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 2xfw_1_B DATA FIRST_RESID -1 DATA SEQUENCE HHHATNLRGV MAALLTPFDQ QQALDKASLR RLVQFNIQQG IDGLYVGGST DATA SEQUENCE GEAFVQSLSE REQVLEIVAE EAKGKIKLIA HVGCVSTAES QQLAASAKRY DATA SEQUENCE GFDAVSAVTP FYYPFSFEEH CDHYRAIIDS ADGLPMVVYN IPALSGVKLT DATA SEQUENCE LDQINTLVTL PGVGALXQTS GDLYQMEQIR REHPDLVLYN GYDNIFASGL DATA SEQUENCE LAGADGGIGS TYNIMGWRYQ GIVKALKEGD IQTAQKLQTE CNKVIDLLIK DATA SEQUENCE TGVFRGLKTV LHYMDVVSVP LCRKPFGPVD EKYLPELKAL AQQLMQER 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 H HA 0.000 nan 4.556 nan 0.000 0.296 -1 H C 0.000 175.457 175.328 0.214 0.000 0.993 -1 H CA 0.000 56.148 56.048 0.166 0.000 1.023 -1 H CB 0.000 29.830 29.762 0.113 0.000 1.292 0 H N 1.672 120.856 119.070 0.190 0.000 2.456 0 H HA -0.113 4.451 4.556 0.013 0.000 0.296 0 H C 1.691 177.082 175.328 0.104 0.000 1.079 0 H CA 1.881 57.999 56.048 0.116 0.000 1.322 0 H CB -0.594 29.218 29.762 0.084 0.000 1.388 0 H HN 0.510 nan 8.280 nan 0.000 0.538 1 H N 1.163 120.045 119.070 -0.314 0.000 2.462 1 H HA 0.196 4.760 4.556 0.013 0.000 0.292 1 H C 1.585 176.875 175.328 -0.063 0.000 1.049 1 H CA 1.173 57.066 56.048 -0.259 0.000 1.334 1 H CB 0.009 29.629 29.762 -0.235 0.000 1.404 1 H HN 0.513 nan 8.280 nan 0.000 0.544 2 A N -0.100 122.813 122.820 0.155 0.000 2.251 2 A HA -0.012 4.316 4.320 0.013 0.000 0.209 2 A C 2.324 179.945 177.584 0.063 0.000 1.187 2 A CA 0.848 52.962 52.037 0.130 0.000 0.823 2 A CB -0.750 18.337 19.000 0.144 0.000 0.846 2 A HN 0.426 nan 8.150 nan 0.000 0.486 3 T N 2.158 116.730 114.554 0.030 0.000 2.792 3 T HA -0.242 4.116 4.350 0.013 0.000 0.268 3 T C 1.908 176.614 174.700 0.009 0.000 1.059 3 T CA 2.024 64.131 62.100 0.012 0.000 1.136 3 T CB -0.771 68.098 68.868 0.002 0.000 0.846 3 T HN 0.843 nan 8.240 nan 0.000 0.489 4 N N 1.052 119.755 118.700 0.004 0.000 2.443 4 N HA -0.090 4.658 4.740 0.013 0.000 0.184 4 N C 1.712 177.260 175.510 0.063 0.000 1.037 4 N CA 0.937 53.999 53.050 0.020 0.000 0.896 4 N CB -0.619 37.872 38.487 0.008 0.000 0.959 4 N HN 0.475 nan 8.380 nan 0.000 0.442 5 L N -0.246 121.029 121.223 0.086 0.000 2.558 5 L HA 0.161 4.509 4.340 0.013 0.000 0.225 5 L C 1.350 178.321 176.870 0.170 0.000 1.128 5 L CA -0.298 54.636 54.840 0.157 0.000 0.868 5 L CB -0.181 41.996 42.059 0.197 0.000 1.006 5 L HN 0.058 nan 8.230 nan 0.000 0.454 6 R N 0.918 121.459 120.500 0.067 0.000 2.570 6 R HA 0.375 4.723 4.340 0.013 0.000 0.277 6 R C 0.224 176.605 176.300 0.134 0.000 1.039 6 R CA 0.984 57.103 56.100 0.033 0.000 1.065 6 R CB 0.421 30.719 30.300 -0.004 0.000 0.964 6 R HN 0.198 nan 8.270 nan 0.000 0.428 7 G N 1.132 110.052 108.800 0.199 0.000 2.339 7 G HA2 0.021 3.989 3.960 0.013 0.000 0.275 7 G HA3 0.021 3.989 3.960 0.013 0.000 0.275 7 G C -1.763 173.318 174.900 0.302 0.000 1.323 7 G CA -0.637 44.592 45.100 0.214 0.000 0.927 7 G HN 0.503 nan 8.290 nan 0.000 0.486 8 V N 2.021 122.068 119.914 0.221 0.000 2.334 8 V HA 0.639 4.767 4.120 0.013 0.000 0.281 8 V C 0.184 176.394 176.094 0.193 0.000 1.016 8 V CA -0.238 62.184 62.300 0.203 0.000 0.832 8 V CB 1.012 32.852 31.823 0.028 0.000 0.999 8 V HN 0.605 nan 8.190 nan 0.000 0.439 9 M N 4.258 124.004 119.600 0.245 0.000 2.253 9 M HA 0.634 5.122 4.480 0.013 0.000 0.314 9 M C -0.037 176.327 176.300 0.106 0.000 1.019 9 M CA -0.504 54.871 55.300 0.124 0.000 0.932 9 M CB 2.000 34.587 32.600 -0.022 0.000 1.606 9 M HN 0.556 nan 8.290 nan 0.000 0.430 10 A N 2.631 125.520 122.820 0.116 0.000 2.450 10 A HA 0.632 4.960 4.320 0.013 0.000 0.255 10 A C 0.475 177.998 177.584 -0.101 0.000 1.096 10 A CA -0.423 51.612 52.037 -0.004 0.000 0.778 10 A CB 0.198 19.247 19.000 0.081 0.000 1.031 10 A HN 0.944 nan 8.150 nan 0.000 0.494 11 A N 3.120 125.794 122.820 -0.243 0.000 2.539 11 A HA 0.466 4.794 4.320 0.013 0.000 0.306 11 A C 0.093 177.599 177.584 -0.129 0.000 1.392 11 A CA -0.346 51.600 52.037 -0.152 0.000 1.060 11 A CB -0.586 18.253 19.000 -0.268 0.000 1.134 11 A HN 1.083 nan 8.150 nan 0.000 0.542 12 L N 3.329 124.508 121.223 -0.074 0.000 2.499 12 L HA 0.251 4.599 4.340 0.013 0.000 0.273 12 L C 0.022 176.793 176.870 -0.164 0.000 1.195 12 L CA 0.425 55.212 54.840 -0.089 0.000 0.882 12 L CB 0.196 42.222 42.059 -0.055 0.000 1.133 12 L HN 0.608 nan 8.230 nan 0.000 0.483 13 L N 3.911 125.027 121.223 -0.179 0.000 2.453 13 L HA 0.335 4.683 4.340 0.013 0.000 0.261 13 L C 0.440 177.150 176.870 -0.267 0.000 1.179 13 L CA -0.204 54.484 54.840 -0.254 0.000 0.813 13 L CB 0.640 42.568 42.059 -0.219 0.000 1.110 13 L HN 0.579 nan 8.230 nan 0.000 0.466 14 T N 2.474 116.808 114.554 -0.367 0.000 2.801 14 T HA 0.337 4.695 4.350 0.013 0.000 0.306 14 T C -2.447 171.770 174.700 -0.805 0.000 1.020 14 T CA -1.250 60.545 62.100 -0.507 0.000 0.948 14 T CB 1.013 69.582 68.868 -0.499 0.000 0.962 14 T HN 0.249 nan 8.240 nan 0.000 0.465 15 P HA 0.401 nan 4.420 nan 0.000 0.275 15 P C -0.868 176.075 177.300 -0.595 0.000 1.227 15 P CA -0.374 62.442 63.100 -0.473 0.000 0.781 15 P CB 0.411 31.970 31.700 -0.234 0.000 0.906 16 F N 0.782 120.710 119.950 -0.037 0.000 2.579 16 F HA 0.362 4.895 4.527 0.010 0.000 0.324 16 F C 0.866 176.651 175.800 -0.026 0.000 1.058 16 F CA -0.664 57.321 58.000 -0.025 0.000 0.944 16 F CB 0.853 39.845 39.000 -0.014 0.000 1.245 16 F HN 0.268 nan 8.300 nan 0.000 0.477 17 D N -0.193 120.324 120.400 0.194 0.000 2.506 17 D HA 0.167 4.816 4.640 0.013 0.000 0.272 17 D C 0.866 177.211 176.300 0.076 0.000 1.214 17 D CA -0.375 53.681 54.000 0.094 0.000 1.067 17 D CB 0.297 41.136 40.800 0.065 0.000 1.117 17 D HN 0.411 nan 8.370 nan 0.000 0.578 18 Q N -1.434 118.390 119.800 0.040 0.000 2.291 18 Q HA -0.124 4.224 4.340 0.013 0.000 0.206 18 Q C 1.247 177.257 176.000 0.017 0.000 0.976 18 Q CA 1.654 57.471 55.803 0.022 0.000 0.875 18 Q CB -0.128 28.618 28.738 0.013 0.000 0.927 18 Q HN 0.447 nan 8.270 nan 0.000 0.450 19 Q N -0.295 119.517 119.800 0.020 0.000 2.320 19 Q HA 0.159 4.507 4.340 0.013 0.000 0.201 19 Q C -0.390 175.603 176.000 -0.011 0.000 0.910 19 Q CA 0.194 56.001 55.803 0.006 0.000 0.946 19 Q CB 0.554 29.298 28.738 0.010 0.000 1.062 19 Q HN 0.288 nan 8.270 nan 0.000 0.503 20 Q N -2.354 117.443 119.800 -0.005 0.000 2.460 20 Q HA -0.232 4.116 4.340 0.013 0.000 0.248 20 Q C -0.266 175.688 176.000 -0.077 0.000 0.847 20 Q CA 0.736 56.483 55.803 -0.094 0.000 1.214 20 Q CB -2.209 26.414 28.738 -0.191 0.000 1.523 20 Q HN 0.421 nan 8.270 nan 0.000 0.602 21 A N 0.676 123.532 122.820 0.060 0.000 2.287 21 A HA 0.559 4.887 4.320 0.013 0.000 0.273 21 A C 0.236 177.989 177.584 0.282 0.000 1.091 21 A CA -0.432 51.677 52.037 0.120 0.000 0.817 21 A CB 0.436 19.478 19.000 0.070 0.000 1.069 21 A HN 0.279 nan 8.150 nan 0.000 0.492 22 L N 0.712 122.085 121.223 0.250 0.000 2.559 22 L HA 0.123 4.471 4.340 0.013 0.000 0.274 22 L C -0.088 176.826 176.870 0.073 0.000 1.205 22 L CA 0.392 55.332 54.840 0.166 0.000 0.907 22 L CB 0.127 42.231 42.059 0.075 0.000 1.153 22 L HN 0.630 nan 8.230 nan 0.000 0.490 23 D N 4.373 124.781 120.400 0.014 0.000 2.479 23 D HA 0.111 4.760 4.640 0.013 0.000 0.218 23 D C 0.778 177.054 176.300 -0.040 0.000 1.131 23 D CA -0.078 53.917 54.000 -0.009 0.000 0.916 23 D CB 0.598 41.388 40.800 -0.017 0.000 1.022 23 D HN 0.623 nan 8.370 nan 0.000 0.515 24 K N 1.863 122.248 120.400 -0.025 0.000 2.057 24 K HA -0.121 4.207 4.320 0.013 0.000 0.207 24 K C 1.859 178.438 176.600 -0.035 0.000 1.049 24 K CA 1.214 57.481 56.287 -0.035 0.000 0.931 24 K CB 0.060 32.545 32.500 -0.024 0.000 0.714 24 K HN 0.380 nan 8.250 nan 0.000 0.440 25 A N 1.206 124.011 122.820 -0.025 0.000 1.902 25 A HA -0.160 4.168 4.320 0.013 0.000 0.217 25 A C 2.231 179.797 177.584 -0.030 0.000 1.181 25 A CA 1.878 53.901 52.037 -0.022 0.000 0.623 25 A CB -0.477 18.514 19.000 -0.014 0.000 0.818 25 A HN 0.171 nan 8.150 nan 0.000 0.443 26 S N -0.763 114.913 115.700 -0.041 0.000 2.387 26 S HA -0.067 4.411 4.470 0.013 0.000 0.226 26 S C 1.825 176.384 174.600 -0.068 0.000 1.026 26 S CA 1.116 59.282 58.200 -0.055 0.000 0.972 26 S CB -0.344 62.818 63.200 -0.064 0.000 0.814 26 S HN 0.502 nan 8.310 nan 0.000 0.477 27 L N 2.358 123.534 121.223 -0.078 0.000 2.012 27 L HA -0.066 4.282 4.340 0.013 0.000 0.210 27 L C 2.184 179.025 176.870 -0.048 0.000 1.073 27 L CA 1.762 56.553 54.840 -0.081 0.000 0.748 27 L CB -0.464 41.539 42.059 -0.094 0.000 0.891 27 L HN 0.119 nan 8.230 nan 0.000 0.431 28 R N -0.816 119.662 120.500 -0.038 0.000 2.083 28 R HA -0.135 4.213 4.340 0.013 0.000 0.237 28 R C 2.386 178.685 176.300 -0.001 0.000 1.137 28 R CA 1.755 57.842 56.100 -0.021 0.000 0.951 28 R CB -0.415 29.873 30.300 -0.021 0.000 0.851 28 R HN 0.397 nan 8.270 nan 0.000 0.434 29 R N 0.342 120.840 120.500 -0.003 0.000 2.096 29 R HA -0.132 4.216 4.340 0.013 0.000 0.235 29 R C 2.280 178.614 176.300 0.056 0.000 1.127 29 R CA 1.061 57.174 