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 2p82_1_A DATA FIRST_RESID 26 DATA SEQUENCE DELVWILGKQ HLLKTEKSKL LSDISARLWF TYRRKFSPIG GTGPSSDAGW DATA SEQUENCE GCMLRCGQMM LAQALICRHL GRDWSWEKQK EQPKEYQRIL QCFLDRKDCC DATA SEQUENCE YSIHQMAQMG VGEGKSIGEW FGPNTVAQVL KKLALFDEWN SLAVYVSMDN DATA SEQUENCE TVVIEDIKKM CRVLPLSAXX XXXXXXXXXX XXXXXXXXXX YCSAWKPLLL DATA SEQUENCE IVPLRLGINQ INPVYVDAFK ECFKMPQSLG ALGGKPNNAY YFIGFLGDEL DATA SEQUENCE IFLDPHTTQT FVDTEENGTV NDQTFHCLQS PQRMNILNLD PSVALGFFCK DATA SEQUENCE EEKDFDNWCS LVQKEILKEN LRMFELVQKH PSHW 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 26 D HA 0.000 nan 4.640 nan 0.000 0.175 26 D C 0.000 176.284 176.300 -0.026 0.000 2.045 26 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 26 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 27 E N 0.108 120.294 120.200 -0.023 0.000 2.409 27 E HA 0.188 4.538 4.350 0.000 0.000 0.257 27 E C -0.081 176.485 176.600 -0.057 0.000 1.150 27 E CA -0.604 55.784 56.400 -0.020 0.000 0.942 27 E CB 1.267 30.966 29.700 -0.003 0.000 0.979 27 E HN 0.178 nan 8.360 nan 0.000 0.447 28 L N 2.432 123.618 121.223 -0.062 0.000 2.319 28 L HA 0.116 4.456 4.340 0.000 0.000 0.280 28 L C -0.904 175.833 176.870 -0.221 0.000 1.099 28 L CA 0.006 54.752 54.840 -0.156 0.000 0.828 28 L CB 0.989 42.972 42.059 -0.126 0.000 1.150 28 L HN 0.163 nan 8.230 nan 0.000 0.442 29 V N 4.657 124.391 119.914 -0.299 0.000 2.483 29 V HA 0.394 4.514 4.120 0.000 0.000 0.295 29 V C -0.825 175.014 176.094 -0.424 0.000 1.035 29 V CA -0.625 61.500 62.300 -0.291 0.000 0.896 29 V CB 1.456 33.192 31.823 -0.145 0.000 0.986 29 V HN 0.735 nan 8.190 nan 0.000 0.447 30 W N 4.408 125.468 121.300 -0.400 0.000 2.587 30 W HA 0.743 5.403 4.660 0.000 0.000 0.324 30 W C -0.666 175.804 176.519 -0.080 0.000 1.040 30 W CA -0.504 56.704 57.345 -0.227 0.000 1.222 30 W CB 1.602 30.899 29.460 -0.271 0.000 1.381 30 W HN 0.231 nan 8.180 nan 0.000 0.483 31 I N 5.386 126.132 120.570 0.294 0.000 2.468 31 I HA 0.174 4.344 4.170 0.000 0.000 0.284 31 I C 0.047 176.358 176.117 0.322 0.000 1.038 31 I CA -1.110 60.344 61.300 0.257 0.000 1.083 31 I CB 1.218 39.340 38.000 0.203 0.000 1.223 31 I HN 0.525 nan 8.210 nan 0.000 0.443 32 L N 6.872 128.313 121.223 0.364 0.000 3.795 32 L HA -0.300 4.041 4.340 0.000 0.000 0.489 32 L C 1.253 178.323 176.870 0.333 0.000 1.259 32 L CA 0.841 55.877 54.840 0.326 0.000 0.765 32 L CB -1.735 40.476 42.059 0.253 0.000 1.519 32 L HN 1.085 nan 8.230 nan 0.000 0.842 33 G N -1.397 107.650 108.800 0.411 0.000 2.184 33 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 33 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 33 G C 0.311 175.487 174.900 0.461 0.000 0.975 33 G CA 0.623 45.978 45.100 0.425 0.000 0.642 33 G HN 0.336 nan 8.290 nan 0.000 0.536 34 K N 0.802 121.413 120.400 0.352 0.000 2.270 34 K HA 0.424 4.744 4.320 0.000 0.000 0.255 34 K C 0.448 176.856 176.600 -0.321 0.000 0.936 34 K CA -0.542 55.764 56.287 0.031 0.000 0.809 34 K CB 1.604 34.082 32.500 -0.037 0.000 1.131 34 K HN 0.675 nan 8.250 nan 0.000 0.427 35 Q N 2.383 121.703 119.800 -0.801 0.000 2.230 35 Q HA 0.423 4.764 4.340 0.000 0.000 0.253 35 Q C -0.689 174.753 176.000 -0.929 0.000 0.919 35 Q CA -0.621 54.482 55.803 -1.166 0.000 0.908 35 Q CB 1.683 29.504 28.738 -1.527 0.000 1.245 35 Q HN 0.438 nan 8.270 nan 0.000 0.437 36 H N 2.019 120.831 119.070 -0.432 0.000 2.771 36 H HA 0.356 4.913 4.556 0.000 0.000 0.361 36 H C -0.826 174.355 175.328 -0.244 0.000 1.108 36 H CA -0.748 55.141 56.048 -0.264 0.000 1.201 36 H CB 1.661 31.308 29.762 -0.191 0.000 1.681 36 H HN 0.570 nan 8.280 nan 0.000 0.534 37 L N 3.544 124.727 121.223 -0.068 0.000 2.313 37 L HA -0.013 4.327 4.340 0.000 0.000 0.282 37 L C 1.679 178.517 176.870 -0.054 0.000 1.092 37 L CA -0.371 54.423 54.840 -0.078 0.000 0.831 37 L CB 0.789 42.806 42.059 -0.070 0.000 1.159 37 L HN 0.426 nan 8.230 nan 0.000 0.442 38 L N 4.976 126.161 121.223 -0.062 0.000 2.012 38 L HA -0.245 4.096 4.340 0.000 0.000 0.210 38 L C 2.569 179.407 176.870 -0.053 0.000 1.073 38 L CA 2.693 57.498 54.840 -0.059 0.000 0.748 38 L CB -0.636 41.390 42.059 -0.054 0.000 0.891 38 L HN 0.762 nan 8.230 nan 0.000 0.431 39 K N -1.873 118.500 120.400 -0.044 0.000 2.056 39 K HA -0.021 4.299 4.320 0.000 0.000 0.205 39 K C 2.217 178.793 176.600 -0.039 0.000 1.035 39 K CA 1.366 57.630 56.287 -0.039 0.000 0.955 39 K CB -1.738 30.743 32.500 -0.032 0.000 0.769 39 K HN 0.437 nan 8.250 nan 0.000 0.447 40 T N 0.110 114.642 114.554 -0.037 0.000 2.897 40 T HA -0.109 4.241 4.350 0.000 0.000 0.271 40 T C 0.779 175.457 174.700 -0.035 0.000 1.084 40 T CA 1.819 63.898 62.100 -0.035 0.000 1.123 40 T CB -0.177 68.672 68.868 -0.033 0.000 0.865 40 T HN 0.607 nan 8.240 nan 0.000 0.496 41 E N -0.551 119.627 120.200 -0.037 0.000 3.105 41 E HA 0.229 4.579 4.350 0.000 0.000 0.198 41 E C 1.134 177.704 176.600 -0.051 0.000 0.976 41 E CA -0.250 56.133 56.400 -0.030 0.000 1.219 41 E CB 0.617 30.315 29.700 -0.003 0.000 1.081 41 E HN 0.347 nan 8.360 nan 0.000 0.464 42 K N 0.674 121.036 120.400 -0.064 0.000 2.057 42 K HA -0.141 4.179 4.320 0.000 0.000 0.207 42 K C 2.169 178.705 176.600 -0.107 0.000 1.049 42 K CA 1.528 57.763 56.287 -0.087 0.000 0.931 42 K CB 0.038 32.494 32.500 -0.074 0.000 0.714 42 K HN 0.036 nan 8.250 nan 0.000 0.440 43 S N 0.530 116.178 115.700 -0.087 0.000 2.359 43 S HA -0.164 4.306 4.470 0.000 0.000 0.224 43 S C 1.730 176.265 174.600 -0.109 0.000 1.035 43 S CA 1.588 59.734 58.200 -0.090 0.000 1.018 43 S CB -0.101 63.056 63.200 -0.072 0.000 0.876 43 S HN 0.312 nan 8.310 nan 0.000 0.448 44 K N 0.229 120.570 120.400 -0.097 0.000 2.097 44 K HA -0.070 4.250 4.320 0.000 0.000 0.206 44 K C 2.075 178.493 176.600 -0.304 0.000 1.049 44 K CA 1.324 57.551 56.287 -0.100 0.000 0.933 44 K CB -0.382 32.132 32.500 0.023 0.000 0.717 44 K HN 0.323 nan 8.250 nan 0.000 0.442 45 L N 1.578 122.549 121.223 -0.421 0.000 1.989 45 L HA -0.177 4.164 4.340 0.000 0.000 0.211 45 L C 1.877 178.509 176.870 -0.396 0.000 1.071 45 L CA 1.627 56.059 54.840 -0.681 0.000 0.749 45 L CB -0.552 41.277 42.059 -0.383 0.000 0.890 45 L HN 0.129 nan 8.230 nan 0.000 0.431 46 L N -0.892 120.187 121.223 -0.239 0.000 2.012 46 L HA -0.246 4.094 4.340 0.000 0.000 0.210 46 L C 2.505 179.301 176.870 -0.123 0.000 1.073 46 L CA 1.633 56.373 54.840 -0.165 0.000 0.748 46 L CB -0.710 41.273 42.059 -0.127 0.000 0.891 46 L HN 0.292 nan 8.230 nan 0.000 0.431 47 S N -0.712 114.922 115.700 -0.110 0.000 2.382 47 S HA -0.221 4.249 4.470 0.000 0.000 0.228 47 S C 1.601 176.195 174.600 -0.010 0.000 1.027 47 S CA 1.461 59.636 58.200 -0.042 0.000 0.991 47 S CB -0.309 62.852 63.200 -0.065 0.000 0.823 47 S HN 0.449 nan 8.310 nan 0.000 0.469 48 D N 1.349 121.694 120.400 -0.092 0.000 2.117 48 D HA -0.054 4.586 4.640 0.000 0.000 0.197 48 D C 1.689 177.983 176.300 -0.009 0.000 0.987 48 D CA 0.993 54.973 54.000 -0.032 0.000 0.829 48 D CB -0.232 40.517 40.800 -0.085 0.000 0.961 48 D HN 0.378 nan 8.370 nan 0.000 0.460 49 I N 0.210 120.732 120.570 -0.079 0.000 2.286 49 I HA -0.207 3.963 4.170 0.000 0.000 0.245 49 I C 2.434 178.510 176.117 -0.067 0.000 1.104 49 I CA 1.157 62.409 61.300 -0.080 0.000 1.397 49 I CB -0.298 37.615 38.000 -0.145 0.000 1.072 49 I HN 0.042 nan 8.210 nan 0.000 0.417 50 S N 1.334 117.011 115.700 -0.039 0.000 2.423 50 S HA -0.072 4.398 4.470 0.000 0.000 0.231 50 S C 2.169 176.766 174.600 -0.006 0.000 1.014 50 S CA 0.740 58.935 58.200 -0.010 0.000 0.965 50 S CB -0.459 62.803 63.200 0.102 0.000 0.785 50 S HN 0.375 nan 8.310 nan 0.000 0.495 51 A N 2.378 125.269 122.820 0.118 0.000 2.070 51 A HA 0.041 4.361 4.320 0.000 0.000 0.220 51 A C 1.337 178.987 177.584 0.110 0.000 1.159 51 A CA 0.314 52.431 52.037 0.133 0.000 0.656 51 A CB -0.445 18.699 19.000 0.239 0.000 0.800 51 A HN 0.520 nan 8.150 nan 0.000 0.453 52 R N -0.134 120.406 120.500 0.066 0.000 2.643 52 R HA 0.298 4.638 4.340 0.000 0.000 0.270 52 R C -0.517 175.720 176.300 -0.104 0.000 1.061 52 R CA -0.300 55.832 56.100 0.054 0.000 1.107 52 R CB 0.090 30.442 30.300 0.088 0.000 0.999 52 R HN 0.313 nan 8.270 nan 0.000 0.460 53 L N 2.143 123.276 121.223 -0.151 0.000 2.410 53 L HA 0.118 4.458 4.340 0.000 0.000 0.273 53 L C -0.182 176.438 176.870 -0.417 0.000 1.152 53 L CA -0.111 54.462 54.840 -0.445 0.000 0.855 53 L CB 0.263 42.071 42.059 -0.420 0.000 1.129 53 L HN 0.516 nan 8.230 nan 0.000 0.463 54 W N 5.810 126.651 121.300 -0.764 0.000 2.471 54 W HA 0.500 5.161 4.660 0.000 0.000 0.318 54 W C -1.601 174.516 176.519 -0.670 0.000 1.034 54 W CA -1.222 55.816 57.345 -0.513 0.000 1.224 54 W CB 0.988 30.257 29.460 -0.319 0.000 1.335 54 W HN 0.078 nan 8.180 nan 0.000 0.452 55 F N 4.860 124.682 119.950 -0.213 0.000 2.493 55 F HA 0.511 5.038 4.527 0.000 0.000 0.329 55 F C 0.834 176.326 175.800 -0.514 0.000 1.126 55 F CA -0.750 57.065 58.000 -0.308 0.000 0.937 55 F CB 1.726 40.629 39.000 -0.160 0.000 1.146 55 F HN 0.240 nan 8.300 nan 0.000 0.442 56 T N -1.114 113.167 114.554 -0.456 0.000 2.927 56 T HA 0.541 4.891 4.350 0.000 0.000 0.286 56 T C -0.528 174.046 174.700 -0.211 0.000 1.040 56 T CA -0.766 61.037 62.100 -0.495 0.000 1.010 56 T CB 0.820 69.267 68.868 -0.701 0.000 1.177 56 T HN 0.187 nan 8.240 nan 0.000 0.546 57 Y N 1.217 121.379 120.300 -0.231 0.000 2.890 57 Y HA 0.328 4.878 4.550 0.000 0.000 0.341 57 Y C 1.361 177.199 175.900 -0.103 0.000 1.269 57 Y CA -0.176 57.816 58.100 -0.180 0.000 1.517 57 Y CB 0.172 38.531 38.460 -0.168 0.000 1.314 57 Y HN 0.419 nan 8.280 nan 0.000 0.622 58 R N 2.129 122.733 120.500 0.173 0.000 2.837 58 R HA 0.574 4.914 4.340 0.000 0.000 0.271 58 R C -0.524 175.811 176.300 0.059 0.000 0.993 58 R CA -1.131 55.080 56.100 0.186 0.000 0.931 58 R CB 2.831 33.357 30.300 0.377 0.000 1.206 58 R HN 0.845 nan 8.270 nan 0.000 0.474 59 R N 0.112 120.605 120.500 -0.012 0.000 2.912 59 R HA 0.504 4.845 4.340 0.000 0.000 0.262 59 R C -0.571 175.637 176.300 -0.153 0.000 1.057 59 R CA -0.842 55.133 56.100 -0.209 0.000 0.981 59 R CB 1.019 31.241 30.300 -0.131 0.000 1.201 59 R HN 0.267 nan 8.270 nan 0.000 0.484 60 K N -0.015 120.222 120.400 -0.270 0.000 3.117 60 K HA -0.152 4.168 4.320 0.000 0.000 0.269 60 K C -0.679 175.906 176.600 -0.024 0.000 1.098 60 K CA 1.102 57.324 56.287 -0.108 0.000 0.785 60 K CB -2.029 30.493 32.500 0.037 0.000 1.242 60 K HN 0.593 nan 8.250 nan 0.000 0.491 61 F N -1.452 118.442 119.950 -0.093 0.000 2.410 61 F HA 0.583 5.111 4.527 0.000 0.000 0.324 61 F C 1.124 176.805 175.800 -0.198 0.000 1.093 61 F CA -1.585 56.154 58.000 -0.435 0.000 1.028 61 F CB 0.270 38.927 39.000 -0.571 0.000 1.309 61 F HN -0.116 nan 8.300 nan 0.000 0.499 62 S N 1.790 117.570 115.700 0.133 0.000 2.516 62 S HA 0.285 4.755 4.470 0.000 0.000 0.282 62 S C -2.433 172.395 174.600 0.379 0.000 1.286 62 S CA -1.121 57.182 58.200 0.172 0.000 1.066 62 S CB -0.313 62.917 63.200 0.050 0.000 0.884 62 S HN 0.367 nan 