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_C DATA FIRST_RESID 25 DATA SEQUENCE TDELVWILGK QHLLKTEKSK LLSDISARLW FTYRRKFSPI GGTGPSSDAG DATA SEQUENCE WGCMLRCGQM MLAQALICRH LGRDWSWXXX KEQPKEYQRI LQCFLDRKDC DATA SEQUENCE CYSIHQMAQM GVGEGKSIGE WFGPNTVAQV LKKLALFDEW NSLAVYVSMD DATA SEQUENCE NTVVIEDIKK MCRVLPLSXX XXXXXXXXXX XXXXXXXXXX XXXSAWKPLL DATA SEQUENCE LIVPLRLGIN QINPVYVDAF KECFKMPQSL GALGGKPNNA YYFIGFLGDE DATA SEQUENCE LIFLDPHTTQ TFVDTEENGT VNDQTFHCLQ SPQRMNILNL DPSVALGFFC DATA SEQUENCE KEEKDFDNWC SLVQKEILKE NLRMFELVQK HPSHW 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 25 T HA 0.000 nan 4.350 nan 0.000 0.228 25 T C 0.000 174.690 174.700 -0.016 0.000 1.109 25 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 25 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 26 D N 1.321 121.706 120.400 -0.025 0.000 2.705 26 D HA -0.133 4.507 4.640 -0.000 0.000 0.240 26 D C 0.205 176.486 176.300 -0.033 0.000 1.137 26 D CA 1.051 55.032 54.000 -0.032 0.000 0.677 26 D CB -0.373 40.409 40.800 -0.030 0.000 1.049 26 D HN 0.629 nan 8.370 nan 0.000 0.427 27 E N -0.373 119.808 120.200 -0.031 0.000 2.371 27 E HA 0.439 4.789 4.350 -0.000 0.000 0.257 27 E C 0.066 176.624 176.600 -0.069 0.000 1.134 27 E CA -0.644 55.738 56.400 -0.030 0.000 0.919 27 E CB 0.531 30.225 29.700 -0.010 0.000 1.025 27 E HN 0.234 nan 8.360 nan 0.000 0.438 28 L N 2.101 123.274 121.223 -0.082 0.000 2.380 28 L HA 0.235 4.575 4.340 -0.000 0.000 0.273 28 L C -1.115 175.607 176.870 -0.248 0.000 1.138 28 L CA -0.015 54.711 54.840 -0.189 0.000 0.832 28 L CB 0.918 42.862 42.059 -0.192 0.000 1.124 28 L HN 0.259 nan 8.230 nan 0.000 0.454 29 V N 4.534 124.250 119.914 -0.331 0.000 2.495 29 V HA 0.353 4.473 4.120 -0.000 0.000 0.298 29 V C -0.907 174.920 176.094 -0.446 0.000 1.031 29 V CA -0.688 61.425 62.300 -0.311 0.000 0.871 29 V CB 1.473 33.206 31.823 -0.151 0.000 0.988 29 V HN 0.732 nan 8.190 nan 0.000 0.432 30 W N 4.968 126.029 121.300 -0.398 0.000 2.391 30 W HA 0.713 5.373 4.660 -0.000 0.000 0.311 30 W C -0.505 175.959 176.519 -0.091 0.000 1.087 30 W CA -0.501 56.701 57.345 -0.239 0.000 1.209 30 W CB 1.367 30.650 29.460 -0.295 0.000 1.273 30 W HN 0.239 nan 8.180 nan 0.000 0.482 31 I N 5.410 126.141 120.570 0.268 0.000 2.468 31 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 31 I C 0.151 176.455 176.117 0.312 0.000 1.039 31 I CA -1.210 60.242 61.300 0.254 0.000 1.074 31 I CB 1.265 39.399 38.000 0.223 0.000 1.228 31 I HN 0.499 nan 8.210 nan 0.000 0.436 32 L N 6.962 128.394 121.223 0.349 0.000 3.854 32 L HA -0.300 4.040 4.340 -0.000 0.000 0.460 32 L C 1.197 178.264 176.870 0.328 0.000 1.228 32 L CA 0.854 55.887 54.840 0.321 0.000 0.760 32 L CB -1.812 40.401 42.059 0.257 0.000 1.597 32 L HN 1.103 nan 8.230 nan 0.000 0.852 33 G N -0.823 108.218 108.800 0.401 0.000 2.159 33 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 33 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 33 G C 0.163 175.337 174.900 0.457 0.000 0.977 33 G CA 0.621 45.961 45.100 0.401 0.000 0.652 33 G HN 0.483 nan 8.290 nan 0.000 0.531 34 K N 0.660 121.293 120.400 0.388 0.000 2.378 34 K HA 0.449 4.769 4.320 -0.000 0.000 0.252 34 K C 0.297 176.725 176.600 -0.287 0.000 0.931 34 K CA -0.703 55.626 56.287 0.070 0.000 0.794 34 K CB 1.057 33.556 32.500 -0.002 0.000 1.181 34 K HN 0.467 nan 8.250 nan 0.000 0.425 35 Q N 3.248 122.624 119.800 -0.707 0.000 2.222 35 Q HA 0.381 4.721 4.340 -0.000 0.000 0.252 35 Q C -0.865 174.594 176.000 -0.902 0.000 0.926 35 Q CA -0.708 54.433 55.803 -1.104 0.000 0.899 35 Q CB 1.840 29.696 28.738 -1.470 0.000 1.250 35 Q HN 0.489 nan 8.270 nan 0.000 0.441 36 H N 1.741 120.555 119.070 -0.426 0.000 2.771 36 H HA 0.364 4.920 4.556 -0.000 0.000 0.361 36 H C -0.777 174.400 175.328 -0.252 0.000 1.108 36 H CA -0.754 55.136 56.048 -0.264 0.000 1.201 36 H CB 1.613 31.260 29.762 -0.192 0.000 1.681 36 H HN 0.580 nan 8.280 nan 0.000 0.534 37 L N 3.288 124.472 121.223 -0.065 0.000 2.319 37 L HA -0.011 4.329 4.340 -0.000 0.000 0.280 37 L C 1.642 178.476 176.870 -0.059 0.000 1.099 37 L CA -0.362 54.430 54.840 -0.079 0.000 0.828 37 L CB 0.900 42.918 42.059 -0.069 0.000 1.150 37 L HN 0.423 nan 8.230 nan 0.000 0.442 38 L N 4.948 126.130 121.223 -0.068 0.000 2.017 38 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 38 L C 2.544 179.378 176.870 -0.061 0.000 1.073 38 L CA 2.634 57.434 54.840 -0.067 0.000 0.745 38 L CB -0.605 41.417 42.059 -0.061 0.000 0.894 38 L HN 0.761 nan 8.230 nan 0.000 0.432 39 K N -2.248 118.122 120.400 -0.050 0.000 2.121 39 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 39 K C 2.021 178.595 176.600 -0.045 0.000 1.041 39 K CA 1.293 57.553 56.287 -0.045 0.000 0.969 39 K CB -1.569 30.909 32.500 -0.036 0.000 0.799 39 K HN 0.371 nan 8.250 nan 0.000 0.456 40 T N 1.056 115.585 114.554 -0.042 0.000 2.833 40 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 40 T C 0.674 175.350 174.700 -0.040 0.000 1.054 40 T CA 1.633 63.710 62.100 -0.038 0.000 1.135 40 T CB -0.081 68.766 68.868 -0.036 0.000 0.869 40 T HN 0.639 nan 8.240 nan 0.000 0.466 41 E N -0.128 120.047 120.200 -0.042 0.000 2.989 41 E HA 0.211 4.561 4.350 -0.000 0.000 0.207 41 E C 1.218 177.779 176.600 -0.065 0.000 0.989 41 E CA -0.214 56.163 56.400 -0.038 0.000 1.186 41 E CB 0.559 30.256 29.700 -0.005 0.000 1.141 41 E HN 0.251 nan 8.360 nan 0.000 0.454 42 K N 1.077 121.432 120.400 -0.074 0.000 2.032 42 K HA -0.191 4.128 4.320 -0.000 0.000 0.209 42 K C 2.232 178.762 176.600 -0.117 0.000 1.048 42 K CA 1.985 58.215 56.287 -0.096 0.000 0.927 42 K CB 0.020 32.473 32.500 -0.079 0.000 0.712 42 K HN 0.200 nan 8.250 nan 0.000 0.441 43 S N 0.492 116.134 115.700 -0.096 0.000 2.382 43 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 43 S C 1.929 176.457 174.600 -0.121 0.000 1.027 43 S CA 1.272 59.412 58.200 -0.100 0.000 0.991 43 S CB -0.231 62.920 63.200 -0.081 0.000 0.823 43 S HN 0.292 nan 8.310 nan 0.000 0.469 44 K N 0.372 120.704 120.400 -0.113 0.000 2.032 44 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 44 K C 2.183 178.595 176.600 -0.313 0.000 1.048 44 K CA 1.578 57.794 56.287 -0.118 0.000 0.927 44 K CB -0.445 32.051 32.500 -0.007 0.000 0.712 44 K HN 0.413 nan 8.250 nan 0.000 0.441 45 L N 1.274 122.233 121.223 -0.441 0.000 2.027 45 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 45 L C 1.836 178.465 176.870 -0.402 0.000 1.074 45 L CA 1.576 55.991 54.840 -0.709 0.000 0.745 45 L CB -0.362 41.435 42.059 -0.438 0.000 0.898 45 L HN 0.144 nan 8.230 nan 0.000 0.433 46 L N -0.688 120.386 121.223 -0.248 0.000 2.093 46 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 46 L C 2.745 179.534 176.870 -0.136 0.000 1.085 46 L CA 1.423 56.158 54.840 -0.174 0.000 0.755 46 L CB -0.847 41.130 42.059 -0.135 0.000 0.904 46 L HN 0.527 nan 8.230 nan 0.000 0.435 47 S N -0.554 115.068 115.700 -0.131 0.000 2.387 47 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 47 S C 1.747 176.312 174.600 -0.059 0.000 1.026 47 S CA 1.426 59.578 58.200 -0.079 0.000 0.972 47 S CB -0.189 62.953 63.200 -0.095 0.000 0.814 47 S HN 0.405 nan 8.310 nan 0.000 0.477 48 D N 1.266 121.603 120.400 -0.105 0.000 2.117 48 D HA -0.046 4.594 4.640 -0.000 0.000 0.197 48 D C 1.799 178.099 176.300 0.001 0.000 0.987 48 D CA 1.487 55.468 54.000 -0.032 0.000 0.829 48 D CB -0.405 40.373 40.800 -0.037 0.000 0.961 48 D HN 0.573 nan 8.370 nan 0.000 0.460 49 I N -0.139 120.391 120.570 -0.067 0.000 2.252 49 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 49 I C 2.365 178.452 176.117 -0.050 0.000 1.102 49 I CA 0.751 62.014 61.300 -0.062 0.000 1.385 49 I CB -0.206 37.718 38.000 -0.128 0.000 1.064 49 I HN -0.075 nan 8.210 nan 0.000 0.414 50 S N 0.727 116.401 115.700 -0.043 0.000 2.423 50 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 50 S C 2.201 176.852 174.600 0.085 0.000 1.014 50 S CA 1.137 59.331 58.200 -0.010 0.000 0.965 50 S CB -0.248 62.988 63.200 0.061 0.000 0.785 50 S HN 0.529 nan 8.310 nan 0.000 0.495 51 A N 1.355 124.257 122.820 0.137 0.000 2.015 51 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 51 A C 1.137 178.939 177.584 0.363 0.000 1.163 51 A CA 0.771 52.924 52.037 0.193 0.000 0.646 51 A CB -0.207 18.825 19.000 0.052 0.000 0.806 51 A HN 0.237 nan 8.150 nan 0.000 0.448 52 R N -0.085 120.555 120.500 0.232 0.000 2.585 52 R HA 0.271 4.611 4.340 -0.000 0.000 0.275 52 R C -0.309 175.997 176.300 0.010 0.000 1.018 52 R CA -0.224 55.992 56.100 0.192 0.000 1.072 52 R CB -0.486 29.900 30.300 0.144 0.000 0.953 52 R HN 0.406 nan 8.270 nan 0.000 0.419 53 L N 3.421 124.596 121.223 -0.080 0.000 2.462 53 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 53 L C -0.103 176.489 176.870 -0.464 0.000 1.166 53 L CA 0.178 54.744 54.840 -0.456 0.000 0.880 53 L CB 0.260 42.044 42.059 -0.459 0.000 1.142 53 L HN 0.539 nan 8.230 nan 0.000 0.473 54 W N 6.190 127.007 121.300 -0.805 0.000 2.417 54 W HA 0.495 5.155 4.660 -0.000 0.000 0.315 54 W C -1.515 174.569 176.519 -0.724 0.000 1.045 54 W CA -1.140 55.872 57.345 -0.555 0.000 1.221 54 W CB 0.937 30.184 29.460 -0.355 0.000 1.309 54 W HN 0.084 nan 8.180 nan 0.000 0.453 55 F N 4.857 124.634 119.950 -0.288 0.000 2.477 55 F HA 0.476 5.003 4.527 -0.000 0.000 0.335 55 F C 0.811 176.262 175.800 -0.582 0.000 1.130 55 F CA -0.813 56.965 58.000 -0.371 0.000 0.948 55 F CB 1.620 40.493 39.000 -0.211 0.000 1.154 55 F HN 0.231 nan 8.300 nan 0.000 0.439 56 T N -1.038 113.206 114.554 -0.516 0.000 2.938 56 T HA 0.519 4.869 4.350 -0.000 0.000 0.285 56 T C -0.520 174.044 174.700 -0.228 0.000 1.028 56 T CA -0.777 61.003 62.100 -0.534 0.000 1.005 56 T CB 0.786 69.222 68.868 -0.720 0.000 1.157 56 T HN 0.187 nan 8.240 nan 0.000 0.550 57 Y N 1.426 121.581 120.300 -0.241 0.000 2.987 57 Y HA 0.208 4.758 4.550 -0.000 0.000 0.339 57 Y C 1.330 177.173 175.900 -0.095 0.000 1.272 57 Y CA 0.016 58.011 58.100 -0.175 0.000 1.562 57 Y CB 0.045 38.417 38.460 -0.147 0.000 1.253 57 Y HN 0.399 nan 8.280 nan 0.000 0.604 58 R N 2.929 123.545 120.500 0.193 0.000 2.807 58 R HA 0.581 4.921 4.340 -0.000 0.000 0.276 58 R C -0.358 176.023 176.300 0.135 0.000 0.979 58 R CA -1.132 55.110 56.100 0.236 0.000 0.928 58 R CB 2.653 33.208 30.300 0.424 0.000 1.191 58 R HN 0.824 nan 8.270 nan 0.000 0.471 59 R N -0.337 120.190 120.500 0.045 0.000 2.892 59 R HA 0.507 4.847 4.340 -0.000 0.000 0.265 59 R C -0.657 175.573 176.300 -0.117 0.000 1.025 59 R CA -0.861 55.147 56.100 -0.153 0.000 0.982 59 R CB 1.419 31.661 30.300 -0.096 0.000 1.185 59 R HN 0.482 nan 8.270 nan 0.000 0.484 60 K N 0.343 120.583 120.400 -0.266 0.000 3.117 60 K HA -0.185 4.135 4.320 -0.000 0.000 0.269 60 K C -0.806 175.740 176.600 -0.091 0.000 1.098 60 K CA 1.015 57.220 56.287 -0.136 0.000 0.785 60 K CB -1.847 30.660 32.500 0.012 0.000 1.242 60 K HN 0.526 nan 8.250 nan 0.000 0.491 61 F N -1.429 118.445 119.950 -0.126 0.000 2.411 61 F HA 0.573 5.100 4.527 -0.000 0.000 0.324 61 F C 0.867 176.550 175.800 -0.194 0.000 1.086 61 F CA -1.409 56.341 58.000 -0.417 0.000 1.028 61 F CB 0.509 39.241 39.000 -0.447 0.000 1.284 61 F HN -0.181 nan 8.300 nan 0.000 0.501 62 S N 1.952 117.729 115.700 0.129 0.000 2.549 62 S HA 0.189 4.659 4.470 -0.000 0.000 0.286 62 S C -2.403 172.402 174.600 0.341 0.000 1.314 62 S CA -0.629 57.665 58.200 0.157 0.000 1.062 62 S CB -0.152 63.089 63.200 0.068 0.000 0.865 62 S HN 0.378 nan 8.310 nan 0.000 0.498 63 P HA 0.026 nan 4.420 nan 0.000 0.260 63 P C -0.336 177.073 177.300 0.182 0.000 1.172 63 P CA 0.260 63.437 63.100 0.127 0.000 0.760 63 P CB 0.037 31.769 31.700 0.053 0.000 0.773 64 I N 2.636 123.286 120.570 0.133 0.000 2.668 64 I HA 0.040 4.210 4.170 -0.000 0.000 0.285 64 I C 1.602 177.762 176.117 0.072 0.000 1.168 64 I CA 0.738 62.083 61.300 0.075 0.000 1.424 64 I CB -0.478 37.509 38.000 -0.021 0.000 1.377 64 I HN 0.680 nan 8.210 nan 0.000 0.560 65 G N 4.490 113.341 108.800 0.085 0.000 2.203 65 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.263 65 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.263 65 G C 1.031 175.951 174.900 0.033 0.000 1.012 65 G CA 0.500 45.625 45.100 0.042 0.000 0.749 65 G HN 1.486 nan 8.290 nan 0.000 0.512 66 G N -1.801 107.029 108.800 0.051 0.000 2.550 66 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.233 66 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.233 66 G C 1.460 176.374 174.900 0.022 0.000 1.170 66 G CA 1.909 47.029 45.100 0.033 0.000 0.693 66 G HN 2.290 nan 8.290 nan 0.000 0.512 67 T N -1.008 113.553 114.554 0.012 0.000 3.043 67 T HA 0.594 4.944 4.350 -0.000 0.000 0.272 67 T C 1.409 176.104 174.700 -0.007 0.000 0.990 67 T CA 1.114 63.214 62.100 -0.000 0.000 0.897 67 T CB 0.841 69.704 68.868 -0.008 0.000 1.111 67 T HN 1.432 nan 8.240 nan 0.000 0.529 68 G N 2.308 111.108 108.800 0.000 0.000 2.494 68 G HA2 0.562 4.522 3.960 -0.000 0.000 0.270 68 G HA3 0.562 4.522 3.960 -0.000 0.000 0.270 68 G C -2.625 172.280 174.900 0.009 0.000 1.423 68 G CA -1.493 43.598 45.100 -0.014 0.000 1.055 68 G HN 0.199 nan 8.290 nan 0.000 0.536 69 P HA 0.138 nan 4.420 nan 0.000 0.269 69 P C 0.378 177.714 177.300 0.061 0.000 1.209 69 P CA 0.102 63.255 63.100 0.089 0.000 0.776 69 P CB 1.169 33.043 31.700 0.290 0.000 0.876 70 S N -0.661 114.936 115.700 -0.171 0.000 2.593 70 S HA 0.332 4.802 4.470 -0.000 0.000 0.236 70 S C 0.393 174.197 174.600 -1.327 0.000 0.991 70 S CA -0.230 57.617 58.200 -0.588 0.000 0.963 70 S CB -0.139 62.867 63.200 -0.324 0.000 0.865 70 S HN 0.406 nan 8.310 nan 0.000 0.488 71 S N 1.531 116.763 115.700 -0.780 0.000 2.541 71 S HA 0.414 4.884 4.470 -0.000 0.000 0.271 71 S C -1.066 173.465 174.600 -0.115 0.000 1.133 71 S CA -0.491 57.352 58.200 -0.594 0.000 0.876 71 S CB 1.504 64.504 63.200 -0.333 0.000 1.105 71 S HN 0.342 nan 8.310 nan 0.000 0.470 72 D N 2.085 122.354 120.400 -0.218 0.000 2.395 72 D HA 0.211 4.851 4.640 -0.000 0.000 0.213 72 D C 0.690 176.297 176.300 -1.156 0.000 1.110 72 D CA -0.187 53.198 54.000 -1.026 0.000 0.835 72 D CB -0.005 40.123 40.800 -1.119 0.000 0.965 72 D HN 0.573 nan 8.370 nan 0.000 0.505 73 A N 0.608 122.916 122.820 -0.854 0.000 2.566 73 A HA 0.416 4.736 4.320 -0.000 0.000 0.245 73 A C 1.691 178.776 177.584 -0.831 0.000 1.056 73 A CA 0.837 52.130 52.037 -1.239 0.000 0.757 73 A CB -0.538 18.125 19.000 -0.562 0.000 0.979 73 A HN 0.758 nan 8.150 nan 0.000 0.508 74 G N 1.290 109.548 108.800 -0.904 0.000 2.176 74 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.253 74 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.253 74 G C 0.595 175.575 174.900 0.134 0.000 0.979 74 G CA 1.014 46.025 45.100 -0.149 0.000 0.641 74 G HN 1.864 nan 8.290 nan 0.000 0.530 75 W N -2.181 119.114 121.300 -0.008 0.000 2.166 75 W HA 0.366 5.026 4.660 0.000 0.000 0.196 75 W C 1.219 177.867 176.519 0.214 0.000 0.895 75 W CA 0.586 58.016 57.345 0.142 0.000 1.069 75 W CB -0.299 29.193 29.460 0.053 0.000 0.798 75 W HN 0.577 nan 8.180 nan 0.000 0.647 76 G N 2.333 110.974 108.800 -0.266 0.000 3.088 76 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.212 76 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.212 76 G C 1.284 176.135 174.900 -0.081 0.000 1.173 76 G CA 1.137 46.023 45.100 -0.356 0.000 0.779 76 G HN 0.354 nan 8.290 nan 0.000 0.540 77 C N -1.210 118.171 119.300 0.135 0.000 2.425 77 C HA 0.030 4.490 4.460 -0.000 0.000 0.277 77 C C 2.526 177.459 174.990 -0.096 0.000 1.280 77 C CA 1.089 60.049 59.018 -0.097 0.000 1.744 77 C CB -0.826 26.807 27.740 -0.179 0.000 1.989 77 C HN 0.348 nan 8.230 nan 0.000 0.491 78 M N 1.263 120.798 119.600 -0.109 0.000 2.254 78 M HA 0.136 4.616 4.480 -0.000 0.000 0.265 78 M C 2.025 178.182 176.300 -0.239 0.000 1.066 78 M CA 1.544 56.699 55.300 -0.241 0.000 1.123 78 M CB -0.811 31.412 32.600 -0.629 0.000 1.388 78 M HN 0.437 nan 8.290 nan 0.000 0.425 79 L N -0.756 120.299 121.223 -0.280 0.000 2.046 79 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 79 L C 2.540 179.318 176.870 -0.154 0.000 1.077 79 L CA 0.918 55.644 54.840 -0.189 0.000 0.747 79 L CB -0.912 41.041 42.059 -0.175 0.000 0.896 79 L HN 0.213 nan 8.230 nan 0.000 0.432 80 R N -0.163 120.237 120.500 -0.167 0.000 2.081 80 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 80 R C 2.306 178.540 176.300 -0.110 0.000 1.131 80 R CA 1.507 57.522 56.100 -0.141 0.000 0.960 80 R CB -1.468 28.718 30.300 -0.190 0.000 0.856 80 R HN 0.418 nan 8.270 nan 0.000 0.436 81 C N -0.391 118.843 119.300 -0.110 0.000 2.440 81 C HA 0.004 4.464 4.460 -0.000 0.000 0.278 81 C C 2.748 177.625 174.990 -0.188 0.000 1.295 81 C CA 0.672 59.640 59.018 -0.084 0.000 1.738 81 C CB -1.414 26.338 27.740 0.021 0.000 1.987 81 C HN 0.629 nan 8.230 nan 0.000 0.492 82 G N -0.188 108.527 108.800 -0.141 0.000 2.440 82 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 82 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 82 G C 1.540 176.330 174.900 -0.183 0.000 1.154 82 G CA 0.693 45.708 45.100 -0.143 0.000 0.767 82 G HN 0.671 nan 8.290 nan 0.000 0.552 83 Q N -0.499 119.197 119.800 -0.172 0.000 2.077 83 Q HA -0.094 4.246 4.340 -0.000 0.000 0.206 83 Q C 2.729 178.514 176.000 -0.359 0.000 0.989 83 Q CA 1.581 57.234 55.803 -0.251 0.000 0.853 83 Q CB -0.249 28.228 28.738 -0.435 0.000 0.907 83 Q HN 0.487 nan 8.270 nan 0.000 0.418 84 M N -0.324 119.142 119.600 -0.225 0.000 2.117 84 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 84 M C 2.368 178.296 176.300 -0.620 0.000 1.065 84 M CA 1.308 56.426 55.300 -0.303 0.000 1.114 84 M CB -0.288 32.135 32.600 -0.294 0.000 1.361 84 M HN 0.347 nan 8.290 nan 0.000 0.408 85 M N 0.307 119.408 119.600 -0.833 0.000 2.132 85 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 85 M C 2.063 178.216 176.300 -0.245 0.000 1.065 85 M CA 1.557 56.510 55.300 -0.579 0.000 1.122 85 M CB -0.089 32.296 32.600 -0.358 0.000 1.365 85 M HN 0.265 nan 8.290 nan 0.000 0.411 86 L N 0.939 122.027 121.223 -0.226 0.000 2.056 86 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 86 L C 2.461 179.275 176.870 -0.094 0.000 1.078 86 L CA 2.175 56.921 54.840 -0.156 0.000 0.749 86 L CB -1.020 40.931 42.059 -0.180 0.000 0.901 86 L HN 0.336 nan 8.230 nan 0.000 0.433 87 A N -0.962 121.754 122.820 -0.174 0.000 1.902 87 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 87 A C 2.260 179.796 177.584 -0.080 0.000 1.181 87 A CA 1.682 53.626 52.037 -0.155 0.000 0.623 87 A CB -0.728 18.009 19.000 -0.438 0.000 0.818 87 A HN 0.579 nan 8.150 nan 0.000 0.443 88 Q N 0.161 119.916 119.800 -0.074 0.000 2.096 88 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 88 Q C 2.005 177.941 176.000 -0.106 0.000 0.982 88 Q CA 2.373 58.178 55.803 0.003 0.000 0.850 88 Q CB -0.683 28.140 28.738 0.140 0.000 0.901 88 Q HN 0.552 nan 8.270 nan 0.000 0.422 89 A N 0.160 122.862 122.820 -0.196 0.000 1.902 89 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 89 A C 2.149 179.332 177.584 -0.668 0.000 1.181 89 A CA 1.573 53.303 52.037 -0.512 0.000 0.623 89 A CB -0.799 17.986 19.000 -0.358 0.000 0.818 89 A HN 0.459 nan 8.150 nan 0.000 0.443 90 L N -0.334 120.704 121.223 -0.308 0.000 2.056 90 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 90 L C 2.452 179.258 176.870 -0.106 0.000 1.078 90 L CA 0.664 55.401 54.840 -0.171 0.000 0.749 90 L CB -0.616 41.471 42.059 0.047 0.000 0.901 90 L HN 0.300 nan 8.230 nan 0.000 0.433 91 I N 0.021 120.529 120.570 -0.103 0.000 2.118 91 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 91 I C 2.736 178.797 176.117 -0.094 0.000 1.070 91 I CA 1.574 62.799 61.300 -0.125 0.000 1.327 91 I CB -1.202 36.729 38.000 -0.114 0.000 1.034 91 I HN 0.427 nan 8.210 nan 0.000 0.405 92 C N 0.286 119.506 119.300 -0.133 0.000 2.429 92 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 92 C C 3.008 177.974 174.990 -0.039 0.000 1.262 92 C CA 0.466 59.452 59.018 -0.052 0.000 1.733 92 C CB -1.057 26.666 27.740 -0.028 0.000 2.010 92 C HN 0.463 nan 8.230 nan 0.000 0.483 93 R N 0.073 120.389 120.500 -0.307 0.000 2.091 93 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 93 R C 2.014 178.184 176.300 -0.216 0.000 1.136 93 R CA 1.675 57.680 56.100 -0.158 0.000 0.959 93 R CB -0.433 29.631 30.300 -0.392 0.000 0.856 93 R HN 0.663 nan 8.270 nan 0.000 0.437 94 H N -0.897 118.140 119.070 -0.056 0.000 2.439 94 H HA 0.103 4.659 4.556 -0.000 0.000 0.299 94 H C 1.864 177.208 175.328 0.027 0.000 1.033 94 H CA 0.907 56.946 56.048 -0.015 0.000 1.348 94 H CB 0.379 30.125 29.762 -0.028 0.000 1.449 94 H HN 0.169 nan 8.280 nan 0.000 0.544 95 L N -0.561 120.725 121.223 0.104 0.000 2.609 95 L HA 0.308 4.648 4.340 -0.000 0.000 0.230 95 L C 0.683 177.662 176.870 0.181 0.000 1.087 95 L CA 0.299 55.190 54.840 0.084 0.000 0.874 95 L CB 0.732 42.666 42.059 -0.209 0.000 1.114 95 L HN 0.262 nan 8.230 nan 0.000 0.488 96 G N 0.905 109.802 108.800 0.162 0.000 2.712 96 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.686 96 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.686 96 G C 0.083 175.133 174.900 0.250 0.000 1.321 96 G CA -0.036 45.185 45.100 0.202 0.000 0.813 96 G HN 0.137 nan 8.290 nan 0.000 0.599 97 R N 0.189 120.830 120.500 0.234 0.000 2.120 97 R HA -0.005 4.335 4.340 -0.000 0.000 0.234 97 R C 1.782 178.237 176.300 0.259 0.000 1.123 97 R CA 2.420 58.669 56.100 0.247 0.000 0.975 97 R CB -0.297 30.136 30.300 0.221 0.000 0.866 97 R HN 0.551 nan 8.270 nan 0.000 0.446 98 D N -1.024 119.513 120.400 0.229 0.000 2.363 98 D HA -0.081 4.559 4.640 -0.000 0.000 0.226 98 D C -0.251 176.174 176.300 0.209 0.000 1.020 98 D CA 0.175 54.286 54.000 0.185 0.000 0.892 98 D CB -0.359 40.521 40.800 0.134 0.000 0.900 98 D HN 0.264 nan 8.370 nan 0.000 0.531 99 W N 2.028 123.391 121.300 0.105 0.000 2.295 99 W HA 0.105 4.765 4.660 -0.000 0.000 0.335 99 W C 