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 3bju_1_C DATA FIRST_RESID 72 DATA SEQUENCE DPNQYYKIRS QAIHQLKVNG EDPYPHKFHV DISLTDFIQK YSHLQPGDHL DATA SEQUENCE TDITLKVAGR IHAKRASGGK LIFYDLRGEG VKLQVMANSR NYKSEEEFIH DATA SEQUENCE INNKLRRGDI IGVQGNPGKT KKGELSIIPY EITLLSPCLH MLPHXXXGLK DATA SEQUENCE DKETRYRQRY LDLILNDFVR QKFIIRSKII TYIRSFLDEL GFLEIETPMM DATA SEQUENCE NIIPGGAVAK PFITYHNELD MNLYMRIAPE LYHKMLVVGG IDRVYEIGRQ DATA SEQUENCE FRNEGIDLTH NPEFTTCEFY MAYADYHDLM EITEKMVSGM VKHITGSYKV DATA SEQUENCE TYHPDGPEGQ AYDVDFTPPF RRINMVEELE KALGMKLPET NLFETEETRK DATA SEQUENCE ILDDICVAKA VECPPPRTTA RLLDKLVGEF LEVTCINPTF ICDHPQIMSP DATA SEQUENCE LAKWHRSKEG LTERFELFVM KKEICNAYTE LNDPMRQRQL FEEQAKAKAA DATA SEQUENCE GDDEAMFIDE NFCTALEYGL PPTAGWGMGI DRVAMFLTDS NNIKEVLLFP DATA SEQUENCE AMKP 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 72 D HA 0.000 nan 4.640 nan 0.000 0.175 72 D C 0.000 176.388 176.300 0.146 0.000 2.045 72 D CA 0.000 54.059 54.000 0.098 0.000 0.868 72 D CB 0.000 40.850 40.800 0.083 0.000 0.688 73 P HA -0.188 nan 4.420 nan 0.000 0.217 73 P C 1.134 178.589 177.300 0.258 0.000 1.162 73 P CA 1.119 64.316 63.100 0.162 0.000 0.901 73 P CB 0.381 32.138 31.700 0.096 0.000 0.793 74 N N -0.542 118.281 118.700 0.204 0.000 2.166 74 N HA -0.163 4.578 4.740 0.001 0.000 0.186 74 N C 1.955 177.606 175.510 0.235 0.000 1.019 74 N CA 1.146 54.340 53.050 0.240 0.000 0.856 74 N CB -0.697 37.889 38.487 0.164 0.000 0.993 74 N HN 0.206 nan 8.380 nan 0.000 0.426 75 Q N 0.109 120.014 119.800 0.175 0.000 2.079 75 Q HA -0.100 4.241 4.340 0.001 0.000 0.200 75 Q C 1.925 178.004 176.000 0.131 0.000 0.974 75 Q CA 1.184 57.059 55.803 0.121 0.000 0.840 75 Q CB -0.639 28.155 28.738 0.094 0.000 0.898 75 Q HN 0.428 nan 8.270 nan 0.000 0.430 76 Y N -0.237 120.110 120.300 0.079 0.000 2.040 76 Y HA -0.379 4.171 4.550 0.001 0.000 0.275 76 Y C 2.146 178.094 175.900 0.080 0.000 1.171 76 Y CA 2.459 60.603 58.100 0.073 0.000 1.123 76 Y CB -0.776 37.740 38.460 0.094 0.000 0.963 76 Y HN 0.363 nan 8.280 nan 0.000 0.493 77 Y N 1.451 121.851 120.300 0.166 0.000 2.114 77 Y HA -0.326 4.225 4.550 0.001 0.000 0.282 77 Y C 2.585 178.436 175.900 -0.081 0.000 1.165 77 Y CA 2.431 60.525 58.100 -0.010 0.000 1.148 77 Y CB -0.813 37.655 38.460 0.014 0.000 0.972 77 Y HN 0.222 nan 8.280 nan 0.000 0.504 78 K N 0.132 120.403 120.400 -0.215 0.000 2.032 78 K HA -0.192 4.128 4.320 0.001 0.000 0.209 78 K C 2.128 178.577 176.600 -0.252 0.000 1.048 78 K CA 2.123 58.229 56.287 -0.301 0.000 0.927 78 K CB -0.446 31.979 32.500 -0.124 0.000 0.712 78 K HN 0.477 nan 8.250 nan 0.000 0.441 79 I N 0.596 121.050 120.570 -0.193 0.000 2.202 79 I HA -0.251 3.920 4.170 0.001 0.000 0.242 79 I C 2.803 178.775 176.117 -0.243 0.000 1.091 79 I CA 0.866 62.050 61.300 -0.194 0.000 1.368 79 I CB -0.200 37.691 38.000 -0.181 0.000 1.058 79 I HN 0.169 nan 8.210 nan 0.000 0.410 80 R N 0.591 120.888 120.500 -0.338 0.000 2.092 80 R HA -0.075 4.266 4.340 0.001 0.000 0.231 80 R C 2.407 178.583 176.300 -0.207 0.000 1.119 80 R CA 1.328 57.241 56.100 -0.311 0.000 0.970 80 R CB -0.542 29.507 30.300 -0.419 0.000 0.864 80 R HN 0.274 nan 8.270 nan 0.000 0.440 81 S N 1.032 116.576 115.700 -0.261 0.000 2.382 81 S HA -0.137 4.334 4.470 0.001 0.000 0.228 81 S C 1.854 176.377 174.600 -0.130 0.000 1.027 81 S CA 1.096 59.156 58.200 -0.234 0.000 0.991 81 S CB -0.040 62.872 63.200 -0.480 0.000 0.823 81 S HN 0.421 nan 8.310 nan 0.000 0.469 82 Q N 0.380 120.096 119.800 -0.140 0.000 2.123 82 Q HA 0.061 4.401 4.340 0.001 0.000 0.199 82 Q C 2.502 178.494 176.000 -0.013 0.000 0.966 82 Q CA 1.111 56.882 55.803 -0.055 0.000 0.845 82 Q CB -0.277 28.414 28.738 -0.080 0.000 0.907 82 Q HN 0.589 nan 8.270 nan 0.000 0.439 83 A N 1.362 124.142 122.820 -0.066 0.000 1.873 83 A HA -0.177 4.144 4.320 0.001 0.000 0.215 83 A C 2.084 179.638 177.584 -0.049 0.000 1.186 83 A CA 1.565 53.563 52.037 -0.065 0.000 0.616 83 A CB -0.595 18.345 19.000 -0.101 0.000 0.823 83 A HN 0.471 nan 8.150 nan 0.000 0.442 84 I N -2.640 117.902 120.570 -0.046 0.000 2.546 84 I HA -0.071 4.099 4.170 0.001 0.000 0.255 84 I C 2.032 178.166 176.117 0.029 0.000 1.163 84 I CA 2.280 63.560 61.300 -0.033 0.000 1.457 84 I CB -0.933 37.033 38.000 -0.057 0.000 1.092 84 I HN 0.392 nan 8.210 nan 0.000 0.434 85 H N 1.017 120.068 119.070 -0.031 0.000 2.352 85 H HA -0.204 4.352 4.556 0.001 0.000 0.299 85 H C 2.218 177.536 175.328 -0.017 0.000 1.097 85 H CA 2.475 58.513 56.048 -0.017 0.000 1.311 85 H CB -0.204 29.535 29.762 -0.037 0.000 1.377 85 H HN 0.619 nan 8.280 nan 0.000 0.504 86 Q N 0.015 119.753 119.800 -0.104 0.000 2.084 86 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 86 Q C 2.374 178.299 176.000 -0.123 0.000 0.978 86 Q CA 1.564 57.288 55.803 -0.133 0.000 0.844 86 Q CB -0.060 28.646 28.738 -0.053 0.000 0.898 86 Q HN 0.563 nan 8.270 nan 0.000 0.426 87 L N 0.491 121.663 121.223 -0.085 0.000 2.013 87 L HA -0.262 4.078 4.340 0.001 0.000 0.212 87 L C 2.568 179.398 176.870 -0.067 0.000 1.073 87 L CA 1.613 56.414 54.840 -0.065 0.000 0.753 87 L CB -0.444 41.575 42.059 -0.067 0.000 0.890 87 L HN 0.178 nan 8.230 nan 0.000 0.432 88 K N -0.095 120.257 120.400 -0.080 0.000 1.987 88 K HA -0.203 4.117 4.320 0.001 0.000 0.216 88 K C 1.905 178.439 176.600 -0.109 0.000 1.051 88 K CA 2.098 58.342 56.287 -0.071 0.000 0.942 88 K CB -0.492 31.973 32.500 -0.059 0.000 0.722 88 K HN 0.299 nan 8.250 nan 0.000 0.444 89 V N -0.432 119.352 119.914 -0.216 0.000 2.594 89 V HA -0.170 3.951 4.120 0.001 0.000 0.253 89 V C 1.015 177.055 176.094 -0.091 0.000 1.069 89 V CA 1.792 63.992 62.300 -0.166 0.000 1.082 89 V CB -0.644 31.040 31.823 -0.232 0.000 0.680 89 V HN 0.223 nan 8.190 nan 0.000 0.469 90 N N 1.131 119.782 118.700 -0.082 0.000 2.398 90 N HA 0.241 4.982 4.740 0.001 0.000 0.188 90 N C 1.457 176.952 175.510 -0.026 0.000 1.122 90 N CA 0.933 53.956 53.050 -0.045 0.000 0.866 90 N CB 0.412 38.876 38.487 -0.039 0.000 0.970 90 N HN 0.798 nan 8.380 nan 0.000 0.462 91 G N 0.667 109.452 108.800 -0.025 0.000 2.182 91 G HA2 -0.242 3.719 3.960 0.001 0.000 0.248 91 G HA3 -0.242 3.719 3.960 0.001 0.000 0.248 91 G C 0.561 175.465 174.900 0.007 0.000 1.042 91 G CA -0.051 45.047 45.100 -0.003 0.000 0.775 91 G HN 0.242 nan 8.290 nan 0.000 0.501 92 E N 0.129 120.328 120.200 -0.001 0.000 2.489 92 E HA 0.123 4.474 4.350 0.001 0.000 0.193 92 E C 0.893 177.495 176.600 0.004 0.000 1.057 92 E CA 0.581 56.984 56.400 0.005 0.000 0.866 92 E CB 0.005 29.704 29.700 -0.002 0.000 0.916 92 E HN 0.625 nan 8.360 nan 0.000 0.500 93 D N 0.435 120.845 120.400 0.017 0.000 2.746 93 D HA -0.133 4.508 4.640 0.001 0.000 0.241 93 D C -1.722 174.566 176.300 -0.020 0.000 1.140 93 D CA 0.483 54.505 54.000 0.035 0.000 0.707 93 D CB -0.067 40.770 40.800 0.062 0.000 1.034 93 D HN 0.168 nan 8.370 nan 0.000 0.423 94 P HA -0.094 nan 4.420 nan 0.000 0.237 94 P C -0.024 177.000 177.300 -0.460 0.000 1.178 94 P CA 0.867 63.801 63.100 -0.277 0.000 0.766 94 P CB -0.016 31.469 31.700 -0.359 0.000 0.876 95 Y N 1.590 121.865 120.300 -0.041 0.000 2.747 95 Y HA 0.342 4.892 4.550 0.001 0.000 0.362 95 Y C -1.942 173.912 175.900 -0.076 0.000 1.026 95 Y CA -2.833 55.229 58.100 -0.063 0.000 1.135 95 Y CB 0.281 38.693 38.460 -0.081 0.000 1.175 95 Y HN -0.004 nan 8.280 nan 0.000 0.643 96 P HA 0.018 nan 4.420 nan 0.000 0.269 96 P C 0.181 177.531 177.300 0.084 0.000 1.215 96 P CA 0.286 63.445 63.100 0.098 0.000 0.780 96 P CB 1.419 33.182 31.700 0.105 0.000 0.898 97 H N -0.110 119.015 119.070 0.092 0.000 2.395 97 H HA 0.045 4.601 4.556 0.001 0.000 0.299 97 H C 0.709 176.093 175.328 0.093 0.000 1.070 97 H CA 1.609 57.706 56.048 0.083 0.000 1.356 97 H CB 0.165 29.965 29.762 0.063 0.000 1.401 97 H HN 0.258 nan 8.280 nan 0.000 0.524 98 K N -0.244 120.295 120.400 0.232 0.000 2.565 98 K HA 0.251 4.572 4.320 0.001 0.000 0.251 98 K C -2.251 174.491 176.600 0.236 0.000 0.956 98 K CA -0.573 55.832 56.287 0.197 0.000 0.809 98 K CB 0.693 33.284 32.500 0.153 0.000 1.267 98 K HN -0.015 nan 8.250 nan 0.000 0.438 99 F N 4.080 124.079 119.950 0.083 0.000 2.477 99 F HA 0.367 4.895 4.527 0.001 0.000 0.335 99 F C -0.805 175.055 175.800 0.100 0.000 1.130 99 F CA -0.824 57.226 58.000 0.082 0.000 0.948 99 F CB 1.087 40.116 39.000 0.048 0.000 1.154 99 F HN 0.768 nan 8.300 nan 0.000 0.439 100 H N 5.335 124.112 119.070 -0.489 0.000 2.944 100 H HA 0.447 5.004 4.556 0.001 0.000 0.278 100 H C -1.085 174.027 175.328 -0.360 0.000 1.083 100 H CA -0.031 55.822 56.048 -0.324 0.000 1.479 100 H CB 0.495 30.106 29.762 -0.253 0.000 1.486 100 H HN 0.429 nan 8.280 nan 0.000 0.493 101 V N 6.188 125.853 119.914 -0.415 0.000 2.432 101 V HA 0.012 4.132 4.120 0.001 0.000 0.275 101 V C 0.674 176.553 176.094 -0.359 0.000 1.043 101 V CA -0.225 61.966 62.300 -0.180 0.000 0.925 101 V CB 1.538 33.368 31.823 0.012 0.000 0.985 101 V HN 0.910 nan 8.190 nan 0.000 0.466 102 D N 2.940 123.269 120.400 -0.118 0.000 2.240 102 D HA 0.256 4.897 4.640 0.001 0.000 0.206 102 D C 0.266 176.591 176.300 0.042 0.000 0.963 102 D CA 1.085 55.074 54.000 -0.020 0.000 0.863 102 D CB 0.948 41.808 40.800 0.100 0.000 0.973 102 D HN 0.452 nan 8.370 nan 0.000 0.501 103 I N -0.112 120.511 120.570 0.088 0.000 2.842 103 I HA 0.094 4.264 4.170 0.001 0.000 0.297 103 I C -0.736 175.465 176.117 0.141 0.000 1.380 103 I CA -0.534 60.849 61.300 0.137 0.000 1.018 103 I CB 1.917 40.057 38.000 0.233 0.000 1.311 103 I HN -0.135 nan 8.210 nan 0.000 0.439 104 S N 5.917 121.691 115.700 0.124 0.000 2.645 104 S HA 0.388 4.859 4.470 0.001 0.000 0.266 104 S C 1.046 175.733 174.600 0.145 0.000 1.258 104 S CA -0.652 57.611 58.200 0.106 0.000 0.990 104 S CB 1.310 64.558 63.200 0.080 0.000 0.967 104 S HN 0.675 nan 8.310 nan 0.000 0.556 105 L N 0.590 121.870 121.223 0.094 0.000 2.056 105 L HA -0.086 4.255 4.340 0.001 0.000 0.207 105 L C 2.908 179.868 176.870 0.150 0.000 1.078 105 L CA 1.456 56.347 54.840 0.086 0.000 0.749 105 L CB -1.383 40.687 42.059 0.018 0.000 0.901 105 L HN 0.789 nan 8.230 nan 0.000 0.433 106 T N -0.733 113.889 114.554 0.113 0.000 2.684 106 T HA -0.193 4.157 4.350 0.001 0.000 0.267 106 T C 1.431 176.207 174.700 0.126 0.000 1.036 106 T CA 1.674 63.837 62.100 0.105 0.000 1.148 106 T CB -0.250 68.661 68.868 0.072 0.000 0.863 106 T HN 0.298 nan 8.240 nan 0.000 0.436 107 D N 0.092 120.571 120.400 0.132 0.000 2.219 107 D HA 0.025 4.666 4.640 0.001 0.000 0.205 107 D C 1.588 177.982 176.300 0.156 0.000 0.970 107 D CA 0.391 54.458 54.000 0.112 0.000 0.851 107 D CB -0.369 40.487 40.800 0.093 0.000 0.943 107 D HN 0.384 nan 8.370 nan 0.000 0.488 108 F N 0.947 120.958 119.950 0.102 0.000 2.146 108 F HA -0.078 4.450 4.527 0.002 0.000 0.298 108 F C 2.051 177.964 175.800 0.189 0.000 1.096 108 F CA 1.061 59.182 58.000 0.200 0.000 1.275 108 F CB 0.030 39.146 39.000 0.192 0.000 1.008 108 F HN -0.151 nan 8.300 nan 0.000 0.480 109 I N 0.077 120.897 120.570 0.416 0.000 2.315 109 I HA -0.272 3.899 4.170 0.001 0.000 0.248 109 I C 2.430 178.623 176.117 0.126 0.000 1.117 109 I CA 1.310 62.779 61.300 0.282 0.000 1.404 109 I CB -0.627 37.498 38.000 0.208 0.000 1.071 109 I HN 0.268 nan 8.210 nan 0.000 0.419 110 Q N 1.285 121.130 119.800 0.075 0.000 2.119 110 Q HA -0.246 4.095 4.340 0.001 0.000 0.201 110 Q C 2.208 178.170 176.000 -0.063 0.000 0.972 110 Q CA 1.609 57.420 55.803 0.013 0.000 0.847 110 Q CB 0.089 28.832 28.738 0.008 0.000 0.903 110 Q HN 0.328 nan 8.270 nan 0.000 0.433 111 K N -1.261 119.025 120.400 -0.191 0.000 2.305 111 K HA -0.071 4.250 4.320 0.001 0.000 0.199 111 K C 0.356 176.543 176.600 -0.687 0.000 1.047 111 K CA 0.731 56.722 56.287 -0.493 0.000 0.976 111 K CB 0.338 32.397 32.500 -0.735 0.000 0.765 111 K HN 0.270 nan 8.250 nan 0.000 0.474 112 Y N -0.768 119.480 120.300 -0.088 0.000 2.527 112 Y HA 0.091 4.641 4.550 0.000 0.000 0.247 112 Y C 1.776 177.558 175.900 -0.196 0.000 1.138 112 Y CA -0.207 57.757 58.100 -0.226 0.000 1.228 112 Y CB 0.870 39.060 38.460 -0.450 0.000 1.252 112 Y HN 0.079 nan 8.280 nan 0.000 0.531 113 S N -0.539 115.194 115.700 0.055 0.000 2.442 113 S HA -0.273 4.198 4.470 0.001 0.000 0.236 113 S C 1.486 176.109 174.600 0.037 0.000 1.007 113 S CA 1.736 59.974 58.200 0.064 0.000 0.965 113 S CB -0.897 62.353 63.200 0.083 0.000 0.773 113 S HN 0.768 nan 8.310 nan 0.000 0.504 114 H N 0.591 119.685 119.070 0.040 0.000 2.559 114 H HA 0.396 4.953 4.556 0.001 0.000 0.273 114 H C 0.572 175.932 175.328 0.052 0.000 1.000 114 H CA -0.164 55.904 56.048 0.033 0.000 1.195 114 H CB -0.629 29.138 29.762 0.008 0.000 1.368 114 H HN 0.315 nan 8.280 nan 0.000 0.592 115 L N 1.501 122.500 121.223 -0.373 0.000 2.473 115 L HA 0.040 4.380 4.340 0.001 0.000 0.268 115 L C 0.438 177.287 176.870 -0.034 0.000 1.215 115 L CA -0.231 54.481 54.840 -0.213 0.000 0.823 115 L CB 0.522 42.477 42.059 -0.172 0.000 1.099 115 L HN 0.401 nan 8.230 nan 0.000 0.483 116 Q N 1.575 121.379 119.800 0.007 0.000 2.230 116 Q HA 0.355 4.695 4.340 0.001 0.000 0.248 116 Q C -2.238 173.778 176.000 0.028 0.000 0.915 116 Q CA -2.228 53.592 55.803 0.028 0.000 0.900 116 Q CB 0.666 29.428 28.738 0.040 0.000 1.229 116 Q HN 0.261 nan 8.270 nan 0.000 0.439 117 P HA -0.015 nan 4.420 nan 0.000 0.262 117 P C 0.655 177.979 177.300 0.040 0.000 1.182 117 P CA 1.277 64.397 63.100 0.033 0.000 0.761 117 P CB 0.303 32.021 31.700 0.029 0.000 0.795 118 G N 1.918 110.747 108.800 0.048 0.000 2.217 118 G HA2 -0.202 3.759 3.960 0.001 0.000 0.246 118 G HA3 -0.202 3.759 3.960 0.001 0.000 0.246 118 G C 0.064 175.009 174.900 0.076 0.000 0.990 118 G CA -0.233 44.903 45.100 0.060 0.000 0.627 118 G HN 0.496 nan 8.290 nan 0.000 0.522 119 D N 0.153 120.592 120.400 0.066 0.000 2.400 119 D HA 0.513 5.153 4.640 0.001 0.000 0.238 119 D C 0.356 176.735 176.300 0.133 0.000 1.157 119 D CA 0.768 54.816 54.000 0.080 0.000 0.889 119 D CB 0.418 41.244 40.800 0.045 0.000 1.199 119 D HN 0.563 nan 8.370 nan 0.000 0.436 120 H N 0.850 119.925 119.070 0.008 0.000 3.289 120 H HA 0.244 4.801 4.556 0.001 0.000 0.330 120 H C -0.920 174.404 175.328 -0.005 0.000 1.187 120 H CA -0.637 55.415 56.048 0.007 0.000 1.601 120 H CB 0.150 29.923 29.762 0.020 0.000 1.997 120 H HN 0.173 nan 8.280 nan 0.000 0.489 121 L N 4.136 125.495 121.223 0.227 0.000 2.410 121 L HA 0.072 4.413 4.340 0.001 0.000 0.273 121 L C 1.453 178.365 176.870 0.071 0.000 1.152 121 L CA 0.243 55.136 54.840 0.089 0.000 0.855 121 L CB 1.375 43.435 42.059 0.002 0.000 1.129 121 L HN 0.677 nan 8.230 nan 0.000 0.463 122 T N -1.175 113.374 114.554 -0.007 0.000 3.014 122 T HA 0.005 4.355 4.350 0.001 0.000 0.250 122 T C 0.811 175.499 174.700 -0.021 0.000 1.060 122 T CA 0.418 62.491 62.100 -0.045 0.000 1.040 122 T CB 0.040 68.858 68.868 -0.084 0.000 0.971 122 T HN 0.766 nan 8.240 nan 0.000 0.497 123 D N 0.348 120.746 120.400 -0.003 0.000 2.402 123 D HA 0.293 4.934 4.640 0.001 0.000 0.216 123 D C -0.265 176.042 176.300 0.012 0.000 1.128 123 D CA -0.214 53.788 54.000 0.002 0.000 0.833 123 D CB 0.031 40.838 40.800 0.011 0.000 0.971 123 D HN 0.349 nan 8.370 nan 0.000 0.503 124 I N 0.820 121.394 120.570 0.007 0.000 2.500 124 I HA 0.284 4.455 4.170 0.001 0.000 0.286 124 I C -0.691 175.430 176.117 0.005 0.000 1.063 124 I CA -0.412 60.892 61.300 0.007 0.000 1.062 124 I CB 2.355 40.351 38.000 -0.007 0.000 1.223 124 I HN -0.045 nan 8.210 nan 0.000 0.435 125 T N 6.257 120.825 114.554 0.025 0.000 2.841 125 T HA 0.904 5.255 4.350 0.001 0.000 0.283 125 T C -0.876 173.873 174.700 0.081 0.000 1.000 125 T CA -0.497 61.630 62.100 0.046 0.000 0.977 125 T CB 0.939 69.818 68.868 0.018 0.000 0.979 125 T HN 0.360 nan 8.240 nan 0.000 0.446 126 L N 2.259 123.559 121.223 0.128 0.000 2.376 126 L HA 0.634 4.975 4.340 0.001 0.000 0.258 126 L C -0.255 176.726 176.870 0.185 0.000 1.013 126 L CA -1.181 53.761 54.840 0.170 0.000 0.822 126 L CB 2.543 44.754 42.059 0.254 0.000 1.388 126 L HN 0.570 nan 8.230 nan 0.000 0.413 127 K N 1.972 122.477 120.400 0.176 0.000 2.265 127 K HA 0.634 4.955 4.320 0.001 0.000 0.267 127 K C -0.838 175.908 176.600 0.244 0.000 0.994 127 K CA -0.537 55.887 56.287 0.227 0.000 0.860 127 K CB 2.206 34.755 32.500 0.082 0.000 1.099 127 K HN 0.447 nan 8.250 nan 0.000 0.448 128 V N -1.050 119.011 119.914 0.245 0.000 3.158 128 V HA 0.983 5.104 4.120 0.001 0.000 0.315 128 V C -0.835 175.330 176.094 0.118 0.000 1.148 128 V CA -0.904 61.483 62.300 0.144 0.000 1.042 128 V CB 1.777 33.589 31.823 -0.018 0.000 1.101 128 V HN 0.811 nan 8.190 nan 0.000 0.448 129 A N -0.346 122.491 122.820 0.028 0.000 2.606 129 A HA 1.071 5.392 4.320 0.001 0.000 0.293 129 A C -0.135 177.412 177.584 -0.062 0.000 1.082 129 A CA -0.065 51.928 52.037 -0.074 0.000 0.685 129 A CB 1.456 20.426 19.000 -0.050 0.000 1.284 129 A HN 2.535 nan 8.150 nan 0.000 0.408 130 G N -0.219 108.528 108.800 -0.089 0.000 2.340 130 G HA2 0.525 4.486 3.960 0.001 0.000 0.299 130 G HA3 0.525 4.486 3.960 0.001 0.000 0.299 130 G C -1.478 173.388 174.900 -0.056 0.000 1.291 130 G CA -0.681 44.388 45.100 -0.051 0.000 0.841 130 G HN 0.821 nan 8.290 nan 0.000 0.500 131 R N -0.165 120.324 120.500 -0.018 0.000 2.407 131 R HA 0.600 4.940 4.340 0.001 0.000 0.303 131 R C -0.188 176.127 176.300 0.024 0.000 0.981 131 R CA -0.779 55.319 56.100 -0.003 0.000 0.905 131 R CB 0.870 31.186 30.300 0.027 0.000 1.099 131 R HN 0.405 nan 8.270 nan 0.000 0.459 132 I N 5.084 125.663 120.570 0.015 0.000 2.578 132 I HA -0.073 4.098 4.170 0.001 0.000 0.286 132 I C 1.541 177.717 176.117 0.099 0.000 1.126 132 I CA 0.239 61.582 61.300 0.072 0.000 1.380 132 