56.100 0.020 0.000 0.968 29 R CB -0.420 29.875 30.300 -0.009 0.000 0.861 29 R HN 0.121 nan 8.270 nan 0.000 0.440 30 L N 0.675 121.908 121.223 0.018 0.000 2.093 30 L HA -0.119 4.229 4.340 0.013 0.000 0.208 30 L C 2.049 178.983 176.870 0.107 0.000 1.085 30 L CA 1.459 56.330 54.840 0.051 0.000 0.755 30 L CB -0.245 41.801 42.059 -0.022 0.000 0.904 30 L HN -0.108 nan 8.230 nan 0.000 0.435 31 V N -0.466 119.478 119.914 0.050 0.000 2.295 31 V HA -0.282 3.846 4.120 0.013 0.000 0.246 31 V C 2.664 178.797 176.094 0.064 0.000 1.049 31 V CA 1.718 64.042 62.300 0.041 0.000 1.024 31 V CB -0.667 31.157 31.823 0.001 0.000 0.648 31 V HN 0.502 nan 8.190 nan 0.000 0.447 32 Q N -1.076 118.767 119.800 0.072 0.000 2.119 32 Q HA -0.169 4.179 4.340 0.013 0.000 0.201 32 Q C 2.076 178.142 176.000 0.110 0.000 0.972 32 Q CA 1.657 57.502 55.803 0.070 0.000 0.847 32 Q CB -0.647 28.127 28.738 0.059 0.000 0.903 32 Q HN 0.647 nan 8.270 nan 0.000 0.433 33 F N 2.415 122.373 119.950 0.014 0.000 2.095 33 F HA -0.224 4.311 4.527 0.013 0.000 0.298 33 F C 1.906 177.741 175.800 0.059 0.000 1.104 33 F CA 1.352 59.374 58.000 0.036 0.000 1.232 33 F CB -0.209 38.815 39.000 0.040 0.000 0.987 33 F HN 0.119 nan 8.300 nan 0.000 0.475 34 N N 0.711 119.501 118.700 0.151 0.000 2.120 34 N HA -0.186 4.562 4.740 0.013 0.000 0.188 34 N C 2.120 177.633 175.510 0.006 0.000 1.024 34 N CA 1.889 54.982 53.050 0.071 0.000 0.852 34 N CB -0.398 38.153 38.487 0.108 0.000 1.003 34 N HN 0.356 nan 8.380 nan 0.000 0.424 35 I N 1.677 122.252 120.570 0.008 0.000 2.208 35 I HA -0.287 3.891 4.170 0.013 0.000 0.245 35 I C 2.209 178.304 176.117 -0.037 0.000 1.097 35 I CA 1.221 62.516 61.300 -0.008 0.000 1.363 35 I CB -0.221 37.776 38.000 -0.006 0.000 1.051 35 I HN 0.157 nan 8.210 nan 0.000 0.413 36 Q N 0.131 119.887 119.800 -0.073 0.000 2.224 36 Q HA -0.231 4.117 4.340 0.013 0.000 0.203 36 Q C 2.028 177.943 176.000 -0.142 0.000 0.970 36 Q CA 1.081 56.816 55.803 -0.113 0.000 0.865 36 Q CB -0.090 28.561 28.738 -0.144 0.000 0.922 36 Q HN 0.583 nan 8.270 nan 0.000 0.445 37 Q N -0.775 118.937 119.800 -0.145 0.000 2.436 37 Q HA -0.004 4.344 4.340 0.013 0.000 0.209 37 Q C 0.761 176.780 176.000 0.031 0.000 0.965 37 Q CA 0.585 56.362 55.803 -0.043 0.000 0.910 37 Q CB 0.375 29.159 28.738 0.077 0.000 0.980 37 Q HN 0.545 nan 8.270 nan 0.000 0.491 38 G N 1.248 110.049 108.800 0.002 0.000 2.132 38 G HA2 -0.256 3.712 3.960 0.013 0.000 0.228 38 G HA3 -0.256 3.712 3.960 0.013 0.000 0.228 38 G C -0.040 174.882 174.900 0.037 0.000 1.000 38 G CA -0.271 44.840 45.100 0.018 0.000 0.693 38 G HN 0.274 nan 8.290 nan 0.000 0.515 39 I N 1.034 121.628 120.570 0.040 0.000 2.813 39 I HA 0.205 4.383 4.170 0.013 0.000 0.287 39 I C 1.303 177.450 176.117 0.050 0.000 1.196 39 I CA 0.052 61.383 61.300 0.051 0.000 1.421 39 I CB 0.643 38.683 38.000 0.066 0.000 1.365 39 I HN 0.161 nan 8.210 nan 0.000 0.591 40 D N 4.603 125.042 120.400 0.065 0.000 2.234 40 D HA 0.149 4.798 4.640 0.013 0.000 0.205 40 D C 0.604 176.943 176.300 0.065 0.000 0.962 40 D CA 1.056 55.097 54.000 0.069 0.000 0.855 40 D CB 0.228 41.085 40.800 0.095 0.000 0.951 40 D HN 0.676 nan 8.370 nan 0.000 0.500 41 G N -0.803 108.038 108.800 0.068 0.000 2.441 41 G HA2 0.503 4.472 3.960 0.013 0.000 0.294 41 G HA3 0.503 4.472 3.960 0.013 0.000 0.294 41 G C -1.966 172.968 174.900 0.056 0.000 1.393 41 G CA -0.795 44.339 45.100 0.055 0.000 0.796 41 G HN 0.026 nan 8.290 nan 0.000 0.494 42 L N 0.020 121.272 121.223 0.049 0.000 2.386 42 L HA 0.519 4.867 4.340 0.013 0.000 0.271 42 L C -1.473 175.459 176.870 0.102 0.000 0.993 42 L CA -0.967 53.908 54.840 0.058 0.000 0.819 42 L CB 2.638 44.716 42.059 0.033 0.000 1.294 42 L HN 0.652 nan 8.230 nan 0.000 0.414 43 Y N 3.246 123.504 120.300 -0.070 0.000 2.356 43 Y HA 0.573 5.132 4.550 0.016 0.000 0.334 43 Y C -0.819 175.041 175.900 -0.066 0.000 0.958 43 Y CA -0.611 57.434 58.100 -0.091 0.000 1.196 43 Y CB 1.243 39.565 38.460 -0.231 0.000 1.137 43 Y HN 0.207 nan 8.280 nan 0.000 0.485 44 V N 5.406 125.198 119.914 -0.203 0.000 2.459 44 V HA 0.566 4.694 4.120 0.013 0.000 0.295 44 V C 0.630 176.603 176.094 -0.201 0.000 1.029 44 V CA -0.251 61.984 62.300 -0.107 0.000 0.874 44 V CB 1.181 33.049 31.823 0.076 0.000 0.985 44 V HN 1.025 nan 8.190 nan 0.000 0.438 45 G N 3.398 112.110 108.800 -0.146 0.000 2.198 45 G HA2 -0.129 3.839 3.960 0.013 0.000 0.257 45 G HA3 -0.129 3.839 3.960 0.013 0.000 0.257 45 G C 0.474 175.328 174.900 -0.078 0.000 1.042 45 G CA 0.151 45.177 45.100 -0.124 0.000 0.791 45 G HN 1.319 nan 8.290 nan 0.000 0.502 46 G N -0.672 108.042 108.800 -0.144 0.000 2.508 46 G HA2 0.555 4.523 3.960 0.013 0.000 0.278 46 G HA3 0.555 4.523 3.960 0.013 0.000 0.278 46 G C 1.333 176.111 174.900 -0.202 0.000 1.389 46 G CA 0.860 45.853 45.100 -0.178 0.000 1.050 46 G HN 0.634 nan 8.290 nan 0.000 0.522 47 S N -0.713 114.973 115.700 -0.023 0.000 2.359 47 S HA -0.178 4.300 4.470 0.013 0.000 0.223 47 S C 2.564 177.090 174.600 -0.125 0.000 1.039 47 S CA 2.094 60.377 58.200 0.138 0.000 1.042 47 S CB -0.589 62.834 63.200 0.370 0.000 0.915 47 S HN 0.631 nan 8.310 nan 0.000 0.439 48 T N 1.328 115.695 114.554 -0.312 0.000 2.803 48 T HA -0.056 4.302 4.350 0.013 0.000 0.269 48 T C 1.824 176.061 174.700 -0.771 0.000 1.052 48 T CA 1.267 62.840 62.100 -0.880 0.000 1.136 48 T CB -0.607 67.986 68.868 -0.459 0.000 0.864 48 T HN 0.560 nan 8.240 nan 0.000 0.467 49 G N 0.409 108.964 108.800 -0.407 0.000 2.848 49 G HA2 0.062 4.030 3.960 0.013 0.000 0.208 49 G HA3 0.062 4.030 3.960 0.013 0.000 0.208 49 G C 0.230 174.998 174.900 -0.219 0.000 1.152 49 G CA 0.005 44.925 45.100 -0.300 0.000 0.789 49 G HN 0.609 nan 8.290 nan 0.000 0.531 50 E N -1.671 118.402 120.200 -0.212 0.000 2.513 50 E HA -0.298 4.060 4.350 0.013 0.000 0.257 50 E C 1.740 178.334 176.600 -0.010 0.000 1.098 50 E CA 0.045 56.463 56.400 0.031 0.000 0.752 50 E CB -1.462 28.371 29.700 0.222 0.000 1.324 50 E HN 0.512 nan 8.360 nan 0.000 0.403 51 A N -0.048 122.617 122.820 -0.258 0.000 1.917 51 A HA -0.187 4.141 4.320 0.013 0.000 0.219 51 A C 1.471 178.906 177.584 -0.248 0.000 1.182 51 A CA 1.826 53.639 52.037 -0.373 0.000 0.633 51 A CB -0.461 18.105 19.000 -0.723 0.000 0.819 51 A HN 0.324 nan 8.150 nan 0.000 0.448 52 F N -0.588 119.492 119.950 0.216 0.000 2.811 52 F HA 0.128 4.657 4.527 0.005 0.000 0.301 52 F C 1.567 177.464 175.800 0.162 0.000 1.151 52 F CA 0.602 58.733 58.000 0.218 0.000 1.412 52 F CB -0.189 38.965 39.000 0.256 0.000 1.113 52 F HN 0.146 nan 8.300 nan 0.000 0.579 53 V N -3.064 116.989 119.914 0.232 0.000 3.176 53 V HA 0.336 4.464 4.120 0.013 0.000 0.332 53 V C 0.076 176.229 176.094 0.099 0.000 1.414 53 V CA -0.278 62.115 62.300 0.155 0.000 1.133 53 V CB -0.756 31.157 31.823 0.150 0.000 1.088 53 V HN 0.137 nan 8.190 nan 0.000 0.473 54 Q N 1.309 121.173 119.800 0.107 0.000 2.348 54 Q HA 0.636 4.984 4.340 0.013 0.000 0.271 54 Q C 0.152 176.195 176.000 0.073 0.000 1.067 54 Q CA -0.281 55.573 55.803 0.086 0.000 0.839 54 Q CB 2.410 31.205 28.738 0.095 0.000 1.354 54 Q HN 0.636 nan 8.270 nan 0.000 0.447 55 S N 0.518 116.251 115.700 0.056 0.000 2.624 55 S HA 0.217 4.695 4.470 0.013 0.000 0.263 55 S C 1.183 175.807 174.600 0.039 0.000 1.287 55 S CA -0.557 57.670 58.200 0.046 0.000 0.990 55 S CB 0.395 63.615 63.200 0.034 0.000 0.950 55 S HN 0.665 nan 8.310 nan 0.000 0.561 56 L N 1.065 122.307 121.223 0.031 0.000 2.042 56 L HA -0.103 4.245 4.340 0.013 0.000 0.210 56 L C 3.093 179.975 176.870 0.020 0.000 1.076 56 L CA 1.675 56.526 54.840 0.018 0.000 0.749 56 L CB -1.037 41.026 42.059 0.008 0.000 0.893 56 L HN 0.916 nan 8.230 nan 0.000 0.432 57 S N -0.176 115.539 115.700 0.025 0.000 2.368 57 S HA -0.214 4.264 4.470 0.013 0.000 0.225 57 S C 1.839 176.459 174.600 0.034 0.000 1.030 57 S CA 1.568 59.786 58.200 0.031 0.000 0.999 57 S CB -0.109 63.108 63.200 0.027 0.000 0.844 57 S HN 0.448 nan 8.310 nan 0.000 0.459 58 E N 0.347 120.569 120.200 0.036 0.000 2.077 58 E HA -0.127 4.231 4.350 0.013 0.000 0.193 58 E C 2.504 179.122 176.600 0.030 0.000 0.989 58 E CA 1.062 57.489 56.400 0.044 0.000 0.800 58 E CB -0.123 29.618 29.700 0.068 0.000 0.746 58 E HN 0.482 nan 8.360 nan 0.000 0.452 59 R N 0.807 121.319 120.500 0.021 0.000 2.081 59 R HA -0.140 4.208 4.340 0.013 0.000 0.235 59 R C 2.223 178.521 176.300 -0.003 0.000 1.131 59 R CA 1.324 57.420 56.100 -0.006 0.000 0.960 59 R CB -0.135 30.151 30.300 -0.024 0.000 0.856 59 R HN 0.219 nan 8.270 nan 0.000 0.436 60 E N 0.515 120.735 120.200 0.033 0.000 2.077 60 E HA -0.261 4.097 4.350 0.013 0.000 0.193 60 E C 2.077 178.696 176.600 0.031 0.000 0.989 60 E CA 1.083 57.549 56.400 0.110 0.000 0.800 60 E CB -0.016 29.776 29.700 0.153 0.000 0.746 60 E HN 0.336 nan 8.360 nan 0.000 0.452 61 Q N 0.749 120.549 119.800 -0.000 0.000 2.096 61 Q HA -0.185 4.163 4.340 0.013 