8.310 nan 0.000 0.491 63 P HA 0.004 nan 4.420 nan 0.000 0.260 63 P C -0.506 176.894 177.300 0.167 0.000 1.172 63 P CA 0.393 63.582 63.100 0.149 0.000 0.760 63 P CB 0.032 31.770 31.700 0.064 0.000 0.773 64 I N 2.836 123.467 120.570 0.100 0.000 2.587 64 I HA 0.070 4.240 4.170 0.000 0.000 0.284 64 I C 1.579 177.717 176.117 0.035 0.000 1.134 64 I CA 0.754 62.059 61.300 0.008 0.000 1.410 64 I CB -0.474 37.463 38.000 -0.104 0.000 1.392 64 I HN 0.680 nan 8.210 nan 0.000 0.545 65 G N 4.435 113.268 108.800 0.055 0.000 2.179 65 G HA2 -0.194 3.766 3.960 0.000 0.000 0.257 65 G HA3 -0.194 3.766 3.960 0.000 0.000 0.257 65 G C 1.006 175.917 174.900 0.019 0.000 1.010 65 G CA 0.376 45.489 45.100 0.021 0.000 0.736 65 G HN 1.451 nan 8.290 nan 0.000 0.513 66 G N -1.777 107.046 108.800 0.039 0.000 2.498 66 G HA2 -0.145 3.815 3.960 0.000 0.000 0.229 66 G HA3 -0.145 3.815 3.960 0.000 0.000 0.229 66 G C 1.421 176.332 174.900 0.018 0.000 1.156 66 G CA 1.868 46.984 45.100 0.027 0.000 0.680 66 G HN 2.260 nan 8.290 nan 0.000 0.512 67 T N -0.901 113.657 114.554 0.006 0.000 3.043 67 T HA 0.597 4.948 4.350 0.000 0.000 0.272 67 T C 1.323 176.016 174.700 -0.012 0.000 0.990 67 T CA 1.140 63.238 62.100 -0.004 0.000 0.897 67 T CB 0.958 69.818 68.868 -0.012 0.000 1.111 67 T HN 1.408 nan 8.240 nan 0.000 0.529 68 G N 2.229 111.025 108.800 -0.007 0.000 2.508 68 G HA2 0.581 4.542 3.960 0.000 0.000 0.278 68 G HA3 0.581 4.542 3.960 0.000 0.000 0.278 68 G C -2.712 172.193 174.900 0.008 0.000 1.389 68 G CA -1.667 43.420 45.100 -0.022 0.000 1.050 68 G HN 0.151 nan 8.290 nan 0.000 0.522 69 P HA 0.115 nan 4.420 nan 0.000 0.266 69 P C 0.516 177.870 177.300 0.091 0.000 1.195 69 P CA 0.141 63.298 63.100 0.096 0.000 0.768 69 P CB 1.181 33.051 31.700 0.283 0.000 0.838 70 S N -0.332 115.290 115.700 -0.130 0.000 2.539 70 S HA 0.271 4.742 4.470 0.000 0.000 0.221 70 S C 0.495 174.343 174.600 -1.252 0.000 0.987 70 S CA -0.121 57.790 58.200 -0.482 0.000 0.929 70 S CB -0.091 62.945 63.200 -0.273 0.000 0.832 70 S HN 0.399 nan 8.310 nan 0.000 0.492 71 S N 1.413 116.687 115.700 -0.710 0.000 2.546 71 S HA 0.412 4.883 4.470 0.000 0.000 0.274 71 S C -0.928 173.601 174.600 -0.119 0.000 1.121 71 S CA -0.478 57.367 58.200 -0.592 0.000 0.887 71 S CB 1.532 64.526 63.200 -0.343 0.000 1.094 71 S HN 0.375 nan 8.310 nan 0.000 0.474 72 D N 2.164 122.432 120.400 -0.220 0.000 2.368 72 D HA 0.211 4.851 4.640 0.000 0.000 0.218 72 D C 0.677 176.245 176.300 -1.221 0.000 1.112 72 D CA -0.226 53.191 54.000 -0.973 0.000 0.834 72 D CB 0.023 40.207 40.800 -1.027 0.000 0.953 72 D HN 0.537 nan 8.370 nan 0.000 0.505 73 A N 0.397 122.679 122.820 -0.897 0.000 2.520 73 A HA 0.451 4.771 4.320 0.000 0.000 0.245 73 A C 1.670 178.736 177.584 -0.863 0.000 1.072 73 A CA 0.759 51.997 52.037 -1.332 0.000 0.761 73 A CB -0.229 18.412 19.000 -0.598 0.000 1.004 73 A HN 0.662 nan 8.150 nan 0.000 0.499 74 G N 0.873 109.135 108.800 -0.897 0.000 2.217 74 G HA2 -0.278 3.682 3.960 0.000 0.000 0.246 74 G HA3 -0.278 3.682 3.960 0.000 0.000 0.246 74 G C 0.688 175.655 174.900 0.111 0.000 0.990 74 G CA 1.053 46.060 45.100 -0.154 0.000 0.627 74 G HN 1.808 nan 8.290 nan 0.000 0.522 75 W N -1.518 119.742 121.300 -0.067 0.000 2.166 75 W HA 0.389 5.049 4.660 0.000 0.000 0.196 75 W C 1.292 177.912 176.519 0.168 0.000 0.895 75 W CA 0.671 58.080 57.345 0.106 0.000 1.069 75 W CB -0.334 29.144 29.460 0.030 0.000 0.798 75 W HN 0.609 nan 8.180 nan 0.000 0.647 76 G N 2.400 110.935 108.800 -0.441 0.000 3.088 76 G HA2 -0.030 3.930 3.960 0.000 0.000 0.212 76 G HA3 -0.030 3.930 3.960 0.000 0.000 0.212 76 G C 1.290 176.131 174.900 -0.099 0.000 1.173 76 G CA 1.184 46.011 45.100 -0.456 0.000 0.779 76 G HN 0.357 nan 8.290 nan 0.000 0.540 77 C N -1.278 118.100 119.300 0.130 0.000 2.425 77 C HA 0.029 4.489 4.460 0.000 0.000 0.277 77 C C 2.525 177.471 174.990 -0.073 0.000 1.280 77 C CA 1.065 60.037 59.018 -0.077 0.000 1.744 77 C CB -0.844 26.770 27.740 -0.210 0.000 1.989 77 C HN 0.344 nan 8.230 nan 0.000 0.491 78 M N 1.363 120.904 119.600 -0.099 0.000 2.229 78 M HA 0.103 4.583 4.480 0.000 0.000 0.264 78 M C 2.024 178.191 176.300 -0.222 0.000 1.063 78 M CA 1.523 56.683 55.300 -0.234 0.000 1.114 78 M CB -0.862 31.357 32.600 -0.634 0.000 1.387 78 M HN 0.451 nan 8.290 nan 0.000 0.420 79 L N -0.857 120.209 121.223 -0.262 0.000 2.046 79 L HA -0.216 4.124 4.340 0.000 0.000 0.208 79 L C 2.526 179.316 176.870 -0.133 0.000 1.077 79 L CA 0.920 55.660 54.840 -0.168 0.000 0.747 79 L CB -0.888 41.075 42.059 -0.160 0.000 0.896 79 L HN 0.203 nan 8.230 nan 0.000 0.432 80 R N -0.215 120.201 120.500 -0.141 0.000 2.081 80 R HA -0.111 4.229 4.340 0.000 0.000 0.235 80 R C 2.311 178.562 176.300 -0.081 0.000 1.131 80 R CA 1.470 57.505 56.100 -0.107 0.000 0.960 80 R CB -1.435 28.784 30.300 -0.136 0.000 0.856 80 R HN 0.417 nan 8.270 nan 0.000 0.436 81 C N -0.341 118.910 119.300 -0.081 0.000 2.446 81 C HA -0.001 4.460 4.460 0.000 0.000 0.277 81 C C 2.762 177.634 174.990 -0.197 0.000 1.275 81 C CA 0.712 59.687 59.018 -0.073 0.000 1.727 81 C CB -1.433 26.328 27.740 0.036 0.000 2.010 81 C HN 0.625 nan 8.230 nan 0.000 0.486 82 G N -0.193 108.525 108.800 -0.137 0.000 2.440 82 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 82 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 82 G C 1.563 176.353 174.900 -0.183 0.000 1.154 82 G CA 0.781 45.798 45.100 -0.139 0.000 0.767 82 G HN 0.687 nan 8.290 nan 0.000 0.552 83 Q N -0.605 119.085 119.800 -0.184 0.000 2.050 83 Q HA -0.007 4.333 4.340 0.000 0.000 0.202 83 Q C 2.739 178.488 176.000 -0.419 0.000 0.980 83 Q CA 1.292 56.912 55.803 -0.304 0.000 0.840 83 Q CB -0.216 28.223 28.738 -0.499 0.000 0.898 83 Q HN 0.477 nan 8.270 nan 0.000 0.424 84 M N -0.199 119.263 119.600 -0.230 0.000 2.117 84 M HA -0.192 4.289 4.480 0.000 0.000 0.262 84 M C 2.379 178.346 176.300 -0.555 0.000 1.065 84 M CA 1.324 56.471 55.300 -0.256 0.000 1.114 84 M CB -0.275 32.177 32.600 -0.246 0.000 1.361 84 M HN 0.342 nan 8.290 nan 0.000 0.408 85 M N 0.321 119.444 119.600 -0.796 0.000 2.086 85 M HA -0.223 4.257 4.480 0.000 0.000 0.261 85 M C 2.061 178.223 176.300 -0.230 0.000 1.067 85 M CA 1.642 56.617 55.300 -0.543 0.000 1.116 85 M CB -0.135 32.249 32.600 -0.359 0.000 1.348 85 M HN 0.275 nan 8.290 nan 0.000 0.407 86 L N 0.880 121.973 121.223 -0.218 0.000 2.093 86 L HA 0.001 4.341 4.340 0.000 0.000 0.208 86 L C 2.438 179.253 176.870 -0.091 0.000 1.085 86 L CA 2.121 56.873 54.840 -0.147 0.000 0.755 86 L CB -1.079 40.882 42.059 -0.163 0.000 0.904 86 L HN 0.328 nan 8.230 nan 0.000 0.435 87 A N -0.761 121.949 122.820 -0.183 0.000 1.908 87 A HA -0.295 4.025 4.320 0.000 0.000 0.218 87 A C 2.278 179.841 177.584 -0.034 0.000 1.181 87 A CA 1.809 53.764 52.037 -0.136 0.000 0.627 87 A CB -0.800 17.994 19.000 -0.344 0.000 0.818 87 A HN 0.595 nan 8.150 nan 0.000 0.445 88 Q N 0.062 119.836 119.800 -0.043 0.000 2.096 88 Q HA -0.106 4.234 4.340 0.000 0.000 0.204 88 Q C 1.997 177.945 176.000 -0.087 0.000 0.982 88 Q CA 2.430 58.246 55.803 0.021 0.000 0.850 88 Q CB -0.654 28.160 28.738 0.128 0.000 0.901 88 Q HN 0.563 nan 8.270 nan 0.000 0.422 89 A N 0.115 122.821 122.820 -0.190 0.000 1.877 89 A HA -0.121 4.199 4.320 0.000 0.000 0.216 89 A C 2.146 179.346 177.584 -0.640 0.000 1.186 89 A CA 1.505 53.227 52.037 -0.525 0.000 0.620 89 A CB -0.780 17.997 19.000 -0.371 0.000 0.822 89 A HN 0.459 nan 8.150 nan 0.000 0.443 90 L N -0.362 120.696 121.223 -0.274 0.000 2.046 90 L HA -0.168 4.172 4.340 0.000 0.000 0.208 90 L C 2.468 179.309 176.870 -0.049 0.000 1.077 90 L CA 0.725 55.485 54.840 -0.133 0.000 0.747 90 L CB -0.573 41.532 42.059 0.076 0.000 0.896 90 L HN 0.309 nan 8.230 nan 0.000 0.432 91 I N -0.160 120.409 120.570 -0.003 0.000 2.127 91 I HA -0.332 3.838 4.170 0.000 0.000 0.241 91 I C 2.746 178.870 176.117 0.013 0.000 1.075 91 I CA 1.443 62.779 61.300 0.059 0.000 1.334 91 I CB -1.123 36.974 38.000 0.162 0.000 1.040 91 I HN 0.416 nan 8.210 nan 0.000 0.405 92 C N 0.432 119.695 119.300 -0.062 0.000 2.413 92 C HA -0.159 4.301 4.460 0.000 0.000 0.276 92 C C 3.018 177.995 174.990 -0.023 0.000 1.248 92 C CA 0.601 59.605 59.018 -0.023 0.000 1.742 92 C CB -1.052 26.657 27.740 -0.053 0.000 2.017 92 C HN 0.459 nan 8.230 nan 0.000 0.481 93 R N 0.188 120.529 120.500 -0.265 0.000 2.083 93 R HA -0.131 4.210 4.340 0.000 0.000 0.237 93 R C 2.060 178.243 176.300 -0.195 0.000 1.137 93 R CA 1.760 57.777 56.100 -0.139 0.000 0.951 93 R CB -0.596 29.489 30.300 -0.358 0.000 0.851 93 R HN 0.657 nan 8.270 nan 0.000 0.434 94 H N -0.772 118.253 119.070 -0.075 0.000 2.431 94 H HA 0.094 4.650 4.556 0.000 0.000 0.295 94 H C 1.848 177.142 175.328 -0.058 0.000 1.038 94 H CA 1.053 57.062 56.048 -0.065 0.000 1.360 94 H CB 0.444 30.155 29.762 -0.085 0.000 1.433 94 H HN 0.201 nan 8.280 nan 0.000 0.536 95 L N -1.070 120.166 121.223 0.021 0.000 2.717 95 L HA 0.323 4.663 4.340 0.000 0.000 0.239 95 L C 0.621 177.545 176.870 0.090 0.000 1.086 95 L CA 0.331 55.114 54.840 -0.094 0.000 0.897 95 L CB 1.047 42.788 42.059 -0.529 0.000 1.214 95 L HN 0.272 nan 8.230 nan 0.000 0.508 96 G N 0.801 109.683 108.800 0.138 0.000 2.629 96 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 96 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 96 G C -0.062 174.987 174.900 0.247 0.000 1.232 96 G CA -0.109 45.109 45.100 0.196 0.000 0.803 96 G HN 0.077 nan 8.290 nan 0.000 0.638 97 R N 0.171 120.807 120.500 0.226 0.000 2.120 97 R HA -0.000 4.340 4.340 0.000 0.000 0.234 97 R C 1.766 178.208 176.300 0.235 0.000 1.123 97 R CA 2.508 58.744 56.100 0.228 0.000 0.975 97 R CB -0.313 30.114 30.300 0.211 0.000 0.866 97 R HN 0.545 nan 8.270 nan 0.000 0.446 98 D N -1.231 119.303 120.400 0.223 0.000 2.355 98 D HA -0.070 4.570 4.640 0.000 0.000 0.218 98 D C -0.235 176.191 176.300 0.210 0.000 1.004 98 D CA 0.278 54.390 54.000 0.188 0.000 0.880 98 D CB -0.265 40.622 40.800 0.146 0.000 0.911 98 D HN 0.228 nan 8.370 nan 0.000 0.528 99 W N 1.711 123.076 121.300 0.109 0.000 2.216 99 W HA 0.247 4.907 4.660 0.000 0.000 0.326 99 W C 0.154 176.747 176.519 0.124 0.000 1.319 99 W CA -0.004 57.405 57.345 0.106 0.000 1.213 99 W CB 0.753 30.285 29.460 0.119 0.000 1.171 99 W HN -0.339 nan 8.180 nan 0.000 0.557 100 S N 6.008 121.183 115.700 -0.875 0.000 2.547 100 S HA 0.210 4.680 4.470 0.000 0.000 0.281 100 S C 0.190 173.980 174.600 -1.350 0.000 1.118 100 S CA -0.754 56.984 58.200 -0.769 0.000 0.947 100 S CB 0.099 63.117 63.200 -0.302 0.000 1.053 100 S HN 0.794 nan 8.310 nan 0.000 0.482 101 W N 4.099 124.579 121.300 -1.368 0.000 2.424 101 W HA 0.051 4.711 4.660 0.000 0.000 0.264 101 W C 0.884 177.025 176.519 -0.630 0.000 1.229 101 W CA 1.217 57.926 57.345 -1.060 0.000 1.208 101 W CB -0.029 28.970 29.460 -0.769 0.000 1.127 101 W HN 0.767 nan 8.180 nan 0.000 0.588 102 E N 0.603 120.153 120.200 -1.083 0.000 2.435 102 E HA -0.063 4.287 4.350 0.000 0.000 0.195 102 E C 