I CB 0.572 38.617 38.000 0.075 0.000 1.408 132 I HN 0.680 nan 8.210 nan 0.000 0.532 133 H N 6.901 125.996 119.070 0.042 0.000 2.465 133 H HA 0.323 4.879 4.556 0.001 0.000 0.289 133 H C 0.176 175.518 175.328 0.023 0.000 1.022 133 H CA 0.773 56.837 56.048 0.026 0.000 1.340 133 H CB 0.731 30.505 29.762 0.019 0.000 1.437 133 H HN 0.672 nan 8.280 nan 0.000 0.539 134 A N 0.556 123.433 122.820 0.094 0.000 2.574 134 A HA 0.485 4.806 4.320 0.001 0.000 0.297 134 A C -1.223 176.386 177.584 0.043 0.000 1.062 134 A CA -0.832 51.217 52.037 0.021 0.000 0.686 134 A CB 1.894 20.953 19.000 0.098 0.000 1.285 134 A HN 0.228 nan 8.150 nan 0.000 0.403 135 K N 1.594 121.972 120.400 -0.037 0.000 2.604 135 K HA 0.485 4.806 4.320 0.001 0.000 0.247 135 K C -0.929 175.583 176.600 -0.147 0.000 0.956 135 K CA -0.388 55.804 56.287 -0.160 0.000 0.896 135 K CB 1.070 33.505 32.500 -0.109 0.000 1.131 135 K HN 0.743 nan 8.250 nan 0.000 0.440 136 R N 3.281 123.701 120.500 -0.133 0.000 2.337 136 R HA 0.450 4.790 4.340 0.001 0.000 0.319 136 R C -1.050 175.243 176.300 -0.012 0.000 0.954 136 R CA -0.366 55.715 56.100 -0.033 0.000 0.840 136 R CB 1.431 31.751 30.300 0.034 0.000 1.164 136 R HN 0.658 nan 8.270 nan 0.000 0.472 137 A N 2.711 125.511 122.820 -0.034 0.000 2.388 137 A HA 0.307 4.627 4.320 0.001 0.000 0.257 137 A C -0.234 177.374 177.584 0.041 0.000 1.095 137 A CA -0.218 51.803 52.037 -0.028 0.000 0.791 137 A CB 1.187 20.164 19.000 -0.038 0.000 1.029 137 A HN 0.621 nan 8.150 nan 0.000 0.489 138 S N 1.455 117.183 115.700 0.047 0.000 2.158 138 S HA 0.551 5.022 4.470 0.001 0.000 0.160 138 S C 0.303 174.926 174.600 0.039 0.000 1.693 138 S CA 0.567 58.816 58.200 0.081 0.000 1.251 138 S CB -0.680 62.625 63.200 0.174 0.000 1.153 138 S HN 2.479 nan 8.310 nan 0.000 0.439 139 G N 1.964 110.782 108.800 0.029 0.000 2.855 139 G HA2 -0.140 3.821 3.960 0.001 0.000 0.352 139 G HA3 -0.140 3.821 3.960 0.001 0.000 0.352 139 G C 0.784 175.699 174.900 0.026 0.000 1.415 139 G CA -0.301 44.813 45.100 0.022 0.000 0.871 139 G HN 0.979 nan 8.290 nan 0.000 0.543 140 G N -0.814 108.004 108.800 0.031 0.000 2.598 140 G HA2 0.135 4.096 3.960 0.001 0.000 0.215 140 G HA3 0.135 4.096 3.960 0.001 0.000 0.215 140 G C 1.392 176.359 174.900 0.112 0.000 1.131 140 G CA 1.607 46.741 45.100 0.056 0.000 0.785 140 G HN 0.696 nan 8.290 nan 0.000 0.539 141 K N -1.225 119.207 120.400 0.054 0.000 2.367 141 K HA 0.391 4.712 4.320 0.001 0.000 0.194 141 K C -0.507 176.058 176.600 -0.058 0.000 1.027 141 K CA -0.148 56.127 56.287 -0.020 0.000 1.075 141 K CB 0.424 32.876 32.500 -0.080 0.000 0.845 141 K HN 0.240 nan 8.250 nan 0.000 0.529 142 L N 0.779 122.024 121.223 0.038 0.000 2.516 142 L HA 0.509 4.850 4.340 0.001 0.000 0.267 142 L C -1.800 175.005 176.870 -0.108 0.000 0.957 142 L CA -0.490 54.313 54.840 -0.063 0.000 0.860 142 L CB 1.324 43.294 42.059 -0.148 0.000 1.265 142 L HN -0.074 nan 8.230 nan 0.000 0.403 143 I N 4.166 124.636 120.570 -0.166 0.000 2.608 143 I HA 0.435 4.606 4.170 0.001 0.000 0.295 143 I C -1.172 174.655 176.117 -0.484 0.000 1.049 143 I CA -0.532 60.587 61.300 -0.303 0.000 1.063 143 I CB 2.097 39.899 38.000 -0.329 0.000 1.248 143 I HN 0.437 nan 8.210 nan 0.000 0.424 144 F N 4.158 123.971 119.950 -0.229 0.000 2.426 144 F HA 0.450 4.978 4.527 0.001 0.000 0.348 144 F C -0.573 175.050 175.800 -0.295 0.000 1.124 144 F CA -0.539 57.367 58.000 -0.157 0.000 1.008 144 F CB 1.116 40.069 39.000 -0.078 0.000 1.139 144 F HN 0.245 nan 8.300 nan 0.000 0.452 145 Y N 1.742 122.132 120.300 0.150 0.000 2.331 145 Y HA 0.196 4.746 4.550 0.001 0.000 0.338 145 Y C 0.082 176.034 175.900 0.087 0.000 0.976 145 Y CA -1.021 57.126 58.100 0.079 0.000 1.137 145 Y CB 0.969 39.438 38.460 0.015 0.000 1.172 145 Y HN 0.425 nan 8.280 nan 0.000 0.478 146 D N 4.255 124.784 120.400 0.214 0.000 2.352 146 D HA 0.117 4.758 4.640 0.001 0.000 0.245 146 D C -1.322 175.068 176.300 0.149 0.000 1.224 146 D CA -0.119 53.976 54.000 0.159 0.000 0.879 146 D CB 0.588 41.491 40.800 0.171 0.000 1.057 146 D HN 0.415 nan 8.370 nan 0.000 0.491 147 L N 5.075 126.351 121.223 0.088 0.000 2.282 147 L HA 0.458 4.798 4.340 0.001 0.000 0.288 147 L C -0.361 176.519 176.870 0.017 0.000 1.033 147 L CA -0.370 54.496 54.840 0.044 0.000 0.807 147 L CB 0.849 42.905 42.059 -0.005 0.000 1.209 147 L HN 0.271 nan 8.230 nan 0.000 0.423 148 R N 3.768 124.283 120.500 0.025 0.000 2.740 148 R HA 0.911 5.252 4.340 0.001 0.000 0.282 148 R C -0.726 175.579 176.300 0.009 0.000 0.969 148 R CA -0.965 55.142 56.100 0.011 0.000 0.918 148 R CB 2.113 32.422 30.300 0.014 0.000 1.175 148 R HN 0.834 nan 8.270 nan 0.000 0.464 149 G N 0.013 108.817 108.800 0.006 0.000 2.519 149 G HA2 0.252 4.213 3.960 0.001 0.000 0.292 149 G HA3 0.252 4.213 3.960 0.001 0.000 0.292 149 G C -0.891 174.019 174.900 0.018 0.000 1.507 149 G CA -0.856 44.252 45.100 0.012 0.000 0.806 149 G HN 0.647 nan 8.290 nan 0.000 0.523 150 E N -1.116 119.098 120.200 0.023 0.000 2.883 150 E HA -0.240 4.111 4.350 0.001 0.000 0.271 150 E C 1.408 178.024 176.600 0.026 0.000 1.049 150 E CA 1.509 57.927 56.400 0.029 0.000 0.817 150 E CB -1.341 28.380 29.700 0.035 0.000 1.407 150 E HN 2.498 nan 8.360 nan 0.000 0.434 151 G N -1.552 107.259 108.800 0.019 0.000 2.148 151 G HA2 -0.295 3.666 3.960 0.001 0.000 0.254 151 G HA3 -0.295 3.666 3.960 0.001 0.000 0.254 151 G C 0.197 175.104 174.900 0.011 0.000 0.981 151 G CA 0.243 45.352 45.100 0.015 0.000 0.670 151 G HN 0.421 nan 8.290 nan 0.000 0.528 152 V N -0.000 119.920 119.914 0.011 0.000 3.155 152 V HA 0.911 5.032 4.120 0.001 0.000 0.313 152 V C -0.054 176.040 176.094 -0.001 0.000 1.162 152 V CA -0.192 62.115 62.300 0.013 0.000 1.048 152 V CB 2.249 34.090 31.823 0.031 0.000 1.092 152 V HN 0.715 nan 8.190 nan 0.000 0.447 153 K N 1.754 122.154 120.400 0.001 0.000 2.477 153 K HA 0.777 5.098 4.320 0.001 0.000 0.255 153 K C -2.041 174.558 176.600 -0.003 0.000 0.952 153 K CA -0.726 55.554 56.287 -0.011 0.000 0.826 153 K CB 2.739 35.220 32.500 -0.032 0.000 1.331 153 K HN 0.557 nan 8.250 nan 0.000 0.437 154 L N 2.219 123.431 121.223 -0.019 0.000 2.464 154 L HA 0.307 4.647 4.340 0.001 0.000 0.266 154 L C -1.235 175.628 176.870 -0.012 0.000 0.965 154 L CA -0.660 54.155 54.840 -0.042 0.000 0.833 154 L CB 2.484 44.442 42.059 -0.169 0.000 1.296 154 L HN 0.939 nan 8.230 nan 0.000 0.405 155 Q N 2.916 122.731 119.800 0.025 0.000 2.286 155 Q HA 0.380 4.720 4.340 0.001 0.000 0.257 155 Q C -1.441 174.617 176.000 0.095 0.000 0.941 155 Q CA -0.526 55.329 55.803 0.086 0.000 0.912 155 Q CB 1.562 30.366 28.738 0.110 0.000 1.192 155 Q HN 0.517 nan 8.270 nan 0.000 0.410 156 V N 6.387 126.393 119.914 0.154 0.000 2.318 156 V HA 0.183 4.304 4.120 0.001 0.000 0.271 156 V C 0.103 176.319 176.094 0.203 0.000 1.030 156 V CA -0.334 62.060 62.300 0.156 0.000 0.844 156 V CB 0.875 32.805 31.823 0.178 0.000 1.015 156 V HN 0.894 nan 8.190 nan 0.000 0.460 157 M N 5.513 125.196 119.600 0.138 0.000 2.725 157 M HA 0.492 4.972 4.480 0.001 0.000 0.322 157 M C 0.454 176.735 176.300 -0.031 0.000 1.393 157 M CA -0.368 54.932 55.300 0.001 0.000 1.452 157 M CB 0.149 32.783 32.600 0.057 0.000 1.242 157 M HN 0.695 nan 8.290 nan 0.000 0.487 158 A N 5.289 128.108 122.820 -0.003 0.000 2.539 158 A HA 0.228 4.548 4.320 0.001 0.000 0.306 158 A C -0.353 177.325 177.584 0.155 0.000 1.392 158 A CA -0.430 51.728 52.037 0.203 0.000 1.060 158 A CB -0.246 18.949 19.000 0.324 0.000 1.134 158 A HN 0.896 nan 8.150 nan 0.000 0.542 159 N N 2.268 120.978 118.700 0.016 0.000 2.421 159 N HA 0.113 4.854 4.740 0.001 0.000 0.285 159 N C 1.092 176.308 175.510 -0.490 0.000 1.027 159 N CA -0.091 52.840 53.050 -0.197 0.000 0.918 159 N CB 1.456 39.874 38.487 -0.115 0.000 1.152 159 N HN 0.471 nan 8.380 nan 0.000 0.485 160 S N 3.051 118.153 115.700 -0.997 0.000 2.387 160 S HA -0.108 4.362 4.470 0.001 0.000 0.230 160 S C 1.666 176.004 174.600 -0.437 0.000 1.035 160 S CA 1.331 58.787 58.200 -1.241 0.000 1.014 160 S CB 0.002 62.680 63.200 -0.870 0.000 0.836 160 S HN 0.610 nan 8.310 nan 0.000 0.466 161 R N 0.580 120.932 120.500 -0.246 0.000 2.189 161 R HA 0.107 4.448 4.340 0.001 0.000 0.223 161 R C 1.309 177.609 176.300 -0.000 0.000 1.092 161 R CA 1.089 57.135 56.100 -0.089 0.000 0.989 161 R CB -0.187 30.079 30.300 -0.056 0.000 0.876 161 R HN 0.471 nan 8.270 nan 0.000 0.457 162 N N -0.736 117.982 118.700 0.029 0.000 2.282 162 N HA -0.052 4.689 4.740 0.001 0.000 0.185 162 N C -0.037 175.585 175.510 0.187 0.000 1.099 162 N CA 0.135 53.266 53.050 0.134 0.000 0.878 162 N CB 0.298 38.889 38.487 0.174 0.000 0.993 162 N HN 0.083 nan 8.380 nan 0.000 0.481 163 Y N 3.353 123.660 120.300 0.012 0.000 2.357 163 Y HA -0.040 4.511 4.550 0.001 0.000 0.340 163 Y C 1.924 177.776 175.900 -0.081 0.000 1.260 163 Y CA -0.117 57.987 58.100 0.007 0.000 1.425 163 Y CB 0.824 39.367 38.460 0.137 0.000 1.326 163 Y HN -0.029 nan 8.280 nan 0.000 0.580 164 K N 0.540 120.472 120.400 -0.779 0.000 2.218 164 K HA -0.076 4.245 4.320 0.001 0.000 0.205 164 K C -0.101 176.446 176.600 -0.089 0.000 1.046 164 K CA 1.416 57.329 56.287 -0.624 0.000 0.933 164 K CB -0.252 31.634 32.500 -1.024 0.000 0.728 164 K HN 0.501 nan 8.250 nan 0.000 0.454 165 S N -1.263 114.494 115.700 0.095 0.000 2.578 165 S HA 0.166 4.637 4.470 0.001 0.000 0.272 165 S C 0.003 174.727 174.600 0.206 0.000 1.145 165 S CA -1.052 57.225 58.200 0.128 0.000 0.835 165 S CB 1.655 64.909 63.200 0.090 0.000 1.104 165 S HN 0.153 nan 8.310 nan 0.000 0.458 166 E N 0.816 121.087 120.200 0.118 0.000 2.208 166 E HA -0.118 4.233 4.350 0.001 0.000 0.193 166 E C 1.074 177.768 176.600 0.156 0.000 0.988 166 E CA 1.498 57.962 56.400 0.107 0.000 0.828 166 E CB -0.056 29.662 29.700 0.031 0.000 0.763 166 E HN 0.764 nan 8.360 nan 0.000 0.478 167 E N 1.123 121.396 120.200 0.121 0.000 2.112 167 E HA -0.107 4.244 4.350 0.001 0.000 0.190 167 E C 1.757 178.434 176.600 0.127 0.000 0.979 167 E CA 0.715 57.173 56.400 0.097 0.000 0.814 167 E CB -0.082 29.648 29.700 0.050 0.000 0.762 167 E HN 0.247 nan 8.360 nan 0.000 0.460 168 E N -0.147 120.158 120.200 0.176 0.000 2.208 168 E HA -0.120 4.231 4.350 0.001 0.000 0.193 168 E C 1.496 178.172 176.600 0.128 0.000 0.988 168 E CA 0.424 56.961 56.400 0.229 0.000 0.828 168 E CB -0.122 29.755 29.700 0.295 0.000 0.763 168 E HN 0.195 nan 8.360 nan 0.000 0.478 169 F N 1.429 121.319 119.950 -0.099 0.000 2.075 169 F HA -0.234 4.294 4.527 0.001 0.000 0.297 169 F C 1.889 177.533 175.800 -0.259 0.000 1.113 169 F CA 1.170 58.894 58.000 -0.460 0.000 1.218 169 F CB -0.006 38.828 39.000 -0.276 0.000 0.984 169 F HN -0.061 nan 8.300 nan 0.000 0.472 170 I N 0.205 120.776 120.570 0.001 0.000 2.127 170 I HA -0.319 3.852 4.170 0.001 0.000 0.241 170 I C 2.479 178.551 176.117 -0.074 0.000 1.075 170 I CA 1.963 63.235 61.300 -0.047 0.000 1.334 170 I CB -1.911 36.127 38.000 0.062 0.000 1.040 170 I HN 0.267 nan 8.210 nan 0.000 0.405 171 H N 0.866 119.871 119.070 -0.110 0.000 2.352 171 H HA -0.147 4.409 4.556 0.001 0.000 0.299 171 H C 2.111 177.354 175.328 -0.140 0.000 1.097 171 H CA 1.729 57.719 56.048 -0.095 0.000 1.311 171 H CB -0.121 29.613 29.762 -0.046 0.000 1.377 171 H HN 0.139 nan 8.280 nan 0.000 0.504 172 I N 0.474 120.884 120.570 -0.268 0.000 2.233 172 I HA -0.221 3.950 4.170 0.001 0.000 0.243 172 I C 1.241 177.148 176.117 -0.350 0.000 1.093 172 I CA 1.186 62.276 61.300 -0.350 0.000 1.380 172 I CB -0.609 37.225 38.000 -0.277 0.000 1.067 172 I HN 0.360 nan 8.210 nan 0.000 0.413 173 N N 1.530 119.979 118.700 -0.419 0.000 2.309 173 N HA -0.152 4.589 4.740 0.001 0.000 0.182 173 N C 1.281 176.673 175.510 -0.197 0.000 1.018 173 N CA 0.823 53.686 53.050 -0.312 0.000 0.876 173 N CB -0.465 37.720 38.487 -0.504 0.000 0.972 173 N HN 0.392 nan 8.380 nan 0.000 0.434 174 N N 1.030 119.611 118.700 -0.197 0.000 2.459 174 N HA -0.028 4.713 4.740 0.001 0.000 0.181 174 N C 1.377 176.806 175.510 -0.134 0.000 1.046 174 N CA 0.661 53.633 53.050 -0.130 0.000 0.904 174 N CB 0.105 38.540 38.487 -0.088 0.000 0.964 174 N HN 0.372 nan 8.380 nan 0.000 0.444 175 K N -0.202 120.083 120.400 -0.190 0.000 2.166 175 K HA 0.166 4.486 4.320 0.001 0.000 0.201 175 K C 0.397 176.913 176.600 -0.140 0.000 1.052 175 K CA 0.177 56.353 56.287 -0.186 0.000 0.969 175 K CB 0.308 32.653 32.500 -0.259 0.000 0.761 175 K HN 0.061 nan 8.250 nan 0.000 0.459 176 L N 2.333 123.480 121.223 -0.127 0.000 2.426 176 L HA 0.132 4.472 4.340 0.001 0.000 0.271 176 L C 0.370 177.239 176.870 -0.002 0.000 1.169 176 L CA -0.118 54.670 54.840 -0.086 0.000 0.836 176 L CB 0.417 42.408 42.059 -0.114 0.000 1.112 176 L HN 0.120 nan 8.230 nan 0.000 0.465 177 R N 1.912 122.420 120.500 0.013 0.000 2.867 177 R HA 0.409 4.750 4.340 0.001 0.000 0.268 177 R C -0.676 175.666 176.300 0.070 0.000 1.014 177 R CA -1.207 54.931 56.100 0.064 0.000 0.946 177 R CB 1.578 31.938 30.300 0.100 0.000 1.208 177 R HN 0.532 nan 8.270 nan 0.000 0.477 178 R N -0.095 120.441 120.500 0.060 0.000 2.583 178 R HA 0.096 4.437 4.340 0.001 0.000 0.274 178 R C 0.813 177.127 176.300 0.023 0.000 0.998 178 R CA 2.127 58.237 56.100 0.017 0.000 1.081 178 R CB -0.017 30.245 30.300 -0.064 0.000 0.940 178 R HN 0.871 nan 8.270 nan 0.000 0.413 179 G N 2.682 111.490 108.800 0.015 0.000 2.279 179 G HA2 -0.237 3.723 3.960 0.001 0.000 0.223 179 G HA3 -0.237 3.723 3.960 0.001 0.000 0.223 179 G C -0.421 174.494 174.900 0.024 0.000 1.015 179 G CA 0.107 45.225 45.100 0.031 0.000 0.621 179 G HN 0.665 nan 8.290 nan 0.000 0.506 180 D N 1.891 122.292 120.400 0.001 0.000 2.455 180 D HA 0.378 5.019 4.640 0.001 0.000 0.241 180 D C 1.114 177.373 176.300 -0.067 0.000 1.138 180 D CA 0.030 54.004 54.000 -0.044 0.000 0.877 180 D CB 0.610 41.359 40.800 -0.085 0.000 1.187 180 D HN 0.249 nan 8.370 nan 0.000 0.451 181 I N 3.760 124.284 120.570 -0.077 0.000 2.416 181 I HA 0.246 4.417 4.170 0.001 0.000 0.288 181 I C 0.728 176.743 176.117 -0.170 0.000 1.051 181 I CA -0.271 60.969 61.300 -0.099 0.000 1.375 181 I CB -0.215 37.745 38.000 -0.068 0.000 1.407 181 I HN 0.277 nan 8.210 nan 0.000 0.516 182 I N 1.970 122.411 120.570 -0.215 0.000 3.042 182 I HA 0.907 5.078 4.170 0.001 0.000 0.310 182 I C 0.006 175.863 176.117 -0.432 0.000 1.117 182 I CA -0.910 60.204 61.300 -0.310 0.000 1.003 182 I CB 2.352 40.159 38.000 -0.321 0.000 1.228 182 I HN 0.483 nan 8.210 nan 0.000 0.443 183 G N 2.205 110.603 108.800 -0.670 0.000 2.416 183 G HA2 0.643 4.604 3.960 0.001 0.000 0.329 183 G HA3 0.643 4.604 3.960 0.001 0.000 0.329 183 G C -1.220 173.398 174.900 -0.470 0.000 1.173 183 G CA -0.669 43.742 45.100 -1.147 0.000 0.929 183 G HN 0.495 nan 8.290 nan 0.000 0.475 184 V N 1.636 121.474 119.914 -0.126 0.000 2.525 184 V HA 0.393 4.514 4.120 0.001 0.000 0.299 184 V C -0.300 175.923 176.094 0.214 0.000 1.034 184 V CA -0.732 61.595 62.300 0.046 0.000 0.863 184 V CB 1.540 33.354 31.823 -0.016 0.000 0.999 184 V HN 0.840 nan 8.190 nan 0.000 0.423 185 Q N 3.016 122.954 119.800 0.230 0.000 2.347 185 Q HA 0.727 5.067 4.340 0.001 0.000 0.262 185 Q C -0.096 176.019 176.000 0.191 0.000 0.980 185 Q CA -0.098 55.842 55.803 0.227 0.000 0.867 185 Q CB 1.725 30.606 28.738 0.237 0.000 1.242 185 Q HN 1.004 nan 8.270 nan 0.000 0.453 186 G N 2.746 111.646 108.800 0.166 0.000 2.554 186 G HA2 0.266 4.227 3.960 0.001 0.000 0.306 186 G HA3 0.266 4.227 3.960 0.001 0.000 0.306 186 G C -1.632 173.348 174.900 0.133 0.000 1.320 186 G CA -0.832 44.361 45.100 0.154 0.000 0.800 186 G HN 0.561 nan 8.290 nan 0.000 0.481 187 N N 0.951 119.724 118.700 0.121 0.000 2.405 187 N HA 0.642 5.383 4.740 0.001 0.000 0.299 187 N C -2.712 172.833 175.510 0.058 0.000 1.075 187 N CA -1.325 51.779 53.050 0.091 0.000 0.884 187 N CB 2.004 40.592 38.487 0.168 0.000 1.194 187 N HN 0.122 nan 8.380 nan 0.000 0.491 188 P HA 0.272 nan 4.420 nan 0.000 0.269 188 P C -0.225 177.037 177.300 -0.063 0.000 1.209 188 P CA -0.140 62.895 63.100 -0.108 0.000 0.776 188 P CB 0.716 31.939 31.700 -0.795 0.000 0.876 189 G N 0.592 109.384 108.800 -0.012 0.000 2.600 189 G HA2 0.628 4.589 3.960 0.001 0.000 0.293 189 G HA3 0.628 4.589 3.960 0.001 0.000 0.293 189 G C -1.931 172.984 174.900 0.025 0.000 1.408 189 G CA -0.586 44.498 45.100 -0.027 0.000 0.782 189 G HN 0.460 nan 8.290 nan 0.000 0.482 190 K N -0.076 120.341 120.400 0.029 0.000 2.525 190 K HA 0.602 4.923 4.320 0.001 0.000 0.254 190 K C 0.203 176.834 176.600 0.052 0.000 0.934 190 K CA -0.593 55.722 56.287 0.047 0.000 0.802 190 K CB 1.960 34.481 32.500 0.035 0.000 1.295 190 K HN 0.846 nan 8.250 nan 0.000 0.433 191 T N -0.008 114.583 114.554 0.062 0.000 2.788 191 T HA 0.187 4.538 4.350 0.001 0.000 0.287 191 T C 1.114 175.843 174.700 0.048 0.000 1.007 191 T CA -0.352 61.790 62.100 0.070 0.000 1.005 191 T CB 0.927 69.839 68.868 0.073 0.000 1.012 191 T HN 0.614 nan 8.240 nan 0.000 0.530 192 K N 0.377 120.807 120.400 0.049 0.000 2.074 192 K HA -0.131 4.190 4.320 0.001 0.000 0.209 192 K C 2.391 179.003 176.600 0.021 0.000 1.048 192 K CA 1.621 57.930 56.287 0.036 0.000 0.926 192 K CB -0.173 32.350 32.500 0.037 0.000 0.713 192 K HN 0.557 nan 8.250 nan 0.000 0.444 193 K N -0.904 119.501 120.400 0.009 0.000 2.211 193 K HA -0.106 4.214 4.320 0.001 0.000 0.204 193 K C 1.000 177.601 176.600 0.002 0.000 1.047 193 K CA 1.105 57.389 56.287 -0.006 0.000 0.935 193 K CB 0.012 32.492 32.500 -0.033 0.000 0.728 193 K HN 0.470 nan 8.250 nan 0.000 0.452 194 G N 1.689 110.497 108.800 0.012 0.000 2.135 194 G HA2 -0.191 3.769 3.960 0.001 0.000 0.183 194 G HA3 -0.191 3.769 3.960 0.001 0.000 0.183 194 G C -0.735 