0.300 176.881 176.519 0.104 0.000 1.351 99 W CA 0.229 57.635 57.345 0.102 0.000 1.273 99 W CB 0.521 30.057 29.460 0.126 0.000 1.214 99 W HN -0.328 nan 8.180 nan 0.000 0.563 100 S N 5.412 120.663 115.700 -0.748 0.000 2.600 100 S HA 0.608 5.078 4.470 -0.000 0.000 0.300 100 S C -1.242 172.536 174.600 -1.370 0.000 1.087 100 S CA -0.782 56.871 58.200 -0.912 0.000 0.965 100 S CB 0.513 63.475 63.200 -0.398 0.000 1.089 100 S HN 0.614 nan 8.310 nan 0.000 0.496 106 E N 3.751 123.927 120.200 -0.039 0.000 2.376 106 E HA 0.060 4.410 4.350 -0.000 0.000 0.266 106 E C -0.690 175.943 176.600 0.055 0.000 1.009 106 E CA -0.219 56.193 56.400 0.020 0.000 0.902 106 E CB 0.886 30.602 29.700 0.026 0.000 0.972 106 E HN 0.190 nan 8.360 nan 0.000 0.439 107 Q N 3.198 123.067 119.800 0.115 0.000 2.266 107 Q HA 0.388 4.728 4.340 -0.000 0.000 0.261 107 Q C -2.167 173.956 176.000 0.205 0.000 0.985 107 Q CA -2.175 53.740 55.803 0.186 0.000 0.873 107 Q CB 1.273 30.140 28.738 0.214 0.000 1.306 107 Q HN 0.575 nan 8.270 nan 0.000 0.447 108 P HA 0.020 nan 4.420 nan 0.000 0.269 108 P C 0.555 177.963 177.300 0.181 0.000 1.215 108 P CA -0.108 63.099 63.100 0.178 0.000 0.780 108 P CB 0.649 32.457 31.700 0.180 0.000 0.898 109 K N 1.255 121.725 120.400 0.117 0.000 2.160 109 K HA -0.251 4.069 4.320 -0.000 0.000 0.206 109 K C 1.022 177.645 176.600 0.039 0.000 1.047 109 K CA 1.708 58.033 56.287 0.064 0.000 0.930 109 K CB -0.323 32.185 32.500 0.012 0.000 0.720 109 K HN 0.241 nan 8.250 nan 0.000 0.450 110 E N 0.443 120.693 120.200 0.084 0.000 2.153 110 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 110 E C 1.710 178.373 176.600 0.105 0.000 0.988 110 E CA 1.229 57.687 56.400 0.096 0.000 0.811 110 E CB -0.384 29.400 29.700 0.140 0.000 0.746 110 E HN 0.499 nan 8.360 nan 0.000 0.466 111 Y N 1.502 121.807 120.300 0.010 0.000 2.070 111 Y HA -0.279 4.271 4.550 -0.000 0.000 0.280 111 Y C 2.105 178.028 175.900 0.039 0.000 1.148 111 Y CA 1.815 59.909 58.100 -0.010 0.000 1.125 111 Y CB -0.178 38.324 38.460 0.069 0.000 0.975 111 Y HN -0.031 nan 8.280 nan 0.000 0.492 112 Q N 0.371 120.083 119.800 -0.147 0.000 2.124 112 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 112 Q C 2.497 178.374 176.000 -0.205 0.000 0.977 112 Q CA 1.776 57.440 55.803 -0.232 0.000 0.850 112 Q CB -0.441 28.270 28.738 -0.044 0.000 0.901 112 Q HN 0.545 nan 8.270 nan 0.000 0.429 113 R N 0.324 120.719 120.500 -0.174 0.000 2.081 113 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 113 R C 2.291 178.540 176.300 -0.084 0.000 1.131 113 R CA 1.002 56.954 56.100 -0.247 0.000 0.960 113 R CB -0.175 29.799 30.300 -0.544 0.000 0.856 113 R HN 0.192 nan 8.270 nan 0.000 0.436 114 I N 0.530 121.138 120.570 0.063 0.000 2.142 114 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 114 I C 2.287 178.514 176.117 0.184 0.000 1.078 114 I CA 0.772 62.200 61.300 0.215 0.000 1.343 114 I CB -0.356 37.752 38.000 0.180 0.000 1.046 114 I HN 0.234 nan 8.210 nan 0.000 0.405 115 L N 0.770 121.960 121.223 -0.056 0.000 2.043 115 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 115 L C 2.383 179.242 176.870 -0.018 0.000 1.075 115 L CA 1.939 56.734 54.840 -0.076 0.000 0.752 115 L CB -0.807 40.985 42.059 -0.445 0.000 0.891 115 L HN 0.280 nan 8.230 nan 0.000 0.432 116 Q N -1.882 117.857 119.800 -0.102 0.000 2.369 116 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 116 Q C 2.265 178.193 176.000 -0.120 0.000 0.963 116 Q CA 1.186 56.920 55.803 -0.114 0.000 0.894 116 Q CB -0.287 28.371 28.738 -0.132 0.000 0.965 116 Q HN 0.603 nan 8.270 nan 0.000 0.475 117 C N -0.337 118.880 119.300 -0.138 0.000 2.419 117 C HA -0.092 4.368 4.460 -0.000 0.000 0.283 117 C C 1.485 176.173 174.990 -0.504 0.000 1.373 117 C CA 0.585 59.391 59.018 -0.352 0.000 1.781 117 C CB -0.848 26.648 27.740 -0.406 0.000 1.886 117 C HN 0.427 nan 8.230 nan 0.000 0.520 118 F N -0.237 119.629 119.950 -0.140 0.000 2.653 118 F HA 0.350 4.877 4.527 -0.000 0.000 0.304 118 F C 0.886 176.558 175.800 -0.213 0.000 1.092 118 F CA -0.227 57.594 58.000 -0.298 0.000 1.279 118 F CB -0.296 38.256 39.000 -0.747 0.000 1.044 118 F HN -0.017 nan 8.300 nan 0.000 0.564 119 L N 0.733 121.967 121.223 0.019 0.000 2.467 119 L HA 0.052 4.392 4.340 -0.000 0.000 0.270 119 L C -0.049 176.892 176.870 0.119 0.000 1.205 119 L CA 0.011 54.922 54.840 0.119 0.000 0.828 119 L CB 0.340 42.456 42.059 0.095 0.000 1.101 119 L HN 0.069 nan 8.230 nan 0.000 0.479 120 D N 2.365 122.935 120.400 0.283 0.000 2.688 120 D HA 0.191 4.831 4.640 -0.000 0.000 0.228 120 D C -0.544 175.640 176.300 -0.193 0.000 1.116 120 D CA 0.030 54.041 54.000 0.020 0.000 1.023 120 D CB 0.034 40.777 40.800 -0.096 0.000 1.100 120 D HN 0.308 nan 8.370 nan 0.000 0.487 121 R N 0.528 120.843 120.500 -0.310 0.000 2.651 121 R HA 0.275 4.615 4.340 -0.000 0.000 0.278 121 R C 0.734 176.678 176.300 -0.593 0.000 1.010 121 R CA -1.042 54.737 56.100 -0.534 0.000 0.896 121 R CB 1.382 31.579 30.300 -0.172 0.000 1.211 121 R HN 0.024 nan 8.270 nan 0.000 0.456 122 K N 0.502 120.495 120.400 -0.679 0.000 2.211 122 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 122 K C 0.513 176.978 176.600 -0.225 0.000 1.047 122 K CA 1.981 58.045 56.287 -0.372 0.000 0.935 122 K CB -0.031 32.334 32.500 -0.225 0.000 0.728 122 K HN 0.632 nan 8.250 nan 0.000 0.452 123 D N 0.569 120.848 120.400 -0.201 0.000 2.349 123 D HA -0.022 4.618 4.640 -0.000 0.000 0.224 123 D C -0.207 175.993 176.300 -0.167 0.000 1.029 123 D CA -0.296 53.614 54.000 -0.150 0.000 0.879 123 D CB -0.449 40.284 40.800 -0.112 0.000 0.906 123 D HN 0.143 nan 8.370 nan 0.000 0.528 124 C N 1.370 120.552 119.300 -0.198 0.000 2.307 124 C HA 0.255 4.715 4.460 -0.000 0.000 0.340 124 C C 2.281 177.089 174.990 -0.302 0.000 1.275 124 C CA -0.989 57.892 59.018 -0.228 0.000 1.811 124 C CB 0.361 27.986 27.740 -0.191 0.000 2.372 124 C HN 0.612 nan 8.230 nan 0.000 0.531 125 C N 1.031 120.081 119.300 -0.417 0.000 2.422 125 C HA -0.080 4.380 4.460 -0.000 0.000 0.279 125 C C 1.232 175.844 174.990 -0.629 0.000 1.305 125 C CA 0.708 59.390 59.018 -0.559 0.000 1.757 125 C CB -1.524 25.799 27.740 -0.694 0.000 1.962 125 C HN 0.838 nan 8.230 nan 0.000 0.499 126 Y N 2.922 122.981 120.300 -0.401 0.000 2.720 126 Y HA 0.339 4.889 4.550 -0.000 0.000 0.277 126 Y C 1.394 177.099 175.900 -0.325 0.000 1.144 126 Y CA -0.568 57.268 58.100 -0.441 0.000 1.221 126 Y CB -0.902 37.064 38.460 -0.823 0.000 1.163 126 Y HN 0.403 nan 8.280 nan 0.000 0.537 127 S N -0.887 114.721 115.700 -0.153 0.000 2.589 127 S HA 0.034 4.504 4.470 -0.000 0.000 0.265 127 S C 1.445 176.005 174.600 -0.066 0.000 1.342 127 S CA -0.567 57.573 58.200 -0.100 0.000 1.005 127 S CB 1.005 64.144 63.200 -0.101 0.000 0.909 127 S HN 0.313 nan 8.310 nan 0.000 0.555 128 I N 1.311 121.818 120.570 -0.105 0.000 2.264 128 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 128 I C 2.028 178.073 176.117 -0.119 0.000 1.111 128 I CA 1.887 63.087 61.300 -0.167 0.000 1.382 128 I CB -0.687 37.090 38.000 -0.372 0.000 1.060 128 I HN 0.816 nan 8.210 nan 0.000 0.418 129 H N 0.115 119.059 119.070 -0.210 0.000 2.290 129 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 129 H C 2.222 177.492 175.328 -0.096 0.000 1.087 129 H CA 1.923 57.897 56.048 -0.125 0.000 1.291 129 H CB -0.438 29.233 29.762 -0.151 0.000 1.369 129 H HN 0.361 nan 8.280 nan 0.000 0.492 130 Q N -0.099 119.701 119.800 -0.001 0.000 2.119 130 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 130 Q C 2.458 178.414 176.000 -0.072 0.000 0.972 130 Q CA 1.089 56.831 55.803 -0.101 0.000 0.847 130 Q CB -0.213 28.405 28.738 -0.200 0.000 0.903 130 Q HN 0.556 nan 8.270 nan 0.000 0.433 131 M N -0.057 119.530 119.600 -0.022 0.000 2.086 131 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 131 M C 2.316 178.678 176.300 0.103 0.000 1.067 131 M CA 1.622 56.942 55.300 0.034 0.000 1.116 131 M CB -0.465 32.156 32.600 0.035 0.000 1.348 131 M HN 0.161 nan 8.290 nan 0.000 0.407 132 A N -0.314 122.573 122.820 0.112 0.000 1.902 132 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 132 A C 1.996 179.630 177.584 0.083 0.000 1.181 132 A CA 1.860 53.994 52.037 0.161 0.000 0.623 132 A CB -0.735 18.373 19.000 0.180 0.000 0.818 132 A HN 0.435 nan 8.150 nan 0.000 0.443 133 Q N -1.409 118.405 119.800 0.025 0.000 2.084 133 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 133 Q C 1.980 177.961 176.000 -0.031 0.000 0.978 133 Q CA 2.097 57.892 55.803 -0.015 0.000 0.844 133 Q CB -0.377 28.336 28.738 -0.042 0.000 0.898 133 Q HN 0.537 nan 8.270 nan 0.000 0.426 134 M N -0.843 118.732 119.600 -0.042 0.000 2.213 134 M HA 0.030 4.510 4.480 -0.000 0.000 0.263 134 M C 1.723 177.988 176.300 -0.059 0.000 1.062 134 M CA 1.741 57.007 55.300 -0.058 0.000 1.105 134 M CB -0.766 31.793 32.600 -0.069 0.000 1.385 134 M HN 0.277 nan 8.290 nan 0.000 0.417 135 G N -1.168 107.623 108.800 -0.015 0.000 2.432 135 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.219 135 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.219 135 G C 1.461 176.291 174.900 -0.117 0.000 1.135 135 G CA 1.041 46.073 45.100 -0.114 0.000 0.767 135 G HN 0.399 nan 8.290 nan 0.000 0.550 136 V N 1.560 121.447 119.914 -0.045 0.000 2.332 136 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 136 V C 3.084 179.139 176.094 -0.066 0.000 1.055 136 V CA 2.003 64.274 62.300 -0.048 0.000 1.038 136 V CB -1.030 30.773 31.823 -0.033 0.000 0.651 136 V HN 0.440 nan 8.190 nan 0.000 0.450 137 G N -0.484 108.275 108.800 -0.068 0.000 2.535 137 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 137 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 137 G C 1.193 176.038 174.900 -0.091 0.000 1.122 137 G CA 0.355 45.416 45.100 -0.065 0.000 0.769 137 G HN 0.530 nan 8.290 nan 0.000 0.549 138 E N 0.113 120.229 120.200 -0.140 0.000 2.444 138 E HA 0.189 4.539 4.350 -0.000 0.000 0.191 138 E C 1.575 178.081 176.600 -0.157 0.000 1.041 138 E CA 0.359 56.653 56.400 -0.177 0.000 0.883 138 E CB 0.019 29.541 29.700 -0.298 0.000 1.024 138 E HN 0.369 nan 8.360 nan 0.000 0.470 139 G N 2.068 110.801 108.800 -0.112 0.000 2.160 139 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 139 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 139 G C -0.065 174.794 174.900 -0.068 0.000 1.022 139 G CA -0.029 45.024 45.100 -0.077 0.000 0.741 139 G HN -0.011 nan 8.290 nan 0.000 0.508 140 K N 0.937 121.286 120.400 -0.084 0.000 2.450 140 K HA 0.533 4.852 4.320 -0.000 0.000 0.257 140 K C 0.296 176.908 176.600 0.020 0.000 0.953 140 K CA -0.546 55.733 56.287 -0.012 0.000 0.844 140 K CB 1.667 34.157 32.500 -0.016 0.000 1.103 140 K HN 0.150 nan 8.250 nan 0.000 0.429 141 S N 2.323 118.026 115.700 0.005 0.000 2.563 141 S HA 0.102 4.572 4.470 -0.000 0.000 0.284 141 S C 0.926 175.481 174.600 -0.075 0.000 1.331 141 S CA -0.378 57.798 58.200 -0.040 0.000 1.047 141 S CB 0.181 