1.626 177.860 176.600 -0.610 0.000 1.029 102 E CA 0.505 56.254 56.400 -1.085 0.000 0.865 102 E CB 0.011 29.063 29.700 -1.080 0.000 0.833 102 E HN 0.406 nan 8.360 nan 0.000 0.510 103 K N 0.747 120.837 120.400 -0.517 0.000 2.404 103 K HA 0.014 4.334 4.320 0.000 0.000 0.194 103 K C 0.562 177.018 176.600 -0.239 0.000 1.023 103 K CA 0.245 56.328 56.287 -0.339 0.000 1.094 103 K CB 0.424 32.742 32.500 -0.303 0.000 0.841 103 K HN 0.054 nan 8.250 nan 0.000 0.523 104 Q N -1.354 118.302 119.800 -0.240 0.000 2.511 104 Q HA 0.170 4.510 4.340 0.000 0.000 0.289 104 Q C -0.036 175.899 176.000 -0.108 0.000 1.021 104 Q CA -0.673 55.058 55.803 -0.119 0.000 0.785 104 Q CB 1.600 30.324 28.738 -0.023 0.000 1.472 104 Q HN -0.258 nan 8.270 nan 0.000 0.411 105 K N 0.606 120.974 120.400 -0.053 0.000 2.121 105 K HA 0.134 4.455 4.320 0.000 0.000 0.203 105 K C 0.503 177.114 176.600 0.019 0.000 1.041 105 K CA 1.900 58.167 56.287 -0.034 0.000 0.969 105 K CB -0.478 32.005 32.500 -0.027 0.000 0.799 105 K HN 0.820 nan 8.250 nan 0.000 0.456 106 E N 3.123 123.348 120.200 0.042 0.000 2.070 106 E HA 0.225 4.575 4.350 0.000 0.000 0.282 106 E C -0.304 176.371 176.600 0.126 0.000 1.104 106 E CA -0.485 55.961 56.400 0.077 0.000 0.876 106 E CB 0.019 29.758 29.700 0.066 0.000 1.055 106 E HN 0.389 nan 8.360 nan 0.000 0.401 107 Q N 2.751 122.653 119.800 0.170 0.000 2.373 107 Q HA 0.274 4.614 4.340 0.000 0.000 0.255 107 Q C -1.778 174.362 176.000 0.234 0.000 0.980 107 Q CA -1.660 54.304 55.803 0.268 0.000 0.882 107 Q CB 0.866 29.820 28.738 0.359 0.000 1.249 107 Q HN 0.591 nan 8.270 nan 0.000 0.438 108 P HA 0.000 nan 4.420 nan 0.000 0.269 108 P C 0.501 177.875 177.300 0.123 0.000 1.209 108 P CA -0.173 63.006 63.100 0.132 0.000 0.776 108 P CB 0.747 32.472 31.700 0.041 0.000 0.876 109 K N 2.419 122.864 120.400 0.074 0.000 2.283 109 K HA -0.164 4.156 4.320 0.000 0.000 0.202 109 K C 0.912 177.519 176.600 0.012 0.000 1.048 109 K CA 1.566 57.878 56.287 0.041 0.000 0.948 109 K CB -0.373 32.125 32.500 -0.003 0.000 0.742 109 K HN 0.271 nan 8.250 nan 0.000 0.458 110 E N 0.522 120.739 120.200 0.029 0.000 2.204 110 E HA -0.164 4.186 4.350 0.000 0.000 0.195 110 E C 1.718 178.368 176.600 0.083 0.000 0.990 110 E CA 1.069 57.505 56.400 0.060 0.000 0.821 110 E CB -0.477 29.253 29.700 0.051 0.000 0.750 110 E HN 0.458 nan 8.360 nan 0.000 0.477 111 Y N 1.607 121.871 120.300 -0.059 0.000 2.070 111 Y HA -0.254 4.296 4.550 0.000 0.000 0.279 111 Y C 2.095 178.044 175.900 0.083 0.000 1.134 111 Y CA 1.760 59.857 58.100 -0.004 0.000 1.113 111 Y CB -0.253 38.268 38.460 0.101 0.000 0.981 111 Y HN -0.054 nan 8.280 nan 0.000 0.487 112 Q N 0.389 120.111 119.800 -0.131 0.000 2.170 112 Q HA -0.224 4.116 4.340 0.000 0.000 0.203 112 Q C 2.476 178.371 176.000 -0.176 0.000 0.976 112 Q CA 1.800 57.466 55.803 -0.229 0.000 0.858 112 Q CB -0.428 28.276 28.738 -0.058 0.000 0.907 112 Q HN 0.544 nan 8.270 nan 0.000 0.433 113 R N 0.257 120.676 120.500 -0.135 0.000 2.075 113 R HA -0.074 4.266 4.340 0.000 0.000 0.232 113 R C 2.296 178.582 176.300 -0.023 0.000 1.126 113 R CA 0.850 56.835 56.100 -0.192 0.000 0.963 113 R CB -0.128 29.901 30.300 -0.452 0.000 0.858 113 R HN 0.180 nan 8.270 nan 0.000 0.435 114 I N 0.598 121.246 120.570 0.130 0.000 2.142 114 I HA -0.297 3.874 4.170 0.000 0.000 0.240 114 I C 2.271 178.530 176.117 0.236 0.000 1.078 114 I CA 0.760 62.225 61.300 0.276 0.000 1.343 114 I CB -0.338 37.829 38.000 0.279 0.000 1.046 114 I HN 0.225 nan 8.210 nan 0.000 0.405 115 L N 0.743 121.976 121.223 0.017 0.000 2.013 115 L HA -0.292 4.048 4.340 0.000 0.000 0.212 115 L C 2.394 179.265 176.870 0.002 0.000 1.073 115 L CA 1.971 56.786 54.840 -0.041 0.000 0.753 115 L CB -0.795 41.007 42.059 -0.428 0.000 0.890 115 L HN 0.287 nan 8.230 nan 0.000 0.432 116 Q N -1.970 117.782 119.800 -0.081 0.000 2.436 116 Q HA -0.147 4.193 4.340 0.000 0.000 0.209 116 Q C 2.239 178.175 176.000 -0.106 0.000 0.965 116 Q CA 1.088 56.834 55.803 -0.095 0.000 0.910 116 Q CB -0.273 28.396 28.738 -0.114 0.000 0.980 116 Q HN 0.603 nan 8.270 nan 0.000 0.491 117 C N -0.381 118.845 119.300 -0.124 0.000 2.432 117 C HA -0.082 4.378 4.460 0.000 0.000 0.282 117 C C 1.408 176.081 174.990 -0.527 0.000 1.388 117 C CA 0.539 59.350 59.018 -0.345 0.000 1.777 117 C CB -0.828 26.687 27.740 -0.377 0.000 1.882 117 C HN 0.418 nan 8.230 nan 0.000 0.520 118 F N -0.197 119.681 119.950 -0.121 0.000 2.661 118 F HA 0.351 4.878 4.527 0.000 0.000 0.306 118 F C 0.863 176.557 175.800 -0.176 0.000 1.094 118 F CA -0.254 57.581 58.000 -0.274 0.000 1.254 118 F CB -0.304 38.268 39.000 -0.714 0.000 1.040 118 F HN -0.029 nan 8.300 nan 0.000 0.562 119 L N 1.294 122.535 121.223 0.031 0.000 2.483 119 L HA 0.024 4.365 4.340 0.000 0.000 0.275 119 L C 0.422 177.345 176.870 0.088 0.000 1.220 119 L CA 0.070 54.986 54.840 0.127 0.000 0.833 119 L CB 0.343 42.467 42.059 0.110 0.000 1.102 119 L HN 0.095 nan 8.230 nan 0.000 0.490 120 D N 3.570 124.091 120.400 0.201 0.000 2.801 120 D HA 0.161 4.801 4.640 0.000 0.000 0.232 120 D C -0.012 176.062 176.300 -0.377 0.000 1.128 120 D CA 0.327 54.260 54.000 -0.112 0.000 1.003 120 D CB 0.031 40.714 40.800 -0.195 0.000 1.110 120 D HN 0.381 nan 8.370 nan 0.000 0.477 121 R N 0.350 120.624 120.500 -0.377 0.000 2.673 121 R HA 0.199 4.540 4.340 0.000 0.000 0.281 121 R C 1.091 177.055 176.300 -0.561 0.000 0.991 121 R CA -0.771 55.005 56.100 -0.541 0.000 0.896 121 R CB 2.273 32.464 30.300 -0.182 0.000 1.201 121 R HN -0.103 nan 8.270 nan 0.000 0.457 122 K N 1.330 121.342 120.400 -0.647 0.000 2.160 122 K HA -0.193 4.127 4.320 0.000 0.000 0.206 122 K C 0.752 177.214 176.600 -0.230 0.000 1.047 122 K CA 2.261 58.346 56.287 -0.338 0.000 0.930 122 K CB 0.140 32.506 32.500 -0.223 0.000 0.720 122 K HN 0.631 nan 8.250 nan 0.000 0.450 123 D N -0.476 119.798 120.400 -0.210 0.000 2.349 123 D HA -0.046 4.594 4.640 0.000 0.000 0.224 123 D C -0.167 176.024 176.300 -0.182 0.000 1.029 123 D CA -0.079 53.821 54.000 -0.167 0.000 0.879 123 D CB -0.634 40.090 40.800 -0.126 0.000 0.906 123 D HN 0.024 nan 8.370 nan 0.000 0.528 124 C N 0.488 119.664 119.300 -0.207 0.000 2.295 124 C HA 0.267 4.727 4.460 0.000 0.000 0.331 124 C C 2.031 176.839 174.990 -0.303 0.000 1.280 124 C CA -1.115 57.764 59.018 -0.232 0.000 1.746 124 C CB 0.272 27.896 27.740 -0.192 0.000 2.328 124 C HN 0.543 nan 8.230 nan 0.000 0.521 125 C N 2.532 121.584 119.300 -0.413 0.000 2.413 125 C HA -0.147 4.313 4.460 0.000 0.000 0.277 125 C C 1.455 176.061 174.990 -0.641 0.000 1.265 125 C CA 1.238 59.906 59.018 -0.583 0.000 1.752 125 C CB -1.031 26.230 27.740 -0.798 0.000 1.998 125 C HN 0.882 nan 8.230 nan 0.000 0.489 126 Y N 1.719 121.793 120.300 -0.377 0.000 2.720 126 Y HA 0.309 4.859 4.550 0.000 0.000 0.277 126 Y C 1.351 177.071 175.900 -0.300 0.000 1.144 126 Y CA -0.100 57.758 58.100 -0.405 0.000 1.221 126 Y CB -0.750 37.244 38.460 -0.777 0.000 1.163 126 Y HN 0.293 nan 8.280 nan 0.000 0.537 127 S N -0.766 114.848 115.700 -0.143 0.000 2.576 127 S HA -0.014 4.456 4.470 0.000 0.000 0.272 127 S C 1.511 176.078 174.600 -0.056 0.000 1.352 127 S CA -0.525 57.616 58.200 -0.099 0.000 1.021 127 S CB 0.916 64.043 63.200 -0.122 0.000 0.887 127 S HN 0.314 nan 8.310 nan 0.000 0.542 128 I N 1.500 122.014 120.570 -0.093 0.000 2.185 128 I HA -0.228 3.942 4.170 0.000 0.000 0.246 128 I C 2.095 178.153 176.117 -0.099 0.000 1.088 128 I CA 1.990 63.204 61.300 -0.143 0.000 1.347 128 I CB -0.763 37.040 38.000 -0.329 0.000 1.041 128 I HN 0.826 nan 8.210 nan 0.000 0.415 129 H N 0.027 118.960 119.070 -0.229 0.000 2.289 129 H HA -0.172 4.384 4.556 0.000 0.000 0.296 129 H C 2.241 177.514 175.328 -0.092 0.000 1.091 129 H CA 1.923 57.883 56.048 -0.147 0.000 1.274 129 H CB -0.398 29.253 29.762 -0.186 0.000 1.364 129 H HN 0.384 nan 8.280 nan 0.000 0.490 130 Q N -0.228 119.581 119.800 0.016 0.000 2.119 130 Q HA -0.071 4.270 4.340 0.000 0.000 0.201 130 Q C 2.437 178.429 176.000 -0.013 0.000 0.972 130 Q CA 1.032 56.804 55.803 -0.051 0.000 0.847 130 Q CB -0.141 28.521 28.738 -0.126 0.000 0.903 130 Q HN 0.553 nan 8.270 nan 0.000 0.433 131 M N -0.238 119.377 119.600 0.026 0.000 2.099 131 M HA -0.119 4.361 4.480 0.000 0.000 0.262 131 M C 2.308 178.692 176.300 0.140 0.000 1.067 131 M CA 1.541 56.889 55.300 0.080 0.000 1.124 131 M CB -0.420 32.226 32.600 0.077 0.000 1.353 131 M HN 0.141 nan 8.290 nan 0.000 0.410 132 A N -0.295 122.610 122.820 0.142 0.000 1.902 132 A HA -0.234 4.086 4.320 0.000 0.000 0.217 132 A C 1.989 179.634 177.584 0.100 0.000 1.181 132 A CA 1.850 54.001 52.037 0.190 0.000 0.623 132 A CB -0.734 18.391 19.000 0.209 0.000 0.818 132 A HN 0.440 nan 8.150 nan 0.000 0.443 133 Q N -1.470 118.353 119.800 0.038 0.000 2.084 133 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 133 Q C 1.973 177.962 176.000 -0.018 0.000 0.978 133 Q CA 2.029 57.829 55.803 -0.006 0.000 0.844 133 Q CB -0.347 28.372 28.738 -0.032 0.000 0.898 133 Q HN 0.560 nan 8.270 nan 0.000 0.426 134 M N -0.897 118.695 119.600 -0.014 0.000 2.229 134 M HA 0.042 4.522 4.480 0.000 0.000 0.264 134 M C 1.732 178.002 176.300 -0.051 0.000 1.063 134 M CA 1.770 57.051 55.300 -0.031 0.000 1.114 134 M CB -0.737 31.853 32.600 -0.018 0.000 1.387 134 M HN 0.261 nan 8.290 nan 0.000 0.420 135 G N -1.014 107.777 108.800 -0.016 0.000 2.450 135 G HA2 -0.153 3.807 3.960 0.000 0.000 0.220 135 G HA3 -0.153 3.807 3.960 0.000 0.000 0.220 135 G C 1.427 176.250 174.900 -0.128 0.000 1.130 135 G CA 1.120 46.137 45.100 -0.140 0.000 0.760 135 G HN 0.413 nan 8.290 nan 0.000 0.557 136 V N 1.491 121.375 119.914 -0.049 0.000 2.332 136 V HA -0.110 4.010 4.120 0.000 0.000 0.248 136 V C 3.074 179.126 176.094 -0.069 0.000 1.055 136 V CA 1.928 64.197 62.300 -0.051 0.000 1.038 136 V CB -1.032 30.768 31.823 -0.038 0.000 0.651 136 V HN 0.437 nan 8.190 nan 0.000 0.450 137 G N -0.475 108.281 108.800 -0.073 0.000 2.509 137 G HA2 -0.148 3.812 3.960 0.000 0.000 0.218 137 G HA3 -0.148 3.812 3.960 0.000 0.000 0.218 137 G C 1.250 176.094 174.900 -0.094 0.000 1.124 137 G CA 0.342 45.400 45.100 -0.069 0.000 0.776 137 G HN 0.521 nan 8.290 nan 0.000 0.547 138 E N 0.065 120.180 120.200 -0.143 0.000 2.474 138 E HA 0.180 4.530 4.350 0.000 0.000 0.195 138 E C 1.587 178.096 176.600 -0.152 0.000 1.039 138 E CA 0.427 56.720 56.400 -0.178 0.000 0.881 138 E CB 0.116 29.635 29.700 -0.302 0.000 0.970 138 E HN 0.385 nan 8.360 nan 0.000 0.486 139 G N 2.083 110.816 108.800 -0.111 0.000 2.142 139 G HA2 -0.211 3.749 3.960 0.000 0.000 0.225 139 G HA3 -0.211 3.749 3.960 0.000 0.000 0.225 139 G C -0.111 174.753 174.900 -0.060 0.000 1.015 139 G CA -0.137 44.920 45.100 -0.073 0.000 0.716 139 G HN 0.003 nan 8.290 nan 0.000 0.508 140 K N 0.873 121.230 120.400 -0.073 0.000 2.413 140 K HA 0.549 4.869 4.320 0.000 0.000 0.257 140 K C 0.219 176.833 176.600 0.025 0.000 0.946 140 K CA -0.608 55.681 56.287 0.004 0.000 0.823 140 K CB 1.781 34.303 32.500 0.038 