174.178 174.900 0.022 0.000 1.004 194 G CA -0.424 44.688 45.100 0.019 0.000 0.677 194 G HN 0.312 nan 8.290 nan 0.000 0.512 195 E N 0.274 120.485 120.200 0.019 0.000 2.130 195 E HA 0.443 4.793 4.350 0.001 0.000 0.284 195 E C 0.410 177.046 176.600 0.060 0.000 1.018 195 E CA -0.889 55.527 56.400 0.027 0.000 0.817 195 E CB 1.758 31.457 29.700 -0.002 0.000 1.078 195 E HN 0.252 nan 8.360 nan 0.000 0.396 196 L N 3.058 124.330 121.223 0.081 0.000 2.525 196 L HA -0.001 4.339 4.340 0.001 0.000 0.278 196 L C -0.582 176.372 176.870 0.141 0.000 1.218 196 L CA 1.025 55.944 54.840 0.132 0.000 0.878 196 L CB 0.370 42.540 42.059 0.185 0.000 1.127 196 L HN 0.398 nan 8.230 nan 0.000 0.492 197 S N 4.795 120.591 115.700 0.160 0.000 2.618 197 S HA 0.616 5.087 4.470 0.001 0.000 0.277 197 S C -0.985 173.695 174.600 0.132 0.000 1.138 197 S CA -0.651 57.620 58.200 0.118 0.000 0.844 197 S CB 1.655 64.921 63.200 0.110 0.000 1.127 197 S HN 0.681 nan 8.310 nan 0.000 0.474 198 I N 1.684 122.277 120.570 0.040 0.000 2.433 198 I HA 0.530 4.701 4.170 0.001 0.000 0.292 198 I C -1.792 174.349 176.117 0.040 0.000 1.001 198 I CA -1.208 60.124 61.300 0.054 0.000 1.119 198 I CB 0.843 38.807 38.000 -0.059 0.000 1.289 198 I HN 0.526 nan 8.210 nan 0.000 0.438 199 I N 10.093 130.672 120.570 0.014 0.000 2.306 199 I HA 0.336 4.506 4.170 0.001 0.000 0.288 199 I C -2.163 174.017 176.117 0.106 0.000 1.036 199 I CA -1.966 59.338 61.300 0.005 0.000 1.221 199 I CB 0.799 38.688 38.000 -0.185 0.000 1.385 199 I HN 0.343 nan 8.210 nan 0.000 0.472 200 P HA 0.022 nan 4.420 nan 0.000 0.281 200 P C -0.092 177.348 177.300 0.233 0.000 1.252 200 P CA -0.129 63.098 63.100 0.212 0.000 0.778 200 P CB 0.923 32.778 31.700 0.257 0.000 0.895 201 Y N 2.969 123.269 120.300 0.001 0.000 2.397 201 Y HA 0.162 4.713 4.550 0.002 0.000 0.292 201 Y C 0.635 176.191 175.900 -0.572 0.000 1.115 201 Y CA 0.897 58.890 58.100 -0.179 0.000 1.208 201 Y CB 0.717 39.118 38.460 -0.098 0.000 1.046 201 Y HN 0.411 nan 8.280 nan 0.000 0.552 202 E N 0.279 120.297 120.200 -0.303 0.000 2.321 202 E HA 0.449 4.800 4.350 0.001 0.000 0.278 202 E C -1.859 174.796 176.600 0.092 0.000 0.902 202 E CA -0.631 55.565 56.400 -0.341 0.000 0.758 202 E CB 1.497 31.080 29.700 -0.195 0.000 1.213 202 E HN 0.170 nan 8.360 nan 0.000 0.426 203 I N 2.668 123.384 120.570 0.245 0.000 2.465 203 I HA 0.363 4.533 4.170 0.001 0.000 0.291 203 I C -0.638 175.482 176.117 0.006 0.000 1.014 203 I CA -0.476 60.873 61.300 0.081 0.000 1.093 203 I CB 2.340 40.331 38.000 -0.016 0.000 1.267 203 I HN 0.414 nan 8.210 nan 0.000 0.431 204 T N 6.383 120.878 114.554 -0.099 0.000 2.824 204 T HA 0.412 4.763 4.350 0.001 0.000 0.282 204 T C -0.565 174.012 174.700 -0.206 0.000 0.993 204 T CA -0.477 61.560 62.100 -0.106 0.000 0.967 204 T CB 1.656 70.501 68.868 -0.039 0.000 0.960 204 T HN 0.262 nan 8.240 nan 0.000 0.441 205 L N 4.366 125.482 121.223 -0.178 0.000 2.361 205 L HA 0.361 4.702 4.340 0.001 0.000 0.278 205 L C 0.398 177.153 176.870 -0.191 0.000 1.113 205 L CA 0.217 54.933 54.840 -0.207 0.000 0.849 205 L CB -0.092 41.842 42.059 -0.208 0.000 1.155 205 L HN 0.735 nan 8.230 nan 0.000 0.452 206 L N 2.709 123.811 121.223 -0.202 0.000 2.425 206 L HA 0.315 4.656 4.340 0.001 0.000 0.215 206 L C 0.538 177.330 176.870 -0.130 0.000 1.065 206 L CA 0.252 55.004 54.840 -0.146 0.000 0.842 206 L CB 0.112 42.079 42.059 -0.154 0.000 1.033 206 L HN 0.700 nan 8.230 nan 0.000 0.474 207 S N 0.341 115.946 115.700 -0.159 0.000 2.653 207 S HA 0.373 4.844 4.470 0.001 0.000 0.268 207 S C -2.749 171.756 174.600 -0.158 0.000 1.153 207 S CA -0.949 57.161 58.200 -0.150 0.000 1.036 207 S CB 1.606 64.823 63.200 0.028 0.000 1.103 207 S HN -0.167 nan 8.310 nan 0.000 0.466 208 P HA 0.266 nan 4.420 nan 0.000 0.274 208 P C -0.430 176.869 177.300 -0.002 0.000 1.231 208 P CA -0.456 62.562 63.100 -0.137 0.000 0.790 208 P CB 0.689 32.272 31.700 -0.195 0.000 0.951 209 C N 4.769 124.091 119.300 0.036 0.000 2.246 209 C HA 0.316 4.777 4.460 0.001 0.000 0.329 209 C C 1.808 176.888 174.990 0.150 0.000 1.221 209 C CA -0.484 58.600 59.018 0.110 0.000 1.697 209 C CB -1.806 26.002 27.740 0.114 0.000 2.312 209 C HN 0.509 nan 8.230 nan 0.000 0.509 210 L N 3.933 125.243 121.223 0.144 0.000 2.554 210 L HA 0.176 4.517 4.340 0.001 0.000 0.226 210 L C 0.499 177.472 176.870 0.173 0.000 1.137 210 L CA 0.564 55.466 54.840 0.102 0.000 0.863 210 L CB -0.614 41.495 42.059 0.084 0.000 0.985 210 L HN 0.734 nan 8.230 nan 0.000 0.451 211 H N -0.774 118.503 119.070 0.345 0.000 2.569 211 H HA 0.348 4.904 4.556 0.001 0.000 0.357 211 H C -0.265 175.143 175.328 0.135 0.000 1.153 211 H CA -0.714 55.508 56.048 0.289 0.000 1.193 211 H CB 1.869 31.695 29.762 0.106 0.000 1.602 211 H HN -0.105 nan 8.280 nan 0.000 0.523 212 M N 3.595 123.184 119.600 -0.017 0.000 2.227 212 M HA 0.148 4.628 4.480 0.001 0.000 0.349 212 M C -1.025 175.192 176.300 -0.137 0.000 1.443 212 M CA -0.154 54.874 55.300 -0.454 0.000 1.110 212 M CB 0.104 32.342 32.600 -0.603 0.000 1.773 212 M HN 0.417 nan 8.290 nan 0.000 0.463 213 L N 7.512 128.656 121.223 -0.130 0.000 2.417 213 L HA 0.316 4.657 4.340 0.001 0.000 0.268 213 L C -1.863 174.974 176.870 -0.055 0.000 1.158 213 L CA -1.899 52.902 54.840 -0.065 0.000 0.819 213 L CB 0.329 42.350 42.059 -0.062 0.000 1.112 213 L HN 0.528 nan 8.230 nan 0.000 0.458 214 P HA -0.026 nan 4.420 nan 0.000 0.261 214 P C -0.549 176.791 177.300 0.067 0.000 1.173 214 P CA 0.147 63.274 63.100 0.044 0.000 0.760 214 P CB 0.261 31.964 31.700 0.005 0.000 0.783 220 L N -0.809 120.376 121.223 -0.062 0.000 2.546 220 L HA 0.490 4.831 4.340 0.001 0.000 0.182 220 L C 2.298 179.165 176.870 -0.006 0.000 1.167 220 L CA 0.647 55.475 54.840 -0.020 0.000 0.845 220 L CB 0.295 42.351 42.059 -0.005 0.000 1.134 220 L HN 0.121 nan 8.230 nan 0.000 0.500 221 K N -1.166 119.220 120.400 -0.025 0.000 2.474 221 K HA 0.042 4.363 4.320 0.001 0.000 0.202 221 K C -0.255 176.308 176.600 -0.063 0.000 1.248 221 K CA -0.209 56.065 56.287 -0.022 0.000 0.946 221 K CB 0.565 33.056 32.500 -0.014 0.000 1.102 221 K HN 0.092 nan 8.250 nan 0.000 0.541 222 D N 2.380 122.732 120.400 -0.080 0.000 2.389 222 D HA -0.031 4.610 4.640 0.001 0.000 0.263 222 D C 0.830 177.025 176.300 -0.175 0.000 1.255 222 D CA 0.511 54.452 54.000 -0.098 0.000 0.914 222 D CB 0.953 41.706 40.800 -0.080 0.000 1.116 222 D HN -0.077 nan 8.370 nan 0.000 0.502 223 K N 2.715 122.999 120.400 -0.193 0.000 2.044 223 K HA -0.220 4.101 4.320 0.001 0.000 0.210 223 K C 1.633 177.939 176.600 -0.489 0.000 1.049 223 K CA 1.247 57.295 56.287 -0.399 0.000 0.927 223 K CB 0.089 32.497 32.500 -0.154 0.000 0.713 223 K HN 0.511 nan 8.250 nan 0.000 0.443 224 E N -0.154 119.943 120.200 -0.172 0.000 2.049 224 E HA -0.191 4.160 4.350 0.001 0.000 0.198 224 E C 1.926 178.467 176.600 -0.099 0.000 1.007 224 E CA 1.912 58.277 56.400 -0.058 0.000 0.809 224 E CB -0.114 29.579 29.700 -0.011 0.000 0.749 224 E HN 0.365 nan 8.360 nan 0.000 0.450 225 T N 0.886 115.359 114.554 -0.134 0.000 2.708 225 T HA -0.122 4.228 4.350 0.001 0.000 0.266 225 T C 1.919 176.505 174.700 -0.190 0.000 1.037 225 T CA 1.238 63.256 62.100 -0.136 0.000 1.146 225 T CB -0.211 68.582 68.868 -0.125 0.000 0.865 225 T HN 0.207 nan 8.240 nan 0.000 0.435 226 R N 0.196 120.534 120.500 -0.271 0.000 2.103 226 R HA -0.131 4.210 4.340 0.001 0.000 0.242 226 R C 2.266 178.443 176.300 -0.205 0.000 1.142 226 R CA 1.821 57.738 56.100 -0.304 0.000 0.960 226 R CB -0.530 29.523 30.300 -0.413 0.000 0.858 226 R HN 0.568 nan 8.270 nan 0.000 0.439 227 Y N -0.426 119.843 120.300 -0.052 0.000 2.420 227 Y HA 0.056 4.606 4.550 0.001 0.000 0.292 227 Y C 2.391 178.275 175.900 -0.026 0.000 1.119 227 Y CA 0.092 58.170 58.100 -0.037 0.000 1.229 227 Y CB 0.120 38.583 38.460 0.006 0.000 1.026 227 Y HN -0.051 nan 8.280 nan 0.000 0.554 228 R N 0.267 120.824 120.500 0.095 0.000 2.200 228 R HA 0.013 4.354 4.340 0.001 0.000 0.208 228 R C 0.233 176.534 176.300 0.001 0.000 1.033 228 R CA 0.685 56.827 56.100 0.070 0.000 1.000 228 R CB 0.105 30.429 30.300 0.039 0.000 0.906 228 R HN 0.354 nan 8.270 nan 0.000 0.462 229 Q N 0.232 119.943 119.800 -0.148 0.000 3.122 229 Q HA 0.157 4.498 4.340 0.001 0.000 0.282 229 Q C 0.068 175.757 176.000 -0.518 0.000 0.947 229 Q CA -0.257 55.271 55.803 -0.459 0.000 0.812 229 Q CB 1.624 30.000 28.738 -0.604 0.000 1.333 229 Q HN -0.082 nan 8.270 nan 0.000 0.430 230 R N 0.674 121.002 120.500 -0.287 0.000 2.105 230 R HA -0.218 4.123 4.340 0.001 0.000 0.239 230 R C 1.599 177.762 176.300 -0.229 0.000 1.135 230 R CA 2.169 58.108 56.100 -0.268 0.000 0.967 230 R CB -0.350 29.667 30.300 -0.472 0.000 0.861 230 R HN 0.627 nan 8.270 nan 0.000 0.442 231 Y N -1.158 119.122 120.300 -0.033 0.000 2.207 231 Y HA -0.127 4.424 4.550 0.001 0.000 0.287 231 Y C 1.800 177.685 175.900 -0.024 0.000 1.156 231 Y CA 1.187 59.279 58.100 -0.013 0.000 1.182 231 Y CB -0.755 37.727 38.460 0.038 0.000 0.979 231 Y HN -0.027 nan 8.280 nan 0.000 0.521 232 L N 0.173 121.198 121.223 -0.330 0.000 2.027 232 L HA -0.156 4.185 4.340 0.001 0.000 0.206 232 L C 2.343 179.137 176.870 -0.127 0.000 1.074 232 L CA 1.754 56.494 54.840 -0.166 0.000 0.745 232 L CB -0.698 41.203 42.059 -0.264 0.000 0.898 232 L HN 0.240 nan 8.230 nan 0.000 0.433 233 D N 0.630 120.920 120.400 -0.183 0.000 2.106 233 D HA -0.213 4.427 4.640 0.001 0.000 0.191 233 D C 2.288 178.507 176.300 -0.135 0.000 0.997 233 D CA 1.552 55.458 54.000 -0.157 0.000 0.834 233 D CB -0.086 40.614 40.800 -0.166 0.000 0.956 233 D HN 0.170 nan 8.370 nan 0.000 0.448 234 L N -0.110 121.049 121.223 -0.106 0.000 2.093 234 L HA -0.107 4.233 4.340 0.001 0.000 0.208 234 L C 2.650 179.501 176.870 -0.032 0.000 1.085 234 L CA 0.551 55.347 54.840 -0.073 0.000 0.755 234 L CB -0.278 41.749 42.059 -0.055 0.000 0.904 234 L HN 0.130 nan 8.230 nan 0.000 0.435 235 I N -0.350 120.221 120.570 0.002 0.000 2.179 235 I HA -0.316 3.855 4.170 0.001 0.000 0.242 235 I C 2.143 178.282 176.117 0.037 0.000 1.088 235 I CA 1.551 62.873 61.300 0.035 0.000 1.357 235 I CB -0.136 37.903 38.000 0.065 0.000 1.051 235 I HN 0.211 nan 8.210 nan 0.000 0.409 236 L N -0.433 120.799 121.223 0.014 0.000 2.509 236 L HA 0.087 4.428 4.340 0.001 0.000 0.222 236 L C -0.029 176.854 176.870 0.022 0.000 1.123 236 L CA 0.353 55.218 54.840 0.042 0.000 0.856 236 L CB -0.149 41.927 42.059 0.029 0.000 0.985 236 L HN 0.229 nan 8.230 nan 0.000 0.456 237 N N -0.165 118.505 118.700 -0.051 0.000 2.577 237 N HA 0.052 4.793 4.740 0.001 0.000 0.275 237 N C -0.080 175.327 175.510 -0.172 0.000 1.091 237 N CA -0.137 52.856 53.050 -0.095 0.000 0.843 237 N CB 1.690 40.017 38.487 -0.265 0.000 1.295 237 N HN -0.066 nan 8.380 nan 0.000 0.530 238 D N 1.211 121.595 120.400 -0.027 0.000 2.264 238 D HA -0.136 4.504 4.640 0.001 0.000 0.208 238 D C 1.636 177.936 176.300 -0.001 0.000 0.966 238 D CA 0.913 54.904 54.000 -0.016 0.000 0.864 238 D CB 0.080 40.894 40.800 0.025 0.000 0.933 238 D HN 0.551 nan 8.370 nan 0.000 0.499 239 F N -1.044 118.912 119.950 0.010 0.000 2.269 239 F HA -0.040 4.488 4.527 0.001 0.000 0.301 239 F C 1.724 177.529 175.800 0.008 0.000 1.082 239 F CA 0.410 58.411 58.000 0.001 0.000 1.360 239 F CB -0.812 38.182 39.000 -0.010 0.000 1.041 239 F HN -0.107 nan 8.300 nan 0.000 0.512 240 V N 1.475 120.996 119.914 -0.656 0.000 2.323 240 V HA -0.207 3.914 4.120 0.001 0.000 0.244 240 V C 2.792 178.880 176.094 -0.010 0.000 1.041 240 V CA 2.052 64.104 62.300 -0.413 0.000 1.025 240 V CB -0.840 30.720 31.823 -0.438 0.000 0.656 240 V HN 0.446 nan 8.190 nan 0.000 0.451 241 R N 0.019 120.519 120.500 -0.000 0.000 2.105 241 R HA -0.215 4.125 4.340 0.001 0.000 0.239 241 R C 2.275 178.630 176.300 0.091 0.000 1.135 241 R CA 1.634 57.791 56.100 0.095 0.000 0.967 241 R CB -0.169 30.152 30.300 0.036 0.000 0.861 241 R HN 0.461 nan 8.270 nan 0.000 0.442 242 Q N 0.749 120.570 119.800 0.035 0.000 2.119 242 Q HA -0.110 4.231 4.340 0.001 0.000 0.201 242 Q C 1.831 177.816 176.000 -0.026 0.000 0.972 242 Q CA 1.407 57.224 55.803 0.024 0.000 0.847 242 Q CB -0.065 28.699 28.738 0.043 0.000 0.903 242 Q HN 0.447 nan 8.270 nan 0.000 0.433 243 K N -0.359 119.978 120.400 -0.105 0.000 2.211 243 K HA -0.053 4.267 4.320 0.001 0.000 0.203 243 K C 1.846 178.209 176.600 -0.395 0.000 1.050 243 K CA 0.858 56.976 56.287 -0.282 0.000 0.945 243 K CB -0.074 32.166 32.500 -0.433 0.000 0.732 243 K HN 0.146 nan 8.250 nan 0.000 0.451 244 F N 0.498 120.432 119.950 -0.026 0.000 2.473 244 F HA 0.048 4.575 4.527 0.001 0.000 0.294 244 F C 1.996 177.789 175.800 -0.011 0.000 1.103 244 F CA 0.302 58.286 58.000 -0.026 0.000 1.442 244 F CB -0.092 38.884 39.000 -0.039 0.000 1.097 244 F HN -0.113 nan 8.300 nan 0.000 0.547 245 I N 0.127 120.771 120.570 0.123 0.000 2.179 245 I HA -0.311 3.859 4.170 0.001 0.000 0.242 245 I C 2.258 178.399 176.117 0.039 0.000 1.088 245 I CA 1.488 62.834 61.300 0.077 0.000 1.357 245 I CB -0.362 37.671 38.000 0.054 0.000 1.051 245 I HN 0.072 nan 8.210 nan 0.000 0.409 246 I N 0.184 120.750 120.570 -0.008 0.000 2.264 246 I HA -0.332 3.838 4.170 0.001 0.000 0.248 246 I C 2.773 178.866 176.117 -0.039 0.000 1.111 246 I CA 1.260 62.536 61.300 -0.039 0.000 1.382 246 I CB -0.411 37.538 38.000 -0.084 0.000 1.060 246 I HN 0.214 nan 8.210 nan 0.000 0.418 247 R N 0.663 121.140 120.500 -0.039 0.000 2.073 247 R HA -0.171 4.170 4.340 0.001 0.000 0.234 247 R C 2.449 178.774 176.300 0.042 0.000 1.134 247 R CA 2.035 58.126 56.100 -0.015 0.000 0.952 247 R CB -0.152 30.160 30.300 0.020 0.000 0.850 247 R HN 0.228 nan 8.270 nan 0.000 0.433 248 S N 0.712 116.458 115.700 0.076 0.000 2.370 248 S HA -0.138 4.333 4.470 0.001 0.000 0.226 248 S C 1.698 176.352 174.600 0.089 0.000 1.033 248 S CA 1.534 59.786 58.200 0.088 0.000 1.011 248 S CB -0.107 63.149 63.200 0.093 0.000 0.852 248 S HN 0.390 nan 8.310 nan 0.000 0.457 249 K N 0.624 121.073 120.400 0.081 0.000 2.148 249 K HA 0.044 4.365 4.320 0.001 0.000 0.204 249 K C 1.932 178.611 176.600 0.131 0.000 1.050 249 K CA 0.903 57.258 56.287 0.114 0.000 0.942 249 K CB -0.274 32.282 32.500 0.094 0.000 0.724 249 K HN 0.338 nan 8.250 nan 0.000 0.446 250 I N 1.035 121.644 120.570 0.065 0.000 2.113 250 I HA -0.318 3.852 4.170 0.001 0.000 0.238 250 I C 2.229 178.421 176.117 0.124 0.000 1.070 250 I CA 1.449 62.779 61.300 0.051 0.000 1.332 250 I CB -0.293 37.690 38.000 -0.028 0.000 1.044 250 I HN 0.090 nan 8.210 nan 0.000 0.402 251 I N 0.272 120.906 120.570 0.107 0.000 2.163 251 I HA -0.320 3.851 4.170 0.001 0.000 0.243 251 I C 2.554 178.755 176.117 0.141 0.000 1.085 251 I CA 1.724 63.100 61.300 0.128 0.000 1.347 251 I CB -0.706 37.362 38.000 0.113 0.000 1.044 251 I HN 0.275 nan 8.210 nan 0.000 0.408 252 T N -0.224 114.411 114.554 0.136 0.000 2.684 252 T HA -0.266 4.085 4.350 0.001 0.000 0.267 252 T C 1.789 176.558 174.700 0.116 0.000 1.036 252 T CA 1.622 63.795 62.100 0.123 0.000 1.148 252 T CB -0.511 68.430 68.868 0.120 0.000 0.863 252 T HN 0.348 nan 8.240 nan 0.000 0.436 253 Y N 1.392 121.710 120.300 0.029 0.000 2.128 253 Y HA -0.153 4.397 4.550 0.001 0.000 0.284 253 Y C 2.074 177.978 175.900 0.006 0.000 1.154 253 Y CA 1.103 59.196 58.100 -0.013 0.000 1.149 253 Y CB -0.437 38.012 38.460 -0.018 0.000 0.976 253 Y HN 0.163 nan 8.280 nan 0.000 0.505 254 I N -0.171 120.501 120.570 0.171 0.000 2.226 254 I HA -0.349 3.822 4.170 0.001 0.000 0.245 254 I C 2.564 178.634 176.117 -0.078 0.000 1.100 254 I CA 1.444 62.776 61.300 0.053 0.000 1.374 254 I CB -0.397 37.672 38.000 0.114 0.000 1.057 254 I HN 0.178 nan 8.210 nan 0.000 0.413 255 R N 0.550 121.045 120.500 -0.008 0.000 2.080 255 R HA -0.171 4.170 4.340 0.001 0.000 0.236 255 R C 2.574 178.826 176.300 -0.080 0.000 1.137 255 R CA 2.079 58.178 56.100 -0.003 0.000 0.943 255 R CB -0.617 29.776 30.300 0.156 0.000 0.846 255 R HN 0.482 nan 8.270 nan 0.000 0.431 256 S N 0.514 116.156 115.700 -0.096 0.000 2.382 256 S HA -0.169 4.302 4.470 0.001 0.000 0.228 256 S C 1.847 176.316 174.600 -0.219 0.000 1.027 256 S CA 0.933 59.045 58.200 -0.146 0.000 0.991 256 S CB -0.627 62.471 63.200 -0.170 0.000 0.823 256 S HN 0.300 nan 8.310 nan 0.000 0.469 257 F N 2.556 122.242 119.950 -0.439 0.000 2.069 257 F HA -0.031 4.496 4.527 0.001 0.000 0.298 257 F C 2.005 177.570 175.800 -0.393 0.000 1.113 257 F CA 1.552 59.288 58.000 -0.439 0.000 1.214 257 F CB -0.362 38.358 39.000 -0.465 0.000 0.978 257 F HN 0.129 nan 8.300 nan 0.000 0.474 258 L N -0.470 120.593 121.223 -0.267 0.000 2.109 258 L HA -0.158 4.183 4.340 0.001 0.000 0.207 258 L C 2.084 178.837 176.870 -0.196 0.000 1.086 258 L CA 1.028 55.566 54.840 -0.504 0.000 0.760 258 L CB -0.827 40.541 42.059 -1.152 0.000 0.910 258 L HN 0.058 nan 8.230 nan 0.000 0.437 259 D N 0.128 120.442 120.400 -0.144 0.000 2.123 259 D HA -0.236 4.405 4.640 0.001 0.000 0.196 259 D C 2.041 178.323 176.300 -0.029 0.000 0.992 259 D CA 1.136 55.149 54.000 0.021 0.000 0.833 259 D CB -0.086 40.738 40.800 0.040 0.000 0.954 259 D HN 0.343 nan 8.370 nan 0.000 0.455 260 E N 0.309 120.432 120.200 -0.129 0.000 2.268 260 E HA -0.108 4.243 4.350 0.001 0.000 0.195 260 E C 1.725 178.236 176.600 -0.148 0.000 0.995 260 E CA 0.349 56.655 56.400 -0.156 0.000 0.836 260 E CB 0.007 29.563 29.700 -0.240 0.000 0.763 260 E HN 0.294 nan 8.360 nan 0.000 0.491 261 L N -0.488 120.657 121.223 -0.128 0.000 2.592 261 L HA 0.164 4.504 4.340 0.001 0.000 0.227 261 L C 1.267 178.126 176.870 -0.018 0.000 1.127 261 L CA 0.511 55.312 54.840 -0.065 0.000 0.884 261 L CB 0.317 42.382 42.059 0.011 0.000 1.065 261 L HN 0.357 