63.344 63.200 -0.061 0.000 0.859 141 S HN 0.374 nan 8.310 nan 0.000 0.514 142 I N 2.520 123.019 120.570 -0.119 0.000 2.821 142 I HA 0.131 4.301 4.170 -0.000 0.000 0.294 142 I C 1.454 177.268 176.117 -0.505 0.000 1.210 142 I CA 1.126 62.292 61.300 -0.222 0.000 1.430 142 I CB -0.224 37.679 38.000 -0.160 0.000 1.356 142 I HN 0.986 nan 8.210 nan 0.000 0.563 143 G N 3.993 112.186 108.800 -1.011 0.000 2.195 143 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.224 143 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.224 143 G C 0.125 174.539 174.900 -0.810 0.000 0.990 143 G CA -0.517 43.537 45.100 -1.744 0.000 0.639 143 G HN 0.605 nan 8.290 nan 0.000 0.514 144 E N -0.577 119.439 120.200 -0.306 0.000 2.313 144 E HA 0.358 4.708 4.350 -0.000 0.000 0.276 144 E C -0.226 176.445 176.600 0.118 0.000 1.031 144 E CA -0.886 55.523 56.400 0.016 0.000 0.857 144 E CB 0.829 30.610 29.700 0.135 0.000 1.040 144 E HN 0.332 nan 8.360 nan 0.000 0.408 145 W N 5.255 126.583 121.300 0.046 0.000 2.238 145 W HA 0.233 4.893 4.660 -0.000 0.000 0.321 145 W C -0.902 175.620 176.519 0.006 0.000 1.293 145 W CA -0.228 57.097 57.345 -0.032 0.000 1.204 145 W CB 0.267 29.760 29.460 0.055 0.000 1.167 145 W HN 0.379 nan 8.180 nan 0.000 0.553 146 F N 3.823 123.476 119.950 -0.495 0.000 2.664 146 F HA 0.898 5.425 4.527 -0.000 0.000 0.317 146 F C 0.254 175.410 175.800 -1.073 0.000 1.108 146 F CA -1.778 55.935 58.000 -0.479 0.000 0.957 146 F CB 0.147 39.030 39.000 -0.194 0.000 1.365 146 F HN 0.465 nan 8.300 nan 0.000 0.475 147 G N -0.370 108.300 108.800 -0.217 0.000 2.525 147 G HA2 0.511 4.471 3.960 -0.000 0.000 0.287 147 G HA3 0.511 4.471 3.960 -0.000 0.000 0.287 147 G C -2.333 172.542 174.900 -0.041 0.000 1.350 147 G CA -1.756 43.232 45.100 -0.187 0.000 1.039 147 G HN 0.452 nan 8.290 nan 0.000 0.513 148 P HA -0.106 nan 4.420 nan 0.000 0.216 148 P C 1.242 178.561 177.300 0.031 0.000 1.150 148 P CA 1.163 64.293 63.100 0.050 0.000 0.837 148 P CB 0.076 31.836 31.700 0.100 0.000 0.786 149 N N -1.375 117.339 118.700 0.024 0.000 2.166 149 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 149 N C 1.522 177.001 175.510 -0.051 0.000 1.019 149 N CA 1.630 54.675 53.050 -0.008 0.000 0.856 149 N CB -1.383 37.103 38.487 -0.002 0.000 0.993 149 N HN 0.159 nan 8.380 nan 0.000 0.426 150 T N -0.287 114.225 114.554 -0.070 0.000 2.894 150 T HA 0.013 4.363 4.350 -0.000 0.000 0.258 150 T C 2.015 176.624 174.700 -0.151 0.000 1.043 150 T CA 0.376 62.346 62.100 -0.216 0.000 1.141 150 T CB -0.467 68.115 68.868 -0.475 0.000 0.873 150 T HN 0.022 nan 8.240 nan 0.000 0.449 151 V N 1.695 121.648 119.914 0.064 0.000 2.427 151 V HA -0.083 4.037 4.120 -0.000 0.000 0.248 151 V C 2.689 178.793 176.094 0.016 0.000 1.051 151 V CA 1.786 64.162 62.300 0.126 0.000 1.048 151 V CB -0.987 30.909 31.823 0.122 0.000 0.666 151 V HN 0.505 nan 8.190 nan 0.000 0.456 152 A N -0.833 121.981 122.820 -0.010 0.000 1.908 152 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 152 A C 2.098 179.653 177.584 -0.048 0.000 1.181 152 A CA 1.934 53.954 52.037 -0.029 0.000 0.627 152 A CB -0.511 18.470 19.000 -0.031 0.000 0.818 152 A HN 0.605 nan 8.150 nan 0.000 0.445 153 Q N -0.394 119.364 119.800 -0.069 0.000 2.119 153 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 153 Q C 2.347 178.310 176.000 -0.063 0.000 0.972 153 Q CA 1.423 57.178 55.803 -0.080 0.000 0.847 153 Q CB -0.865 27.807 28.738 -0.109 0.000 0.903 153 Q HN 0.490 nan 8.270 nan 0.000 0.433 154 V N 1.486 121.362 119.914 -0.063 0.000 2.287 154 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 154 V C 2.449 178.544 176.094 0.002 0.000 1.053 154 V CA 1.556 63.840 62.300 -0.026 0.000 1.027 154 V CB -0.660 31.177 31.823 0.023 0.000 0.646 154 V HN 0.260 nan 8.190 nan 0.000 0.447 155 L N -0.334 120.885 121.223 -0.006 0.000 2.046 155 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 155 L C 2.585 179.461 176.870 0.011 0.000 1.077 155 L CA 1.951 56.782 54.840 -0.015 0.000 0.747 155 L CB -0.681 41.344 42.059 -0.055 0.000 0.896 155 L HN 0.313 nan 8.230 nan 0.000 0.432 156 K N 0.719 121.117 120.400 -0.004 0.000 2.032 156 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 156 K C 2.136 178.761 176.600 0.042 0.000 1.048 156 K CA 1.639 57.927 56.287 0.002 0.000 0.927 156 K CB 0.056 32.536 32.500 -0.033 0.000 0.712 156 K HN 0.220 nan 8.250 nan 0.000 0.441 157 K N 0.353 120.783 120.400 0.050 0.000 2.103 157 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 157 K C 2.166 178.896 176.600 0.218 0.000 1.052 157 K CA 0.985 57.337 56.287 0.109 0.000 0.945 157 K CB -0.034 32.510 32.500 0.073 0.000 0.722 157 K HN 0.168 nan 8.250 nan 0.000 0.443 158 L N 0.613 121.930 121.223 0.158 0.000 2.141 158 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 158 L C 2.485 179.569 176.870 0.357 0.000 1.094 158 L CA 0.774 55.731 54.840 0.195 0.000 0.763 158 L CB -0.534 41.635 42.059 0.183 0.000 0.908 158 L HN 0.198 nan 8.230 nan 0.000 0.437 159 A N 0.172 123.177 122.820 0.308 0.000 2.076 159 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 159 A C 2.158 179.849 177.584 0.179 0.000 1.160 159 A CA 1.288 53.484 52.037 0.264 0.000 0.653 159 A CB -0.647 18.435 19.000 0.137 0.000 0.801 159 A HN 0.427 nan 8.150 nan 0.000 0.455 160 L N -2.368 118.962 121.223 0.177 0.000 2.362 160 L HA -0.071 4.269 4.340 -0.000 0.000 0.219 160 L C 1.620 178.446 176.870 -0.072 0.000 1.134 160 L CA 0.771 55.629 54.840 0.029 0.000 0.807 160 L CB -0.341 41.695 42.059 -0.037 0.000 0.927 160 L HN 0.425 nan 8.230 nan 0.000 0.447 161 F N -1.336 118.587 119.950 -0.045 0.000 2.727 161 F HA 0.085 4.612 4.527 -0.000 0.000 0.302 161 F C 0.778 176.507 175.800 -0.118 0.000 1.097 161 F CA -0.237 57.710 58.000 -0.089 0.000 1.330 161 F CB 0.332 39.257 39.000 -0.125 0.000 1.084 161 F HN -0.062 nan 8.300 nan 0.000 0.578 162 D N 0.578 121.016 120.400 0.063 0.000 2.477 162 D HA 0.088 4.728 4.640 -0.000 0.000 0.239 162 D C 0.928 177.271 176.300 0.072 0.000 1.102 162 D CA 0.065 54.083 54.000 0.029 0.000 0.901 162 D CB 0.567 41.390 40.800 0.039 0.000 1.026 162 D HN 0.087 nan 8.370 nan 0.000 0.515 163 E N 2.061 122.302 120.200 0.068 0.000 2.285 163 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 163 E C 1.309 178.004 176.600 0.158 0.000 0.997 163 E CA 0.183 56.627 56.400 0.073 0.000 0.845 163 E CB 0.161 29.885 29.700 0.041 0.000 0.782 163 E HN 0.610 nan 8.360 nan 0.000 0.491 164 W N 2.898 124.199 121.300 0.003 0.000 2.332 164 W HA -0.190 4.470 4.660 -0.000 0.000 0.321 164 W C 1.494 178.069 176.519 0.094 0.000 1.219 164 W CA 1.951 59.316 57.345 0.034 0.000 1.277 164 W CB -0.704 28.761 29.460 0.007 0.000 1.161 164 W HN 0.002 nan 8.180 nan 0.000 0.476 165 N N -0.567 118.100 118.700 -0.054 0.000 2.290 165 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 165 N C 0.641 176.105 175.510 -0.077 0.000 1.016 165 N CA 1.514 54.441 53.050 -0.205 0.000 0.871 165 N CB -0.385 38.029 38.487 -0.122 0.000 0.987 165 N HN -0.059 nan 8.380 nan 0.000 0.431 166 S N 0.092 115.793 115.700 0.001 0.000 3.524 166 S HA -0.150 4.320 4.470 -0.000 0.000 0.377 166 S C -0.229 174.355 174.600 -0.026 0.000 0.949 166 S CA -0.051 58.145 58.200 -0.006 0.000 1.264 166 S CB -1.471 61.722 63.200 -0.012 0.000 0.918 166 S HN 0.216 nan 8.310 nan 0.000 0.517 167 L N 1.584 122.806 121.223 -0.001 0.000 2.397 167 L HA 0.532 4.872 4.340 -0.000 0.000 0.271 167 L C 0.870 177.717 176.870 -0.039 0.000 1.148 167 L CA -0.115 54.721 54.840 -0.007 0.000 0.825 167 L CB 0.866 42.944 42.059 0.031 0.000 1.117 167 L HN 0.500 nan 8.230 nan 0.000 0.456 168 A N 3.836 126.601 122.820 -0.092 0.000 2.401 168 A HA 0.545 4.865 4.320 -0.000 0.000 0.259 168 A C -0.396 177.154 177.584 -0.057 0.000 1.103 168 A CA -0.310 51.655 52.037 -0.120 0.000 0.789 168 A CB 0.544 19.393 19.000 -0.252 0.000 1.035 168 A HN 0.439 nan 8.150 nan 0.000 0.491 169 V N 3.138 123.033 119.914 -0.031 0.000 2.483 169 V HA 0.296 4.416 4.120 -0.000 0.000 0.297 169 V C -1.039 175.071 176.094 0.027 0.000 1.027 169 V CA -0.372 61.929 62.300 0.002 0.000 0.855 169 V CB 1.139 32.959 31.823 -0.005 0.000 0.995 169 V HN 0.809 nan 8.190 nan 0.000 0.424 170 Y N 4.812 125.060 120.300 -0.086 0.000 2.335 170 Y HA 0.721 5.271 4.550 -0.000 0.000 0.338 170 Y C -0.563 175.309 175.900 -0.048 0.000 0.977 170 Y CA -0.632 57.421 58.100 -0.078 0.000 1.114 170 Y CB 1.820 40.215 38.460 -0.109 0.000 1.182 170 Y HN 0.408 nan 8.280 nan 0.000 0.463 171 V N 6.440 126.055 119.914 -0.498 0.000 2.378 171 V HA 0.289 4.409 4.120 -0.000 0.000 0.288 171 V C -0.308 175.468 176.094 -0.530 0.000 1.016 171 V CA -0.848 61.251 62.300 -0.335 0.000 0.840 171 V CB 1.276 32.981 31.823 -0.198 0.000 0.994 171 V HN 0.897 nan 8.190 nan 0.000 0.431 172 S N 6.059 121.607 115.700 -0.254 0.000 2.572 172 S HA 0.615 5.085 4.470 -0.000 0.000 0.279 172 S C -0.358 174.195 174.600 -0.079 0.000 1.341 172 S CA -0.415 57.729 58.200 -0.093 0.000 1.043 172 S CB 0.768 64.064 63.200 0.160 0.000 0.887 172 S HN 0.617 nan 8.310 nan 0.000 0.516 173 M N 1.520 121.098 119.600 -0.037 0.000 2.578 173 M HA 0.319 4.799 4.480 -0.000 0.000 0.321 173 M C -0.425 175.895 176.300 0.033 0.000 1.182 173 M CA -0.371 54.921 55.300 -0.013 0.000 0.965 173 M CB 1.256 33.842 32.600 -0.023 0.000 1.694 173 M HN 0.819 nan 8.290 nan 0.000 0.461 174 D N 2.212 122.634 120.400 0.037 0.000 2.701 174 D HA -0.198 4.442 4.640 -0.000 0.000 0.235 174 D C -0.459 175.890 176.300 0.081 0.000 1.155 174 D CA 0.785 54.818 54.000 0.055 0.000 0.649 174 D CB -1.476 39.356 40.800 0.053 0.000 1.050 174 D HN 0.853 nan 8.370 nan 0.000 0.425 175 N N -1.919 116.836 118.700 0.091 0.000 2.714 175 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 175 N C -0.592 175.046 175.510 0.213 0.000 1.117 175 N CA 1.651 54.787 53.050 0.142 0.000 0.719 175 N CB -1.681 36.885 38.487 0.132 0.000 1.081 175 N HN 0.404 nan 8.380 nan 0.000 0.557 176 T N 0.125 114.791 114.554 0.187 0.000 2.881 176 T HA 0.489 4.839 4.350 -0.000 0.000 0.291 176 T C 0.149 175.015 174.700 0.277 0.000 0.990 176 T CA -0.517 61.714 62.100 0.217 0.000 0.976 176 T CB 2.620 71.565 68.868 0.128 0.000 0.970 176 T HN -0.091 nan 8.240 nan 0.000 0.438 177 V N 3.994 124.121 119.914 0.355 0.000 2.407 177 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 177 V C 0.014 176.271 176.094 0.270 0.000 1.037 177 V CA -0.690 61.842 62.300 0.386 0.000 0.900 177 V CB 1.490 33.601 31.823 0.479 0.000 0.983 177 V HN 0.718 nan 8.190 nan 0.000 0.459 178 V N 6.181 126.227 119.914 0.221 0.000 2.347 178 V HA 0.298 4.418 4.120 -0.000 0.000 0.280 178 V C 1.227 177.392 176.094 0.119 0.000 1.021 178 V CA -0.417 61.982 62.300 0.164 0.000 0.847 178 V CB 1.228 33.161 31.823 0.184 0.000 0.990 178 V HN 0.669 nan 8.190 nan 0.000 0.444 179 I N 3.865 124.550 120.570 0.193 0.000 2.091 179 I HA -0.242 3.928 4.170 -0.000 0.000 0.239 179 I