 0.971 310 S HN 0.394 nan 8.310 nan 0.000 0.478 311 H N 6.623 125.708 119.070 0.025 0.000 3.224 311 H HA 0.185 4.736 4.556 -0.009 0.000 0.265 311 H C 0.191 175.566 175.328 0.080 0.000 1.461 311 H CA -0.033 56.054 56.048 0.065 0.000 1.509 311 H CB -0.266 29.542 29.762 0.076 0.000 1.686 311 H HN 0.575 nan 8.280 nan 0.000 0.514 312 R N 3.582 124.207 120.500 0.210 0.000 2.491 312 R HA 0.012 4.347 4.340 -0.009 0.000 0.283 312 R C 0.387 176.833 176.300 0.244 0.000 1.072 312 R CA -0.464 55.761 56.100 0.207 0.000 1.048 312 R CB 0.410 30.804 30.300 0.156 0.000 0.983 312 R HN 0.711 nan 8.270 nan 0.000 0.450 313 N N 1.589 120.415 118.700 0.210 0.000 2.746 313 N HA -0.218 4.517 4.740 -0.009 0.000 0.250 313 N C 0.508 176.143 175.510 0.208 0.000 1.055 313 N CA 0.656 53.810 53.050 0.172 0.000 0.699 313 N CB -1.303 37.256 38.487 0.120 0.000 0.919 313 N HN 0.703 nan 8.380 nan 0.000 0.548 314 H N 0.483 119.621 119.070 0.113 0.000 2.428 314 H HA 0.031 4.582 4.556 -0.008 0.000 0.296 314 H C 0.376 175.706 175.328 0.004 0.000 1.062 314 H CA 0.993 57.039 56.048 -0.003 0.000 1.350 314 H CB 0.411 30.069 29.762 -0.174 0.000 1.403 314 H HN 0.458 nan 8.280 nan 0.000 0.533 315 N N 0.653 119.431 118.700 0.129 0.000 2.415 315 N HA 0.038 4.773 4.740 -0.009 0.000 0.250 315 N C 1.057 176.596 175.510 0.047 0.000 1.127 315 N CA -0.398 52.701 53.050 0.081 0.000 0.945 315 N CB 1.035 39.582 38.487 0.100 0.000 1.196 315 N HN -0.067 nan 8.380 nan 0.000 0.499 316 V N 3.150 123.074 119.914 0.016 0.000 2.323 316 V HA -0.104 4.010 4.120 -0.009 0.000 0.244 316 V C 2.325 178.443 176.094 0.039 0.000 1.041 316 V CA 2.117 64.431 62.300 0.023 0.000 1.025 316 V CB -0.836 30.988 31.823 0.002 0.000 0.656 316 V HN 0.856 nan 8.190 nan 0.000 0.451 317 G N -0.241 108.586 108.800 0.045 0.000 2.450 317 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.220 317 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.220 317 G C 1.567 176.513 174.900 0.077 0.000 1.130 317 G CA 1.163 46.299 45.100 0.060 0.000 0.760 317 G HN 0.434 nan 8.290 nan 0.000 0.557 318 L N -0.135 121.128 121.223 0.066 0.000 2.179 318 L HA 0.239 4.574 4.340 -0.009 0.000 0.208 318 L C 2.428 179.348 176.870 0.082 0.000 1.096 318 L CA 1.000 55.870 54.840 0.051 0.000 0.779 318 L CB -0.313 41.718 42.059 -0.046 0.000 0.922 318 L HN 0.200 nan 8.230 nan 0.000 0.443 319 L N -0.391 120.872 121.223 0.067 0.000 2.093 319 L HA -0.140 4.195 4.340 -0.009 0.000 0.208 319 L C 2.110 179.018 176.870 0.063 0.000 1.085 319 L CA 1.581 56.462 54.840 0.067 0.000 0.755 319 L CB -0.861 41.234 42.059 0.060 0.000 0.904 319 L HN 0.316 nan 8.230 nan 0.000 0.435 320 N N -0.390 118.345 118.700 0.058 0.000 2.142 320 N HA -0.142 4.593 4.740 -0.009 0.000 0.186 320 N C 1.945 177.479 175.510 0.040 0.000 1.023 320 N CA 1.699 54.775 53.050 0.045 0.000 0.852 320 N CB -0.453 38.058 38.487 0.040 0.000 0.998 320 N HN 0.603 nan 8.380 nan 0.000 0.424 321 S N -0.749 114.997 115.700 0.076 0.000 2.406 321 S HA 0.033 4.498 4.470 -0.009 0.000 0.224 321 S C 1.335 175.883 174.600 -0.087 0.000 1.030 321 S CA 0.703 58.929 58.200 0.045 0.000 0.958 321 S CB -0.129 63.175 63.200 0.174 0.000 0.811 321 S HN 0.355 nan 8.310 nan 0.000 0.489 322 H N 0.650 119.710 119.070 -0.017 0.000 3.091 322 H HA 0.519 5.070 4.556 -0.009 0.000 0.249 322 H C 1.354 176.675 175.328 -0.011 0.000 0.985 322 H CA 0.337 56.368 56.048 -0.028 0.000 1.177 322 H CB 0.813 30.536 29.762 -0.065 0.000 1.456 322 H HN 0.636 nan 8.280 nan 0.000 0.467 323 G N 0.611 109.479 108.800 0.112 0.000 2.482 323 G HA2 -0.219 3.736 3.960 -0.009 0.000 0.214 323 G HA3 -0.219 3.736 3.960 -0.009 0.000 0.214 323 G C -0.605 174.338 174.900 0.071 0.000 1.271 323 G CA -0.628 44.515 45.100 0.072 0.000 0.944 323 G HN 0.226 nan 8.290 nan 0.000 0.568 324 R N 0.881 121.415 120.500 0.056 0.000 2.582 324 R HA 0.414 4.748 4.340 -0.009 0.000 0.271 324 R C -0.002 176.318 176.300 0.034 0.000 1.078 324 R CA 0.373 56.501 56.100 0.045 0.000 1.127 324 R CB 0.099 30.419 30.300 0.034 0.000 1.038 324 R HN 0.680 nan 8.270 nan 0.000 0.500 325 D N 1.743 122.147 120.400 0.006 0.000 2.718 325 D HA -0.128 4.507 4.640 -0.009 0.000 0.242 325 D C -0.442 175.862 176.300 0.005 0.000 1.123 325 D CA 0.902 54.858 54.000 -0.074 0.000 0.690 325 D CB -0.222 40.500 40.800 -0.129 0.000 1.059 325 D HN 0.421 nan 8.370 nan 0.000 0.429 326 K N -0.279 120.166 120.400 0.076 0.000 2.726 326 K HA 0.359 4.674 4.320 -0.009 0.000 0.209 326 K C 1.258 178.004 176.600 0.244 0.000 1.082 326 K CA 0.203 56.637 56.287 0.246 0.000 1.081 326 K CB 0.670 33.230 32.500 0.100 0.000 0.830 326 K HN 0.397 nan 8.250 nan 0.000 0.470 327 G N 1.209 110.056 108.800 0.078 0.000 2.176 327 G HA2 -0.302 3.653 3.960 -0.009 0.000 0.252 327 G HA3 -0.302 3.653 3.960 -0.009 0.000 0.252 327 G C 0.423 175.402 174.900 0.133 0.000 1.024 327 G CA 0.354 45.528 45.100 0.123 0.000 0.755 327 G HN 0.420 nan 8.290 nan 0.000 0.507 328 A N -0.170 122.712 122.820 0.103 0.000 2.749 328 A HA 0.566 4.881 4.320 -0.009 0.000 0.299 328 A C -0.033 177.613 177.584 0.103 0.000 1.105 328 A CA -0.033 52.062 52.037 0.097 0.000 0.987 328 A CB 0.484 19.541 19.000 0.095 0.000 1.180 328 A HN 0.193 nan 8.150 nan 0.000 0.528 329 D N 1.365 121.822 120.400 0.094 0.000 2.373 329 D HA 0.396 5.031 4.640 -0.009 0.000 0.227 329 D C -0.222 175.992 176.300 -0.143 0.000 1.091 329 D CA 0.085 54.110 54.000 0.042 0.000 0.840 329 D CB 1.231 42.112 40.800 0.136 0.000 1.060 329 D HN 0.160 nan 8.370 nan 0.000 0.502 330 I N 3.142 123.626 120.570 -0.143 0.000 2.377 330 I HA 0.291 4.456 4.170 -0.009 0.000 0.293 330 I C -2.270 173.713 176.117 -0.224 0.000 0.987 330 I CA -2.674 58.453 61.300 -0.288 0.000 1.185 330 I CB 1.287 39.020 38.000 -0.445 0.000 1.341 330 I HN -0.094 nan 8.210 nan 0.000 0.455 331 P HA 0.246 nan 4.420 nan 0.000 0.268 331 P C -0.492 176.761 177.300 -0.078 0.000 1.205 331 P CA -0.007 62.990 63.100 -0.172 0.000 0.771 331 P CB 0.628 32.217 31.700 -0.185 0.000 0.858 332 M N 1.832 121.435 119.600 0.005 0.000 2.664 332 M