nan 8.230 nan 0.000 0.457 262 G N -0.452 108.354 108.800 0.010 0.000 2.131 262 G HA2 -0.283 3.678 3.960 0.001 0.000 0.223 262 G HA3 -0.283 3.678 3.960 0.001 0.000 0.223 262 G C 0.039 174.927 174.900 -0.019 0.000 0.990 262 G CA -0.557 44.526 45.100 -0.028 0.000 0.671 262 G HN 0.128 nan 8.290 nan 0.000 0.521 263 F N -0.187 119.764 119.950 0.001 0.000 2.456 263 F HA 0.575 5.103 4.527 0.001 0.000 0.358 263 F C 0.772 176.707 175.800 0.226 0.000 1.095 263 F CA -0.761 57.312 58.000 0.122 0.000 1.216 263 F CB 1.107 40.178 39.000 0.119 0.000 1.125 263 F HN 0.115 nan 8.300 nan 0.000 0.549 264 L N 3.871 125.279 121.223 0.309 0.000 2.305 264 L HA 0.275 4.616 4.340 0.001 0.000 0.281 264 L C -0.020 176.904 176.870 0.090 0.000 1.085 264 L CA -0.210 54.734 54.840 0.173 0.000 0.813 264 L CB 0.843 42.943 42.059 0.068 0.000 1.157 264 L HN 0.637 nan 8.230 nan 0.000 0.436 265 E N 5.722 125.871 120.200 -0.086 0.000 2.229 265 E HA 0.480 4.830 4.350 0.001 0.000 0.283 265 E C -0.864 175.578 176.600 -0.263 0.000 1.030 265 E CA -0.413 55.685 56.400 -0.503 0.000 0.836 265 E CB 0.643 30.056 29.700 -0.479 0.000 1.068 265 E HN 0.632 nan 8.360 nan 0.000 0.401 266 I N 0.155 120.569 120.570 -0.260 0.000 3.239 266 I HA 0.595 4.766 4.170 0.001 0.000 0.314 266 I C -0.947 175.109 176.117 -0.103 0.000 1.126 266 I CA -1.079 60.130 61.300 -0.152 0.000 0.973 266 I CB 2.306 40.208 38.000 -0.164 0.000 1.252 266 I HN 0.340 nan 8.210 nan 0.000 0.463 267 E N 1.518 121.671 120.200 -0.077 0.000 2.241 267 E HA 0.455 4.806 4.350 0.001 0.000 0.263 267 E C -1.238 175.318 176.600 -0.074 0.000 0.882 267 E CA -0.699 55.672 56.400 -0.049 0.000 0.769 267 E CB 2.332 32.003 29.700 -0.047 0.000 1.185 267 E HN 0.823 nan 8.360 nan 0.000 0.415 268 T N -0.348 114.167 114.554 -0.065 0.000 2.940 268 T HA 0.613 4.964 4.350 0.001 0.000 0.288 268 T C -2.613 171.923 174.700 -0.274 0.000 1.045 268 T CA -2.503 59.472 62.100 -0.208 0.000 1.018 268 T CB 1.375 70.155 68.868 -0.146 0.000 1.151 268 T HN 0.026 nan 8.240 nan 0.000 0.529 269 P HA 0.273 nan 4.420 nan 0.000 0.268 269 P C 0.165 177.397 177.300 -0.115 0.000 1.204 269 P CA -0.215 62.695 63.100 -0.317 0.000 0.768 269 P CB 0.278 31.741 31.700 -0.395 0.000 0.842 270 M N 1.363 120.956 119.600 -0.012 0.000 2.495 270 M HA 0.170 4.650 4.480 0.001 0.000 0.237 270 M C 0.252 176.599 176.300 0.079 0.000 1.131 270 M CA 0.876 56.232 55.300 0.093 0.000 1.032 270 M CB -0.022 32.673 32.600 0.159 0.000 1.513 270 M HN 0.305 nan 8.290 nan 0.000 0.488 271 M N 1.285 120.907 119.600 0.037 0.000 2.190 271 M HA 0.403 4.884 4.480 0.001 0.000 0.312 271 M C -1.173 175.173 176.300 0.076 0.000 0.990 271 M CA -0.485 54.839 55.300 0.039 0.000 0.927 271 M CB 1.536 34.135 32.600 -0.003 0.000 1.571 271 M HN -0.021 nan 8.290 nan 0.000 0.427 272 N N 3.107 121.881 118.700 0.124 0.000 2.269 272 N HA 0.410 5.151 4.740 0.001 0.000 0.304 272 N C 0.747 176.338 175.510 0.135 0.000 1.072 272 N CA -0.588 52.549 53.050 0.145 0.000 0.802 272 N CB 2.441 41.015 38.487 0.146 0.000 1.348 272 N HN 0.875 nan 8.380 nan 0.000 0.484 273 I N -1.604 119.015 120.570 0.082 0.000 2.493 273 I HA 0.162 4.332 4.170 0.001 0.000 0.254 273 I C -0.059 176.078 176.117 0.033 0.000 1.160 273 I CA 1.405 62.748 61.300 0.072 0.000 1.445 273 I CB 0.139 38.153 38.000 0.023 0.000 1.086 273 I HN 0.292 nan 8.210 nan 0.000 0.433 274 I N 2.891 123.384 120.570 -0.128 0.000 2.500 274 I HA 0.410 4.581 4.170 0.001 0.000 0.286 274 I C -2.575 173.297 176.117 -0.409 0.000 1.063 274 I CA -1.988 59.031 61.300 -0.468 0.000 1.062 274 I CB 2.083 39.881 38.000 -0.336 0.000 1.223 274 I HN -0.082 nan 8.210 nan 0.000 0.435 275 P HA 0.555 nan 4.420 nan 0.000 0.278 275 P C -0.349 176.846 177.300 -0.176 0.000 1.258 275 P CA -0.132 62.815 63.100 -0.255 0.000 0.811 275 P CB 1.844 33.409 31.700 -0.224 0.000 1.063 276 G N -2.375 106.376 108.800 -0.081 0.000 2.550 276 G HA2 0.492 4.453 3.960 0.001 0.000 0.293 276 G HA3 0.492 4.453 3.960 0.001 0.000 0.293 276 G C -0.068 174.812 174.900 -0.033 0.000 1.402 276 G CA 0.078 45.133 45.100 -0.075 0.000 0.784 276 G HN 0.772 nan 8.290 nan 0.000 0.482 277 G N -1.889 106.902 108.800 -0.015 0.000 2.176 277 G HA2 0.436 4.396 3.960 0.001 0.000 0.232 277 G HA3 0.436 4.396 3.960 0.001 0.000 0.232 277 G C 0.445 175.384 174.900 0.065 0.000 0.986 277 G CA 1.211 46.315 45.100 0.005 0.000 0.643 277 G HN 2.508 nan 8.290 nan 0.000 0.522 278 A N -1.689 121.178 122.820 0.079 0.000 2.586 278 A HA 0.736 5.056 4.320 0.001 0.000 0.291 278 A C -0.879 176.760 177.584 0.092 0.000 1.062 278 A CA 0.112 52.205 52.037 0.094 0.000 0.666 278 A CB 0.979 20.038 19.000 0.099 0.000 1.281 278 A HN 1.381 nan 8.150 nan 0.000 0.421 279 V N 1.141 121.107 119.914 0.087 0.000 2.368 279 V HA 0.648 4.769 4.120 0.001 0.000 0.266 279 V C 0.479 176.618 176.094 0.076 0.000 1.045 279 V CA 1.052 63.397 62.300 0.074 0.000 0.899 279 V CB 0.125 31.987 31.823 0.064 0.000 1.006 279 V HN 1.919 nan 8.190 nan 0.000 0.470 280 A N 5.063 127.927 122.820 0.074 0.000 2.583 280 A HA 0.605 4.925 4.320 0.001 0.000 0.292 280 A C -0.949 176.674 177.584 0.066 0.000 1.045 280 A CA -0.859 51.224 52.037 0.077 0.000 0.672 280 A CB 1.355 20.425 19.000 0.117 0.000 1.283 280 A HN 0.576 nan 8.150 nan 0.000 0.419 281 K N 1.857 122.279 120.400 0.038 0.000 2.248 281 K HA 0.539 4.860 4.320 0.001 0.000 0.281 281 K C -2.516 174.080 176.600 -0.007 0.000 1.054 281 K CA -1.805 54.493 56.287 0.018 0.000 0.903 281 K CB 0.966 33.450 32.500 -0.026 0.000 1.077 281 K HN 0.517 nan 8.250 nan 0.000 0.474 282 P HA 0.212 nan 4.420 nan 0.000 0.281 282 P C -0.836 176.484 177.300 0.033 0.000 1.264 282 P CA -0.482 62.690 63.100 0.120 0.000 0.824 282 P CB 0.617 32.477 31.700 0.267 0.000 1.092 283 F N 0.031 120.091 119.950 0.184 0.000 2.399 283 F HA 0.362 4.889 4.527 0.001 0.000 0.342 283 F C 0.929 176.759 175.800 0.050 0.000 1.106 283 F CA -0.023 58.034 58.000 0.096 0.000 1.196 283 F CB 0.353 39.367 39.000 0.023 0.000 1.163 283 F HN 0.003 nan 8.300 nan 0.000 0.547 284 I N 2.146 122.810 120.570 0.156 0.000 2.433 284 I HA 0.464 4.635 4.170 0.001 0.000 0.292 284 I C -0.338 175.748 176.117 -0.053 0.000 1.001 284 I CA -0.428 60.811 61.300 -0.102 0.000 1.119 284 I CB 1.890 39.780 38.000 -0.184 0.000 1.289 284 I HN 0.585 nan 8.210 nan 0.000 0.438 285 T N 2.611 117.103 114.554 -0.104 0.000 2.773 285 T HA 0.500 4.851 4.350 0.001 0.000 0.278 285 T C -1.435 173.285 174.700 0.033 0.000 1.011 285 T CA -0.791 61.290 62.100 -0.032 0.000 1.014 285 T CB 1.896 70.735 68.868 -0.050 0.000 1.293 285 T HN 0.446 nan 8.240 nan 0.000 0.554 286 Y N 0.463 120.717 120.300 -0.077 0.000 2.457 286 Y HA 0.541 5.092 4.550 0.001 0.000 0.343 286 Y C -1.058 174.832 175.900 -0.017 0.000 0.994 286 Y CA -0.963 57.109 58.100 -0.047 0.000 1.031 286 Y CB 1.563 39.994 38.460 -0.048 0.000 1.246 286 Y HN 0.897 nan 8.280 nan 0.000 0.449 287 H N 5.829 124.459 119.070 -0.734 0.000 2.556 287 H HA 0.384 4.941 4.556 0.001 0.000 0.310 287 H C 0.357 175.178 175.328 -0.845 0.000 1.057 287 H CA -0.118 55.582 56.048 -0.580 0.000 1.264 287 H CB 0.838 30.397 29.762 -0.339 0.000 1.404 287 H HN 0.879 nan 8.280 nan 0.000 0.462 288 N N 3.342 121.723 118.700 -0.533 0.000 2.058 288 N HA -0.164 4.577 4.740 0.001 0.000 0.191 288 N C 1.113 176.615 175.510 -0.014 0.000 1.037 288 N CA 0.974 53.916 53.050 -0.179 0.000 0.848 288 N CB 0.251 38.718 38.487 -0.034 0.000 1.021 288 N HN 0.722 nan 8.380 nan 0.000 0.422 289 E N 1.120 121.369 120.200 0.081 0.000 2.077 289 E HA -0.080 4.271 4.350 0.001 0.000 0.193 289 E C 1.977 178.636 176.600 0.098 0.000 0.989 289 E CA 0.683 57.162 56.400 0.131 0.000 0.800 289 E CB -0.103 29.712 29.700 0.191 0.000 0.746 289 E HN 0.405 nan 8.360 nan 0.000 0.452 290 L N 0.390 121.681 121.223 0.114 0.000 2.567 290 L HA 0.022 4.363 4.340 0.001 0.000 0.225 290 L C 0.235 177.063 176.870 -0.070 0.000 1.119 290 L CA -0.068 54.721 54.840 -0.085 0.000 0.871 290 L CB 0.038 41.914 42.059 -0.304 0.000 1.036 290 L HN 0.027 nan 8.230 nan 0.000 0.459 291 D N 1.663 122.010 120.400 -0.087 0.000 2.705 291 D HA -0.195 4.446 4.640 0.001 0.000 0.240 291 D C -0.220 176.067 176.300 -0.023 0.000 1.137 291 D CA 0.875 54.863 54.000 -0.020 0.000 0.677 291 D CB -0.653 40.204 40.800 0.094 0.000 1.049 291 D HN 0.415 nan 8.370 nan 0.000 0.427 292 M N -1.799 117.659 119.600 -0.237 0.000 2.531 292 M HA 0.495 4.976 4.480 0.001 0.000 0.286 292 M C -0.469 175.790 176.300 -0.068 0.000 1.232 292 M CA -1.049 54.210 55.300 -0.067 0.000 0.877 292 M CB 1.770 34.331 32.600 -0.064 0.000 1.726 292 M HN -0.237 nan 8.290 nan 0.000 0.463 293 N N 2.067 120.810 118.700 0.071 0.000 2.529 293 N HA 0.620 5.360 4.740 0.001 0.000 0.278 293 N C -1.382 174.063 175.510 -0.109 0.000 1.146 293 N CA 0.005 53.060 53.050 0.008 0.000 0.980 293 N CB 1.313 39.778 38.487 -0.037 0.000 1.124 293 N HN 0.580 nan 8.380 nan 0.000 0.458 294 L N 1.913 123.032 121.223 -0.174 0.000 2.333 294 L HA 0.491 4.832 4.340 0.001 0.000 0.263 294 L C -1.052 175.654 176.870 -0.274 0.000 1.014 294 L CA -0.946 53.818 54.840 -0.126 0.000 0.820 294 L CB 1.297 43.328 42.059 -0.048 0.000 1.352 294 L HN 0.393 nan 8.230 nan 0.000 0.421 295 Y N 0.579 120.864 120.300 -0.025 0.000 2.446 295 Y HA 0.501 5.051 4.550 0.001 0.000 0.338 295 Y C 0.211 176.121 175.900 0.017 0.000 1.055 295 Y CA -1.051 57.050 58.100 0.001 0.000 1.101 295 Y CB 1.608 40.044 38.460 -0.040 0.000 1.221 295 Y HN 0.275 nan 8.280 nan 0.000 0.460 296 M N 2.627 122.339 119.600 0.186 0.000 2.233 296 M HA 0.240 4.721 4.480 0.001 0.000 0.350 296 M C 0.185 176.649 176.300 0.273 0.000 1.176 296 M CA -0.451 54.909 55.300 0.099 0.000 1.150 296 M CB 0.651 33.161 32.600 -0.149 0.000 1.530 296 M HN 0.721 nan 8.290 nan 0.000 0.459 297 R N 1.287 121.973 120.500 0.310 0.000 2.590 297 R HA 0.217 4.557 4.340 0.001 0.000 0.274 297 R C 0.003 176.465 176.300 0.270 0.000 1.061 297 R CA -0.154 56.108 56.100 0.269 0.000 1.081 297 R CB 0.275 30.711 30.300 0.226 0.000 0.984 297 R HN 0.520 nan 8.270 nan 0.000 0.448 298 I N 1.455 122.126 120.570 0.170 0.000 2.867 298 I HA 0.206 4.377 4.170 0.001 0.000 0.265 298 I C 0.487 176.645 176.117 0.070 0.000 1.162 298 I CA 1.252 62.632 61.300 0.134 0.000 1.471 298 I CB 0.292 38.363 38.000 0.119 0.000 1.123 298 I HN 0.909 nan 8.210 nan 0.000 0.440 299 A N -0.143 122.710 122.820 0.055 0.000 2.594 299 A HA 0.581 4.901 4.320 0.001 0.000 0.296 299 A C -2.368 175.236 177.584 0.034 0.000 1.056 299 A CA -0.581 51.466 52.037 0.017 0.000 0.693 299 A CB 0.428 19.440 19.000 0.020 0.000 1.278 299 A HN -0.109 nan 8.150 nan 0.000 0.408 300 P HA 0.070 nan 4.420 nan 0.000 0.255 300 P C 0.810 178.077 177.300 -0.055 0.000 1.248 300 P CA 0.466 63.597 63.100 0.051 0.000 0.807 300 P CB 0.480 32.161 31.700 -0.032 0.000 1.150 301 E N 1.261 121.390 120.200 -0.119 0.000 2.086 301 E HA -0.206 4.144 4.350 0.001 0.000 0.205 301 E C 1.822 178.252 176.600 -0.284 0.000 1.027 301 E CA 1.657 57.957 56.400 -0.167 0.000 0.830 301 E CB -0.708 28.983 29.700 -0.014 0.000 0.751 301 E HN 0.176 nan 8.360 nan 0.000 0.456 302 L N -0.553 120.469 121.223 -0.335 0.000 2.093 302 L HA -0.165 4.175 4.340 0.001 0.000 0.208 302 L C 2.484 179.211 176.870 -0.238 0.000 1.085 302 L CA 1.113 55.612 54.840 -0.569 0.000 0.755 302 L CB -0.680 40.872 42.059 -0.844 0.000 0.904 302 L HN 0.241 nan 8.230 nan 0.000 0.435 303 Y N -0.341 119.945 120.300 -0.024 0.000 2.181 303 Y HA -0.222 4.329 4.550 0.001 0.000 0.288 303 Y C 2.771 178.721 175.900 0.083 0.000 1.146 303 Y CA 1.274 59.414 58.100 0.068 0.000 1.164 303 Y CB -0.769 37.748 38.460 0.096 0.000 0.982 303 Y HN 0.192 nan 8.280 nan 0.000 0.515 304 H N -0.128 118.941 119.070 -0.002 0.000 2.319 304 H HA -0.172 4.384 4.556 0.001 0.000 0.299 304 H C 2.033 177.242 175.328 -0.198 0.000 1.092 304 H CA 1.536 57.492 56.048 -0.152 0.000 1.302 304 H CB 0.035 29.543 29.762 -0.424 0.000 1.373 304 H HN 0.331 nan 8.280 nan 0.000 0.497 305 K N 0.304 120.632 120.400 -0.121 0.000 2.148 305 K HA -0.070 4.251 4.320 0.001 0.000 0.204 305 K C 2.212 178.901 176.600 0.149 0.000 1.050 305 K CA 0.787 57.097 56.287 0.040 0.000 0.942 305 K CB 0.055 32.680 32.500 0.208 0.000 0.724 305 K HN 0.261 nan 8.250 nan 0.000 0.446 306 M N 0.535 120.250 119.600 0.192 0.000 2.296 306 M HA -0.116 4.365 4.480 0.001 0.000 0.265 306 M C 1.836 178.183 176.300 0.080 0.000 1.064 306 M CA 1.247 56.635 55.300 0.146 0.000 1.109 306 M CB -0.121 32.583 32.600 0.174 0.000 1.396 306 M HN 0.128 nan 8.290 nan 0.000 0.430 307 L N -0.916 120.347 121.223 0.068 0.000 2.179 307 L HA -0.099 4.242 4.340 0.001 0.000 0.208 307 L C 2.291 179.180 176.870 0.031 0.000 1.096 307 L CA 0.448 55.307 54.840 0.032 0.000 0.779 307 L CB -0.455 41.602 42.059 -0.003 0.000 0.922 307 L HN 0.097 nan 8.230 nan 0.000 0.443 308 V N -0.916 119.026 119.914 0.046 0.000 2.453 308 V HA -0.195 3.926 4.120 0.001 0.000 0.247 308 V C 2.439 178.548 176.094 0.025 0.000 1.048 308 V CA 1.166 63.491 62.300 0.042 0.000 1.049 308 V CB -0.211 31.651 31.823 0.064 0.000 0.672 308 V HN 0.185 nan 8.190 nan 0.000 0.457 309 V N 1.391 121.324 119.914 0.032 0.000 2.332 309 V HA -0.210 3.911 4.120 0.001 0.000 0.248 309 V C 2.640 178.744 176.094 0.017 0.000 1.055 309 V CA 2.204 64.519 62.300 0.026 0.000 1.038 309 V CB -1.444 30.394 31.823 0.024 0.000 0.651 309 V HN 0.620 nan 8.190 nan 0.000 0.450 310 G N -0.810 107.996 108.800 0.010 0.000 2.498 310 G HA2 0.172 4.133 3.960 0.001 0.000 0.219 310 G HA3 0.172 4.133 3.960 0.001 0.000 0.219 310 G C 1.257 176.163 174.900 0.010 0.000 1.119 310 G CA 0.960 46.060 45.100 -0.001 0.000 0.766 310 G HN 1.129 nan 8.290 nan 0.000 0.552 311 G N -0.584 108.228 108.800 0.021 0.000 2.144 311 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 311 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 311 G C 0.266 175.183 174.900 0.028 0.000 0.988 311 G CA -0.036 45.083 45.100 0.032 0.000 0.659 311 G HN 0.494 nan 8.290 nan 0.000 0.522 312 I N 1.735 122.317 120.570 0.020 0.000 2.269 312 I HA 0.230 4.401 4.170 0.001 0.000 0.293 312 I C 0.552 176.682 176.117 0.021 0.000 1.106 312 I CA -0.703 60.607 61.300 0.016 0.000 1.248 312 I CB 0.856 38.862 38.000 0.010 0.000 1.444 312 I HN -0.108 nan 8.210 nan 0.000 0.497 313 D N 4.999 125.404 120.400 0.010 0.000 2.269 313 D HA 0.001 4.641 4.640 0.001 0.000 0.208 313 D C 0.628 176.902 176.300 -0.043 0.000 0.963 313 D CA 1.146 55.147 54.000 0.002 0.000 0.864 313 D CB 0.261 41.085 40.800 0.039 0.000 0.936 313 D HN 0.461 nan 8.370 nan 0.000 0.505 314 R N 0.393 120.826 120.500 -0.111 0.000 2.468 314 R HA 0.420 4.761 4.340 0.001 0.000 0.302 314 R C -0.925 175.413 176.300 0.062 0.000 1.041 314 R CA -0.469 55.449 56.100 -0.303 0.000 0.899 314 R CB 2.467 32.192 30.300 -0.958 0.000 1.167 314 R HN -0.147 nan 8.270 nan 0.000 0.483 315 V N 0.236 120.388 119.914 0.397 0.000 2.823 315 V HA 0.782 4.902 4.120 0.001 0.000 0.312 315 V C -1.064 175.485 176.094 0.759 0.000 1.072 315 V CA -1.058 61.496 62.300 0.423 0.000 0.937 315 V CB 1.631 33.524 31.823 0.116 0.000 1.013 315 V HN 0.719 nan 8.190 nan 0.000 0.430 316 Y N -0.070 120.475 120.300 0.407 0.000 2.588 316 Y HA 0.883 5.434 4.550 0.001 0.000 0.343 316 Y C -0.902 175.219 175.900 0.369 0.000 1.065 316 Y CA -1.266 57.112 58.100 0.464 0.000 1.038 316 Y CB 2.031 40.685 38.460 0.324 0.000 1.297 316 Y HN 0.896 nan 8.280 nan 0.000 0.467 317 E N 2.747 123.233 120.200 0.476 0.000 2.278 317 E HA 0.534 4.885 4.350 0.001 0.000 0.272 317 E C -1.905 174.858 176.600 0.272 0.000 0.890 317 E CA -0.702 55.844 56.400 0.243 0.000 0.770 317 E CB 1.550 31.483 29.700 0.388 0.000 1.212 317 E HN 0.779 nan 8.360 nan 0.000 0.415 318 I N 4.192 124.879 120.570 0.194 0.000 2.306 318 I HA 0.578 4.748 4.170 0.001 0.000 0.288 318 I C 0.417 176.586 176.117 0.086 0.000 1.036 318 I CA -0.330 61.076 61.300 0.177 0.000 1.221 318 I CB 1.326 39.453 38.000 0.212 0.000 1.385 318 I HN 0.550 nan 8.210 nan 0.000 0.472 319 G N 4.518 113.341 108.800 0.038 0.000 2.682 319 G HA2 0.574 4.534 3.960 0.001 0.000 0.290 319 G HA3 0.574 4.534 3.960 0.001 0.000 0.290 319 G C -1.504 173.320 174.900 -0.128 0.000 1.425 319 G CA -0.918 44.170 45.100 -0.019 0.000 0.807 319 G HN 0.374 nan 8.290 nan 0.000 0.482 320 R N 0.365 120.750 120.500 -0.191 0.000 2.438 320 R HA 0.473 4.814 4.340 0.001 0.000 0.287 320 R C -0.154 175.724 176.300 -0.703 0.000 1.077 320 R CA -0.069 55.752 56.100 -0.465 0.000 1.034 320 R CB 0.592 30.610 30.300 -0.469 0.000 0.993 320 R HN 0.423 nan 8.270 nan 0.000 0.459 321 Q N 3.420 122.601 119.800 -1.033 0.000 2.348 321 Q HA 0.420 4.761 4.340 0.001 0.000 0.271 321 Q C -1.009 174.272 176.000 -1.199 0.000 1.067 321 Q CA -0.493 54.704 55.803 -1.010 0.000 0.839 321 Q CB 1.735 29.880 28.738 -0.988 0.000 1.354 321 Q HN 0.445 nan 8.270 nan 0.000 0.447 322 F N 0.373 120.258 119.950 -0.107 0.000 2.518 322 F HA 0.563 5.091 4.527 0.001 0.000 0.323 322 F C 0.196 176.184 175.800 0.313 0.000 1.129 322 F CA -0.726 57.387 58.000 0.188 0.000 0.920 322 F CB 1.931 41.108 39.000 0.295 0.000 1.160 322 F HN 0.144 nan 8.300 nan 0.000 0.440 323 R N 1.207 122.039 120.500 0.554 0.000 2.532 323 R HA 0.229 4.570 4.340 0.001 0.000 0.297 323 R C -0.703 175.616 176.300 0.032 0.000 0.984 323 R CA -0.730 55.546 56.100 0.294 0.000 0.884 323 R CB 1.873 32.374 30.300 0.334 0.000 1.182 323 R HN 0.708 nan 8.270 nan 0.000 0.442 324 N N 3.511 121.938 118.700 -0.455 0.000 2.895 324 N HA -0.014 4.726 4.740 0.001 0.000 0.277 324 N C -0.838 174.523 175.510 -0.249 0.000 1.185 324 N CA -0.020 52.545 53.050 -0.808 0.000 1.106 