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 3fhj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTIFSGIQX XXXXTIGNYI GALRQFVELQ HEYNCYFCIV DQHAITVWQD DATA SEQUENCE PHELRQNIRR LAALYLAVGI DPTQATLFIQ SEVPAHAQAA WMLQCIVYIG DATA SEQUENCE ELERMTQXXX XXXXXXXVSA GLLTYPPLMA ADILLYNTDI VPVGEDQKQH DATA SEQUENCE IELTRDLAER FNKRYXXXFT IPEARIPKVG ARIMSLVDPT KKMSKSDPNP DATA SEQUENCE KAYITLLDDA KTIEKKIKSX XXXSEGTIRY XXXXXPGISN LLNIYSTLSG DATA SEQUENCE QSIEELERQY EGKGYGVFKA DLAQVVIETL RPIQERYHHW MESEELDRVL DATA SEQUENCE DEGAEKANRV ASEMVRKMEQ AMGLGR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.334 176.300 0.057 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.568 32.600 -0.054 0.000 1.302 2 K N 0.878 121.334 120.400 0.093 0.000 2.295 2 K HA 0.489 4.809 4.320 0.001 0.000 0.270 2 K C -0.826 175.933 176.600 0.265 0.000 1.011 2 K CA 0.110 56.529 56.287 0.220 0.000 0.953 2 K CB 0.976 33.701 32.500 0.375 0.000 0.956 2 K HN 0.538 nan 8.250 nan 0.000 0.477 3 T N 3.607 118.286 114.554 0.208 0.000 2.795 3 T HA 0.427 4.778 4.350 0.001 0.000 0.282 3 T C -0.032 174.769 174.700 0.168 0.000 0.980 3 T CA -0.517 61.709 62.100 0.210 0.000 1.012 3 T CB 0.385 69.387 68.868 0.223 0.000 0.936 3 T HN 0.318 nan 8.240 nan 0.000 0.457 4 I N 3.141 123.786 120.570 0.125 0.000 2.474 4 I HA 0.528 4.699 4.170 0.001 0.000 0.294 4 I C -1.013 175.123 176.117 0.031 0.000 1.005 4 I CA -0.933 60.372 61.300 0.008 0.000 1.113 4 I CB 1.752 39.651 38.000 -0.167 0.000 1.289 4 I HN 0.526 nan 8.210 nan 0.000 0.436 5 F N 4.875 124.763 119.950 -0.105 0.000 2.518 5 F HA 0.532 5.060 4.527 0.000 0.000 0.323 5 F C -0.334 175.383 175.800 -0.137 0.000 1.129 5 F CA -0.306 57.630 58.000 -0.108 0.000 0.920 5 F CB 1.808 40.788 39.000 -0.033 0.000 1.160 5 F HN 0.331 nan 8.300 nan 0.000 0.440 6 S N 4.018 119.313 115.700 -0.674 0.000 2.707 6 S HA 0.673 5.143 4.470 0.001 0.000 0.303 6 S C -0.415 173.924 174.600 -0.434 0.000 1.132 6 S CA -0.406 57.580 58.200 -0.357 0.000 1.046 6 S CB 0.762 63.793 63.200 -0.281 0.000 1.004 6 S HN 1.052 nan 8.310 nan 0.000 0.483 7 G N 4.896 113.627 108.800 -0.116 0.000 2.320 7 G HA2 0.552 4.512 3.960 0.001 0.000 0.300 7 G HA3 0.552 4.512 3.960 0.001 0.000 0.300 7 G C -0.307 174.542 174.900 -0.085 0.000 1.126 7 G CA -0.514 44.543 45.100 -0.071 0.000 0.896 7 G HN 0.702 nan 8.290 nan 0.000 0.436 8 I N 1.478 121.952 120.570 -0.160 0.000 2.404 8 I HA 0.354 4.524 4.170 0.001 0.000 0.293 8 I C 0.095 176.132 176.117 -0.133 0.000 0.992 8 I CA -0.823 60.393 61.300 -0.140 0.000 1.149 8 I CB 1.420 39.271 38.000 -0.248 0.000 1.315 8 I HN 0.378 nan 8.210 nan 0.000 0.446 16 I N -0.594 120.007 120.570 0.053 0.000 2.614 16 I HA 0.288 4.458 4.170 0.001 0.000 0.258 16 I C 1.996 178.178 176.117 0.107 0.000 1.189 16 I CA 1.553 62.905 61.300 0.086 0.000 1.462 16 I CB -0.805 37.230 38.000 0.058 0.000 1.092 16 I HN 0.740 nan 8.210 nan 0.000 0.442 17 G N 1.300 110.141 108.800 0.068 0.000 2.464 17 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 17 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 17 G C 1.407 176.324 174.900 0.028 0.000 1.138 17 G CA 0.784 45.911 45.100 0.045 0.000 0.793 17 G HN 0.582 nan 8.290 nan 0.000 0.539 18 N N -1.273 117.451 118.700 0.040 0.000 2.251 18 N HA -0.109 4.631 4.740 0.001 0.000 0.181 18 N C 1.914 177.440 175.510 0.026 0.000 1.019 18 N CA 0.359 53.426 53.050 0.028 0.000 0.862 18 N CB -0.229 38.282 38.487 0.040 0.000 0.992 18 N HN 0.221 nan 8.380 nan 0.000 0.429 19 Y N 1.638 121.892 120.300 -0.077 0.000 2.069 19 Y HA -0.216 4.334 4.550 0.001 0.000 0.278 19 Y C 1.859 177.692 175.900 -0.112 0.000 1.175 19 Y CA 1.764 59.800 58.100 -0.107 0.000 1.134 19 Y CB -0.488 37.917 38.460 -0.091 0.000 0.965 19 Y HN 0.140 nan 8.280 nan 0.000 0.498 20 I N -0.403 120.089 120.570 -0.131 0.000 2.394 20 I HA -0.202 3.969 4.170 0.001 0.000 0.251 20 I C 2.544 178.535 176.117 -0.211 0.000 1.136 20 I CA 1.363 62.532 61.300 -0.219 0.000 1.425 20 I CB -0.732 37.232 38.000 -0.060 0.000 1.079 20 I HN 0.376 nan 8.210 nan 0.000 0.425 21 G N -0.283 108.426 108.800 -0.150 0.000 2.426 21 G HA2 0.083 4.044 3.960 0.001 0.000 0.214 21 G HA3 0.083 4.044 3.960 0.001 0.000 0.214 21 G C 1.444 176.218 174.900 -0.209 0.000 1.156 21 G CA 0.848 45.869 45.100 -0.131 0.000 0.802 21 G HN 0.475 nan 8.290 nan 0.000 0.534 22 A N -1.229 121.419 122.820 -0.287 0.000 2.150 22 A HA 0.484 4.804 4.320 0.001 0.000 0.191 22 A C 1.730 178.758 177.584 -0.927 0.000 1.591 22 A CA 0.430 52.145 52.037 -0.535 0.000 1.142 22 A CB -0.074 18.726 19.000 -0.332 0.000 1.326 22 A HN 0.253 nan 8.150 nan 0.000 0.470 23 L N 0.307 121.231 121.223 -0.499 0.000 2.202 23 L HA 0.287 4.628 4.340 0.001 0.000 0.205 23 L C 2.147 178.802 176.870 -0.357 0.000 1.083 23 L CA 2.065 56.725 54.840 -0.300 0.000 0.790 23 L CB -0.546 41.451 42.059 -0.104 0.000 0.942 23 L HN 0.420 nan 8.230 nan 0.000 0.452 24 R N -0.640 119.513 120.500 -0.577 0.000 2.148 24 R HA -0.130 4.210 4.340 0.001 0.000 0.227 24 R C 1.984 178.095 176.300 -0.314 0.000 1.103 24 R CA 1.450 57.159 56.100 -0.651 0.000 0.983 24 R CB -0.034 29.638 30.300 -1.047 0.000 0.874 24 R HN 0.589 nan 8.270 nan 0.000 0.451 25 Q N -0.631 118.975 119.800 -0.323 0.000 2.331 25 Q HA -0.104 4.236 4.340 0.001 0.000 0.203 25 Q C 1.740 177.740 176.000 0.000 0.000 0.944 25 Q CA 0.927 56.628 55.803 -0.171 0.000 0.892 25 Q CB -0.379 28.233 28.738 -0.210 0.000 0.983 25 Q HN 0.438 nan 8.270 nan 0.000 0.482 26 F N 1.212 121.151 119.950 -0.018 0.000 2.373 26 F HA -0.133 4.394 4.527 0.001 0.000 0.300 26 F C 1.931 177.763 175.800 0.053 0.000 1.080 26 F CA 0.213 58.251 58.000 0.062 0.000 1.417 26 F CB 0.302 39.373 39.000 0.119 0.000 1.070 26 F HN -0.095 nan 8.300 nan 0.000 0.546 27 V N -0.421 119.599 119.914 0.176 0.000 3.235 27 V HA -0.116 4.004 4.120 0.001 0.000 0.259 27 V C 1.729 177.927 176.094 0.174 0.000 1.133 27 V CA 1.164 63.536 62.300 0.121 0.000 1.128 27 V CB -0.275 31.598 31.823 0.084 0.000 0.757 27 V HN 0.269 nan 8.190 nan 0.000 0.469 28 E N 0.122 120.435 120.200 0.188 0.000 2.276 28 E HA 0.082 4.432 4.350 0.001 0.000 0.193 28 E C 2.003 178.778 176.600 0.292 0.000 0.983 28 E CA 0.493 57.046 56.400 0.256 0.000 0.861 28 E CB 0.022 29.819 29.700 0.162 0.000 0.817 28 E HN 0.473 nan 8.360 nan 0.000 0.485 29 L N 1.668 123.045 121.223 0.257 0.000 2.418 29 L HA -0.024 4.316 4.340 0.001 0.000 0.218 29 L C 2.587 179.610 176.870 0.256 0.000 1.125 29 L CA 0.478 55.512 54.840 0.323 0.000 0.835 29 L CB -0.466 41.801 42.059 0.347 0.000 0.953 29 L HN 0.094 nan 8.230 nan 0.000 0.454 30 Q N -0.565 119.285 119.800 0.083 0.000 2.364 30 Q HA -0.197 4.143 4.340 0.001 0.000 0.209 30 Q C 1.383 177.265 176.000 -0.196 0.000 0.977 30 Q CA 1.245 57.002 55.803 -0.078 0.000 0.885 30 Q CB -0.316 28.323 28.738 -0.165 0.000 0.941 30 Q HN 0.608 nan 8.270 nan 0.000 0.464 31 H N 0.588 119.727 119.070 0.116 0.000 2.520 31 H HA 0.116 4.672 4.556 0.001 0.000 0.279 31 H C 1.135 176.480 175.328 0.028 0.000 0.990 31 H CA 1.089 57.175 56.048 0.064 0.000 1.288 31 H CB 0.481 30.276 29.762 0.054 0.000 1.446 31 H HN 0.561 nan 8.280 nan 0.000 0.538 32 E N 0.310 120.583 120.200 0.122 0.000 2.099 32 E HA 0.037 4.387 4.350 0.001 0.000 0.191 32 E C -0.123 176.348 176.600 -0.216 0.000 0.962 32 E CA 0.315 56.663 56.400 -0.087 0.000 0.826 32 E CB 0.280 29.861 29.700 -0.198 0.000 0.788 32 E HN 0.256 nan 8.360 nan 0.000 0.461 33 Y N 0.848 121.173 120.300 0.042 0.000 2.488 33 Y HA 0.217 4.768 4.550 0.001 0.000 0.325 33 Y C 0.433 176.320 175.900 -0.021 0.000 1.204 33 Y CA -1.024 57.088 58.100 0.020 0.000 1.229 33 Y CB 0.700 39.176 38.460 0.026 0.000 1.274 33 Y HN -0.134 nan 8.280 nan 0.000 0.493 34 N N 1.527 120.318 118.700 0.151 0.000 2.602 34 N HA 0.232 4.972 4.740 0.001 0.000 0.238 34 N C -1.506 173.975 175.510 -0.047 0.000 1.084 34 N CA -0.258 52.806 53.050 0.023 0.000 0.952 34 N CB 0.124 38.653 38.487 0.071 0.000 1.244 34 N HN 0.505 nan 8.380 nan 0.000 0.512 35 C N 3.203 122.386 119.300 -0.194 0.000 2.401 35 C HA 0.376 4.836 4.460 0.001 0.000 0.365 35 C C -0.338 174.253 174.990 -0.665 0.000 1.250 35 C CA -0.474 58.292 59.018 -0.419 0.000 2.131 35 C CB -0.828 26.619 27.740 -0.490 0.000 2.445 35 C HN 0.566 nan 8.230 nan 0.000 0.550 36 Y N 0.947 120.811 120.300 -0.728 0.000 2.331 36 Y HA 0.515 5.065 4.550 0.001 0.000 0.334 36 Y C -0.315 174.967 175.900 -1.030 0.000 0.960 36 Y CA -0.496 57.228 58.100 -0.626 0.000 1.130 36 Y CB 0.920 39.124 38.460 -0.426 0.000 1.164 36 Y HN 0.586 nan 8.280 nan 0.000 0.458 37 F N 2.952 122.760 119.950 -0.236 0.000 2.359 37 F HA 0.375 4.903 4.527 0.000 0.000 0.369 37 F C -0.146 175.317 175.800 -0.561 0.000 1.084 37 F CA -0.804 56.954 58.000 -0.403 0.000 1.096 37 F CB 0.854 39.689 39.000 -0.275 0.000 1.335 37 F HN 0.385 nan 8.300 nan 0.000 0.457 38 C N 6.233 125.124 119.300 -0.681 0.000 2.285 38 C HA 0.580 5.041 4.460 0.001 0.000 0.335 38 C C 0.445 175.091 174.990 -0.574 0.000 1.267 38 C CA -0.825 57.635 59.018 -0.931 0.000 1.762 38 C CB -0.804 26.466 27.740 -0.783 0.000 2.365 38 C HN 0.722 nan 8.230 nan 0.000 0.527 39 I N 7.549 127.786 120.570 -0.555 0.000 2.311 39 I HA 0.081 4.251 4.170 0.001 0.000 0.297 39 I C 0.792 176.751 176.117 -0.264 0.000 1.131 39 I CA -0.028 61.059 61.300 -0.354 0.000 1.289 39 I CB 0.682 38.500 38.000 -0.303 0.000 1.446 39 I HN 0.651 nan 8.210 nan 0.000 0.524 40 V N 3.069 122.885 119.914 -0.164 0.000 2.070 40 V HA 0.024 4.144 4.120 0.001 0.000 0.239 40 V C 1.173 177.251 176.094 -0.028 0.000 1.472 40 V CA -0.291 61.988 62.300 -0.036 0.000 1.453 40 V CB -0.713 31.189 31.823 0.132 0.000 1.503 40 V HN 0.770 nan 8.190 nan 0.000 0.501 41 D N 1.932 122.283 120.400 -0.081 0.000 2.264 41 D HA -0.216 4.424 4.640 0.001 0.000 0.208 41 D C 1.657 177.921 176.300 -0.060 0.000 0.966 41 D CA 1.165 55.123 54.000 -0.070 0.000 0.864 41 D CB 0.010 40.759 40.800 -0.084 0.000 0.933 41 D HN 0.641 nan 8.370 nan 0.000 0.499 42 Q N -0.824 118.931 119.800 -0.074 0.000 2.230 42 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 42 Q C 1.602 177.524 176.000 -0.129 0.000 0.963 42 Q CA 0.827 56.566 55.803 -0.106 0.000 0.866 42 Q CB -0.110 28.549 28.738 -0.133 0.000 0.931 42 Q HN 0.554 nan 8.270 nan 0.000 0.452 43 H N -0.565 118.472 119.070 -0.055 0.000 2.448 43 H HA 0.073 4.629 4.556 0.001 0.000 0.292 43 H C 1.975 177.235 175.328 -0.112 0.000 1.035 43 H CA 0.854 56.853 56.048 -0.082 0.000 1.349 43 H CB 0.243 29.950 29.762 -0.092 0.000 1.425 43 H HN 0.273 nan 8.280 nan 0.000 0.539 44 A N 1.206 124.039 122.820 0.023 0.000 1.940 44 A HA -0.145 4.175 4.320 0.001 0.000 0.219 44 A C 2.099 179.661 177.584 -0.036 0.000 1.176 44 A CA 1.547 53.571 52.037 -0.022 0.000 0.631 44 A CB -0.912 18.068 19.000 -0.034 0.000 0.814 44 A HN 0.603 nan 8.150 nan 0.000 0.446 45 I N -1.559 118.982 120.570 -0.048 0.000 3.550 45 I HA -0.021 4.149 4.170 0.001 0.000 0.295 45 I C 1.667 177.755 176.117 -0.049 0.000 1.291 45 I CA 1.286 62.546 61.300 -0.066 0.000 1.298 45 I CB -0.809 37.139 38.000 -0.086 0.000 1.026 45 I HN 0.235 nan 8.210 nan 0.000 0.491 46 T N -0.648 113.887 114.554 -0.031 0.000 3.072 46 T HA 0.130 4.480 4.350 0.001 0.000 0.266 46 T C 0.751 175.459 174.700 0.013 0.000 1.127 46 T CA 0.493 62.589 62.100 -0.007 0.000 1.107 46 T CB -0.713 68.139 68.868 -0.026 0.000 0.910 46 T HN 0.403 nan 8.240 nan 0.000 0.513 47 V N -4.419 115.502 119.914 0.013 0.000 3.102 47 V HA 0.561 4.681 4.120 0.001 0.000 0.312 47 V C -0.377 175.775 176.094 0.096 0.000 1.135 47 V CA -2.237 60.106 62.300 0.071 0.000 1.022 47 V CB 1.473 33.334 31.823 0.064 0.000 1.056 47 V HN 0.373 nan 8.190 nan 0.000 0.436 48 W N 2.433 123.732 121.300 -0.001 0.000 2.343 48 W HA 0.243 4.903 4.660 0.000 0.000 0.337 48 W C -0.615 175.903 176.519 -0.001 0.000 1.320 48 W CA 0.848 58.194 57.345 0.001 0.000 1.290 48 W CB 0.619 30.081 29.460 0.005 0.000 1.206 48 W HN 0.754 nan 8.180 nan 0.000 0.565 49 Q N 3.651 123.351 119.800 -0.167 0.000 2.345 49 Q HA 0.080 4.420 4.340 0.001 0.000 0.275 49 Q C -1.411 174.554 176.000 -0.058 0.000 1.063 49 Q CA -0.765 55.019 55.803 -0.031 0.000 0.819 49 Q CB 2.298 30.994 28.738 -0.071 0.000 1.356 49 Q HN 0.471 nan 8.270 nan 0.000 0.418 50 D N 2.399 122.845 120.400 0.076 0.000 2.347 50 D HA 0.244 4.884 4.640 0.001 0.000 0.235 50 D C -1.679 174.650 176.300 0.049 0.000 1.149 50 D CA -1.820 52.235 54.000 0.092 0.000 0.850 50 D CB 1.377 42.268 40.800 0.151 0.000 1.061 50 D HN 0.037 nan 8.370 nan 0.000 0.487 51 P HA -0.278 nan 4.420 nan 0.000 0.219 51 P C 1.118 178.442 177.300 0.040 0.000 1.158 51 P CA 1.297 64.402 63.100 0.008 0.000 0.895 51 P CB -0.055 31.651 31.700 0.010 0.000 0.792 52 H N -0.500 118.572 119.070 0.002 0.000 2.353 52 H HA -0.115 4.441 4.556 0.001 0.000 0.300 52 H C 1.824 177.159 175.328 0.012 0.000 1.090 52 H CA 1.447 57.500 56.048 0.009 0.000 1.327 52 H CB -0.032 29.740 29.762 0.017 0.000 1.383 52 H HN 0.027 nan 8.280 nan 0.000 0.508 53 E N 0.789 121.037 120.200 0.080 0.000 2.031 53 E HA -0.135 4.215 4.350 0.001 0.000 0.193 53 E C 2.508 179.086 176.600 -0.036 0.000 0.994 53 E CA 0.524 56.943 56.400 0.031 0.000 0.800 53 E CB -0.570 29.181 29.700 0.085 0.000 0.752 53 E HN 0.333 nan 8.360 nan 0.000 0.447 54 L N 1.337 122.544 121.223 -0.026 0.000 1.990 54 L HA -0.203 4.137 4.340 0.001 0.000 0.213 54 L C 2.470 179.296 176.870 -0.073 0.000 1.072 54 L CA 1.885 56.698 54.840 -0.045 0.000 0.755 54 L CB -0.569 41.463 42.059 -0.045 0.000 0.889 54 L HN -0.047 nan 8.230 nan 0.000 0.432 55 R N -0.957 119.488 120.500 -0.093 0.000 2.091 55 R HA -0.210 4.130 4.340 0.001 0.000 0.238 55 R C 2.366 178.590 176.300 -0.128 0.000 1.136 55 R CA 1.608 57.643 56.100 -0.108 0.000 0.959 55 R CB -0.445 29.785 30.300 -0.116 0.000 0.856 55 R HN 0.444 nan 8.270 nan 0.000 0.437 56 Q N 0.077 119.769 119.800 -0.180 0.000 2.046 56 Q HA -0.041 4.300 4.340 0.001 0.000 0.200 56 Q C 1.506 177.465 176.000 -0.069 0.000 0.975 56 Q CA 1.735 57.448 55.803 -0.150 0.000 0.836 56 Q CB -0.281 28.339 28.738 -0.198 0.000 0.896 56 Q HN 0.320 nan 8.270 nan 0.000 0.428 57 N N -0.209 118.456 118.700 -0.057 0.000 2.223 57 N HA -0.099 4.641 4.740 0.001 0.000 0.185 57 N C 1.662 177.144 175.510 -0.047 0.000 1.016 57 N CA 0.947 53.977 53.050 -0.034 0.000 0.863 57 N CB -0.151 38.316 38.487 -0.032 0.000 0.983 57 N HN 0.330 nan 8.380 nan 0.000 0.429 58 I N 0.644 121.175 120.570 -0.066 0.000 2.202 58 I HA -0.212 3.959 4.170 0.001 0.000 0.242 58 I C 2.479 178.550 176.117 -0.076 0.000 1.091 58 I CA 0.924 62.175 61.300 -0.082 0.000 1.368 58 I CB -0.084 37.865 38.000 -0.085 0.000 1.058 58 I HN 0.071 nan 8.210 nan 0.000 0.410 59 R N 0.499 120.964 120.500 -0.060 0.000 2.073 59 R HA -0.114 4.226 4.340 0.001 0.000 0.234 59 R C 2.524 178.810 176.300 -0.023 0.000 1.134 59 R CA 1.340 57.410 56.100 -0.051 0.000 0.952 59 R CB -0.220 30.052 30.300 -0.047 0.000 0.850 59 R HN 0.333 nan 8.270 nan 0.000 0.433 60 R N 0.414 120.930 120.500 0.027 0.000 2.094 60 R HA -0.189 4.151 4.340 0.001 0.000 0.239 60 R C 2.328 178.711 176.300 0.138 0.000 1.137 60 R CA 1.423 57.615 56.100 0.154 0.000 0.943 60 R CB -0.719 29.669 30.300 0.148 0.000 0.850 60 R HN 0.121 nan 8.270 nan 0.000 0.433 61 L N 1.025 122.266 121.223 0.029 0.000 2.013 61 L HA -0.185 4.155 4.340 0.001 0.000 0.212 61 L C 2.343 179.193 176.870 -0.033 0.000 1.073 61 L CA 2.084 56.918 54.840 -0.009 0.000 0.753 61 L CB -0.893 41.103 42.059 -0.104 0.000 0.890 61 L HN 0.204 nan 8.230 nan 0.000 0.432 62 A N -0.737 122.025 122.820 -0.097 0.000 1.883 62 A HA -0.147 4.174 4.320 0.001 0.000 0.217 62 A C 2.457 179.950 177.584 -0.152 0.000 1.186 62 A CA 2.164 54.110 52.037 -0.153 0.000 0.624 62 A CB -1.252 17.650 19.000 -0.163 0.000 0.822 62 A HN 0.575 nan 8.150 nan 0.000 0.444 63 A N -0.498 122.265 122.820 -0.095 0.000 1.908 63 A HA -0.075 4.245 4.320 0.001 0.000 0.218 63 A C 2.215 179.842 177.584 0.072 0.000 1.181 63 A CA 1.562 53.539 52.037 -0.100 0.000 0.627 63 A CB -0.649 18.271 19.000 -0.134 0.000 0.818 63 A HN 0.477 nan 8.150 nan 0.000 0.445 64 L N -2.231 119.128 121.223 0.226 0.000 2.042 64 L HA -0.222 4.118 4.340 0.001 0.000 0.210 64 L C 2.569 179.477 176.870 0.063 0.000 1.076 64 L CA 1.511 56.451 54.840 0.167 0.000 0.749 64 L CB -0.473 41.642 42.059 0.093 0.000 0.893 64 L HN 0.477 nan 8.230 nan 0.000 0.432 65 Y N -0.395 119.819 120.300 -0.142 0.000 2.293 65 Y HA -0.212 4.339 4.550 0.001 0.000 0.291 65 Y C 2.294 178.042 175.900 -0.253 0.000 1.137 65 Y CA 1.205 59.173 58.100 -0.220 0.000 1.202 65 Y CB -0.214 38.063 38.460 -0.305 0.000 0.990 65 Y HN 0.083 nan 8.280 nan 0.000 0.537 66 L N -1.564 119.540 121.223 -0.200 0.000 2.095 66 L HA -0.135 4.205 4.340 0.001 0.000 0.204 66 L C 2.607 179.432 176.870 -0.074 0.000 1.080 66 L CA 0.972 55.599 54.840 -0.355 0.000 0.759 66 L CB -0.744 40.649 42.059 -1.111 0.000 0.914 66 L HN 0.136 nan 8.230 nan 0.000 0.439 67 A N -0.640 122.194 122.820 0.023 0.000 1.972 67 A HA -0.150 4.171 4.320 0.001 0.000 0.219 67 A C 2.288 179.926 177.584 0.090 0.000 1.169 67 A CA 1.537 53.695 52.037 0.201 0.000 0.635 67 A CB -0.706 18.440 19.000 0.243 0.000 0.810 67 A HN 0.212 nan 8.150 nan 0.000 0.446 68 V N -1.442 118.467 119.914 -0.008 0.000 2.809 68 V HA 0.163 4.283 4.120 0.001 0.000 0.256 68 V C 1.849 177.961 176.094 0.030 0.000 1.080 68 V CA 1.788 64.073 62.300 -0.026 0.000 1.102 68 V CB 0.059 31.823 31.823 -0.098 0.000 0.705 68 V HN 1.009 nan 8.190 nan 0.000 0.475 69 G N -0.897 107.913 108.800 0.016 0.000 2.370 69 G HA2 -0.121 3.839 3.960 0.001 0.000 0.174 69 G HA3 -0.121 3.839 3.960 0.001 0.000 0.174 69 G C 0.031 174.932 174.900 0.002 0.000 1.002 69 G CA -0.393 44.735 45.100 0.047 0.000 0.730 69 G HN 0.211 nan 8.290 nan 0.000 0.497 70 I N 2.489 123.001 120.570 -0.095 0.000 2.664 70 I HA 0.142 4.313 4.170 0.001 0.000 0.284 70 I C 0.019 176.094 176.117 -0.070 0.000 1.154 70 I CA -0.069 61.138 61.300 -0.156 0.000 1.402 70 I CB 0.504 38.299 38.000 -0.341 0.000 1.395 70 I HN 0.092 nan 8.210 nan 0.000 0.545 71 D N 10.555 130.938 120.400 -0.027 0.000 2.365 71 D HA 0.196 4.836 4.640 0.001 0.000 0.237 71 D C -1.369 174.934 176.300 0.006 0.000 1.190 71 D CA -2.121 51.890 54.000 0.019 0.000 0.867 71 D CB 1.371 42.196 40.800 0.041 0.000 1.050 71 D HN 0.267 nan 8.370 nan 0.000 0.491 72 P HA -0.129 nan 4.420 nan 0.000 0.225 72 P C 0.974 178.281 177.300 0.012 0.000 1.148 72 P CA 1.015 64.115 63.100 -0.001 0.000 0.779 72 P CB 0.043 31.742 31.700 -0.002 0.000 0.780 73 T N -5.137 109.434 114.554 0.029 0.000 3.051 73 T HA 0.068 4.418 4.350 0.001 0.000 0.255 73 T C 1.940 176.644 174.700 0.008 0.000 1.085 73 T CA 0.436 62.551 62.100 0.026 0.000 1.109 73 T CB -0.149 68.749 68.868 0.049 0.000 0.921 73 T HN -0.056 nan 8.240 nan 0.000 0.488 74 Q N 1.354 121.152 119.800 -0.004 0.000 2.287 74 Q HA 0.577 4.917 4.340 0.001 0.000 0.201 74 Q C 0.894 176.853 176.000 -0.068 0.000 0.946 74 Q CA 0.793 56.574 55.803 -0.037 0.000 0.868 74 Q CB 0.217 28.894 28.738 -0.102 0.000 0.967 74 Q HN 0.704 nan 8.270 nan 0.000 0.516 75 A N -0.774 122.023 122.820 -0.038 0.000 2.288 75 A HA 0.708 5.028 4.320 0.001 0.000 0.328 75 A C -0.757 176.784 177.584 -0.072 0.000 1.123 75 A CA -0.492 51.524 52.037 -0.035 0.000 0.861 75 A CB 1.218 20.367 19.000 0.249 0.000 1.272 75 A HN 0.125 nan 8.150 nan 0.000 0.490 76 T N 1.547 115.994 114.554 -0.179 0.000 2.821 76 T HA 0.455 4.805 4.350 0.001 0.000 0.307 76 T C -0.806 173.985 174.700 0.151 0.000 1.034 76 T CA 0.004 62.027 62.100 -0.128 0.000 0.953 76 T CB 0.241 68.851 68.868 -0.429 0.000 0.968 76 T HN 0.474 nan 8.240 nan 0.000 0.462 77 L N 6.478 127.805 121.223 0.174 0.000 2.280 77 L HA 0.800 5.140 4.340 0.001 0.000 0.287 77 L C -1.106 175.901 176.870 0.227 0.000 1.023 77 L CA -0.556 54.383 54.840 0.167 0.000 0.819 77 L CB -0.031 42.033 42.059 0.010 0.000 1.212 77 L HN 0.599 nan 8.230 nan 0.000 0.420 78 F N 3.497 123.410 119.950 -0.062 0.000 2.711 78 F HA 0.689 5.216 4.527 0.000 0.000 0.313 78 F C -1.366 174.391 175.800 -0.072 0.000 1.141 78 F CA -1.592 56.379 58.000 -0.048 0.000 0.941 78 F CB 0.797 39.801 39.000 0.006 0.000 1.349 78 F HN 0.162 nan 8.300 nan 0.000 0.464 79 I N 2.511 123.039 120.570 -0.070 0.000 2.315 79 I HA 0.228 4.399 4.170 0.001 0.000 0.291 79 I C 1.325 177.360 176.117 -0.137 0.000 1.006 79 I CA -0.389 60.802 61.300 -0.181 0.000 1.265 79 I CB 