HA 0.439 4.914 4.480 -0.009 0.000 0.314 332 M C 0.462 176.782 176.300 0.034 0.000 1.200 332 M CA -1.189 54.130 55.300 0.031 0.000 0.916 332 M CB 1.808 34.455 32.600 0.078 0.000 1.717 332 M HN 0.244 nan 8.290 nan 0.000 0.470 333 R N 0.604 121.119 120.500 0.025 0.000 2.449 333 R HA 0.311 4.646 4.340 -0.009 0.000 0.296 333 R C -1.019 175.294 176.300 0.021 0.000 1.047 333 R CA 0.223 56.339 56.100 0.026 0.000 1.018 333 R CB -0.366 29.944 30.300 0.016 0.000 0.962 333 R HN 0.533 nan 8.270 nan 0.000 0.428 334 T N 2.119 116.688 114.554 0.025 0.000 2.918 334 T HA 0.349 4.694 4.350 -0.009 0.000 0.286 334 T C -0.732 173.898 174.700 -0.118 0.000 1.026 334 T CA -0.846 61.215 62.100 -0.066 0.000 1.031 334 T CB 1.668 70.490 68.868 -0.077 0.000 1.046 334 T HN 0.592 nan 8.240 nan 0.000 0.479 335 E N 0.409 120.456 120.200 -0.255 0.000 2.227 335 E HA 0.392 4.736 4.350 -0.009 0.000 0.268 335 E C -0.925 175.448 176.600 -0.378 0.000 0.907 335 E CA -0.494 55.804 56.400 -0.169 0.000 0.786 335 E CB 1.634 31.290 29.700 -0.072 0.000 1.191 335 E HN 0.771 nan 8.360 nan 0.000 0.411 336 Y N 1.101 121.428 120.300 0.045 0.000 2.723 336 Y HA 0.035 4.580 4.550 -0.008 0.000 0.272 336 Y C 1.872 177.785 175.900 0.022 0.000 1.142 336 Y CA 0.148 58.271 58.100 0.039 0.000 1.217 336 Y CB 0.188 38.676 38.460 0.048 0.000 1.391 336 Y HN 0.293 nan 8.280 nan 0.000 0.479 337 V N 0.610 120.631 119.914 0.178 0.000 2.252 337 V HA -0.295 3.820 4.120 -0.009 0.000 0.249 337 V C 1.494 177.626 176.094 0.065 0.000 1.056 337 V CA 2.452 64.817 62.300 0.108 0.000 1.022 337 V CB -0.388 31.489 31.823 0.089 0.000 0.641 337 V HN 0.340 nan 8.190 nan 0.000 0.445 338 D N -0.283 120.145 120.400 0.047 0.000 2.213 338 D HA 0.076 4.711 4.640 -0.009 0.000 0.205 338 D C 2.182 178.492 176.300 0.015 0.000 0.961 338 D CA 1.311 55.327 54.000 0.026 0.000 0.853 338 D CB -0.123 40.688 40.800 0.018 0.000 0.967 338 D HN 0.413 nan 8.370 nan 0.000 0.496 339 A N 0.572 123.398 122.820 0.010 0.000 1.873 339 A HA -0.058 4.257 4.320 -0.009 0.000 0.215 339 A C 2.185 179.774 177.584 0.008 0.000 1.186 339 A CA 0.829 52.863 52.037 -0.005 0.000 0.616 339 A CB -0.622 18.348 19.000 -0.050 0.000 0.823 339 A HN 0.205 nan 8.150 nan 0.000 0.442 340 L N -0.963 120.274 121.223 0.024 0.000 2.509 340 L HA 0.012 4.347 4.340 -0.009 0.000 0.222 340 L C 2.321 179.165 176.870 -0.043 0.000 1.123 340 L CA 0.555 55.396 54.840 0.002 0.000 0.856 340 L CB -0.215 41.855 42.059 0.018 0.000 0.985 340 L HN 0.429 nan 8.230 nan 0.000 0.456 341 K N 1.000 121.387 120.400 -0.023 0.000 2.032 341 K HA -0.183 4.131 4.320 -0.009 0.000 0.209 341 K C -0.489 176.100 176.600 -0.018 0.000 1.048 341 K CA 1.565 57.838 56.287 -0.023 0.000 0.927 341 K CB -0.668 31.838 32.500 0.011 0.000 0.712 341 K HN 0.161 nan 8.250 nan 0.000 0.441 342 P HA -0.192 nan 4.420 nan 0.000 0.215 342 P C 1.293 178.587 177.300 -0.010 0.000 1.157 342 P CA 0.985 64.083 63.100 -0.003 0.000 0.874 342 P CB 0.004 31.704 31.700 0.000 0.000 0.790 343 L N -1.053 120.156 121.223 -0.025 0.000 2.093 343 L HA -0.097 4.238 4.340 -0.009 0.000 0.208 343 L C 2.091 178.930 176.870 -0.050 0.000 1.085 343 L CA 1.749 56.569 54.840 -0.033 0.000 0.755 343 L CB -1.329 40.706 42.059 -0.040 0.000 0.904 343 L HN -0.113 nan 8.230 nan 0.000 0.435 344 L N -1.370 119.794 121.223 -0.099 0.000 2.291 344 L HA -0.113 4.222 4.340 -0.009 0.000 0.214 344 L C 2.138 179.003 176.870 -0.009 0.000 1.120 344 L CA 1.033 55.776 54.840 -0.162 0.000 0.799 344 L CB -0.767 41.007 42.059 -0.475 0.000 0.925 344 L HN 0.255 nan 8.230 nan 0.000 0.446 345 T N -0.964 113.599 114.554 0.015 0.000 2.812 345 T HA -0.155 4.189 4.350 -0.009 0.000 0.264 345 T C 2.049 176.779 174.700 0.050 0.000 1.042 345 T CA 1.035 63.168 62.100 0.055 0.000 1.140 345 T CB -0.029 68.864 68.868 0.041 0.000 0.870 345 T HN 0.267 nan 8.240 nan 0.000 0.445 346 R N 0.409 120.926 120.500 0.029 0.000 2.062 346 R HA 0.162 4.497 4.340 -0.009 0.000 0.226 346 R C 1.220 177.539 176.300 0.031 0.000 1.125 346 R CA 1.020 57.136 56.100 0.028 0.000 0.966 346 R CB 0.014 30.325 30.300 0.018 0.000 0.861 346 R HN 0.323 nan 8.270 nan 0.000 0.433 347 L N -0.874 120.364 121.223 0.024 0.000 3.229 347 L HA 0.342 4.677 4.340 -0.009 0.000 0.286 347 L C 1.384 178.277 176.870 0.039 0.000 1.239 347 L CA -0.126 54.728 54.840 0.024 0.000 1.035 347 L CB 1.442 43.505 42.059 0.006 0.000 1.408 347 L HN 0.264 nan 8.230 nan 0.000 0.593 348 G N 0.394 109.235 108.800 0.070 0.000 2.679 348 G HA2 -0.142 3.813 3.960 -0.009 0.000 0.212 348 G HA3 -0.142 3.813 3.960 -0.009 0.000 0.212 348 G C 0.758 175.801 174.900 0.239 0.000 1.137 348 G CA 0.371 45.554 45.100 0.138 0.000 0.787 348 G HN 0.449 nan 8.290 nan 0.000 0.534 349 N N -0.146 118.639 118.700 0.142 0.000 2.170 349 N HA 0.118 4.853 4.740 -0.009 0.000 0.222 349 N C -0.401 175.137 175.510 0.046 0.000 1.218 349 N CA -0.361 52.743 53.050 0.089 0.000 0.889 349 N CB 0.909 39.435 38.487 0.065 0.000 1.083 349 N HN 0.049 nan 8.380 nan 0.000 0.520 350 D N 1.537 121.963 120.400 0.044 0.000 2.383 350 D HA 0.070 4.705 4.640 -0.009 0.000 0.252 350 D C -1.504 174.806 176.300 0.016 0.000 1.166 350 D CA -1.518 52.496 54.000 0.024 0.000 0.879 350 D CB 1.655 42.466 40.800 0.020 0.000 1.164 350 D HN 0.044 nan 8.370 nan 0.000 0.462 351 P HA 0.009 nan 4.420 nan 0.000 0.221 351 P C 0.931 178.231 177.300 -0.000 0.000 1.150 351 P CA 0.717 63.818 63.100 0.002 0.000 0.800 351 P CB 0.326 32.026 31.700 -0.001 0.000 0.787 352 R N -1.325 119.175 120.500 -0.000 0.000 2.276 352 R HA 0.118 4.453 4.340 -0.009 0.000 0.203 352 R C 0.538 176.835 176.300 -0.006 0.000 1.017 352 R CA 0.020 56.118 56.100 -0.003 0.000 1.010 352 R CB -0.414 29.884 30.300 -0.003 0.000 0.900 352 R HN 0.176 nan 8.270 nan 0.000 0.469 353 L N -0.033 121.188 121.223 -0.004 0.000 2.322 353 L HA 0.349 4.684 4.340 -0.009 0.000 0.279 353 L C -0.646 176.217 176.870 -0.012 0.000 1.036 353 L CA -0.058 54.778 54.840 -0.007 0.000 0.807 353 L CB 2.055 44.111 42.059 -0.004 0.000 1.226 353 L HN -0.236 nan 8.230 nan 