0.000 0.204 61 Q C 2.212 178.161 176.000 -0.085 0.000 0.982 61 Q CA 1.596 57.370 55.803 -0.048 0.000 0.850 61 Q CB 0.087 28.817 28.738 -0.013 0.000 0.901 61 Q HN 0.134 nan 8.270 nan 0.000 0.422 62 V N 1.058 120.939 119.914 -0.054 0.000 2.261 62 V HA -0.296 3.832 4.120 0.013 0.000 0.246 62 V C 2.404 178.472 176.094 -0.044 0.000 1.047 62 V CA 1.720 63.986 62.300 -0.057 0.000 1.015 62 V CB -0.614 31.177 31.823 -0.054 0.000 0.642 62 V HN 0.410 nan 8.190 nan 0.000 0.446 63 L N -0.144 121.061 121.223 -0.030 0.000 1.990 63 L HA -0.284 4.065 4.340 0.013 0.000 0.213 63 L C 2.628 179.481 176.870 -0.029 0.000 1.072 63 L CA 2.360 57.246 54.840 0.077 0.000 0.755 63 L CB -0.686 41.382 42.059 0.015 0.000 0.889 63 L HN 0.452 nan 8.230 nan 0.000 0.432 64 E N 0.682 120.549 120.200 -0.555 0.000 2.058 64 E HA -0.253 4.105 4.350 0.013 0.000 0.194 64 E C 2.267 178.679 176.600 -0.313 0.000 0.997 64 E CA 1.543 57.440 56.400 -0.838 0.000 0.801 64 E CB -0.083 29.085 29.700 -0.886 0.000 0.746 64 E HN 0.455 nan 8.360 nan 0.000 0.450 65 I N 0.276 120.730 120.570 -0.194 0.000 2.252 65 I HA -0.243 3.935 4.170 0.013 0.000 0.245 65 I C 2.353 178.419 176.117 -0.085 0.000 1.102 65 I CA 0.624 61.855 61.300 -0.114 0.000 1.385 65 I CB -0.110 37.839 38.000 -0.085 0.000 1.064 65 I HN 0.079 nan 8.210 nan 0.000 0.414 66 V N 1.068 120.949 119.914 -0.055 0.000 2.343 66 V HA -0.292 3.836 4.120 0.013 0.000 0.247 66 V C 2.729 178.747 176.094 -0.127 0.000 1.051 66 V CA 1.970 64.239 62.300 -0.051 0.000 1.036 66 V CB -1.062 30.772 31.823 0.019 0.000 0.654 66 V HN 0.495 nan 8.190 nan 0.000 0.451 67 A N -0.399 122.326 122.820 -0.158 0.000 1.902 67 A HA -0.257 4.071 4.320 0.013 0.000 0.217 67 A C 2.170 179.676 177.584 -0.130 0.000 1.181 67 A CA 1.903 53.800 52.037 -0.233 0.000 0.623 67 A CB -0.498 18.415 19.000 -0.145 0.000 0.818 67 A HN 0.621 nan 8.150 nan 0.000 0.443 68 E N -0.491 119.650 120.200 -0.098 0.000 2.097 68 E HA -0.207 4.151 4.350 0.013 0.000 0.196 68 E C 1.943 178.506 176.600 -0.062 0.000 1.000 68 E CA 1.347 57.706 56.400 -0.069 0.000 0.804 68 E CB -0.099 29.562 29.700 -0.065 0.000 0.740 68 E HN 0.548 nan 8.360 nan 0.000 0.454 69 E N -0.687 119.473 120.200 -0.068 0.000 2.158 69 E HA -0.039 4.319 4.350 0.013 0.000 0.191 69 E C 1.374 177.940 176.600 -0.056 0.000 0.982 69 E CA 0.917 57.286 56.400 -0.052 0.000 0.823 69 E CB 0.406 30.079 29.700 -0.044 0.000 0.766 69 E HN 0.230 nan 8.360 nan 0.000 0.468 70 A N 0.460 123.229 122.820 -0.085 0.000 2.340 70 A HA 0.090 4.418 4.320 0.013 0.000 0.213 70 A C 1.025 178.544 177.584 -0.107 0.000 1.299 70 A CA -0.312 51.672 52.037 -0.088 0.000 0.994 70 A CB 0.227 19.168 19.000 -0.098 0.000 1.132 70 A HN -0.007 nan 8.150 nan 0.000 0.519 71 K N 0.540 120.861 120.400 -0.133 0.000 2.511 71 K HA 0.272 4.600 4.320 0.013 0.000 0.280 71 K C 1.194 177.748 176.600 -0.076 0.000 1.008 71 K CA 1.159 57.367 56.287 -0.132 0.000 1.050 71 K CB -0.131 32.296 32.500 -0.121 0.000 0.889 71 K HN 0.925 nan 8.250 nan 0.000 0.484 72 G N 3.681 112.443 108.800 -0.064 0.000 2.225 72 G HA2 -0.318 3.650 3.960 0.013 0.000 0.254 72 G HA3 -0.318 3.650 3.960 0.013 0.000 0.254 72 G C 0.756 175.639 174.900 -0.030 0.000 0.988 72 G CA 0.673 45.751 45.100 -0.037 0.000 0.625 72 G HN 0.712 nan 8.290 nan 0.000 0.527 73 K N -0.219 120.159 120.400 -0.037 0.000 2.244 73 K HA 0.470 4.798 4.320 0.013 0.000 0.200 73 K C 1.234 177.822 176.600 -0.019 0.000 1.052 73 K CA 1.242 57.513 56.287 -0.026 0.000 0.980 73 K CB 0.381 32.864 32.500 -0.028 0.000 0.838 73 K HN 0.749 nan 8.250 nan 0.000 0.481 74 I N -2.456 118.098 120.570 -0.027 0.000 3.191 74 I HA 0.400 4.578 4.170 0.013 0.000 0.313 74 I C -1.256 174.848 176.117 -0.020 0.000 1.193 74 I CA -1.505 59.788 61.300 -0.012 0.000 0.968 74 I CB 1.590 39.586 38.000 -0.005 0.000 1.262 74 I HN -0.355 nan 8.210 nan 0.000 0.456 75 K N 2.775 123.180 120.400 0.008 0.000 2.295 75 K HA 0.550 4.878 4.320 0.013 0.000 0.270 75 K C -0.950 175.649 176.600 -0.001 0.000 1.011 75 K CA -0.167 56.130 56.287 0.018 0.000 0.953 75 K CB 0.992 33.533 32.500 0.068 0.000 0.956 75 K HN 0.560 nan 8.250 nan 0.000 0.477 76 L N 4.188 125.398 121.223 -0.023 0.000 2.372 76 L HA 0.489 4.837 4.340 0.013 0.000 0.274 76 L C -0.278 176.719 176.870 0.212 0.000 0.988 76 L CA -0.562 54.250 54.840 -0.047 0.000 0.833 76 L CB 1.154 42.905 42.059 -0.513 0.000 1.236 76 L HN 0.398 nan 8.230 nan 0.000 0.410 77 I N 2.916 123.643 120.570 0.261 0.000 2.362 77 I HA 0.502 4.680 4.170 0.013 0.000 0.289 77 I C 0.264 176.435 176.117 0.089 0.000 0.994 77 I CA -0.462 60.969 61.300 0.217 0.000 1.158 77 I CB 2.020 40.117 38.000 0.162 0.000 1.315 77 I HN 0.616 nan 8.210 nan 0.000 0.451 78 A N 4.815 127.595 122.820 -0.066 0.000 2.252 78 A HA 0.314 4.642 4.320 0.013 0.000 0.309 78 A C -0.509 176.848 177.584 -0.379 0.000 1.285 78 A CA -0.314 51.461 52.037 -0.438 0.000 0.900 78 A CB -0.180 18.300 19.000 -0.868 0.000 1.157 78 A HN 0.782 nan 8.150 nan 0.000 0.536 79 H N 2.644 121.387 119.070 -0.545 0.000 2.934 79 H HA 0.338 4.901 4.556 0.013 0.000 0.273 79 H C 0.658 175.865 175.328 -0.201 0.000 1.121 79 H CA 0.410 56.221 56.048 -0.396 0.000 1.451 79 H CB 0.916 30.399 29.762 -0.465 0.000 1.469 79 H HN 0.463 nan 8.280 nan 0.000 0.476 80 V N 2.385 121.928 119.914 -0.618 0.000 3.578 80 V HA 0.459 4.587 4.120 0.013 0.000 0.290 80 V C 1.116 176.964 176.094 -0.410 0.000 1.376 80 V CA 0.131 62.177 62.300 -0.424 0.000 1.083 80 V CB -0.171 31.486 31.823 -0.276 0.000 0.911 80 V HN 0.765 nan 8.190 nan 0.000 0.433 81 G N -0.079 108.280 108.800 -0.735 0.000 2.365 81 G HA2 0.421 4.389 3.960 0.013 0.000 0.249 81 G HA3 0.421 4.389 3.960 0.013 0.000 0.249 81 G C -0.315 174.720 174.900 0.225 0.000 1.288 81 G CA 0.317 45.338 45.100 -0.132 0.000 0.887 81 G HN 0.524 nan 8.290 nan 0.000 0.524 82 C N 1.028 120.446 119.300 0.197 0.000 3.108 82 C HA 0.395 4.864 4.460 0.013 0.000 0.321 82 C C 1.804 176.794 174.990 0.000 0.000 1.357 82 C CA -0.569 58.563 59.018 0.191 0.000 1.562 82 C CB 1.521 29.321 27.740 0.099 0.000 2.003 82 C HN 0.556 nan 8.230 nan 0.000 0.460 83 V N 1.239 121.020 119.914 -0.221 0.000 2.295 83 V HA -0.108 4.020 4.120 0.013 0.000 0.246 83 V C 1.423 177.436 176.094 -0.136 0.000 1.049 83 V CA 2.159 64.271 62.300 -0.314 0.000 1.024 83 V CB -0.517 31.104 31.823 -0.337 0.000 0.648 83 V HN 0.907 nan 8.190 nan 0.000 0.447 84 S N -0.190 115.483 115.700 -0.044 0.000 2.533 84 S HA 0.002 4.480 4.470 0.013 0.000 0.282 84 S C 1.354 175.971 174.600 0.027 0.000 1.304 84 S CA 0.287 58.475 58.200 -0.020 0.000 1.063 84 S CB 1.150 64.343 63.200 -0.011 0.000 0.881 84 S HN 0.504 nan 8.310 nan 0.000 0.493 85 T N 5.437 120.000 114.554 0.014 0.000 2.737 85 T HA -0.059 4.299 4.350 0.013 0.000 0.265 85 T C 2.171 176.799 174.700 -0.121 0.000 1.038 85 T CA 1.465 63.529 62.100 -0.061 0.000 1.144 85 T CB -0.679 68.150 68.868 -0.065 0.000 0.866 85 T HN 0.818 nan 8.240 nan 0.000 0.434 86 A N 1.744 124.515 122.820 -0.081 0.000 1.908 86 A HA -0.170 4.158 4.320 0.013 0.000 0.218 86 A C 2.216 179.756 177.584 -0.072 0.000 1.181 86 A CA 1.677 53.668 52.037 -0.077 0.000 0.627 86 A CB -0.571 18.395 19.000 -0.057 0.000 0.818 86 A HN 0.585 nan 8.150 nan 0.000 0.445 87 E N -0.097 120.072 120.200 -0.053 0.000 2.077 87 E HA -0.120 4.238 4.350 0.013 0.000 0.193 87 E C 2.294 178.854 176.600 -0.067 0.000 0.989 87 E CA 1.325 57.700 56.400 -0.043 0.000 0.800 87 E CB -0.178 29.515 29.700 -0.012 0.000 0.746 87 E HN 0.604 nan 8.360 nan 0.000 0.452 88 S N 1.116 116.763 115.700 -0.089 0.000 2.382 88 S HA -0.187 4.291 4.470 0.013 0.000 0.228 88 S C 1.939 176.440 174.600 -0.165 0.000 1.027 88 S CA 0.975 59.091 58.200 -0.139 0.000 0.991 88 S CB -0.160 62.916 63.200 -0.207 0.000 0.823 88 S HN 0.268 nan 8.310 nan 0.000 0.469 89 Q N 0.822 120.526 119.800 -0.161 0.000 2.124 89 Q HA -0.186 4.163 4.340 0.013 0.000 0.202 89 Q C 2.431 178.359 176.000 -0.120 0.000 0.977 89 Q CA 1.280 56.997 55.803 -0.143 0.000 0.850 89 Q CB -0.200 28.460 28.738 -0.129 0.000 0.901 89 Q HN 0.619 nan 8.270 nan 0.000 0.429 90 Q N 0.740 120.478 119.800 -0.103 0.000 2.061 90 Q HA -0.191 4.157 4.340 0.013 0.000 0.204 90 Q C 2.045 177.978 176.000 -0.112 0.000 0.984 90 Q CA 1.172 56.919 55.803 -0.093 0.000 0.846 90 Q CB -0.055 28.643 28.738 -0.067 0.000 0.902 90 Q HN 0.395 nan 8.270 nan 0.000 0.421 91 L N 0.161 121.314 121.223 -0.117 0.000 2.093 91 L HA -0.135 4.213 4.340 0.013 0.000 0.208 91 L C 2.634 179.394 176.870 -0.183 0.000 1.085 91 L CA 0.846 55.602 54.840 -0.141 0.000 0.755 91 L CB -0.686 41.287 42.059 -0.143 0.000 0.904 91 L HN 0.325 nan 8.230 nan 0.000 0.435 92 A N 0.330 123.047 122.820 -0.172 0.000 1.883 92 A HA -0.214 4.114 4.320 0.013 0.000 0.217 92 A C 2.563 180.053 177.584 -0.157 0.000 1.186 92 A CA 1.863 53.802 52.037 -0.163 0.000 0.624 92 A CB -0.711 18.208 19.000 -0.136 