C 2.589 178.813 176.117 0.178 0.000 1.061 179 I CA 2.188 63.659 61.300 0.285 0.000 1.317 179 I CB -0.731 37.421 38.000 0.253 0.000 1.031 179 I HN 0.923 nan 8.210 nan 0.000 0.401 180 E N 0.863 121.147 120.200 0.141 0.000 2.204 180 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 180 E C 1.395 178.038 176.600 0.071 0.000 0.990 180 E CA 1.441 57.906 56.400 0.108 0.000 0.821 180 E CB -0.280 29.482 29.700 0.104 0.000 0.750 180 E HN 0.430 nan 8.360 nan 0.000 0.477 181 D N 1.250 121.707 120.400 0.094 0.000 2.117 181 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 181 D C 2.114 178.400 176.300 -0.024 0.000 0.982 181 D CA 0.896 54.955 54.000 0.098 0.000 0.828 181 D CB -0.163 40.798 40.800 0.268 0.000 0.967 181 D HN 0.308 nan 8.370 nan 0.000 0.464 182 I N 0.934 121.390 120.570 -0.191 0.000 2.179 182 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 182 I C 2.269 178.171 176.117 -0.358 0.000 1.088 182 I CA 1.110 62.152 61.300 -0.431 0.000 1.357 182 I CB -0.099 37.405 38.000 -0.826 0.000 1.051 182 I HN -0.049 nan 8.210 nan 0.000 0.409 183 K N 0.806 121.112 120.400 -0.157 0.000 2.097 183 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 183 K C 2.083 178.622 176.600 -0.103 0.000 1.049 183 K CA 1.190 57.459 56.287 -0.031 0.000 0.933 183 K CB -0.150 32.444 32.500 0.157 0.000 0.717 183 K HN 0.330 nan 8.250 nan 0.000 0.442 184 K N 0.589 120.943 120.400 -0.077 0.000 2.148 184 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 184 K C 2.118 178.637 176.600 -0.135 0.000 1.050 184 K CA 0.982 57.223 56.287 -0.076 0.000 0.942 184 K CB -0.065 32.413 32.500 -0.037 0.000 0.724 184 K HN 0.150 nan 8.250 nan 0.000 0.446 185 M N 0.001 119.495 119.600 -0.177 0.000 2.229 185 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 185 M C 1.594 177.687 176.300 -0.346 0.000 1.063 185 M CA 1.436 56.611 55.300 -0.208 0.000 1.114 185 M CB 0.131 32.634 32.600 -0.161 0.000 1.387 185 M HN 0.181 nan 8.290 nan 0.000 0.420 186 C N -0.645 118.318 119.300 -0.562 0.000 2.700 186 C HA 0.246 4.706 4.460 -0.000 0.000 0.297 186 C C 0.933 175.529 174.990 -0.657 0.000 1.293 186 C CA -0.487 57.974 59.018 -0.929 0.000 1.756 186 C CB -0.548 25.941 27.740 -2.085 0.000 2.210 186 C HN 0.325 nan 8.230 nan 0.000 0.553 187 R N 1.396 121.686 120.500 -0.351 0.000 2.351 187 R HA 0.361 4.701 4.340 -0.000 0.000 0.318 187 R C -0.562 175.683 176.300 -0.091 0.000 1.055 187 R CA 0.241 56.287 56.100 -0.090 0.000 0.968 187 R CB 0.669 30.982 30.300 0.022 0.000 0.974 187 R HN 0.198 nan 8.270 nan 0.000 0.439 188 V N 6.061 125.942 119.914 -0.056 0.000 2.459 188 V HA 0.324 4.444 4.120 -0.000 0.000 0.295 188 V C -0.053 176.031 176.094 -0.015 0.000 1.029 188 V CA -0.938 61.332 62.300 -0.050 0.000 0.874 188 V CB 1.372 33.158 31.823 -0.062 0.000 0.985 188 V HN 0.636 nan 8.190 nan 0.000 0.438 189 L N 7.797 129.009 121.223 -0.018 0.000 2.540 189 L HA 0.217 4.557 4.340 -0.000 0.000 0.276 189 L C -1.756 175.114 176.870 -0.001 0.000 1.212 189 L CA -1.159 53.677 54.840 -0.007 0.000 0.893 189 L CB -0.264 41.787 42.059 -0.012 0.000 1.138 189 L HN 0.540 nan 8.230 nan 0.000 0.491 190 P HA -0.077 nan 4.420 nan 0.000 0.264 190 P C 0.907 178.210 177.300 0.006 0.000 1.179 190 P CA 0.136 63.242 63.100 0.010 0.000 0.763 190 P CB 0.547 32.254 31.700 0.012 0.000 0.806 191 L N 1.057 122.285 121.223 0.008 0.000 2.156 191 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 191 L C 1.244 178.117 176.870 0.005 0.000 1.095 191 L CA 2.233 57.076 54.840 0.005 0.000 0.770 191 L CB -0.985 41.079 42.059 0.009 0.000 0.914 191 L HN 0.532 nan 8.230 nan 0.000 0.439 219 A N 4.310 127.173 122.820 0.073 0.000 2.280 219 A HA 0.737 5.057 4.320 -0.000 0.000 0.268 219 A C -0.415 177.270 177.584 0.168 0.000 1.111 219 A CA -0.473 51.627 52.037 0.105 0.000 0.814 219 A CB 0.562 19.603 19.000 0.069 0.000 1.093 219 A HN 0.988 nan 8.150 nan 0.000 0.498 220 W N 0.967 122.247 121.300 -0.034 0.000 2.619 220 W HA 0.404 5.064 4.660 -0.000 0.000 0.327 220 W C -1.124 175.358 176.519 -0.062 0.000 1.027 220 W CA -0.697 56.615 57.345 -0.054 0.000 1.233 220 W CB 1.196 30.621 29.460 -0.058 0.000 1.370 220 W HN 0.669 nan 8.180 nan 0.000 0.453 221 K N 6.731 126.886 120.400 -0.407 0.000 2.383 221 K HA 0.153 4.473 4.320 -0.000 0.000 0.286 221 K C -2.122 174.258 176.600 -0.368 0.000 1.051 221 K CA -1.283 54.810 56.287 -0.324 0.000 0.974 221 K CB 0.567 32.864 32.500 -0.339 0.000 0.968 221 K HN 0.069 nan 8.250 nan 0.000 0.475 222 P HA -0.121 nan 4.420 nan 0.000 0.264 222 P C -1.020 176.274 177.300 -0.010 0.000 1.183 222 P CA -0.016 63.112 63.100 0.046 0.000 0.763 222 P CB 0.403 32.208 31.700 0.176 0.000 0.807 223 L N 5.201 126.397 121.223 -0.045 0.000 2.313 223 L HA 0.492 4.832 4.340 -0.000 0.000 0.283 223 L C -1.159 175.761 176.870 0.083 0.000 1.013 223 L CA -0.822 53.986 54.840 -0.052 0.000 0.816 223 L CB 1.215 43.206 42.059 -0.112 0.000 1.236 223 L HN 0.116 nan 8.230 nan 0.000 0.419 224 L N 6.348 127.639 121.223 0.113 0.000 2.261 224 L HA 0.478 4.818 4.340 -0.000 0.000 0.289 224 L C -1.254 175.658 176.870 0.069 0.000 1.059 224 L CA 0.134 55.055 54.840 0.136 0.000 0.816 224 L CB 0.811 42.923 42.059 0.088 0.000 1.191 224 L HN 0.713 nan 8.230 nan 0.000 0.431 225 L N 6.734 127.995 121.223 0.063 0.000 2.280 225 L HA 0.562 4.902 4.340 -0.000 0.000 0.287 225 L C -0.922 176.004 176.870 0.094 0.000 1.023 225 L CA -0.326 54.550 54.840 0.060 0.000 0.819 225 L CB 0.895 42.888 42.059 -0.111 0.000 1.212 225 L HN 0.637 nan 8.230 nan 0.000 0.420 226 I N 5.312 125.940 120.570 0.097 0.000 2.406 226 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 226 I C -0.608 175.541 176.117 0.052 0.000 0.999 226 I CA -0.778 60.548 61.300 0.045 0.000 1.124 226 I CB 2.017 40.021 38.000 0.007 0.000 1.289 226 I HN 0.190 nan 8.210 nan 0.000 0.441 227 V N 7.461 127.387 119.914 0.020 0.000 2.289 227 V HA 0.301 4.421 4.120 -0.000 0.000 0.272 227 V C -2.418 173.669 176.094 -0.012 0.000 1.026 227 V CA -1.749 60.535 62.300 -0.027 0.000 0.807 227 V CB 0.831 32.535 31.823 -0.199 0.000 1.044 227 V HN 0.547 nan 8.190 nan 0.000 0.443 228 P HA 0.446 nan 4.420 nan 0.000 0.276 228 P C -0.755 176.564 177.300 0.031 0.000 1.230 228 P CA 0.051 63.167 63.100 0.026 0.000 0.776 228 P CB 0.829 32.539 31.700 0.016 0.000 0.888 229 L N 2.323 123.572 121.223 0.044 0.000 2.424 229 L HA 0.636 4.976 4.340 -0.000 0.000 0.258 229 L C -0.017 176.863 176.870 0.016 0.000 0.995 229 L CA -1.003 53.854 54.840 0.029 0.000 0.821 229 L CB 2.635 44.714 42.059 0.033 0.000 1.383 229 L HN 0.136 nan 8.230 nan 0.000 0.410 230 R N 1.760 122.257 120.500 -0.005 0.000 2.320 230 R HA 0.476 4.816 4.340 -0.000 0.000 0.319 230 R C -0.631 175.643 176.300 -0.043 0.000 0.969 230 R CA -0.205 55.893 56.100 -0.002 0.000 0.857 230 R CB 0.530 30.845 30.300 0.025 0.000 1.160 230 R HN 0.666 nan 8.270 nan 0.000 0.491 231 L N 3.247 124.434 121.223 -0.059 0.000 2.688 231 L HA 0.503 4.843 4.340 -0.000 0.000 0.234 231 L C 0.616 177.558 176.870 0.120 0.000 1.192 231 L CA 0.134 54.930 54.840 -0.073 0.000 0.984 231 L CB -0.025 41.965 42.059 -0.116 0.000 1.232 231 L HN 0.880 nan 8.230 nan 0.000 0.465 232 G N -0.881 107.974 108.800 0.092 0.000 2.352 232 G HA2 0.129 4.089 3.960 -0.000 0.000 0.302 232 G HA3 0.129 4.089 3.960 -0.000 0.000 0.302 232 G C -0.076 174.861 174.900 0.061 0.000 1.370 232 G CA -0.817 44.343 45.100 0.100 0.000 0.918 232 G HN -0.077 nan 8.290 nan 0.000 0.610 233 I N -0.149 120.452 120.570 0.053 0.000 2.188 233 I HA 0.021 4.191 4.170 -0.000 0.000 0.237 233 I C 2.246 178.384 176.117 0.036 0.000 1.073 233 I CA 1.506 62.831 61.300 0.043 0.000 1.359 233 I CB -0.070 37.953 38.000 0.038 0.000 1.083 233 I HN 0.546 nan 8.210 nan 0.000 0.412 234 N N -1.107 117.611 118.700 0.029 0.000 2.407 234 N HA 0.061 4.801 4.740 -0.000 0.000 0.182 234 N C -0.122 175.400 175.510 0.019 0.000 1.079 234 N CA -0.102 52.962 53.050 0.024 0.000 0.882 234 N CB 0.521 39.020 38.487 0.019 0.000 1.106 234 N HN 0.385 nan 8.380 nan 0.000 0.461 235 Q N 0.233 120.044 119.800 0.019 0.000 2.421 235 Q HA 0.403 4.743 4.340 -0.000 0.000 0.280 235 Q C -0.991 175.016 176.000 0.013 0.000 1.085 235 Q CA -0.772 55.037 55.803 0.010 0.000 0.807 235 Q CB 1.787 30.529 28.738 0.007 0.000 1.405 235 Q HN -0.022 nan 8.270 nan 0.000 0.419 236 I N 2.459 123.024 120.570 -0.008 0.000 2.752 236 I HA -0.066 4.104 4.170 -0.000 0.000 0.289 236 I C 0.407 176.543 176.117 0.031 0.000 1.197 236 I CA 0.039 61.338 61.300 -0.002 0.000 1.432 236 I CB 0.178 38.132 38.000 -0.078 0.000 1.359 236 I HN 0.638 nan 8.210 nan 0.000 0.571 237 N N 9.473 128.232 118.700 0.098 0.000 2.452 237 N HA 0.082 4.822 4.740 -0.000 0.000 0.266 237 N C -1.703 173.789 175.510 -0.029 0.000 1.175 237 N CA -1.613 51.455 53.050 0.029 0.000 0.945 237 N CB 1.328 39.824 38.487 0.016 0.000 1.063 237 N HN 0.252 nan 8.380 nan 0.000 0.472 238 P HA -0.201 nan 4.420 nan 0.000 0.218 238 P C 1.341 178.582 177.300 -0.099 0.000 1.146 238 P CA 1.083 64.149 63.100 -0.056 0.000 0.820 238 P CB 0.124 31.794 31.700 -0.050 0.000 0.778 239 V N -5.095 114.685 119.914 -0.224 0.000 3.026 239 V HA -0.178 3.942 4.120 -0.000 0.000 0.265 239 V C 1.381 177.298 176.094 -0.296 0.000 1.121 239 V CA 1.566 63.681 62.300 -0.308 0.000 1.142 239 V CB -1.807 29.745 31.823 -0.451 0.000 0.730 239 V HN 0.066 nan 8.190 nan 0.000 0.503 240 Y N -0.765 119.539 120.300 0.006 0.000 2.458 240 Y HA 0.412 4.962 4.550 -0.000 0.000 0.256 240 Y C 2.275 178.210 175.900 0.058 0.000 1.159 240 Y CA -0.086 58.033 58.100 0.032 0.000 1.261 240 Y CB -0.218 38.258 38.460 0.027 0.000 1.119 240 Y HN 0.074 nan 8.280 nan 0.000 0.524 241 V N 0.122 120.116 119.914 0.133 0.000 2.261 241 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 241 V C 1.798 177.950 176.094 0.096 0.000 1.047 241 V CA 2.248 64.611 62.300 0.105 0.000 1.015 241 V CB -0.339 31.503 31.823 0.033 0.000 0.642 241 V HN 0.268 nan 8.190 nan 0.000 0.446 242 D N 0.512 120.941 120.400 0.049 0.000 2.104 242 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 242 D C 2.202 178.521 176.300 0.032 0.000 0.994 242 D CA 1.793 55.798 54.000 0.009 0.000 0.830 242 D CB -0.477 40.326 40.800 0.005 0.000 0.959 242 D HN 0.437 nan 8.370 nan 0.000 0.452 243 A N 0.087 122.964 122.820 0.096 0.000 1.933 243 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 243 A C 2.106 179.797 177.584 0.178 0.000 1.175 243 A CA 0.915 53.019 52.037 0.112 0.000 0.628 243 A CB -0.929 18.156 19.000 0.142 0.000 0.814 243 A HN 0.217 nan 8.150 nan 0.000 0.444 244 F N 0.791 120.791 119.950 0.084 0.000 2.102 244 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 244 F C 2.188 178.068 175.800 0.134 0.000 1.105 244 F CA 2.088 60.154 58.000 0.110 0.000 1.239 244 F CB -0.217 38.850 39.000 0.111 0.000 0.991 244 F HN 0.135 nan 8.300 nan 0.000 0.474 245 K N -0.144 120.275 120.400 0.031 0.000 2.032 245 