0.000 0.433 354 S N 5.327 121.014 115.700 -0.022 0.000 2.733 354 S HA 0.692 5.157 4.470 -0.009 0.000 0.294 354 S C -0.956 173.616 174.600 -0.047 0.000 1.149 354 S CA -0.546 57.630 58.200 -0.040 0.000 1.034 354 S CB 0.388 63.552 63.200 -0.060 0.000 1.015 354 S HN 0.512 nan 8.310 nan 0.000 0.486 355 I N 5.405 125.946 120.570 -0.049 0.000 2.406 355 I HA 0.508 4.673 4.170 -0.009 0.000 0.290 355 I C -0.686 175.378 176.117 -0.088 0.000 0.999 355 I CA -0.713 60.557 61.300 -0.049 0.000 1.124 355 I CB 1.864 39.845 38.000 -0.032 0.000 1.289 355 I HN 0.531 nan 8.210 nan 0.000 0.441 356 I N 6.917 127.420 120.570 -0.112 0.000 2.362 356 I HA 0.378 4.543 4.170 -0.009 0.000 0.289 356 I C -0.564 175.404 176.117 -0.248 0.000 0.994 356 I CA -0.537 60.635 61.300 -0.214 0.000 1.158 356 I CB 1.371 39.217 38.000 -0.257 0.000 1.315 356 I HN 0.293 nan 8.210 nan 0.000 0.451 357 L N 6.527 127.558 121.223 -0.320 0.000 2.282 357 L HA 0.528 4.863 4.340 -0.009 0.000 0.288 357 L C -0.732 175.878 176.870 -0.433 0.000 1.033 357 L CA -0.350 54.344 54.840 -0.244 0.000 0.807 357 L CB 0.925 42.880 42.059 -0.174 0.000 1.209 357 L HN 0.407 nan 8.230 nan 0.000 0.423 358 F N 0.631 120.516 119.950 -0.108 0.000 2.557 358 F HA 0.688 5.210 4.527 -0.009 0.000 0.336 358 F C 0.516 176.488 175.800 0.288 0.000 1.058 358 F CA -0.520 57.475 58.000 -0.007 0.000 0.988 358 F CB 2.240 40.971 39.000 -0.449 0.000 1.275 358 F HN 0.263 nan 8.300 nan 0.000 0.488 359 T N 0.757 115.748 114.554 0.729 0.000 2.889 359 T HA 0.421 4.766 4.350 -0.009 0.000 0.315 359 T C -0.729 174.403 174.700 0.720 0.000 1.291 359 T CA -0.354 62.154 62.100 0.680 0.000 1.028 359 T CB 1.208 70.316 68.868 0.399 0.000 1.235 359 T HN 0.396 nan 8.240 nan 0.000 0.491 360 L N 2.372 123.899 121.223 0.506 0.000 2.693 360 L HA 0.496 4.831 4.340 -0.009 0.000 0.235 360 L C 0.180 177.241 176.870 0.318 0.000 1.127 360 L CA 0.518 55.554 54.840 0.326 0.000 0.914 360 L CB 0.407 42.505 42.059 0.066 0.000 1.193 360 L HN 0.615 nan 8.230 nan 0.000 0.502 361 D N -0.526 119.994 120.400 0.199 0.000 2.438 361 D HA 0.141 4.775 4.640 -0.009 0.000 0.257 361 D C 0.973 177.166 176.300 -0.178 0.000 1.148 361 D CA 0.002 54.033 54.000 0.052 0.000 0.902 361 D CB 0.849 41.709 40.800 0.101 0.000 1.062 361 D HN 0.129 nan 8.370 nan 0.000 0.518 362 E N 0.636 120.615 120.200 -0.368 0.000 2.267 362 E HA -0.160 4.185 4.350 -0.009 0.000 0.197 362 E C 1.596 177.922 176.600 -0.457 0.000 0.998 362 E CA 1.315 57.275 56.400 -0.733 0.000 0.830 362 E CB 0.175 29.595 29.700 -0.467 0.000 0.751 362 E HN 0.603 nan 8.360 nan 0.000 0.491 363 T N -1.451 112.985 114.554 -0.197 0.000 2.962 363 T HA -0.117 4.228 4.350 -0.009 0.000 0.270 363 T C 2.020 176.705 174.700 -0.026 0.000 1.088 363 T CA 1.405 63.464 62.100 -0.069 0.000 1.127 363 T CB -0.465 68.387 68.868 -0.026 0.000 0.883 363 T HN 0.189 nan 8.240 nan 0.000 0.493 364 T N -1.825 112.701 114.554 -0.046 0.000 3.088 364 T HA 0.091 4.435 4.350 -0.009 0.000 0.259 364 T C 1.445 176.177 174.700 0.053 0.000 1.122 364 T CA -0.138 61.989 62.100 0.045 0.000 1.095 364 T CB -0.585 68.382 68.868 0.165 0.000 0.930 364 T HN 0.274 nan 8.240 nan 0.000 0.508 365 Y N 3.478 123.784 120.300 0.009 0.000 2.014 365 Y HA -0.151 4.394 4.550 -0.008 0.000 0.270 365 Y C 3.173 179.024 175.900 -0.081 0.000 1.145 365 Y CA 1.162 59.234 58.100 -0.047 0.000 1.106 365 Y CB -1.122 37.309 38.460 -0.050 0.000 0.968 365 Y HN 0.487 nan 8.280 nan 0.000 0.484 366 S N -0.489 115.287 115.700 0.127 0.000 2.501 366 S HA 0.012 4.477 4.470 -0.009 0.000 0.220 366 S C 2.010 176.628 174.600 0.029 0.000 0.997 366 S CA 0.345 58.566 58.200 0.035 0.000 0.919 366 S CB -0.022 63.191 63.200 0.022 0.000 0.778 366 S HN 0.379 nan 8.310 nan 0.000 0.523 367 R N 0.977 121.504 120.500 0.046 0.000 2.075 367 R HA 0.120 4.454 4.340 -0.009 0.000 0.220 367 R C 1.756 178.084 176.300 0.047 0.000 1.118 367 R CA 1.490 57.615 56.100 0.042 0.000 0.986 367 R CB 0.075 30.404 30.300 0.049 0.000 0.884 367 R HN 0.589 nan 8.270 nan 0.000 0.439 368 E N -0.372 119.861 120.200 0.056 0.000 2.419 368 E HA 0.055 4.400 4.350 -0.009 0.000 0.197 368 E C 2.140 178.746 176.600 0.011 0.000 0.920 368 E CA -0.094 56.344 56.400 0.063 0.000 1.085 368 E CB 0.001 29.786 29.700 0.141 0.000 1.084 368 E HN 0.116 nan 8.360 nan 0.000 0.490 369 L N 1.517 122.709 121.223 -0.051 0.000 1.989 369 L HA -0.172 4.163 4.340 -0.009 0.000 0.211 369 L C 2.719 179.559 176.870 -0.049 0.000 1.071 369 L CA 1.507 56.281 54.840 -0.110 0.000 0.749 369 L CB -0.619 41.369 42.059 -0.118 0.000 0.890 369 L HN 0.163 nan 8.230 nan 0.000 0.431 370 A N 0.200 122.994 122.820 -0.043 0.000 1.877 370 A HA -0.112 4.203 4.320 -0.009 0.000 0.216 370 A C -0.002 177.570 177.584 -0.020 0.000 1.186 370 A CA 1.575 53.573 52.037 -0.066 0.000 0.620 370 A CB -1.760 17.172 19.000 -0.112 0.000 0.822 370 A HN 0.286 nan 8.150 nan 0.000 0.443 371 P HA -0.136 nan 4.420 nan 0.000 0.215 371 P C 1.509 178.859 177.300 0.083 0.000 1.153 371 P CA 0.853 63.971 63.100 0.031 0.000 0.853 371 P CB -0.111 31.604 31.700 0.026 0.000 0.788 372 L N -1.051 120.235 121.223 0.104 0.000 2.005 372 L HA -0.148 4.187 4.340 -0.009 0.000 0.207 372 L C 2.453 179.473 176.870 0.250 0.000 1.072 372 L CA 1.761 56.732 54.840 0.218 0.000 0.744 372 L CB -1.188 40.953 42.059 0.137 0.000 0.895 372 L HN -0.054 nan 8.230 nan 0.000 0.433 373 A N -0.079 122.807 122.820 0.111 0.000 2.015 373 A HA -0.051 4.263 4.320 -0.009 0.000 0.219 373 A C 2.131 179.755 177.584 0.067 0.000 1.163 373 A CA 1.340 53.423 52.037 0.077 0.000 0.646 373 A CB -0.900 18.101 19.000 0.001 0.000 0.806 373 A HN 0.458 nan 8.150 nan 0.000 0.448 374 G N -2.449 106.386 108.800 0.057 0.000 3.026 374 G HA2 0.147 4.102 3.960 -0.009 0.000 0.208 374 G HA3 0.147 4.102 3.960 -0.009 0.000 0.208 374 G C 0.931 175.871 174.900 0.067 0.000 1.169 374 G CA 1.071 46.195 45.100 0.040 0.000 0.788 374 G HN 0.750 nan 8.290 nan 0.000 0.533 375 H N -1.521 117.535 119.070 -0.022 0.000 2.176 375 H HA 0.310 4.861 4.556 -0.008 0.000 0.228 375 H