1.598 39.549 38.000 -0.081 0.000 1.387 79 I HN 0.886 nan 8.210 nan 0.000 0.475 80 Q N 3.872 123.484 119.800 -0.313 0.000 2.047 80 Q HA -0.306 4.035 4.340 0.001 0.000 0.211 80 Q C 2.111 178.028 176.000 -0.139 0.000 1.005 80 Q CA 3.039 58.659 55.803 -0.306 0.000 0.866 80 Q CB 0.048 28.614 28.738 -0.287 0.000 0.938 80 Q HN 0.892 nan 8.270 nan 0.000 0.414 81 S N -0.267 115.382 115.700 -0.084 0.000 2.440 81 S HA -0.166 4.304 4.470 0.001 0.000 0.238 81 S C 1.300 175.911 174.600 0.019 0.000 1.010 81 S CA 1.396 59.578 58.200 -0.031 0.000 0.972 81 S CB -0.306 62.870 63.200 -0.040 0.000 0.774 81 S HN 0.467 nan 8.310 nan 0.000 0.501 82 E N 0.602 120.831 120.200 0.048 0.000 2.511 82 E HA 0.089 4.440 4.350 0.001 0.000 0.196 82 E C -0.507 176.167 176.600 0.123 0.000 1.066 82 E CA 0.253 56.701 56.400 0.081 0.000 0.871 82 E CB 0.130 29.885 29.700 0.092 0.000 0.863 82 E HN 0.379 nan 8.360 nan 0.000 0.520 83 V N 2.363 122.377 119.914 0.167 0.000 2.289 83 V HA 0.103 4.224 4.120 0.001 0.000 0.272 83 V C -1.914 174.316 176.094 0.227 0.000 1.026 83 V CA -1.240 61.198 62.300 0.230 0.000 0.807 83 V CB 1.381 33.444 31.823 0.400 0.000 1.044 83 V HN -0.076 nan 8.190 nan 0.000 0.443 84 P HA -0.180 nan 4.420 nan 0.000 0.218 84 P C 1.672 179.035 177.300 0.105 0.000 1.146 84 P CA 1.549 64.707 63.100 0.096 0.000 0.813 84 P CB 0.334 32.065 31.700 0.052 0.000 0.778 85 A N -0.838 122.045 122.820 0.106 0.000 1.986 85 A HA -0.271 4.049 4.320 0.001 0.000 0.220 85 A C 1.868 179.450 177.584 -0.004 0.000 1.171 85 A CA 1.814 53.859 52.037 0.014 0.000 0.640 85 A CB -1.645 17.312 19.000 -0.072 0.000 0.811 85 A HN 0.243 nan 8.150 nan 0.000 0.451 86 H N -0.452 118.631 119.070 0.022 0.000 2.353 86 H HA 0.056 4.612 4.556 0.000 0.000 0.300 86 H C 2.431 177.764 175.328 0.008 0.000 1.090 86 H CA 1.737 57.799 56.048 0.023 0.000 1.327 86 H CB -0.200 29.615 29.762 0.088 0.000 1.383 86 H HN 0.523 nan 8.280 nan 0.000 0.508 87 A N 0.497 123.401 122.820 0.140 0.000 1.929 87 A HA -0.162 4.158 4.320 0.001 0.000 0.216 87 A C 2.140 179.780 177.584 0.093 0.000 1.176 87 A CA 1.284 53.373 52.037 0.087 0.000 0.628 87 A CB -0.281 18.750 19.000 0.053 0.000 0.816 87 A HN 0.448 nan 8.150 nan 0.000 0.444 88 Q N -0.433 119.409 119.800 0.070 0.000 2.016 88 Q HA -0.084 4.257 4.340 0.001 0.000 0.200 88 Q C 2.437 178.488 176.000 0.084 0.000 0.978 88 Q CA 1.476 57.326 55.803 0.078 0.000 0.833 88 Q CB -0.394 28.364 28.738 0.034 0.000 0.895 88 Q HN 0.646 nan 8.270 nan 0.000 0.427 89 A N 1.112 123.934 122.820 0.003 0.000 1.933 89 A HA -0.097 4.223 4.320 0.001 0.000 0.218 89 A C 2.297 179.860 177.584 -0.035 0.000 1.175 89 A CA 1.506 53.512 52.037 -0.052 0.000 0.628 89 A CB -0.760 18.153 19.000 -0.145 0.000 0.814 89 A HN 0.396 nan 8.150 nan 0.000 0.444 90 A N -1.149 121.676 122.820 0.009 0.000 1.933 90 A HA -0.188 4.133 4.320 0.001 0.000 0.218 90 A C 2.096 179.723 177.584 0.070 0.000 1.175 90 A CA 1.338 53.388 52.037 0.021 0.000 0.628 90 A CB -0.852 18.178 19.000 0.050 0.000 0.814 90 A HN 0.890 nan 8.150 nan 0.000 0.444 91 W N 0.087 121.364 121.300 -0.038 0.000 2.381 91 W HA -0.142 4.518 4.660 0.001 0.000 0.301 91 W C 1.952 178.460 176.519 -0.019 0.000 1.205 91 W CA 1.597 58.927 57.345 -0.025 0.000 1.285 91 W CB -0.261 29.188 29.460 -0.018 0.000 1.133 91 W HN 0.320 nan 8.180 nan 0.000 0.521 92 M N 0.622 120.149 119.600 -0.122 0.000 2.159 92 M HA -0.245 4.235 4.480 0.001 0.000 0.263 92 M C 2.179 178.353 176.300 -0.210 0.000 1.063 92 M CA 1.534 56.718 55.300 -0.195 0.000 1.110 92 M CB -0.605 31.982 32.600 -0.022 0.000 1.374 92 M HN -0.012 nan 8.290 nan 0.000 0.411 93 L N -0.804 120.314 121.223 -0.176 0.000 2.240 93 L HA -0.165 4.175 4.340 0.001 0.000 0.211 93 L C 2.357 179.095 176.870 -0.220 0.000 1.106 93 L CA 0.924 55.659 54.840 -0.176 0.000 0.793 93 L CB -0.482 41.465 42.059 -0.187 0.000 0.927 93 L HN 0.383 nan 8.230 nan 0.000 0.446 94 Q N -0.964 118.670 119.800 -0.277 0.000 2.291 94 Q HA -0.176 4.164 4.340 0.001 0.000 0.205 94 Q C 2.262 178.029 176.000 -0.388 0.000 0.970 94 Q CA 1.151 56.775 55.803 -0.298 0.000 0.876 94 Q CB 0.021 28.587 28.738 -0.287 0.000 0.935 94 Q HN 0.565 nan 8.270 nan 0.000 0.455 95 C N -0.379 118.627 119.300 -0.490 0.000 2.514 95 C HA 0.044 4.504 4.460 0.001 0.000 0.271 95 C C 2.202 177.056 174.990 -0.227 0.000 1.399 95 C CA 0.019 58.795 59.018 -0.403 0.000 1.765 95 C CB -0.684 26.780 27.740 -0.460 0.000 1.893 95 C HN 0.625 nan 8.230 nan 0.000 0.531 96 I N -2.613 117.830 120.570 -0.212 0.000 4.070 96 I HA 0.278 4.448 4.170 0.001 0.000 0.328 96 I C 0.611 176.501 176.117 -0.378 0.000 1.298 96 I CA 0.321 61.496 61.300 -0.207 0.000 1.173 96 I CB -0.035 37.916 38.000 -0.081 0.000 1.051 96 I HN -0.022 nan 8.210 nan 0.000 0.409 97 V N 1.675 121.396 119.914 -0.321 0.000 2.785 97 V HA 0.296 4.417 4.120 0.001 0.000 0.300 97 V C -0.708 175.213 176.094 -0.289 0.000 1.062 97 V CA -0.270 61.823 62.300 -0.346 0.000 1.029 97 V CB 1.033 32.736 31.823 -0.201 0.000 1.024 97 V HN 0.201 nan 8.190 nan 0.000 0.477 98 Y N 5.194 125.464 120.300 -0.050 0.000 2.334 98 Y HA 0.446 4.997 4.550 0.000 0.000 0.328 98 Y C 1.292 177.170 175.900 -0.037 0.000 1.130 98 Y CA -1.219 56.856 58.100 -0.041 0.000 1.163 98 Y CB 0.954 39.395 38.460 -0.033 0.000 1.207 98 Y HN 0.473 nan 8.280 nan 0.000 0.471 99 I N 1.037 121.693 120.570 0.143 0.000 2.248 99 I HA -0.271 3.900 4.170 0.001 0.000 0.248 99 I C 2.171 178.324 176.117 0.060 0.000 1.107 99 I CA 1.801 63.143 61.300 0.069 0.000 1.373 99 I CB -1.071 36.960 38.000 0.051 0.000 1.055 99 I HN 0.895 nan 8.210 nan 0.000 0.418 100 G N 1.090 109.933 108.800 0.072 0.000 2.440 100 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 100 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 100 G C 1.527 176.456 174.900 0.049 0.000 1.154 100 G CA 0.685 45.812 45.100 0.045 0.000 0.767 100 G HN 0.489 nan 8.290 nan 0.000 0.552 101 E N 0.104 120.352 120.200 0.080 0.000 2.085 101 E HA -0.066 4.284 4.350 0.001 0.000 0.194 101 E C 2.575 179.183 176.600 0.013 0.000 0.994 101 E CA 0.628 57.057 56.400 0.049 0.000 0.801 101 E CB -0.212 29.519 29.700 0.051 0.000 0.743 101 E HN 0.399 nan 8.360 nan 0.000 0.453 102 L N 0.778 122.005 121.223 0.007 0.000 2.056 102 L HA -0.163 4.177 4.340 0.001 0.000 0.207 102 L C 2.354 179.223 176.870 -0.003 0.000 1.078 102 L CA 1.166 55.996 54.840 -0.017 0.000 0.749 102 L CB -0.309 41.737 42.059 -0.022 0.000 0.901 102 L HN 0.118 nan 8.230 nan 0.000 0.433 103 E N -0.031 120.176 120.200 0.013 0.000 2.106 103 E HA -0.182 4.168 4.350 0.001 0.000 0.192 103 E C 2.246 178.855 176.600 0.015 0.000 0.984 103 E CA 0.733 57.144 56.400 0.018 0.000 0.806 103 E CB 0.040 29.753 29.700 0.021 0.000 0.750 103 E HN 0.359 nan 8.360 nan 0.000 0.458 104 R N 0.040 120.546 120.500 0.010 0.000 2.241 104 R HA -0.046 4.294 4.340 0.001 0.000 0.224 104 R C 0.602 176.900 176.300 -0.003 0.000 1.101 104 R CA 0.095 56.198 56.100 0.005 0.000 0.995 104 R CB -0.243 30.060 30.300 0.004 0.000 0.870 104 R HN 0.124 nan 8.270 nan 0.000 0.463 105 M N 0.539 120.136 119.600 -0.004 0.000 2.248 105 M HA -0.110 4.371 4.480 0.001 0.000 0.343 105 M C 1.304 177.600 176.300 -0.007 0.000 1.243 105 M CA 0.908 56.199 55.300 -0.016 0.000 1.025 105 M CB 0.890 33.492 32.600 0.004 0.000 1.759 105 M HN -0.057 nan 8.290 nan 0.000 0.452 106 T N 2.833 117.367 114.554 -0.033 0.000 2.622 106 T HA -0.128 4.223 4.350 0.001 0.000 0.266 106 T C 0.631 175.340 174.700 0.015 0.000 1.047 106 T CA 1.200 63.289 62.100 -0.017 0.000 1.159 106 T CB -0.130 68.714 68.868 -0.039 0.000 0.863 106 T HN 0.707 nan 8.240 nan 0.000 0.422 119 S N 3.822 119.571 115.700 0.082 0.000 2.465 119 S HA 0.606 5.077 4.470 0.001 0.000 0.279 119 S C 1.415 176.066 174.600 0.085 0.000 1.201 119 S CA 0.286 58.534 58.200 0.080 0.000 1.053 119 S CB 1.725 64.974 63.200 0.083 0.000 0.953 119 S HN 1.345 nan 8.310 nan 0.000 0.488 120 A N 4.946 127.811 122.820 0.076 0.000 2.019 120 A HA 0.087 4.407 4.320 0.001 0.000 0.219 120 A C 2.136 179.783 177.584 0.105 0.000 1.164 120 A CA 1.667 53.754 52.037 0.083 0.000 0.644 120 A CB -1.378 17.665 19.000 0.071 0.000 0.805 120 A HN 1.106 nan 8.150 nan 0.000 0.449 121 G N -0.381 108.481 108.800 0.102 0.000 2.450 121 G HA2 -0.168 3.793 3.960 0.001 0.000 0.220 121 G HA3 -0.168 3.793 3.960 0.001 0.000 0.220 121 G C 1.234 176.275 174.900 0.235 0.000 1.130 121 G CA 1.010 46.189 45.100 0.131 0.000 0.760 121 G HN 0.372 nan 8.290 nan 0.000 0.557 122 L N -0.286 121.062 121.223 0.209 0.000 2.362 122 L HA 0.169 4.509 4.340 0.001 0.000 0.219 122 L C 2.410 179.492 176.870 0.354 0.000 1.134 122 L CA 1.061 56.078 54.840 0.296 0.000 0.807 122 L CB -0.331 41.835 42.059 0.179 0.000 0.927 122 L HN 0.352 nan 8.230 nan 0.000 0.447 123 L N -1.583 119.761 121.223 0.202 0.000 2.537 123 L HA 0.065 4.405 4.340 0.001 0.000 0.224 123 L C 1.909 178.787 176.870 0.013 0.000 1.065 123 L CA 0.945 55.841 54.840 0.092 0.000 0.860 123 L CB -0.019 42.084 42.059 0.073 0.000 1.086 123 L HN 0.239 nan 8.230 nan 0.000 0.482 124 T N -3.386 111.208 114.554 0.067 0.000 3.105 124 T HA 0.011 4.361 4.350 0.001 0.000 0.253 124 T C 1.556 176.280 174.700 0.039 0.000 1.047 124 T CA 0.373 62.492 62.100 0.031 0.000 0.944 124 T CB -0.643 68.268 68.868 0.071 0.000 1.016 124 T HN 0.512 nan 8.240 nan 0.000 0.544 125 Y N 1.269 121.600 120.300 0.052 0.000 2.439 125 Y HA 0.321 4.871 4.550 0.000 0.000 0.292 125 Y C -1.251 174.701 175.900 0.087 0.000 1.130 125 Y CA -0.487 57.658 58.100 0.074 0.000 1.254 125 Y CB -1.640 36.912 38.460 0.153 0.000 1.000 125 Y HN 0.171 nan 8.280 nan 0.000 0.554 126 P HA -0.081 nan 4.420 nan 0.000 0.215 126 P C -1.241 175.980 177.300 -0.131 0.000 1.153 126 P CA 2.145 65.010 63.100 -0.392 0.000 0.853 126 P CB -1.041 30.441 31.700 -0.363 0.000 0.788 127 P HA -0.101 nan 4.420 nan 0.000 0.220 127 P C 1.535 178.809 177.300 -0.042 0.000 1.148 127 P CA 0.774 63.822 63.100 -0.086 0.000 0.803 127 P CB -0.351 31.298 31.700 -0.085 0.000 0.782 128 L N -1.137 120.103 121.223 0.028 0.000 2.131 128 L HA 0.035 4.375 4.340 0.001 0.000 0.206 128 L C 2.247 179.211 176.870 0.157 0.000 1.087 128 L CA 1.664 56.537 54.840 0.054 0.000 0.767 