0.000 0.822 92 A HN 0.404 nan 8.150 nan 0.000 0.444 93 A N -0.572 122.158 122.820 -0.149 0.000 1.908 93 A HA -0.107 4.221 4.320 0.013 0.000 0.218 93 A C 2.462 179.911 177.584 -0.224 0.000 1.181 93 A CA 2.225 54.171 52.037 -0.151 0.000 0.627 93 A CB -0.926 17.998 19.000 -0.127 0.000 0.818 93 A HN 0.471 nan 8.150 nan 0.000 0.445 94 S N -0.175 115.361 115.700 -0.273 0.000 2.356 94 S HA -0.037 4.441 4.470 0.013 0.000 0.223 94 S C 2.349 176.587 174.600 -0.602 0.000 1.032 94 S CA 1.182 59.085 58.200 -0.495 0.000 1.005 94 S CB -0.559 62.446 63.200 -0.325 0.000 0.867 94 S HN 0.828 nan 8.310 nan 0.000 0.449 95 A N 1.910 124.529 122.820 -0.336 0.000 1.917 95 A HA -0.236 4.093 4.320 0.013 0.000 0.219 95 A C 2.010 179.565 177.584 -0.048 0.000 1.182 95 A CA 2.259 54.134 52.037 -0.270 0.000 0.633 95 A CB -0.638 18.139 19.000 -0.371 0.000 0.819 95 A HN 0.395 nan 8.150 nan 0.000 0.448 96 K N 0.060 120.400 120.400 -0.099 0.000 2.009 96 K HA -0.121 4.207 4.320 0.013 0.000 0.210 96 K C 2.135 178.708 176.600 -0.046 0.000 1.049 96 K CA 1.863 58.129 56.287 -0.037 0.000 0.929 96 K CB -0.360 32.104 32.500 -0.060 0.000 0.714 96 K HN 0.481 nan 8.250 nan 0.000 0.440 97 R N -0.930 119.463 120.500 -0.179 0.000 2.105 97 R HA -0.148 4.200 4.340 0.013 0.000 0.239 97 R C 1.928 178.206 176.300 -0.037 0.000 1.135 97 R CA 1.613 57.607 56.100 -0.176 0.000 0.967 97 R CB -0.440 29.663 30.300 -0.327 0.000 0.861 97 R HN 0.307 nan 8.270 nan 0.000 0.442 98 Y N -0.358 120.010 120.300 0.114 0.000 2.583 98 Y HA 0.173 4.726 4.550 0.006 0.000 0.293 98 Y C 1.599 177.595 175.900 0.159 0.000 1.157 98 Y CA 0.371 58.572 58.100 0.167 0.000 1.315 98 Y CB -0.276 38.360 38.460 0.294 0.000 1.021 98 Y HN 0.297 nan 8.280 nan 0.000 0.536 99 G N -0.631 108.328 108.800 0.266 0.000 2.149 99 G HA2 -0.285 3.683 3.960 0.013 0.000 0.235 99 G HA3 -0.285 3.683 3.960 0.013 0.000 0.235 99 G C -0.066 174.910 174.900 0.127 0.000 1.018 99 G CA -0.479 44.709 45.100 0.148 0.000 0.728 99 G HN 0.142 nan 8.290 nan 0.000 0.508 100 F N 0.571 120.556 119.950 0.058 0.000 2.490 100 F HA 0.287 4.825 4.527 0.019 0.000 0.336 100 F C 1.690 177.510 175.800 0.034 0.000 1.178 100 F CA 0.348 58.373 58.000 0.042 0.000 1.301 100 F CB 0.535 39.555 39.000 0.034 0.000 1.175 100 F HN 0.065 nan 8.300 nan 0.000 0.593 101 D N 0.565 121.074 120.400 0.182 0.000 2.305 101 D HA 0.236 4.884 4.640 0.013 0.000 0.206 101 D C 0.246 176.638 176.300 0.152 0.000 0.974 101 D CA 0.774 54.852 54.000 0.131 0.000 0.871 101 D CB 0.399 41.254 40.800 0.091 0.000 0.947 101 D HN 0.393 nan 8.370 nan 0.000 0.516 102 A N 0.261 123.196 122.820 0.191 0.000 2.610 102 A HA 0.534 4.862 4.320 0.013 0.000 0.291 102 A C -0.859 176.797 177.584 0.120 0.000 1.086 102 A CA -0.707 51.422 52.037 0.153 0.000 0.677 102 A CB 1.336 20.438 19.000 0.170 0.000 1.278 102 A HN -0.055 nan 8.150 nan 0.000 0.414 103 V N -1.677 118.282 119.914 0.076 0.000 3.103 103 V HA 0.996 5.124 4.120 0.013 0.000 0.318 103 V C -0.019 176.124 176.094 0.081 0.000 1.114 103 V CA -0.306 62.000 62.300 0.010 0.000 1.020 103 V CB 1.547 33.350 31.823 -0.033 0.000 1.085 103 V HN 1.600 nan 8.190 nan 0.000 0.446 104 S N 0.376 116.111 115.700 0.058 0.000 2.556 104 S HA 0.903 5.381 4.470 0.013 0.000 0.271 104 S C -0.872 173.879 174.600 0.252 0.000 1.135 104 S CA 0.068 58.414 58.200 0.243 0.000 0.858 104 S CB 1.698 65.112 63.200 0.357 0.000 1.114 104 S HN 2.205 nan 8.310 nan 0.000 0.468 105 A N 2.360 125.472 122.820 0.486 0.000 2.437 105 A HA 0.662 4.990 4.320 0.013 0.000 0.293 105 A C -0.544 177.485 177.584 0.741 0.000 1.038 105 A CA -0.519 51.792 52.037 0.457 0.000 0.708 105 A CB 1.270 20.355 19.000 0.141 0.000 1.251 105 A HN 1.093 nan 8.150 nan 0.000 0.409 106 V N 2.921 123.383 119.914 0.913 0.000 2.872 106 V HA 0.367 4.495 4.120 0.013 0.000 0.307 106 V C 1.115 177.465 176.094 0.427 0.000 1.072 106 V CA 0.876 63.498 62.300 0.535 0.000 1.148 106 V CB 1.094 33.179 31.823 0.438 0.000 0.954 106 V HN 1.355 nan 8.190 nan 0.000 0.490 107 T N 7.065 121.823 114.554 0.340 0.000 2.871 107 T HA 0.180 4.538 4.350 0.013 0.000 0.296 107 T C -2.294 172.598 174.700 0.321 0.000 0.998 107 T CA -0.951 61.358 62.100 0.349 0.000 1.162 107 T CB 0.525 69.506 68.868 0.187 0.000 0.947 107 T HN 0.710 nan 8.240 nan 0.000 0.536 108 P HA 0.205 nan 4.420 nan 0.000 0.268 108 P C -0.458 177.007 177.300 0.275 0.000 1.205 108 P CA -0.299 62.788 63.100 -0.022 0.000 0.771 108 P CB 0.264 31.628 31.700 -0.560 0.000 0.858 109 F N 0.817 120.877 119.950 0.183 0.000 2.746 109 F HA 0.545 5.079 4.527 0.011 0.000 0.378 109 F C 1.489 177.364 175.800 0.125 0.000 1.165 109 F CA -1.285 56.787 58.000 0.120 0.000 1.089 109 F CB -0.170 38.820 39.000 -0.018 0.000 1.439 109 F HN 0.434 nan 8.300 nan 0.000 0.516 110 Y N -1.110 119.287 120.300 0.163 0.000 2.750 110 Y HA -0.381 4.182 4.550 0.023 0.000 0.477 110 Y C -0.520 175.203 175.900 -0.295 0.000 1.138 110 Y CA 1.535 59.558 58.100 -0.129 0.000 2.829 110 Y CB -1.633 36.645 38.460 -0.304 0.000 1.073 110 Y HN 0.536 nan 8.280 nan 0.000 0.590 111 Y N 3.899 124.111 120.300 -0.145 0.000 2.319 111 Y HA 0.410 4.965 4.550 0.008 0.000 0.328 111 Y C -1.987 173.440 175.900 -0.789 0.000 1.133 111 Y CA -2.403 55.396 58.100 -0.501 0.000 1.265 111 Y CB -0.027 38.060 38.460 -0.622 0.000 1.218 111 Y HN -0.028 nan 8.280 nan 0.000 0.508 112 P HA 0.144 nan 4.420 nan 0.000 0.276 112 P C -1.178 175.816 177.300 -0.510 0.000 1.235 112 P CA 0.083 62.991 63.100 -0.320 0.000 0.772 112 P CB 0.329 31.945 31.700 -0.140 0.000 0.871 113 F N 0.173 120.144 119.950 0.035 0.000 2.522 113 F HA 0.405 4.938 4.527 0.010 0.000 0.324 113 F C 1.154 176.976 175.800 0.036 0.000 1.077 113 F CA -0.695 57.252 58.000 -0.089 0.000 0.944 113 F CB 1.123 39.875 39.000 -0.413 0.000 1.175 113 F HN 0.190 nan 8.300 nan 0.000 0.468 114 S N 1.505 117.337 115.700 0.220 0.000 2.600 114 S HA 0.087 4.566 4.470 0.013 0.000 0.265 114 S C 0.868 175.672 174.600 0.340 0.000 1.325 114 S CA -0.398 57.943 58.200 0.234 0.000 1.002 114 S CB 0.313 63.606 63.200 0.155 0.000 0.921 114 S HN 0.602 nan 8.310 nan 0.000 0.554 115 F N 1.080 121.168 119.950 0.229 0.000 2.134 115 F HA -0.030 4.506 4.527 0.014 0.000 0.299 115 F C 2.425 178.348 175.800 0.205 0.000 1.097 115 F CA 2.003 60.154 58.000 0.252 0.000 1.264 115 F CB -0.624 38.466 39.000 0.150 0.000 1.001 115 F HN 0.947 nan 8.300 nan 0.000 0.479 116 E N 0.107 120.317 120.200 0.016 0.000 2.085 116 E HA -0.268 4.090 4.350 0.013 0.000 0.194 116 E C 2.067 178.605 176.600 -0.104 0.000 0.994 116 E CA 1.795 58.145 56.400 -0.083 0.000 0.801 116 E CB -0.181 29.529 29.700 0.018 0.000 0.743 116 E HN 0.601 nan 8.360 nan 0.000 0.453 117 E N -0.855 119.312 120.200 -0.054 0.000 2.077 117 E HA -0.204 4.154 4.350 0.013 0.000 0.193 117 E C 2.005 178.485 176.600 -0.200 0.000 0.989 117 E CA 1.343 57.668 56.400 -0.126 0.000 0.800 117 E CB -0.159 29.477 29.700 -0.106 0.000 0.746 117 E HN 0.453 nan 8.360 nan 0.000 0.452 118 H N -0.432 118.589 119.070 -0.081 0.000 2.319 118 H HA -0.139 4.425 4.556 0.013 0.000 0.299 118 H C 2.294 177.644 175.328 0.036 0.000 1.092 118 H CA 1.619 57.653 56.048 -0.023 0.000 1.302 118 H CB -0.211 29.606 29.762 0.091 0.000 1.373 118 H HN 0.198 nan 8.280 nan 0.000 0.497 119 C N 0.524 119.768 119.300 -0.092 0.000 2.413 119 C HA -0.152 4.316 4.460 0.013 0.000 0.276 119 C C 2.321 177.332 174.990 0.035 0.000 1.236 119 C CA 1.068 60.041 59.018 -0.076 0.000 1.735 119 C CB -0.473 27.099 27.740 -0.281 0.000 2.031 119 C HN 0.634 nan 8.230 nan 0.000 0.474 120 D N -0.867 119.520 120.400 -0.022 0.000 2.144 120 D HA -0.117 4.531 4.640 0.013 0.000 0.200 120 D C 1.749 178.041 176.300 -0.014 0.000 0.978 120 D CA 1.378 55.365 54.000 -0.022 0.000 0.833 120 D CB -0.613 40.158 40.800 -0.049 0.000 0.961 120 D HN 0.676 nan 8.370 nan 0.000 0.470 121 H N -0.515 118.465 119.070 -0.150 0.000 2.290 121 H HA -0.183 4.379 4.556 0.010 0.000 0.298 121 H C 1.753 176.951 175.328 -0.217 0.000 1.087 121 H CA 1.804 57.706 56.048 -0.243 0.000 1.291 121 H CB -0.298 29.241 29.762 -0.372 0.000 1.369 121 H HN 0.134 nan 8.280 nan 0.000 0.492 122 Y N 0.469 120.781 120.300 0.019 0.000 2.181 122 Y HA -0.143 4.418 4.550 0.018 0.000 0.288 122 Y C 2.831 178.698 175.900 -0.056 0.000 1.146 122 Y CA 1.579 59.668 58.100 -0.019 0.000 1.164 122 Y CB -0.229 38.266 38.460 0.058 0.000 0.982 122 Y HN 0.144 nan 8.280 nan 0.000 0.515 123 R N -0.312 120.245 120.500 0.095 0.000 2.091 123 R HA -0.199 4.149 4.340 0.013 0.000 0.238 123 R C 2.509 178.794 176.300 -0.025 0.000 1.136 123 R CA 1.259 57.378 56.100 0.032 0.000 0.959 123 R CB -0.686 29.622 30.300 0.014 0.000 0.856 123 R HN 0.349 nan 8.270 nan 0.000 0.437 124 A N 1.199 123.974 122.820 -0.075 0.000 1.877 124 A HA -0.148 4.180 4.320 0.013 0.000 0.216 124 A C 2.166 179.670 177.584 -0.134 0.000 1.186 124 A CA 1.291 53.262 