0.000 1.109 140 K HN 0.134 nan 8.250 nan 0.000 0.427 141 S N 2.256 117.962 115.700 0.009 0.000 2.563 141 S HA 0.105 4.575 4.470 0.000 0.000 0.284 141 S C 0.906 175.461 174.600 -0.075 0.000 1.331 141 S CA -0.408 57.768 58.200 -0.040 0.000 1.047 141 S CB 0.158 63.320 63.200 -0.063 0.000 0.859 141 S HN 0.377 nan 8.310 nan 0.000 0.514 142 I N 2.569 123.067 120.570 -0.121 0.000 2.828 142 I HA 0.134 4.304 4.170 0.000 0.000 0.292 142 I C 1.450 177.264 176.117 -0.505 0.000 1.206 142 I CA 1.122 62.282 61.300 -0.234 0.000 1.420 142 I CB -0.232 37.665 38.000 -0.171 0.000 1.368 142 I HN 0.988 nan 8.210 nan 0.000 0.556 143 G N 4.048 112.247 108.800 -1.003 0.000 2.201 143 G HA2 -0.191 3.769 3.960 0.000 0.000 0.212 143 G HA3 -0.191 3.769 3.960 0.000 0.000 0.212 143 G C 0.128 174.574 174.900 -0.756 0.000 0.994 143 G CA -0.554 43.582 45.100 -1.606 0.000 0.644 143 G HN 0.589 nan 8.290 nan 0.000 0.508 144 E N -0.524 119.503 120.200 -0.288 0.000 2.313 144 E HA 0.373 4.723 4.350 0.000 0.000 0.276 144 E C -0.318 176.357 176.600 0.123 0.000 1.031 144 E CA -0.899 55.516 56.400 0.024 0.000 0.857 144 E CB 0.919 30.700 29.700 0.134 0.000 1.040 144 E HN 0.327 nan 8.360 nan 0.000 0.408 145 W N 5.010 126.332 121.300 0.037 0.000 2.238 145 W HA 0.250 4.910 4.660 0.000 0.000 0.321 145 W C -0.920 175.594 176.519 -0.009 0.000 1.293 145 W CA -0.245 57.072 57.345 -0.047 0.000 1.204 145 W CB 0.305 29.793 29.460 0.047 0.000 1.167 145 W HN 0.373 nan 8.180 nan 0.000 0.553 146 F N 3.726 123.377 119.950 -0.498 0.000 2.643 146 F HA 0.884 5.411 4.527 0.000 0.000 0.314 146 F C 0.284 175.415 175.800 -1.115 0.000 1.096 146 F CA -1.761 55.945 58.000 -0.490 0.000 0.953 146 F CB 0.141 39.023 39.000 -0.197 0.000 1.345 146 F HN 0.482 nan 8.300 nan 0.000 0.468 147 G N -0.190 108.440 108.800 -0.283 0.000 2.535 147 G HA2 0.496 4.456 3.960 0.000 0.000 0.282 147 G HA3 0.496 4.456 3.960 0.000 0.000 0.282 147 G C -2.317 172.545 174.900 -0.063 0.000 1.350 147 G CA -1.664 43.304 45.100 -0.220 0.000 1.039 147 G HN 0.464 nan 8.290 nan 0.000 0.509 148 P HA -0.115 nan 4.420 nan 0.000 0.216 148 P C 1.575 178.890 177.300 0.026 0.000 1.153 148 P CA 1.162 64.288 63.100 0.043 0.000 0.848 148 P CB 0.164 31.921 31.700 0.095 0.000 0.787 149 N N -1.207 117.505 118.700 0.020 0.000 2.120 149 N HA -0.122 4.619 4.740 0.000 0.000 0.188 149 N C 1.478 176.960 175.510 -0.047 0.000 1.024 149 N CA 1.906 54.949 53.050 -0.012 0.000 0.852 149 N CB -0.900 37.580 38.487 -0.012 0.000 1.003 149 N HN -0.021 nan 8.380 nan 0.000 0.424 150 T N -0.527 113.992 114.554 -0.059 0.000 2.737 150 T HA -0.093 4.257 4.350 0.000 0.000 0.265 150 T C 1.912 176.527 174.700 -0.141 0.000 1.038 150 T CA 1.183 63.172 62.100 -0.185 0.000 1.144 150 T CB -0.682 67.974 68.868 -0.352 0.000 0.866 150 T HN 0.100 nan 8.240 nan 0.000 0.434 151 V N 1.444 121.398 119.914 0.066 0.000 2.490 151 V HA -0.115 4.006 4.120 0.000 0.000 0.250 151 V C 2.628 178.735 176.094 0.021 0.000 1.061 151 V CA 1.750 64.129 62.300 0.131 0.000 1.064 151 V CB -0.984 30.914 31.823 0.125 0.000 0.670 151 V HN 0.525 nan 8.190 nan 0.000 0.461 152 A N -0.851 121.963 122.820 -0.010 0.000 1.877 152 A HA -0.236 4.084 4.320 0.000 0.000 0.216 152 A C 2.092 179.648 177.584 -0.046 0.000 1.186 152 A CA 1.755 53.774 52.037 -0.030 0.000 0.620 152 A CB -0.492 18.487 19.000 -0.035 0.000 0.822 152 A HN 0.594 nan 8.150 nan 0.000 0.443 153 Q N -0.247 119.512 119.800 -0.069 0.000 2.124 153 Q HA -0.099 4.242 4.340 0.000 0.000 0.202 153 Q C 2.322 178.287 176.000 -0.058 0.000 0.977 153 Q CA 1.484 57.239 55.803 -0.080 0.000 0.850 153 Q CB -0.982 27.690 28.738 -0.110 0.000 0.901 153 Q HN 0.473 nan 8.270 nan 0.000 0.429 154 V N 1.486 121.364 119.914 -0.059 0.000 2.287 154 V HA -0.258 3.863 4.120 0.000 0.000 0.248 154 V C 2.465 178.577 176.094 0.029 0.000 1.053 154 V CA 1.505 63.795 62.300 -0.017 0.000 1.027 154 V CB -0.645 31.189 31.823 0.018 0.000 0.646 154 V HN 0.262 nan 8.190 nan 0.000 0.447 155 L N -0.240 120.994 121.223 0.018 0.000 2.046 155 L HA -0.233 4.107 4.340 0.000 0.000 0.208 155 L C 2.599 179.492 176.870 0.038 0.000 1.077 155 L CA 2.100 56.951 54.840 0.018 0.000 0.747 155 L CB -0.682 41.358 42.059 -0.032 0.000 0.896 155 L HN 0.331 nan 8.230 nan 0.000 0.432 156 K N 0.317 120.722 120.400 0.009 0.000 2.063 156 K HA -0.193 4.127 4.320 0.000 0.000 0.208 156 K C 2.160 178.782 176.600 0.036 0.000 1.048 156 K CA 1.262 57.552 56.287 0.005 0.000 0.928 156 K CB 0.143 32.622 32.500 -0.035 0.000 0.713 156 K HN 0.187 nan 8.250 nan 0.000 0.442 157 K N 0.665 121.095 120.400 0.050 0.000 2.031 157 K HA -0.087 4.234 4.320 0.000 0.000 0.205 157 K C 2.252 178.980 176.600 0.214 0.000 1.049 157 K CA 0.979 57.325 56.287 0.099 0.000 0.939 157 K CB -0.279 32.270 32.500 0.081 0.000 0.717 157 K HN 0.230 nan 8.250 nan 0.000 0.438 158 L N 0.989 122.335 121.223 0.204 0.000 2.131 158 L HA -0.152 4.189 4.340 0.000 0.000 0.210 158 L C 2.579 179.650 176.870 0.336 0.000 1.092 158 L CA 0.980 55.982 54.840 0.270 0.000 0.759 158 L CB -0.658 41.556 42.059 0.259 0.000 0.903 158 L HN 0.143 nan 8.230 nan 0.000 0.435 159 A N 0.181 123.178 122.820 0.294 0.000 2.024 159 A HA -0.162 4.158 4.320 0.000 0.000 0.220 159 A C 2.210 179.862 177.584 0.114 0.000 1.164 159 A CA 1.224 53.402 52.037 0.236 0.000 0.643 159 A CB -0.648 18.431 19.000 0.131 0.000 0.806 159 A HN 0.408 nan 8.150 nan 0.000 0.451 160 L N -2.288 118.972 121.223 0.061 0.000 2.261 160 L HA -0.158 4.182 4.340 0.000 0.000 0.216 160 L C 1.776 178.485 176.870 -0.268 0.000 1.114 160 L CA 1.082 55.840 54.840 -0.137 0.000 0.777 160 L CB -0.443 41.462 42.059 -0.256 0.000 0.910 160 L HN 0.425 nan 8.230 nan 0.000 0.440 161 F N -1.383 118.541 119.950 -0.042 0.000 2.727 161 F HA 0.082 4.609 4.527 0.000 0.000 0.302 161 F C 0.889 176.635 175.800 -0.090 0.000 1.097 161 F CA -0.261 57.694 58.000 -0.076 0.000 1.330 161 F CB 0.194 39.130 39.000 -0.108 0.000 1.084 161 F HN -0.076 nan 8.300 nan 0.000 0.578 162 D N 0.680 121.121 120.400 0.069 0.000 2.467 162 D HA 0.057 4.697 4.640 0.000 0.000 0.220 162 D C 1.027 177.374 176.300 0.079 0.000 1.103 162 D CA 0.187 54.218 54.000 0.053 0.000 0.886 162 D CB 0.874 41.729 40.800 0.091 0.000 1.025 162 D HN 0.050 nan 8.370 nan 0.000 0.514 163 E N 2.922 123.171 120.200 0.081 0.000 2.285 163 E HA -0.023 4.327 4.350 0.000 0.000 0.194 163 E C 1.284 177.983 176.600 0.165 0.000 0.997 163 E CA 0.454 56.902 56.400 0.080 0.000 0.845 163 E CB -0.087 29.642 29.700 0.049 0.000 0.782 163 E HN 0.607 nan 8.360 nan 0.000 0.491 164 W N 1.502 122.808 121.300 0.010 0.000 2.332 164 W HA -0.140 4.520 4.660 0.000 0.000 0.321 164 W C 1.545 178.124 176.519 0.099 0.000 1.219 164 W CA 1.908 59.276 57.345 0.040 0.000 1.277 164 W CB -0.674 28.796 29.460 0.017 0.000 1.161 164 W HN 0.074 nan 8.180 nan 0.000 0.476 165 N N -0.340 118.347 118.700 -0.021 0.000 2.333 165 N HA -0.111 4.629 4.740 0.000 0.000 0.178 165 N C 0.703 176.168 175.510 -0.075 0.000 1.018 165 N CA 1.591 54.533 53.050 -0.181 0.000 0.882 165 N CB -0.502 37.922 38.487 -0.105 0.000 0.984 165 N HN -0.015 nan 8.380 nan 0.000 0.434 166 S N 0.454 116.150 115.700 -0.006 0.000 3.550 166 S HA -0.153 4.318 4.470 0.000 0.000 0.372 166 S C 0.044 174.622 174.600 -0.037 0.000 0.966 166 S CA 0.032 58.221 58.200 -0.019 0.000 1.229 166 S CB -1.517 61.669 63.200 -0.024 0.000 0.917 166 S HN 0.226 nan 8.310 nan 0.000 0.496 167 L N 1.250 122.465 121.223 -0.014 0.000 2.417 167 L HA 0.535 4.875 4.340 0.000 0.000 0.268 167 L C 0.795 177.634 176.870 -0.050 0.000 1.158 167 L CA -0.138 54.694 54.840 -0.013 0.000 0.819 167 L CB 0.928 43.003 42.059 0.027 0.000 1.112 167 L HN 0.482 nan 8.230 nan 0.000 0.458 168 A N 3.591 126.356 122.820 -0.093 0.000 2.301 168 A HA 0.601 4.921 4.320 0.000 0.000 0.298 168 A C -0.525 177.023 177.584 -0.061 0.000 1.185 168 A CA -0.404 51.559 52.037 -0.124 0.000 0.830 168 A CB 0.841 19.692 19.000 -0.248 0.000 1.112 168 A HN 0.423 nan 8.150 nan 0.000 0.508 169 V N 3.150 123.042 119.914 -0.037 0.000 2.407 169 V HA 0.281 4.401 4.120 0.000 0.000 0.291 169 V C -1.037 175.066 176.094 0.015 0.000 1.018 169 V CA -0.386 61.911 62.300 -0.006 0.000 0.842 169 V CB 1.010 32.827 31.823 -0.011 0.000 0.996 169 V HN 0.797 nan 8.190 nan 0.000 0.426 170 Y N 4.948 125.191 120.300 -0.096 0.000 2.328 170 Y HA 0.688 5.238 4.550 0.000 0.000 0.337 170 Y C -0.487 175.378 175.900 -0.059 0.000 0.966 170 Y CA -0.660 57.386 58.100 -0.090 0.000 1.136 170 Y CB 1.745 40.130 38.460 -0.125 0.000 1.170 170 Y HN 0.412 nan 8.280 nan 0.000 0.470 171 V N 6.715 126.334 119.914 -0.492 0.000 2.334 171 V HA 0.274 4.394 4.120 0.000 0.000 0.281 171 V C -0.122 175.624 176.094 -0.580 0.000 1.016 171 V CA -0.777 61.306 62.300 -0.362 0.000 0.832 171 V CB 1.011 32.708 31.823 -0.211 0.000 0.999 171 V HN 0.902 nan 8.190 nan 0.000 0.439 172 S N 6.346 121.845 115.700 -0.335 0.000 2.579 172 S HA 0.574 5.044 4.470 0.000 0.000 0.275 172 S C -0.314 174.217 174.600 -0.115 0.000 1.345 172 S CA -0.377 57.722 58.200 -0.168 0.000 1.031 172 S CB 0.666 63.952 63.200 0.143 0.000 0.892 172 S HN 0.593 nan 8.310 nan 0.000 0.529 173 M N 1.237 120.801 119.600 -0.061 0.000 2.644 173 M HA 0.345 4.825 4.480 0.000 0.000 0.316 173 M C -0.359 175.953 176.300 0.020 0.000 1.200 173 M CA -0.526 54.756 55.300 -0.030 0.000 0.944 173 M CB 1.153 33.728 32.600 -0.042 0.000 1.691 173 M HN 0.740 nan 8.290 nan 0.000 0.471 174 D N 2.188 122.602 120.400 0.023 0.000 2.702 174 D HA -0.192 4.448 4.640 0.000 0.000 0.233 174 D C -0.367 175.978 176.300 0.075 0.000 1.164 174 D CA 0.873 54.900 54.000 0.044 0.000 0.638 174 D CB -1.385 39.438 40.800 0.038 0.000 1.041 174 D HN 0.837 nan 8.370 nan 0.000 0.422 175 N N -2.135 116.617 118.700 0.087 0.000 2.708 175 N HA -0.199 4.541 4.740 0.000 0.000 0.251 175 N C -0.516 175.122 175.510 0.213 0.000 1.123 175 N CA 1.622 54.757 53.050 0.142 0.000 0.739 175 N CB -1.677 36.892 38.487 0.135 0.000 1.113 175 N HN 0.379 nan 8.380 nan 0.000 0.561 176 T N 0.308 114.973 114.554 0.185 0.000 2.840 176 T HA 0.515 4.865 4.350 0.000 0.000 0.287 176 T C 0.161 175.031 174.700 0.283 0.000 0.991 176 T CA -0.520 61.710 62.100 0.217 0.000 0.964 176 T CB 2.683 71.627 68.868 0.126 0.000 0.954 176 T HN -0.092 nan 8.240 nan 0.000 0.438 177 V N 3.953 124.082 119.914 0.358 0.000 2.394 177 V HA 0.438 4.558 4.120 0.000 0.000 0.282 177 V C -0.072 176.186 176.094 0.273 0.000 1.031 177 V CA -0.720 61.816 62.300 0.394 0.000 0.881 177 V CB 1.592 33.713 31.823 0.497 0.000 0.982 177 V HN 0.715 nan 8.190 nan 0.000 0.451 178 V N 6.161 126.200 119.914 0.209 0.000 2.347 178 V HA 0.303 4.423 4.120 0.000 0.000 0.280 178 V C 1.082 177.242 176.094 0.110 0.000 1.021 178 V CA -0.393 62.002 62.300 0.159 0.000 0.847 178 V CB 1.295 33.232 31.823 0.190 0.000 0.990 178 V HN 0.670 nan 8.190 nan 0.000 0.444 179 I N 3.941 124.623 120.570 0.187 0.000 2.163 179 I HA -0.205 3.965 4.170 0.000 0.000 0.243 179 I