128 L CB -1.102 40.932 42.059 -0.042 0.000 0.917 128 L HN -0.119 nan 8.230 nan 0.000 0.441 129 M N -0.895 118.861 119.600 0.259 0.000 2.159 129 M HA -0.123 4.358 4.480 0.001 0.000 0.263 129 M C 2.063 178.366 176.300 0.006 0.000 1.063 129 M CA 1.849 57.262 55.300 0.189 0.000 1.110 129 M CB -0.139 32.480 32.600 0.031 0.000 1.374 129 M HN 0.305 nan 8.290 nan 0.000 0.411 130 A N 0.312 123.097 122.820 -0.058 0.000 1.930 130 A HA 0.012 4.332 4.320 0.001 0.000 0.217 130 A C 2.312 179.767 177.584 -0.215 0.000 1.175 130 A CA 1.705 53.653 52.037 -0.147 0.000 0.627 130 A CB -1.107 17.788 19.000 -0.174 0.000 0.815 130 A HN 0.664 nan 8.150 nan 0.000 0.443 131 A N 0.199 122.913 122.820 -0.176 0.000 1.898 131 A HA -0.156 4.165 4.320 0.001 0.000 0.216 131 A C 1.733 179.135 177.584 -0.304 0.000 1.181 131 A CA 1.802 53.700 52.037 -0.230 0.000 0.620 131 A CB -0.599 18.309 19.000 -0.154 0.000 0.819 131 A HN 0.445 nan 8.150 nan 0.000 0.442 132 D N 0.288 120.592 120.400 -0.160 0.000 2.116 132 D HA -0.179 4.461 4.640 0.001 0.000 0.193 132 D C 1.821 177.622 176.300 -0.832 0.000 0.998 132 D CA 1.616 55.498 54.000 -0.196 0.000 0.836 132 D CB -0.360 40.501 40.800 0.102 0.000 0.951 132 D HN 0.567 nan 8.370 nan 0.000 0.449 133 I N 0.294 120.476 120.570 -0.647 0.000 2.141 133 I HA -0.186 3.984 4.170 0.001 0.000 0.236 133 I C 2.494 178.394 176.117 -0.360 0.000 1.071 133 I CA 0.557 61.508 61.300 -0.582 0.000 1.345 133 I CB -0.331 37.507 38.000 -0.270 0.000 1.066 133 I HN -0.072 nan 8.210 nan 0.000 0.406 134 L N 0.515 121.568 121.223 -0.284 0.000 2.129 134 L HA -0.248 4.092 4.340 0.001 0.000 0.212 134 L C 2.584 179.384 176.870 -0.116 0.000 1.087 134 L CA 1.217 55.966 54.840 -0.151 0.000 0.757 134 L CB -0.673 41.166 42.059 -0.366 0.000 0.896 134 L HN 0.338 nan 8.230 nan 0.000 0.434 135 L N -1.185 119.815 121.223 -0.372 0.000 2.129 135 L HA -0.244 4.096 4.340 0.001 0.000 0.212 135 L C 1.525 177.931 176.870 -0.773 0.000 1.087 135 L CA 1.505 55.961 54.840 -0.639 0.000 0.757 135 L CB -0.286 41.150 42.059 -1.037 0.000 0.896 135 L HN 0.304 nan 8.230 nan 0.000 0.434 136 Y N -1.460 118.655 120.300 -0.309 0.000 2.607 136 Y HA 0.177 4.727 4.550 0.001 0.000 0.266 136 Y C 0.713 176.517 175.900 -0.160 0.000 1.178 136 Y CA -0.615 57.301 58.100 -0.306 0.000 1.226 136 Y CB -0.558 37.535 38.460 -0.611 0.000 1.144 136 Y HN 0.130 nan 8.280 nan 0.000 0.528 137 N N 0.173 118.851 118.700 -0.036 0.000 2.708 137 N HA -0.204 4.536 4.740 0.001 0.000 0.249 137 N C 0.130 175.673 175.510 0.056 0.000 1.097 137 N CA 1.073 54.130 53.050 0.012 0.000 0.710 137 N CB -0.826 37.661 38.487 0.001 0.000 1.032 137 N HN 0.456 nan 8.380 nan 0.000 0.551 138 T N -2.907 111.681 114.554 0.056 0.000 2.932 138 T HA 0.024 4.374 4.350 0.001 0.000 0.312 138 T C 0.792 175.539 174.700 0.078 0.000 1.071 138 T CA 0.199 62.355 62.100 0.094 0.000 1.128 138 T CB 0.819 69.758 68.868 0.119 0.000 0.984 138 T HN 0.107 nan 8.240 nan 0.000 0.549 139 D N 1.855 122.312 120.400 0.095 0.000 2.379 139 D HA 0.252 4.892 4.640 0.001 0.000 0.218 139 D C 0.487 176.829 176.300 0.070 0.000 1.006 139 D CA 0.289 54.339 54.000 0.084 0.000 0.893 139 D CB 0.757 41.621 40.800 0.106 0.000 1.019 139 D HN 0.492 nan 8.370 nan 0.000 0.503 140 I N 1.308 121.918 120.570 0.066 0.000 2.647 140 I HA 0.207 4.377 4.170 0.001 0.000 0.295 140 I C -1.520 174.628 176.117 0.052 0.000 1.078 140 I CA -0.738 60.587 61.300 0.041 0.000 1.048 140 I CB 2.885 40.881 38.000 -0.007 0.000 1.239 140 I HN -0.380 nan 8.210 nan 0.000 0.421 141 V N 7.882 127.833 119.914 0.060 0.000 2.409 141 V HA 0.332 4.453 4.120 0.001 0.000 0.290 141 V C -2.311 173.838 176.094 0.090 0.000 1.017 141 V CA -1.400 60.953 62.300 0.088 0.000 0.841 141 V CB 1.566 33.451 31.823 0.104 0.000 1.003 141 V HN 0.547 nan 8.190 nan 0.000 0.426 142 P HA 0.191 nan 4.420 nan 0.000 0.263 142 P C -0.519 176.874 177.300 0.155 0.000 1.601 142 P CA 0.258 63.462 63.100 0.172 0.000 1.161 142 P CB 0.649 32.579 31.700 0.383 0.000 1.730 143 V N 0.731 120.709 119.914 0.107 0.000 3.040 143 V HA 0.914 5.034 4.120 0.001 0.000 0.312 143 V C 0.452 176.586 176.094 0.067 0.000 1.115 143 V CA -0.947 61.409 62.300 0.093 0.000 0.998 143 V CB 1.631 33.512 31.823 0.096 0.000 1.042 143 V HN 0.388 nan 8.190 nan 0.000 0.433 144 G N 0.122 108.957 108.800 0.058 0.000 2.508 144 G HA2 0.386 4.346 3.960 0.001 0.000 0.278 144 G HA3 0.386 4.346 3.960 0.001 0.000 0.278 144 G C 0.341 175.262 174.900 0.034 0.000 1.389 144 G CA -0.137 44.987 45.100 0.040 0.000 1.050 144 G HN 0.811 nan 8.290 nan 0.000 0.522 145 E N 0.350 120.563 120.200 0.023 0.000 2.274 145 E HA -0.107 4.243 4.350 0.001 0.000 0.194 145 E C 2.046 178.649 176.600 0.005 0.000 0.996 145 E CA 0.955 57.363 56.400 0.013 0.000 0.840 145 E CB 0.000 29.705 29.700 0.008 0.000 0.772 145 E HN 0.631 nan 8.360 nan 0.000 0.491 146 D N 0.465 120.874 120.400 0.014 0.000 2.309 146 D HA -0.173 4.467 4.640 0.001 0.000 0.212 146 D C 1.236 177.539 176.300 0.005 0.000 0.968 146 D CA 0.714 54.719 54.000 0.009 0.000 0.882 146 D CB -0.070 40.746 40.800 0.028 0.000 0.918 146 D HN 0.131 nan 8.370 nan 0.000 0.503 147 Q N 0.102 119.926 119.800 0.038 0.000 2.247 147 Q HA 0.098 4.439 4.340 0.001 0.000 0.211 147 Q C 1.799 177.822 176.000 0.039 0.000 0.861 147 Q CA -0.127 55.728 55.803 0.087 0.000 0.949 147 Q CB 0.767 29.595 28.738 0.149 0.000 1.115 147 Q HN 0.429 nan 8.270 nan 0.000 0.507 148 K N 1.572 121.970 120.400 -0.003 0.000 2.020 148 K HA -0.250 4.070 4.320 0.001 0.000 0.212 148 K C 1.868 178.453 176.600 -0.025 0.000 1.050 148 K CA 1.693 57.976 56.287 -0.005 0.000 0.929 148 K CB 0.149 32.642 32.500 -0.012 0.000 0.714 148 K HN 0.133 nan 8.250 nan 0.000 0.443 149 Q N -0.644 119.102 119.800 -0.090 0.000 2.124 149 Q HA -0.201 4.139 4.340 0.001 0.000 0.202 149 Q C 2.097 178.058 176.000 -0.065 0.000 0.977 149 Q CA 1.539 57.276 55.803 -0.110 0.000 0.850 149 Q CB 0.001 28.628 28.738 -0.186 0.000 0.901 149 Q HN 0.492 nan 8.270 nan 0.000 0.429 150 H N -0.054 119.014 119.070 -0.004 0.000 2.321 150 H HA -0.121 4.435 4.556 0.001 0.000 0.300 150 H C 2.067 177.383 175.328 -0.021 0.000 1.087 150 H CA 1.285 57.325 56.048 -0.014 0.000 1.319 150 H CB -0.099 29.674 29.762 0.018 0.000 1.379 150 H HN 0.272 nan 8.280 nan 0.000 0.501 151 I N 1.287 121.928 120.570 0.118 0.000 2.286 151 I HA -0.191 3.979 4.170 0.001 0.000 0.248 151 I C 2.144 178.273 176.117 0.021 0.000 1.115 151 I CA 1.036 62.369 61.300 0.056 0.000 1.392 151 I CB -0.907 37.123 38.000 0.050 0.000 1.065 151 I HN 0.313 nan 8.210 nan 0.000 0.418 152 E N 0.425 120.634 120.200 0.015 0.000 2.110 152 E HA -0.235 4.115 4.350 0.001 0.000 0.193 152 E C 2.225 178.818 176.600 -0.011 0.000 0.988 152 E CA 0.956 57.355 56.400 -0.001 0.000 0.804 152 E CB -0.259 29.437 29.700 -0.006 0.000 0.745 152 E HN 0.294 nan 8.360 nan 0.000 0.458 153 L N 1.182 122.402 121.223 -0.005 0.000 2.056 153 L HA -0.134 4.206 4.340 0.001 0.000 0.207 153 L C 2.610 179.444 176.870 -0.059 0.000 1.078 153 L CA 2.194 57.019 54.840 -0.025 0.000 0.749 153 L CB -0.799 41.256 42.059 -0.007 0.000 0.901 153 L HN 0.094 nan 8.230 nan 0.000 0.433 154 T N -1.663 112.857 114.554 -0.057 0.000 2.915 154 T HA -0.175 4.175 4.350 0.001 0.000 0.269 154 T C 2.058 176.686 174.700 -0.120 0.000 1.071 154 T CA 1.357 63.391 62.100 -0.111 0.000 1.132 154 T CB -0.173 68.632 68.868 -0.106 0.000 0.878 154 T HN 0.428 nan 8.240 nan 0.000 0.479 155 R N 0.478 120.937 120.500 -0.069 0.000 2.090 155 R HA 0.014 4.354 4.340 0.001 0.000 0.228 155 R C 2.303 178.572 176.300 -0.052 0.000 1.110 155 R CA 1.577 57.645 56.100 -0.052 0.000 0.973 155 R CB -0.182 30.105 30.300 -0.021 0.000 0.869 155 R HN 0.423 nan 8.270 nan 0.000 0.440 156 D N 0.803 121.173 120.400 -0.050 0.000 2.117 156 D HA -0.125 4.515 4.640 0.001 0.000 0.198 156 D C 1.956 178.214 176.300 -0.069 0.000 0.982 156 D CA 1.034 55.007 54.000 -0.045 0.000 0.828 156 D CB -0.071 40.707 40.800 -0.038 0.000 0.967 156 D HN 0.169 nan 8.370 nan 0.000 0.464 157 L N 0.609 121.765 121.223 -0.112 0.000 2.093 157 L HA -0.105 4.235 4.340 0.001 0.000 0.208 157 L C 2.512 179.287 176.870 -0.158 0.000 1.085 157 L CA 0.931 55.682 54.840 -0.149 0.000 0.755 157 L CB -0.336 41.600 42.059 -0.205 0.000 0.904 157 L HN -0.026 nan 8.230 nan 0.000 0.435 158 A N -0.131 122.563 122.820 -0.210 0.000 1.877 158 A HA -0.254 4.066 4.320 0.001 0.000 0.216 158 A C 2.166 179.768 177.584 0.030 0.000 1.186 158 A CA 1.869 53.775 52.037 -0.218 0.000 0.620 158 A CB -0.439 18.456 19.000 -0.176 0.000 0.822 158 A HN 0.360 nan 8.150 nan 0.000 0.443 159 E N -0.559 119.653 120.200 0.019 0.000 2.051 159 E HA -0.178 4.172 4.350 0.001 0.000 0.192 159 E C 2.247 178.890 176.600 0.071 0.000 0.991 159 E CA 1.366 57.798 56.400 0.054 0.000 0.799 159 E CB -0.146 29.568 29.700 0.023 0.000 0.748 159 E HN 0.552 nan 8.360 nan 0.000 0.449 160 R N -0.745 119.779 120.500 0.040 0.000 2.083 160 R HA -0.182 4.159 4.340 0.001 0.000 0.237 160 R C 2.230 178.585 176.300 0.091 0.000 1.137 160 R CA 1.687 57.804 56.100 0.028 0.000 0.951 160 R CB -0.448 29.834 30.300 -0.030 0.000 0.851 160 R HN 0.270 nan 8.270 nan 0.000 0.434 161 F N 1.474 121.445 119.950 0.035 0.000 2.113 161 F HA -0.199 4.328 4.527 0.000 0.000 0.297 161 F C 1.975 177.915 175.800 0.233 0.000 1.103 161 F CA 1.564 59.674 58.000 0.183 0.000 1.248 161 F CB -0.201 38.912 39.000 0.189 0.000 0.999 161 F HN 0.094 nan 8.300 nan 0.000 0.475 162 N N 0.990 119.979 118.700 0.483 0.000 2.025 162 N HA -0.198 4.542 4.740 0.001 0.000 0.194 162 N C 1.751 177.344 175.510 0.138 0.000 1.044 162 N CA 1.738 54.987 53.050 0.331 0.000 0.851 162 N CB -0.520 38.117 38.487 0.250 0.000 1.036 162 N HN 0.326 nan 8.380 nan 0.000 0.422 163 K N 0.596 121.042 120.400 0.075 0.000 2.103 163 K HA -0.106 4.215 4.320 0.001 0.000 0.207 163 K C 2.141 178.697 176.600 -0.074 0.000 1.048 163 K CA 0.771 57.059 56.287 0.003 0.000 0.930 163 K CB -0.035 32.462 32.500 -0.005 0.000 0.716 163 K HN 0.159 nan 8.250 nan 0.000 0.444 164 R N 0.058 120.470 120.500 -0.146 0.000 2.057 164 R HA -0.038 4.302 4.340 0.001 0.000 0.229 164 R C 0.499 176.496 176.300 -0.505 0.000 1.136 164 R CA 1.321 57.191 