324 N CB 0.411 38.266 38.487 -1.053 0.000 1.422 324 N HN 0.585 nan 8.380 nan 0.000 0.521 325 E N -0.061 120.096 120.200 -0.072 0.000 2.460 325 E HA 0.444 4.795 4.350 0.001 0.000 0.277 325 E C -0.559 176.060 176.600 0.031 0.000 1.010 325 E CA -1.348 55.040 56.400 -0.020 0.000 0.838 325 E CB 0.634 30.322 29.700 -0.020 0.000 1.448 325 E HN 0.129 nan 8.360 nan 0.000 0.462 326 G N 0.514 109.312 108.800 -0.002 0.000 2.476 326 G HA2 0.466 4.427 3.960 0.001 0.000 0.269 326 G HA3 0.466 4.427 3.960 0.001 0.000 0.269 326 G C -0.021 174.901 174.900 0.036 0.000 1.195 326 G CA -0.659 44.454 45.100 0.021 0.000 0.843 326 G HN 0.507 nan 8.290 nan 0.000 0.545 327 I N -0.500 120.112 120.570 0.070 0.000 2.532 327 I HA 0.759 4.930 4.170 0.001 0.000 0.292 327 I C -0.259 175.900 176.117 0.070 0.000 1.014 327 I CA -0.755 60.599 61.300 0.090 0.000 1.340 327 I CB 1.839 39.895 38.000 0.094 0.000 1.422 327 I HN 0.636 nan 8.210 nan 0.000 0.528 328 D N 3.450 123.909 120.400 0.100 0.000 2.946 328 D HA 0.224 4.864 4.640 0.001 0.000 0.337 328 D C 0.341 176.697 176.300 0.092 0.000 1.332 328 D CA -0.681 53.372 54.000 0.089 0.000 0.935 328 D CB 0.161 41.011 40.800 0.083 0.000 1.440 328 D HN 0.436 nan 8.370 nan 0.000 0.540 329 L N -0.643 120.628 121.223 0.080 0.000 2.349 329 L HA -0.014 4.327 4.340 0.001 0.000 0.220 329 L C 1.441 178.322 176.870 0.018 0.000 1.130 329 L CA 2.005 56.874 54.840 0.048 0.000 0.791 329 L CB -0.652 41.439 42.059 0.052 0.000 0.918 329 L HN 0.745 nan 8.230 nan 0.000 0.444 330 T N -6.423 108.144 114.554 0.022 0.000 3.058 330 T HA 0.171 4.521 4.350 0.001 0.000 0.278 330 T C 0.096 174.577 174.700 -0.364 0.000 0.974 330 T CA -0.413 61.598 62.100 -0.148 0.000 0.893 330 T CB 0.023 68.776 68.868 -0.190 0.000 1.138 330 T HN 0.141 nan 8.240 nan 0.000 0.529 331 H N 1.136 120.169 119.070 -0.063 0.000 2.609 331 H HA 0.732 5.288 4.556 0.001 0.000 0.344 331 H C -0.890 174.431 175.328 -0.013 0.000 1.040 331 H CA -0.606 55.396 56.048 -0.077 0.000 1.216 331 H CB 1.436 31.163 29.762 -0.059 0.000 1.529 331 H HN 0.171 nan 8.280 nan 0.000 0.519 332 N N 2.390 121.156 118.700 0.110 0.000 2.272 332 N HA 0.314 5.055 4.740 0.001 0.000 0.305 332 N C -2.031 173.651 175.510 0.288 0.000 1.103 332 N CA -2.220 50.932 53.050 0.171 0.000 0.791 332 N CB 2.089 40.660 38.487 0.139 0.000 1.356 332 N HN 0.211 nan 8.380 nan 0.000 0.486 333 P HA -0.043 nan 4.420 nan 0.000 0.223 333 P C -0.983 176.606 177.300 0.483 0.000 1.151 333 P CA 1.063 64.422 63.100 0.432 0.000 0.787 333 P CB 0.021 31.995 31.700 0.457 0.000 0.788 334 E N 0.292 120.688 120.200 0.326 0.000 2.222 334 E HA 0.571 4.922 4.350 0.001 0.000 0.267 334 E C -0.740 175.935 176.600 0.126 0.000 0.884 334 E CA -1.066 55.388 56.400 0.090 0.000 0.764 334 E CB 1.619 31.354 29.700 0.058 0.000 1.169 334 E HN 0.050 nan 8.360 nan 0.000 0.413 335 F N -1.345 118.516 119.950 -0.148 0.000 2.711 335 F HA 0.652 5.180 4.527 0.001 0.000 0.313 335 F C -1.155 174.565 175.800 -0.133 0.000 1.141 335 F CA -1.053 56.888 58.000 -0.098 0.000 0.941 335 F CB 1.585 40.548 39.000 -0.063 0.000 1.349 335 F HN 0.223 nan 8.300 nan 0.000 0.464 336 T N 1.041 115.642 114.554 0.079 0.000 2.823 336 T HA 0.680 5.030 4.350 0.001 0.000 0.279 336 T C -0.453 174.294 174.700 0.078 0.000 0.998 336 T CA -0.394 61.694 62.100 -0.022 0.000 0.994 336 T CB 1.481 70.360 68.868 0.018 0.000 0.960 336 T HN 0.949 nan 8.240 nan 0.000 0.448 337 T N -1.327 113.230 114.554 0.005 0.000 2.906 337 T HA 0.536 4.887 4.350 0.001 0.000 0.295 337 T C -0.614 174.123 174.700 0.062 0.000 1.075 337 T CA -0.872 61.250 62.100 0.038 0.000 1.005 337 T CB 1.259 70.141 68.868 0.023 0.000 1.136 337 T HN 0.700 nan 8.240 nan 0.000 0.498 338 C N 2.456 121.810 119.300 0.091 0.000 2.264 338 C HA 0.616 5.077 4.460 0.001 0.000 0.324 338 C C -0.148 174.975 174.990 0.221 0.000 1.267 338 C CA -0.288 58.877 59.018 0.245 0.000 1.618 338 C CB -0.973 27.007 27.740 0.401 0.000 2.278 338 C HN 0.906 nan 8.230 nan 0.000 0.499 339 E N 4.720 125.075 120.200 0.259 0.000 2.195 339 E HA 0.620 4.970 4.350 0.001 0.000 0.271 339 E C -1.042 175.857 176.600 0.498 0.000 0.923 339 E CA -0.308 56.213 56.400 0.202 0.000 0.790 339 E CB 2.082 31.809 29.700 0.045 0.000 1.155 339 E HN 0.722 nan 8.360 nan 0.000 0.402 340 F N -0.085 120.057 119.950 0.320 0.000 2.601 340 F HA 0.596 5.124 4.527 0.001 0.000 0.309 340 F C -1.735 174.126 175.800 0.102 0.000 1.089 340 F CA -1.094 57.135 58.000 0.382 0.000 0.940 340 F CB 1.125 40.190 39.000 0.108 0.000 1.273 340 F HN 0.239 nan 8.300 nan 0.000 0.450 341 Y N 3.679 124.426 120.300 0.746 0.000 2.376 341 Y HA 0.590 5.141 4.550 0.001 0.000 0.340 341 Y C -0.408 175.820 175.900 0.546 0.000 0.965 341 Y CA -1.210 57.195 58.100 0.508 0.000 1.078 341 Y CB 2.322 40.986 38.460 0.340 0.000 1.193 341 Y HN 0.816 nan 8.280 nan 0.000 0.452 342 M N 3.321 123.221 119.600 0.499 0.000 2.093 342 M HA 0.748 5.229 4.480 0.001 0.000 0.297 342 M C -0.990 175.396 176.300 0.143 0.000 0.938 342 M CA -0.684 54.795 55.300 0.297 0.000 0.920 342 M CB 0.839 33.689 32.600 0.418 0.000 1.517 342 M HN 0.836 nan 8.290 nan 0.000 0.427 343 A N 3.687 126.521 122.820 0.022 0.000 2.445 343 A HA 0.364 4.685 4.320 0.001 0.000 0.242 343 A C -0.311 177.204 177.584 -0.115 0.000 1.075 343 A CA 0.230 52.142 52.037 -0.207 0.000 0.777 343 A CB -0.263 18.499 19.000 -0.397 0.000 1.013 343 A HN 1.047 nan 8.150 nan 0.000 0.493 344 Y N -2.057 118.281 120.300 0.064 0.000 4.841 344 Y HA -0.214 4.337 4.550 0.001 0.000 0.242 344 Y C 0.834 176.769 175.900 0.058 0.000 1.002 344 Y CA 0.605 58.733 58.100 0.047 0.000 2.011 344 Y CB -2.208 36.269 38.460 0.027 0.000 1.554 344 Y HN 1.129 nan 8.280 nan 0.000 0.618 345 A N 0.682 123.592 122.820 0.149 0.000 2.306 345 A HA 0.693 5.014 4.320 0.001 0.000 0.330 345 A C 0.220 177.879 177.584 0.126 0.000 1.146 345 A CA 0.123 52.249 52.037 0.149 0.000 0.827 345 A CB 0.940 20.048 19.000 0.179 0.000 1.178 345 A HN 0.268 nan 8.150 nan 0.000 0.490 346 D N -1.101 119.382 120.400 0.138 0.000 2.621 346 D HA 0.271 4.912 4.640 0.001 0.000 0.255 346 D C 0.586 177.020 176.300 0.222 0.000 1.122 346 D CA -0.307 53.782 54.000 0.148 0.000 1.096 346 D CB -0.057 40.824 40.800 0.136 0.000 1.282 346 D HN 0.506 nan 8.370 nan 0.000 0.619 347 Y N -0.691 119.595 120.300 -0.023 0.000 2.352 347 Y HA 0.007 4.558 4.550 0.001 0.000 0.292 347 Y C 1.932 177.875 175.900 0.073 0.000 1.136 347 Y CA 1.417 59.554 58.100 0.062 0.000 1.227 347 Y CB -1.465 37.026 38.460 0.051 0.000 0.991 347 Y HN 0.507 nan 8.280 nan 0.000 0.545 348 H N 0.528 119.457 119.070 -0.234 0.000 2.353 348 H HA -0.139 4.418 4.556 0.001 0.000 0.300 348 H C 1.567 176.802 175.328 -0.155 0.000 1.090 348 H CA 1.284 57.127 56.048 -0.342 0.000 1.327 348 H CB 0.067 29.677 29.762 -0.255 0.000 1.383 348 H HN 0.372 nan 8.280 nan 0.000 0.508 349 D N 0.670 121.130 120.400 0.100 0.000 2.117 349 D HA -0.137 4.504 4.640 0.001 0.000 0.197 349 D C 2.187 178.545 176.300 0.095 0.000 0.987 349 D CA 0.815 54.867 54.000 0.087 0.000 0.829 349 D CB -0.208 40.663 40.800 0.117 0.000 0.961 349 D HN 0.376 nan 8.370 nan 0.000 0.460 350 L N 0.170 121.495 121.223 0.169 0.000 2.141 350 L HA -0.087 4.254 4.340 0.001 0.000 0.209 350 L C 2.619 179.593 176.870 0.173 0.000 1.094 350 L CA 0.596 55.589 54.840 0.256 0.000 0.763 350 L CB -0.366 41.932 42.059 0.398 0.000 0.908 350 L HN 0.025 nan 8.230 nan 0.000 0.437 351 M N -0.453 119.057 119.600 -0.151 0.000 2.149 351 M HA -0.230 4.251 4.480 0.001 0.000 0.261 351 M C 2.027 178.177 176.300 -0.250 0.000 1.064 351 M CA 1.816 56.704 55.300 -0.687 0.000 1.102 351 M CB -0.236 31.730 32.600 -1.057 0.000 1.369 351 M HN 0.246 nan 8.290 nan 0.000 0.408 352 E N 0.234 120.361 120.200 -0.122 0.000 2.076 352 E HA -0.078 4.273 4.350 0.001 0.000 0.190 352 E C 1.902 178.501 176.600 -0.002 0.000 0.979 352 E CA 0.890 57.251 56.400 -0.065 0.000 0.807 352 E CB 0.011 29.682 29.700 -0.047 0.000 0.761 352 E HN 0.463 nan 8.360 nan 0.000 0.454 353 I N 1.065 121.662 120.570 0.044 0.000 2.127 353 I HA -0.316 3.855 4.170 0.001 0.000 0.241 353 I C 2.402 178.529 176.117 0.016 0.000 1.075 353 I CA 1.286 62.631 61.300 0.076 0.000 1.334 353 I CB -0.499 37.543 38.000 0.070 0.000 1.040 353 I HN 0.142 nan 8.210 nan 0.000 0.405 354 T N 0.242 114.850 114.554 0.090 0.000 2.624 354 T HA -0.262 4.089 4.350 0.001 0.000 0.268 354 T C 1.743 176.555 174.700 0.187 0.000 1.041 354 T CA 1.834 64.100 62.100 0.277 0.000 1.159 354 T CB -0.379 68.905 68.868 0.694 0.000 0.863 354 T HN 0.421 nan 8.240 nan 0.000 0.434 355 E N 0.397 120.587 120.200 -0.015 0.000 2.118 355 E HA -0.156 4.194 4.350 0.001 0.000 0.195 355 E C 2.299 178.788 176.600 -0.185 0.000 0.992 355 E CA 0.998 57.089 56.400 -0.516 0.000 0.804 355 E CB -0.089 29.204 29.700 -0.679 0.000 0.741 355 E HN 0.419 nan 8.360 nan 0.000 0.458 356 K N 0.660 121.035 120.400 -0.042 0.000 2.031 356 K HA -0.109 4.212 4.320 0.001 0.000 0.205 356 K C 2.231 178.881 176.600 0.083 0.000 1.049 356 K CA 1.003 57.337 56.287 0.078 0.000 0.939 356 K CB -0.032 32.577 32.500 0.181 0.000 0.717 356 K HN 0.077 nan 8.250 nan 0.000 0.438 357 M N 0.610 120.110 119.600 -0.165 0.000 2.077 357 M HA -0.154 4.327 4.480 0.001 0.000 0.261 357 M C 1.896 178.174 176.300 -0.037 0.000 1.070 357 M CA 1.499 56.510 55.300 -0.482 0.000 1.125 357 M CB 0.043 32.097 32.600 -0.910 0.000 1.339 357 M HN 0.037 nan 8.290 nan 0.000 0.409 358 V N 0.661 120.656 119.914 0.135 0.000 2.295 358 V HA -0.254 3.867 4.120 0.001 0.000 0.246 358 V C 2.642 178.897 176.094 0.269 0.000 1.049 358 V CA 2.158 64.625 62.300 0.279 0.000 1.024 358 V CB -0.932 31.215 31.823 0.540 0.000 0.648 358 V HN 0.745 nan 8.190 nan 0.000 0.447 359 S N 0.689 116.616 115.700 0.378 0.000 2.383 359 S HA -0.070 4.400 4.470 0.001 0.000 0.227 359 S C 2.110 176.925 174.600 0.359 0.000 1.026 359 S CA 1.328 59.799 58.200 0.452 0.000 0.981 359 S CB -0.847 62.603 63.200 0.415 0.000 0.818 359 S HN 0.525 nan 8.310 nan 0.000 0.472 360 G N 1.425 110.381 108.800 0.260 0.000 2.422 360 G HA2 -0.131 3.830 3.960 0.001 0.000 0.218 360 G HA3 -0.131 3.830 3.960 0.001 0.000 0.218 360 G C 1.451 176.302 174.900 -0.082 0.000 1.146 360 G CA 0.916 46.152 45.100 0.226 0.000 0.769 360 G HN 0.506 nan 8.290 nan 0.000 0.547 361 M N 0.257 119.644 119.600 -0.355 0.000 2.099 361 M HA -0.041 4.440 4.480 0.001 0.000 0.262 361 M C 2.530 178.584 176.300 -0.410 0.000 1.067 361 M CA 1.246 56.038 55.300 -0.847 0.000 1.124 361 M CB -0.099 32.160 32.600 -0.568 0.000 1.353 361 M HN 0.106 nan 8.290 nan 0.000 0.410 362 V N 0.849 120.617 119.914 -0.244 0.000 2.343 362 V HA -0.271 3.850 4.120 0.001 0.000 0.247 362 V C 2.345 178.319 176.094 -0.200 0.000 1.051 362 V CA 2.041 64.192 62.300 -0.249 0.000 1.036 362 V CB -0.758 30.842 31.823 -0.372 0.000 0.654 362 V HN 0.458 nan 8.190 nan 0.000 0.451 363 K N -0.222 120.060 120.400 -0.197 0.000 2.002 363 K HA -0.206 4.115 4.320 0.001 0.000 0.209 363 K C 2.290 178.799 176.600 -0.152 0.000 1.048 363 K CA 1.786 57.906 56.287 -0.280 0.000 0.930 363 K CB -0.729 31.511 32.500 -0.433 0.000 0.714 363 K HN 0.602 nan 8.250 nan 0.000 0.438 364 H N 0.380 119.341 119.070 -0.182 0.000 2.289 364 H HA -0.169 4.388 4.556 0.001 0.000 0.294 364 H C 2.071 177.335 175.328 -0.107 0.000 1.095 364 H CA 2.498 58.481 56.048 -0.108 0.000 1.256 364 H CB -0.075 29.630 29.762 -0.095 0.000 1.359 364 H HN 0.410 nan 8.280 nan 0.000 0.487 365 I N -0.332 120.129 120.570 -0.182 0.000 2.703 365 I HA -0.061 4.110 4.170 0.001 0.000 0.259 365 I C 2.316 178.336 176.117 -0.161 0.000 1.151 365 I CA 1.581 62.764 61.300 -0.194 0.000 1.470 365 I CB -0.107 37.826 38.000 -0.111 0.000 1.112 365 I HN 0.221 nan 8.210 nan 0.000 0.437 366 T N -2.997 111.470 114.554 -0.145 0.000 3.022 366 T HA 0.492 4.843 4.350 0.001 0.000 0.250 366 T C 1.620 176.259 174.700 -0.101 0.000 1.060 366 T CA 0.493 62.529 62.100 -0.107 0.000 1.013 366 T CB 0.485 69.301 68.868 -0.087 0.000 0.982 366 T HN 0.707 nan 8.240 nan 0.000 0.508 367 G N 1.164 109.886 108.800 -0.130 0.000 2.284 367 G HA2 -0.189 3.771 3.960 0.001 0.000 0.230 367 G HA3 -0.189 3.771 3.960 0.001 0.000 0.230 367 G C 0.319 175.135 174.900 -0.140 0.000 1.021 367 G CA 0.454 45.484 45.100 -0.117 0.000 0.619 367 G HN 1.595 nan 8.290 nan 0.000 0.510 368 S N -1.593 114.018 115.700 -0.149 0.000 2.685 368 S HA 0.688 5.159 4.470 0.001 0.000 0.282 368 S C 0.386 174.877 174.600 -0.181 0.000 1.159 368 S CA -0.036 58.056 58.200 -0.179 0.000 0.833 368 S CB 0.922 64.097 63.200 -0.041 0.000 1.151 368 S HN 0.416 nan 8.310 nan 0.000 0.485 369 Y N 0.566 120.915 120.300 0.081 0.000 2.583 369 Y HA 0.303 4.854 4.550 0.001 0.000 0.293 369 Y C 0.936 176.957 175.900 0.203 0.000 1.157 369 Y CA 0.164 58.350 58.100 0.144 0.000 1.315 369 Y CB 0.177 38.736 38.460 0.164 0.000 1.021 369 Y HN 0.269 nan 8.280 nan 0.000 0.536 370 K N 1.374 121.924 120.400 0.250 0.000 2.235 370 K HA 0.479 4.800 4.320 0.001 0.000 0.266 370 K C -0.748 175.954 176.600 0.171 0.000 0.980 370 K CA -0.677 55.741 56.287 0.219 0.000 0.849 370 K CB 2.192 34.780 32.500 0.147 0.000 1.098 370 K HN -0.105 nan 8.250 nan 0.000 0.445 371 V N -0.684 119.360 119.914 0.218 0.000 2.960 371 V HA 0.551 4.671 4.120 0.001 0.000 0.315 371 V C -0.195 175.999 176.094 0.167 0.000 1.087 371 V CA -0.787 61.617 62.300 0.174 0.000 0.982 371 V CB 1.829 33.766 31.823 0.189 0.000 1.039 371 V HN 0.653 nan 8.190 nan 0.000 0.437 372 T N 2.976 117.613 114.554 0.139 0.000 2.882 372 T HA 0.517 4.868 4.350 0.001 0.000 0.287 372 T C -0.965 173.828 174.700 0.156 0.000 0.992 372 T CA 0.064 62.223 62.100 0.097 0.000 1.076 372 T CB 0.888 69.785 68.868 0.048 0.000 0.961 372 T HN 0.888 nan 8.240 nan 0.000 0.490 373 Y N 1.832 122.083 120.300 -0.083 0.000 2.338 373 Y HA 0.409 4.959 4.550 0.001 0.000 0.333 373 Y C -0.803 175.000 175.900 -0.161 0.000 0.968 373 Y CA -0.991 57.088 58.100 -0.034 0.000 1.123 373 Y CB 1.023 39.493 38.460 0.017 0.000 1.165 373 Y HN 0.783 nan 8.280 nan 0.000 0.452 374 H N 7.844 126.789 119.070 -0.208 0.000 2.643 374 H HA 0.241 4.798 4.556 0.001 0.000 0.259 374 H C -1.960 173.092 175.328 -0.460 0.000 1.298 374 H CA -2.142 53.738 56.048 -0.281 0.000 1.301 374 H CB 0.837 30.539 29.762 -0.101 0.000 1.422 374 H HN 0.556 nan 8.280 nan 0.000 0.521 375 P HA -0.155 nan 4.420 nan 0.000 0.221 375 P C 0.008 177.215 177.300 -0.155 0.000 1.145 375 P CA 1.201 63.990 63.100 -0.518 0.000 0.795 375 P CB 0.572 31.965 31.700 -0.512 0.000 0.775 376 D N -0.571 119.773 120.400 -0.094 0.000 2.891 376 D HA 0.336 4.977 4.640 0.001 0.000 0.332 376 D C 1.022 177.316 176.300 -0.010 0.000 1.369 376 D CA 0.129 54.110 54.000 -0.031 0.000 0.827 376 D CB 0.520 41.308 40.800 -0.020 0.000 1.141 376 D HN 0.077 nan 8.370 nan 0.000 0.464 377 G N 2.643 111.440 108.800 -0.006 0.000 2.855 377 G HA2 -0.229 3.731 3.960 0.001 0.000 0.352 377 G HA3 -0.229 3.731 3.960 0.001 0.000 0.352 377 G C -1.756 173.077 174.900 -0.112 0.000 1.415 377 G CA -0.557 44.516 45.100 -0.045 0.000 0.871 377 G HN 0.042 nan 8.290 nan 0.000 0.543 378 P HA 0.022 nan 4.420 nan 0.000 0.223 378 P C 0.864 178.046 177.300 -0.196 0.000 1.151 378 P CA 1.490 64.368 63.100 -0.369 0.000 0.787 378 P CB 0.116 31.641 31.700 -0.292 0.000 0.788 379 E N -0.124 120.016 120.200 -0.100 0.000 2.394 379 E HA 0.294 4.645 4.350 0.001 0.000 0.191 379 E C 0.968 177.562 176.600 -0.010 0.000 1.044 379 E CA -0.249 56.121 56.400 -0.050 0.000 0.939 379 E CB -0.154 29.518 29.700 -0.046 0.000 1.089 379 E HN 0.229 nan 8.360 nan 0.000 0.456 380 G N -0.507 108.307 108.800 0.024 0.000 3.175 380 G HA2 0.236 4.196 3.960 0.001 0.000 0.255 380 G HA3 0.236 4.196 3.960 0.001 0.000 0.255 380 G C -0.849 174.104 174.900 0.087 0.000 1.352 380 G CA -0.673 44.454 45.100 0.045 0.000 1.037 380 G HN 0.095 nan 8.290 nan 0.000 0.556 381 Q N -0.544 119.291 119.800 0.058 0.000 2.392 381 Q HA 0.460 4.801 4.340 0.001 0.000 0.262 381 Q C -0.249 175.757 176.000 0.009 0.000 1.003 381 Q CA -0.198 55.622 55.803 0.029 0.000 0.888 381 Q CB 0.850 29.619 28.738 0.052 0.000 1.260 381 Q HN 0.590 nan 8.270 nan 0.000 0.435 382 A N 4.022 126.768 122.820 -0.124 0.000 2.303 382 A HA 0.521 4.842 4.320 0.001 0.000 0.320 382 A C -1.799 175.633 177.584 -0.254 0.000 1.192 382 A CA -0.450 51.405 52.037 -0.303 0.000 0.821 382 A CB 0.557 19.382 19.000 -0.292 0.000 1.188 382 A HN 0.689 nan 8.150 nan 0.000 0.492 383 Y N 0.718 120.893 120.300 -0.208 0.000 2.387 383 Y HA 0.410 4.961 4.550 0.001 0.000 0.336 383 Y C -0.217 175.680 175.900 -0.005 0.000 1.067 383 Y CA -0.411 57.662 58.100 -0.045 0.000 1.114 383 Y CB 1.879 40.390 38.460 0.084 0.000 1.208 383 Y HN 0.701 nan 8.280 nan 0.000 0.458 384 D N 1.847 122.312 120.400 0.108 0.000 2.317 384 D HA 0.417 5.058 4.640 0.001 0.000 0.234 384 D C -1.148 175.209 176.300 0.095 0.000 1.112 384 D CA -0.034 54.019 54.000 0.088 0.000 0.840 384 D CB 1.136 41.959 40.800 0.039 0.000 1.078 384 D HN 0.138 nan 8.370 nan 0.000 0.486 385 V N 3.090 123.059 119.914 0.092 0.000 2.394 385 V HA 0.230 4.351 4.120 0.001 0.000 0.282 385 V C -0.198 175.883 176.094 -0.021 0.000 1.031 385 V CA -0.673 61.605 62.300 -0.038 0.000 0.881 385 V CB 1.644 33.399 31.823 -0.113 0.000 0.982 385 V HN 0.474 nan 8.190 nan 0.000 0.451 386 D N 3.304 123.616 120.400 -0.147 0.000 2.373 386 D HA 0.352 4.992 4.640 0.001 0.000 0.227 386 D C 0.101 176.291 176.300 -0.183 0.000 1.091 386 D CA -0.328 53.647 54.000 -0.042 0.000 0.840 386 D CB 1.025 41.807 40.800 -0.029 0.000 1.060 386 D HN 0.358 nan 8.370 nan 0.000 0.502 387 F N 1.196 121.161 119.950 0.024 0.000 