C -0.321 174.909 175.328 -0.164 0.000 0.879 375 H CA -0.409 55.562 56.048 -0.129 0.000 1.027 375 H CB 0.423 30.047 29.762 -0.231 0.000 1.356 375 H HN 0.144 nan 8.280 nan 0.000 0.425 376 Y N 2.166 122.500 120.300 0.057 0.000 2.436 376 Y HA 0.178 4.722 4.550 -0.009 0.000 0.336 376 Y C -1.476 174.397 175.900 -0.045 0.000 1.049 376 Y CA -2.169 55.934 58.100 0.006 0.000 1.294 376 Y CB 0.900 39.410 38.460 0.084 0.000 1.179 376 Y HN 0.333 nan 8.280 nan 0.000 0.520 377 P HA -0.245 nan 4.420 nan 0.000 0.217 377 P C 1.426 178.754 177.300 0.047 0.000 1.148 377 P CA 1.706 64.817 63.100 0.019 0.000 0.828 377 P CB 0.089 31.787 31.700 -0.002 0.000 0.783 378 V N -5.187 114.778 119.914 0.086 0.000 3.235 378 V HA 0.068 4.183 4.120 -0.009 0.000 0.259 378 V C 0.787 176.894 176.094 0.021 0.000 1.133 378 V CA 0.567 62.892 62.300 0.042 0.000 1.128 378 V CB -0.802 31.041 31.823 0.032 0.000 0.757 378 V HN -0.147 nan 8.190 nan 0.000 0.469 379 L N 1.569 122.823 121.223 0.053 0.000 2.312 379 L HA 0.693 5.027 4.340 -0.009 0.000 0.281 379 L C -0.050 176.816 176.870 -0.007 0.000 1.070 379 L CA 0.125 54.975 54.840 0.017 0.000 0.805 379 L CB 1.132 43.223 42.059 0.054 0.000 1.174 379 L HN 0.299 nan 8.230 nan 0.000 0.434 380 K N 1.935 122.301 120.400 -0.057 0.000 2.512 380 K HA 0.678 4.993 4.320 -0.009 0.000 0.263 380 K C -1.589 174.937 176.600 -0.124 0.000 0.966 380 K CA -0.450 55.794 56.287 -0.072 0.000 0.851 380 K CB 1.817 34.263 32.500 -0.090 0.000 1.395 380 K HN 0.402 nan 8.250 nan 0.000 0.440 381 L N 2.341 123.506 121.223 -0.096 0.000 2.287 381 L HA 0.520 4.854 4.340 -0.009 0.000 0.287 381 L C 0.615 177.390 176.870 -0.159 0.000 1.022 381 L CA -0.976 53.802 54.840 -0.104 0.000 0.814 381 L CB 1.614 43.685 42.059 0.020 0.000 1.217 381 L HN 0.752 nan 8.230 nan 0.000 0.420 382 G N 3.775 112.247 108.800 -0.547 0.000 2.569 382 G HA2 0.379 4.334 3.960 -0.009 0.000 0.249 382 G HA3 0.379 4.334 3.960 -0.009 0.000 0.249 382 G C -2.409 172.248 174.900 -0.405 0.000 1.216 382 G CA -0.805 43.805 45.100 -0.818 0.000 0.845 382 G HN 0.333 nan 8.290 nan 0.000 0.568 383 P HA 0.079 nan 4.420 nan 0.000 0.271 383 P C 0.492 177.661 177.300 -0.219 0.000 1.244 383 P CA -0.231 62.615 63.100 -0.424 0.000 0.793 383 P CB 0.501 32.205 31.700 0.006 0.000 0.984 384 S N 0.208 115.693 115.700 -0.357 0.000 2.546 384 S HA 0.109 4.574 4.470 -0.009 0.000 0.290 384 S C -0.622 174.281 174.600 0.506 0.000 1.290 384 S CA -0.525 57.817 58.200 0.236 0.000 1.069 384 S CB -0.360 63.014 63.200 0.290 0.000 0.846 384 S HN 0.577 nan 8.310 nan 0.000 0.495 385 W N 6.209 127.780 121.300 0.452 0.000 2.666 385 W HA 0.542 5.197 4.660 -0.009 0.000 0.334 385 W C 0.125 176.913 176.519 0.447 0.000 1.051 385 W CA -1.109 56.486 57.345 0.416 0.000 1.224 385 W CB 0.341 30.080 29.460 0.465 0.000 1.405 385 W HN 0.878 nan 8.180 nan 0.000 0.513 386 W N 3.186 124.435 121.300 -0.086 0.000 2.251 386 W HA -0.435 4.220 4.660 -0.008 0.000 0.290 386 W C 1.353 177.749 176.519 -0.205 0.000 1.848 386 W CA 2.293 59.395 57.345 -0.404 0.000 2.012 386 W CB -2.073 26.741 29.460 -1.077 0.000 0.939 386 W HN 0.478 nan 8.180 nan 0.000 0.450 387 F N 1.020 121.042 119.950 0.120 0.000 2.451 387 F HA -0.085 4.437 4.527 -0.008 0.000 0.299 387 F C 2.214 178.045 175.800 0.052 0.000 1.101 387 F CA 1.879 59.873 58.000 -0.009 0.000 1.436 387 F CB -0.646 38.135 39.000 -0.365 0.000 1.074 387 F HN 0.047 nan 8.300 nan 0.000 0.553 388 H N -0.897 118.432 119.070 0.431 0.000 2.586 388 H HA 0.064 4.615 4.556 -0.009 0.000 0.273 388 H C 0.892 176.437 175.328 0.361 0.000 0.997 388 H CA 0.496 56.764 56.048 0.367 0.000 1.177 388 H CB -0.575 29.407 29.762 0.367 0.000 1.471 388 H HN 0.331 nan 8.280 nan 0.000 0.538 389 D N 1.098 121.783 120.400 0.474 0.000 2.355 389 D HA -0.059 4.576 4.640 -0.009 0.000 0.253 389 D C 0.570 177.151 176.300 0.468 0.000 1.187 389 D CA -0.110 54.171 54.000 0.468 0.000 0.900 389 D CB -0.360 40.717 40.800 0.462 0.000 0.915 389 D HN 0.141 nan 8.370 nan 0.000 0.516 390 S N -1.458 114.460 115.700 0.364 0.000 2.672 390 S HA 0.427 4.892 4.470 -0.009 0.000 0.276 390 S C -1.700 173.004 174.600 0.173 0.000 1.207 390 S CA -1.239 57.096 58.200 0.224 0.000 1.002 390 S CB 1.892 65.197 63.200 0.174 0.000 0.998 390 S HN -0.232 nan 8.310 nan 0.000 0.542 391 P HA -0.143 nan 4.420 nan 0.000 0.216 391 P C 1.333 178.687 177.300 0.090 0.000 1.157 391 P CA 1.356 64.498 63.100 0.070 0.000 0.880 391 P CB 0.044 31.754 31.700 0.018 0.000 0.791 392 E N -1.049 119.205 120.200 0.090 0.000 2.152 392 E HA -0.049 4.296 4.350 -0.009 0.000 0.192 392 E C 2.280 178.963 176.600 0.139 0.000 0.983 392 E CA 1.366 57.825 56.400 0.098 0.000 0.818 392 E CB -0.947 28.800 29.700 0.079 0.000 0.758 392 E HN 0.284 nan 8.360 nan 0.000 0.467 393 G N 0.965 109.880 108.800 0.192 0.000 2.408 393 G HA2 -0.214 3.740 3.960 -0.009 0.000 0.217 393 G HA3 -0.214 3.740 3.960 -0.009 0.000 0.217 393 G C 1.661 176.715 174.900 0.256 0.000 1.150 393 G CA 0.432 45.687 45.100 0.260 0.000 0.776 393 G HN 0.112 nan 8.290 nan 0.000 0.542 394 M N -0.619 119.105 119.600 0.207 0.000 2.175 394 M HA 0.075 4.550 4.480 -0.009 0.000 0.264 394 M C 2.491 178.866 176.300 0.125 0.000 1.063 394 M CA 1.133 56.531 55.300 0.164 0.000 1.119 394 M CB -0.141 32.531 32.600 0.120 0.000 1.377 394 M HN 0.286 nan 8.290 nan 0.000 0.415 395 M N 0.176 119.837 119.600 0.101 0.000 2.200 395 M HA -0.090 4.385 4.480 -0.009 0.000 0.265 395 M C 1.993 178.303 176.300 0.016 0.000 1.066 395 M CA 1.828 57.163 55.300 0.058 0.000 1.127 395 M CB -0.265 32.394 32.600 0.100 0.000 1.379 395 M HN 0.018 nan 8.290 nan 0.000 0.420 396 R N -1.432 119.114 120.500 0.076 0.000 2.096 396 R HA -0.140 4.195 4.340 -0.009 0.000 0.235 396 R C 2.198 178.493 176.300 -0.009 0.000 1.127 396 R CA 1.730 57.873 56.100 0.073 0.000 0.968 396 R CB -0.730 29.660 30.300 0.148 0.000 0.861 396 R HN 0.435 nan 8.270 nan 0.000 0.440 397 F N 1.871 121.701 119.950 -0.200 0.000 2.025 397 F HA -0.299 4.223 4.527 -0.009 0.000 0.297 397 F C 2.444 177.944 175.800 -0.499 