C 2.551 178.778 176.117 0.182 0.000 1.085 179 I CA 1.891 63.361 61.300 0.283 0.000 1.347 179 I CB -0.794 37.359 38.000 0.256 0.000 1.044 179 I HN 0.905 nan 8.210 nan 0.000 0.408 180 E N 0.622 120.904 120.200 0.137 0.000 2.150 180 E HA -0.227 4.123 4.350 0.000 0.000 0.193 180 E C 1.416 178.052 176.600 0.059 0.000 0.985 180 E CA 1.362 57.823 56.400 0.103 0.000 0.814 180 E CB -0.291 29.468 29.700 0.098 0.000 0.752 180 E HN 0.383 nan 8.360 nan 0.000 0.466 181 D N 1.206 121.650 120.400 0.074 0.000 2.117 181 D HA -0.081 4.559 4.640 0.000 0.000 0.198 181 D C 2.090 178.358 176.300 -0.053 0.000 0.982 181 D CA 0.913 54.955 54.000 0.069 0.000 0.828 181 D CB -0.161 40.776 40.800 0.228 0.000 0.967 181 D HN 0.286 nan 8.370 nan 0.000 0.464 182 I N 0.929 121.372 120.570 -0.212 0.000 2.179 182 I HA -0.253 3.917 4.170 0.000 0.000 0.242 182 I C 2.287 178.169 176.117 -0.392 0.000 1.088 182 I CA 1.150 62.180 61.300 -0.450 0.000 1.357 182 I CB -0.053 37.465 38.000 -0.803 0.000 1.051 182 I HN -0.048 nan 8.210 nan 0.000 0.409 183 K N 0.713 120.999 120.400 -0.189 0.000 2.097 183 K HA -0.170 4.150 4.320 0.000 0.000 0.206 183 K C 2.069 178.586 176.600 -0.138 0.000 1.049 183 K CA 1.141 57.379 56.287 -0.082 0.000 0.933 183 K CB -0.161 32.431 32.500 0.153 0.000 0.717 183 K HN 0.335 nan 8.250 nan 0.000 0.442 184 K N 0.657 120.999 120.400 -0.096 0.000 2.147 184 K HA -0.086 4.235 4.320 0.000 0.000 0.205 184 K C 2.127 178.635 176.600 -0.153 0.000 1.049 184 K CA 1.092 57.324 56.287 -0.092 0.000 0.936 184 K CB -0.071 32.399 32.500 -0.050 0.000 0.722 184 K HN 0.156 nan 8.250 nan 0.000 0.446 185 M N 0.039 119.519 119.600 -0.200 0.000 2.254 185 M HA -0.139 4.341 4.480 0.000 0.000 0.265 185 M C 1.630 177.715 176.300 -0.358 0.000 1.066 185 M CA 1.408 56.574 55.300 -0.224 0.000 1.123 185 M CB 0.129 32.625 32.600 -0.173 0.000 1.388 185 M HN 0.180 nan 8.290 nan 0.000 0.425 186 C N -0.260 118.687 119.300 -0.589 0.000 2.611 186 C HA 0.222 4.683 4.460 0.000 0.000 0.282 186 C C 0.991 175.557 174.990 -0.707 0.000 1.321 186 C CA -0.401 58.048 59.018 -0.948 0.000 1.747 186 C CB -0.712 25.803 27.740 -2.043 0.000 2.124 186 C HN 0.354 nan 8.230 nan 0.000 0.531 187 R N 1.238 121.489 120.500 -0.415 0.000 2.316 187 R HA 0.392 4.732 4.340 0.000 0.000 0.314 187 R C -0.521 175.713 176.300 -0.110 0.000 1.069 187 R CA 0.194 56.216 56.100 -0.129 0.000 0.959 187 R CB 0.785 31.087 30.300 0.004 0.000 0.987 187 R HN 0.210 nan 8.270 nan 0.000 0.446 188 V N 5.856 125.729 119.914 -0.067 0.000 2.459 188 V HA 0.333 4.453 4.120 0.000 0.000 0.295 188 V C -0.001 176.080 176.094 -0.022 0.000 1.029 188 V CA -0.915 61.350 62.300 -0.058 0.000 0.874 188 V CB 1.250 33.031 31.823 -0.070 0.000 0.985 188 V HN 0.647 nan 8.190 nan 0.000 0.438 189 L N 7.714 128.923 121.223 -0.024 0.000 2.543 189 L HA 0.188 4.528 4.340 0.000 0.000 0.285 189 L C -1.875 174.992 176.870 -0.005 0.000 1.236 189 L CA -1.034 53.801 54.840 -0.009 0.000 0.871 189 L CB -0.095 41.955 42.059 -0.014 0.000 1.121 189 L HN 0.535 nan 8.230 nan 0.000 0.501 190 P HA -0.063 nan 4.420 nan 0.000 0.265 190 P C 0.442 177.727 177.300 -0.025 0.000 1.187 190 P CA -0.313 62.789 63.100 0.005 0.000 0.766 190 P CB 0.486 32.213 31.700 0.044 0.000 0.820 191 L N 0.913 122.099 121.223 -0.062 0.000 2.217 191 L HA 0.023 4.363 4.340 0.000 0.000 0.211 191 L C 1.127 177.939 176.870 -0.096 0.000 1.107 191 L CA 1.630 56.423 54.840 -0.078 0.000 0.783 191 L CB -1.165 40.837 42.059 -0.095 0.000 0.919 191 L HN 0.336 nan 8.230 nan 0.000 0.442 192 S N -1.633 113.979 115.700 -0.146 0.000 2.536 192 S HA 0.772 5.242 4.470 0.000 0.000 0.287 192 S C -0.016 174.626 174.600 0.070 0.000 1.101 192 S CA -0.482 57.627 58.200 -0.152 0.000 0.950 192 S CB 1.576 64.482 63.200 -0.489 0.000 1.056 192 S HN 0.240 nan 8.310 nan 0.000 0.481 217 C N 0.194 119.573 119.300 0.131 0.000 2.707 217 C HA 0.631 5.091 4.460 0.000 0.000 0.313 217 C C 0.541 175.570 174.990 0.064 0.000 1.209 217 C CA -0.943 58.132 59.018 0.094 0.000 1.635 217 C CB 1.625 29.417 27.740 0.088 0.000 2.206 217 C HN 0.229 nan 8.230 nan 0.000 0.485 218 S N 1.865 117.604 115.700 0.064 0.000 2.481 218 S HA 0.423 4.893 4.470 0.000 0.000 0.282 218 S C 0.453 175.101 174.600 0.079 0.000 1.243 218 S CA -0.240 57.996 58.200 0.061 0.000 1.078 218 S CB 0.192 63.432 63.200 0.067 0.000 0.916 218 S HN 0.915 nan 8.310 nan 0.000 0.495 219 A N 4.298 127.157 122.820 0.064 0.000 2.272 219 A HA 0.515 4.835 4.320 0.000 0.000 0.275 219 A C -0.437 177.235 177.584 0.147 0.000 1.096 219 A CA -0.573 51.518 52.037 0.090 0.000 0.822 219 A CB 0.483 19.511 19.000 0.047 0.000 1.088 219 A HN 0.893 nan 8.150 nan 0.000 0.495 220 W N 1.723 123.002 121.300 -0.035 0.000 2.475 220 W HA 0.394 5.054 4.660 0.000 0.000 0.320 220 W C -1.081 175.399 176.519 -0.065 0.000 1.022 220 W CA -0.743 56.570 57.345 -0.054 0.000 1.240 220 W CB 1.056 30.484 29.460 -0.054 0.000 1.328 220 W HN 0.685 nan 8.180 nan 0.000 0.439 221 K N 6.921 127.107 120.400 -0.357 0.000 2.416 221 K HA 0.137 4.457 4.320 0.000 0.000 0.283 221 K C -2.128 174.319 176.600 -0.254 0.000 1.037 221 K CA -1.249 54.879 56.287 -0.265 0.000 0.995 221 K CB 0.306 32.623 32.500 -0.305 0.000 0.938 221 K HN 0.102 nan 8.250 nan 0.000 0.475 222 P HA -0.098 nan 4.420 nan 0.000 0.264 222 P C -1.006 176.302 177.300 0.014 0.000 1.183 222 P CA -0.121 63.025 63.100 0.077 0.000 0.763 222 P CB 0.414 32.221 31.700 0.178 0.000 0.807 223 L N 4.880 126.088 121.223 -0.024 0.000 2.313 223 L HA 0.499 4.839 4.340 0.000 0.000 0.283 223 L C -1.204 175.721 176.870 0.092 0.000 1.013 223 L CA -0.836 53.979 54.840 -0.042 0.000 0.816 223 L CB 1.237 43.230 42.059 -0.111 0.000 1.236 223 L HN 0.116 nan 8.230 nan 0.000 0.419 224 L N 6.337 127.632 121.223 0.119 0.000 2.255 224 L HA 0.486 4.826 4.340 0.000 0.000 0.289 224 L C -1.279 175.630 176.870 0.066 0.000 1.046 224 L CA 0.121 55.044 54.840 0.138 0.000 0.816 224 L CB 0.836 42.949 42.059 0.091 0.000 1.197 224 L HN 0.712 nan 8.230 nan 0.000 0.427 225 L N 6.793 128.051 121.223 0.059 0.000 2.280 225 L HA 0.572 4.912 4.340 0.000 0.000 0.287 225 L C -0.992 175.932 176.870 0.089 0.000 1.023 225 L CA -0.341 54.530 54.840 0.052 0.000 0.819 225 L CB 0.928 42.911 42.059 -0.126 0.000 1.212 225 L HN 0.643 nan 8.230 nan 0.000 0.420 226 I N 5.335 125.957 120.570 0.088 0.000 2.433 226 I HA 0.351 4.521 4.170 0.000 0.000 0.292 226 I C -0.657 175.483 176.117 0.038 0.000 1.001 226 I CA -0.792 60.530 61.300 0.036 0.000 1.119 226 I CB 2.095 40.095 38.000 -0.001 0.000 1.289 226 I HN 0.202 nan 8.210 nan 0.000 0.438 227 V N 7.196 127.118 119.914 0.013 0.000 2.289 227 V HA 0.288 4.409 4.120 0.000 0.000 0.272 227 V C -2.440 173.648 176.094 -0.010 0.000 1.026 227 V CA -1.742 60.544 62.300 -0.023 0.000 0.807 227 V CB 0.894 32.618 31.823 -0.164 0.000 1.044 227 V HN 0.546 nan 8.190 nan 0.000 0.443 228 P HA 0.384 nan 4.420 nan 0.000 0.271 228 P C -0.725 176.592 177.300 0.028 0.000 1.220 228 P CA 0.225 63.339 63.100 0.024 0.000 0.768 228 P CB 0.720 32.427 31.700 0.012 0.000 0.848 229 L N 2.551 123.796 121.223 0.037 0.000 2.424 229 L HA 0.644 4.984 4.340 0.000 0.000 0.258 229 L C 0.027 176.900 176.870 0.004 0.000 0.995 229 L CA -1.020 53.830 54.840 0.018 0.000 0.821 229 L CB 2.632 44.700 42.059 0.014 0.000 1.383 229 L HN 0.132 nan 8.230 nan 0.000 0.410 230 R N 1.645 122.134 120.500 -0.018 0.000 2.371 230 R HA 0.489 4.829 4.340 0.000 0.000 0.312 230 R C -0.632 175.633 176.300 -0.059 0.000 0.980 230 R CA -0.211 55.881 56.100 -0.013 0.000 0.867 230 R CB 0.602 30.914 30.300 0.020 0.000 1.163 230 R HN 0.675 nan 8.270 nan 0.000 0.492 231 L N 3.024 124.197 121.223 -0.083 0.000 2.685 231 L HA 0.521 4.861 4.340 0.000 0.000 0.233 231 L C 0.716 177.653 176.870 0.111 0.000 1.173 231 L CA 0.174 54.943 54.840 -0.119 0.000 0.961 231 L CB 0.167 42.117 42.059 -0.181 0.000 1.217 231 L HN 0.864 nan 8.230 nan 0.000 0.478 232 G N -0.944 107.905 108.800 0.082 0.000 2.320 232 G HA2 0.190 4.151 3.960 0.000 0.000 0.297 232 G HA3 0.190 4.151 3.960 0.000 0.000 0.297 232 G C -0.187 174.748 174.900 0.058 0.000 1.344 232 G CA -0.743 44.414 45.100 0.094 0.000 0.851 232 G HN -0.122 nan 8.290 nan 0.000 0.567 233 I N -0.526 120.074 120.570 0.050 0.000 2.385 233 I HA 0.098 4.269 4.170 0.000 0.000 0.244 233 I C 2.132 178.268 176.117 0.032 0.000 1.089 233 I CA 0.884 62.208 61.300 0.040 0.000 1.410 233 I CB 0.172 38.194 38.000 0.036 0.000 1.117 233 I HN 0.421 nan 8.210 nan 0.000 0.429 234 N N -0.983 117.733 118.700 0.027 0.000 2.397 234 N HA 0.081 4.821 4.740 0.000 0.000 0.190 234 N C -0.320 175.199 175.510 0.016 0.000 1.099 234 N CA 0.059 53.121 53.050 0.021 0.000 0.876 234 N CB 0.601 39.098 38.487 0.017 0.000 1.143 234 N HN 0.345 nan 8.380 nan 0.000 0.468 235 Q N -0.441 119.368 119.800 0.015 0.000 2.553 235 Q HA 0.385 4.725 4.340 0.000 0.000 0.293 235 Q C -0.939 175.065 176.000 0.006 0.000 1.038 235 Q CA -0.748 55.057 55.803 0.005 0.000 0.777 235 Q CB 1.508 30.247 28.738 0.003 0.000 1.487 235 Q HN -0.080 nan 8.270 nan 0.000 0.426 236 I N 2.433 122.991 120.570 -0.019 0.000 2.662 236 I HA -0.034 4.136 4.170 0.000 0.000 0.285 236 I C 0.470 176.608 176.117 0.034 0.000 1.161 236 I CA -0.162 61.132 61.300 -0.010 0.000 1.415 236 I CB -0.020 37.919 38.000 -0.103 0.000 1.385 236 I HN 0.586 nan 8.210 nan 0.000 0.552 237 N N 9.701 128.466 118.700 0.107 0.000 2.440 237 N HA 0.012 4.752 4.740 0.000 0.000 0.265 237 N C -1.640 173.856 175.510 -0.024 0.000 1.239 237 N CA -1.279 51.793 53.050 0.037 0.000 0.909 237 N CB 1.200 39.699 38.487 0.020 0.000 1.066 237 N HN 0.282 nan 8.380 nan 0.000 0.474 238 P HA -0.182 nan 4.420 nan 0.000 0.218 238 P C 1.398 178.641 177.300 -0.095 0.000 1.146 238 P CA 0.948 64.018 63.100 -0.051 0.000 0.813 238 P CB 0.107 31.781 31.700 -0.044 0.000 0.778 239 V N -4.472 115.315 119.914 -0.212 0.000 2.720 239 V HA -0.225 3.895 4.120 0.000 0.000 0.256 239 V C 1.556 177.476 176.094 -0.290 0.000 1.082 239 V CA 1.657 63.776 62.300 -0.303 0.000 1.101 239 V CB -1.911 29.649 31.823 -0.439 0.000 0.693 239 V HN 0.061 nan 8.190 nan 0.000 0.479 240 Y N -0.412 119.890 120.300 0.003 0.000 2.482 240 Y HA 0.346 4.896 4.550 0.000 0.000 0.270 240 Y C 2.404 178.337 175.900 0.056 0.000 1.152 240 Y CA 0.182 58.299 58.100 0.029 0.000 1.292 240 Y CB -0.482 37.992 38.460 0.023 0.000 1.070 240 Y HN 0.070 nan 8.280 nan 0.000 0.528 241 V N 0.285 120.279 119.914 0.133 0.000 2.255 241 V HA -0.317 3.803 4.120 0.000 0.000 0.247 241 V C 1.864 178.016 176.094 0.097 0.000 1.051 241 V CA 2.323 64.687 62.300 0.107 0.000 1.018 241 V CB -0.386 31.459 31.823 0.037 0.000 0.641 241 V HN 0.306 nan 8.190 nan 0.000 0.445 242 D N 0.159 120.588 120.400 0.048 0.000 2.123 242 D HA -0.132 4.508 4.640 0.000 0.000 0.196 242 D C 2.190 178.506 176.300 0.025 0.000 0.992 242 D CA 1.704 55.708 54.000 0.007 0.000 0.833 242 D CB -0.384 40.416 40.800 0.001 0.000 0.954 242 D HN 0.455 nan 8.370 nan 0.000 