52.037 -0.111 0.000 0.620 124 A CB -0.487 18.424 19.000 -0.148 0.000 0.822 124 A HN 0.187 nan 8.150 nan 0.000 0.443 125 I N -0.354 120.100 120.570 -0.193 0.000 2.226 125 I HA -0.257 3.921 4.170 0.013 0.000 0.245 125 I C 2.282 178.350 176.117 -0.082 0.000 1.100 125 I CA 1.287 62.480 61.300 -0.179 0.000 1.374 125 I CB -0.371 37.471 38.000 -0.264 0.000 1.057 125 I HN 0.290 nan 8.210 nan 0.000 0.413 126 I N 0.834 121.388 120.570 -0.027 0.000 2.194 126 I HA -0.359 3.819 4.170 0.013 0.000 0.246 126 I C 2.212 178.318 176.117 -0.018 0.000 1.093 126 I CA 1.910 63.213 61.300 0.005 0.000 1.355 126 I CB -0.444 37.578 38.000 0.038 0.000 1.046 126 I HN 0.298 nan 8.210 nan 0.000 0.413 127 D N 0.250 120.631 120.400 -0.031 0.000 2.097 127 D HA -0.170 4.478 4.640 0.013 0.000 0.195 127 D C 2.211 178.484 176.300 -0.046 0.000 0.989 127 D CA 1.511 55.490 54.000 -0.035 0.000 0.827 127 D CB 0.141 40.917 40.800 -0.040 0.000 0.966 127 D HN 0.116 nan 8.370 nan 0.000 0.456 128 S N -0.527 115.135 115.700 -0.064 0.000 2.423 128 S HA -0.073 4.405 4.470 0.013 0.000 0.231 128 S C 1.938 176.497 174.600 -0.069 0.000 1.014 128 S CA 0.790 58.946 58.200 -0.073 0.000 0.965 128 S CB -0.207 62.936 63.200 -0.095 0.000 0.785 128 S HN 0.448 nan 8.310 nan 0.000 0.495 129 A N 1.045 123.831 122.820 -0.058 0.000 2.168 129 A HA 0.038 4.366 4.320 0.013 0.000 0.215 129 A C 0.891 178.459 177.584 -0.027 0.000 1.152 129 A CA 0.876 52.887 52.037 -0.044 0.000 0.716 129 A CB -0.500 18.486 19.000 -0.024 0.000 0.794 129 A HN 0.405 nan 8.150 nan 0.000 0.465 130 D N -2.712 117.672 120.400 -0.027 0.000 2.704 130 D HA -0.112 4.536 4.640 0.013 0.000 0.232 130 D C 0.932 177.226 176.300 -0.010 0.000 1.183 130 D CA 1.948 55.935 54.000 -0.021 0.000 0.647 130 D CB -1.411 39.372 40.800 -0.028 0.000 1.013 130 D HN 1.243 nan 8.370 nan 0.000 0.415 131 G N -1.451 107.346 108.800 -0.004 0.000 2.253 131 G HA2 -0.226 3.742 3.960 0.013 0.000 0.209 131 G HA3 -0.226 3.742 3.960 0.013 0.000 0.209 131 G C 0.074 174.986 174.900 0.020 0.000 0.997 131 G CA -0.106 44.996 45.100 0.002 0.000 0.640 131 G HN 0.445 nan 8.290 nan 0.000 0.496 132 L N 3.334 124.574 121.223 0.029 0.000 2.410 132 L HA 0.451 4.799 4.340 0.013 0.000 0.273 132 L C -1.524 175.382 176.870 0.060 0.000 1.144 132 L CA -1.409 53.464 54.840 0.054 0.000 0.863 132 L CB 0.283 42.377 42.059 0.057 0.000 1.140 132 L HN -0.017 nan 8.230 nan 0.000 0.463 133 P HA 0.165 nan 4.420 nan 0.000 0.272 133 P C -0.663 176.703 177.300 0.110 0.000 1.223 133 P CA -0.543 62.613 63.100 0.094 0.000 0.784 133 P CB 0.556 32.325 31.700 0.115 0.000 0.923 134 M N 2.803 122.473 119.600 0.117 0.000 2.238 134 M HA 0.319 4.807 4.480 0.013 0.000 0.350 134 M C -1.464 174.936 176.300 0.167 0.000 1.138 134 M CA -0.466 54.922 55.300 0.146 0.000 1.040 134 M CB 0.963 33.656 32.600 0.156 0.000 1.639 134 M HN -0.035 nan 8.290 nan 0.000 0.451 135 V N 6.380 126.426 119.914 0.220 0.000 2.311 135 V HA 0.329 4.457 4.120 0.013 0.000 0.275 135 V C -0.283 175.985 176.094 0.290 0.000 1.022 135 V CA -0.905 61.550 62.300 0.259 0.000 0.830 135 V CB 0.786 32.814 31.823 0.341 0.000 1.012 135 V HN 0.732 nan 8.190 nan 0.000 0.452 136 V N 5.622 125.642 119.914 0.177 0.000 2.599 136 V HA 0.042 4.170 4.120 0.013 0.000 0.300 136 V C -0.265 176.017 176.094 0.314 0.000 1.034 136 V CA 0.091 62.477 62.300 0.143 0.000 1.115 136 V CB 0.470 32.199 31.823 -0.156 0.000 0.934 136 V HN 0.732 nan 8.190 nan 0.000 0.485 137 Y N 6.139 126.605 120.300 0.278 0.000 2.345 137 Y HA 0.380 4.936 4.550 0.010 0.000 0.331 137 Y C -0.041 175.973 175.900 0.189 0.000 0.959 137 Y CA -1.772 56.467 58.100 0.231 0.000 1.204 137 Y CB 1.045 39.702 38.460 0.329 0.000 1.135 137 Y HN 0.736 nan 8.280 nan 0.000 0.477 138 N N 7.345 126.170 118.700 0.210 0.000 2.444 138 N HA 0.381 5.129 4.740 0.013 0.000 0.262 138 N C -1.383 174.083 175.510 -0.073 0.000 0.974 138 N CA -0.241 52.822 53.050 0.021 0.000 0.933 138 N CB 0.733 39.250 38.487 0.051 0.000 1.137 138 N HN 0.830 nan 8.380 nan 0.000 0.498 139 I N 5.998 126.441 120.570 -0.210 0.000 2.867 139 I HA 0.341 4.519 4.170 0.013 0.000 0.282 139 I C -2.186 173.871 176.117 -0.098 0.000 1.437 139 I CA -2.190 58.999 61.300 -0.186 0.000 0.918 139 I CB 1.452 39.263 38.000 -0.314 0.000 1.612 139 I HN 0.433 nan 8.210 nan 0.000 0.592 140 P HA -0.133 nan 4.420 nan 0.000 0.218 140 P C 1.531 178.834 177.300 0.006 0.000 1.148 140 P CA 1.371 64.467 63.100 -0.006 0.000 0.822 140 P CB 0.187 31.899 31.700 0.020 0.000 0.784 141 A N -0.916 121.930 122.820 0.044 0.000 1.972 141 A HA -0.130 4.198 4.320 0.013 0.000 0.219 141 A C 2.121 179.709 177.584 0.007 0.000 1.169 141 A CA 1.413 53.483 52.037 0.055 0.000 0.635 141 A CB -1.292 17.793 19.000 0.141 0.000 0.810 141 A HN 0.163 nan 8.150 nan 0.000 0.446 142 L N -0.828 120.376 121.223 -0.032 0.000 2.388 142 L HA -0.010 4.338 4.340 0.013 0.000 0.209 142 L C 2.790 179.556 176.870 -0.173 0.000 1.061 142 L CA 1.098 55.878 54.840 -0.099 0.000 0.834 142 L CB -0.377 41.618 42.059 -0.106 0.000 1.029 142 L HN 0.520 nan 8.230 nan 0.000 0.473 143 S N -0.091 115.520 115.700 -0.149 0.000 2.428 143 S HA -0.014 4.464 4.470 0.013 0.000 0.230 143 S C 1.744 176.346 174.600 0.002 0.000 1.014 143 S CA 0.769 58.913 58.200 -0.094 0.000 0.957 143 S CB -0.106 63.078 63.200 -0.027 0.000 0.784 143 S HN 0.525 nan 8.310 nan 0.000 0.499 144 G N 0.367 109.158 108.800 -0.015 0.000 2.168 144 G HA2 -0.248 3.720 3.960 0.013 0.000 0.263 144 G HA3 -0.248 3.720 3.960 0.013 0.000 0.263 144 G C 0.068 174.983 174.900 0.024 0.000 0.977 144 G CA 0.301 45.401 45.100 -0.000 0.000 0.659 144 G HN 0.823 nan 8.290 nan 0.000 0.533 145 V N 0.554 120.490 119.914 0.037 0.000 2.385 145 V HA 0.425 4.553 4.120 0.013 0.000 0.269 145 V C 0.477 176.575 176.094 0.007 0.000 1.043 145 V CA -0.187 62.137 62.300 0.039 0.000 0.906 145 V CB 1.441 33.286 31.823 0.036 0.000 0.995 145 V HN 0.296 nan 8.190 nan 0.000 0.467 146 K N 6.013 126.418 120.400 0.010 0.000 2.356 146 K HA 0.502 4.830 4.320 0.013 0.000 0.243 146 K C -0.747 175.845 176.600 -0.014 0.000 1.072 146 K CA -0.220 56.067 56.287 0.000 0.000 1.014 146 K CB 0.775 33.277 32.500 0.005 0.000 1.523 146 K HN 0.565 nan 8.250 nan 0.000 0.455 147 L N 2.108 123.314 121.223 -0.028 0.000 2.397 147 L HA 0.182 4.531 4.340 0.013 0.000 0.271 147 L C 1.171 177.995 176.870 -0.076 0.000 1.148 147 L CA -0.389 54.416 54.840 -0.059 0.000 0.825 147 L CB 0.690 42.724 42.059 -0.042 0.000 1.117 147 L HN 0.566 nan 8.230 nan 0.000 0.456 148 T N -0.607 113.871 114.554 -0.127 0.000 2.788 148 T HA 0.134 4.492 4.350 0.013 0.000 0.287 148 T C 0.945 175.576 174.700 -0.115 0.000 1.007 148 T CA -0.720 61.311 62.100 -0.115 0.000 1.005 148 T CB 1.067 69.855 68.868 -0.133 0.000 1.012 148 T HN 0.491 nan 8.240 nan 0.000 0.530 149 L N 0.573 121.741 121.223 -0.093 0.000 2.042 149 L HA -0.031 4.317 4.340 0.013 0.000 0.210 149 L C 2.002 178.830 176.870 -0.070 0.000 1.076 149 L CA 1.965 56.757 54.840 -0.080 0.000 0.749 149 L CB -1.044 40.956 42.059 -0.098 0.000 0.893 149 L HN 0.706 nan 8.230 nan 0.000 0.432 150 D N -0.783 119.559 120.400 -0.096 0.000 2.144 150 D HA -0.203 4.445 4.640 0.013 0.000 0.199 150 D C 2.192 178.405 176.300 -0.145 0.000 0.984 150 D CA 1.267 55.212 54.000 -0.091 0.000 0.834 150 D CB -0.039 40.703 40.800 -0.097 0.000 0.955 150 D HN 0.555 nan 8.370 nan 0.000 0.465 151 Q N -0.031 119.585 119.800 -0.308 0.000 2.079 151 Q HA -0.044 4.304 4.340 0.013 0.000 0.200 151 Q C 2.483 178.418 176.000 -0.109 0.000 0.974 151 Q CA 0.655 56.096 55.803 -0.603 0.000 0.840 151 Q CB 0.041 28.193 28.738 -0.977 0.000 0.898 151 Q HN 0.320 nan 8.270 nan 0.000 0.430 152 I N 1.230 121.766 120.570 -0.057 0.000 2.208 152 I HA -0.311 3.867 4.170 0.013 0.000 0.245 152 I C 1.767 177.915 176.117 0.052 0.000 1.097 152 I CA 0.821 62.131 61.300 0.015 0.000 1.363 152 I CB -0.323 37.674 38.000 -0.005 0.000 1.051 152 I HN 0.243 nan 8.210 nan 0.000 0.413 153 N N 0.335 119.093 118.700 0.095 0.000 2.104 153 N HA -0.151 4.597 4.740 0.013 0.000 0.190 153 N C 1.854 177.470 175.510 0.176 0.000 1.024 153 N CA 1.818 54.996 53.050 0.214 0.000 0.853 153 N CB -0.665 37.941 38.487 0.198 0.000 1.008 153 N HN 0.312 nan 8.380 nan 0.000 0.424 154 T N 1.840 116.495 114.554 0.168 0.000 2.737 154 T HA 0.028 4.386 4.350 0.013 0.000 0.265 154 T C 2.132 176.945 174.700 0.188 0.000 1.038 154 T CA 0.563 62.793 62.100 0.217 0.000 1.144 154 T CB -0.245 68.840 68.868 0.363 0.000 0.866 154 T HN 0.124 nan 8.240 nan 0.000 0.434 155 L N 1.415 122.764 121.223 0.209 0.000 2.042 155 L HA -0.085 4.263 4.340 0.013 0.000 0.210 155 L C 2.664 179.516 176.870 -0.030 0.000 1.076 155 L CA 1.218 56.089 54.840 0.052 0.000 0.749 155 L CB -0.697 41.355 42.059 -0.011 0.000 0.893 155 L HN 0.273 nan 8.230 nan 0.000 0.432 156 V N -4.032 115.859 119.914 -0.039 0.000 3.461 156 