0.000 1.132 397 F CA 1.560 59.236 58.000 -0.540 0.000 1.191 397 F CB 0.030 38.803 39.000 -0.377 0.000 0.963 397 F HN -0.159 nan 8.300 nan 0.000 0.481 398 R N 0.797 121.039 120.500 -0.430 0.000 2.091 398 R HA -0.171 4.164 4.340 -0.009 0.000 0.238 398 R C 2.075 177.915 176.300 -0.767 0.000 1.136 398 R CA 1.904 57.487 56.100 -0.862 0.000 0.959 398 R CB -1.133 28.296 30.300 -1.452 0.000 0.856 398 R HN 0.519 nan 8.270 nan 0.000 0.437 399 E N 0.393 120.344 120.200 -0.416 0.000 2.150 399 E HA -0.169 4.176 4.350 -0.009 0.000 0.193 399 E C 1.888 178.409 176.600 -0.133 0.000 0.985 399 E CA 0.948 57.286 56.400 -0.102 0.000 0.814 399 E CB 0.074 29.786 29.700 0.020 0.000 0.752 399 E HN 0.444 nan 8.360 nan 0.000 0.466 400 Q N -0.632 119.030 119.800 -0.230 0.000 2.392 400 Q HA 0.055 4.389 4.340 -0.009 0.000 0.219 400 Q C 1.903 177.733 176.000 -0.283 0.000 0.895 400 Q CA 0.206 55.904 55.803 -0.176 0.000 0.929 400 Q CB 0.891 29.604 28.738 -0.042 0.000 1.077 400 Q HN 0.077 nan 8.270 nan 0.000 0.532 401 V N -0.209 119.382 119.914 -0.537 0.000 2.685 401 V HA -0.112 4.003 4.120 -0.009 0.000 0.244 401 V C 1.911 177.727 176.094 -0.463 0.000 1.054 401 V CA 1.663 63.601 62.300 -0.603 0.000 1.076 401 V CB 0.123 31.256 31.823 -1.150 0.000 0.725 401 V HN 0.325 nan 8.190 nan 0.000 0.467 402 T N -0.307 113.950 114.554 -0.495 0.000 2.746 402 T HA -0.227 4.117 4.350 -0.009 0.000 0.267 402 T C 1.814 176.336 174.700 -0.297 0.000 1.039 402 T CA 1.784 63.587 62.100 -0.494 0.000 1.142 402 T CB -0.162 68.389 68.868 -0.528 0.000 0.866 402 T HN 0.402 nan 8.240 nan 0.000 0.444 403 E N 0.446 120.535 120.200 -0.186 0.000 2.114 403 E HA -0.152 4.193 4.350 -0.009 0.000 0.199 403 E C 2.146 178.693 176.600 -0.089 0.000 1.008 403 E CA 1.885 58.224 56.400 -0.101 0.000 0.810 403 E CB -0.140 29.518 29.700 -0.069 0.000 0.739 403 E HN 0.454 nan 8.360 nan 0.000 0.456 404 T N -1.549 112.941 114.554 -0.107 0.000 3.038 404 T HA 0.273 4.618 4.350 -0.009 0.000 0.244 404 T C 1.600 176.256 174.700 -0.074 0.000 1.016 404 T CA 0.478 62.535 62.100 -0.071 0.000 1.098 404 T CB 0.199 69.034 68.868 -0.055 0.000 0.954 404 T HN 0.213 nan 8.240 nan 0.000 0.469 405 A N 0.872 123.617 122.820 -0.125 0.000 1.984 405 A HA 0.592 4.907 4.320 -0.009 0.000 0.214 405 A C 1.486 179.011 177.584 -0.099 0.000 1.173 405 A CA 1.000 52.972 52.037 -0.107 0.000 0.673 405 A CB -0.862 18.048 19.000 -0.150 0.000 0.830 405 A HN 0.801 nan 8.150 nan 0.000 0.453 406 G N -2.001 106.685 108.800 -0.189 0.000 2.782 406 G HA2 -0.182 3.772 3.960 -0.009 0.000 0.228 406 G HA3 -0.182 3.772 3.960 -0.009 0.000 0.228 406 G C 0.148 174.858 174.900 -0.317 0.000 1.372 406 G CA 0.005 44.979 45.100 -0.210 0.000 0.862 406 G HN 0.415 nan 8.290 nan 0.000 0.547 407 F N -0.951 118.936 119.950 -0.105 0.000 2.416 407 F HA 0.234 4.757 4.527 -0.006 0.000 0.296 407 F C 2.328 177.945 175.800 -0.305 0.000 1.099 407 F CA 1.266 59.108 58.000 -0.264 0.000 1.427 407 F CB -0.112 38.613 39.000 -0.458 0.000 1.079 407 F HN 0.402 nan 8.300 nan 0.000 0.536 408 Y N -0.864 119.550 120.300 0.190 0.000 2.511 408 Y HA 0.075 4.619 4.550 -0.010 0.000 0.279 408 Y C 1.400 177.338 175.900 0.062 0.000 1.157 408 Y CA 0.145 58.318 58.100 0.122 0.000 1.300 408 Y CB -0.410 38.110 38.460 0.100 0.000 1.052 408 Y HN -0.020 nan 8.280 nan 0.000 0.529 409 N N -0.067 118.706 118.700 0.123 0.000 2.230 409 N HA 0.024 4.759 4.740 -0.009 0.000 0.202 409 N C 0.377 175.898 175.510 0.018 0.000 1.119 409 N CA 0.410 53.492 53.050 0.053 0.000 0.851 409 N CB 0.350 38.849 38.487 0.020 0.000 0.990 409 N HN 0.275 nan 8.380 nan 0.000 0.497 410 T N -2.846 111.733 114.554 0.041 0.000 2.948 410 T HA 0.417 4.762 4.350 -0.009 0.000 0.285 410 T C 1.147 175.892 174.700 0.076 0.000 1.019 410 T CA -0.714 61.429 62.100 0.072 0.000 1.013 410 T CB 1.891 70.849 68.868 0.150 0.000 1.117 410 T HN -0.140 nan 8.240 nan 0.000 0.533 411 V N -2.176 117.786 119.914 0.080 0.000 3.528 411 V HA 0.653 4.768 4.120 -0.009 0.000 0.294 411 V C 1.217 177.421 176.094 0.183 0.000 1.404 411 V CA 0.778 63.141 62.300 0.106 0.000 1.065 411 V CB -0.960 30.902 31.823 0.065 0.000 0.904 411 V HN 1.693 nan 8.190 nan 0.000 0.435 412 G N 1.089 109.997 108.800 0.181 0.000 2.848 412 G HA2 -0.153 3.802 3.960 -0.009 0.000 0.246 412 G HA3 -0.153 3.802 3.960 -0.009 0.000 0.246 412 G C -0.533 174.529 174.900 0.270 0.000 1.374 412 G CA 0.233 45.466 45.100 0.222 0.000 0.982 412 G HN 1.353 nan 8.290 nan 0.000 0.563 413 F N 3.161 123.164 119.950 0.089 0.000 2.628 413 F HA 0.632 5.154 4.527 -0.009 0.000 0.309 413 F C -0.898 174.923 175.800 0.034 0.000 1.108 413 F CA -0.355 57.663 58.000 0.030 0.000 0.971 413 F CB 1.641 40.618 39.000 -0.038 0.000 1.279 413 F HN 0.938 nan 8.300 nan 0.000 0.441 414 N N 3.092 121.245 118.700 -0.911 0.000 2.229 414 N HA 0.270 5.005 4.740 -0.009 0.000 0.298 414 N C -0.908 173.787 175.510 -1.358 0.000 1.114 414 N CA -0.419 52.118 53.050 -0.854 0.000 0.776 414 N CB 2.286 40.599 38.487 -0.291 0.000 1.501 414 N HN 0.652 nan 8.380 nan 0.000 0.474 415 D N -0.764 119.165 120.400 -0.785 0.000 2.149 415 D HA -0.122 4.513 4.640 -0.009 0.000 0.201 415 D C -0.138 175.979 176.300 -0.304 0.000 0.972 415 D CA 0.422 54.126 54.000 -0.494 0.000 0.835 415 D CB -0.164 40.546 40.800 -0.149 0.000 0.966 415 D HN 0.716 nan 8.370 nan 0.000 0.476 416 D N -0.591 119.667 120.400 -0.236 0.000 2.737 416 D HA -0.183 4.452 4.640 -0.009 0.000 0.238 416 D C -1.104 175.155 176.300 -0.069 0.000 1.157 416 D CA 1.254 55.161 54.000 -0.155 0.000 0.694 416 D CB -1.138 39.677 40.800 0.024 0.000 1.021 416 D HN 0.310 nan 8.370 nan 0.000 0.420 417 T N -0.539 113.969 114.554 -0.076 0.000 2.896 417 T HA 0.547 4.892 4.350 -0.009 0.000 0.297 417 T C 0.615 175.372 174.700 0.095 0.000 1.108 417 T CA -0.414 61.684 62.100 -0.003 0.000 1.004 417 T CB 1.744 70.541 68.868 -0.119 0.000 1.159 417 T HN 0.196 nan 8.240 nan 0.000 0.499 418 R N 1.797 122.383 120.500 0.144 0.000 2.189 418 R HA 0.476 4.811 4.340 -0.009 0.000 0.203 418 R C 0.926 177.429 176.300 0.339 