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 245 K C 1.958 178.508 176.600 -0.084 0.000 1.048 245 K CA 1.600 57.692 56.287 -0.325 0.000 0.927 245 K CB -0.332 31.674 32.500 -0.822 0.000 0.712 245 K HN 0.181 nan 8.250 nan 0.000 0.441 246 E N 0.599 120.761 120.200 -0.062 0.000 2.130 246 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 246 E C 2.141 178.734 176.600 -0.011 0.000 0.998 246 E CA 1.041 57.411 56.400 -0.050 0.000 0.806 246 E CB -0.561 29.110 29.700 -0.047 0.000 0.738 246 E HN 0.352 nan 8.360 nan 0.000 0.459 247 C N 0.016 119.321 119.300 0.009 0.000 2.413 247 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 247 C C 2.417 177.403 174.990 -0.006 0.000 1.265 247 C CA 0.362 59.418 59.018 0.064 0.000 1.752 247 C CB -1.426 26.285 27.740 -0.048 0.000 1.998 247 C HN 0.306 nan 8.230 nan 0.000 0.489 248 F N 1.319 121.287 119.950 0.030 0.000 2.502 248 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 248 F C 2.231 178.076 175.800 0.075 0.000 1.111 248 F CA 1.067 59.133 58.000 0.110 0.000 1.445 248 F CB -0.469 38.683 39.000 0.253 0.000 1.081 248 F HN 0.265 nan 8.300 nan 0.000 0.558 249 K N -0.239 120.151 120.400 -0.017 0.000 2.361 249 K HA 0.104 4.424 4.320 -0.000 0.000 0.196 249 K C 0.556 177.059 176.600 -0.161 0.000 1.039 249 K CA 0.294 56.257 56.287 -0.539 0.000 1.001 249 K CB 0.022 31.929 32.500 -0.989 0.000 0.795 249 K HN 0.254 nan 8.250 nan 0.000 0.495 250 M N 2.265 121.900 119.600 0.058 0.000 2.228 250 M HA 0.053 4.533 4.480 -0.000 0.000 0.351 250 M C -1.667 174.783 176.300 0.249 0.000 1.233 250 M CA -1.728 53.669 55.300 0.162 0.000 1.129 250 M CB 0.541 33.304 32.600 0.272 0.000 1.604 250 M HN -0.198 nan 8.290 nan 0.000 0.457 251 P HA -0.156 nan 4.420 nan 0.000 0.221 251 P C 0.504 177.970 177.300 0.276 0.000 1.145 251 P CA 1.346 64.589 63.100 0.238 0.000 0.795 251 P CB 0.093 31.904 31.700 0.185 0.000 0.775 252 Q N -0.802 119.193 119.800 0.326 0.000 2.451 252 Q HA 0.067 4.407 4.340 -0.000 0.000 0.206 252 Q C 0.959 177.234 176.000 0.457 0.000 0.947 252 Q CA 0.171 56.196 55.803 0.369 0.000 0.937 252 Q CB -0.622 28.308 28.738 0.321 0.000 1.025 252 Q HN 0.062 nan 8.270 nan 0.000 0.511 253 S N 0.404 116.366 115.700 0.437 0.000 2.546 253 S HA 0.052 4.522 4.470 -0.000 0.000 0.290 253 S C 0.439 175.111 174.600 0.119 0.000 1.262 253 S CA -0.123 58.208 58.200 0.218 0.000 1.083 253 S CB 0.147 63.448 63.200 0.168 0.000 0.859 253 S HN 0.389 nan 8.310 nan 0.000 0.495 254 L N 5.522 126.725 121.223 -0.033 0.000 2.653 254 L HA 0.333 4.673 4.340 -0.000 0.000 0.231 254 L C 1.510 178.455 176.870 0.125 0.000 1.153 254 L CA 0.157 55.054 54.840 0.095 0.000 0.933 254 L CB -1.076 41.036 42.059 0.090 0.000 1.175 254 L HN 1.045 nan 8.230 nan 0.000 0.473 255 G N 0.882 109.636 108.800 -0.076 0.000 2.512 255 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.254 255 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.254 255 G C -0.383 174.435 174.900 -0.137 0.000 1.199 255 G CA -0.179 44.892 45.100 -0.049 0.000 0.941 255 G HN 0.629 nan 8.290 nan 0.000 0.569 256 A N -1.398 121.569 122.820 0.245 0.000 2.574 256 A HA 0.761 5.081 4.320 -0.000 0.000 0.297 256 A C -0.583 177.346 177.584 0.574 0.000 1.062 256 A CA -0.280 51.949 52.037 0.319 0.000 0.686 256 A CB 1.198 20.413 19.000 0.359 0.000 1.285 256 A HN 1.402 nan 8.150 nan 0.000 0.403 257 L N 1.263 122.746 121.223 0.433 0.000 2.325 257 L HA 0.813 5.153 4.340 -0.000 0.000 0.279 257 L C 0.807 177.961 176.870 0.474 0.000 1.054 257 L CA -0.058 55.033 54.840 0.418 0.000 0.804 257 L CB 1.634 43.829 42.059 0.226 0.000 1.200 257 L HN 1.087 nan 8.230 nan 0.000 0.436 258 G N 0.387 109.512 108.800 0.542 0.000 2.428 258 G HA2 0.616 4.576 3.960 -0.000 0.000 0.304 258 G HA3 0.616 4.576 3.960 -0.000 0.000 0.304 258 G C -0.876 174.336 174.900 0.520 0.000 1.303 258 G CA -0.028 45.394 45.100 0.537 0.000 0.825 258 G HN 0.978 nan 8.290 nan 0.000 0.484 259 G N -1.058 107.995 108.800 0.422 0.000 2.484 259 G HA2 0.317 4.277 3.960 -0.000 0.000 0.685 259 G HA3 0.317 4.277 3.960 -0.000 0.000 0.685 259 G C -0.571 174.441 174.900 0.187 0.000 1.294 259 G CA -0.272 44.999 45.100 0.285 0.000 0.879 259 G HN 0.651 nan 8.290 nan 0.000 0.646 260 K N 1.004 121.424 120.400 0.033 0.000 2.180 260 K HA 0.396 4.716 4.320 -0.000 0.000 0.251 260 K C -2.178 174.154 176.600 -0.446 0.000 1.014 260 K CA -1.215 55.005 56.287 -0.111 0.000 0.913 260 K CB 0.395 32.830 32.500 -0.107 0.000 1.008 260 K HN 0.253 nan 8.250 nan 0.000 0.490 261 P HA -0.101 nan 4.420 nan 0.000 0.261 261 P C -0.764 175.806 177.300 -1.215 0.000 1.173 261 P CA 0.858 62.927 63.100 -1.719 0.000 0.760 261 P CB 0.109 31.274 31.700 -0.893 0.000 0.783 262 N N 0.804 118.513 118.700 -1.651 0.000 2.778 262 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 262 N C -0.266 175.109 175.510 -0.225 0.000 1.069 262 N CA 0.638 53.368 53.050 -0.533 0.000 0.831 262 N CB -1.325 37.001 38.487 -0.267 0.000 1.142 262 N HN 0.547 nan 8.380 nan 0.000 0.573 263 N N -0.323 118.192 118.700 -0.309 0.000 2.622 263 N HA 0.299 5.039 4.740 -0.000 0.000 0.304 263 N C -0.724 174.524 175.510 -0.437 0.000 1.844 263 N CA 0.043 52.850 53.050 -0.404 0.000 0.886 263 N CB 0.926 39.216 38.487 -0.328 0.000 1.366 263 N HN 0.238 nan 8.380 nan 0.000 0.491 264 A N 0.749 123.519 122.820 -0.083 0.000 2.354 264 A HA 0.583 4.903 4.320 -0.000 0.000 0.269 264 A C -0.980 176.385 177.584 -0.365 0.000 1.109 264 A CA 0.300 52.324 52.037 -0.022 0.000 0.800 264 A CB 0.304 19.468 19.000 0.273 0.000 1.045 264 A HN 0.278 nan 8.150 nan 0.000 0.489 265 Y N -0.634 119.667 120.300 0.000 0.000 2.581 265 Y HA 0.442 4.992 4.550 -0.000 0.000 0.345 265 Y C -0.738 175.002 175.900 -0.267 0.000 1.036 265 Y CA -0.845 57.099 58.100 -0.260 0.000 1.042 265 Y CB 1.561 39.526 38.460 -0.826 0.000 1.289 265 Y HN 0.633 nan 8.280 nan 0.000 0.471 266 Y N 3.007 123.260 120.300 -0.078 0.000 2.504 266 Y HA 0.519 5.069 4.550 -0.000 0.000 0.339 266 Y C -1.601 174.303 175.900 0.007 0.000 0.974 266 Y CA -2.179 55.926 58.100 0.008 0.000 1.232 266 Y CB -0.260 38.259 38.460 0.099 0.000 1.108 266 Y HN 0.413 nan 8.280 nan 0.000 0.509 267 F N 7.404 127.480 119.950 0.210 0.000 2.438 267 F HA 0.250 4.777 4.527 -0.000 0.000 0.356 267 F C 1.178 176.989 175.800 0.020 0.000 1.099 267 F CA -0.402 57.711 58.000 0.189 0.000 1.185 267 F CB 0.766 40.010 39.000 0.407 0.000 1.115 267 F HN 0.559 nan 8.300 nan 0.000 0.526 268 I N -0.433 120.185 120.570 0.080 0.000 4.240 268 I HA 0.712 4.882 4.170 -0.000 0.000 0.331 268 I C 0.623 176.839 176.117 0.164 0.000 1.381 268 I CA -0.012 61.300 61.300 0.020 0.000 1.136 268 I CB 0.343 38.242 38.000 -0.169 0.000 1.137 268 I HN 0.613 nan 8.210 nan 0.000 0.411 269 G N 1.863 110.586 108.800 -0.128 0.000 2.336 269 G HA2 0.422 4.382 3.960 -0.000 0.000 0.286 269 G HA3 0.422 4.382 3.960 -0.000 0.000 0.286 269 G C -1.834 172.885 174.900 -0.301 0.000 1.269 269 G CA -0.222 44.708 45.100 -0.283 0.000 0.873 269 G HN 0.390 nan 8.290 nan 0.000 0.494 270 F N -1.569 118.249 119.950 -0.221 0.000 2.693 270 F HA 0.860 5.387 4.527 -0.000 0.000 0.309 270 F C -2.026 173.796 175.800 0.036 0.000 1.129 270 F CA -1.392 56.539 58.000 -0.114 0.000 0.948 270 F CB 1.917 40.822 39.000 -0.159 0.000 1.315 270 F HN 0.869 nan 8.300 nan 0.000 0.447 271 L N 3.368 124.653 121.223 0.104 0.000 2.476 271 L HA 0.826 5.166 4.340 -0.000 0.000 0.269 271 L C 0.266 177.269 176.870 0.221 0.000 0.965 271 L CA 0.727 55.594 54.840 0.046 0.000 0.845 271 L CB 1.410 43.461 42.059 -0.014 0.000 1.259 271 L HN 1.679 nan 8.230 nan 0.000 0.403 272 G N 4.068 113.038 108.800 0.282 0.000 2.611 272 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.301 272 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.301 272 G C 0.316 175.368 174.900 0.254 0.000 1.233 272 G CA 0.559 45.803 45.100 0.240 0.000 0.993 272 G HN 0.691 nan 8.290 nan 0.000 0.553 273 D N 2.568 123.061 120.400 0.155 0.000 2.336 273 D HA 0.242 4.882 4.640 -0.000 0.000 0.228 273 D C 0.692 177.063 176.300 0.120 0.000 1.120 273 D CA 0.529 54.599 54.000 0.116 0.000 0.839 273 D CB 0.248 41.094 40.800 0.076 0.000 0.932 273 D HN 0.545 nan 8.370 nan 0.000 0.509 274 E N 0.377 120.672 120.200 0.157 0.000 2.199 274 E HA 0.399 4.749 4.350 -0.000 0.000 0.269 274 E C -0.261 176.452 176.600 0.189 0.000 0.899 274 E CA -0.637 55.853 56.400 0.150 0.000 0.772 274 E CB 2.362 32.133 29.700 0.119 0.000 1.155 274 E HN -0.006 nan 8.360 nan 0.000 0.408 275 L N 3.728 125.070 121.223 0.198 0.000 2.350 275 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 275 L C -0.065 176.982 176.870 0.294 0.000 1.099 275 L CA -0.508 54.466 54.840 0.223 0.000 0.808 275 L CB 0.567 42.775 42.059 0.249 0.000 1.149 275 L HN 0.396 nan 8.230 nan 0.000 0.442 276 I N 3.209 123.885 120.570 0.177 0.000 2.385 276 I HA 0.362 4.532 4.170 -0.000 0.000 0.294 276 I C -0.443 175.775 176.117 0.168 0.000 0.988 276 I CA -0.300 61.045 61.300 0.075 0.000 1.265 276 I CB 0.986 38.962 38.000 -0.041 0.000 1.388 276 I HN 0.396 nan 8.210 nan 0.000 0.480 277 F N 5.036 124.953 119.950 -0.054 0.000 2.613 277 F HA 0.741 5.268 4.527 -0.000 0.000 0.310 277 F C -1.663 174.057 175.800 -0.133 0.000 1.085 277 F CA -1.191 56.712 58.000 -0.160 0.000 0.945 277 F CB 0.932 39.701 39.000 -0.386 0.000 1.298 277 F HN 0.086 nan 8.300 nan 0.000 0.455 278 L N 2.065 123.365 121.223 0.129 0.000 2.325 278 L HA 0.433 4.773 4.340 -0.000 0.000 0.279 278 L C -0.962 176.189 176.870 0.469 0.000 1.054 278 L CA -0.575 54.377 54.840 0.188 0.000 0.804 278 L CB 1.329 43.556 42.059 0.279 0.000 1.200 278 L HN 0.661 nan 8.230 nan 0.000 0.436 279 D N 3.856 124.561 120.400 0.509 0.000 2.471 279 D HA 0.272 4.912 4.640 -0.000 0.000 0.245 279 D C -1.964 174.610 176.300 0.457 0.000 1.116 279 D CA -1.907 52.474 54.000 0.634 0.000 0.853 279 D CB 2.171 43.318 40.800 0.579 0.000 1.123 279 D HN 0.169 nan 8.370 nan 0.000 0.540 280 P HA 0.028 nan 4.420 nan 0.000 0.249 280 P C 0.113 177.002 177.300 -0.686 0.000 1.229 280 P CA 0.267 63.126 63.100 -0.401 0.000 0.788 280 P CB 0.037 31.399 31.700 -0.564 0.000 1.072 281 H N -0.765 118.162 119.070 -0.238 0.000 2.607 281 H HA 0.162 4.718 4.556 -0.000 0.000 0.288 281 H C 0.067 175.371 175.328 -0.040 0.000 1.058 281 H CA 0.374 56.209 56.048 -0.355 0.000 1.178 281 H CB -0.689 29.031 29.762 -0.070 0.000 1.340 281 H HN -0.036 nan 8.280 nan 0.000 0.591 282 T N 1.118 115.684 114.554 0.019 0.000 2.749 282 T HA 0.169 4.519 4.350 -0.000 0.000 0.287 282 T C 0.342 175.088 174.700 0.077 0.000 0.970 282 T CA -0.702 61.459 62.100 0.102 0.000 0.980 282 T CB 1.010 69.953 68.868 0.124 0.000 0.924 282 T HN 0.182 nan 8.240 nan 0.000 0.456 283 T N 5.647 120.301 114.554 0.166 0.000 2.779 283 T HA 0.260 4.610 4.350 -0.000 0.000 0.296 283 T C 0.187 174.911 174.700 0.041 0.000 0.938 283 T CA -0.413 61.766 62.100 0.130 0.000 1.119 283 T CB 0.369 69.295 