V HA -0.039 4.089 4.120 0.013 0.000 0.267 156 V C 1.818 177.959 176.094 0.078 0.000 1.186 156 V CA 1.356 63.608 62.300 -0.080 0.000 1.154 156 V CB -0.853 30.803 31.823 -0.278 0.000 0.802 156 V HN 0.558 nan 8.190 nan 0.000 0.474 157 T N -2.060 112.543 114.554 0.082 0.000 3.092 157 T HA 0.418 4.776 4.350 0.013 0.000 0.258 157 T C 0.470 175.204 174.700 0.055 0.000 1.031 157 T CA -0.328 61.827 62.100 0.091 0.000 0.925 157 T CB -0.433 68.497 68.868 0.105 0.000 1.036 157 T HN 0.395 nan 8.240 nan 0.000 0.544 158 L N 2.184 123.438 121.223 0.053 0.000 2.514 158 L HA 0.251 4.599 4.340 0.013 0.000 0.280 158 L C -2.127 174.767 176.870 0.039 0.000 1.223 158 L CA -1.878 52.987 54.840 0.042 0.000 0.864 158 L CB -0.148 41.934 42.059 0.039 0.000 1.118 158 L HN -0.007 nan 8.230 nan 0.000 0.494 159 P HA 0.024 nan 4.420 nan 0.000 0.261 159 P C 0.708 178.027 177.300 0.032 0.000 1.183 159 P CA 0.877 63.990 63.100 0.021 0.000 0.761 159 P CB 0.684 32.391 31.700 0.012 0.000 0.785 160 G N 1.451 110.273 108.800 0.037 0.000 2.213 160 G HA2 -0.211 3.757 3.960 0.013 0.000 0.236 160 G HA3 -0.211 3.757 3.960 0.013 0.000 0.236 160 G C 0.055 175.000 174.900 0.076 0.000 0.991 160 G CA -0.222 44.906 45.100 0.046 0.000 0.629 160 G HN 0.525 nan 8.290 nan 0.000 0.517 161 V N 1.493 121.459 119.914 0.086 0.000 2.470 161 V HA 0.563 4.691 4.120 0.013 0.000 0.276 161 V C 1.469 177.653 176.094 0.150 0.000 1.040 161 V CA 1.065 63.424 62.300 0.099 0.000 1.008 161 V CB 1.286 33.147 31.823 0.064 0.000 0.990 161 V HN 0.712 nan 8.190 nan 0.000 0.477 162 G N 2.984 111.859 108.800 0.125 0.000 3.228 162 G HA2 0.643 4.611 3.960 0.013 0.000 0.245 162 G HA3 0.643 4.611 3.960 0.013 0.000 0.245 162 G C 0.162 175.079 174.900 0.028 0.000 1.051 162 G CA 0.695 45.873 45.100 0.130 0.000 0.809 162 G HN 1.053 nan 8.290 nan 0.000 0.531 163 A N -0.762 122.062 122.820 0.007 0.000 2.601 163 A HA 0.730 5.058 4.320 0.013 0.000 0.291 163 A C -2.059 175.522 177.584 -0.005 0.000 1.075 163 A CA -0.503 51.505 52.037 -0.049 0.000 0.671 163 A CB 1.346 20.381 19.000 0.059 0.000 1.277 163 A HN 0.621 nan 8.150 nan 0.000 0.417 167 T N 1.736 116.268 114.554 -0.038 0.000 3.579 167 T HA 0.557 4.915 4.350 0.013 0.000 0.328 167 T C -0.621 173.935 174.700 -0.239 0.000 1.481 167 T CA 0.141 62.060 62.100 -0.302 0.000 1.144 167 T CB 0.150 68.826 68.868 -0.320 0.000 1.205 167 T HN 0.378 nan 8.240 nan 0.000 0.812 168 S N 0.740 116.441 115.700 0.002 0.000 2.536 168 S HA 0.592 5.070 4.470 0.013 0.000 0.271 168 S C 1.032 175.842 174.600 0.350 0.000 1.134 168 S CA -0.575 57.765 58.200 0.232 0.000 0.897 168 S CB 1.463 64.734 63.200 0.118 0.000 1.094 168 S HN 0.495 nan 8.310 nan 0.000 0.473 169 G N 1.581 110.590 108.800 0.349 0.000 3.088 169 G HA2 0.111 4.079 3.960 0.013 0.000 0.212 169 G HA3 0.111 4.079 3.960 0.013 0.000 0.212 169 G C 0.082 175.055 174.900 0.123 0.000 1.173 169 G CA -0.108 45.110 45.100 0.197 0.000 0.779 169 G HN 0.681 nan 8.290 nan 0.000 0.540 170 D N 0.970 121.443 120.400 0.121 0.000 2.422 170 D HA 0.155 4.803 4.640 0.013 0.000 0.227 170 D C 1.379 177.741 176.300 0.104 0.000 1.190 170 D CA -0.332 53.730 54.000 0.104 0.000 0.905 170 D CB 0.463 41.317 40.800 0.090 0.000 1.034 170 D HN 0.078 nan 8.370 nan 0.000 0.507 171 L N 3.561 124.850 121.223 0.110 0.000 2.558 171 L HA -0.051 4.297 4.340 0.013 0.000 0.225 171 L C 1.571 178.528 176.870 0.146 0.000 1.128 171 L CA -0.023 54.877 54.840 0.101 0.000 0.868 171 L CB -0.292 41.814 42.059 0.079 0.000 1.006 171 L HN 0.433 nan 8.230 nan 0.000 0.454 172 Y N 1.436 121.746 120.300 0.017 0.000 2.133 172 Y HA -0.286 4.272 4.550 0.014 0.000 0.287 172 Y C 2.633 178.541 175.900 0.013 0.000 1.134 172 Y CA 1.762 59.869 58.100 0.011 0.000 1.133 172 Y CB -0.405 38.060 38.460 0.009 0.000 0.987 172 Y HN 0.170 nan 8.280 nan 0.000 0.502 173 Q N -0.617 119.137 119.800 -0.076 0.000 2.135 173 Q HA -0.264 4.084 4.340 0.013 0.000 0.204 173 Q C 2.303 178.255 176.000 -0.081 0.000 0.981 173 Q CA 2.061 57.761 55.803 -0.171 0.000 0.856 173 Q CB -0.225 28.463 28.738 -0.083 0.000 0.902 173 Q HN 0.554 nan 8.270 nan 0.000 0.425 174 M N 0.658 120.253 119.600 -0.009 0.000 2.080 174 M HA -0.196 4.292 4.480 0.013 0.000 0.260 174 M C 1.899 178.195 176.300 -0.006 0.000 1.068 174 M CA 1.726 57.027 55.300 0.003 0.000 1.109 174 M CB -0.257 32.358 32.600 0.024 0.000 1.342 174 M HN 0.172 nan 8.290 nan 0.000 0.405 175 E N -0.134 120.071 120.200 0.009 0.000 2.077 175 E HA -0.237 4.121 4.350 0.013 0.000 0.193 175 E C 1.915 178.503 176.600 -0.020 0.000 0.989 175 E CA 1.695 58.104 56.400 0.015 0.000 0.800 175 E CB -0.257 29.485 29.700 0.069 0.000 0.746 175 E HN 0.728 nan 8.360 nan 0.000 0.452 176 Q N 0.035 119.782 119.800 -0.089 0.000 2.084 176 Q HA -0.123 4.225 4.340 0.013 0.000 0.202 176 Q C 2.468 178.427 176.000 -0.068 0.000 0.978 176 Q CA 1.518 57.244 55.803 -0.128 0.000 0.844 176 Q CB -0.101 28.468 28.738 -0.281 0.000 0.898 176 Q HN 0.359 nan 8.270 nan 0.000 0.426 177 I N 0.295 120.849 120.570 -0.027 0.000 2.179 177 I HA -0.275 3.904 4.170 0.013 0.000 0.242 177 I C 2.532 178.707 176.117 0.096 0.000 1.088 177 I CA 0.997 62.342 61.300 0.075 0.000 1.357 177 I CB -0.165 37.868 38.000 0.054 0.000 1.051 177 I HN 0.100 nan 8.210 nan 0.000 0.409 178 R N 1.548 122.067 120.500 0.030 0.000 2.096 178 R HA -0.200 4.148 4.340 0.013 0.000 0.235 178 R C 2.271 178.574 176.300 0.005 0.000 1.127 178 R CA 1.715 57.828 56.100 0.021 0.000 0.968 178 R CB -0.572 29.728 30.300 -0.001 0.000 0.861 178 R HN 0.219 nan 8.270 nan 0.000 0.440 179 R N -0.147 120.341 120.500 -0.020 0.000 2.075 179 R HA -0.121 4.227 4.340 0.013 0.000 0.232 179 R C 1.963 178.209 176.300 -0.089 0.000 1.126 179 R CA 1.842 57.919 56.100 -0.039 0.000 0.963 179 R CB -0.264 30.016 30.300 -0.034 0.000 0.858 179 R HN 0.299 nan 8.270 nan 0.000 0.435 180 E N -0.337 119.763 120.200 -0.166 0.000 2.152 180 E HA -0.111 4.247 4.350 0.013 0.000 0.192 180 E C -0.351 175.947 176.600 -0.503 0.000 0.983 180 E CA 1.204 57.378 56.400 -0.377 0.000 0.818 180 E CB 0.219 29.592 29.700 -0.546 0.000 0.758 180 E HN 0.556 nan 8.360 nan 0.000 0.467 181 H N -0.546 118.539 119.070 0.026 0.000 2.423 181 H HA 0.211 4.775 4.556 0.014 0.000 0.237 181 H C -1.938 173.415 175.328 0.041 0.000 1.391 181 H CA -1.736 54.354 56.048 0.071 0.000 1.453 181 H CB 1.317 31.115 29.762 0.059 0.000 1.484 181 H HN 0.110 nan 8.280 nan 0.000 0.505 182 P HA -0.163 nan 4.420 nan 0.000 0.219 182 P C 0.410 177.753 177.300 0.072 0.000 1.146 182 P CA 1.198 64.334 63.100 0.061 0.000 0.808 182 P CB 0.622 32.342 31.700 0.032 0.000 0.779 183 D N -1.057 119.419 120.400 0.127 0.000 2.360 183 D HA 0.065 4.713 4.640 0.013 0.000 0.210 183 D C 0.822 177.175 176.300 0.088 0.000 1.047 183 D CA -0.196 53.883 54.000 0.132 0.000 0.854 183 D CB -0.134 40.780 40.800 0.191 0.000 0.936 183 D HN 0.128 nan 8.370 nan 0.000 0.514 184 L N 1.841 123.057 121.223 -0.011 0.000 2.455 184 L HA 0.025 4.373 4.340 0.013 0.000 0.272 184 L C -0.196 176.545 176.870 -0.214 0.000 1.174 184 L CA -0.025 54.631 54.840 -0.307 0.000 0.869 184 L CB 0.871 42.653 42.059 -0.463 0.000 1.130 184 L HN -0.287 nan 8.230 nan 0.000 0.474 185 V N 6.764 126.532 119.914 -0.243 0.000 2.521 185 V HA 0.133 4.261 4.120 0.013 0.000 0.286 185 V C 0.009 175.849 176.094 -0.425 0.000 1.034 185 V CA -0.156 61.950 62.300 -0.322 0.000 1.045 185 V CB 0.852 32.472 31.823 -0.339 0.000 0.974 185 V HN 0.598 nan 8.190 nan 0.000 0.480 186 L N 7.627 128.596 121.223 -0.423 0.000 2.471 186 L HA 0.500 4.848 4.340 0.013 0.000 0.263 186 L C -1.089 175.645 176.870 -0.227 0.000 0.985 186 L CA -0.299 54.379 54.840 -0.270 0.000 0.868 186 L CB 1.071 43.042 42.059 -0.147 0.000 1.203 186 L HN 0.509 nan 8.230 nan 0.000 0.429 187 Y N 2.698 122.984 120.300 -0.024 0.000 2.365 187 Y HA 0.317 4.876 4.550 0.015 0.000 0.340 187 Y C 0.878 176.768 175.900 -0.016 0.000 1.016 187 Y CA -0.274 57.818 58.100 -0.013 0.000 1.196 187 Y CB 0.583 39.010 38.460 -0.056 0.000 1.167 187 Y HN 0.644 nan 8.280 nan 0.000 0.509 188 N N 1.639 120.439 118.700 0.167 0.000 2.468 188 N HA 0.121 4.869 4.740 0.013 0.000 0.265 188 N C 1.012 176.598 175.510 0.127 0.000 1.199 188 N CA 0.561 53.690 53.050 0.132 0.000 0.928 188 N CB 0.740 39.294 38.487 0.112 0.000 1.059 188 N HN 0.893 nan 8.380 nan 0.000 0.467 189 G N 2.280 111.091 108.800 0.019 0.000 2.656 189 G HA2 -0.040 3.928 3.960 0.013 0.000 0.211 189 G HA3 -0.040 3.928 3.960 0.013 0.000 0.211 189 G C -0.402 174.403 174.900 -0.158 0.000 1.137 189 G CA 0.113 45.129 45.100 -0.140 0.000 0.802 189 G HN 0.527 nan 8.290 nan 0.000 0.527 190 Y N 2.229 122.573 120.300 0.073 0.000 2.425 190 Y HA 0.280 4.838 4.550 0.014 0.000 0.347 190 Y C 0.753 176.728 175.900 0.126 0.000 0.976 190 Y CA -1.643 56.502 58.100 0.075 0.000 1.190 190 Y CB 1.314 39.820 38.460 0.076 0.000 1.136 190 Y HN 