0.455 243 A N 0.167 123.043 122.820 0.093 0.000 1.898 243 A HA -0.147 4.173 4.320 0.000 0.000 0.216 243 A C 2.094 179.784 177.584 0.176 0.000 1.181 243 A CA 0.814 52.917 52.037 0.110 0.000 0.620 243 A CB -0.924 18.163 19.000 0.144 0.000 0.819 243 A HN 0.207 nan 8.150 nan 0.000 0.442 244 F N 0.934 120.932 119.950 0.080 0.000 2.095 244 F HA -0.171 4.356 4.527 0.000 0.000 0.298 244 F C 2.165 178.038 175.800 0.121 0.000 1.104 244 F CA 2.128 60.192 58.000 0.108 0.000 1.232 244 F CB -0.235 38.829 39.000 0.106 0.000 0.987 244 F HN 0.145 nan 8.300 nan 0.000 0.475 245 K N -0.168 120.221 120.400 -0.019 0.000 2.063 245 K HA -0.193 4.128 4.320 0.000 0.000 0.208 245 K C 1.935 178.445 176.600 -0.150 0.000 1.048 245 K CA 1.573 57.621 56.287 -0.399 0.000 0.928 245 K CB -0.315 31.654 32.500 -0.884 0.000 0.713 245 K HN 0.196 nan 8.250 nan 0.000 0.442 246 E N 0.592 120.735 120.200 -0.095 0.000 2.171 246 E HA -0.211 4.139 4.350 0.000 0.000 0.197 246 E C 2.150 178.737 176.600 -0.022 0.000 0.997 246 E CA 0.999 57.355 56.400 -0.073 0.000 0.810 246 E CB -0.550 29.116 29.700 -0.056 0.000 0.738 246 E HN 0.352 nan 8.360 nan 0.000 0.467 247 C N 0.073 119.377 119.300 0.006 0.000 2.413 247 C HA -0.131 4.329 4.460 0.000 0.000 0.276 247 C C 2.415 177.390 174.990 -0.025 0.000 1.248 247 C CA 0.395 59.449 59.018 0.060 0.000 1.742 247 C CB -1.410 26.277 27.740 -0.089 0.000 2.017 247 C HN 0.305 nan 8.230 nan 0.000 0.481 248 F N 1.265 121.218 119.950 0.007 0.000 2.604 248 F HA -0.031 4.496 4.527 0.000 0.000 0.298 248 F C 2.220 178.069 175.800 0.082 0.000 1.131 248 F CA 1.072 59.126 58.000 0.091 0.000 1.457 248 F CB -0.470 38.656 39.000 0.210 0.000 1.095 248 F HN 0.267 nan 8.300 nan 0.000 0.574 249 K N -0.327 120.066 120.400 -0.013 0.000 2.361 249 K HA 0.129 4.449 4.320 0.000 0.000 0.196 249 K C 0.548 177.079 176.600 -0.116 0.000 1.039 249 K CA 0.241 56.230 56.287 -0.497 0.000 1.001 249 K CB 0.079 31.979 32.500 -1.001 0.000 0.795 249 K HN 0.233 nan 8.250 nan 0.000 0.495 250 M N 1.690 121.335 119.600 0.075 0.000 2.217 250 M HA 0.073 4.553 4.480 0.000 0.000 0.354 250 M C -1.812 174.644 176.300 0.260 0.000 1.225 250 M CA -1.748 53.656 55.300 0.174 0.000 1.137 250 M CB 0.480 33.240 32.600 0.266 0.000 1.576 250 M HN -0.221 nan 8.290 nan 0.000 0.461 251 P HA -0.133 nan 4.420 nan 0.000 0.222 251 P C 0.495 177.965 177.300 0.284 0.000 1.147 251 P CA 1.202 64.450 63.100 0.247 0.000 0.790 251 P CB 0.147 31.963 31.700 0.193 0.000 0.780 252 Q N -1.084 118.916 119.800 0.335 0.000 2.451 252 Q HA 0.077 4.417 4.340 0.000 0.000 0.206 252 Q C 0.803 177.076 176.000 0.454 0.000 0.947 252 Q CA 0.177 56.205 55.803 0.375 0.000 0.937 252 Q CB -0.491 28.450 28.738 0.338 0.000 1.025 252 Q HN 0.052 nan 8.270 nan 0.000 0.511 253 S N 0.317 116.270 115.700 0.421 0.000 2.516 253 S HA 0.110 4.581 4.470 0.000 0.000 0.282 253 S C 0.436 175.113 174.600 0.128 0.000 1.286 253 S CA -0.212 58.118 58.200 0.216 0.000 1.066 253 S CB 0.226 63.522 63.200 0.159 0.000 0.884 253 S HN 0.402 nan 8.310 nan 0.000 0.491 254 L N 5.375 126.590 121.223 -0.013 0.000 2.700 254 L HA 0.336 4.676 4.340 0.000 0.000 0.234 254 L C 1.525 178.478 176.870 0.139 0.000 1.156 254 L CA 0.149 55.053 54.840 0.106 0.000 0.946 254 L CB -1.064 41.048 42.059 0.089 0.000 1.216 254 L HN 1.064 nan 8.230 nan 0.000 0.493 255 G N 0.973 109.734 108.800 -0.066 0.000 2.509 255 G HA2 -0.093 3.867 3.960 0.000 0.000 0.259 255 G HA3 -0.093 3.867 3.960 0.000 0.000 0.259 255 G C -0.351 174.471 174.900 -0.131 0.000 1.169 255 G CA -0.149 44.923 45.100 -0.048 0.000 0.953 255 G HN 0.638 nan 8.290 nan 0.000 0.563 256 A N -1.433 121.542 122.820 0.258 0.000 2.589 256 A HA 0.753 5.073 4.320 0.000 0.000 0.296 256 A C -0.683 177.252 177.584 0.585 0.000 1.062 256 A CA -0.257 51.982 52.037 0.336 0.000 0.686 256 A CB 1.192 20.419 19.000 0.380 0.000 1.282 256 A HN 1.408 nan 8.150 nan 0.000 0.404 257 L N 1.347 122.833 121.223 0.439 0.000 2.307 257 L HA 0.798 5.138 4.340 0.000 0.000 0.282 257 L C 0.787 177.937 176.870 0.466 0.000 1.051 257 L CA -0.071 55.014 54.840 0.407 0.000 0.804 257 L CB 1.718 43.908 42.059 0.218 0.000 1.197 257 L HN 1.057 nan 8.230 nan 0.000 0.431 258 G N 0.536 109.645 108.800 0.516 0.000 2.554 258 G HA2 0.673 4.633 3.960 0.000 0.000 0.306 258 G HA3 0.673 4.633 3.960 0.000 0.000 0.306 258 G C -0.832 174.341 174.900 0.454 0.000 1.320 258 G CA -0.090 45.340 45.100 0.550 0.000 0.800 258 G HN 0.962 nan 8.290 nan 0.000 0.481 259 G N -1.116 107.917 108.800 0.388 0.000 2.515 259 G HA2 0.243 4.203 3.960 0.000 0.000 0.686 259 G HA3 0.243 4.203 3.960 0.000 0.000 0.686 259 G C -0.491 174.495 174.900 0.143 0.000 1.274 259 G CA -0.295 44.939 45.100 0.223 0.000 0.874 259 G HN 0.656 nan 8.290 nan 0.000 0.631 260 K N 0.850 121.247 120.400 -0.005 0.000 2.230 260 K HA 0.356 4.676 4.320 0.000 0.000 0.253 260 K C -2.153 174.174 176.600 -0.454 0.000 1.008 260 K CA -1.034 55.173 56.287 -0.134 0.000 0.910 260 K CB 0.270 32.688 32.500 -0.136 0.000 0.994 260 K HN 0.252 nan 8.250 nan 0.000 0.495 261 P HA -0.090 nan 4.420 nan 0.000 0.261 261 P C -0.782 175.786 177.300 -1.220 0.000 1.173 261 P CA 0.819 62.916 63.100 -1.672 0.000 0.760 261 P CB 0.128 31.323 31.700 -0.841 0.000 0.783 262 N N 0.870 118.538 118.700 -1.720 0.000 2.778 262 N HA -0.197 4.543 4.740 0.000 0.000 0.249 262 N C -0.297 175.127 175.510 -0.143 0.000 1.069 262 N CA 0.819 53.541 53.050 -0.546 0.000 0.831 262 N CB -1.512 36.820 38.487 -0.259 0.000 1.142 262 N HN 0.523 nan 8.380 nan 0.000 0.573 263 N N -0.470 118.076 118.700 -0.257 0.000 2.622 263 N HA 0.316 5.056 4.740 0.000 0.000 0.304 263 N C -0.767 174.461 175.510 -0.470 0.000 1.844 263 N CA 0.078 52.910 53.050 -0.363 0.000 0.886 263 N CB 0.884 39.157 38.487 -0.356 0.000 1.366 263 N HN 0.292 nan 8.380 nan 0.000 0.491 264 A N 0.786 123.576 122.820 -0.051 0.000 2.363 264 A HA 0.562 4.883 4.320 0.000 0.000 0.270 264 A C -0.931 176.456 177.584 -0.327 0.000 1.121 264 A CA 0.244 52.262 52.037 -0.031 0.000 0.800 264 A CB 0.234 19.399 19.000 0.276 0.000 1.052 264 A HN 0.248 nan 8.150 nan 0.000 0.493 265 Y N -0.152 120.154 120.300 0.009 0.000 2.536 265 Y HA 0.445 4.995 4.550 0.000 0.000 0.347 265 Y C -0.574 175.189 175.900 -0.229 0.000 1.000 265 Y CA -0.978 56.986 58.100 -0.227 0.000 1.051 265 Y CB 1.439 39.417 38.460 -0.802 0.000 1.259 265 Y HN 0.627 nan 8.280 nan 0.000 0.468 266 Y N 3.201 123.479 120.300 -0.037 0.000 2.504 266 Y HA 0.490 5.040 4.550 0.000 0.000 0.339 266 Y C -1.526 174.382 175.900 0.012 0.000 0.974 266 Y CA -2.227 55.886 58.100 0.021 0.000 1.232 266 Y CB -0.331 38.198 38.460 0.115 0.000 1.108 266 Y HN 0.421 nan 8.280 nan 0.000 0.509 267 F N 7.329 127.409 119.950 0.217 0.000 2.438 267 F HA 0.227 4.754 4.527 0.000 0.000 0.356 267 F C 1.183 176.976 175.800 -0.012 0.000 1.099 267 F CA -0.300 57.806 58.000 0.176 0.000 1.185 267 F CB 0.684 39.923 39.000 0.398 0.000 1.115 267 F HN 0.551 nan 8.300 nan 0.000 0.526 268 I N -0.609 119.993 120.570 0.054 0.000 4.403 268 I HA 0.682 4.853 4.170 0.000 0.000 0.331 268 I C 0.718 176.916 176.117 0.136 0.000 1.327 268 I CA 0.008 61.307 61.300 -0.002 0.000 1.175 268 I CB 0.395 38.286 38.000 -0.180 0.000 1.165 268 I HN 0.596 nan 8.210 nan 0.000 0.413 269 G N 1.705 110.417 108.800 -0.146 0.000 2.348 269 G HA2 0.481 4.442 3.960 0.000 0.000 0.296 269 G HA3 0.481 4.442 3.960 0.000 0.000 0.296 269 G C -1.845 172.881 174.900 -0.290 0.000 1.258 269 G CA -0.208 44.733 45.100 -0.265 0.000 0.868 269 G HN 0.343 nan 8.290 nan 0.000 0.488 270 F N -1.630 118.193 119.950 -0.212 0.000 2.713 270 F HA 0.874 5.401 4.527 0.000 0.000 0.311 270 F C -2.137 173.688 175.800 0.041 0.000 1.141 270 F CA -1.400 56.535 58.000 -0.110 0.000 0.939 270 F CB 2.009 40.916 39.000 -0.154 0.000 1.325 270 F HN 0.907 nan 8.300 nan 0.000 0.453 271 L N 2.972 124.249 121.223 0.090 0.000 2.516 271 L HA 0.783 5.123 4.340 0.000 0.000 0.267 271 L C 0.206 177.202 176.870 0.210 0.000 0.957 271 L CA 0.625 55.479 54.840 0.023 0.000 0.860 271 L CB 1.380 43.425 42.059 -0.024 0.000 1.265 271 L HN 1.736 nan 8.230 nan 0.000 0.403 272 G N 4.113 113.068 108.800 0.259 0.000 2.622 272 G HA2 -0.315 3.645 3.960 0.000 0.000 0.307 272 G HA3 -0.315 3.645 3.960 0.000 0.000 0.307 272 G C 0.310 175.370 174.900 0.266 0.000 1.226 272 G CA 0.589 45.829 45.100 0.234 0.000 0.997 272 G HN 0.708 nan 8.290 nan 0.000 0.551 273 D N 2.644 123.144 120.400 0.166 0.000 2.427 273 D HA 0.251 4.891 4.640 0.000 0.000 0.224 273 D C 0.420 176.795 176.300 0.126 0.000 1.157 273 D CA 0.343 54.419 54.000 0.127 0.000 0.828 273 D CB 0.249 41.099 40.800 0.082 0.000 0.974 273 D HN 0.553 nan 8.370 nan 0.000 0.498 274 E N 0.575 120.872 120.200 0.162 0.000 2.171 274 E HA 0.407 4.757 4.350 0.000 0.000 0.271 274 E C -0.177 176.536 176.600 0.188 0.000 0.916 274 E CA -0.625 55.865 56.400 0.150 0.000 0.774 274 E CB 2.503 32.273 29.700 0.116 0.000 1.128 274 E HN 0.010 nan 8.360 nan 0.000 0.403 275 L N 3.318 124.657 121.223 0.193 0.000 2.375 275 L HA 0.450 4.790 4.340 0.000 0.000 0.271 275 L C -0.043 176.999 176.870 0.287 0.000 1.107 275 L CA -0.508 54.464 54.840 0.220 0.000 0.806 275 L CB 0.566 42.772 42.059 0.245 0.000 1.146 275 L HN 0.390 nan 8.230 nan 0.000 0.447 276 I N 2.370 123.060 120.570 0.201 0.000 2.441 276 I HA 0.446 4.616 4.170 0.000 0.000 0.295 276 I C -0.604 175.621 176.117 0.181 0.000 0.994 276 I CA -0.452 60.904 61.300 0.093 0.000 1.144 276 I CB 1.353 39.328 38.000 -0.041 0.000 1.314 276 I HN 0.424 nan 8.210 nan 0.000 0.445 277 F N 4.543 124.454 119.950 -0.065 0.000 2.643 277 F HA 0.745 5.272 4.527 0.000 0.000 0.314 277 F C -1.782 173.934 175.800 -0.140 0.000 1.096 277 F CA -1.192 56.712 58.000 -0.160 0.000 0.953 277 F CB 1.118 39.902 39.000 -0.361 0.000 1.345 277 F HN 0.083 nan 8.300 nan 0.000 0.468 278 L N 1.858 123.145 121.223 0.107 0.000 2.309 278 L HA 0.427 4.768 4.340 0.000 0.000 0.282 278 L C -1.112 176.031 176.870 0.456 0.000 1.036 278 L CA -0.611 54.320 54.840 0.152 0.000 0.806 278 L CB 1.443 43.649 42.059 0.246 0.000 1.220 278 L HN 0.633 nan 8.230 nan 0.000 0.429 279 D N 4.647 125.334 120.400 0.478 0.000 2.381 279 D HA 0.273 4.913 4.640 0.000 0.000 0.235 279 D C -1.926 174.676 176.300 0.504 0.000 1.068 279 D CA -1.937 52.438 54.000 0.625 0.000 0.832 279 D CB 2.224 43.359 40.800 0.559 0.000 1.101 279 D HN 0.180 nan 8.370 nan 0.000 0.515 280 P HA 0.002 nan 4.420 nan 0.000 0.249 280 P C 0.078 177.006 177.300 -0.621 0.000 1.229 280 P CA 0.168 63.103 63.100 -0.275 0.000 0.788 280 P CB 0.091 31.543 31.700 -0.414 0.000 1.072 281 H N 0.474 119.401 119.070 -0.238 0.000 2.983 281 H HA 0.263 4.819 4.556 0.000 0.000 0.222 281 H C -0.148 175.159 175.328 -0.036 0.000 1.828 281 H CA 0.449 56.319 56.048 -0.297 0.000 1.309 281 H CB -0.511 29.231 29.762 -0.033 0.000 1.644 281 H HN 0.020 nan 8.280 nan 0.000 0.561 282 T N 0.858 115.399 114.554 -0.022 0.000 2.921 282 T HA 0.163 4.513 4.350 0.000 0.000 