68.868 0.096 0.000 0.891 283 T HN 0.503 nan 8.240 nan 0.000 0.526 284 Q N 1.638 121.439 119.800 0.001 0.000 2.377 284 Q HA 0.402 4.742 4.340 -0.000 0.000 0.271 284 Q C -0.290 175.723 176.000 0.022 0.000 1.077 284 Q CA -0.939 54.848 55.803 -0.027 0.000 0.820 284 Q CB 1.714 30.372 28.738 -0.134 0.000 1.347 284 Q HN 0.502 nan 8.270 nan 0.000 0.444 285 T N 1.710 116.283 114.554 0.032 0.000 2.930 285 T HA 0.057 4.407 4.350 -0.000 0.000 0.306 285 T C -0.109 174.677 174.700 0.144 0.000 1.045 285 T CA -0.184 61.968 62.100 0.087 0.000 1.134 285 T CB 0.028 68.936 68.868 0.067 0.000 0.961 285 T HN 0.331 nan 8.240 nan 0.000 0.545 286 F N 4.215 124.219 119.950 0.090 0.000 2.623 286 F HA 0.180 4.707 4.527 0.000 0.000 0.386 286 F C -0.260 175.616 175.800 0.128 0.000 1.068 286 F CA -0.210 57.883 58.000 0.156 0.000 1.265 286 F CB 0.086 39.212 39.000 0.210 0.000 1.026 286 F HN 0.208 nan 8.300 nan 0.000 0.568 287 V N 6.863 126.498 119.914 -0.464 0.000 2.448 287 V HA 0.285 4.405 4.120 -0.000 0.000 0.295 287 V C -0.283 175.329 176.094 -0.803 0.000 1.025 287 V CA -0.733 61.306 62.300 -0.436 0.000 0.859 287 V CB 1.513 33.320 31.823 -0.028 0.000 0.988 287 V HN 0.738 nan 8.190 nan 0.000 0.431 288 D N 1.926 121.924 120.400 -0.670 0.000 2.392 288 D HA 0.480 5.120 4.640 -0.000 0.000 0.246 288 D C 0.153 176.370 176.300 -0.140 0.000 1.013 288 D CA -0.132 53.606 54.000 -0.437 0.000 0.993 288 D CB 2.194 42.842 40.800 -0.254 0.000 1.219 288 D HN 0.658 nan 8.370 nan 0.000 0.538 289 T N -0.420 114.097 114.554 -0.061 0.000 2.903 289 T HA 0.188 4.538 4.350 -0.000 0.000 0.314 289 T C 0.454 175.147 174.700 -0.011 0.000 1.078 289 T CA -0.581 61.503 62.100 -0.027 0.000 1.114 289 T CB 0.693 69.548 68.868 -0.022 0.000 0.987 289 T HN 0.194 nan 8.240 nan 0.000 0.548 290 E N 1.591 121.791 120.200 0.001 0.000 2.359 290 E HA 0.176 4.526 4.350 -0.000 0.000 0.255 290 E C 1.393 177.998 176.600 0.008 0.000 1.191 290 E CA -0.610 55.796 56.400 0.010 0.000 0.952 290 E CB 0.598 30.310 29.700 0.020 0.000 1.152 290 E HN 0.819 nan 8.360 nan 0.000 0.496 291 E N 0.705 120.911 120.200 0.011 0.000 2.130 291 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 291 E C 1.253 177.856 176.600 0.005 0.000 0.998 291 E CA 1.531 57.935 56.400 0.008 0.000 0.806 291 E CB -0.121 29.585 29.700 0.011 0.000 0.738 291 E HN 0.395 nan 8.360 nan 0.000 0.459 292 N N -0.284 118.421 118.700 0.008 0.000 2.521 292 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 292 N C 1.126 176.635 175.510 -0.000 0.000 1.146 292 N CA 1.029 54.083 53.050 0.006 0.000 0.893 292 N CB 0.391 38.886 38.487 0.014 0.000 0.975 292 N HN 0.200 nan 8.380 nan 0.000 0.451 293 G N -1.051 107.747 108.800 -0.004 0.000 2.157 293 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.239 293 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.239 293 G C 0.121 175.010 174.900 -0.020 0.000 0.982 293 G CA 0.559 45.648 45.100 -0.018 0.000 0.650 293 G HN 0.860 nan 8.290 nan 0.000 0.527 294 T N -2.496 112.058 114.554 -0.000 0.000 2.944 294 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 294 T C -0.082 174.626 174.700 0.013 0.000 1.010 294 T CA -0.259 61.846 62.100 0.010 0.000 1.025 294 T CB 2.765 71.660 68.868 0.045 0.000 1.079 294 T HN 1.234 nan 8.240 nan 0.000 0.516 295 V N 2.126 122.048 119.914 0.013 0.000 2.513 295 V HA 0.445 4.565 4.120 -0.000 0.000 0.299 295 V C -0.116 176.042 176.094 0.107 0.000 1.035 295 V CA -1.152 61.166 62.300 0.029 0.000 0.889 295 V CB 1.548 33.351 31.823 -0.033 0.000 0.988 295 V HN 1.054 nan 8.190 nan 0.000 0.440 296 N N 4.193 122.978 118.700 0.142 0.000 2.434 296 N HA 0.006 4.746 4.740 -0.000 0.000 0.268 296 N C 0.384 176.095 175.510 0.336 0.000 1.256 296 N CA 0.365 53.542 53.050 0.212 0.000 0.914 296 N CB 1.132 39.719 38.487 0.166 0.000 1.088 296 N HN 0.857 nan 8.380 nan 0.000 0.478 297 D N 2.475 123.124 120.400 0.414 0.000 2.328 297 D HA -0.123 4.517 4.640 -0.000 0.000 0.221 297 D C 1.397 178.054 176.300 0.594 0.000 1.072 297 D CA 0.312 54.654 54.000 0.570 0.000 0.850 297 D CB -0.146 41.037 40.800 0.637 0.000 0.922 297 D HN 0.757 nan 8.370 nan 0.000 0.516 298 Q N 0.993 121.058 119.800 0.441 0.000 2.096 298 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 298 Q C 1.516 177.659 176.000 0.239 0.000 0.982 298 Q CA 2.064 58.081 55.803 0.356 0.000 0.850 298 Q CB -1.173 27.718 28.738 0.256 0.000 0.901 298 Q HN 0.294 nan 8.270 nan 0.000 0.422 299 T N -2.986 111.616 114.554 0.081 0.000 3.160 299 T HA 0.058 4.408 4.350 -0.000 0.000 0.257 299 T C 0.641 175.135 174.700 -0.343 0.000 1.147 299 T CA 0.051 62.054 62.100 -0.162 0.000 1.064 299 T CB -0.188 68.447 68.868 -0.387 0.000 0.949 299 T HN 0.297 nan 8.240 nan 0.000 0.526 300 F N 1.084 121.052 119.950 0.031 0.000 2.639 300 F HA 0.401 4.928 4.527 -0.000 0.000 0.302 300 F C 0.785 176.305 175.800 -0.466 0.000 1.097 300 F CA -0.831 57.028 58.000 -0.235 0.000 1.294 300 F CB 0.170 38.978 39.000 -0.321 0.000 1.027 300 F HN 0.267 nan 8.300 nan 0.000 0.550 301 H N -0.819 118.293 119.070 0.070 0.000 2.782 301 H HA 0.231 4.787 4.556 -0.000 0.000 0.347 301 H C -0.909 174.302 175.328 -0.196 0.000 1.038 301 H CA -0.970 54.943 56.048 -0.225 0.000 1.255 301 H CB 1.957 31.175 29.762 -0.907 0.000 1.623 301 H HN -0.041 nan 8.280 nan 0.000 0.525 302 C N 4.982 124.021 119.300 -0.434 0.000 2.394 302 C HA 0.174 4.634 4.460 -0.000 0.000 0.362 302 C C 1.224 175.936 174.990 -0.463 0.000 1.268 302 C CA -0.356 58.087 59.018 -0.957 0.000 1.828 302 C CB -1.330 25.430 27.740 -1.633 0.000 2.442 302 C HN 0.662 nan 8.230 nan 0.000 0.549 303 L N 3.860 124.884 121.223 -0.332 0.000 2.554 303 L HA 0.254 4.594 4.340 -0.000 0.000 0.225 303 L C 1.384 178.146 176.870 -0.180 0.000 1.104 303 L CA 0.836 55.580 54.840 -0.160 0.000 0.866 303 L CB -1.021 41.011 42.059 -0.046 0.000 1.047 303 L HN 0.772 nan 8.230 nan 0.000 0.468 304 Q N 0.312 119.959 119.800 -0.255 0.000 2.479 304 Q HA 0.086 4.426 4.340 -0.000 0.000 0.267 304 Q C 0.507 176.388 176.000 -0.200 0.000 1.071 304 Q CA 0.129 55.809 55.803 -0.205 0.000 0.935 304 Q CB 0.697 29.297 28.738 -0.229 0.000 1.295 304 Q HN 0.418 nan 8.270 nan 0.000 0.476 305 S N 3.368 118.974 115.700 -0.157 0.000 2.549 305 S HA 0.216 4.686 4.470 -0.000 0.000 0.286 305 S C -2.364 172.115 174.600 -0.202 0.000 1.314 305 S CA -1.303 56.804 58.200 -0.155 0.000 1.062 305 S CB 0.384 63.513 63.200 -0.117 0.000 0.865 305 S HN 0.456 nan 8.310 nan 0.000 0.498 306 P HA 0.107 nan 4.420 nan 0.000 0.264 306 P C -0.498 176.613 177.300 -0.315 0.000 1.183 306 P CA 0.076 63.018 63.100 -0.263 0.000 0.763 306 P CB 0.254 31.828 31.700 -0.209 0.000 0.807 307 Q N 2.441 121.935 119.800 -0.512 0.000 2.259 307 Q HA 0.432 4.772 4.340 -0.000 0.000 0.249 307 Q C -0.004 175.593 176.000 -0.671 0.000 0.914 307 Q CA -0.226 55.147 55.803 -0.718 0.000 0.904 307 Q CB 1.195 29.187 28.738 -1.243 0.000 1.213 307 Q HN 0.318 nan 8.270 nan 0.000 0.428 308 R N 1.778 122.112 120.500 -0.278 0.000 2.621 308 R HA 0.548 4.888 4.340 -0.000 0.000 0.292 308 R C -1.105 175.370 176.300 0.291 0.000 0.969 308 R CA -0.583 55.540 56.100 0.038 0.000 0.887 308 R CB 1.964 32.273 30.300 0.015 0.000 1.180 308 R HN 0.544 nan 8.270 nan 0.000 0.450 309 M N 2.914 122.746 119.600 0.387 0.000 2.197 309 M HA 0.290 4.770 4.480 -0.000 0.000 0.301 309 M C -0.988 175.422 176.300 0.182 0.000 0.987 309 M CA -0.680 54.795 55.300 0.291 0.000 0.921 309 M CB 1.746 34.521 32.600 0.292 0.000 1.569 309 M HN 0.536 nan 8.290 nan 0.000 0.431 310 N N 4.462 123.235 118.700 0.121 0.000 2.359 310 N HA -0.013 4.727 4.740 -0.000 0.000 0.261 310 N C 0.861 176.408 175.510 0.061 0.000 1.267 310 N CA 0.441 53.541 53.050 0.084 0.000 0.864 310 N CB 0.546 39.071 38.487 0.062 0.000 1.063 310 N HN 0.841 nan 8.380 nan 0.000 0.474 311 I N 3.710 124.307 120.570 0.046 0.000 2.315 311 I HA -0.328 3.842 4.170 -0.000 0.000 0.251 311 I C 1.939 178.036 176.117 -0.033 0.000 1.125 311 I CA 1.004 62.302 61.300 -0.004 0.000 1.392 311 I CB -0.090 37.913 38.000 0.006 0.000 1.065 311 I HN 0.577 nan 8.210 nan 0.000 0.424 312 L N 0.590 121.810 121.223 -0.006 0.000 2.456 312 L HA -0.115 4.225 4.340 -0.000 0.000 0.224 312 L C 1.516 178.384 176.870 -0.002 0.000 1.148 312 L CA 0.676 55.510 54.840 -0.009 0.000 0.825 312 L CB -0.658 41.403 42.059 0.003 0.000 0.937 312 L HN 0.354 nan 8.230 nan 0.000 0.450 313 N N 0.292 118.998 118.700 0.011 0.000 2.398 313 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 313 N C 0.283 175.808 175.510 0.025 0.000 1.122 313 N CA 0.136 53.202 53.050 0.027 0.000 0.866 313 N CB 0.221 38.739 38.487 0.051 0.000 0.970 313 N HN 0.129 nan 8.380 nan 0.000 0.462 314 L N 1.722 122.931 121.223 -0.024 0.000 2.319 314 L HA 0.169 4.509 4.340 -0.000 0.000 0.280 314 L C 0.373 177.219 176.870 -0.040 0.000 1.099 314 L CA -0.379 54.426 54.840 -0.059 0.000 0.828 314 L CB 0.433 42.349 42.059 -0.239 0.000 1.150 314 L HN 0.005 nan 8.230 nan 0.000 0.442 315 D N 7.091 127.505 120.400 0.023 0.000 2.525 315 D HA -0.011 4.629 4.640 -0.000 0.000 0.235 315 D C -1.691 174.607 176.300 -0.004 0.000 1.137 315 D CA -0.800 53.219 54.000 0.032 0.000 0.868 315 D CB 1.577 42.427 40.800 0.084 0.000 1.180 315 D HN 0.470 nan 8.370 nan 0.000 0.465 316 P HA -0.055 nan 4.420 nan 0.000 0.226 316 P C 0.003 177.301 177.300 -0.003 0.000 1.153 316 P CA 0.323 63.410 63.100 -0.022 0.000 0.777 316 P CB 0.245 31.950 31.700 0.008 0.000 0.794 317 S N 0.888 116.617 115.700 0.049 0.000 2.416 317 S HA 0.357 4.827 4.470 -0.000 0.000 0.287 317 S C 0.439 175.105 174.600 0.110 0.000 1.139 317 S CA -0.465 57.783 58.200 0.081 0.000 1.058 317 S CB 0.527 63.799 63.200 0.120 0.000 0.967 317 S HN 0.038 nan 8.310 nan 0.000 0.495 318 V N 0.221 120.193 119.914 0.097 0.000 3.141 318 V HA 1.051 5.171 4.120 -0.000 0.000 0.312 318 V C -0.637 175.546 176.094 0.147 0.000 1.157 318 V CA -1.366 61.028 62.300 0.156 0.000 1.041 318 V CB 1.702 33.625 31.823 0.166 0.000 1.071 318 V HN 0.784 nan 8.190 nan 0.000 0.441 319 A N 2.678 125.602 122.820 0.173 0.000 2.353 319 A HA 0.821 5.141 4.320 -0.000 0.000 0.299 319 A C -0.735 176.903 177.584 0.090 0.000 1.089 319 A CA -0.698 51.404 52.037 0.109 0.000 0.736 319 A CB 0.970 20.015 19.000 0.076 0.000 1.195 319 A HN 1.018 nan 8.150 nan 0.000 0.447 320 L N 2.069 123.301 121.223 0.016 0.000 2.397 320 L HA 0.580 4.920 4.340 -0.000 0.000 0.271 320 L C 0.941 177.661 176.870 -0.251 0.000 1.148 320 L CA -0.183 54.554 54.840 -0.171 0.000 0.825 320 L CB 1.119 43.080 42.059 -0.163 0.000 1.117 320 L HN 0.776 nan 8.230 nan 0.000 0.456 321 G N 1.895 110.432 108.800 -0.439 0.000 2.495 321 G HA2 0.727 4.687 3.960 -0.000 0.000 0.318 321 G HA3 0.727 4.687 3.960 -0.000 0.000 0.318 321 G C -1.380 173.092 174.900 -0.714 0.000 1.257 321 G CA -0.288 44.599 45.100 -0.354 0.000 0.962 321 G HN 0.305 nan 8.290 nan 0.000 0.483 322 F N 0.182 120.114 119.950 -0.029 