0.024 nan 8.280 nan 0.000 0.517 191 D N 1.118 121.673 120.400 0.257 0.000 2.182 191 D HA -0.199 4.449 4.640 0.013 0.000 0.201 191 D C 1.372 177.883 176.300 0.351 0.000 0.986 191 D CA 1.419 55.564 54.000 0.241 0.000 0.847 191 D CB -0.114 40.762 40.800 0.126 0.000 0.942 191 D HN 0.612 nan 8.370 nan 0.000 0.467 192 N N 0.871 119.729 118.700 0.263 0.000 2.521 192 N HA -0.074 4.674 4.740 0.013 0.000 0.188 192 N C 1.278 176.898 175.510 0.184 0.000 1.146 192 N CA 0.261 53.428 53.050 0.196 0.000 0.893 192 N CB -0.621 37.929 38.487 0.105 0.000 0.975 192 N HN 0.432 nan 8.380 nan 0.000 0.451 193 I N -5.857 114.855 120.570 0.237 0.000 3.966 193 I HA 0.402 4.580 4.170 0.013 0.000 0.324 193 I C 0.854 177.118 176.117 0.246 0.000 1.517 193 I CA -0.777 60.642 61.300 0.199 0.000 1.117 193 I CB -0.227 37.862 38.000 0.149 0.000 1.190 193 I HN -0.211 nan 8.210 nan 0.000 0.466 194 F N 3.066 123.126 119.950 0.183 0.000 2.063 194 F HA -0.267 4.268 4.527 0.013 0.000 0.298 194 F C 2.474 178.355 175.800 0.135 0.000 1.109 194 F CA 2.567 60.680 58.000 0.189 0.000 1.212 194 F CB -0.076 39.111 39.000 0.312 0.000 0.973 194 F HN 0.228 nan 8.300 nan 0.000 0.480 195 A N -0.738 122.206 122.820 0.207 0.000 1.877 195 A HA -0.182 4.147 4.320 0.013 0.000 0.216 195 A C 2.351 179.923 177.584 -0.020 0.000 1.186 195 A CA 2.100 54.171 52.037 0.057 0.000 0.620 195 A CB -1.323 17.747 19.000 0.118 0.000 0.822 195 A HN 0.447 nan 8.150 nan 0.000 0.443 196 S N -0.512 115.205 115.700 0.028 0.000 2.399 196 S HA -0.042 4.436 4.470 0.013 0.000 0.231 196 S C 2.012 176.606 174.600 -0.010 0.000 1.022 196 S CA 1.040 59.250 58.200 0.017 0.000 0.983 196 S CB -0.526 62.700 63.200 0.043 0.000 0.803 196 S HN 0.778 nan 8.310 nan 0.000 0.480 197 G N 1.643 110.427 108.800 -0.027 0.000 2.402 197 G HA2 -0.096 3.872 3.960 0.013 0.000 0.216 197 G HA3 -0.096 3.872 3.960 0.013 0.000 0.216 197 G C 1.326 176.156 174.900 -0.117 0.000 1.162 197 G CA 0.439 45.510 45.100 -0.047 0.000 0.777 197 G HN 0.421 nan 8.290 nan 0.000 0.539 198 L N -0.350 120.731 121.223 -0.237 0.000 2.012 198 L HA -0.076 4.272 4.340 0.013 0.000 0.210 198 L C 2.722 179.525 176.870 -0.113 0.000 1.073 198 L CA 0.664 55.365 54.840 -0.230 0.000 0.748 198 L CB -0.463 41.399 42.059 -0.328 0.000 0.891 198 L HN 0.216 nan 8.230 nan 0.000 0.431 199 L N 0.204 121.379 121.223 -0.080 0.000 2.083 199 L HA -0.148 4.200 4.340 0.013 0.000 0.209 199 L C 2.555 179.412 176.870 -0.022 0.000 1.083 199 L CA 1.953 56.770 54.840 -0.038 0.000 0.752 199 L CB -0.648 41.400 42.059 -0.019 0.000 0.899 199 L HN 0.158 nan 8.230 nan 0.000 0.433 200 A N -1.586 121.223 122.820 -0.017 0.000 2.066 200 A HA 0.301 4.629 4.320 0.013 0.000 0.218 200 A C 1.841 179.422 177.584 -0.005 0.000 1.157 200 A CA 1.200 53.239 52.037 0.003 0.000 0.670 200 A CB -0.548 18.464 19.000 0.020 0.000 0.804 200 A HN 0.718 nan 8.150 nan 0.000 0.453 201 G N -3.069 105.714 108.800 -0.028 0.000 2.902 201 G HA2 0.311 4.279 3.960 0.013 0.000 0.215 201 G HA3 0.311 4.279 3.960 0.013 0.000 0.215 201 G C 0.346 175.215 174.900 -0.051 0.000 0.976 201 G CA 0.052 45.133 45.100 -0.031 0.000 0.794 201 G HN 1.234 nan 8.290 nan 0.000 0.557 202 A N 1.064 123.842 122.820 -0.069 0.000 2.483 202 A HA 0.508 4.836 4.320 0.013 0.000 0.238 202 A C 1.016 178.538 177.584 -0.104 0.000 1.070 202 A CA 1.035 53.019 52.037 -0.087 0.000 0.770 202 A CB 0.289 19.234 19.000 -0.092 0.000 1.008 202 A HN 0.676 nan 8.150 nan 0.000 0.497 203 D N -0.039 120.300 120.400 -0.101 0.000 2.479 203 D HA 0.432 5.080 4.640 0.013 0.000 0.218 203 D C 0.405 176.686 176.300 -0.031 0.000 1.177 203 D CA 0.606 54.560 54.000 -0.076 0.000 0.830 203 D CB 0.047 40.803 40.800 -0.075 0.000 1.014 203 D HN 0.905 nan 8.370 nan 0.000 0.503 204 G N -1.702 107.101 108.800 0.005 0.000 2.348 204 G HA2 0.559 4.527 3.960 0.013 0.000 0.296 204 G HA3 0.559 4.527 3.960 0.013 0.000 0.296 204 G C -1.144 173.971 174.900 0.357 0.000 1.258 204 G CA -0.335 44.885 45.100 0.201 0.000 0.868 204 G HN 0.566 nan 8.290 nan 0.000 0.488 205 G N -1.209 107.944 108.800 0.587 0.000 2.673 205 G HA2 0.635 4.603 3.960 0.013 0.000 0.292 205 G HA3 0.635 4.603 3.960 0.013 0.000 0.292 205 G C -1.760 173.342 174.900 0.337 0.000 1.450 205 G CA -0.593 44.852 45.100 0.575 0.000 0.837 205 G HN 0.761 nan 8.290 nan 0.000 0.505 206 I N 0.587 121.110 120.570 -0.078 0.000 2.466 206 I HA 0.732 4.910 4.170 0.013 0.000 0.289 206 I C 0.335 175.970 176.117 -0.804 0.000 1.026 206 I CA -0.606 60.380 61.300 -0.525 0.000 1.078 206 I CB 2.453 39.951 38.000 -0.837 0.000 1.249 206 I HN 0.806 nan 8.210 nan 0.000 0.429 207 G N 2.089 110.067 108.800 -1.371 0.000 2.742 207 G HA2 0.355 4.323 3.960 0.013 0.000 0.296 207 G HA3 0.355 4.323 3.960 0.013 0.000 0.296 207 G C 0.243 174.602 174.900 -0.902 0.000 1.436 207 G CA -0.049 44.278 45.100 -1.290 0.000 0.928 207 G HN 0.604 nan 8.290 nan 0.000 0.520 208 S N -0.432 115.011 115.700 -0.429 0.000 2.383 208 S HA -0.148 4.330 4.470 0.013 0.000 0.227 208 S C 2.248 176.786 174.600 -0.103 0.000 1.026 208 S CA 2.232 60.315 58.200 -0.194 0.000 0.981 208 S CB -0.588 62.617 63.200 0.008 0.000 0.818 208 S HN 1.287 nan 8.310 nan 0.000 0.472 209 T N -1.897 112.621 114.554 -0.060 0.000 3.118 209 T HA 0.077 4.435 4.350 0.013 0.000 0.260 209 T C 1.310 176.125 174.700 0.192 0.000 1.139 209 T CA 0.183 62.337 62.100 0.091 0.000 1.085 209 T CB -0.688 68.278 68.868 0.164 0.000 0.934 209 T HN 0.372 nan 8.240 nan 0.000 0.518 210 Y N 2.419 122.641 120.300 -0.131 0.000 2.403 210 Y HA 0.088 4.647 4.550 0.015 0.000 0.291 210 Y C 2.334 178.220 175.900 -0.022 0.000 1.143 210 Y CA -0.624 57.410 58.100 -0.109 0.000 1.257 210 Y CB -1.140 37.197 38.460 -0.204 0.000 0.984 210 Y HN 0.356 nan 8.280 nan 0.000 0.550 211 N N 0.736 119.525 118.700 0.148 0.000 2.289 211 N HA -0.132 4.616 4.740 0.013 0.000 0.184 211 N C 1.701 177.374 175.510 0.272 0.000 1.016 211 N CA 1.848 55.001 53.050 0.171 0.000 0.872 211 N CB -0.108 38.433 38.487 0.091 0.000 0.973 211 N HN 0.569 nan 8.380 nan 0.000 0.433 212 I N -2.651 118.030 120.570 0.186 0.000 4.181 212 I HA 0.245 4.423 4.170 0.013 0.000 0.331 212 I C 1.063 177.164 176.117 -0.027 0.000 1.312 212 I CA 0.164 61.596 61.300 0.220 0.000 1.146 212 I CB 0.266 38.356 38.000 0.150 0.000 1.074 212 I HN -0.101 nan 8.210 nan 0.000 0.402 213 M N -0.479 118.935 119.600 -0.310 0.000 4.307 213 M HA 0.519 5.007 4.480 0.013 0.000 0.538 213 M C 0.792 176.572 176.300 -0.867 0.000 1.979 213 M CA -0.095 54.538 55.300 -1.113 0.000 0.596 213 M CB -0.031 32.086 32.600 -0.806 0.000 1.471 213 M HN -0.059 nan 8.290 nan 0.000 0.585 214 G N 1.706 110.280 108.800 -0.375 0.000 2.475 214 G HA2 -0.239 3.729 3.960 0.013 0.000 0.220 214 G HA3 -0.239 3.729 3.960 0.013 0.000 0.220 214 G C 0.900 175.684 174.900 -0.194 0.000 1.125 214 G CA 1.519 46.524 45.100 -0.159 0.000 0.755 214 G HN 0.956 nan 8.290 nan 0.000 0.565 215 W N 0.941 122.195 121.300 -0.077 0.000 2.374 215 W HA 0.061 4.729 4.660 0.013 0.000 0.288 215 W C 2.323 178.758 176.519 -0.139 0.000 1.218 215 W CA 0.651 57.937 57.345 -0.098 0.000 1.245 215 W CB -0.350 29.057 29.460 -0.088 0.000 1.126 215 W HN 0.039 nan 8.180 nan 0.000 0.545 216 R N -0.377 119.712 120.500 -0.686 0.000 2.081 216 R HA -0.162 4.186 4.340 0.013 0.000 0.235 216 R C 2.127 178.102 176.300 -0.541 0.000 1.131 216 R CA 2.005 57.767 56.100 -0.564 0.000 0.960 216 R CB -1.031 28.789 30.300 -0.801 0.000 0.856 216 R HN 0.283 nan 8.270 nan 0.000 0.436 217 Y N 1.065 121.062 120.300 -0.505 0.000 2.200 217 Y HA -0.175 4.383 4.550 0.015 0.000 0.290 217 Y C 2.482 178.195 175.900 -0.313 0.000 1.137 217 Y CA 1.233 58.914 58.100 -0.699 0.000 1.163 217 Y CB -0.341 37.282 38.460 -1.396 0.000 0.988 217 Y HN 0.073 nan 8.280 nan 0.000 0.518 218 Q N -0.528 119.216 119.800 -0.093 0.000 2.170 218 Q HA -0.119 4.229 4.340 0.013 0.000 0.203 218 Q C 2.577 178.609 176.000 0.054 0.000 0.976 218 Q CA 1.209 57.028 55.803 0.026 0.000 0.858 218 Q CB -0.510 28.249 28.738 0.036 0.000 0.907 218 Q HN 0.602 nan 8.270 nan 0.000 0.433 219 G N 0.749 109.562 108.800 0.020 0.000 2.422 219 G HA2 -0.220 3.748 3.960 0.013 0.000 0.218 219 G HA3 -0.220 3.748 3.960 0.013 0.000 0.218 219 G C 1.367 176.296 174.900 0.048 0.000 1.146 219 G CA 0.560 45.681 45.100 0.035 0.000 0.769 219 G HN 0.244 nan 8.290 nan 0.000 0.547 220 I N 0.373 120.982 120.570 0.064 0.000 2.226 220 I HA -0.162 4.016 4.170 0.013 0.000 0.245 220 I C 2.774 178.994 176.117 0.172 0.000 1.100 220 I CA 0.472 61.860 61.300 0.147 0.000 1.374 220 I CB -0.299 37.877 38.000 0.293 0.000 1.057 220 I HN 0.020 nan 8.210 nan 0.000 0.413 221 V N 1.137 121.189 119.914 0.230 0.000 2.287 221 V HA -0.353 3.775 4.120 0.013 0.000 0.248 221 V C 2.552 178.699 176.094 0.088 0.000 1.053 221 V CA 2.241 64.637 62.300 0.160 0.000 1.027 221 V CB -0.738 31.194 31.823 0.180 0.000 0.646 