0.297 282 T C 0.289 175.022 174.700 0.055 0.000 1.013 282 T CA -0.672 61.475 62.100 0.078 0.000 0.990 282 T CB 2.142 71.069 68.868 0.097 0.000 1.023 282 T HN 0.135 nan 8.240 nan 0.000 0.447 283 T N 4.590 119.220 114.554 0.127 0.000 2.728 283 T HA 0.386 4.736 4.350 0.000 0.000 0.296 283 T C 0.023 174.735 174.700 0.020 0.000 0.940 283 T CA -0.534 61.628 62.100 0.103 0.000 1.013 283 T CB 0.549 69.468 68.868 0.085 0.000 0.912 283 T HN 0.461 nan 8.240 nan 0.000 0.484 284 Q N 1.404 121.191 119.800 -0.021 0.000 2.378 284 Q HA 0.486 4.826 4.340 0.000 0.000 0.276 284 Q C -0.328 175.675 176.000 0.005 0.000 1.083 284 Q CA -1.028 54.747 55.803 -0.048 0.000 0.856 284 Q CB 1.474 30.117 28.738 -0.158 0.000 1.383 284 Q HN 0.462 nan 8.270 nan 0.000 0.458 285 T N 1.381 115.943 114.554 0.013 0.000 2.856 285 T HA 0.175 4.526 4.350 0.000 0.000 0.292 285 T C -0.272 174.516 174.700 0.146 0.000 0.980 285 T CA -0.426 61.720 62.100 0.076 0.000 1.091 285 T CB 0.099 68.998 68.868 0.050 0.000 0.936 285 T HN 0.349 nan 8.240 nan 0.000 0.503 286 F N 4.440 124.447 119.950 0.095 0.000 2.579 286 F HA 0.103 4.630 4.527 0.000 0.000 0.397 286 F C -0.365 175.514 175.800 0.132 0.000 1.027 286 F CA -0.349 57.753 58.000 0.170 0.000 1.217 286 F CB -0.074 39.064 39.000 0.231 0.000 0.986 286 F HN 0.215 nan 8.300 nan 0.000 0.551 287 V N 7.211 127.002 119.914 -0.204 0.000 2.370 287 V HA 0.259 4.379 4.120 0.000 0.000 0.283 287 V C -0.059 175.679 176.094 -0.593 0.000 1.023 287 V CA -0.660 61.469 62.300 -0.286 0.000 0.857 287 V CB 1.293 33.178 31.823 0.104 0.000 0.985 287 V HN 0.748 nan 8.190 nan 0.000 0.443 288 D N 2.167 122.181 120.400 -0.645 0.000 2.449 288 D HA 0.480 5.121 4.640 0.000 0.000 0.250 288 D C 0.149 176.356 176.300 -0.155 0.000 1.050 288 D CA -0.174 53.558 54.000 -0.446 0.000 1.024 288 D CB 2.167 42.708 40.800 -0.432 0.000 1.218 288 D HN 0.632 nan 8.370 nan 0.000 0.566 289 T N -0.597 113.913 114.554 -0.074 0.000 2.918 289 T HA 0.299 4.649 4.350 0.000 0.000 0.302 289 T C 0.410 175.094 174.700 -0.027 0.000 1.045 289 T CA -0.691 61.388 62.100 -0.035 0.000 1.114 289 T CB 0.929 69.783 68.868 -0.024 0.000 0.965 289 T HN 0.162 nan 8.240 nan 0.000 0.540 290 E N 1.419 121.614 120.200 -0.009 0.000 2.322 290 E HA 0.182 4.532 4.350 0.000 0.000 0.257 290 E C 1.081 177.681 176.600 -0.001 0.000 1.155 290 E CA -0.673 55.726 56.400 -0.001 0.000 0.936 290 E CB 0.635 30.343 29.700 0.013 0.000 1.130 290 E HN 0.829 nan 8.360 nan 0.000 0.465 291 E N 0.976 121.178 120.200 0.003 0.000 2.160 291 E HA -0.188 4.162 4.350 0.000 0.000 0.195 291 E C 1.129 177.730 176.600 0.001 0.000 0.991 291 E CA 1.241 57.642 56.400 0.002 0.000 0.810 291 E CB -0.170 29.533 29.700 0.004 0.000 0.742 291 E HN 0.419 nan 8.360 nan 0.000 0.466 292 N N -0.915 117.788 118.700 0.006 0.000 2.449 292 N HA 0.032 4.772 4.740 0.000 0.000 0.191 292 N C 1.118 176.629 175.510 0.001 0.000 1.161 292 N CA 0.958 54.012 53.050 0.006 0.000 0.863 292 N CB 0.186 38.682 38.487 0.016 0.000 0.980 292 N HN 0.173 nan 8.380 nan 0.000 0.458 293 G N -0.836 107.960 108.800 -0.006 0.000 2.199 293 G HA2 -0.318 3.642 3.960 0.000 0.000 0.254 293 G HA3 -0.318 3.642 3.960 0.000 0.000 0.254 293 G C 0.273 175.163 174.900 -0.017 0.000 0.982 293 G CA 0.786 45.876 45.100 -0.018 0.000 0.632 293 G HN 0.857 nan 8.290 nan 0.000 0.529 294 T N -2.243 112.313 114.554 0.003 0.000 2.881 294 T HA 0.727 5.077 4.350 0.000 0.000 0.278 294 T C -0.008 174.703 174.700 0.018 0.000 0.982 294 T CA -0.226 61.883 62.100 0.015 0.000 0.989 294 T CB 2.695 71.595 68.868 0.052 0.000 1.058 294 T HN 0.917 nan 8.240 nan 0.000 0.529 295 V N 1.802 121.732 119.914 0.027 0.000 2.628 295 V HA 0.370 4.490 4.120 0.000 0.000 0.306 295 V C -0.383 175.782 176.094 0.118 0.000 1.045 295 V CA -1.184 61.145 62.300 0.047 0.000 0.905 295 V CB 1.711 33.537 31.823 0.006 0.000 0.997 295 V HN 0.942 nan 8.190 nan 0.000 0.436 296 N N 3.967 122.750 118.700 0.137 0.000 2.440 296 N HA 0.030 4.770 4.740 0.000 0.000 0.265 296 N C 0.316 176.010 175.510 0.307 0.000 1.239 296 N CA 0.186 53.349 53.050 0.188 0.000 0.909 296 N CB 0.853 39.423 38.487 0.137 0.000 1.066 296 N HN 0.805 nan 8.380 nan 0.000 0.474 297 D N 1.220 121.841 120.400 0.367 0.000 2.369 297 D HA -0.022 4.618 4.640 0.000 0.000 0.211 297 D C 0.736 177.358 176.300 0.537 0.000 1.077 297 D CA 0.294 54.609 54.000 0.525 0.000 0.842 297 D CB 0.182 41.312 40.800 0.550 0.000 0.947 297 D HN 0.224 nan 8.370 nan 0.000 0.509 298 Q N 0.442 120.467 119.800 0.375 0.000 2.096 298 Q HA -0.098 4.242 4.340 0.000 0.000 0.204 298 Q C 2.088 178.226 176.000 0.230 0.000 0.982 298 Q CA 2.412 58.403 55.803 0.313 0.000 0.850 298 Q CB -0.814 28.052 28.738 0.213 0.000 0.901 298 Q HN 0.540 nan 8.270 nan 0.000 0.422 299 T N -2.698 111.891 114.554 0.058 0.000 3.160 299 T HA 0.025 4.375 4.350 0.000 0.000 0.257 299 T C 0.659 175.157 174.700 -0.336 0.000 1.147 299 T CA 0.233 62.247 62.100 -0.144 0.000 1.064 299 T CB -0.216 68.448 68.868 -0.340 0.000 0.949 299 T HN 0.106 nan 8.240 nan 0.000 0.526 300 F N 1.140 121.092 119.950 0.003 0.000 2.641 300 F HA 0.385 4.912 4.527 0.000 0.000 0.302 300 F C 0.872 176.404 175.800 -0.447 0.000 1.098 300 F CA -0.778 57.060 58.000 -0.269 0.000 1.318 300 F CB 0.070 38.841 39.000 -0.381 0.000 1.035 300 F HN 0.280 nan 8.300 nan 0.000 0.551 301 H N -0.763 118.386 119.070 0.132 0.000 2.689 301 H HA 0.234 4.790 4.556 0.000 0.000 0.346 301 H C -0.846 174.461 175.328 -0.035 0.000 1.037 301 H CA -0.977 55.013 56.048 -0.097 0.000 1.234 301 H CB 1.938 31.419 29.762 -0.467 0.000 1.572 301 H HN -0.035 nan 8.280 nan 0.000 0.524 302 C N 5.509 124.644 119.300 -0.274 0.000 2.373 302 C HA 0.176 4.637 4.460 0.000 0.000 0.354 302 C C 1.019 175.761 174.990 -0.413 0.000 1.249 302 C CA -0.428 58.095 59.018 -0.825 0.000 1.784 302 C CB -1.406 25.365 27.740 -1.615 0.000 2.408 302 C HN 0.631 nan 8.230 nan 0.000 0.542 303 L N 4.652 125.704 121.223 -0.285 0.000 2.640 303 L HA 0.270 4.610 4.340 0.000 0.000 0.230 303 L C 1.439 178.212 176.870 -0.162 0.000 1.123 303 L CA 0.856 55.616 54.840 -0.132 0.000 0.900 303 L CB -1.187 40.856 42.059 -0.027 0.000 1.146 303 L HN 0.754 nan 8.230 nan 0.000 0.484 304 Q N -0.568 119.084 119.800 -0.247 0.000 2.535 304 Q HA 0.148 4.489 4.340 0.000 0.000 0.228 304 Q C 0.533 176.414 176.000 -0.198 0.000 1.062 304 Q CA -0.102 55.577 55.803 -0.207 0.000 0.967 304 Q CB 0.468 29.058 28.738 -0.246 0.000 1.273 304 Q HN 0.131 nan 8.270 nan 0.000 0.554 305 S N 2.145 117.748 115.700 -0.162 0.000 2.558 305 S HA 0.051 4.521 4.470 0.000 0.000 0.287 305 S C -2.178 172.294 174.600 -0.213 0.000 1.321 305 S CA -0.961 57.143 58.200 -0.159 0.000 1.048 305 S CB -0.134 62.991 63.200 -0.125 0.000 0.844 305 S HN 0.353 nan 8.310 nan 0.000 0.512 306 P HA 0.029 nan 4.420 nan 0.000 0.264 306 P C -0.634 176.476 177.300 -0.318 0.000 1.183 306 P CA 0.046 62.990 63.100 -0.258 0.000 0.763 306 P CB 0.323 31.903 31.700 -0.199 0.000 0.807 307 Q N 3.314 122.808 119.800 -0.511 0.000 2.274 307 Q HA 0.340 4.680 4.340 0.000 0.000 0.256 307 Q C 0.157 175.729 176.000 -0.713 0.000 0.927 307 Q CA 0.126 55.468 55.803 -0.770 0.000 0.939 307 Q CB 1.489 29.381 28.738 -1.411 0.000 1.201 307 Q HN 0.415 nan 8.270 nan 0.000 0.426 308 R N 2.168 122.507 120.500 -0.267 0.000 2.740 308 R HA 0.743 5.083 4.340 0.000 0.000 0.282 308 R C -0.100 176.381 176.300 0.301 0.000 0.969 308 R CA -0.584 55.551 56.100 0.058 0.000 0.918 308 R CB 1.881 32.195 30.300 0.022 0.000 1.175 308 R HN 0.659 nan 8.270 nan 0.000 0.464 309 M N -0.122 119.681 119.600 0.339 0.000 2.470 309 M HA 0.409 4.889 4.480 0.000 0.000 0.285 309 M C -1.184 175.211 176.300 0.159 0.000 1.213 309 M CA -1.028 54.408 55.300 0.226 0.000 0.901 309 M CB 2.139 34.853 32.600 0.190 0.000 1.718 309 M HN 0.267 nan 8.290 nan 0.000 0.469 310 N N 1.978 120.741 118.700 0.105 0.000 2.454 310 N HA 0.166 4.906 4.740 0.000 0.000 0.260 310 N C 0.678 176.222 175.510 0.058 0.000 1.218 310 N CA 0.181 53.278 53.050 0.078 0.000 0.904 310 N CB 0.813 39.334 38.487 0.057 0.000 1.065 310 N HN 0.883 nan 8.380 nan 0.000 0.462 311 I N 3.362 123.961 120.570 0.048 0.000 2.264 311 I HA -0.312 3.858 4.170 0.000 0.000 0.248 311 I C 1.872 177.969 176.117 -0.034 0.000 1.111 311 I CA 0.995 62.296 61.300 0.001 0.000 1.382 311 I CB -0.092 37.921 38.000 0.022 0.000 1.060 311 I HN 0.537 nan 8.210 nan 0.000 0.418 312 L N 0.724 121.943 121.223 -0.006 0.000 2.456 312 L HA -0.133 4.207 4.340 0.000 0.000 0.224 312 L C 1.510 178.376 176.870 -0.007 0.000 1.148 312 L CA 0.734 55.568 54.840 -0.010 0.000 0.825 312 L CB -0.634 41.427 42.059 0.004 0.000 0.937 312 L HN 0.335 nan 8.230 nan 0.000 0.450 313 N N -0.100 118.603 118.700 0.004 0.000 2.336 313 N HA 0.071 4.811 4.740 0.000 0.000 0.189 313 N C 0.289 175.809 175.510 0.016 0.000 1.113 313 N CA 0.008 53.068 53.050 0.017 0.000 0.858 313 N CB 0.219 38.728 38.487 0.037 0.000 0.970 313 N HN 0.106 nan 8.380 nan 0.000 0.471 314 L N 1.750 122.959 121.223 -0.025 0.000 2.416 314 L HA 0.097 4.437 4.340 0.000 0.000 0.272 314 L C 0.541 177.393 176.870 -0.030 0.000 1.161 314 L CA -0.130 54.681 54.840 -0.047 0.000 0.845 314 L CB 0.346 42.275 42.059 -0.217 0.000 1.119 314 L HN 0.066 nan 8.230 nan 0.000 0.464 315 D N 6.815 127.234 120.400 0.032 0.000 2.488 315 D HA -0.009 4.631 4.640 0.000 0.000 0.238 315 D C -1.704 174.595 176.300 -0.002 0.000 1.138 315 D CA -0.843 53.179 54.000 0.037 0.000 0.873 315 D CB 1.499 42.352 40.800 0.088 0.000 1.183 315 D HN 0.458 nan 8.370 nan 0.000 0.458 316 P HA -0.065 nan 4.420 nan 0.000 0.226 316 P C 0.412 177.706 177.300 -0.011 0.000 1.153 316 P CA 0.308 63.392 63.100 -0.027 0.000 0.777 316 P CB 0.304 32.007 31.700 0.005 0.000 0.794 317 S N 0.611 116.337 115.700 0.044 0.000 2.411 317 S HA 0.417 4.887 4.470 0.000 0.000 0.294 317 S C -0.050 174.619 174.600 0.114 0.000 1.115 317 S CA -0.583 57.665 58.200 0.080 0.000 1.071 317 S CB -0.440 62.832 63.200 0.119 0.000 0.967 317 S HN -0.014 nan 8.310 nan 0.000 0.488 318 V N 1.914 121.887 119.914 0.098 0.000 3.167 318 V HA 1.054 5.174 4.120 0.000 0.000 0.310 318 V C -0.575 175.605 176.094 0.144 0.000 1.207 318 V CA -1.047 61.347 62.300 0.157 0.000 1.059 318 V CB 1.420 33.337 31.823 0.157 0.000 1.079 318 V HN 0.972 nan 8.190 nan 0.000 0.446 319 A N 2.012 124.937 122.820 0.173 0.000 2.402 319 A HA 0.806 5.126 4.320 0.000 0.000 0.291 319 A C -0.842 176.797 177.584 0.092 0.000 1.051 319 A CA -0.642 51.459 52.037 0.107 0.000 0.716 319 A CB 1.004 20.048 19.000 0.074 0.000 1.223 319 A HN 1.017 nan 8.150 nan 0.000 0.425 320 L N 1.939 123.173 121.223 0.018 0.000 2.397 320 L HA 0.566 4.906 4.340 0.000 0.000 0.271 320 L C 0.980 177.701 176.870 -0.248 0.000 1.148 320 L CA -0.035 54.707 54.840 -0.164 0.000 0.825 320 L CB 1.031 42.996 42.059 -0.157 0.000 1.117 320 L HN 0.782 nan 8.230 nan 0.000 0.456 321 G N 1.809 110.340 108.800 -0.448 0.000 2.495 321 G HA2 0.734 4.694 3.960 0.000 