0.000 1.012 418 R CA 0.555 56.798 56.100 0.238 0.000 1.015 418 R CB -0.152 30.276 30.300 0.213 0.000 0.938 418 R HN 0.615 nan 8.270 nan 0.000 0.472 419 A N 1.362 124.287 122.820 0.174 0.000 2.541 419 A HA -0.002 4.312 4.320 -0.009 0.000 0.293 419 A C 0.470 178.133 177.584 0.132 0.000 1.307 419 A CA -0.240 51.858 52.037 0.101 0.000 0.978 419 A CB -0.664 18.314 19.000 -0.037 0.000 1.111 419 A HN 0.548 nan 8.150 nan 0.000 0.535 420 F N 3.048 123.038 119.950 0.068 0.000 2.186 420 F HA -0.112 4.410 4.527 -0.009 0.000 0.299 420 F C 1.399 177.256 175.800 0.095 0.000 1.090 420 F CA 1.615 59.709 58.000 0.157 0.000 1.307 420 F CB -0.075 39.061 39.000 0.227 0.000 1.019 420 F HN 0.464 nan 8.300 nan 0.000 0.489 421 L N 0.192 121.322 121.223 -0.155 0.000 2.275 421 L HA -0.118 4.217 4.340 -0.009 0.000 0.215 421 L C 2.600 179.235 176.870 -0.392 0.000 1.119 421 L CA 1.675 56.368 54.840 -0.244 0.000 0.790 421 L CB -0.983 41.024 42.059 -0.086 0.000 0.919 421 L HN 0.342 nan 8.230 nan 0.000 0.443 422 S N -1.798 113.715 115.700 -0.312 0.000 2.562 422 S HA 0.028 4.493 4.470 -0.009 0.000 0.221 422 S C 1.917 176.259 174.600 -0.430 0.000 0.975 422 S CA 0.091 58.074 58.200 -0.362 0.000 0.918 422 S CB -0.506 62.482 63.200 -0.353 0.000 0.772 422 S HN 0.369 nan 8.310 nan 0.000 0.531 423 I N 2.776 123.103 120.570 -0.405 0.000 2.127 423 I HA -0.084 4.081 4.170 -0.009 0.000 0.241 423 I C -0.359 175.589 176.117 -0.282 0.000 1.075 423 I CA 1.195 62.332 61.300 -0.271 0.000 1.334 423 I CB -1.294 36.599 38.000 -0.179 0.000 1.040 423 I HN 0.289 nan 8.210 nan 0.000 0.405 424 P HA -0.151 nan 4.420 nan 0.000 0.218 424 P C 1.400 178.448 177.300 -0.419 0.000 1.149 424 P CA 1.860 64.694 63.100 -0.443 0.000 0.817 424 P CB -0.012 31.302 31.700 -0.643 0.000 0.785 425 A N 0.803 123.248 122.820 -0.625 0.000 1.877 425 A HA -0.187 4.128 4.320 -0.009 0.000 0.216 425 A C 2.440 179.828 177.584 -0.328 0.000 1.186 425 A CA 1.589 53.140 52.037 -0.809 0.000 0.620 425 A CB -1.177 17.526 19.000 -0.494 0.000 0.822 425 A HN 0.077 nan 8.150 nan 0.000 0.443 426 R N -1.540 118.763 120.500 -0.328 0.000 2.075 426 R HA -0.060 4.275 4.340 -0.009 0.000 0.232 426 R C 2.197 178.417 176.300 -0.134 0.000 1.126 426 R CA 1.337 57.281 56.100 -0.260 0.000 0.963 426 R CB -0.412 29.645 30.300 -0.405 0.000 0.858 426 R HN 0.666 nan 8.270 nan 0.000 0.435 427 H N -0.307 118.721 119.070 -0.070 0.000 2.428 427 H HA -0.086 4.465 4.556 -0.008 0.000 0.296 427 H C 1.409 176.665 175.328 -0.120 0.000 1.062 427 H CA 1.504 57.512 56.048 -0.067 0.000 1.350 427 H CB 0.114 29.908 29.762 0.054 0.000 1.403 427 H HN 0.242 nan 8.280 nan 0.000 0.533 428 D N 0.289 120.708 120.400 0.032 0.000 2.084 428 D HA -0.127 4.508 4.640 -0.009 0.000 0.194 428 D C 2.324 178.637 176.300 0.022 0.000 0.990 428 D CA 0.972 55.031 54.000 0.099 0.000 0.826 428 D CB 0.050 40.933 40.800 0.139 0.000 0.971 428 D HN -0.028 nan 8.370 nan 0.000 0.453 429 V N 0.796 120.699 119.914 -0.019 0.000 2.317 429 V HA -0.314 3.801 4.120 -0.009 0.000 0.251 429 V C 2.492 178.511 176.094 -0.124 0.000 1.065 429 V CA 2.010 64.295 62.300 -0.025 0.000 1.049 429 V CB -0.968 30.938 31.823 0.139 0.000 0.651 429 V HN 0.354 nan 8.190 nan 0.000 0.450 430 A N -0.334 122.288 122.820 -0.330 0.000 1.902 430 A HA -0.223 4.092 4.320 -0.009 0.000 0.217 430 A C 2.360 179.846 177.584 -0.163 0.000 1.181 430 A CA 1.874 53.624 52.037 -0.479 0.000 0.623 430 A CB -0.470 17.759 19.000 -1.285 0.000 0.818 430 A HN 0.530 nan 8.150 nan 0.000 0.443 431 R N -0.790 119.684 120.500 -0.043 0.000 2.092 431 R HA -0.030 4.305 4.340 -0.009 0.000 0.231 431 R C 2.439 178.864 176.300 0.208 0.000 1.119 431 R CA 1.415 57.604 56.100 0.149 0.000 0.970 431 R CB -0.220 30.253 30.300 0.288 0.000 0.864 431 R HN 0.490 nan 8.270 nan 0.000 0.440 432 R N -0.121 120.415 120.500 0.060 0.000 2.073 432 R HA -0.034 4.301 4.340 -0.009 0.000 0.229 432 R C 2.210 178.594 176.300 0.141 0.000 1.120 432 R CA 1.122 57.219 56.100 -0.005 0.000 0.967 432 R CB -0.211 29.837 30.300 -0.419 0.000 0.862 432 R HN 0.048 nan 8.270 nan 0.000 0.436 433 V N 1.429 121.384 119.914 0.068 0.000 2.453 433 V HA -0.194 3.921 4.120 -0.009 0.000 0.247 433 V C 1.485 177.690 176.094 0.185 0.000 1.048 433 V CA 1.744 64.111 62.300 0.111 0.000 1.049 433 V CB -0.381 31.477 31.823 0.059 0.000 0.672 433 V HN 0.214 nan 8.190 nan 0.000 0.457 434 D N 0.222 120.722 120.400 0.167 0.000 2.117 434 D HA -0.117 4.518 4.640 -0.009 0.000 0.197 434 D C 2.458 178.908 176.300 0.251 0.000 0.987 434 D CA 1.669 55.804 54.000 0.226 0.000 0.829 434 D CB -0.192 40.712 40.800 0.172 0.000 0.961 434 D HN 0.371 nan 8.370 nan 0.000 0.460 435 S N 0.376 116.212 115.700 0.227 0.000 2.368 435 S HA -0.121 4.344 4.470 -0.009 0.000 0.225 435 S C 2.097 176.788 174.600 0.152 0.000 1.030 435 S CA 1.070 59.383 58.200 0.188 0.000 0.999 435 S CB -0.203 63.152 63.200 0.258 0.000 0.844 435 S HN 0.366 nan 8.310 nan 0.000 0.459 436 A N 1.032 123.993 122.820 0.235 0.000 1.902 436 A HA -0.060 4.255 4.320 -0.009 0.000 0.217 436 A C 1.901 179.593 177.584 0.180 0.000 1.181 436 A CA 1.400 53.563 52.037 0.210 0.000 0.623 436 A CB -0.801 18.356 19.000 0.262 0.000 0.818 436 A HN 0.499 nan 8.150 nan 0.000 0.443 437 F N 0.204 120.210 119.950 0.094 0.000 2.084 437 F HA -0.113 4.409 4.527 -0.009 0.000 0.296 437 F C 1.789 177.631 175.800 0.069 0.000 1.111 437 F CA 1.461 59.514 58.000 0.087 0.000 1.224 437 F CB -0.378 38.694 39.000 0.120 0.000 0.991 437 F HN 0.132 nan 8.300 nan 0.000 0.471 438 L N 0.757 121.948 121.223 -0.054 0.000 2.083 438 L HA -0.115 4.220 4.340 -0.009 0.000 0.209 438 L C 2.724 179.463 176.870 -0.219 0.000 1.083 438 L CA 1.841 56.565 54.840 -0.194 0.000 0.752 438 L CB -1.930 40.094 42.059 -0.059 0.000 0.899 438 L HN 0.305 nan 8.230 nan 0.000 0.433 439 A N -1.084 121.663 122.820 -0.122 0.000 1.902 439 A HA -0.228 4.087 4.320 -0.009 0.000 0.217 439 A C 2.506 180.003 177.584 -0.146 0.000 1.181 439 A CA 1.479 53.453 52.037 -0.103 0.000 0.623 439 A CB -0.511 18.485 19.000 -0.007 0.000 