56.100 -0.382 0.000 0.952 164 R CB 0.112 30.077 30.300 -0.558 0.000 0.848 164 R HN 0.084 nan 8.270 nan 0.000 0.430 170 T N 3.430 118.069 114.554 0.142 0.000 2.856 170 T HA 0.444 4.794 4.350 0.001 0.000 0.292 170 T C -0.104 174.642 174.700 0.077 0.000 0.980 170 T CA -0.331 61.823 62.100 0.089 0.000 1.091 170 T CB 0.521 69.426 68.868 0.061 0.000 0.936 170 T HN 0.190 nan 8.240 nan 0.000 0.503 171 I N 6.775 127.379 120.570 0.058 0.000 2.494 171 I HA 0.181 4.351 4.170 0.001 0.000 0.289 171 I C -1.496 174.637 176.117 0.027 0.000 1.106 171 I CA -3.253 58.067 61.300 0.033 0.000 1.369 171 I CB -0.542 37.477 38.000 0.032 0.000 1.410 171 I HN 0.388 nan 8.210 nan 0.000 0.523 172 P HA 0.216 nan 4.420 nan 0.000 0.274 172 P C -0.485 176.829 177.300 0.024 0.000 1.237 172 P CA -0.417 62.694 63.100 0.018 0.000 0.793 172 P CB 1.334 33.032 31.700 -0.003 0.000 0.977 173 E N -0.223 119.997 120.200 0.034 0.000 2.272 173 E HA 0.531 4.881 4.350 0.001 0.000 0.269 173 E C -1.084 175.540 176.600 0.039 0.000 0.877 173 E CA -1.075 55.346 56.400 0.034 0.000 0.755 173 E CB 1.757 31.480 29.700 0.038 0.000 1.192 173 E HN 0.440 nan 8.360 nan 0.000 0.422 174 A N 5.059 127.902 122.820 0.038 0.000 2.527 174 A HA 0.341 4.662 4.320 0.001 0.000 0.313 174 A C -0.178 177.430 177.584 0.040 0.000 1.410 174 A CA -0.123 51.941 52.037 0.044 0.000 1.060 174 A CB -0.056 18.971 19.000 0.044 0.000 1.137 174 A HN 0.502 nan 8.150 nan 0.000 0.542 175 R N 3.816 124.341 120.500 0.041 0.000 2.531 175 R HA 0.356 4.696 4.340 0.001 0.000 0.293 175 R C -1.598 174.722 176.300 0.032 0.000 1.124 175 R CA -0.523 55.595 56.100 0.031 0.000 0.945 175 R CB 0.806 31.120 30.300 0.024 0.000 1.195 175 R HN 0.645 nan 8.270 nan 0.000 0.433 176 I N 7.460 128.051 120.570 0.035 0.000 2.452 176 I HA 0.142 4.312 4.170 0.001 0.000 0.287 176 I C -1.119 174.997 176.117 -0.002 0.000 1.079 176 I CA -1.585 59.734 61.300 0.032 0.000 1.387 176 I CB 1.222 39.225 38.000 0.004 0.000 1.404 176 I HN 0.491 nan 8.210 nan 0.000 0.522 177 P HA -0.034 nan 4.420 nan 0.000 0.216 177 P C 0.214 177.510 177.300 -0.007 0.000 1.156 177 P CA 0.979 64.062 63.100 -0.029 0.000 0.855 177 P CB 0.421 32.051 31.700 -0.117 0.000 0.786 178 K N 0.969 121.351 120.400 -0.030 0.000 2.316 178 K HA 0.364 4.684 4.320 0.001 0.000 0.267 178 K C -0.793 175.759 176.600 -0.080 0.000 1.025 178 K CA -0.787 55.477 56.287 -0.039 0.000 0.896 178 K CB 1.405 33.885 32.500 -0.035 0.000 1.124 178 K HN -0.134 nan 8.250 nan 0.000 0.451 179 V N 2.947 122.830 119.914 -0.053 0.000 2.488 179 V HA 0.322 4.442 4.120 0.001 0.000 0.277 179 V C 1.086 177.140 176.094 -0.067 0.000 1.046 179 V CA -0.205 62.061 62.300 -0.057 0.000 0.986 179 V CB 1.190 32.995 31.823 -0.030 0.000 0.989 179 V HN 0.843 nan 8.190 nan 0.000 0.475 180 G N 3.146 111.896 108.800 -0.083 0.000 2.795 180 G HA2 0.713 4.673 3.960 0.001 0.000 0.267 180 G HA3 0.713 4.673 3.960 0.001 0.000 0.267 180 G C -0.243 174.630 174.900 -0.043 0.000 1.362 180 G CA -0.243 44.811 45.100 -0.076 0.000 1.048 180 G HN 1.005 nan 8.290 nan 0.000 0.547 181 A N -0.619 122.184 122.820 -0.028 0.000 2.322 181 A HA 0.601 4.921 4.320 0.001 0.000 0.269 181 A C 0.572 178.159 177.584 0.006 0.000 1.094 181 A CA -0.462 51.577 52.037 0.004 0.000 0.807 181 A CB 0.382 19.399 19.000 0.029 0.000 1.047 181 A HN 0.567 nan 8.150 nan 0.000 0.487 182 R N 2.092 122.607 120.500 0.024 0.000 2.248 182 R HA 0.260 4.600 4.340 0.001 0.000 0.337 182 R C -0.761 175.559 176.300 0.033 0.000 1.106 182 R CA -0.485 55.628 56.100 0.023 0.000 0.959 182 R CB -0.172 30.143 30.300 0.025 0.000 1.075 182 R HN 0.572 nan 8.270 nan 0.000 0.480 183 I N 5.609 126.196 120.570 0.028 0.000 2.471 183 I HA 0.086 4.257 4.170 0.001 0.000 0.286 183 I C 0.648 176.785 176.117 0.032 0.000 1.079 183 I CA 0.163 61.484 61.300 0.035 0.000 1.398 183 I CB 0.632 38.654 38.000 0.037 0.000 1.403 183 I HN 0.551 nan 8.210 nan 0.000 0.530 184 M N 3.671 123.290 119.600 0.030 0.000 2.573 184 M HA 0.277 4.758 4.480 0.001 0.000 0.309 184 M C 0.578 176.895 176.300 0.029 0.000 1.202 184 M CA -0.665 54.650 55.300 0.024 0.000 0.975 184 M CB 1.252 33.859 32.600 0.011 0.000 1.600 184 M HN 0.611 nan 8.290 nan 0.000 0.479 185 S N 0.639 116.358 115.700 0.032 0.000 2.563 185 S HA 0.140 4.610 4.470 0.001 0.000 0.284 185 S C 1.022 175.630 174.600 0.014 0.000 1.331 185 S CA -0.391 57.832 58.200 0.039 0.000 1.047 185 S CB 0.282 63.508 63.200 0.044 0.000 0.859 185 S HN 0.635 nan 8.310 nan 0.000 0.514 186 L N 4.049 125.275 121.223 0.005 0.000 2.291 186 L HA 0.016 4.357 4.340 0.001 0.000 0.214 186 L C 2.286 179.141 176.870 -0.025 0.000 1.120 186 L CA 0.861 55.690 54.840 -0.019 0.000 0.799 186 L CB -0.618 41.421 42.059 -0.035 0.000 0.925 186 L HN 0.811 nan 8.230 nan 0.000 0.446 187 V N -4.108 115.795 119.914 -0.018 0.000 3.125 187 V HA 0.136 4.256 4.120 0.001 0.000 0.249 187 V C 0.296 176.382 176.094 -0.012 0.000 1.113 187 V CA 0.512 62.801 62.300 -0.019 0.000 1.106 187 V CB 0.302 32.114 31.823 -0.020 0.000 0.768 187 V HN 0.238 nan 8.190 nan 0.000 0.468 188 D N 1.304 121.701 120.400 -0.005 0.000 2.375 188 D HA 0.390 5.030 4.640 0.001 0.000 0.259 188 D C -1.910 174.386 176.300 -0.007 0.000 1.235 188 D CA -2.091 51.906 54.000 -0.005 0.000 0.924 188 D CB 1.930 42.732 40.800 0.004 0.000 1.143 188 D HN 0.195 nan 8.370 nan 0.000 0.529 189 P HA -0.106 nan 4.420 nan 0.000 0.228 189 P C 1.010 178.298 177.300 -0.021 0.000 1.151 189 P CA 0.967 64.051 63.100 -0.026 0.000 0.770 189 P CB 0.013 31.686 31.700 -0.045 0.000 0.786 190 T N -4.966 109.580 114.554 -0.014 0.000 3.060 190 T HA 0.156 4.506 4.350 0.001 0.000 0.249 190 T C 0.747 175.446 174.700 -0.000 0.000 1.079 190 T CA -0.094 62.000 62.100 -0.010 0.000 1.013 190 T CB 0.008 68.871 68.868 -0.010 0.000 0.975 190 T HN -0.026 nan 8.240 nan 0.000 0.518 191 K N 1.581 121.983 120.400 0.004 0.000 2.182 191 K HA 0.371 4.691 4.320 0.001 0.000 0.262 191 K C -0.376 176.234 176.600 0.017 0.000 0.957 191 K CA -0.770 55.524 56.287 0.011 0.000 0.842 191 K CB 1.470 33.979 32.500 0.015 0.000 1.099 191 K HN 0.086 nan 8.250 nan 0.000 0.438 192 K N 3.659 124.069 120.400 0.017 0.000 2.436 192 K HA -0.001 4.320 4.320 0.001 0.000 0.275 192 K C 0.117 176.734 176.600 0.028 0.000 0.999 192 K CA -0.020 56.279 56.287 0.020 0.000 0.980 192 K CB 0.587 33.096 32.500 0.016 0.000 0.919 192 K HN 0.607 nan 8.250 nan 0.000 0.484 193 M N 3.371 122.992 119.600 0.035 0.000 2.227 193 M HA 0.015 4.496 4.480 0.001 0.000 0.349 193 M C -0.732 175.582 176.300 0.024 0.000 1.443 193 M CA 0.578 55.911 55.300 0.055 0.000 1.110 193 M CB 0.627 33.269 32.600 0.070 0.000 1.773 193 M HN 0.531 nan 8.290 nan 0.000 0.463 194 S N 3.594 119.299 115.700 0.009 0.000 2.548 194 S HA 0.392 4.862 4.470 0.001 0.000 0.286 194 S C 0.411 174.851 174.600 -0.268 0.000 1.098 194 S CA -0.920 57.233 58.200 -0.079 0.000 0.930 194 S CB 1.612 64.785 63.200 -0.044 0.000 1.070 194 S HN 0.901 nan 8.310 nan 0.000 0.480 195 K N 1.371 121.550 120.400 -0.369 0.000 2.439 195 K HA 0.085 4.405 4.320 0.001 0.000 0.197 195 K C 0.676 177.005 176.600 -0.452 0.000 1.041 195 K CA 1.115 57.002 56.287 -0.667 0.000 0.970 195 K CB -0.155 32.107 32.500 -0.397 0.000 0.773 195 K HN 0.347 nan 8.250 nan 0.000 0.479 196 S N 1.151 116.721 115.700 -0.217 0.000 2.614 196 S HA 0.038 4.509 4.470 0.001 0.000 0.230 196 S C -0.204 174.384 174.600 -0.020 0.000 0.952 196 S CA -0.509 57.636 58.200 -0.092 0.000 0.949 196 S CB -0.091 63.077 63.200 -0.053 0.000 0.786 196 S HN 0.290 nan 8.310 nan 0.000 0.478 197 D N 2.579 122.987 120.400 0.012 0.000 2.390 197 D HA 0.125 4.765 4.640 0.001 0.000 0.249 197 D C -1.609 174.785 176.300 0.157 0.000 1.144 197 D CA -1.561 52.511 54.000 0.120 0.000 0.880 197 D CB 1.432 42.367 40.800 0.226 0.000 1.182 197 D HN -0.020 nan 8.370 nan 0.000 0.451 198 P HA -0.074 nan 4.420 nan 0.000 0.220 198 P C 0.046 177.391 177.300 0.074 0.000 1.148 198 P CA 0.814 63.958 63.100 0.073 0.000 0.803 198 P CB 0.208 31.934 31.700 0.043 0.000 0.782 199 N N -0.330 118.415 118.700 0.075 0.000 2.462 199 N HA 0.140 4.880 4.740 0.001 0.000 0.242 199 N C -1.852 173.640 175.510 -0.030 0.000 1.010 199 N CA -1.989 51.073 53.050 0.021 0.000 0.939 199 N CB 1.181 39.669 38.487 0.002 0.000 1.127 199 N HN -0.144 nan 8.380 nan 0.000 0.509 200 P HA -0.141 nan 4.420 nan 0.000 0.223 200 P C 0.357 177.289 177.300 -0.615 0.000 1.144 200 P CA 1.137 63.979 63.100 -0.431 0.000 0.783 200 P CB 0.242 31.814 31.700 -0.213 0.000 0.771 201 K N -0.637 119.581 120.400 -0.303 0.000 2.365 201 K HA 0.075 4.395 4.320 0.001 0.000 0.199 201 K C 1.940 178.415 176.600 -0.207 0.000 1.045 201 K CA 0.898 57.045 56.287 -0.233 0.000 0.962 201 K CB -0.306 32.118 32.500 -0.126 0.000 0.759 201 K HN 0.068 nan 8.250 nan 0.000 0.469 202 A N 1.139 123.856 122.820 -0.173 0.000 2.066 202 A HA -0.078 4.242 4.320 0.001 0.000 0.218 202 A C 0.667 178.275 177.584 0.040 0.000 1.157 202 A CA 0.815 52.836 52.037 -0.027 0.000 0.670 202 A CB -0.346 18.700 19.000 0.077 0.000 0.804 202 A HN 0.386 nan 8.150 nan 0.000 0.453 203 Y N -3.697 116.592 120.300 -0.018 0.000 2.634 203 Y HA 0.792 5.342 4.550 0.001 0.000 0.340 203 Y C -0.826 175.058 175.900 -0.027 0.000 1.058 203 Y CA -2.160 55.928 58.100 -0.019 0.000 1.081 203 Y CB 0.985 39.436 38.460 -0.015 0.000 1.295 203 Y HN -0.115 nan 8.280 nan 0.000 0.487 204 I N 2.032 122.702 120.570 0.168 0.000 2.418 204 I HA 0.285 4.456 4.170 0.001 0.000 0.287 204 I C -0.534 175.660 176.117 0.129 0.000 1.008 204 I CA -0.617 60.725 61.300 0.070 0.000 1.104 204 I CB 2.196 40.197 38.000 0.002 0.000 1.264 204 I HN 0.762 nan 8.210 nan 0.000 0.438 205 T N 6.034 120.656 114.554 0.114 0.000 2.904 205 T HA 0.283 4.634 4.350 0.001 0.000 0.290 205 T C 1.429 176.101 174.700 -0.047 0.000 1.018 205 T CA -0.382 61.754 62.100 0.060 0.000 1.075 205 T CB 1.113 70.024 68.868 0.072 0.000 0.986 205 T HN 0.424 nan 8.240 nan 0.000 0.523 206 L N 2.420 123.580 121.223 -0.105 0.000 2.456 206 L HA 0.062 4.402 4.340 0.001 0.000 0.224 206 L C 1.457 178.203 176.870 -0.206 0.000 1.148 206 L CA 1.128 55.857 54.840 -0.186 0.000 0.825 206 L CB -0.215 41.701 42.059 -0.240 0.000 0.937 206 L HN 