2.765 387 F HA 0.109 4.637 4.527 0.001 0.000 0.302 387 F C 1.200 177.076 175.800 0.127 0.000 1.111 387 F CA -0.073 57.959 58.000 0.052 0.000 1.359 387 F CB 0.080 39.166 39.000 0.144 0.000 1.097 387 F HN 0.170 nan 8.300 nan 0.000 0.577 388 T N 3.859 118.435 114.554 0.037 0.000 2.831 388 T HA 0.045 4.395 4.350 0.001 0.000 0.291 388 T C -2.202 172.472 174.700 -0.044 0.000 0.981 388 T CA -0.878 61.055 62.100 -0.278 0.000 1.174 388 T CB 0.199 68.939 68.868 -0.214 0.000 0.929 388 T HN -0.123 nan 8.240 nan 0.000 0.532 389 P HA 0.292 nan 4.420 nan 0.000 0.272 389 P C -2.260 174.990 177.300 -0.084 0.000 1.230 389 P CA -1.418 61.605 63.100 -0.128 0.000 0.788 389 P CB -0.325 31.233 31.700 -0.237 0.000 0.949 390 P HA 0.332 nan 4.420 nan 0.000 0.284 390 P C -0.802 176.558 177.300 0.100 0.000 1.258 390 P CA -0.367 62.691 63.100 -0.068 0.000 0.824 390 P CB 0.511 32.188 31.700 -0.037 0.000 1.038 391 F N 0.387 120.311 119.950 -0.043 0.000 2.418 391 F HA 0.311 4.839 4.527 0.001 0.000 0.341 391 F C 1.790 177.542 175.800 -0.080 0.000 1.120 391 F CA -0.838 57.061 58.000 -0.168 0.000 1.232 391 F CB -0.101 38.624 39.000 -0.459 0.000 1.175 391 F HN 0.280 nan 8.300 nan 0.000 0.569 392 R N 1.712 122.256 120.500 0.072 0.000 2.679 392 R HA 0.205 4.546 4.340 0.001 0.000 0.268 392 R C -0.636 175.742 176.300 0.129 0.000 1.044 392 R CA -0.089 56.044 56.100 0.056 0.000 1.105 392 R CB 0.432 30.723 30.300 -0.015 0.000 0.989 392 R HN 0.662 nan 8.270 nan 0.000 0.447 393 R N 4.100 124.688 120.500 0.146 0.000 2.480 393 R HA 0.402 4.743 4.340 0.001 0.000 0.306 393 R C -0.757 175.619 176.300 0.126 0.000 0.958 393 R CA -0.487 55.730 56.100 0.196 0.000 0.861 393 R CB 1.466 31.877 30.300 0.185 0.000 1.171 393 R HN 0.555 nan 8.270 nan 0.000 0.445 394 I N -0.981 119.670 120.570 0.135 0.000 2.646 394 I HA 0.548 4.719 4.170 0.001 0.000 0.299 394 I C -0.667 175.516 176.117 0.109 0.000 1.036 394 I CA -1.240 60.114 61.300 0.090 0.000 1.074 394 I CB 2.160 40.188 38.000 0.047 0.000 1.258 394 I HN 0.263 nan 8.210 nan 0.000 0.430 395 N N 5.246 123.992 118.700 0.076 0.000 2.444 395 N HA 0.230 4.970 4.740 0.001 0.000 0.271 395 N C 0.592 176.114 175.510 0.019 0.000 1.069 395 N CA -0.441 52.649 53.050 0.067 0.000 0.965 395 N CB 1.859 40.372 38.487 0.044 0.000 1.092 395 N HN 0.922 nan 8.380 nan 0.000 0.476 396 M N 2.641 122.240 119.600 -0.002 0.000 2.082 396 M HA -0.209 4.272 4.480 0.001 0.000 0.258 396 M C 0.908 177.176 176.300 -0.054 0.000 1.071 396 M CA 2.048 57.309 55.300 -0.065 0.000 1.103 396 M CB 0.000 32.490 32.600 -0.183 0.000 1.307 396 M HN 0.273 nan 8.290 nan 0.000 0.409 397 V N 0.695 120.567 119.914 -0.070 0.000 2.358 397 V HA -0.245 3.876 4.120 0.001 0.000 0.246 397 V C 2.089 178.164 176.094 -0.031 0.000 1.047 397 V CA 2.221 64.487 62.300 -0.058 0.000 1.035 397 V CB -0.966 30.766 31.823 -0.152 0.000 0.658 397 V HN 0.548 nan 8.190 nan 0.000 0.452 398 E N -0.271 119.907 120.200 -0.035 0.000 2.051 398 E HA -0.206 4.145 4.350 0.001 0.000 0.192 398 E C 2.357 178.945 176.600 -0.020 0.000 0.991 398 E CA 1.234 57.620 56.400 -0.023 0.000 0.799 398 E CB -0.140 29.551 29.700 -0.016 0.000 0.748 398 E HN 0.503 nan 8.360 nan 0.000 0.449 399 E N 0.621 120.811 120.200 -0.016 0.000 2.150 399 E HA -0.164 4.187 4.350 0.001 0.000 0.193 399 E C 2.131 178.714 176.600 -0.029 0.000 0.985 399 E CA 0.488 56.878 56.400 -0.016 0.000 0.814 399 E CB -0.176 29.519 29.700 -0.009 0.000 0.752 399 E HN 0.150 nan 8.360 nan 0.000 0.466 400 L N 1.655 122.858 121.223 -0.032 0.000 2.056 400 L HA -0.142 4.199 4.340 0.001 0.000 0.207 400 L C 1.912 178.718 176.870 -0.107 0.000 1.078 400 L CA 1.788 56.596 54.840 -0.055 0.000 0.749 400 L CB -0.357 41.689 42.059 -0.023 0.000 0.901 400 L HN 0.011 nan 8.230 nan 0.000 0.433 401 E N -0.476 119.685 120.200 -0.065 0.000 2.085 401 E HA -0.267 4.084 4.350 0.001 0.000 0.194 401 E C 2.120 178.669 176.600 -0.085 0.000 0.994 401 E CA 1.571 57.929 56.400 -0.070 0.000 0.801 401 E CB -0.083 29.599 29.700 -0.031 0.000 0.743 401 E HN 0.510 nan 8.360 nan 0.000 0.453 402 K N 0.387 120.749 120.400 -0.064 0.000 2.057 402 K HA -0.098 4.223 4.320 0.001 0.000 0.207 402 K C 2.148 178.702 176.600 -0.077 0.000 1.049 402 K CA 1.146 57.400 56.287 -0.055 0.000 0.931 402 K CB -0.106 32.376 32.500 -0.031 0.000 0.714 402 K HN 0.048 nan 8.250 nan 0.000 0.440 403 A N 0.843 123.603 122.820 -0.101 0.000 1.930 403 A HA -0.113 4.207 4.320 0.001 0.000 0.217 403 A C 1.935 179.332 177.584 -0.312 0.000 1.175 403 A CA 1.166 53.131 52.037 -0.119 0.000 0.627 403 A CB -0.329 18.648 19.000 -0.040 0.000 0.815 403 A HN 0.102 nan 8.150 nan 0.000 0.443 404 L N -0.789 120.188 121.223 -0.410 0.000 2.291 404 L HA 0.126 4.466 4.340 0.001 0.000 0.214 404 L C 1.876 178.616 176.870 -0.216 0.000 1.120 404 L CA 1.260 55.836 54.840 -0.438 0.000 0.799 404 L CB -1.191 40.648 42.059 -0.366 0.000 0.925 404 L HN 0.656 nan 8.230 nan 0.000 0.446 405 G N -0.061 108.654 108.800 -0.142 0.000 2.283 405 G HA2 -0.343 3.617 3.960 0.001 0.000 0.280 405 G HA3 -0.343 3.617 3.960 0.001 0.000 0.280 405 G C 0.289 175.144 174.900 -0.075 0.000 1.029 405 G CA 0.901 45.951 45.100 -0.084 0.000 0.840 405 G HN 0.370 nan 8.290 nan 0.000 0.505 406 M N -1.563 117.986 119.600 -0.086 0.000 2.520 406 M HA 0.653 5.133 4.480 0.001 0.000 0.280 406 M C -1.201 175.068 176.300 -0.051 0.000 1.232 406 M CA -1.134 54.127 55.300 -0.064 0.000 0.892 406 M CB 1.542 34.100 32.600 -0.071 0.000 1.728 406 M HN 0.006 nan 8.290 nan 0.000 0.475 407 K N 2.732 123.114 120.400 -0.031 0.000 2.234 407 K HA 0.631 4.952 4.320 0.001 0.000 0.282 407 K C -1.451 175.148 176.600 -0.001 0.000 1.039 407 K CA -0.190 56.091 56.287 -0.011 0.000 0.928 407 K CB 0.763 33.260 32.500 -0.005 0.000 1.039 407 K HN 0.687 nan 8.250 nan 0.000 0.470 408 L N 5.402 126.645 121.223 0.033 0.000 2.431 408 L HA 0.499 4.839 4.340 0.001 0.000 0.260 408 L C -1.750 175.175 176.870 0.093 0.000 1.098 408 L CA -2.426 52.450 54.840 0.059 0.000 0.800 408 L CB 0.912 43.065 42.059 0.158 0.000 1.210 408 L HN 0.631 nan 8.230 nan 0.000 0.465 409 P HA -0.021 nan 4.420 nan 0.000 0.269 409 P C -0.587 176.863 177.300 0.251 0.000 1.217 409 P CA -0.200 62.962 63.100 0.103 0.000 0.783 409 P CB 0.366 32.070 31.700 0.006 0.000 0.898 410 E N -0.059 120.235 120.200 0.157 0.000 2.481 410 E HA -0.066 4.285 4.350 0.001 0.000 0.263 410 E C 0.972 177.688 176.600 0.194 0.000 0.992 410 E CA 0.542 57.016 56.400 0.123 0.000 0.938 410 E CB 0.411 30.153 29.700 0.070 0.000 0.933 410 E HN 0.516 nan 8.360 nan 0.000 0.453 411 T N 0.591 115.158 114.554 0.022 0.000 2.977 411 T HA -0.168 4.182 4.350 0.001 0.000 0.271 411 T C 1.145 175.850 174.700 0.008 0.000 1.105 411 T CA 1.095 63.095 62.100 -0.166 0.000 1.116 411 T CB -0.151 68.492 68.868 -0.376 0.000 0.878 411 T HN 0.512 nan 8.240 nan 0.000 0.509 412 N N 1.516 120.248 118.700 0.052 0.000 2.515 412 N HA 0.012 4.753 4.740 0.001 0.000 0.185 412 N C 1.246 176.817 175.510 0.102 0.000 1.109 412 N CA 0.338 53.424 53.050 0.059 0.000 0.903 412 N CB -0.486 38.019 38.487 0.030 0.000 0.969 412 N HN 0.458 nan 8.380 nan 0.000 0.450 413 L N -0.944 120.383 121.223 0.173 0.000 2.769 413 L HA 0.309 4.650 4.340 0.001 0.000 0.240 413 L C 0.633 177.605 176.870 0.169 0.000 1.163 413 L CA -0.285 54.637 54.840 0.137 0.000 0.962 413 L CB -0.201 41.911 42.059 0.089 0.000 1.258 413 L HN -0.156 nan 8.230 nan 0.000 0.513 414 F N 0.834 120.780 119.950 -0.007 0.000 2.699 414 F HA -0.057 4.471 4.527 0.001 0.000 0.298 414 F C 1.863 177.661 175.800 -0.003 0.000 1.154 414 F CA 0.898 58.895 58.000 -0.005 0.000 1.457 414 F CB -0.090 38.908 39.000 -0.002 0.000 1.106 414 F HN 0.152 nan 8.300 nan 0.000 0.585 415 E N -1.064 119.210 120.200 0.123 0.000 2.474 415 E HA 0.033 4.384 4.350 0.001 0.000 0.195 415 E C 0.838 177.446 176.600 0.014 0.000 1.039 415 E CA 0.054 56.488 56.400 0.058 0.000 0.881 415 E CB 0.152 29.884 29.700 0.055 0.000 0.970 415 E HN 0.198 nan 8.360 nan 0.000 0.486 416 T N -1.246 113.307 114.554 -0.003 0.000 2.913 416 T HA 0.101 4.452 4.350 0.001 0.000 0.287 416 T C 1.132 175.810 174.700 -0.038 0.000 1.008 416 T CA -0.638 61.452 62.100 -0.018 0.000 1.067 416 T CB 1.911 70.768 68.868 -0.018 0.000 0.996 416 T HN -0.148 nan 8.240 nan 0.000 0.513 417 E N 1.046 121.228 120.200 -0.030 0.000 2.130 417 E HA -0.219 4.132 4.350 0.001 0.000 0.196 417 E C 1.862 178.434 176.600 -0.048 0.000 0.998 417 E CA 1.915 58.294 56.400 -0.035 0.000 0.806 417 E CB -0.398 29.287 29.700 -0.025 0.000 0.738 417 E HN 0.897 nan 8.360 nan 0.000 0.459 418 E N -0.668 119.504 120.200 -0.046 0.000 2.110 418 E HA -0.116 4.234 4.350 0.001 0.000 0.193 418 E C 1.849 178.400 176.600 -0.081 0.000 0.988 418 E CA 1.893 58.262 56.400 -0.053 0.000 0.804 418 E CB -0.584 29.092 29.700 -0.041 0.000 0.745 418 E HN 0.285 nan 8.360 nan 0.000 0.458 419 T N 0.314 114.802 114.554 -0.111 0.000 2.821 419 T HA -0.096 4.255 4.350 0.001 0.000 0.267 419 T C 1.743 176.329 174.700 -0.191 0.000 1.046 419 T CA 1.079 63.062 62.100 -0.194 0.000 1.139 419 T CB -0.212 68.480 68.868 -0.293 0.000 0.871 419 T HN 0.156 nan 8.240 nan 0.000 0.454 420 R N 1.110 121.530 120.500 -0.133 0.000 2.070 420 R HA -0.083 4.258 4.340 0.001 0.000 0.233 420 R C 2.482 178.733 176.300 -0.083 0.000 1.137 420 R CA 1.260 57.298 56.100 -0.102 0.000 0.945 420 R CB -0.170 30.091 30.300 -0.066 0.000 0.845 420 R HN 0.139 nan 8.270 nan 0.000 0.430 421 K N 0.769 121.128 120.400 -0.068 0.000 2.074 421 K HA -0.160 4.161 4.320 0.001 0.000 0.209 421 K C 2.135 178.699 176.600 -0.060 0.000 1.048 421 K CA 1.563 57.818 56.287 -0.054 0.000 0.926 421 K CB -0.300 32.173 32.500 -0.045 0.000 0.713 421 K HN 0.268 nan 8.250 nan 0.000 0.444 422 I N 0.936 121.458 120.570 -0.080 0.000 2.226 422 I HA -0.309 3.862 4.170 0.001 0.000 0.245 422 I C 2.250 178.316 176.117 -0.085 0.000 1.100 422 I CA 1.042 62.293 61.300 -0.083 0.000 1.374 422 I CB -0.183 37.756 38.000 -0.102 0.000 1.057 422 I HN 0.103 nan 8.210 nan 0.000 0.413 423 L N -0.055 121.103 121.223 -0.108 0.000 2.141 423 L HA -0.204 4.137 4.340 0.001 0.000 0.209 423 L C 2.290 179.131 176.870 -0.048 0.000 1.094 423 L CA 0.980 55.767 54.840 -0.088 0.000 0.763 423 L CB -0.609 41.382 42.059 -0.114 0.000 0.908 423 L HN 0.309 nan 8.230 nan 0.000 0.437 424 D N 0.390 120.763 120.400 -0.046 0.000 2.097 424 D HA -0.201 4.439 4.640 0.001 0.000 0.197 424 D C 1.592 177.881 176.300 -0.019 0.000 0.984 424 D CA 1.383 55.367 54.000 -0.027 0.000 0.826 424 D CB 0.121 40.904 40.800 -0.028 0.000 0.973 424 D HN 0.225 nan 8.370 nan 0.000 0.460 425 D N 0.189 120.573 120.400 -0.026 0.000 2.117 425 D HA -0.104 4.537 4.640 0.001 0.000 0.197 425 D C 2.254 178.546 176.300 -0.014 0.000 0.987 425 D CA 0.476 54.464 54.000 -0.020 0.000 0.829 425 D CB -0.317 40.468 40.800 -0.025 0.000 0.961 425 D HN 0.362 nan 8.370 nan 0.000 0.460 426 I N 0.277 120.835 120.570 -0.021 0.000 2.226 426 I HA -0.296 3.875 4.170 0.001 0.000 0.245 426 I C 2.337 178.465 176.117 0.019 0.000 1.100 426 I CA 0.664 61.956 61.300 -0.013 0.000 1.374 426 I CB -0.141 37.839 38.000 -0.033 0.000 1.057 426 I HN 0.091 nan 8.210 nan 0.000 0.413 427 C N -0.110 119.203 119.300 0.022 0.000 2.432 427 C HA -0.114 4.346 4.460 0.001 0.000 0.277 427 C C 2.881 177.892 174.990 0.035 0.000 1.249 427 C CA 0.513 59.557 59.018 0.042 0.000 1.725 427 C CB -0.672 27.085 27.740 0.029 0.000 2.028 427 C HN 0.346 nan 8.230 nan 0.000 0.477 428 V N 1.639 121.563 119.914 0.017 0.000 2.233 428 V HA -0.264 3.857 4.120 0.001 0.000 0.247 428 V C 2.752 178.858 176.094 0.020 0.000 1.050 428 V CA 2.413 64.721 62.300 0.013 0.000 1.010 428 V CB -1.448 30.378 31.823 0.004 0.000 0.637 428 V HN 0.596 nan 8.190 nan 0.000 0.444 429 A N -0.764 122.067 122.820 0.018 0.000 1.978 429 A HA -0.208 4.113 4.320 0.001 0.000 0.220 429 A C 2.082 179.692 177.584 0.043 0.000 1.170 429 A CA 1.705 53.755 52.037 0.022 0.000 0.636 429 A CB -0.317 18.689 19.000 0.011 0.000 0.810 429 A HN 0.449 nan 8.150 nan 0.000 0.448 430 K N -1.438 119.004 120.400 0.070 0.000 2.374 430 K HA 0.405 4.726 4.320 0.001 0.000 0.196 430 K C 0.645 177.300 176.600 0.091 0.000 1.023 430 K CA 0.612 56.975 56.287 0.126 0.000 1.103 430 K CB -0.190 32.458 32.500 0.247 0.000 0.848 430 K HN 0.865 nan 8.250 nan 0.000 0.528 431 A N 0.760 123.610 122.820 0.050 0.000 2.739 431 A HA -0.141 4.180 4.320 0.001 0.000 0.296 431 A C 0.017 177.608 177.584 0.012 0.000 1.488 431 A CA 0.542 52.593 52.037 0.023 0.000 0.746 431 A CB -2.201 16.806 19.000 0.011 0.000 1.047 431 A HN 0.006 nan 8.150 nan 0.000 0.477 432 V N 2.071 122.001 119.914 0.028 0.000 2.328 432 V HA 0.369 4.490 4.120 0.001 0.000 0.278 432 V C 0.371 176.472 176.094 0.012 0.000 1.021 432 V CA -0.737 61.573 62.300 0.016 0.000 0.838 432 V CB 1.419 33.277 31.823 0.058 0.000 0.999 432 V HN 0.540 nan 8.190 nan 0.000 0.447 433 E N 2.244 122.444 120.200 -0.001 0.000 2.366 433 E HA 0.323 4.674 4.350 0.001 0.000 0.266 433 E C -0.361 176.240 176.600 0.002 0.000 1.051 433 E CA -0.158 56.242 56.400 -0.000 0.000 0.884 433 E CB 1.705 31.401 29.700 -0.005 0.000 1.006 433 E HN 0.680 nan 8.360 nan 0.000 0.417 434 C N 4.645 123.946 119.300 0.002 0.000 2.789 434 C HA 0.369 4.829 4.460 0.001 0.000 0.367 434 C C -2.681 172.309 174.990 -0.001 0.000 1.062 434 C CA -1.650 57.370 59.018 0.003 0.000 1.297 434 C CB 0.173 27.918 27.740 0.007 0.000 1.794 434 C HN 0.470 nan 8.230 nan 0.000 0.474 435 P HA 0.296 nan 4.420 nan 0.000 0.272 435 P C -2.507 174.790 177.300 -0.005 0.000 1.223 435 P CA -0.706 62.390 63.100 -0.005 0.000 0.784 435 P CB 0.170 31.865 31.700 -0.008 0.000 0.923 436 P HA 0.116 nan 4.420 nan 0.000 0.269 436 P C -2.322 174.974 177.300 -0.007 0.000 1.209 436 P CA -0.920 62.176 63.100 -0.006 0.000 0.776 436 P CB -0.861 30.835 31.700 -0.006 0.000 0.876 437 P HA 0.288 nan 4.420 nan 0.000 0.280 437 P C -0.350 176.948 177.300 -0.005 0.000 1.244 437 P CA -0.374 62.721 63.100 -0.007 0.000 0.784 437 P CB 0.891 32.586 31.700 -0.009 0.000 0.913 438 R N 1.281 121.777 120.500 -0.006 0.000 3.701 438 R HA 0.214 4.555 4.340 0.001 0.000 0.210 438 R C 0.722 177.017 176.300 -0.008 0.000 1.598 438 R CA -0.147 55.950 56.100 -0.006 0.000 1.427 438 R CB -0.429 29.867 30.300 -0.008 0.000 1.339 438 R HN 0.561 nan 8.270 nan 0.000 0.720 439 T N -3.074 111.478 114.554 -0.004 0.000 2.902 439 T HA 0.122 4.473 4.350 0.001 0.000 0.280 439 T C 1.483 176.181 174.700 -0.003 0.000 0.992 439 T CA -0.713 61.385 62.100 -0.004 0.000 1.015 439 T CB 1.731 70.601 68.868 0.003 0.000 1.044 439 T HN 0.106 nan 8.240 nan 0.000 0.520 440 T N 1.464 116.013 114.554 -0.007 0.000 2.684 440 T HA -0.095 4.256 4.350 0.001 0.000 0.267 440 T C 2.380 177.094 174.700 0.024 0.000 1.036 440 T CA 1.645 63.737 62.100 -0.014 0.000 1.148 440 T CB -0.904 67.950 68.868 -0.024 0.000 0.863 440 T HN 0.812 nan 8.240 nan 0.000 0.436 441 A N 1.792 124.637 122.820 0.042 0.000 1.883 441 A HA -0.178 4.143 4.320 0.001 0.000 0.217 441 A C 2.372 179.990 177.584 0.057 0.000 1.186 441 A CA 1.703 53.778 52.037 0.063 0.000 0.624 441 A CB -0.494 18.540 19.000 0.058 0.000 0.822 441 A HN 0.472 nan 8.150 nan 0.000 0.444 442 R N -0.818 119.705 120.500 0.039 0.000 2.119 442 R HA 0.129 4.470 4.340 0.001 0.000 0.222 442 R C 2.016 178.336 176.300 0.033 0.000 1.088 442 R CA 1.038 57.159 56.100 0.035 0.000 0.984 442 R CB -0.372 29.941 30.300 0.022 0.000 0.884 442 R HN 0.486 nan 8.270 nan 0.000 0.447 443 L N 0.112 121.349 121.223 0.024 0.000 2.072 443 L HA -0.144 4.196 4.340 0.001 0.000 0.205 443 L C 2.176 179.068 176.870 0.036 0.000 1.079 443 L CA 0.562 55.414 54.840 0.020 0.000 0.752 443 L CB -0.360 41.698 42.059 -0.001 0.000 0.906 443 L HN 0.127 nan 8.230 nan 0.000 0.436 444 L N 0.338 121.586 121.223 0.043 0.000 2.012 444 L HA -0.282 4.058 4.340 0.001 0.000 0.210 444 L C 2.141 179.053 176.870 0.070 0.000 1.073 444 L CA 1.970 56.852 54.840 0.069 0.000 0.748 444 L CB -0.723 41.398 42.059 0.103 0.000 0.891 444 L HN 0.253 nan 8.230 nan 0.000 0.431 445 D N -1.197 119.245 120.400 0.070 0.000 2.117 445 D HA -0.177 4.463 4.640 0.001 0.000 0.197 445 D C 2.055 178.391 176.300 0.060 0.000 0.987 445 D CA 0.954 54.998 54.000 0.073 0.000 0.829 445 D CB 0.168 41.020 40.800 0.085 0.000 0.961 445 D HN 0.082 nan 8.370 nan 0.000 0.460 446 K N 0.089 120.520 120.400 0.052 0.000 2.057 446 K HA -0.069 4.252 4.320 0.001 0.000 0.207 446 K C 2.368 179.000 176.600 0.055 0.000 1.049 446 K CA 0.506 56.817 56.287 0.041 0.000 0.931 446 K CB -0.704 31.815 32.500 0.032 0.000 0.714 446 K HN 0.313 nan 8.250 nan 0.000 0.440 447 L N 0.583 121.862 121.223 0.093 0.000 2.083 447 L HA -0.150 4.191 4.340 0.001 0.000 0.209 447 L C 2.378 179.366 176.870 0.196 0.000 1.083 447 L CA 0.712 55.665 54.840 0.188 0.000 0.752 447 L CB -0.401 41.754 42.059 0.160 0.000 0.899 447 L HN -0.113 nan 8.230 nan 0.000 0.433 448 V N -0.089 119.881 119.914 0.093 0.000 2.427 448 V HA -0.164 3.957 4.120 0.001 0.000 0.248 448 V C 2.579 178.658 176.094 -0.024 0.000 1.051 448 V CA 1.818 64.139 62.300 0.034 0.000 1.048 448 V CB -1.050 30.764 31.823 -0.015 0.000 0.666 448 V HN 0.564 nan 8.190 nan 0.000 0.456 449 G N -0.207 108.584 108.800 -0.015 0.000 2.422 449 G HA2 -0.301 3.659 3.960 0.001 0.000 0.218 449 G HA3 -0.301 3.659 3.960 0.001 0.000 0.218 449 G C 1.519 176.361 174.900 -0.097 0.000 1.146 449 G CA 1.102 46.174 45.100 -0.047 0.000 0.769 449 G HN 0.575 nan 8.290 nan 0.000 0.547 450 E N -0.458 119.669 120.200 -0.122 0.000 2.112 450 E HA 0.080 4.430 4.350 0.001 0.000 0.190 450 E C 1.787 178.112 176.600 -0.459 0.000 0.979 