0.000 0.318 321 G HA3 0.734 4.694 3.960 0.000 0.000 0.318 321 G C -1.424 173.059 174.900 -0.695 0.000 1.257 321 G CA -0.274 44.618 45.100 -0.346 0.000 0.962 321 G HN 0.288 nan 8.290 nan 0.000 0.483 322 F N 0.101 120.037 119.950 -0.024 0.000 2.599 322 F HA 0.622 5.149 4.527 0.000 0.000 0.311 322 F C -0.905 174.920 175.800 0.043 0.000 1.076 322 F CA -1.009 56.964 58.000 -0.044 0.000 0.937 322 F CB 2.751 41.555 39.000 -0.327 0.000 1.282 322 F HN 0.437 nan 8.300 nan 0.000 0.460 323 F N 2.527 122.556 119.950 0.131 0.000 2.477 323 F HA 0.648 5.176 4.527 0.000 0.000 0.335 323 F C -1.196 174.663 175.800 0.098 0.000 1.130 323 F CA -1.283 56.766 58.000 0.082 0.000 0.948 323 F CB 0.984 40.030 39.000 0.077 0.000 1.154 323 F HN 0.444 nan 8.300 nan 0.000 0.439 324 C N 7.582 126.539 119.300 -0.572 0.000 2.362 324 C HA 0.312 4.773 4.460 0.000 0.000 0.309 324 C C 1.460 176.091 174.990 -0.599 0.000 1.110 324 C CA -0.960 57.801 59.018 -0.428 0.000 1.485 324 C CB 0.442 28.172 27.740 -0.016 0.000 1.949 324 C HN 1.073 nan 8.230 nan 0.000 0.419 325 K N 1.665 121.585 120.400 -0.800 0.000 2.097 325 K HA -0.022 4.298 4.320 0.000 0.000 0.205 325 K C 0.616 177.145 176.600 -0.120 0.000 1.050 325 K CA 1.367 57.356 56.287 -0.497 0.000 0.938 325 K CB 0.360 32.734 32.500 -0.210 0.000 0.718 325 K HN 0.765 nan 8.250 nan 0.000 0.442 326 E N -1.026 119.007 120.200 -0.277 0.000 2.410 326 E HA 0.043 4.393 4.350 0.000 0.000 0.269 326 E C -0.098 175.822 176.600 -1.134 0.000 0.937 326 E CA -0.467 55.609 56.400 -0.540 0.000 0.793 326 E CB 1.522 31.046 29.700 -0.293 0.000 1.314 326 E HN 0.083 nan 8.360 nan 0.000 0.447 327 E N 1.407 120.646 120.200 -1.602 0.000 2.085 327 E HA -0.261 4.089 4.350 0.000 0.000 0.194 327 E C 1.751 177.942 176.600 -0.681 0.000 0.994 327 E CA 2.110 57.514 56.400 -1.660 0.000 0.801 327 E CB 0.046 29.138 29.700 -1.014 0.000 0.743 327 E HN 0.467 nan 8.360 nan 0.000 0.453 328 K N 0.201 120.345 120.400 -0.428 0.000 2.152 328 K HA -0.197 4.123 4.320 0.000 0.000 0.206 328 K C 1.506 178.002 176.600 -0.173 0.000 1.048 328 K CA 1.834 57.983 56.287 -0.231 0.000 0.933 328 K CB -0.097 32.306 32.500 -0.161 0.000 0.721 328 K HN 0.092 nan 8.250 nan 0.000 0.447 329 D N 0.390 120.674 120.400 -0.193 0.000 2.144 329 D HA -0.135 4.505 4.640 0.000 0.000 0.200 329 D C 1.735 178.038 176.300 0.006 0.000 0.978 329 D CA 0.947 54.894 54.000 -0.089 0.000 0.833 329 D CB -0.221 40.505 40.800 -0.124 0.000 0.961 329 D HN 0.238 nan 8.370 nan 0.000 0.470 330 F N 2.294 122.129 119.950 -0.191 0.000 2.163 330 F HA -0.129 4.398 4.527 0.000 0.000 0.297 330 F C 1.715 177.547 175.800 0.054 0.000 1.094 330 F CA 1.153 59.133 58.000 -0.033 0.000 1.290 330 F CB -0.110 38.887 39.000 -0.006 0.000 1.017 330 F HN -0.246 nan 8.300 nan 0.000 0.483 331 D N 0.059 120.336 120.400 -0.206 0.000 2.123 331 D HA -0.241 4.400 4.640 0.000 0.000 0.196 331 D C 2.139 178.314 176.300 -0.208 0.000 0.992 331 D CA 1.318 55.166 54.000 -0.253 0.000 0.833 331 D CB -0.804 39.905 40.800 -0.151 0.000 0.954 331 D HN 0.421 nan 8.370 nan 0.000 0.455 332 N N -0.364 118.263 118.700 -0.123 0.000 2.120 332 N HA -0.174 4.566 4.740 0.000 0.000 0.188 332 N C 1.962 177.424 175.510 -0.080 0.000 1.024 332 N CA 0.956 53.957 53.050 -0.083 0.000 0.852 332 N CB -0.204 38.264 38.487 -0.032 0.000 1.003 332 N HN 0.242 nan 8.380 nan 0.000 0.424 333 W N 2.004 123.165 121.300 -0.232 0.000 2.335 333 W HA -0.199 4.461 4.660 0.000 0.000 0.311 333 W C 2.560 178.886 176.519 -0.322 0.000 1.213 333 W CA 1.363 58.554 57.345 -0.256 0.000 1.274 333 W CB -0.740 28.579 29.460 -0.234 0.000 1.148 333 W HN 0.108 nan 8.180 nan 0.000 0.498 334 C N 0.114 119.160 119.300 -0.423 0.000 2.398 334 C HA -0.230 4.230 4.460 0.000 0.000 0.276 334 C C 2.910 177.613 174.990 -0.477 0.000 1.222 334 C CA 1.755 60.426 59.018 -0.579 0.000 1.746 334 C CB -1.493 25.957 27.740 -0.484 0.000 2.039 334 C HN 0.409 nan 8.230 nan 0.000 0.470 335 S N 1.050 116.549 115.700 -0.335 0.000 2.368 335 S HA -0.103 4.367 4.470 0.000 0.000 0.225 335 S C 1.699 176.134 174.600 -0.275 0.000 1.030 335 S CA 1.344 59.392 58.200 -0.253 0.000 0.999 335 S CB -0.386 62.709 63.200 -0.174 0.000 0.844 335 S HN 0.575 nan 8.310 nan 0.000 0.459 336 L N 0.897 121.932 121.223 -0.312 0.000 2.093 336 L HA -0.052 4.288 4.340 0.000 0.000 0.208 336 L C 2.328 178.969 176.870 -0.381 0.000 1.085 336 L CA 0.753 55.419 54.840 -0.290 0.000 0.755 336 L CB -0.727 41.190 42.059 -0.237 0.000 0.904 336 L HN 0.196 nan 8.230 nan 0.000 0.435 337 V N -0.312 119.236 119.914 -0.609 0.000 2.358 337 V HA -0.294 3.827 4.120 0.000 0.000 0.246 337 V C 2.475 178.296 176.094 -0.455 0.000 1.047 337 V CA 1.654 63.566 62.300 -0.648 0.000 1.035 337 V CB -0.491 30.713 31.823 -1.032 0.000 0.658 337 V HN 0.470 nan 8.190 nan 0.000 0.452 338 Q N -0.238 119.326 119.800 -0.393 0.000 2.096 338 Q HA -0.275 4.065 4.340 0.000 0.000 0.204 338 Q C 2.369 178.240 176.000 -0.216 0.000 0.982 338 Q CA 2.106 57.745 55.803 -0.274 0.000 0.850 338 Q CB -0.236 28.365 28.738 -0.227 0.000 0.901 338 Q HN 0.573 nan 8.270 nan 0.000 0.422 339 K N 0.042 120.319 120.400 -0.206 0.000 2.062 339 K HA -0.140 4.181 4.320 0.000 0.000 0.205 339 K C 1.483 177.996 176.600 -0.144 0.000 1.051 339 K CA 1.188 57.383 56.287 -0.152 0.000 0.941 339 K CB 0.350 32.771 32.500 -0.132 0.000 0.719 339 K HN 0.068 nan 8.250 nan 0.000 0.440 340 E N -0.252 119.844 120.200 -0.173 0.000 2.372 340 E HA 0.029 4.379 4.350 0.000 0.000 0.201 340 E C 1.819 178.328 176.600 -0.150 0.000 0.938 340 E CA 0.253 56.569 56.400 -0.141 0.000 0.944 340 E CB 0.552 30.173 29.700 -0.131 0.000 0.937 340 E HN 0.276 nan 8.360 nan 0.000 0.495 341 I N 0.441 120.874 120.570 -0.227 0.000 2.899 341 I HA 0.013 4.183 4.170 0.000 0.000 0.257 341 I C 2.296 178.259 176.117 -0.257 0.000 1.115 341 I CA 0.540 61.676 61.300 -0.273 0.000 1.451 341 I CB -0.897 36.799 38.000 -0.507 0.000 1.251 341 I HN 0.004 nan 8.210 nan 0.000 0.456 342 L N 1.361 122.418 121.223 -0.276 0.000 2.376 342 L HA -0.111 4.230 4.340 0.000 0.000 0.219 342 L C 2.345 179.133 176.870 -0.136 0.000 1.133 342 L CA 0.667 55.379 54.840 -0.213 0.000 0.816 342 L CB -0.576 41.354 42.059 -0.215 0.000 0.933 342 L HN 0.333 nan 8.230 nan 0.000 0.449 343 K N -0.153 120.173 120.400 -0.124 0.000 2.280 343 K HA -0.059 4.261 4.320 0.000 0.000 0.202 343 K C 0.449 177.009 176.600 -0.066 0.000 1.047 343 K CA 0.610 56.845 56.287 -0.087 0.000 0.942 343 K CB -0.103 32.349 32.500 -0.080 0.000 0.739 343 K HN 0.159 nan 8.250 nan 0.000 0.457 344 E N 1.830 121.991 120.200 -0.066 0.000 2.384 344 E HA -0.005 4.345 4.350 0.000 0.000 0.266 344 E C -0.019 176.560 176.600 -0.035 0.000 1.012 344 E CA 0.090 56.465 56.400 -0.043 0.000 0.901 344 E CB 0.723 30.408 29.700 -0.024 0.000 0.967 344 E HN 0.338 nan 8.360 nan 0.000 0.435 345 N N 1.318 119.998 118.700 -0.033 0.000 2.104 345 N HA -0.127 4.614 4.740 0.000 0.000 0.190 345 N C 0.139 175.640 175.510 -0.015 0.000 1.024 345 N CA 0.620 53.654 53.050 -0.027 0.000 0.853 345 N CB 0.119 38.588 38.487 -0.031 0.000 1.008 345 N HN 0.191 nan 8.380 nan 0.000 0.424 346 L N 2.175 123.386 121.223 -0.020 0.000 2.264 346 L HA 0.299 4.639 4.340 0.000 0.000 0.287 346 L C -0.182 176.746 176.870 0.097 0.000 1.039 346 L CA 0.061 54.910 54.840 0.016 0.000 0.829 346 L CB 0.995 43.005 42.059 -0.083 0.000 1.211 346 L HN 0.116 nan 8.230 nan 0.000 0.427 347 R N 2.754 123.322 120.500 0.114 0.000 2.390 347 R HA 0.214 4.554 4.340 0.000 0.000 0.291 347 R C 1.117 177.535 176.300 0.196 0.000 1.070 347 R CA -0.285 55.866 56.100 0.085 0.000 1.014 347 R CB 1.573 31.859 30.300 -0.023 0.000 1.007 347 R HN 0.567 nan 8.270 nan 0.000 0.466 348 M N 2.703 122.391 119.600 0.147 0.000 2.175 348 M HA 0.009 4.489 4.480 0.000 0.000 0.264 348 M C -0.426 175.973 176.300 0.164 0.000 1.063 348 M CA 1.769 57.116 55.300 0.078 0.000 1.119 348 M CB 0.377 33.085 32.600 0.181 0.000 1.377 348 M HN 0.566 nan 8.290 nan 0.000 0.415 349 F N -1.959 118.021 119.950 0.050 0.000 2.685 349 F HA 0.632 5.159 4.527 0.000 0.000 0.315 349 F C -1.266 174.568 175.800 0.056 0.000 1.126 349 F CA -1.395 56.643 58.000 0.063 0.000 0.950 349 F CB 0.695 39.762 39.000 0.112 0.000 1.360 349 F HN -0.273 nan 8.300 nan 0.000 0.469 350 E N 1.566 121.914 120.200 0.247 0.000 2.214 350 E HA 0.559 4.909 4.350 0.000 0.000 0.274 350 E C -1.634 175.100 176.600 0.223 0.000 0.977 350 E CA -0.807 55.663 56.400 0.117 0.000 0.827 350 E CB 2.650 32.414 29.700 0.108 0.000 1.130 350 E HN 0.711 nan 8.360 nan 0.000 0.394 351 L N 2.621 123.896 121.223 0.086 0.000 2.406 351 L HA 0.353 4.693 4.340 0.000 0.000 0.270 351 L C -1.091 175.814 176.870 0.060 0.000 0.982 351 L CA -0.810 54.102 54.840 0.120 0.000 0.843 351 L CB 1.516 43.580 42.059 0.008 0.000 1.225 351 L HN 0.343 nan 8.230 nan 0.000 0.412 352 V N 2.018 121.990 119.914 0.097 0.000 2.914 352 V HA 0.610 4.730 4.120 0.000 0.000 0.314 352 V C 0.527 176.671 176.094 0.082 0.000 1.084 352 V CA -0.507 61.832 62.300 0.066 0.000 0.963 352 V CB 1.863 33.721 31.823 0.058 0.000 1.025 352 V HN 0.840 nan 8.190 nan 0.000 0.432 353 Q N 2.519 122.357 119.800 0.063 0.000 1.994 353 Q HA 0.147 4.488 4.340 0.000 0.000 0.198 353 Q C 0.610 176.665 176.000 0.092 0.000 0.976 353 Q CA 1.757 57.605 55.803 0.075 0.000 0.828 353 Q CB 0.069 28.838 28.738 0.052 0.000 0.894 353 Q HN 0.802 nan 8.270 nan 0.000 0.432 354 K N 0.558 121.007 120.400 0.082 0.000 2.159 354 K HA 0.172 4.492 4.320 0.000 0.000 0.266 354 K C -1.037 175.632 176.600 0.116 0.000 0.975 354 K CA -0.775 55.572 56.287 0.100 0.000 0.865 354 K CB 1.103 33.652 32.500 0.081 0.000 1.087 354 K HN 0.250 nan 8.250 nan 0.000 0.446 355 H N 3.453 122.561 119.070 0.063 0.000 3.107 355 H HA 0.033 4.590 4.556 0.000 0.000 0.301 355 H C -2.048 173.317 175.328 0.061 0.000 0.981 355 H CA -0.751 55.337 56.048 0.066 0.000 1.443 355 H CB 0.260 30.053 29.762 0.053 0.000 1.479 355 H HN 0.239 nan 8.280 nan 0.000 0.564 356 P HA -0.062 nan 4.420 nan 0.000 0.262 356 P C -0.540 176.813 177.300 0.089 0.000 1.182 356 P CA 0.127 63.207 63.100 -0.034 0.000 0.761 356 P CB 0.755 32.401 31.700 -0.091 0.000 0.795 357 S N 1.812 117.577 115.700 0.109 0.000 2.572 357 S HA 0.124 4.594 4.470 0.000 0.000 0.279 357 S C -0.320 174.375 174.600 0.157 0.000 1.341 357 S CA 0.002 58.280 58.200 0.131 0.000 1.043 357 S CB -0.119 63.139 63.200 0.097 0.000 0.887 357 S HN 0.518 nan 8.310 nan 0.000 0.516 358 H N 3.445 122.526 119.070 0.018 0.000 2.637 358 H HA 0.483 5.040 4.556 0.000 0.000 0.363 358 H C 0.126 175.424 175.328 -0.051 0.000 1.131 358 H CA -0.933 55.074 56.048 -0.069 0.000 1.183 358 H CB 0.559 30.205 29.762 -0.194 0.000 1.637 358 H HN 0.752 nan 8.280 nan 0.000 0.531 359 W N 0.000 120.985 121.300 -0.525 0.000 2.388 359 W HA 0.000 4.660 4.660 0.000 0.000 0.303 359 W CA 0.000 57.157 57.345 -0.314 0.000 1.226 359 W CB 0.000 29.275 29.460 -0.309 0.000 1.126 359 W HN 0.000 nan 8.180 nan 0.000 0.535