0.818 439 A HN 0.297 nan 8.150 nan 0.000 0.443 440 R N -0.922 119.491 120.500 -0.146 0.000 2.120 440 R HA -0.090 4.244 4.340 -0.009 0.000 0.234 440 R C 1.828 177.989 176.300 -0.233 0.000 1.123 440 R CA 1.440 57.450 56.100 -0.150 0.000 0.975 440 R CB -0.295 29.942 30.300 -0.105 0.000 0.866 440 R HN 0.484 nan 8.270 nan 0.000 0.446 441 M N -0.266 119.134 119.600 -0.333 0.000 2.200 441 M HA -0.092 4.383 4.480 -0.009 0.000 0.265 441 M C 2.298 178.432 176.300 -0.277 0.000 1.066 441 M CA 0.966 56.083 55.300 -0.306 0.000 1.127 441 M CB -0.669 31.722 32.600 -0.348 0.000 1.379 441 M HN -0.067 nan 8.290 nan 0.000 0.420 442 V N 0.624 120.331 119.914 -0.345 0.000 2.323 442 V HA -0.152 3.962 4.120 -0.009 0.000 0.244 442 V C 2.742 178.510 176.094 -0.544 0.000 1.041 442 V CA 1.713 63.731 62.300 -0.470 0.000 1.025 442 V CB -1.358 30.031 31.823 -0.724 0.000 0.656 442 V HN 0.461 nan 8.190 nan 0.000 0.451 443 A N -0.461 122.105 122.820 -0.423 0.000 1.972 443 A HA -0.213 4.102 4.320 -0.009 0.000 0.219 443 A C 2.031 179.318 177.584 -0.496 0.000 1.169 443 A CA 1.723 53.584 52.037 -0.294 0.000 0.635 443 A CB -0.375 18.597 19.000 -0.047 0.000 0.810 443 A HN 0.645 nan 8.150 nan 0.000 0.446 444 E N -1.107 118.863 120.200 -0.384 0.000 2.474 444 E HA 0.044 4.389 4.350 -0.009 0.000 0.195 444 E C -0.648 175.839 176.600 -0.188 0.000 1.039 444 E CA -0.036 56.212 56.400 -0.254 0.000 0.881 444 E CB 0.008 29.638 29.700 -0.117 0.000 0.970 444 E HN 0.698 nan 8.360 nan 0.000 0.486 445 H N -0.597 118.430 119.070 -0.072 0.000 2.826 445 H HA -0.163 4.387 4.556 -0.009 0.000 0.306 445 H C 0.758 176.051 175.328 -0.058 0.000 1.235 445 H CA 0.717 56.724 56.048 -0.068 0.000 1.150 445 H CB -1.576 28.163 29.762 -0.039 0.000 1.409 445 H HN 0.294 nan 8.280 nan 0.000 0.420 446 R N -0.027 120.455 120.500 -0.030 0.000 2.290 446 R HA 0.223 4.558 4.340 -0.009 0.000 0.197 446 R C 1.250 177.537 176.300 -0.023 0.000 0.913 446 R CA 0.928 57.015 56.100 -0.021 0.000 1.040 446 R CB 0.675 30.947 30.300 -0.046 0.000 0.992 446 R HN 0.428 nan 8.270 nan 0.000 0.500 447 M N -0.964 118.600 119.600 -0.059 0.000 2.520 447 M HA 0.434 4.908 4.480 -0.009 0.000 0.283 447 M C -1.963 174.290 176.300 -0.078 0.000 1.237 447 M CA -0.961 54.308 55.300 -0.051 0.000 0.885 447 M CB 2.509 35.076 32.600 -0.055 0.000 1.727 447 M HN -0.328 nan 8.290 nan 0.000 0.468 448 D N 2.238 122.606 120.400 -0.052 0.000 2.339 448 D HA 0.186 4.821 4.640 -0.009 0.000 0.245 448 D C 0.982 177.222 176.300 -0.100 0.000 1.115 448 D CA -0.322 53.642 54.000 -0.060 0.000 0.917 448 D CB 1.862 42.646 40.800 -0.027 0.000 1.192 448 D HN 0.704 nan 8.370 nan 0.000 0.428 449 L N 1.946 123.099 121.223 -0.117 0.000 2.079 449 L HA -0.161 4.174 4.340 -0.009 0.000 0.210 449 L C 2.229 179.059 176.870 -0.068 0.000 1.081 449 L CA 1.122 55.887 54.840 -0.125 0.000 0.752 449 L CB -0.055 41.951 42.059 -0.088 0.000 0.896 449 L HN 0.249 nan 8.230 nan 0.000 0.433 450 V N 0.034 119.923 119.914 -0.041 0.000 2.407 450 V HA -0.299 3.816 4.120 -0.009 0.000 0.248 450 V C 2.262 178.340 176.094 -0.027 0.000 1.055 450 V CA 2.045 64.331 62.300 -0.024 0.000 1.049 450 V CB -0.138 31.678 31.823 -0.011 0.000 0.662 450 V HN 0.534 nan 8.190 nan 0.000 0.455 451 E N 0.203 120.382 120.200 -0.035 0.000 2.047 451 E HA -0.135 4.210 4.350 -0.009 0.000 0.191 451 E C 2.329 178.883 176.600 -0.077 0.000 0.987 451 E CA 1.260 57.640 56.400 -0.033 0.000 0.799 451 E CB -0.429 29.258 29.700 -0.022 0.000 0.752 451 E HN 0.685 nan 8.360 nan 0.000 0.449 452 A N 1.516 124.271 122.820 -0.107 0.000 1.940 452 A HA -0.263 4.052 4.320 -0.009 0.000 0.219 452 A C 1.907 179.433 177.584 -0.097 0.000 1.176 452 A CA 1.630 53.584 52.037 -0.138 0.000 0.631 452 A CB -0.439 18.470 19.000 -0.151 0.000 0.814 452 A HN 0.181 nan 8.150 nan 0.000 0.446 453 E N -0.599 119.565 120.200 -0.061 0.000 2.152 453 E HA -0.145 4.200 4.350 -0.009 0.000 0.192 453 E C 1.941 178.527 176.600 -0.024 0.000 0.983 453 E CA 1.021 57.401 56.400 -0.032 0.000 0.818 453 E CB -0.100 29.588 29.700 -0.019 0.000 0.758 453 E HN 0.730 nan 8.360 nan 0.000 0.467 454 E N 0.276 120.462 120.200 -0.023 0.000 2.107 454 E HA -0.140 4.205 4.350 -0.009 0.000 0.191 454 E C 1.906 178.499 176.600 -0.010 0.000 0.982 454 E CA 0.380 56.781 56.400 0.002 0.000 0.809 454 E CB 0.168 29.883 29.700 0.025 0.000 0.756 454 E HN 0.109 nan 8.360 nan 0.000 0.459 455 L N 0.695 121.867 121.223 -0.085 0.000 2.027 455 L HA -0.148 4.187 4.340 -0.009 0.000 0.206 455 L C 2.350 179.151 176.870 -0.116 0.000 1.074 455 L CA 1.466 56.192 54.840 -0.189 0.000 0.745 455 L CB -0.946 40.844 42.059 -0.449 0.000 0.898 455 L HN 0.186 nan 8.230 nan 0.000 0.433 456 I N -2.401 118.131 120.570 -0.063 0.000 2.226 456 I HA -0.177 3.988 4.170 -0.009 0.000 0.245 456 I C 2.359 178.507 176.117 0.051 0.000 1.100 456 I CA 0.955 62.261 61.300 0.011 0.000 1.374 456 I CB -1.392 36.635 38.000 0.044 0.000 1.057 456 I HN -0.086 nan 8.210 nan 0.000 0.413 457 V N 1.218 121.157 119.914 0.042 0.000 2.407 457 V HA -0.245 3.870 4.120 -0.009 0.000 0.248 457 V C 2.277 178.446 176.094 0.125 0.000 1.055 457 V CA 2.150 64.493 62.300 0.072 0.000 1.049 457 V CB -0.915 30.931 31.823 0.038 0.000 0.662 457 V HN 0.390 nan 8.190 nan 0.000 0.455 458 D N 0.157 120.614 120.400 0.094 0.000 2.078 458 D HA -0.117 4.517 4.640 -0.009 0.000 0.193 458 D C 2.071 178.439 176.300 0.112 0.000 0.990 458 D CA 1.107 55.176 54.000 0.115 0.000 0.827 458 D CB -0.310 40.547 40.800 0.097 0.000 0.975 458 D HN 0.182 nan 8.370 nan 0.000 0.451 459 L N 0.896 122.161 121.223 0.069 0.000 2.042 459 L HA -0.145 4.190 4.340 -0.009 0.000 0.210 459 L C 2.481 179.445 176.870 0.156 0.000 1.076 459 L CA 1.619 56.520 54.840 0.102 0.000 0.749 459 L CB -1.384 40.726 42.059 0.086 0.000 0.893 459 L HN 0.062 nan 8.230 nan 0.000 0.432 460 T N -2.680 111.974 114.554 0.166 0.000 2.812 460 T HA -0.163 4.182 4.350 -0.009 0.000 0.264 460 T C 1.566 176.418 174.700 0.254 0.000 1.042 460 T CA 1.608 63.834 62.100 0.210 0.000 1.140 460 T CB -0.118 68.865 