0.581 nan 8.230 nan 0.000 0.450 207 L N -1.671 119.441 121.223 -0.186 0.000 2.766 207 L HA 0.180 4.520 4.340 0.001 0.000 0.242 207 L C -0.007 176.804 176.870 -0.099 0.000 1.136 207 L CA -0.360 54.358 54.840 -0.203 0.000 0.933 207 L CB 0.247 42.125 42.059 -0.301 0.000 1.241 207 L HN 0.029 nan 8.230 nan 0.000 0.522 208 D N 1.779 122.137 120.400 -0.070 0.000 2.423 208 D HA 0.080 4.720 4.640 0.001 0.000 0.238 208 D C -0.091 176.184 176.300 -0.040 0.000 1.142 208 D CA 0.256 54.230 54.000 -0.044 0.000 0.884 208 D CB 0.985 41.760 40.800 -0.042 0.000 1.199 208 D HN 0.157 nan 8.370 nan 0.000 0.438 209 D N -0.471 119.912 120.400 -0.029 0.000 2.348 209 D HA 0.347 4.987 4.640 0.001 0.000 0.249 209 D C 0.827 177.108 176.300 -0.032 0.000 1.110 209 D CA -0.697 53.290 54.000 -0.022 0.000 0.967 209 D CB 0.623 41.416 40.800 -0.012 0.000 1.139 209 D HN 0.202 nan 8.370 nan 0.000 0.466 210 A N 0.957 123.759 122.820 -0.029 0.000 1.884 210 A HA -0.300 4.021 4.320 0.001 0.000 0.219 210 A C 2.000 179.562 177.584 -0.037 0.000 1.197 210 A CA 2.131 54.148 52.037 -0.035 0.000 0.637 210 A CB -0.883 18.099 19.000 -0.029 0.000 0.827 210 A HN 0.674 nan 8.150 nan 0.000 0.450 211 K N -1.225 119.157 120.400 -0.031 0.000 2.044 211 K HA -0.167 4.153 4.320 0.001 0.000 0.210 211 K C 2.147 178.724 176.600 -0.038 0.000 1.049 211 K CA 2.040 58.309 56.287 -0.031 0.000 0.927 211 K CB -0.429 32.056 32.500 -0.025 0.000 0.713 211 K HN 0.589 nan 8.250 nan 0.000 0.443 212 T N 1.744 116.274 114.554 -0.041 0.000 2.708 212 T HA -0.106 4.244 4.350 0.001 0.000 0.266 212 T C 1.964 176.627 174.700 -0.062 0.000 1.037 212 T CA 1.377 63.446 62.100 -0.052 0.000 1.146 212 T CB -0.194 68.643 68.868 -0.053 0.000 0.865 212 T HN 0.183 nan 8.240 nan 0.000 0.435 213 I N 1.088 121.622 120.570 -0.060 0.000 2.127 213 I HA -0.219 3.951 4.170 0.001 0.000 0.241 213 I C 2.737 178.812 176.117 -0.071 0.000 1.075 213 I CA 1.578 62.837 61.300 -0.068 0.000 1.334 213 I CB -0.477 37.482 38.000 -0.068 0.000 1.040 213 I HN 0.328 nan 8.210 nan 0.000 0.405 214 E N 0.785 120.948 120.200 -0.062 0.000 2.038 214 E HA -0.275 4.075 4.350 0.001 0.000 0.195 214 E C 2.253 178.821 176.600 -0.053 0.000 1.000 214 E CA 1.343 57.708 56.400 -0.058 0.000 0.803 214 E CB -0.083 29.590 29.700 -0.045 0.000 0.750 214 E HN 0.314 nan 8.360 nan 0.000 0.448 215 K N 1.014 121.385 120.400 -0.050 0.000 2.032 215 K HA -0.215 4.105 4.320 0.001 0.000 0.209 215 K C 2.049 178.615 176.600 -0.057 0.000 1.048 215 K CA 1.489 57.747 56.287 -0.047 0.000 0.927 215 K CB 0.016 32.488 32.500 -0.047 0.000 0.712 215 K HN -0.060 nan 8.250 nan 0.000 0.441 216 K N 0.320 120.678 120.400 -0.071 0.000 2.097 216 K HA -0.072 4.248 4.320 0.001 0.000 0.206 216 K C 2.059 178.616 176.600 -0.072 0.000 1.049 216 K CA 1.147 57.385 56.287 -0.082 0.000 0.933 216 K CB 0.001 32.438 32.500 -0.104 0.000 0.717 216 K HN 0.153 nan 8.250 nan 0.000 0.442 217 I N 1.316 121.842 120.570 -0.073 0.000 2.353 217 I HA -0.212 3.958 4.170 0.001 0.000 0.248 217 I C 1.770 177.852 176.117 -0.058 0.000 1.119 217 I CA 1.385 62.638 61.300 -0.077 0.000 1.417 217 I CB -0.549 37.388 38.000 -0.105 0.000 1.078 217 I HN 0.167 nan 8.210 nan 0.000 0.421 218 K N 0.507 120.880 120.400 -0.046 0.000 2.288 218 K HA 0.013 4.334 4.320 0.001 0.000 0.201 218 K C 1.019 177.610 176.600 -0.016 0.000 1.048 218 K CA 0.361 56.635 56.287 -0.022 0.000 0.956 218 K CB 0.148 32.639 32.500 -0.016 0.000 0.746 218 K HN 0.230 nan 8.250 nan 0.000 0.461 225 E N 1.589 121.835 120.200 0.078 0.000 2.023 225 E HA -0.084 4.266 4.350 0.001 0.000 0.196 225 E C 1.518 178.105 176.600 -0.022 0.000 1.003 225 E CA 1.620 58.046 56.400 0.042 0.000 0.809 225 E CB -0.270 29.470 29.700 0.067 0.000 0.755 225 E HN 0.665 nan 8.360 nan 0.000 0.449 226 G N 0.751 109.510 108.800 -0.068 0.000 2.141 226 G HA2 -0.238 3.722 3.960 0.001 0.000 0.231 226 G HA3 -0.238 3.722 3.960 0.001 0.000 0.231 226 G C 0.359 174.993 174.900 -0.444 0.000 0.984 226 G CA 0.785 45.605 45.100 -0.467 0.000 0.660 226 G HN 0.527 nan 8.290 nan 0.000 0.525 227 T N -1.030 113.443 114.554 -0.135 0.000 2.856 227 T HA 0.686 5.036 4.350 0.001 0.000 0.283 227 T C 0.427 175.175 174.700 0.079 0.000 1.008 227 T CA -1.037 61.033 62.100 -0.050 0.000 0.997 227 T CB 1.473 70.327 68.868 -0.024 0.000 0.992 227 T HN 0.510 nan 8.240 nan 0.000 0.454 228 I N 4.270 124.843 120.570 0.005 0.000 2.213 228 I HA 0.293 4.464 4.170 0.001 0.000 0.295 228 I C 0.558 176.630 176.117 -0.075 0.000 1.172 228 I CA -0.236 61.004 61.300 -0.100 0.000 1.443 228 I CB -1.001 36.809 38.000 -0.316 0.000 1.491 228 I HN 0.447 nan 8.210 nan 0.000 0.652 229 R N 3.062 123.545 120.500 -0.028 0.000 2.686 229 R HA 0.409 4.749 4.340 0.001 0.000 0.286 229 R C -0.874 175.445 176.300 0.032 0.000 0.969 229 R CA -0.873 55.235 56.100 0.014 0.000 0.898 229 R CB 2.813 33.126 30.300 0.022 0.000 1.183 229 R HN 0.224 nan 8.270 nan 0.000 0.456 237 G N 0.927 109.656 108.800 -0.119 0.000 2.511 237 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 237 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 237 G C 1.395 176.212 174.900 -0.138 0.000 1.218 237 G CA 1.371 46.401 45.100 -0.116 0.000 0.788 237 G HN 0.186 nan 8.290 nan 0.000 0.560 238 I N 1.685 122.133 120.570 -0.202 0.000 2.208 238 I HA -0.135 4.035 4.170 0.001 0.000 0.245 238 I C 3.009 179.051 176.117 -0.124 0.000 1.097 238 I CA 1.245 62.416 61.300 -0.216 0.000 1.363 238 I CB -1.048 36.776 38.000 -0.293 0.000 1.051 238 I HN 0.113 nan 8.210 nan 0.000 0.413 239 S N 0.752 116.320 115.700 -0.220 0.000 2.383 239 S HA -0.219 4.251 4.470 0.001 0.000 0.229 239 S C 1.798 176.355 174.600 -0.071 0.000 1.030 239 S CA 1.635 59.619 58.200 -0.359 0.000 1.002 239 S CB -0.475 62.191 63.200 -0.889 0.000 0.829 239 S HN 0.503 nan 8.310 nan 0.000 0.467 240 N N 1.254 119.922 118.700 -0.054 0.000 2.142 240 N HA -0.046 4.694 4.740 0.001 0.000 0.186 240 N C 1.497 177.061 175.510 0.091 0.000 1.023 240 N CA 0.877 53.947 53.050 0.032 0.000 0.852 240 N CB -0.425 38.061 38.487 -0.002 0.000 0.998 240 N HN 0.113 nan 8.380 nan 0.000 0.424 241 L N 0.697 121.977 121.223 0.096 0.000 2.046 241 L HA -0.035 4.305 4.340 0.001 0.000 0.208 241 L C 2.191 179.243 176.870 0.303 0.000 1.077 241 L CA 1.167 56.108 54.840 0.169 0.000 0.747 241 L CB -1.114 41.091 42.059 0.243 0.000 0.896 241 L HN 0.305 nan 8.230 nan 0.000 0.432 242 L N -0.860 120.573 121.223 0.350 0.000 2.083 242 L HA -0.220 4.120 4.340 0.001 0.000 0.209 242 L C 2.327 179.377 176.870 0.300 0.000 1.083 242 L CA 0.895 55.972 54.840 0.395 0.000 0.752 242 L CB -0.430 41.822 42.059 0.322 0.000 0.899 242 L HN 0.358 nan 8.230 nan 0.000 0.433 243 N N 0.106 118.965 118.700 0.265 0.000 2.188 243 N HA -0.126 4.614 4.740 0.001 0.000 0.184 243 N C 1.857 177.455 175.510 0.148 0.000 1.018 243 N CA 1.321 54.486 53.050 0.191 0.000 0.858 243 N CB -0.077 38.525 38.487 0.191 0.000 0.989 243 N HN 0.330 nan 8.380 nan 0.000 0.426 244 I N -0.318 120.339 120.570 0.144 0.000 2.252 244 I HA -0.273 3.897 4.170 0.001 0.000 0.245 244 I C 2.122 178.320 176.117 0.135 0.000 1.102 244 I CA 0.873 62.233 61.300 0.101 0.000 1.385 244 I CB -0.310 37.721 38.000 0.052 0.000 1.064 244 I HN 0.070 nan 8.210 nan 0.000 0.414 245 Y N 1.428 121.744 120.300 0.028 0.000 2.114 245 Y HA -0.280 4.271 4.550 0.001 0.000 0.284 245 Y C 3.041 178.971 175.900 0.051 0.000 1.143 245 Y CA 1.401 59.508 58.100 0.011 0.000 1.135 245 Y CB -0.795 37.672 38.460 0.013 0.000 0.980 245 Y HN 0.136 nan 8.280 nan 0.000 0.499 246 S N -0.865 115.003 115.700 0.280 0.000 2.351 246 S HA -0.234 4.237 4.470 0.001 0.000 0.220 246 S C 2.233 176.901 174.600 0.114 0.000 1.035 246 S CA 2.962 61.247 58.200 0.142 0.000 1.031 246 S CB -1.131 62.113 63.200 0.074 0.000 0.928 246 S HN 0.720 nan 8.310 nan 0.000 0.433 247 T N 0.306 114.915 114.554 0.092 0.000 2.833 247 T HA 0.025 4.375 4.350 0.001 0.000 0.269 247 T C 1.915 176.652 174.700 0.061 0.000 1.054 247 T CA 1.439 63.569 62.100 0.051 0.000 1.135 247 T CB -0.572 68.309 68.868 0.021 0.000 0.869 247 T HN 0.420 nan 8.240 nan 0.000 0.466 248 L N 1.312 122.592 121.223 0.094 0.000 2.209 248 L HA 0.086 4.427 4.340 0.001 0.000 0.207 248 L C 3.168 180.100 176.870 0.103 0.000 1.094 248 L CA 1.269 56.163 54.840 0.089 0.000 0.790 248 L CB -0.442 41.656 42.059 0.065 0.000 0.932 248 L HN 0.505 nan 8.230 nan 0.000 0.447 249 S N -0.969 114.830 115.700 0.165 0.000 2.458 249 S HA 0.062 4.533 4.470 0.001 0.000 0.223 249 S C 1.641 176.313 174.600 0.120 0.000 1.019 249 S CA 0.745 59.056 58.200 0.184 0.000 0.937 249 S CB 0.536 63.952 63.200 0.360 0.000 0.788 249 S HN 0.504 nan 8.310 nan 0.000 0.511 250 G N 0.612 109.469 108.800 0.095 0.000 2.195 250 G HA2 -0.223 3.737 3.960 0.001 0.000 0.246 250 G HA3 -0.223 3.737 3.960 0.001 0.000 0.246 250 G C -0.129 174.798 174.900 0.046 0.000 0.984 250 G CA 0.146 45.281 45.100 0.058 0.000 0.633 250 G HN 0.656 nan 8.290 nan 0.000 0.525 251 Q N 1.066 120.899 119.800 0.056 0.000 2.299 251 Q HA 0.555 4.896 4.340 0.001 0.000 0.246 251 Q C 0.827 176.832 176.000 0.008 0.000 0.935 251 Q CA 0.179 55.996 55.803 0.025 0.000 0.887 251 Q CB 1.416 30.161 28.738 0.011 0.000 1.223 251 Q HN 0.655 nan 8.270 nan 0.000 0.439 252 S N 0.935 116.632 115.700 -0.006 0.000 2.593 252 S HA 0.140 4.610 4.470 0.001 0.000 0.269 252 S C 0.973 175.557 174.600 -0.025 0.000 1.334 252 S CA -0.509 57.680 58.200 -0.019 0.000 1.015 252 S CB 0.431 63.618 63.200 -0.023 0.000 0.912 252 S HN 0.658 nan 8.310 nan 0.000 0.541 253 I N 1.320 121.863 120.570 -0.044 0.000 2.361 253 I HA -0.146 4.024 4.170 0.001 0.000 0.251 253 I C 2.229 178.334 176.117 -0.020 0.000 1.133 253 I CA 1.355 62.631 61.300 -0.039 0.000 1.413 253 I CB -0.352 37.575 38.000 -0.122 0.000 1.073 253 I HN 0.718 nan 8.210 nan 0.000 0.424 254 E N 0.525 120.707 120.200 -0.029 0.000 2.072 254 E HA -0.210 4.140 4.350 0.001 0.000 0.190 254 E C 1.961 178.558 176.600 -0.004 0.000 0.982 254 E CA 0.852 57.244 56.400 -0.014 0.000 0.803 254 E CB -0.159 29.529 29.700 -0.020 0.000 0.755 254 E HN 0.370 nan 8.360 nan 0.000 0.453 255 E N 0.526 120.721 120.200 -0.010 0.000 2.049 255 E HA -0.188 4.162 4.350 0.001 0.000 0.198 255 E