0.000 2.588 322 F HA 0.604 5.131 4.527 -0.000 0.000 0.310 322 F C -0.837 174.981 175.800 0.031 0.000 1.082 322 F CA -1.015 56.953 58.000 -0.052 0.000 0.929 322 F CB 2.726 41.521 39.000 -0.342 0.000 1.254 322 F HN 0.431 nan 8.300 nan 0.000 0.455 323 F N 2.550 122.574 119.950 0.124 0.000 2.449 323 F HA 0.644 5.171 4.527 -0.000 0.000 0.342 323 F C -1.105 174.753 175.800 0.096 0.000 1.127 323 F CA -1.332 56.715 58.000 0.079 0.000 0.975 323 F CB 0.943 39.987 39.000 0.073 0.000 1.146 323 F HN 0.446 nan 8.300 nan 0.000 0.444 324 C N 7.659 126.611 119.300 -0.580 0.000 2.362 324 C HA 0.307 4.767 4.460 -0.000 0.000 0.309 324 C C 1.486 176.123 174.990 -0.587 0.000 1.110 324 C CA -0.978 57.783 59.018 -0.429 0.000 1.485 324 C CB 0.378 28.103 27.740 -0.024 0.000 1.949 324 C HN 1.079 nan 8.230 nan 0.000 0.419 325 K N 1.674 121.600 120.400 -0.790 0.000 2.057 325 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 325 K C 0.647 177.203 176.600 -0.073 0.000 1.049 325 K CA 1.425 57.438 56.287 -0.457 0.000 0.931 325 K CB 0.347 32.743 32.500 -0.172 0.000 0.714 325 K HN 0.759 nan 8.250 nan 0.000 0.440 326 E N -1.085 118.966 120.200 -0.248 0.000 2.393 326 E HA 0.052 4.402 4.350 -0.000 0.000 0.265 326 E C -0.049 175.868 176.600 -1.138 0.000 0.941 326 E CA -0.480 55.623 56.400 -0.495 0.000 0.801 326 E CB 1.545 31.088 29.700 -0.262 0.000 1.313 326 E HN 0.093 nan 8.360 nan 0.000 0.435 327 E N 1.303 120.607 120.200 -1.495 0.000 2.110 327 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 327 E C 1.701 177.902 176.600 -0.665 0.000 0.988 327 E CA 1.755 57.214 56.400 -1.569 0.000 0.804 327 E CB 0.073 29.204 29.700 -0.948 0.000 0.745 327 E HN 0.446 nan 8.360 nan 0.000 0.458 328 K N 0.238 120.387 120.400 -0.420 0.000 2.152 328 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 328 K C 1.388 177.880 176.600 -0.179 0.000 1.048 328 K CA 1.777 57.926 56.287 -0.229 0.000 0.933 328 K CB -0.057 32.349 32.500 -0.157 0.000 0.721 328 K HN 0.086 nan 8.250 nan 0.000 0.447 329 D N 0.509 120.785 120.400 -0.208 0.000 2.149 329 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 329 D C 1.741 178.035 176.300 -0.011 0.000 0.972 329 D CA 0.923 54.860 54.000 -0.104 0.000 0.835 329 D CB -0.229 40.490 40.800 -0.135 0.000 0.966 329 D HN 0.238 nan 8.370 nan 0.000 0.476 330 F N 2.289 122.112 119.950 -0.211 0.000 2.146 330 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 330 F C 1.701 177.521 175.800 0.034 0.000 1.096 330 F CA 1.138 59.103 58.000 -0.058 0.000 1.275 330 F CB -0.052 38.914 39.000 -0.056 0.000 1.008 330 F HN -0.254 nan 8.300 nan 0.000 0.480 331 D N 0.114 120.402 120.400 -0.186 0.000 2.104 331 D HA -0.245 4.395 4.640 -0.000 0.000 0.194 331 D C 2.162 178.344 176.300 -0.197 0.000 0.994 331 D CA 1.392 55.252 54.000 -0.233 0.000 0.830 331 D CB -0.843 39.870 40.800 -0.144 0.000 0.959 331 D HN 0.409 nan 8.370 nan 0.000 0.452 332 N N -0.336 118.293 118.700 -0.118 0.000 2.069 332 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 332 N C 1.993 177.458 175.510 -0.075 0.000 1.031 332 N CA 1.084 54.085 53.050 -0.081 0.000 0.852 332 N CB -0.243 38.224 38.487 -0.034 0.000 1.018 332 N HN 0.249 nan 8.380 nan 0.000 0.423 333 W N 1.969 123.126 121.300 -0.239 0.000 2.335 333 W HA -0.207 4.453 4.660 -0.000 0.000 0.311 333 W C 2.593 178.910 176.519 -0.337 0.000 1.213 333 W CA 1.409 58.590 57.345 -0.273 0.000 1.274 333 W CB -0.749 28.551 29.460 -0.267 0.000 1.148 333 W HN 0.119 nan 8.180 nan 0.000 0.498 334 C N 0.021 119.094 119.300 -0.379 0.000 2.398 334 C HA -0.238 4.222 4.460 -0.000 0.000 0.276 334 C C 2.927 177.644 174.990 -0.455 0.000 1.222 334 C CA 1.786 60.478 59.018 -0.544 0.000 1.746 334 C CB -1.505 25.946 27.740 -0.481 0.000 2.039 334 C HN 0.412 nan 8.230 nan 0.000 0.470 335 S N 0.936 116.443 115.700 -0.322 0.000 2.368 335 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 335 S C 1.681 176.118 174.600 -0.270 0.000 1.030 335 S CA 1.351 59.403 58.200 -0.247 0.000 0.999 335 S CB -0.373 62.725 63.200 -0.171 0.000 0.844 335 S HN 0.574 nan 8.310 nan 0.000 0.459 336 L N 0.815 121.852 121.223 -0.310 0.000 2.056 336 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 336 L C 2.341 178.970 176.870 -0.402 0.000 1.078 336 L CA 0.799 55.458 54.840 -0.303 0.000 0.749 336 L CB -0.835 41.069 42.059 -0.258 0.000 0.901 336 L HN 0.187 nan 8.230 nan 0.000 0.433 337 V N -0.232 119.299 119.914 -0.638 0.000 2.295 337 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 337 V C 2.515 178.328 176.094 -0.467 0.000 1.049 337 V CA 1.780 63.675 62.300 -0.675 0.000 1.024 337 V CB -0.595 30.612 31.823 -1.027 0.000 0.648 337 V HN 0.469 nan 8.190 nan 0.000 0.447 338 Q N -0.271 119.290 119.800 -0.399 0.000 2.112 338 Q HA -0.287 4.053 4.340 -0.000 0.000 0.206 338 Q C 2.380 178.248 176.000 -0.220 0.000 0.987 338 Q CA 2.191 57.828 55.803 -0.277 0.000 0.858 338 Q CB -0.264 28.338 28.738 -0.227 0.000 0.905 338 Q HN 0.575 nan 8.270 nan 0.000 0.420 339 K N 0.148 120.421 120.400 -0.211 0.000 2.001 339 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 339 K C 1.660 178.168 176.600 -0.153 0.000 1.048 339 K CA 1.240 57.432 56.287 -0.159 0.000 0.932 339 K CB 0.276 32.692 32.500 -0.139 0.000 0.715 339 K HN 0.074 nan 8.250 nan 0.000 0.437 340 E N -0.062 120.029 120.200 -0.182 0.000 2.307 340 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 340 E C 1.894 178.400 176.600 -0.156 0.000 0.975 340 E CA 0.380 56.692 56.400 -0.147 0.000 0.878 340 E CB 0.471 30.090 29.700 -0.136 0.000 0.845 340 E HN 0.321 nan 8.360 nan 0.000 0.488 341 I N 0.241 120.670 120.570 -0.235 0.000 2.899 341 I HA 0.002 4.172 4.170 -0.000 0.000 0.257 341 I C 2.267 178.226 176.117 -0.263 0.000 1.115 341 I CA 0.487 61.619 61.300 -0.280 0.000 1.451 341 I CB -0.905 36.786 38.000 -0.515 0.000 1.251 341 I HN 0.009 nan 8.210 nan 0.000 0.456 342 L N 1.483 122.536 121.223 -0.284 0.000 2.465 342 L HA -0.105 4.235 4.340 -0.000 0.000 0.224 342 L C 2.310 179.096 176.870 -0.140 0.000 1.145 342 L CA 0.657 55.364 54.840 -0.222 0.000 0.834 342 L CB -0.592 41.333 42.059 -0.224 0.000 0.944 342 L HN 0.351 nan 8.230 nan 0.000 0.451 343 K N -0.176 120.148 120.400 -0.127 0.000 2.362 343 K HA -0.032 4.288 4.320 -0.000 0.000 0.200 343 K C 0.450 177.011 176.600 -0.065 0.000 1.046 343 K CA 0.575 56.809 56.287 -0.088 0.000 0.952 343 K CB -0.004 32.447 32.500 -0.082 0.000 0.753 343 K HN 0.212 nan 8.250 nan 0.000 0.466 344 E N 1.420 121.582 120.200 -0.063 0.000 2.349 344 E HA -0.014 4.335 4.350 -0.000 0.000 0.265 344 E C 0.165 176.748 176.600 -0.028 0.000 1.064 344 E CA -0.204 56.174 56.400 -0.037 0.000 0.886 344 E CB 1.012 30.702 29.700 -0.016 0.000 1.036 344 E HN 0.114 nan 8.360 nan 0.000 0.413 345 N N 1.656 120.342 118.700 -0.024 0.000 2.080 345 N HA -0.106 4.634 4.740 -0.000 0.000 0.189 345 N C 0.213 175.725 175.510 0.002 0.000 1.036 345 N CA 1.041 54.081 53.050 -0.017 0.000 0.846 345 N CB 0.065 38.538 38.487 -0.023 0.000 1.015 345 N HN 0.353 nan 8.380 nan 0.000 0.423 346 L N 2.292 123.519 121.223 0.007 0.000 2.302 346 L HA 0.303 4.643 4.340 -0.000 0.000 0.285 346 L C -0.007 176.964 176.870 0.168 0.000 1.090 346 L CA -0.381 54.502 54.840 0.072 0.000 0.866 346 L CB 0.658 42.712 42.059 -0.010 0.000 1.244 346 L HN 0.114 nan 8.230 nan 0.000 0.435 347 R N 2.343 122.917 120.500 0.124 0.000 2.491 347 R HA 0.104 4.444 4.340 -0.000 0.000 0.283 347 R C 1.073 177.453 176.300 0.133 0.000 1.072 347 R CA -0.200 55.940 56.100 0.068 0.000 1.048 347 R CB 1.228 31.506 30.300 -0.037 0.000 0.983 347 R HN 0.632 nan 8.270 nan 0.000 0.450 348 M N 2.946 122.594 119.600 0.079 0.000 2.175 348 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 348 M C -0.384 175.998 176.300 0.138 0.000 1.063 348 M CA 1.808 57.110 55.300 0.002 0.000 1.119 348 M CB 0.328 33.006 32.600 0.130 0.000 1.377 348 M HN 0.572 nan 8.290 nan 0.000 0.415 349 F N -2.333 117.629 119.950 0.019 0.000 2.745 349 F HA 0.619 5.146 4.527 -0.000 0.000 0.316 349 F C -1.320 174.503 175.800 0.039 0.000 1.155 349 F CA -1.429 56.596 58.000 0.041 0.000 0.937 349 F CB 0.670 39.725 39.000 0.092 0.000 1.361 349 F HN -0.298 nan 8.300 nan 0.000 0.472 350 E N 1.488 121.839 120.200 0.252 0.000 2.202 350 E HA 0.566 4.916 4.350 -0.000 0.000 0.272 350 E C -1.653 175.078 176.600 0.218 0.000 0.951 350 E CA -0.808 55.659 56.400 0.113 0.000 0.813 350 E CB 2.667 32.429 29.700 0.104 0.000 1.151 350 E HN 0.703 nan 8.360 nan 0.000 0.398 351 L N 2.628 123.895 121.223 0.074 0.000 2.406 351 L HA 0.350 4.690 4.340 -0.000 0.000 0.270 351 L C -1.048 175.855 176.870 0.055 0.000 0.982 351 L CA -0.794 54.111 54.840 0.109 0.000 0.843 351 L CB 1.474 43.533 42.059 0.001 0.000 1.225 351 L HN 0.349 nan 8.230 nan 0.000 0.412 352 V N 1.942 121.912 119.914 0.094 0.000 2.960 352 V HA 0.609 4.729 4.120 -0.000 0.000 0.315 352 V C 0.547 176.690 176.094 0.082 0.000 1.087 352 V CA -0.559 61.780 62.300 0.065 0.000 0.982 352 V CB 1.755 33.613 31.823 0.059 0.000 1.039 352 V HN 0.808 nan 8.190 nan 0.000 0.437 353 Q N 2.066 121.905 119.800 0.064 0.000 2.020 353 Q HA 0.149 4.489 4.340 -0.000 0.000 0.198 353 Q C 0.690 176.747 176.000 0.095 0.000 0.974 353 Q CA 1.762 57.612 55.803 0.077 0.000 0.829 353 Q CB 0.077 28.848 28.738 0.054 0.000 0.894 353 Q HN 0.812 nan 8.270 nan 0.000 0.433 354 K N -0.229 120.223 120.400 0.086 0.000 2.166 354 K HA 0.228 4.548 4.320 -0.000 0.000 0.245 354 K C -0.986 175.687 176.600 0.122 0.000 0.967 354 K CA -0.970 55.381 56.287 0.107 0.000 0.863 354 K CB 0.993 33.548 32.500 0.091 0.000 1.107 354 K HN 0.161 nan 8.250 nan 0.000 0.436 355 H N 2.918 122.029 119.070 0.070 0.000 2.929 355 H HA 0.055 4.611 4.556 -0.000 0.000 0.317 355 H C -1.925 173.448 175.328 0.074 0.000 1.031 355 H CA -0.881 55.212 56.048 0.075 0.000 1.466 355 H CB 0.373 30.169 29.762 0.058 0.000 1.482 355 H HN 0.219 nan 8.280 nan 0.000 0.561 356 P HA -0.107 nan 4.420 nan 0.000 0.258 356 P C -0.304 177.067 177.300 0.117 0.000 1.172 356 P CA 0.234 63.326 63.100 -0.012 0.000 0.762 356 P CB 0.507 32.167 31.700 -0.066 0.000 0.764 357 S N 2.857 118.629 115.700 0.119 0.000 2.546 357 S HA 0.009 4.479 4.470 -0.000 0.000 0.290 357 S C -0.094 174.605 174.600 0.165 0.000 1.290 357 S CA -0.054 58.229 58.200 0.139 0.000 1.069 357 S CB -0.402 62.858 63.200 0.100 0.000 0.846 357 S HN 0.477 nan 8.310 nan 0.000 0.495 358 H N 5.371 124.480 119.070 0.066 0.000 2.572 358 H HA 0.300 4.856 4.556 -0.000 0.000 0.359 358 H C 0.138 175.480 175.328 0.023 0.000 1.134 358 H CA -0.815 55.240 56.048 0.011 0.000 1.187 358 H CB 0.962 30.667 29.762 -0.096 0.000 1.597 358 H HN 0.844 nan 8.280 nan 0.000 0.524 359 W N 0.000 121.143 121.300 -0.262 0.000 2.388 359 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 359 W CA 0.000 57.298 57.345 -0.079 0.000 1.226 359 W CB 0.000 29.370 29.460 -0.149 0.000 1.126 359 W HN 0.000 nan 8.180 nan 0.000 0.535