68.868 0.192 0.000 0.870 460 T HN 0.305 nan 8.240 nan 0.000 0.445 461 Y N 0.553 120.911 120.300 0.097 0.000 2.886 461 Y HA 0.282 4.829 4.550 -0.004 0.000 0.244 461 Y C 2.138 178.092 175.900 0.089 0.000 1.017 461 Y CA 0.002 58.153 58.100 0.084 0.000 1.389 461 Y CB 0.190 38.683 38.460 0.055 0.000 1.477 461 Y HN -0.061 nan 8.280 nan 0.000 0.466 462 N N 0.482 119.315 118.700 0.222 0.000 2.135 462 N HA -0.117 4.617 4.740 -0.009 0.000 0.186 462 N C 1.615 177.178 175.510 0.088 0.000 1.027 462 N CA 1.345 54.482 53.050 0.144 0.000 0.849 462 N CB -0.420 38.183 38.487 0.193 0.000 1.002 462 N HN 0.259 nan 8.380 nan 0.000 0.425 463 L N 1.284 122.579 121.223 0.119 0.000 2.046 463 L HA -0.037 4.297 4.340 -0.009 0.000 0.208 463 L C -0.667 176.277 176.870 0.124 0.000 1.077 463 L CA 1.650 56.564 54.840 0.124 0.000 0.747 463 L CB -1.791 40.345 42.059 0.128 0.000 0.896 463 L HN 0.109 nan 8.230 nan 0.000 0.432 464 P HA -0.178 nan 4.420 nan 0.000 0.216 464 P C 1.575 178.981 177.300 0.176 0.000 1.150 464 P CA 1.432 64.648 63.100 0.194 0.000 0.837 464 P CB 0.044 31.823 31.700 0.131 0.000 0.786 465 K N -0.220 120.197 120.400 0.029 0.000 2.097 465 K HA -0.093 4.222 4.320 -0.009 0.000 0.205 465 K C 2.015 178.644 176.600 0.049 0.000 1.050 465 K CA 1.286 57.567 56.287 -0.010 0.000 0.938 465 K CB -0.165 32.241 32.500 -0.158 0.000 0.718 465 K HN 0.126 nan 8.250 nan 0.000 0.442 466 K N 0.380 120.811 120.400 0.052 0.000 2.062 466 K HA -0.046 4.269 4.320 -0.009 0.000 0.205 466 K C 2.183 178.802 176.600 0.032 0.000 1.051 466 K CA 1.077 57.391 56.287 0.045 0.000 0.941 466 K CB -0.068 32.464 32.500 0.054 0.000 0.719 466 K HN 0.080 nan 8.250 nan 0.000 0.440 467 A N 0.422 123.260 122.820 0.030 0.000 1.902 467 A HA -0.150 4.165 4.320 -0.009 0.000 0.217 467 A C 1.424 178.892 177.584 -0.193 0.000 1.181 467 A CA 1.288 53.272 52.037 -0.089 0.000 0.623 467 A CB -0.558 18.371 19.000 -0.118 0.000 0.818 467 A HN 0.330 nan 8.150 nan 0.000 0.443 468 Y N -0.559 119.755 120.300 0.024 0.000 2.493 468 Y HA 0.198 4.742 4.550 -0.009 0.000 0.275 468 Y C 0.272 176.189 175.900 0.028 0.000 1.183 468 Y CA 0.129 58.247 58.100 0.031 0.000 1.258 468 Y CB -0.041 38.442 38.460 0.037 0.000 1.108 468 Y HN 0.300 nan 8.280 nan 0.000 0.521 469 K N -0.191 120.271 120.400 0.104 0.000 3.148 469 K HA -0.222 4.093 4.320 -0.009 0.000 0.267 469 K C 0.003 176.647 176.600 0.074 0.000 0.996 469 K CA 0.087 56.414 56.287 0.066 0.000 0.737 469 K CB -1.394 31.135 32.500 0.048 0.000 1.308 469 K HN 0.223 nan 8.250 nan 0.000 0.470 470 L N 0.512 121.779 121.223 0.073 0.000 2.628 470 L HA 0.054 4.388 4.340 -0.009 0.000 0.229 470 L C 1.468 178.328 176.870 -0.016 0.000 1.137 470 L CA 1.012 55.881 54.840 0.049 0.000 0.909 470 L CB 0.167 42.259 42.059 0.055 0.000 1.137 470 L HN 0.180 nan 8.230 nan 0.000 0.470 471 D N -0.264 120.128 120.400 -0.012 0.000 2.224 471 D HA -0.104 4.530 4.640 -0.009 0.000 0.205 471 D C 0.574 176.846 176.300 -0.048 0.000 0.965 471 D CA 0.745 54.729 54.000 -0.026 0.000 0.852 471 D CB 0.261 41.057 40.800 -0.006 0.000 0.947 471 D HN 0.326 nan 8.370 nan 0.000 0.494 472 Q N 1.402 121.173 119.800 -0.049 0.000 2.490 472 Q HA 0.175 4.510 4.340 -0.009 0.000 0.226 472 Q C -0.351 175.565 176.000 -0.140 0.000 1.132 472 Q CA -0.200 55.559 55.803 -0.074 0.000 0.928 472 Q CB 0.844 29.556 28.738 -0.043 0.000 1.299 472 Q HN -0.118 nan 8.270 nan 0.000 0.528 473 R N 2.513 122.887 120.500 -0.210 0.000 2.491 473 R HA 0.256 4.590 4.340 -0.009 0.000 0.283 473 R C -2.065 174.009 176.300 -0.376 0.000 1.072 473 R CA -1.543 54.327 56.100 -0.383 0.000 1.048 473 R CB -0.287 29.784 30.300 -0.381 0.000 0.983 473 R HN 0.425 nan 8.270 nan 0.000 0.450 474 P HA 0.155 nan 4.420 nan 0.000 0.274 474 P C -0.114 176.881 177.300 -0.508 0.000 1.256 474 P CA -0.421 62.361 63.100 -0.530 0.000 0.795 474 P CB 0.583 31.741 31.700 -0.904 0.000 1.038 475 D N -0.766 119.459 120.400 -0.291 0.000 2.183 475 D HA -0.090 4.545 4.640 -0.009 0.000 0.203 475 D C 1.540 177.779 176.300 -0.102 0.000 0.969 475 D CA 0.914 54.827 54.000 -0.145 0.000 0.842 475 D CB -0.381 40.408 40.800 -0.018 0.000 0.957 475 D HN 0.584 nan 8.370 nan 0.000 0.484 476 W N 0.960 122.236 121.300 -0.041 0.000 2.678 476 W HA 0.375 5.032 4.660 -0.006 0.000 0.256 476 W C 0.326 176.803 176.519 -0.069 0.000 1.280 476 W CA -0.049 57.273 57.345 -0.039 0.000 1.345 476 W CB -0.529 28.921 29.460 -0.017 0.000 1.118 476 W HN -0.153 nan 8.180 nan 0.000 0.629 477 A N 2.230 124.751 122.820 -0.499 0.000 2.279 477 A HA 0.522 4.836 4.320 -0.009 0.000 0.303 477 A C 0.377 177.780 177.584 -0.301 0.000 1.108 477 A CA -0.860 50.895 52.037 -0.470 0.000 0.830 477 A CB 0.510 18.978 19.000 -0.886 0.000 1.106 477 A HN 0.179 nan 8.150 nan 0.000 0.493 478 R N 0.470 120.825 120.500 -0.242 0.000 2.734 478 R HA 0.237 4.572 4.340 -0.009 0.000 0.266 478 R C -2.321 173.871 176.300 -0.180 0.000 1.044 478 R CA -0.946 55.050 56.100 -0.174 0.000 1.128 478 R CB -0.275 29.939 30.300 -0.143 0.000 1.010 478 R HN 0.470 nan 8.270 nan 0.000 0.461 479 P HA 0.045 nan 4.420 nan 0.000 0.271 479 P C -1.154 176.096 177.300 -0.083 0.000 1.218 479 P CA -0.124 62.909 63.100 -0.112 0.000 0.780 479 P CB 0.764 32.418 31.700 -0.077 0.000 0.901 480 A N 1.851 124.629 122.820 -0.070 0.000 2.396 480 A HA 0.471 4.786 4.320 -0.009 0.000 0.279 480 A C 0.361 177.947 177.584 0.004 0.000 1.165 480 A CA 0.344 52.373 52.037 -0.013 0.000 0.824 480 A CB -0.557 18.454 19.000 0.017 0.000 1.100 480 A HN 0.492 nan 8.150 nan 0.000 0.516 481 T N 2.639 117.196 114.554 0.005 0.000 2.907 481 T HA 0.623 4.968 4.350 -0.009 0.000 0.292 481 T C -0.062 174.619 174.700 -0.031 0.000 1.043 481 T CA -0.545 61.547 62.100 -0.014 0.000 1.003 481 T CB 0.448 69.304 68.868 -0.020 0.000 1.084 481 T HN 0.483 nan 8.240 nan 0.000 0.483 482 L N 0.000 121.186 121.223 -0.062 0.000 2.949 482 L HA 0.000 4.335 4.340 -0.009 0.000 0.249 482 L CA 0.000 54.777 54.840 -0.104 0.000 0.813 482 L CB 0.000 41.982 42.059 -0.128 0.000 0.961 482 L HN 0.000 nan 8.230 nan 0.000 0.502