450 E CA 0.681 56.890 56.400 -0.319 0.000 0.814 450 E CB -0.244 29.196 29.700 -0.433 0.000 0.762 450 E HN 0.460 nan 8.360 nan 0.000 0.460 451 F N -0.813 119.100 119.950 -0.062 0.000 2.678 451 F HA 0.269 4.797 4.527 0.001 0.000 0.291 451 F C 1.580 177.327 175.800 -0.088 0.000 1.123 451 F CA 0.182 58.144 58.000 -0.063 0.000 1.395 451 F CB 0.491 39.463 39.000 -0.047 0.000 1.121 451 F HN -0.011 nan 8.300 nan 0.000 0.592 452 L N -1.370 119.860 121.223 0.011 0.000 2.586 452 L HA 0.149 4.490 4.340 0.001 0.000 0.204 452 L C 1.916 178.657 176.870 -0.216 0.000 1.053 452 L CA 0.319 55.108 54.840 -0.085 0.000 0.856 452 L CB -0.476 41.521 42.059 -0.104 0.000 1.192 452 L HN -0.102 nan 8.230 nan 0.000 0.484 453 E N 1.048 121.059 120.200 -0.315 0.000 2.110 453 E HA -0.183 4.167 4.350 0.001 0.000 0.193 453 E C 2.095 178.549 176.600 -0.243 0.000 0.988 453 E CA 1.728 57.835 56.400 -0.488 0.000 0.804 453 E CB -0.084 29.302 29.700 -0.524 0.000 0.745 453 E HN 0.437 nan 8.360 nan 0.000 0.458 454 V N -0.233 119.586 119.914 -0.159 0.000 2.913 454 V HA -0.121 4.000 4.120 0.001 0.000 0.260 454 V C 2.233 178.263 176.094 -0.106 0.000 1.098 454 V CA 1.789 64.024 62.300 -0.108 0.000 1.121 454 V CB -0.986 30.775 31.823 -0.103 0.000 0.714 454 V HN 0.294 nan 8.190 nan 0.000 0.487 455 T N -3.390 111.095 114.554 -0.115 0.000 3.107 455 T HA 0.108 4.459 4.350 0.001 0.000 0.249 455 T C 0.747 175.374 174.700 -0.121 0.000 1.096 455 T CA 0.377 62.417 62.100 -0.100 0.000 1.012 455 T CB -1.202 67.625 68.868 -0.069 0.000 0.977 455 T HN 0.530 nan 8.240 nan 0.000 0.527 456 C N 3.284 122.497 119.300 -0.145 0.000 2.210 456 C HA 0.457 4.918 4.460 0.001 0.000 0.377 456 C C 1.719 176.594 174.990 -0.192 0.000 1.037 456 C CA -1.102 57.825 59.018 -0.151 0.000 1.405 456 C CB -1.958 25.712 27.740 -0.117 0.000 1.802 456 C HN 0.495 nan 8.230 nan 0.000 0.495 457 I N 1.517 121.949 120.570 -0.230 0.000 2.522 457 I HA 0.043 4.214 4.170 0.001 0.000 0.240 457 I C 1.306 177.174 176.117 -0.414 0.000 1.078 457 I CA 0.913 62.026 61.300 -0.312 0.000 1.422 457 I CB -1.068 36.796 38.000 -0.227 0.000 1.188 457 I HN 0.520 nan 8.210 nan 0.000 0.442 458 N N 3.163 121.639 118.700 -0.374 0.000 2.415 458 N HA 0.106 4.846 4.740 0.001 0.000 0.248 458 N C -2.322 172.799 175.510 -0.647 0.000 1.271 458 N CA -0.976 51.750 53.050 -0.539 0.000 0.913 458 N CB -0.229 38.018 38.487 -0.400 0.000 1.129 458 N HN 0.079 nan 8.380 nan 0.000 0.444 459 P HA 0.012 nan 4.420 nan 0.000 0.261 459 P C -0.714 176.131 177.300 -0.759 0.000 1.183 459 P CA 0.502 62.953 63.100 -1.081 0.000 0.761 459 P CB 0.183 30.697 31.700 -1.976 0.000 0.785 460 T N 3.981 118.242 114.554 -0.487 0.000 2.971 460 T HA 0.422 4.773 4.350 0.001 0.000 0.304 460 T C -0.555 174.080 174.700 -0.108 0.000 1.038 460 T CA -0.216 61.736 62.100 -0.247 0.000 1.007 460 T CB 0.449 69.248 68.868 -0.116 0.000 1.055 460 T HN -0.000 nan 8.240 nan 0.000 0.451 461 F N 2.674 122.708 119.950 0.139 0.000 2.420 461 F HA 0.506 5.034 4.527 0.001 0.000 0.352 461 F C 0.600 176.538 175.800 0.230 0.000 1.108 461 F CA -1.234 56.887 58.000 0.202 0.000 1.162 461 F CB 0.465 39.490 39.000 0.043 0.000 1.118 461 F HN 0.335 nan 8.300 nan 0.000 0.510 462 I N 3.973 124.868 120.570 0.541 0.000 2.321 462 I HA 0.317 4.487 4.170 0.001 0.000 0.291 462 I C -0.629 175.813 176.117 0.542 0.000 0.998 462 I CA -0.252 61.285 61.300 0.395 0.000 1.227 462 I CB 0.773 38.936 38.000 0.272 0.000 1.368 462 I HN 0.546 nan 8.210 nan 0.000 0.466 463 C N 3.734 123.279 119.300 0.409 0.000 2.595 463 C HA 0.429 4.890 4.460 0.001 0.000 0.338 463 C C -0.114 175.116 174.990 0.400 0.000 1.219 463 C CA -0.415 58.897 59.018 0.488 0.000 1.811 463 C CB 1.215 29.197 27.740 0.404 0.000 2.313 463 C HN 0.887 nan 8.230 nan 0.000 0.499 464 D N 0.617 121.298 120.400 0.468 0.000 2.737 464 D HA -0.120 4.520 4.640 0.001 0.000 0.243 464 D C -0.450 175.979 176.300 0.215 0.000 1.109 464 D CA 0.883 55.055 54.000 0.287 0.000 0.702 464 D CB -1.712 39.181 40.800 0.156 0.000 1.068 464 D HN 0.715 nan 8.370 nan 0.000 0.432 465 H N -0.565 118.541 119.070 0.059 0.000 2.928 465 H HA 0.260 4.817 4.556 0.001 0.000 0.338 465 H C -1.818 173.493 175.328 -0.028 0.000 1.047 465 H CA -0.940 55.125 56.048 0.028 0.000 1.435 465 H CB -0.140 29.653 29.762 0.052 0.000 1.428 465 H HN 0.045 nan 8.280 nan 0.000 0.590 466 P HA -0.098 nan 4.420 nan 0.000 0.266 466 P C 0.747 178.073 177.300 0.045 0.000 1.186 466 P CA 0.146 63.233 63.100 -0.023 0.000 0.767 466 P CB 0.678 32.373 31.700 -0.008 0.000 0.820 467 Q N 3.373 123.190 119.800 0.028 0.000 2.170 467 Q HA -0.165 4.176 4.340 0.001 0.000 0.203 467 Q C 1.634 177.654 176.000 0.032 0.000 0.976 467 Q CA 1.573 57.391 55.803 0.025 0.000 0.858 467 Q CB -0.979 27.780 28.738 0.035 0.000 0.907 467 Q HN 0.508 nan 8.270 nan 0.000 0.433 468 I N 0.042 120.653 120.570 0.069 0.000 2.454 468 I HA -0.211 3.960 4.170 0.001 0.000 0.254 468 I C 1.661 177.819 176.117 0.069 0.000 1.156 468 I CA 1.138 62.482 61.300 0.073 0.000 1.433 468 I CB 0.036 38.101 38.000 0.108 0.000 1.082 468 I HN 0.452 nan 8.210 nan 0.000 0.432 469 M N -1.962 117.690 119.600 0.086 0.000 2.431 469 M HA 0.282 4.763 4.480 0.001 0.000 0.237 469 M C -0.134 176.199 176.300 0.055 0.000 1.130 469 M CA 0.249 55.602 55.300 0.088 0.000 1.002 469 M CB 0.265 32.944 32.600 0.132 0.000 1.524 469 M HN -0.001 nan 8.290 nan 0.000 0.482 470 S N 2.067 117.765 115.700 -0.003 0.000 2.317 470 S HA 0.325 4.796 4.470 0.001 0.000 0.144 470 S C -2.187 172.316 174.600 -0.162 0.000 1.660 470 S CA -0.796 57.337 58.200 -0.112 0.000 1.273 470 S CB 0.858 63.958 63.200 -0.167 0.000 1.330 470 S HN 0.236 nan 8.310 nan 0.000 0.395 471 P HA 0.082 nan 4.420 nan 0.000 0.234 471 P C 0.474 177.669 177.300 -0.175 0.000 1.167 471 P CA 0.547 63.585 63.100 -0.103 0.000 0.763 471 P CB 0.068 31.755 31.700 -0.022 0.000 0.835 472 L N -2.336 118.746 121.223 -0.234 0.000 2.966 472 L HA 0.389 4.729 4.340 0.001 0.000 0.262 472 L C 1.012 177.663 176.870 -0.364 0.000 1.165 472 L CA -0.369 54.354 54.840 -0.196 0.000 0.978 472 L CB 0.216 42.272 42.059 -0.005 0.000 1.337 472 L HN -0.212 nan 8.230 nan 0.000 0.563 473 A N 0.611 123.016 122.820 -0.691 0.000 2.302 473 A HA 0.421 4.742 4.320 0.001 0.000 0.285 473 A C -0.035 177.381 177.584 -0.280 0.000 1.105 473 A CA -0.282 51.318 52.037 -0.728 0.000 0.816 473 A CB 0.596 19.035 19.000 -0.935 0.000 1.067 473 A HN 0.128 nan 8.150 nan 0.000 0.489 474 K N 1.564 121.824 120.400 -0.233 0.000 2.298 474 K HA 0.253 4.574 4.320 0.001 0.000 0.280 474 K C -0.177 176.275 176.600 -0.246 0.000 1.032 474 K CA -0.368 55.756 56.287 -0.271 0.000 0.958 474 K CB 0.330 32.535 32.500 -0.491 0.000 0.978 474 K HN 0.718 nan 8.250 nan 0.000 0.472 475 W N 3.338 124.584 121.300 -0.090 0.000 2.377 475 W HA -0.051 4.610 4.660 0.001 0.000 0.341 475 W C -0.137 176.360 176.519 -0.036 0.000 1.240 475 W CA -0.477 56.837 57.345 -0.051 0.000 1.311 475 W CB -0.154 29.289 29.460 -0.029 0.000 1.175 475 W HN 0.590 nan 8.180 nan 0.000 0.571 476 H N 3.407 122.479 119.070 0.003 0.000 2.732 476 H HA 0.139 4.696 4.556 0.001 0.000 0.351 476 H C 1.853 177.205 175.328 0.039 0.000 1.090 476 H CA 0.145 56.150 56.048 -0.071 0.000 1.431 476 H CB 1.018 30.767 29.762 -0.021 0.000 1.447 476 H HN 0.646 nan 8.280 nan 0.000 0.582 477 R N 1.579 121.991 120.500 -0.147 0.000 2.275 477 R HA -0.004 4.337 4.340 0.001 0.000 0.199 477 R C 0.608 177.032 176.300 0.206 0.000 0.989 477 R CA 1.135 57.259 56.100 0.041 0.000 1.016 477 R CB 0.243 30.494 30.300 -0.081 0.000 0.918 477 R HN 0.538 nan 8.270 nan 0.000 0.473 478 S N -0.666 115.274 115.700 0.399 0.000 2.628 478 S HA 0.239 4.709 4.470 0.001 0.000 0.246 478 S C 0.150 174.884 174.600 0.223 0.000 1.062 478 S CA -0.661 57.717 58.200 0.296 0.000 1.028 478 S CB 0.445 63.795 63.200 0.251 0.000 0.985 478 S HN 0.145 nan 8.310 nan 0.000 0.551 479 K N 2.514 123.050 120.400 0.226 0.000 2.404 479 K HA 0.356 4.677 4.320 0.001 0.000 0.257 479 K C -0.752 175.850 176.600 0.002 0.000 1.026 479 K CA -0.349 55.900 56.287 -0.063 0.000 0.951 479 K CB 1.165 33.404 32.500 -0.435 0.000 1.203 479 K HN 0.161 nan 8.250 nan 0.000 0.446 480 E N 0.872 121.088 120.200 0.028 0.000 2.465 480 E HA -0.042 4.309 4.350 0.001 0.000 0.260 480 E C 1.015 177.610 176.600 -0.009 0.000 0.980 480 E CA 1.318 57.738 56.400 0.034 0.000 0.927 480 E CB 1.018 30.730 29.700 0.021 0.000 0.934 480 E HN 0.917 nan 8.360 nan 0.000 0.459 481 G N 3.085 111.893 108.800 0.013 0.000 2.241 481 G HA2 -0.258 3.702 3.960 0.001 0.000 0.244 481 G HA3 -0.258 3.702 3.960 0.001 0.000 0.244 481 G C 0.371 175.245 174.900 -0.044 0.000 0.998 481 G CA 0.304 45.395 45.100 -0.015 0.000 0.621 481 G HN 0.414 nan 8.290 nan 0.000 0.519 482 L N 0.780 121.979 121.223 -0.041 0.000 2.397 482 L HA 0.822 5.162 4.340 0.001 0.000 0.266 482 L C 1.042 177.951 176.870 0.064 0.000 1.040 482 L CA -0.263 54.553 54.840 -0.040 0.000 0.800 482 L CB 1.677 43.651 42.059 -0.142 0.000 1.324 482 L HN 0.416 nan 8.230 nan 0.000 0.469 483 T N -3.658 110.927 114.554 0.051 0.000 2.864 483 T HA 0.364 4.714 4.350 0.001 0.000 0.289 483 T C -0.593 174.042 174.700 -0.107 0.000 1.082 483 T CA -0.917 61.172 62.100 -0.019 0.000 1.009 483 T CB 1.697 70.503 68.868 -0.103 0.000 1.234 483 T HN 0.509 nan 8.240 nan 0.000 0.526 484 E N 0.980 120.933 120.200 -0.412 0.000 2.026 484 E HA 0.331 4.682 4.350 0.001 0.000 0.253 484 E C -0.235 175.867 176.600 -0.830 0.000 1.056 484 E CA -0.319 55.410 56.400 -1.118 0.000 0.927 484 E CB 0.571 29.544 29.700 -1.212 0.000 1.172 484 E HN 0.385 nan 8.360 nan 0.000 0.445 485 R N 2.853 123.148 120.500 -0.342 0.000 2.651 485 R HA 0.490 4.830 4.340 0.001 0.000 0.278 485 R C -1.466 174.992 176.300 0.263 0.000 1.010 485 R CA -0.609 55.470 56.100 -0.036 0.000 0.896 485 R CB 1.160 31.358 30.300 -0.170 0.000 1.211 485 R HN 0.267 nan 8.270 nan 0.000 0.456 486 F N -0.293 119.756 119.950 0.165 0.000 2.629 486 F HA 0.657 5.185 4.527 0.001 0.000 0.316 486 F C -1.337 174.572 175.800 0.181 0.000 1.081 486 F CA -0.919 57.230 58.000 0.248 0.000 0.954 486 F CB 2.016 41.159 39.000 0.238 0.000 1.337 486 F HN 0.405 nan 8.300 nan 0.000 0.474 487 E N 1.971 122.564 120.200 0.655 0.000 2.256 487 E HA 0.433 4.783 4.350 0.001 0.000 0.268 487 E C -1.884 175.085 176.600 0.616 0.000 0.877 487 E CA -1.122 55.557 56.400 0.464 0.000 0.757 487 E CB 3.038 32.986 29.700 0.413 0.000 1.183 487 E HN 0.699 nan 8.360 nan 0.000 0.418 488 L N 3.458 124.915 121.223 0.390 0.000 2.292 488 L HA 0.472 4.812 4.340 0.001 0.000 0.284 488 L C -1.588 175.188 176.870 -0.157 0.000 1.065 488 L CA 0.136 55.102 54.840 0.211 0.000 0.806 488 L CB 0.114 42.305 42.059 0.220 0.000 1.175 488 L HN 0.386 nan 8.230 nan 0.000 0.431 489 F N 4.392 124.293 119.950 -0.082 0.000 2.495 489 F HA 0.684 5.212 4.527 0.001 0.000 0.327 489 F C -0.344 175.276 175.800 -0.300 0.000 1.103 489 F CA -0.590 57.327 58.000 -0.139 0.000 0.949 489 F CB 2.149 41.090 39.000 -0.098 0.000 1.142 489 F HN 0.123 nan 8.300 nan 0.000 0.457 490 V N 4.546 124.339 119.914 -0.201 0.000 2.623 490 V HA 0.254 4.375 4.120 0.001 0.000 0.304 490 V C -0.025 175.846 176.094 -0.371 0.000 1.054 490 V CA -1.318 60.716 62.300 -0.444 0.000 0.882 490 V CB 1.787 33.169 31.823 -0.735 0.000 1.002 490 V HN 0.825 nan 8.190 nan 0.000 0.424 491 M N 4.341 123.647 119.600 -0.490 0.000 2.302 491 M HA -0.251 4.230 4.480 0.001 0.000 0.200 491 M C 0.726 176.849 176.300 -0.295 0.000 0.366 491 M CA 0.886 55.789 55.300 -0.662 0.000 0.440 491 M CB -1.497 30.539 32.600 -0.940 0.000 1.475 491 M HN 0.907 nan 8.290 nan 0.000 0.905 492 K N -3.089 117.230 120.400 -0.135 0.000 3.512 492 K HA -0.164 4.157 4.320 0.001 0.000 0.309 492 K C -0.417 176.260 176.600 0.129 0.000 1.350 492 K CA 1.466 57.758 56.287 0.008 0.000 0.960 492 K CB -0.952 31.553 32.500 0.009 0.000 1.290 492 K HN 0.608 nan 8.250 nan 0.000 0.454 493 K N 1.340 121.807 120.400 0.112 0.000 2.324 493 K HA 0.265 4.585 4.320 0.001 0.000 0.253 493 K C -0.556 175.968 176.600 -0.127 0.000 0.932 493 K CA -0.711 55.608 56.287 0.053 0.000 0.799 493 K CB 2.084 34.573 32.500 -0.019 0.000 1.154 493 K HN 0.090 nan 8.250 nan 0.000 0.425 494 E N 3.290 123.272 120.200 -0.362 0.000 2.376 494 E HA -0.007 4.344 4.350 0.001 0.000 0.266 494 E C 0.249 176.562 176.600 -0.478 0.000 1.009 494 E CA -0.067 55.780 56.400 -0.920 0.000 0.902 494 E CB 0.519 29.804 29.700 -0.691 0.000 0.972 494 E HN 0.413 nan 8.360 nan 0.000 0.439 495 I N 3.064 123.370 120.570 -0.440 0.000 3.366 495 I HA 0.068 4.239 4.170 0.001 0.000 0.267 495 I C 0.661 176.629 176.117 -0.248 0.000 1.149 495 I CA 0.325 61.502 61.300 -0.205 0.000 1.436 495 I CB -0.573 37.408 38.000 -0.030 0.000 1.379 495 I HN 0.452 nan 8.210 nan 0.000 0.460 496 C N 1.354 120.500 119.300 -0.257 0.000 2.707 496 C HA 0.663 5.124 4.460 0.001 0.000 0.313 496 C C 0.046 174.830 174.990 -0.345 0.000 1.209 496 C CA -0.718 58.065 59.018 -0.393 0.000 1.635 496 C CB 1.797 29.356 27.740 -0.302 0.000 2.206 496 C HN 0.427 nan 8.230 nan 0.000 0.485 497 N N 0.672 119.066 118.700 -0.511 0.000 2.430 497 N HA 0.742 5.482 4.740 0.001 0.000 0.290 497 N C -1.135 173.959 175.510 -0.692 0.000 1.063 497 N CA 0.077 52.858 53.050 -0.448 0.000 0.883 497 N CB 1.736 40.050 38.487 -0.289 0.000 1.465 497 N HN 1.086 nan 8.380 nan 0.000 0.493 498 A N 2.258 124.579 122.820 -0.832 0.000 2.606 498 A HA 0.801 5.121 4.320 0.001 0.000 0.293 498 A C -1.982 175.183 177.584 -0.698 0.000 1.082 498 A CA -0.627 50.830 52.037 -0.967 0.000 0.685 498 A CB 1.018 19.390 19.000 -1.047 0.000 1.284 498 A HN 0.723 nan 8.150 nan 0.000 0.408 499 Y N -1.839 118.253 120.300 -0.347 0.000 2.641 499 Y HA 0.669 5.220 4.550 0.001 0.000 0.333 499 Y C -0.005 175.812 175.900 -0.139 0.000 1.174 499 Y CA -0.502 57.455 58.100 -0.238 0.000 1.057 499 Y CB 0.852 39.157 38.460 -0.257 0.000 1.322 499 Y HN 0.912 nan 8.280 nan 0.000 0.457 500 T N 1.522 116.100 114.554 0.039 0.000 2.916 500 T HA 0.177 4.527 4.350 0.001 0.000 0.303 500 T C -0.311 174.437 174.700 0.079 0.000 1.025 500 T CA -0.468 61.641 62.100 0.015 0.000 1.142 500 T CB 0.291 69.107 68.868 -0.087 0.000 0.947 500 T HN 0.588 nan 8.240 nan 0.000 0.544 501 E N 2.977 123.251 120.200 0.123 0.000 2.313 501 E HA 0.182 4.532 4.350 0.001 0.000 0.276 501 E C 0.003 176.638 176.600 0.058 0.000 1.031 501 E CA -0.702 55.818 56.400 0.200 0.000 0.857 501 E CB 1.122 30.974 29.700 0.254 0.000 1.040 501 E HN 0.638 nan 8.360 nan 0.000 0.408 502 L N 4.346 125.602 121.223 0.056 0.000 2.477 502 L HA 0.010 4.351 4.340 0.001 0.000 0.272 502 L C 0.681 177.600 176.870 0.083 0.000 1.157 502 L CA 0.274 55.134 54.840 0.034 0.000 0.889 502 L CB -0.116 41.962 42.059 0.032 0.000 1.158 502 L HN 0.422 nan 8.230 nan 0.000 0.473 503 N N 1.644 120.381 118.700 0.062 0.000 2.170 503 N HA 0.068 4.808 4.740 0.001 0.000 0.222 503 N C -0.421 175.127 175.510 0.063 0.000 1.218 503 N CA -0.352 52.729 53.050 0.052 0.000 0.889 503 N CB -0.091 38.413 38.487 0.028 0.000 1.083 503 N HN 0.580 nan 8.380 nan 0.000 0.520 504 D N 2.522 123.001 120.400 0.131 0.000 2.347 504 D HA 0.202 4.842 4.640 0.001 0.000 0.235 504 D C -1.454 174.870 176.300 0.040 0.000 1.149 504 D CA -1.831 52.240 54.000 0.119 0.000 0.850 504 D CB 2.133 43.067 40.800 0.224 0.000 1.061 504 D HN 0.017 nan 8.370 nan 0.000 0.487 505 P HA -0.132 nan 4.420 nan 0.000 0.218 505 P C 1.618 178.908 177.300 -0.017 0.000 1.149 505 P CA 0.718 63.797 63.100 -0.035 0.000 0.817 505 P CB 0.307 31.976 31.700 -0.050 0.000 0.785 506 M N -0.447 119.143 119.600 -0.016 0.000 2.132 506 M HA -0.055 4.426 4.480 0.001 0.000 0.263 506 M C 2.280 178.563 176.300 -0.029 0.000 1.065 506 M CA 1.527 56.815 55.300 -0.021 0.000 1.122 506 M CB -1.232 31.348 32.600 -0.032 0.000 1.365 506 M HN -0.015 nan 8.290 nan 0.000 0.411 507 R N -0.407 120.072 120.500 -0.036 0.000 2.090 507 R HA -0.131 4.209 4.340 0.001 0.000 0.228 507 R C 2.212 178.475 176.300 -0.061 0.000 1.110 507 R CA 0.965 57.035 56.100 -0.049 0.000 0.973 507 R CB -0.324 29.952 30.300 -0.040 0.000 0.869 507 R HN 0.300 nan 8.270 nan 0.000 0.440 508 Q N 1.283 121.040 119.800 -0.071 0.000 2.084 508 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 508 Q C 2.008 177.860 176.000 -0.247 0.000 0.978 508 Q CA 1.650 57.330 55.803 -0.204 0.000 0.844 508 Q CB -0.130 28.522 28.738 -0.144 0.000 0.898 508 Q HN 0.139 nan 8.270 nan 0.000 0.426 509 R N -0.581 119.896 120.500 -0.037 0.000 2.073 509 R HA -0.207 4.134 4.340 0.001 0.000 0.234 509 R C 2.228 178.572 176.300 0.074 0.000 1.134 509 R CA 1.761 57.920 56.100 0.099 0.000 0.952 509 R CB -0.198 30.159 30.300 0.095 0.000 0.850 509 R HN 0.276 nan 8.270 nan 0.000 0.433 510 Q N 0.808 120.615 119.800 0.012 0.000 2.084 510 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 510 Q C 1.956 177.961 176.000 0.008 0.000 0.978 510 Q CA 1.714 57.523 55.803 0.009 0.000 0.844 510 Q CB -0.313 28.415 28.738 -0.018 0.000 0.898 510 Q HN 0.476 nan 8.270 nan 0.000 0.426 511 L N -0.855 120.341 121.223 -0.045 0.000 2.093 511 L HA -0.103 4.237 4.340 0.001 0.000 0.208 511 L C 2.212 179.096 176.870 0.023 0.000 1.085 511 L CA 1.046 55.852 54.840 -0.057 0.000 0.755 511 L CB -0.474 41.501 42.059 -0.141 0.000 0.904 511 L HN 0.270 nan 8.230 nan 0.000 0.435 512 F N 0.457 120.431 119.950 0.041 0.000 2.146 512 F HA -0.209 4.319 4.527 0.001 0.000 0.298 512 F C 2.537 178.349 175.800 0.020 0.000 1.096 512 F CA 0.826 58.850 58.000 0.041 0.000 1.275 512 F CB -0.044 38.996 39.000 0.067 0.000 1.008 512 F HN 0.102 nan 8.300 nan 0.000 0.480 513 E N 0.352 120.678 120.200 