C 1.917 178.519 176.600 0.003 0.000 1.007 255 E CA 1.189 57.584 56.400 -0.008 0.000 0.809 255 E CB -0.137 29.556 29.700 -0.012 0.000 0.749 255 E HN 0.170 nan 8.360 nan 0.000 0.450 256 L N 0.433 121.660 121.223 0.007 0.000 2.046 256 L HA -0.207 4.133 4.340 0.001 0.000 0.208 256 L C 2.456 179.412 176.870 0.143 0.000 1.077 256 L CA 1.261 56.143 54.840 0.071 0.000 0.747 256 L CB -0.387 41.660 42.059 -0.020 0.000 0.896 256 L HN 0.176 nan 8.230 nan 0.000 0.432 257 E N -0.049 120.189 120.200 0.063 0.000 2.070 257 E HA -0.253 4.098 4.350 0.001 0.000 0.197 257 E C 2.404 179.036 176.600 0.053 0.000 1.004 257 E CA 1.343 57.773 56.400 0.049 0.000 0.805 257 E CB 0.031 29.748 29.700 0.028 0.000 0.744 257 E HN 0.366 nan 8.360 nan 0.000 0.451 258 R N 0.207 120.724 120.500 0.029 0.000 2.066 258 R HA -0.161 4.180 4.340 0.001 0.000 0.232 258 R C 2.547 178.841 176.300 -0.011 0.000 1.131 258 R CA 1.523 57.627 56.100 0.007 0.000 0.955 258 R CB -0.282 30.014 30.300 -0.006 0.000 0.851 258 R HN 0.218 nan 8.270 nan 0.000 0.432 259 Q N -0.062 119.718 119.800 -0.033 0.000 2.234 259 Q HA -0.191 4.149 4.340 0.001 0.000 0.206 259 Q C 0.493 176.317 176.000 -0.293 0.000 0.980 259 Q CA 1.575 57.279 55.803 -0.165 0.000 0.869 259 Q CB 0.112 28.718 28.738 -0.220 0.000 0.912 259 Q HN 0.461 nan 8.270 nan 0.000 0.436 260 Y N 0.597 120.905 120.300 0.014 0.000 2.555 260 Y HA 0.257 4.807 4.550 0.001 0.000 0.259 260 Y C 0.048 175.943 175.900 -0.009 0.000 1.179 260 Y CA -0.554 57.562 58.100 0.026 0.000 1.230 260 Y CB 0.552 39.033 38.460 0.034 0.000 1.146 260 Y HN 0.010 nan 8.280 nan 0.000 0.526 261 E N 0.846 121.085 120.200 0.065 0.000 2.529 261 E HA -0.021 4.330 4.350 0.001 0.000 0.259 261 E C 1.242 177.857 176.600 0.024 0.000 0.966 261 E CA 1.132 57.551 56.400 0.032 0.000 0.937 261 E CB 0.620 30.325 29.700 0.008 0.000 0.923 261 E HN 0.695 nan 8.360 nan 0.000 0.468 262 G N 3.797 112.604 108.800 0.012 0.000 2.180 262 G HA2 -0.340 3.621 3.960 0.001 0.000 0.263 262 G HA3 -0.340 3.621 3.960 0.001 0.000 0.263 262 G C 0.371 175.276 174.900 0.009 0.000 0.989 262 G CA 1.125 46.225 45.100 -0.000 0.000 0.692 262 G HN 0.455 nan 8.290 nan 0.000 0.526 263 K N -0.188 120.238 120.400 0.044 0.000 2.139 263 K HA 0.613 4.933 4.320 0.001 0.000 0.243 263 K C 0.967 177.585 176.600 0.030 0.000 0.983 263 K CA -0.134 56.203 56.287 0.084 0.000 0.890 263 K CB 1.358 33.988 32.500 0.215 0.000 1.090 263 K HN 0.217 nan 8.250 nan 0.000 0.445 264 G N -0.096 108.724 108.800 0.034 0.000 2.511 264 G HA2 0.129 4.089 3.960 0.001 0.000 0.316 264 G HA3 0.129 4.089 3.960 0.001 0.000 0.316 264 G C -0.108 174.839 174.900 0.078 0.000 1.210 264 G CA -0.219 44.837 45.100 -0.074 0.000 0.969 264 G HN 0.549 nan 8.290 nan 0.000 0.492 265 Y N 0.618 120.963 120.300 0.075 0.000 2.314 265 Y HA 0.012 4.562 4.550 0.001 0.000 0.293 265 Y C 2.828 178.819 175.900 0.151 0.000 1.129 265 Y CA 0.538 58.709 58.100 0.118 0.000 1.201 265 Y CB -1.013 37.492 38.460 0.076 0.000 0.999 265 Y HN 0.524 nan 8.280 nan 0.000 0.541 266 G N 0.684 109.629 108.800 0.242 0.000 2.514 266 G HA2 -0.286 3.675 3.960 0.001 0.000 0.217 266 G HA3 -0.286 3.675 3.960 0.001 0.000 0.217 266 G C 1.807 176.806 174.900 0.166 0.000 1.198 266 G CA 2.571 47.769 45.100 0.163 0.000 0.780 266 G HN 0.361 nan 8.290 nan 0.000 0.565 267 V N -1.744 118.289 119.914 0.199 0.000 2.407 267 V HA -0.046 4.075 4.120 0.001 0.000 0.248 267 V C 2.446 178.719 176.094 0.297 0.000 1.055 267 V CA 1.899 64.338 62.300 0.232 0.000 1.049 267 V CB -0.950 31.028 31.823 0.260 0.000 0.662 267 V HN 0.215 nan 8.190 nan 0.000 0.455 268 F N 1.707 121.735 119.950 0.129 0.000 2.102 268 F HA -0.058 4.470 4.527 0.001 0.000 0.298 268 F C 2.411 178.198 175.800 -0.021 0.000 1.105 268 F CA 2.140 60.084 58.000 -0.093 0.000 1.239 268 F CB -0.353 38.517 39.000 -0.218 0.000 0.991 268 F HN 0.026 nan 8.300 nan 0.000 0.474 269 K N -0.027 120.375 120.400 0.003 0.000 2.057 269 K HA -0.110 4.210 4.320 0.001 0.000 0.207 269 K C 2.286 178.805 176.600 -0.136 0.000 1.049 269 K CA 1.180 57.395 56.287 -0.119 0.000 0.931 269 K CB -0.565 31.942 32.500 0.011 0.000 0.714 269 K HN 0.333 nan 8.250 nan 0.000 0.440 270 A N 1.602 124.401 122.820 -0.036 0.000 1.972 270 A HA -0.220 4.101 4.320 0.001 0.000 0.219 270 A C 1.743 179.288 177.584 -0.064 0.000 1.169 270 A CA 1.792 53.812 52.037 -0.028 0.000 0.635 270 A CB -0.316 18.703 19.000 0.031 0.000 0.810 270 A HN 0.212 nan 8.150 nan 0.000 0.446 271 D N -0.547 119.812 120.400 -0.068 0.000 2.110 271 D HA -0.093 4.548 4.640 0.001 0.000 0.202 271 D C 1.937 178.009 176.300 -0.379 0.000 0.975 271 D CA 1.353 55.307 54.000 -0.077 0.000 0.839 271 D CB -0.303 40.616 40.800 0.198 0.000 0.996 271 D HN 0.323 nan 8.370 nan 0.000 0.464 272 L N 1.337 122.150 121.223 -0.684 0.000 2.079 272 L HA -0.107 4.234 4.340 0.001 0.000 0.210 272 L C 2.076 178.656 176.870 -0.484 0.000 1.081 272 L CA 1.925 56.215 54.840 -0.915 0.000 0.752 272 L CB -0.839 40.691 42.059 -0.883 0.000 0.896 272 L HN -0.049 nan 8.230 nan 0.000 0.433 273 A N -1.356 121.274 122.820 -0.316 0.000 1.972 273 A HA -0.197 4.123 4.320 0.001 0.000 0.219 273 A C 2.187 179.674 177.584 -0.162 0.000 1.169 273 A CA 1.547 53.467 52.037 -0.196 0.000 0.635 273 A CB -0.469 18.450 19.000 -0.135 0.000 0.810 273 A HN 0.576 nan 8.150 nan 0.000 0.446 274 Q N -0.527 119.175 119.800 -0.165 0.000 2.137 274 Q HA -0.064 4.277 4.340 0.001 0.000 0.198 274 Q C 2.460 178.389 176.000 -0.118 0.000 0.960 274 Q CA 1.636 57.372 55.803 -0.111 0.000 0.847 274 Q CB -0.807 27.886 28.738 -0.074 0.000 0.915 274 Q HN 0.698 nan 8.270 nan 0.000 0.448 275 V N -1.657 118.145 119.914 -0.187 0.000 2.358 275 V HA -0.151 3.969 4.120 0.001 0.000 0.246 275 V C 2.126 178.149 176.094 -0.117 0.000 1.047 275 V CA 1.627 63.836 62.300 -0.153 0.000 1.035 275 V CB -0.892 30.791 31.823 -0.233 0.000 0.658 275 V HN 0.074 nan 8.190 nan 0.000 0.452 276 V N 0.566 120.390 119.914 -0.150 0.000 2.332 276 V HA -0.245 3.875 4.120 0.001 0.000 0.248 276 V C 2.567 178.612 176.094 -0.081 0.000 1.055 276 V CA 2.704 64.941 62.300 -0.104 0.000 1.038 276 V CB -0.655 31.099 31.823 -0.116 0.000 0.651 276 V HN 0.528 nan 8.190 nan 0.000 0.450 277 I N -0.437 120.084 120.570 -0.082 0.000 2.179 277 I HA -0.188 3.982 4.170 0.001 0.000 0.242 277 I C 2.619 178.708 176.117 -0.046 0.000 1.088 277 I CA 1.310 62.574 61.300 -0.061 0.000 1.357 277 I CB -0.408 37.559 38.000 -0.056 0.000 1.051 277 I HN 0.245 nan 8.210 nan 0.000 0.409 278 E N 0.402 120.577 120.200 -0.041 0.000 2.204 278 E HA -0.157 4.193 4.350 0.001 0.000 0.195 278 E C 2.213 178.804 176.600 -0.016 0.000 0.990 278 E CA 1.349 57.735 56.400 -0.022 0.000 0.821 278 E CB -0.421 29.270 29.700 -0.014 0.000 0.750 278 E HN 0.457 nan 8.360 nan 0.000 0.477 279 T N 0.915 115.454 114.554 -0.025 0.000 2.809 279 T HA 0.030 4.380 4.350 0.001 0.000 0.260 279 T C 2.029 176.694 174.700 -0.059 0.000 1.039 279 T CA 0.528 62.617 62.100 -0.019 0.000 1.141 279 T CB -0.067 68.799 68.868 -0.003 0.000 0.869 279 T HN 0.101 nan 8.240 nan 0.000 0.437 280 L N 1.205 122.380 121.223 -0.080 0.000 2.156 280 L HA -0.014 4.326 4.340 0.001 0.000 0.208 280 L C 2.825 179.656 176.870 -0.065 0.000 1.095 280 L CA 1.185 55.961 54.840 -0.106 0.000 0.770 280 L CB -0.596 41.397 42.059 -0.109 0.000 0.914 280 L HN 0.307 nan 8.230 nan 0.000 0.439 281 R N 1.250 121.729 120.500 -0.035 0.000 2.096 281 R HA -0.142 4.198 4.340 0.001 0.000 0.240 281 R C -0.561 175.746 176.300 0.011 0.000 1.139 281 R CA 1.716 57.811 56.100 -0.008 0.000 0.952 281 R CB -2.093 28.204 30.300 -0.005 0.000 0.854 281 R HN 0.237 nan 8.270 nan 0.000 0.436 282 P HA -0.113 nan 4.420 nan 0.000 0.217 282 P C 1.453 178.778 177.300 0.042 0.000 1.150 282 P CA 1.321 64.441 63.100 0.033 0.000 0.832 282 P CB -0.061 31.658 31.700 0.032 0.000 0.787 283 I N -0.074 120.497 120.570 0.003 0.000 2.202 283 I HA -0.243 3.928 4.170 0.001 0.000 0.242 283 I C 2.833 178.966 176.117 0.028 0.000 1.091 283 I CA 1.477 62.772 61.300 -0.008 0.000 1.368 283 I CB -0.791 37.136 38.000 -0.122 0.000 1.058 283 I HN -0.070 nan 8.210 nan 0.000 0.410 284 Q N 0.589 120.389 119.800 0.001 0.000 2.135 284 Q HA -0.268 4.073 4.340 0.001 0.000 0.204 284 Q C 2.049 178.159 176.000 0.182 0.000 0.981 284 Q CA 1.958 57.781 55.803 0.032 0.000 0.856 284 Q CB -0.282 28.478 28.738 0.038 0.000 0.902 284 Q HN 0.670 nan 8.270 nan 0.000 0.425 285 E N 0.586 120.875 120.200 0.149 0.000 2.216 285 E HA -0.129 4.221 4.350 0.001 0.000 0.192 285 E C 1.881 178.487 176.600 0.010 0.000 0.988 285 E CA 0.355 56.817 56.400 0.102 0.000 0.834 285 E CB -0.079 29.635 29.700 0.022 0.000 0.772 285 E HN 0.214 nan 8.360 nan 0.000 0.479 286 R N -0.289 120.293 120.500 0.136 0.000 2.090 286 R HA -0.103 4.238 4.340 0.001 0.000 0.228 286 R C 2.209 178.678 176.300 0.281 0.000 1.110 286 R CA 1.363 57.602 56.100 0.232 0.000 0.973 286 R CB -0.388 30.064 30.300 0.253 0.000 0.869 286 R HN 0.294 nan 8.270 nan 0.000 0.440 287 Y N 0.786 121.136 120.300 0.083 0.000 2.224 287 Y HA -0.266 4.284 4.550 0.000 0.000 0.289 287 Y C 1.782 177.662 175.900 -0.034 0.000 1.146 287 Y CA 1.888 59.999 58.100 0.018 0.000 1.182 287 Y CB -0.241 38.114 38.460 -0.175 0.000 0.983 287 Y HN 0.148 nan 8.280 nan 0.000 0.524 288 H N -1.809 117.255 119.070 -0.009 0.000 2.389 288 H HA -0.074 4.482 4.556 0.001 0.000 0.299 288 H C 1.937 177.181 175.328 -0.139 0.000 1.081 288 H CA 1.928 57.888 56.048 -0.146 0.000 1.345 288 H CB -0.276 29.422 29.762 -0.107 0.000 1.393 288 H HN 0.521 nan 8.280 nan 0.000 0.520 289 H N -1.157 117.943 119.070 0.050 0.000 2.267 289 H HA -0.202 4.355 4.556 0.001 0.000 0.297 289 H C 1.775 177.038 175.328 -0.109 0.000 1.080 289 H CA 1.279 57.280 56.048 -0.079 0.000 1.278 289 H CB -0.202 29.449 29.762 -0.185 0.000 1.365 289 H HN 0.386 nan 8.280 nan 0.000 0.489 290 W N 0.325 121.647 121.300 0.037 0.000 2.317 290 W HA -0.255 4.406 4.660 0.001 0.000 0.318 290 W C 2.430 178.871 176.519 -0.130 0.000 1.227 290 W CA 0.424 57.739 57.345 -0.052 0.000 1.269 290 W CB -0.106 29.308 29.460 -0.076 0.000 1.155 290 W HN 0.189 nan 8.180 nan 0.000 0.484 291 M N 0.321 119.902 119.600 -0.032 0.000 2.267 291 M HA -0.174 