0.210 0.000 2.077 513 E HA -0.234 4.117 4.350 0.001 0.000 0.193 513 E C 1.891 178.532 176.600 0.068 0.000 0.989 513 E CA 1.497 57.964 56.400 0.111 0.000 0.800 513 E CB -0.202 29.545 29.700 0.078 0.000 0.746 513 E HN 0.515 nan 8.360 nan 0.000 0.452 514 E N 0.589 120.825 120.200 0.060 0.000 2.085 514 E HA -0.216 4.135 4.350 0.001 0.000 0.194 514 E C 2.223 178.844 176.600 0.035 0.000 0.994 514 E CA 0.849 57.271 56.400 0.037 0.000 0.801 514 E CB 0.010 29.727 29.700 0.028 0.000 0.743 514 E HN 0.172 nan 8.360 nan 0.000 0.453 515 Q N 0.062 119.901 119.800 0.064 0.000 2.096 515 Q HA -0.141 4.200 4.340 0.001 0.000 0.204 515 Q C 2.230 178.224 176.000 -0.010 0.000 0.982 515 Q CA 1.500 57.331 55.803 0.048 0.000 0.850 515 Q CB -0.326 28.483 28.738 0.120 0.000 0.901 515 Q HN 0.303 nan 8.270 nan 0.000 0.422 516 A N 1.884 124.703 122.820 -0.001 0.000 1.930 516 A HA -0.197 4.123 4.320 0.001 0.000 0.217 516 A C 2.096 179.648 177.584 -0.052 0.000 1.175 516 A CA 1.817 53.821 52.037 -0.055 0.000 0.627 516 A CB -0.392 18.595 19.000 -0.021 0.000 0.815 516 A HN 0.449 nan 8.150 nan 0.000 0.443 517 K N -0.336 120.051 120.400 -0.020 0.000 2.103 517 K HA 0.142 4.463 4.320 0.001 0.000 0.204 517 K C 2.023 178.606 176.600 -0.028 0.000 1.052 517 K CA 1.218 57.493 56.287 -0.020 0.000 0.945 517 K CB -0.479 32.017 32.500 -0.006 0.000 0.722 517 K HN 0.201 nan 8.250 nan 0.000 0.443 518 A N 2.576 125.380 122.820 -0.026 0.000 1.908 518 A HA -0.231 4.090 4.320 0.001 0.000 0.218 518 A C 2.226 179.778 177.584 -0.053 0.000 1.181 518 A CA 2.007 54.026 52.037 -0.030 0.000 0.627 518 A CB -0.650 18.338 19.000 -0.020 0.000 0.818 518 A HN 0.530 nan 8.150 nan 0.000 0.445 519 K N -0.198 120.150 120.400 -0.086 0.000 2.009 519 K HA -0.126 4.194 4.320 0.001 0.000 0.210 519 K C 2.042 178.581 176.600 -0.102 0.000 1.049 519 K CA 1.553 57.760 56.287 -0.133 0.000 0.929 519 K CB -0.418 31.934 32.500 -0.247 0.000 0.714 519 K HN 0.330 nan 8.250 nan 0.000 0.440 520 A N 0.553 123.323 122.820 -0.082 0.000 2.067 520 A HA 0.027 4.348 4.320 0.001 0.000 0.219 520 A C 1.931 179.492 177.584 -0.037 0.000 1.158 520 A CA 1.466 53.470 52.037 -0.055 0.000 0.661 520 A CB -0.416 18.560 19.000 -0.040 0.000 0.801 520 A HN 0.488 nan 8.150 nan 0.000 0.452 521 A N -1.497 121.302 122.820 -0.036 0.000 2.415 521 A HA 0.469 4.790 4.320 0.001 0.000 0.248 521 A C 1.342 178.911 177.584 -0.025 0.000 1.299 521 A CA 0.791 52.813 52.037 -0.025 0.000 0.899 521 A CB -0.955 18.032 19.000 -0.021 0.000 0.997 521 A HN 1.780 nan 8.150 nan 0.000 0.506 522 G N -0.343 108.439 108.800 -0.031 0.000 2.141 522 G HA2 -0.148 3.813 3.960 0.001 0.000 0.195 522 G HA3 -0.148 3.813 3.960 0.001 0.000 0.195 522 G C -0.472 174.411 174.900 -0.028 0.000 1.012 522 G CA 0.073 45.157 45.100 -0.026 0.000 0.696 522 G HN 0.498 nan 8.290 nan 0.000 0.508 523 D N 0.132 120.509 120.400 -0.040 0.000 2.441 523 D HA 0.501 5.142 4.640 0.001 0.000 0.231 523 D C 0.953 177.223 176.300 -0.051 0.000 1.073 523 D CA -0.648 53.330 54.000 -0.037 0.000 0.850 523 D CB 0.930 41.709 40.800 -0.034 0.000 1.062 523 D HN 0.003 nan 8.370 nan 0.000 0.524 524 D N 2.159 122.540 120.400 -0.033 0.000 2.219 524 D HA -0.105 4.536 4.640 0.001 0.000 0.205 524 D C 1.176 177.461 176.300 -0.025 0.000 0.970 524 D CA 1.026 55.010 54.000 -0.027 0.000 0.851 524 D CB 0.377 41.171 40.800 -0.010 0.000 0.943 524 D HN 0.594 nan 8.370 nan 0.000 0.488 525 E N 0.039 120.227 120.200 -0.019 0.000 2.400 525 E HA 0.215 4.565 4.350 0.001 0.000 0.195 525 E C 0.609 177.203 176.600 -0.009 0.000 1.012 525 E CA -0.153 56.248 56.400 0.001 0.000 0.875 525 E CB 0.370 30.078 29.700 0.013 0.000 0.859 525 E HN 0.127 nan 8.360 nan 0.000 0.498 526 A N 1.479 124.271 122.820 -0.047 0.000 2.520 526 A HA 0.061 4.381 4.320 0.001 0.000 0.235 526 A C 0.394 177.923 177.584 -0.092 0.000 1.065 526 A CA 0.162 52.164 52.037 -0.058 0.000 0.764 526 A CB -0.016 18.934 19.000 -0.083 0.000 1.002 526 A HN 0.122 nan 8.150 nan 0.000 0.502 527 M N 1.373 120.964 119.600 -0.016 0.000 2.248 527 M HA 0.214 4.695 4.480 0.001 0.000 0.337 527 M C -0.723 175.526 176.300 -0.085 0.000 1.121 527 M CA 0.662 55.977 55.300 0.024 0.000 1.155 527 M CB 0.075 32.758 32.600 0.139 0.000 1.514 527 M HN 0.573 nan 8.290 nan 0.000 0.452 528 F N 1.865 121.717 119.950 -0.163 0.000 2.399 528 F HA 0.303 4.830 4.527 0.001 0.000 0.342 528 F C 0.475 176.062 175.800 -0.355 0.000 1.106 528 F CA -0.500 57.375 58.000 -0.209 0.000 1.196 528 F CB 0.370 39.222 39.000 -0.248 0.000 1.163 528 F HN 0.364 nan 8.300 nan 0.000 0.547 529 I N 2.777 123.277 120.570 -0.116 0.000 2.587 529 I HA -0.057 4.113 4.170 0.001 0.000 0.284 529 I C 0.124 176.029 176.117 -0.353 0.000 1.134 529 I CA 0.476 61.597 61.300 -0.297 0.000 1.410 529 I CB 0.062 38.042 38.000 -0.032 0.000 1.392 529 I HN 0.467 nan 8.210 nan 0.000 0.545 530 D N 7.406 127.387 120.400 -0.698 0.000 2.499 530 D HA 0.065 4.706 4.640 0.001 0.000 0.225 530 D C 1.086 177.363 176.300 -0.039 0.000 1.124 530 D CA -0.225 53.584 54.000 -0.319 0.000 0.938 530 D CB 0.694 41.289 40.800 -0.343 0.000 1.014 530 D HN 0.419 nan 8.370 nan 0.000 0.517 531 E N 1.787 121.992 120.200 0.007 0.000 2.130 531 E HA -0.186 4.164 4.350 0.001 0.000 0.196 531 E C 1.203 177.856 176.600 0.087 0.000 0.998 531 E CA 0.834 57.277 56.400 0.073 0.000 0.806 531 E CB 0.168 29.898 29.700 0.051 0.000 0.738 531 E HN 0.479 nan 8.360 nan 0.000 0.459 532 N N 0.349 119.091 118.700 0.071 0.000 2.223 532 N HA -0.137 4.603 4.740 0.001 0.000 0.185 532 N C 1.649 177.234 175.510 0.125 0.000 1.016 532 N CA 0.613 53.711 53.050 0.080 0.000 0.863 532 N CB -0.487 38.033 38.487 0.055 0.000 0.983 532 N HN 0.203 nan 8.380 nan 0.000 0.429 533 F N 1.061 121.020 119.950 0.014 0.000 2.206 533 F HA -0.112 4.415 4.527 0.001 0.000 0.298 533 F C 2.184 178.060 175.800 0.127 0.000 1.090 533 F CA 0.813 58.846 58.000 0.055 0.000 1.323 533 F CB -0.114 38.926 39.000 0.067 0.000 1.028 533 F HN -0.027 nan 8.300 nan 0.000 0.492 534 C N 0.277 119.625 119.300 0.081 0.000 2.425 534 C HA -0.156 4.305 4.460 0.001 0.000 0.277 534 C C 2.669 177.621 174.990 -0.063 0.000 1.280 534 C CA 1.708 60.715 59.018 -0.019 0.000 1.744 534 C CB -1.437 26.391 27.740 0.146 0.000 1.989 534 C HN 0.550 nan 8.230 nan 0.000 0.491 535 T N 1.281 115.841 114.554 0.010 0.000 2.746 535 T HA -0.137 4.213 4.350 0.001 0.000 0.267 535 T C 2.141 176.913 174.700 0.119 0.000 1.039 535 T CA 1.698 63.837 62.100 0.065 0.000 1.142 535 T CB -0.397 68.538 68.868 0.111 0.000 0.866 535 T HN 0.657 nan 8.240 nan 0.000 0.444 536 A N 1.433 124.263 122.820 0.016 0.000 1.902 536 A HA 0.012 4.333 4.320 0.001 0.000 0.217 536 A C 2.290 179.856 177.584 -0.029 0.000 1.181 536 A CA 1.150 53.197 52.037 0.016 0.000 0.623 536 A CB -0.893 18.064 19.000 -0.072 0.000 0.818 536 A HN 0.485 nan 8.150 nan 0.000 0.443 537 L N -0.629 120.441 121.223 -0.256 0.000 2.187 537 L HA -0.211 4.130 4.340 0.001 0.000 0.213 537 L C 2.245 179.070 176.870 -0.075 0.000 1.100 537 L CA 1.476 56.190 54.840 -0.209 0.000 0.765 537 L CB -0.616 41.252 42.059 -0.319 0.000 0.904 537 L HN 0.501 nan 8.230 nan 0.000 0.437 538 E N -1.125 119.041 120.200 -0.056 0.000 2.478 538 E HA -0.159 4.192 4.350 0.001 0.000 0.198 538 E C 1.416 177.908 176.600 -0.179 0.000 1.046 538 E CA 0.621 56.955 56.400 -0.110 0.000 0.870 538 E CB 0.122 29.730 29.700 -0.153 0.000 0.818 538 E HN 0.522 nan 8.360 nan 0.000 0.527 539 Y N -0.141 120.131 120.300 -0.048 0.000 2.500 539 Y HA 0.214 4.765 4.550 0.001 0.000 0.270 539 Y C 0.914 176.803 175.900 -0.019 0.000 1.134 539 Y CA 0.433 58.517 58.100 -0.027 0.000 1.293 539 Y CB 1.404 39.850 38.460 -0.023 0.000 1.063 539 Y HN -0.033 nan 8.280 nan 0.000 0.534 540 G N 1.335 110.188 108.800 0.088 0.000 3.017 540 G HA2 -0.113 3.848 3.960 0.001 0.000 0.680 540 G HA3 -0.113 3.848 3.960 0.001 0.000 0.680 540 G C -1.425 173.500 174.900 0.043 0.000 1.179 540 G CA -0.901 44.230 45.100 0.053 0.000 1.142 540 G HN 0.106 nan 8.290 nan 0.000 0.489 541 L N 5.483 126.715 121.223 0.015 0.000 2.261 541 L HA 0.670 5.010 4.340 0.001 0.000 0.289 541 L C -1.389 175.473 176.870 -0.014 0.000 1.059 541 L CA -2.063 52.780 54.840 0.004 0.000 0.816 541 L CB 0.583 42.647 42.059 0.008 0.000 1.191 541 L HN 0.349 nan 8.230 nan 0.000 0.431 542 P HA 0.122 nan 4.420 nan 0.000 0.269 542 P C -2.702 174.507 177.300 -0.151 0.000 1.217 542 P CA -1.115 61.909 63.100 -0.127 0.000 0.783 542 P CB -0.622 30.861 31.700 -0.361 0.000 0.898 543 P HA 0.043 nan 4.420 nan 0.000 0.264 543 P C -0.507 176.716 177.300 -0.129 0.000 1.193 543 P CA 0.799 63.855 63.100 -0.074 0.000 0.763 543 P CB 0.184 31.886 31.700 0.004 0.000 0.810 544 T N 1.363 115.894 114.554 -0.039 0.000 2.900 544 T HA 0.655 5.005 4.350 0.001 0.000 0.303 544 T C -1.021 173.727 174.700 0.080 0.000 1.142 544 T CA -0.401 61.710 62.100 0.018 0.000 1.007 544 T CB 1.959 70.874 68.868 0.078 0.000 1.156 544 T HN 0.423 nan 8.240 nan 0.000 0.490 545 A N 0.994 123.882 122.820 0.112 0.000 2.371 545 A HA 0.939 5.259 4.320 0.001 0.000 0.311 545 A C -0.010 177.573 177.584 -0.002 0.000 1.068 545 A CA -0.568 51.517 52.037 0.080 0.000 0.744 545 A CB 1.525 20.593 19.000 0.113 0.000 1.239 545 A HN 1.082 nan 8.150 nan 0.000 0.435 546 G N -0.530 108.116 108.800 -0.256 0.000 2.630 546 G HA2 0.660 4.621 3.960 0.001 0.000 0.296 546 G HA3 0.660 4.621 3.960 0.001 0.000 0.296 546 G C -1.631 172.784 174.900 -0.809 0.000 1.285 546 G CA -0.705 43.898 45.100 -0.829 0.000 0.958 546 G HN 1.217 nan 8.290 nan 0.000 0.479 547 W N -0.553 119.983 121.300 -1.274 0.000 3.363 547 W HA 0.593 5.253 4.660 0.001 0.000 0.306 547 W C -0.600 175.469 176.519 -0.750 0.000 1.253 547 W CA -0.648 56.079 57.345 -1.030 0.000 1.195 547 W CB 1.946 30.567 29.460 -1.399 0.000 1.366 547 W HN 0.941 nan 8.180 nan 0.000 0.551 548 G N 4.424 112.687 108.800 -0.896 0.000 2.732 548 G HA2 0.579 4.540 3.960 0.001 0.000 0.295 548 G HA3 0.579 4.540 3.960 0.001 0.000 0.295 548 G C -2.086 172.251 174.900 -0.938 0.000 1.456 548 G CA -0.940 43.739 45.100 -0.700 0.000 1.050 548 G HN 0.588 nan 8.290 nan 0.000 0.525 549 M N 3.116 122.233 119.600 -0.805 0.000 2.259 549 M HA 0.609 5.090 4.480 0.001 0.000 0.304 549 M C 0.246 176.408 176.300 -0.229 0.000 1.019 549 M CA -0.666 54.258 55.300 -0.625 0.000 0.922 549 M CB 1.767 33.923 32.600 -0.741 0.000 1.600 549 M HN 0.585 nan 8.290 nan 0.000 0.433 550 G N 4.926 113.631 108.800 -0.159 0.000 2.396 550 G HA2 0.281 4.242 3.960 0.001 0.000 0.292 550 G HA3 0.281 4.242 3.960 0.001 0.000 0.292 550 G C 0.775 175.654 174.900 -0.035 0.000 1.106 550 G CA -0.509 44.563 45.100 -0.047 0.000 1.055 550 G HN 0.759 nan 8.290 nan 0.000 0.424 551 I N 2.938 123.515 120.570 0.012 0.000 2.163 551 I HA -0.169 4.002 4.170 0.001 0.000 0.243 551 I C 2.183 178.275 176.117 -0.041 0.000 1.085 551 I CA 1.208 62.509 61.300 0.001 0.000 1.347 551 I CB -0.907 37.117 38.000 0.040 0.000 1.044 551 I HN 0.513 nan 8.210 nan 0.000 0.408 552 D N 0.260 120.652 120.400 -0.013 0.000 2.149 552 D HA -0.174 4.467 4.640 0.001 0.000 0.198 552 D C 2.268 178.508 176.300 -0.099 0.000 0.990 552 D CA 0.881 54.856 54.000 -0.041 0.000 0.839 552 D CB -0.163 40.635 40.800 -0.003 0.000 0.948 552 D HN 0.198 nan 8.370 nan 0.000 0.460 553 R N 0.627 121.064 120.500 -0.105 0.000 2.081 553 R HA -0.043 4.297 4.340 0.001 0.000 0.235 553 R C 2.403 178.626 176.300 -0.128 0.000 1.131 553 R CA 0.507 56.550 56.100 -0.095 0.000 0.960 553 R CB -0.989 29.257 30.300 -0.090 0.000 0.856 553 R HN 0.234 nan 8.270 nan 0.000 0.436 554 V N 1.403 121.179 119.914 -0.229 0.000 2.295 554 V HA -0.226 3.895 4.120 0.001 0.000 0.246 554 V C 2.580 178.160 176.094 -0.857 0.000 1.049 554 V CA 1.913 63.792 62.300 -0.702 0.000 1.024 554 V CB -0.898 30.693 31.823 -0.387 0.000 0.648 554 V HN 0.330 nan 8.190 nan 0.000 0.447 555 A N -0.699 121.868 122.820 -0.422 0.000 1.933 555 A HA -0.250 4.071 4.320 0.001 0.000 0.218 555 A C 2.242 179.656 177.584 -0.283 0.000 1.175 555 A CA 2.199 54.040 52.037 -0.326 0.000 0.628 555 A CB -0.490 18.390 19.000 -0.199 0.000 0.814 555 A HN 0.502 nan 8.150 nan 0.000 0.444 556 M N -0.977 118.494 119.600 -0.214 0.000 2.082 556 M HA -0.181 4.300 4.480 0.001 0.000 0.258 556 M C 2.171 178.449 176.300 -0.037 0.000 1.071 556 M CA 2.416 57.657 55.300 -0.097 0.000 1.103 556 M CB -0.697 31.881 32.600 -0.036 0.000 1.307 556 M HN 0.723 nan 8.290 nan 0.000 0.409 557 F N -0.318 119.613 119.950 -0.033 0.000 2.407 557 F HA 0.049 4.576 4.527 0.001 0.000 0.299 557 F C 1.628 177.417 175.800 -0.019 0.000 1.097 557 F CA 0.873 58.864 58.000 -0.014 0.000 1.422 557 F CB -0.988 37.998 39.000 -0.022 0.000 1.067 557 F HN 0.009 nan 8.300 nan 0.000 0.539 558 L N 0.718 121.762 121.223 -0.297 0.000 2.492 558 L HA 0.011 4.352 4.340 0.001 0.000 0.223 558 L C 1.744 178.565 176.870 -0.082 0.000 1.132 558 L CA 1.270 56.001 54.840 -0.180 0.000 0.850 558 L CB -0.456 41.385 42.059 -0.363 0.000 0.966 558 L HN 0.465 nan 8.230 nan 0.000 0.454 559 T N -6.183 108.330 114.554 -0.068 0.000 3.085 559 T HA 0.081 4.432 4.350 0.001 0.000 0.264 559 T C 0.580 175.307 174.700 0.046 0.000 1.019 559 T CA -0.091 61.992 62.100 -0.028 0.000 0.910 559 T CB 0.141 68.958 68.868 -0.085 0.000 1.059 559 T HN 0.127 nan 8.240 nan 0.000 0.542 560 D N 1.150 121.616 120.400 0.110 0.000 2.708 560 D HA -0.155 4.485 4.640 0.001 0.000 0.236 560 D C -0.839 175.547 176.300 0.143 0.000 1.146 560 D CA 0.422 54.534 54.000 0.186 0.000 0.662 560 D CB -1.561 39.367 40.800 0.213 0.000 1.059 560 D HN 0.533 nan 8.370 nan 0.000 0.428 561 S N 0.311 116.073 115.700 0.102 0.000 2.462 561 S HA 0.384 4.854 4.470 0.001 0.000 0.294 561 S C 1.137 175.796 174.600 0.098 0.000 1.144 561 S CA -0.885 57.361 58.200 0.077 0.000 1.088 561 S CB 1.531 64.746 63.200 0.026 0.000 1.009 561 S HN 0.220 nan 8.310 nan 0.000 0.484 562 N N 1.959 120.716 118.700 0.096 0.000 2.373 562 N HA 0.066 4.807 4.740 0.001 0.000 0.181 562 N C -0.314 175.234 175.510 0.063 0.000 1.082 562 N CA 0.283 53.392 53.050 0.098 0.000 0.885 562 N CB 0.076 38.620 38.487 0.094 0.000 0.977 562 N HN 0.434 nan 8.380 nan 0.000 0.462 563 N N 0.822 119.551 118.700 0.048 0.000 2.372 563 N HA 0.196 4.937 4.740 0.001 0.000 0.285 563 N C 0.695 176.188 175.510 -0.029 0.000 1.008 563 N CA -0.329 52.732 53.050 0.020 0.000 0.880 563 N CB 1.673 40.189 38.487 0.048 0.000 1.239 563 N HN -0.073 nan 8.380 nan 0.000 0.484 564 I N 3.336 123.874 120.570 -0.053 0.000 2.454 564 I HA -0.198 3.973 4.170 0.001 0.000 0.254 564 I C 1.622 177.669 176.117 -0.117 0.000 1.156 564 I CA 1.211 62.466 61.300 -0.075 0.000 1.433 564 I CB 0.238 38.196 38.000 -0.070 0.000 1.082 564 I HN 0.517 nan 8.210 nan 0.000 0.432 565 K N 0.355 120.622 120.400 -0.222 0.000 2.280 565 K HA -0.168 4.153 4.320 0.001 0.000 0.202 565 K C 1.706 178.068 176.600 -0.397 0.000 1.047 565 K CA 0.852 56.852 56.287 -0.478 0.000 0.942 565 K CB -0.089 31.791 32.500 -1.032 0.000 0.739 565 K HN 0.370 nan 8.250 nan 0.000 0.457 566 E N 0.377 120.482 120.200 -0.158 0.000 2.204 566 E HA -0.115 4.236 4.350 0.001 0.000 0.194 566 E C 1.716 178.240 176.600 -0.127 0.000 0.989 566 E CA 1.235 57.633 56.400 -0.002 0.000 0.824 566 E CB 0.180 29.904 29.700 0.040 0.000 0.756 566 E HN 0.292 nan 8.360 nan 0.000 0.477 567 V N -2.360 117.484 119.914 -0.117 0.000 3.380 567 V HA 0.323 4.443 4.120 0.001 0.000 0.307 567 V C 0.480 176.670 176.094 0.159 0.000 1.434 567 V CA -0.247 61.938 62.300 -0.191 0.000 1.075 567 V CB -0.222 31.492 31.823 -0.182 0.000 0.954 567 V HN -0.114 nan 8.190 nan 0.000 0.444 568 L N 0.382 121.742 121.223 0.229 0.000 2.329 568 L HA 0.512 4.853 4.340 0.001 0.000 0.279 568 L C 1.054 178.030 176.870 0.178 0.000 1.014 568 L CA -0.587 54.391 54.840 0.230 0.000 0.814 568 L CB 2.305 44.419 42.059 0.091 0.000 1.257 568 L HN 0.065 nan 8.230 nan 0.000 0.424 569 L N 2.094 123.265 121.223 -0.086 0.000 2.027 569 L HA -0.054 4.286 4.340 0.001 0.000 0.206 569 L C 0.083 176.481 176.870 -0.786 0.000 1.074 569 L CA 1.746 56.178 54.840 -0.680 0.000 0.745 569 L CB -0.005 41.618 42.059 -0.728 0.000 0.898 569 L HN 0.441 nan 8.230 nan 0.000 0.433 570 F N 0.200 120.136 119.950 -0.022 0.000 2.550 570 F HA 0.332 4.860 4.527 0.001 0.000 0.348 570 F C -1.957 173.859 175.800 0.026 0.000 1.219 570 F CA -2.312 55.695 58.000 0.011 0.000 1.203 570 F CB -0.038 38.967 39.000 0.009 0.000 1.436 570 F HN -0.111 nan 8.300 nan 0.000 0.541 571 P HA 0.228 nan 4.420 nan 0.000 0.272 571 P C -0.232 177.127 177.300 0.097 0.000 1.223 571 P CA -0.246 62.891 63.100 0.061 0.000 0.784 571 P CB 1.125 32.779 31.700 -0.077 0.000 0.923 572 A N 2.546 125.424 122.820 0.096 0.000 2.462 572 A HA 0.440 4.761 4.320 0.001 0.000 0.243 572 A C 0.104 177.742 177.584 0.090 0.000 1.076 572 A CA 0.194 52.293 52.037 0.104 0.000 0.773 572 A CB -0.387 18.687 19.000 0.124 0.000 1.010 572 A HN 0.604 nan 8.150 nan 0.000 0.493 573 M N 1.240 120.896 119.600 0.093 0.000 2.433 573 M HA 0.350 4.831 4.480 0.001 0.000 0.290 573 M C -0.645 175.704 176.300 0.081 0.000 1.173 573 M CA -0.195 55.160 55.300 0.091 0.000 0.905 573 M CB 2.171 34.832 32.600 0.102 0.000 1.692 573 M HN 0.664 nan 8.290 nan 0.000 0.462 574 K N 3.394 123.840 120.400 0.075 0.000 2.401 574 K HA 0.365 4.686 4.320 0.001 0.000 0.278 574 K C -2.229 174.405 176.600 0.058 0.000 1.018 574 K CA -1.052 55.273 56.287 0.064 0.000 0.981 574 K CB -0.214 32.321 32.500 0.058 0.000 0.933 574 K HN 0.394 nan 8.250 nan 0.000 0.477 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.126 63.100 0.044 0.000 0.800 575 P CB 0.000 31.724 31.700 0.041 0.000 0.726