4.307 4.480 0.001 0.000 0.263 291 M C 1.595 177.873 176.300 -0.038 0.000 1.063 291 M CA 1.754 56.957 55.300 -0.162 0.000 1.090 291 M CB -1.373 30.954 32.600 -0.455 0.000 1.392 291 M HN 0.310 nan 8.290 nan 0.000 0.422 292 E N -1.759 118.444 120.200 0.006 0.000 2.501 292 E HA 0.162 4.512 4.350 0.001 0.000 0.201 292 E C 0.356 176.972 176.600 0.027 0.000 1.016 292 E CA -0.163 56.251 56.400 0.022 0.000 0.920 292 E CB 0.293 30.012 29.700 0.032 0.000 1.023 292 E HN 0.114 nan 8.360 nan 0.000 0.474 293 S N 0.210 115.934 115.700 0.039 0.000 2.651 293 S HA 0.167 4.637 4.470 0.001 0.000 0.291 293 S C 0.642 175.279 174.600 0.062 0.000 1.141 293 S CA -0.539 57.673 58.200 0.019 0.000 1.027 293 S CB 1.859 65.022 63.200 -0.062 0.000 1.043 293 S HN 0.222 nan 8.310 nan 0.000 0.530 294 E N 0.750 120.974 120.200 0.041 0.000 2.299 294 E HA -0.030 4.321 4.350 0.001 0.000 0.193 294 E C 1.277 177.937 176.600 0.099 0.000 0.998 294 E CA 0.170 56.603 56.400 0.056 0.000 0.851 294 E CB 0.086 29.804 29.700 0.030 0.000 0.795 294 E HN 0.608 nan 8.360 nan 0.000 0.492 295 E N 0.844 121.114 120.200 0.118 0.000 2.171 295 E HA -0.212 4.138 4.350 0.001 0.000 0.197 295 E C 2.050 178.880 176.600 0.384 0.000 0.997 295 E CA 0.535 57.068 56.400 0.221 0.000 0.810 295 E CB -0.118 29.674 29.700 0.152 0.000 0.738 295 E HN 0.184 nan 8.360 nan 0.000 0.467 296 L N 1.833 123.309 121.223 0.422 0.000 1.971 296 L HA -0.221 4.120 4.340 0.001 0.000 0.215 296 L C 1.775 178.704 176.870 0.098 0.000 1.072 296 L CA 2.038 57.036 54.840 0.264 0.000 0.758 296 L CB -0.646 41.540 42.059 0.213 0.000 0.889 296 L HN -0.013 nan 8.230 nan 0.000 0.433 297 D N -1.024 119.428 120.400 0.086 0.000 2.144 297 D HA -0.198 4.443 4.640 0.001 0.000 0.199 297 D C 2.368 178.700 176.300 0.054 0.000 0.984 297 D CA 1.010 55.039 54.000 0.049 0.000 0.834 297 D CB 0.028 40.852 40.800 0.040 0.000 0.955 297 D HN 0.231 nan 8.370 nan 0.000 0.465 298 R N 0.217 120.764 120.500 0.078 0.000 2.073 298 R HA -0.087 4.253 4.340 0.001 0.000 0.234 298 R C 2.371 178.712 176.300 0.069 0.000 1.134 298 R CA 0.667 56.810 56.100 0.073 0.000 0.952 298 R CB -0.390 29.963 30.300 0.088 0.000 0.850 298 R HN 0.003 nan 8.270 nan 0.000 0.433 299 V N 0.641 120.604 119.914 0.082 0.000 2.407 299 V HA -0.209 3.911 4.120 0.001 0.000 0.248 299 V C 2.086 178.188 176.094 0.013 0.000 1.055 299 V CA 1.575 63.899 62.300 0.041 0.000 1.049 299 V CB -0.320 31.496 31.823 -0.012 0.000 0.662 299 V HN 0.320 nan 8.190 nan 0.000 0.455 300 L N -0.551 120.677 121.223 0.008 0.000 2.156 300 L HA -0.113 4.227 4.340 0.001 0.000 0.208 300 L C 2.269 179.168 176.870 0.048 0.000 1.095 300 L CA 1.165 56.016 54.840 0.019 0.000 0.770 300 L CB -0.580 41.479 42.059 -0.000 0.000 0.914 300 L HN 0.313 nan 8.230 nan 0.000 0.439 301 D N 0.007 120.432 120.400 0.041 0.000 2.117 301 D HA -0.187 4.454 4.640 0.001 0.000 0.197 301 D C 2.094 178.419 176.300 0.041 0.000 0.987 301 D CA 1.053 55.078 54.000 0.042 0.000 0.829 301 D CB 0.059 40.880 40.800 0.036 0.000 0.961 301 D HN 0.314 nan 8.370 nan 0.000 0.460 302 E N 0.013 120.235 120.200 0.037 0.000 2.072 302 E HA -0.080 4.270 4.350 0.001 0.000 0.191 302 E C 2.114 178.728 176.600 0.023 0.000 0.985 302 E CA 0.820 57.237 56.400 0.028 0.000 0.801 302 E CB -0.111 29.606 29.700 0.028 0.000 0.750 302 E HN 0.257 nan 8.360 nan 0.000 0.452 303 G N 1.103 109.927 108.800 0.041 0.000 2.421 303 G HA2 -0.284 3.676 3.960 0.001 0.000 0.216 303 G HA3 -0.284 3.676 3.960 0.001 0.000 0.216 303 G C 1.663 176.574 174.900 0.019 0.000 1.171 303 G CA 1.014 46.148 45.100 0.057 0.000 0.775 303 G HN 0.362 nan 8.290 nan 0.000 0.543 304 A N 0.609 123.479 122.820 0.084 0.000 1.933 304 A HA -0.027 4.293 4.320 0.001 0.000 0.218 304 A C 2.173 179.758 177.584 0.002 0.000 1.175 304 A CA 1.948 54.024 52.037 0.066 0.000 0.628 304 A CB -0.372 18.697 19.000 0.116 0.000 0.814 304 A HN 0.470 nan 8.150 nan 0.000 0.444 305 E N -0.208 119.999 120.200 0.011 0.000 2.047 305 E HA -0.175 4.175 4.350 0.001 0.000 0.191 305 E C 2.077 178.675 176.600 -0.003 0.000 0.987 305 E CA 1.264 57.669 56.400 0.009 0.000 0.799 305 E CB -0.143 29.565 29.700 0.014 0.000 0.752 305 E HN 0.575 nan 8.360 nan 0.000 0.449 306 K N 0.413 120.801 120.400 -0.019 0.000 2.057 306 K HA -0.115 4.206 4.320 0.001 0.000 0.207 306 K C 2.194 178.796 176.600 0.004 0.000 1.049 306 K CA 1.093 57.371 56.287 -0.015 0.000 0.931 306 K CB -0.124 32.350 32.500 -0.042 0.000 0.714 306 K HN 0.028 nan 8.250 nan 0.000 0.440 307 A N 1.738 124.493 122.820 -0.108 0.000 1.855 307 A HA -0.190 4.130 4.320 0.001 0.000 0.215 307 A C 1.885 179.509 177.584 0.067 0.000 1.191 307 A CA 1.648 53.614 52.037 -0.119 0.000 0.613 307 A CB -0.865 17.555 19.000 -0.966 0.000 0.829 307 A HN 0.370 nan 8.150 nan 0.000 0.442 308 N N -1.153 117.551 118.700 0.007 0.000 2.192 308 N HA -0.194 4.546 4.740 0.001 0.000 0.188 308 N C 2.101 177.626 175.510 0.025 0.000 1.013 308 N CA 0.937 54.012 53.050 0.042 0.000 0.863 308 N CB -0.086 38.424 38.487 0.038 0.000 0.990 308 N HN 0.397 nan 8.380 nan 0.000 0.430 309 R N 0.229 120.747 120.500 0.029 0.000 2.066 309 R HA -0.067 4.273 4.340 0.001 0.000 0.232 309 R C 2.077 178.386 176.300 0.015 0.000 1.131 309 R CA 1.033 57.145 56.100 0.020 0.000 0.955 309 R CB -0.297 30.018 30.300 0.025 0.000 0.851 309 R HN 0.123 nan 8.270 nan 0.000 0.432 310 V N 0.733 120.683 119.914 0.060 0.000 2.307 310 V HA -0.200 3.920 4.120 0.001 0.000 0.245 310 V C 2.470 178.493 176.094 -0.118 0.000 1.045 310 V CA 1.908 64.231 62.300 0.037 0.000 1.024 310 V CB -0.737 31.210 31.823 0.206 0.000 0.651 310 V HN 0.400 nan 8.190 nan 0.000 0.449 311 A N -0.666 122.042 122.820 -0.186 0.000 1.902 311 A HA -0.222 4.098 4.320 0.001 0.000 0.217 311 A C 2.510 179.963 177.584 -0.219 0.000 1.181 311 A CA 2.234 54.041 52.037 -0.384 0.000 0.623 311 A CB -0.823 17.943 19.000 -0.390 0.000 0.818 311 A HN 0.458 nan 8.150 nan 0.000 0.443 312 S N -0.740 114.894 115.700 -0.111 0.000 2.374 312 S HA -0.202 4.269 4.470 0.001 0.000 0.227 312 S C 2.065 176.610 174.600 -0.092 0.000 1.037 312 S CA 1.797 59.950 58.200 -0.077 0.000 1.024 312 S CB -0.280 62.897 63.200 -0.037 0.000 0.861 312 S HN 0.706 nan 8.310 nan 0.000 0.456 313 E N 1.053 121.196 120.200 -0.095 0.000 2.077 313 E HA -0.137 4.214 4.350 0.001 0.000 0.193 313 E C 1.939 178.456 176.600 -0.138 0.000 0.989 313 E CA 1.220 57.563 56.400 -0.096 0.000 0.800 313 E CB -0.399 29.253 29.700 -0.080 0.000 0.746 313 E HN 0.371 nan 8.360 nan 0.000 0.452 314 M N -0.372 119.112 119.600 -0.193 0.000 2.086 314 M HA -0.090 4.390 4.480 0.001 0.000 0.261 314 M C 2.036 178.199 176.300 -0.229 0.000 1.067 314 M CA 1.361 56.507 55.300 -0.257 0.000 1.116 314 M CB -0.606 31.794 32.600 -0.333 0.000 1.348 314 M HN 0.091 nan 8.290 nan 0.000 0.407 315 V N 0.382 120.182 119.914 -0.189 0.000 2.332 315 V HA -0.296 3.824 4.120 0.001 0.000 0.248 315 V C 2.662 178.696 176.094 -0.100 0.000 1.055 315 V CA 2.109 64.328 62.300 -0.136 0.000 1.038 315 V CB -0.840 30.921 31.823 -0.103 0.000 0.651 315 V HN 0.507 nan 8.190 nan 0.000 0.450 316 R N -0.276 120.168 120.500 -0.093 0.000 2.115 316 R HA -0.137 4.203 4.340 0.001 0.000 0.230 316 R C 2.352 178.610 176.300 -0.071 0.000 1.111 316 R CA 1.344 57.404 56.100 -0.067 0.000 0.976 316 R CB -0.084 30.181 30.300 -0.058 0.000 0.870 316 R HN 0.501 nan 8.270 nan 0.000 0.445 317 K N -0.367 119.972 120.400 -0.103 0.000 2.116 317 K HA -0.019 4.302 4.320 0.001 0.000 0.203 317 K C 2.155 178.709 176.600 -0.077 0.000 1.052 317 K CA 1.094 57.322 56.287 -0.100 0.000 0.952 317 K CB 0.023 32.433 32.500 -0.149 0.000 0.729 317 K HN 0.132 nan 8.250 nan 0.000 0.446 318 M N 0.714 120.249 119.600 -0.109 0.000 2.086 318 M HA -0.186 4.295 4.480 0.001 0.000 0.261 318 M C 1.874 178.177 176.300 0.005 0.000 1.067 318 M CA 1.693 56.977 55.300 -0.027 0.000 1.116 318 M CB -0.192 32.335 32.600 -0.120 0.000 1.348 318 M HN 0.128 nan 8.290 nan 0.000 0.407 319 E N -0.087 120.097 120.200 -0.027 0.000 2.077 319 E HA -0.282 4.068 4.350 0.001 0.000 0.193 319 E C 1.975 178.557 176.600 -0.030 0.000 0.989 319 E CA 1.418 57.805 56.400 -0.020 0.000 0.800 319 E CB -0.189 29.504 29.700 -0.013 0.000 0.746 319 E HN 0.415 nan 8.360 nan 0.000 0.452 320 Q N 0.942 120.725 119.800 -0.029 0.000 2.096 320 Q HA -0.167 4.173 4.340 0.001 0.000 0.204 320 Q C 1.912 177.897 176.000 -0.024 0.000 0.982 320 Q CA 1.987 57.777 55.803 -0.022 0.000 0.850 320 Q CB -0.251 28.474 28.738 -0.021 0.000 0.901 320 Q HN 0.235 nan 8.270 nan 0.000 0.422 321 A N -0.278 122.515 122.820 -0.045 0.000 1.968 321 A HA -0.052 4.269 4.320 0.001 0.000 0.217 321 A C 1.990 179.433 177.584 -0.234 0.000 1.169 321 A CA 1.431 53.418 52.037 -0.084 0.000 0.638 321 A CB -0.345 18.605 19.000 -0.083 0.000 0.812 321 A HN 0.512 nan 8.150 nan 0.000 0.446 322 M N -2.122 117.289 119.600 -0.315 0.000 2.435 322 M HA 0.172 4.653 4.480 0.001 0.000 0.265 322 M C 1.379 177.661 176.300 -0.030 0.000 1.104 322 M CA 1.008 56.145 55.300 -0.271 0.000 1.140 322 M CB 0.338 32.785 32.600 -0.254 0.000 1.372 322 M HN 0.625 nan 8.290 nan 0.000 0.456 323 G N 1.459 110.247 108.800 -0.020 0.000 2.138 323 G HA2 -0.153 3.807 3.960 0.001 0.000 0.193 323 G HA3 -0.153 3.807 3.960 0.001 0.000 0.193 323 G C -0.129 174.779 174.900 0.014 0.000 0.998 323 G CA -0.561 44.546 45.100 0.011 0.000 0.668 323 G HN 0.299 nan 8.290 nan 0.000 0.516 324 L N 0.563 121.791 121.223 0.009 0.000 2.417 324 L HA 0.524 4.865 4.340 0.001 0.000 0.268 324 L C 1.784 178.663 176.870 0.014 0.000 1.158 324 L CA 0.767 55.621 54.840 0.022 0.000 0.819 324 L CB 0.736 42.816 42.059 0.034 0.000 1.112 324 L HN 0.950 nan 8.230 nan 0.000 0.458 325 G N 3.398 112.208 108.800 0.017 0.000 2.574 325 G HA2 -0.283 3.678 3.960 0.001 0.000 0.282 325 G HA3 -0.283 3.678 3.960 0.001 0.000 0.282 325 G C -0.077 174.826 174.900 0.006 0.000 1.257 325 G CA 0.048 45.154 45.100 0.010 0.000 0.956 325 G HN 0.674 nan 8.290 nan 0.000 0.560 326 R N 0.000 120.501 120.500 0.002 0.000 2.786 326 R HA 0.000 4.340 4.340 0.001 0.000 0.208 326 R CA 0.000 56.100 56.100 0.001 0.000 0.921 326 R CB 0.000 30.300 30.300 0.000 0.000 0.687 326 R HN 0.000 nan 8.270 nan 0.000 0.535