221 V HN 0.441 nan 8.190 nan 0.000 0.447 222 K N 0.137 120.584 120.400 0.078 0.000 2.057 222 K HA -0.165 4.163 4.320 0.013 0.000 0.207 222 K C 2.180 178.805 176.600 0.042 0.000 1.049 222 K CA 1.550 57.868 56.287 0.052 0.000 0.931 222 K CB -0.331 32.197 32.500 0.046 0.000 0.714 222 K HN 0.419 nan 8.250 nan 0.000 0.440 223 A N 1.344 124.191 122.820 0.045 0.000 1.898 223 A HA -0.104 4.224 4.320 0.013 0.000 0.216 223 A C 2.124 179.727 177.584 0.030 0.000 1.181 223 A CA 1.238 53.295 52.037 0.035 0.000 0.620 223 A CB -0.608 18.413 19.000 0.035 0.000 0.819 223 A HN 0.322 nan 8.150 nan 0.000 0.442 224 L N -0.779 120.465 121.223 0.035 0.000 2.046 224 L HA -0.200 4.148 4.340 0.013 0.000 0.208 224 L C 2.563 179.443 176.870 0.016 0.000 1.077 224 L CA 1.659 56.512 54.840 0.021 0.000 0.747 224 L CB -0.453 41.614 42.059 0.013 0.000 0.896 224 L HN 0.370 nan 8.230 nan 0.000 0.432 225 K N 0.099 120.512 120.400 0.021 0.000 2.147 225 K HA -0.179 4.149 4.320 0.013 0.000 0.205 225 K C 1.720 178.329 176.600 0.015 0.000 1.049 225 K CA 1.296 57.593 56.287 0.017 0.000 0.936 225 K CB -0.024 32.489 32.500 0.022 0.000 0.722 225 K HN 0.390 nan 8.250 nan 0.000 0.446 226 E N -0.654 119.556 120.200 0.017 0.000 2.489 226 E HA 0.013 4.371 4.350 0.013 0.000 0.193 226 E C 0.695 177.302 176.600 0.012 0.000 1.057 226 E CA 0.269 56.678 56.400 0.014 0.000 0.866 226 E CB 0.426 30.136 29.700 0.016 0.000 0.916 226 E HN 0.462 nan 8.360 nan 0.000 0.500 227 G N 2.716 111.524 108.800 0.012 0.000 2.153 227 G HA2 -0.271 3.697 3.960 0.013 0.000 0.252 227 G HA3 -0.271 3.697 3.960 0.013 0.000 0.252 227 G C 0.016 174.922 174.900 0.011 0.000 0.994 227 G CA 0.441 45.547 45.100 0.010 0.000 0.698 227 G HN 0.292 nan 8.290 nan 0.000 0.521 228 D N 0.146 120.554 120.400 0.014 0.000 2.631 228 D HA 0.338 4.986 4.640 0.013 0.000 0.227 228 D C 1.659 177.968 176.300 0.016 0.000 1.146 228 D CA -0.433 53.575 54.000 0.014 0.000 1.009 228 D CB -0.362 40.447 40.800 0.015 0.000 1.057 228 D HN 0.319 nan 8.370 nan 0.000 0.509 229 I N 1.562 122.140 120.570 0.014 0.000 2.208 229 I HA -0.294 3.884 4.170 0.013 0.000 0.245 229 I C 1.915 178.041 176.117 0.015 0.000 1.097 229 I CA 1.268 62.577 61.300 0.014 0.000 1.363 229 I CB 0.273 38.280 38.000 0.012 0.000 1.051 229 I HN 0.319 nan 8.210 nan 0.000 0.413 230 Q N -0.332 119.476 119.800 0.013 0.000 2.119 230 Q HA -0.174 4.174 4.340 0.013 0.000 0.201 230 Q C 2.121 178.128 176.000 0.012 0.000 0.972 230 Q CA 2.158 57.968 55.803 0.012 0.000 0.847 230 Q CB -0.153 28.590 28.738 0.009 0.000 0.903 230 Q HN 0.546 nan 8.270 nan 0.000 0.433 231 T N 0.953 115.515 114.554 0.013 0.000 2.777 231 T HA -0.109 4.249 4.350 0.013 0.000 0.266 231 T C 1.900 176.609 174.700 0.015 0.000 1.040 231 T CA 1.163 63.271 62.100 0.014 0.000 1.141 231 T CB -0.214 68.663 68.868 0.016 0.000 0.868 231 T HN 0.368 nan 8.240 nan 0.000 0.444 232 A N 1.565 124.399 122.820 0.023 0.000 1.877 232 A HA -0.195 4.133 4.320 0.013 0.000 0.216 232 A C 2.300 179.903 177.584 0.031 0.000 1.186 232 A CA 1.645 53.703 52.037 0.035 0.000 0.620 232 A CB -0.740 18.285 19.000 0.042 0.000 0.822 232 A HN 0.535 nan 8.150 nan 0.000 0.443 233 Q N -0.709 119.106 119.800 0.025 0.000 2.096 233 Q HA -0.223 4.125 4.340 0.013 0.000 0.204 233 Q C 2.244 178.251 176.000 0.012 0.000 0.982 233 Q CA 1.842 57.659 55.803 0.022 0.000 0.850 233 Q CB -0.219 28.529 28.738 0.018 0.000 0.901 233 Q HN 0.725 nan 8.270 nan 0.000 0.422 234 K N 0.895 121.299 120.400 0.007 0.000 2.032 234 K HA -0.169 4.159 4.320 0.013 0.000 0.209 234 K C 2.038 178.628 176.600 -0.017 0.000 1.048 234 K CA 1.066 57.352 56.287 -0.001 0.000 0.927 234 K CB -0.093 32.408 32.500 0.002 0.000 0.712 234 K HN 0.148 nan 8.250 nan 0.000 0.441 235 L N 0.662 121.869 121.223 -0.027 0.000 2.046 235 L HA -0.214 4.135 4.340 0.013 0.000 0.208 235 L C 2.798 179.607 176.870 -0.102 0.000 1.077 235 L CA 1.303 56.097 54.840 -0.076 0.000 0.747 235 L CB -0.425 41.582 42.059 -0.088 0.000 0.896 235 L HN 0.302 nan 8.230 nan 0.000 0.432 236 Q N -0.229 119.548 119.800 -0.038 0.000 2.084 236 Q HA -0.173 4.175 4.340 0.013 0.000 0.202 236 Q C 2.085 178.082 176.000 -0.006 0.000 0.978 236 Q CA 2.329 58.130 55.803 -0.002 0.000 0.844 236 Q CB -0.341 28.438 28.738 0.068 0.000 0.898 236 Q HN 0.338 nan 8.270 nan 0.000 0.426 237 T N 0.991 115.543 114.554 -0.004 0.000 2.720 237 T HA -0.133 4.225 4.350 0.013 0.000 0.268 237 T C 1.368 176.059 174.700 -0.015 0.000 1.037 237 T CA 1.431 63.530 62.100 -0.001 0.000 1.144 237 T CB -0.176 68.693 68.868 0.002 0.000 0.864 237 T HN 0.314 nan 8.240 nan 0.000 0.444 238 E N 0.580 120.759 120.200 -0.036 0.000 2.072 238 E HA -0.070 4.288 4.350 0.013 0.000 0.191 238 E C 2.604 179.163 176.600 -0.068 0.000 0.985 238 E CA 0.639 57.011 56.400 -0.045 0.000 0.801 238 E CB -0.753 28.916 29.700 -0.052 0.000 0.750 238 E HN 0.494 nan 8.360 nan 0.000 0.452 239 C N 1.182 120.411 119.300 -0.119 0.000 2.413 239 C HA -0.133 4.335 4.460 0.013 0.000 0.276 239 C C 2.409 177.397 174.990 -0.004 0.000 1.248 239 C CA 0.844 59.793 59.018 -0.114 0.000 1.742 239 C CB -1.393 26.225 27.740 -0.204 0.000 2.017 239 C HN 0.514 nan 8.230 nan 0.000 0.481 240 N N 0.172 118.879 118.700 0.012 0.000 2.244 240 N HA -0.115 4.633 4.740 0.013 0.000 0.183 240 N C 1.714 177.233 175.510 0.015 0.000 1.016 240 N CA 0.824 53.892 53.050 0.030 0.000 0.866 240 N CB -0.108 38.399 38.487 0.033 0.000 0.980 240 N HN 0.605 nan 8.380 nan 0.000 0.430 241 K N 0.701 121.104 120.400 0.005 0.000 2.057 241 K HA -0.084 4.244 4.320 0.013 0.000 0.207 241 K C 2.026 178.630 176.600 0.006 0.000 1.049 241 K CA 0.918 57.209 56.287 0.005 0.000 0.931 241 K CB -0.093 32.409 32.500 0.004 0.000 0.714 241 K HN -0.006 nan 8.250 nan 0.000 0.440 242 V N 1.677 121.594 119.914 0.005 0.000 2.295 242 V HA -0.238 3.890 4.120 0.013 0.000 0.246 242 V C 2.161 178.262 176.094 0.013 0.000 1.049 242 V CA 1.648 63.953 62.300 0.010 0.000 1.024 242 V CB -0.386 31.441 31.823 0.007 0.000 0.648 242 V HN 0.267 nan 8.190 nan 0.000 0.447 243 I N 0.197 120.783 120.570 0.026 0.000 2.286 243 I HA -0.241 3.937 4.170 0.013 0.000 0.248 243 I C 2.276 178.393 176.117 -0.000 0.000 1.115 243 I CA 1.508 62.825 61.300 0.029 0.000 1.392 243 I CB -0.543 37.492 38.000 0.059 0.000 1.065 243 I HN 0.319 nan 8.210 nan 0.000 0.418 244 D N 0.741 121.139 120.400 -0.003 0.000 2.116 244 D HA -0.219 4.429 4.640 0.013 0.000 0.193 244 D C 1.978 178.253 176.300 -0.043 0.000 0.998 244 D CA 1.289 55.278 54.000 -0.018 0.000 0.836 244 D CB -0.402 40.393 40.800 -0.008 0.000 0.951 244 D HN 0.194 nan 8.370 nan 0.000 0.449 245 L N 0.481 121.678 121.223 -0.042 0.000 2.027 245 L HA -0.076 4.272 4.340 0.013 0.000 0.206 245 L C 2.143 178.931 176.870 -0.136 0.000 1.074 245 L CA 1.405 56.196 54.840 -0.082 0.000 0.745 245 L CB -0.637 41.398 42.059 -0.039 0.000 0.898 245 L HN 0.030 nan 8.230 nan 0.000 0.433 246 L N -0.946 120.229 121.223 -0.080 0.000 2.083 246 L HA -0.231 4.117 4.340 0.013 0.000 0.209 246 L C 2.538 179.344 176.870 -0.107 0.000 1.083 246 L CA 1.339 56.131 54.840 -0.081 0.000 0.752 246 L CB -0.503 41.542 42.059 -0.023 0.000 0.899 246 L HN 0.293 nan 8.230 nan 0.000 0.433 247 I N -0.344 120.173 120.570 -0.088 0.000 2.286 247 I HA -0.281 3.897 4.170 0.013 0.000 0.248 247 I C 2.549 178.595 176.117 -0.119 0.000 1.115 247 I CA 1.303 62.550 61.300 -0.087 0.000 1.392 247 I CB -0.216 37.750 38.000 -0.056 0.000 1.065 247 I HN 0.219 nan 8.210 nan 0.000 0.418 248 K N 0.198 120.494 120.400 -0.173 0.000 2.057 248 K HA -0.153 4.175 4.320 0.013 0.000 0.206 248 K C 2.116 178.470 176.600 -0.410 0.000 1.050 248 K CA 2.042 58.179 56.287 -0.250 0.000 0.935 248 K CB -0.306 32.005 32.500 -0.315 0.000 0.715 248 K HN 0.462 nan 8.250 nan 0.000 0.439 249 T N -2.157 112.099 114.554 -0.497 0.000 3.023 249 T HA 0.127 4.485 4.350 0.013 0.000 0.266 249 T C 0.823 175.438 174.700 -0.142 0.000 1.093 249 T CA 0.407 62.242 62.100 -0.443 0.000 1.129 249 T CB 0.093 68.763 68.868 -0.329 0.000 0.899 249 T HN 0.311 nan 8.240 nan 0.000 0.491 250 G N 0.036 108.759 108.800 -0.128 0.000 3.338 250 G HA2 -0.040 3.928 3.960 0.013 0.000 0.686 250 G HA3 -0.040 3.928 3.960 0.013 0.000 0.686 250 G C 0.191 175.013 174.900 -0.131 0.000 1.053 250 G CA -0.490 44.549 45.100 -0.101 0.000 0.852 250 G HN 0.243 nan 8.290 nan 0.000 0.545 251 V N 3.406 123.204 119.914 -0.193 0.000 2.244 251 V HA -0.058 4.070 4.120 0.013 0.000 0.244 251 V C 2.670 178.765 176.094 0.002 0.000 1.042 251 V CA 2.624 64.852 62.300 -0.120 0.000 1.006 251 V CB -0.778 30.963 31.823 -0.137 0.000 0.641 251 V HN 0.699 nan 8.190 nan 0.000 0.446 252 F N 1.541 121.406 119.950 -0.141 0.000 2.102 252 F HA -0.113 4.421 4.527 0.013 0.000 0.298 252 F C 2.635 178.334 175.800 -0.169 0.000 1.105 252 F CA 1.621 59.512 58.000 -0.183 0.000 1.239 252 F CB -1.304 37.514 39.000 -0.302 0.000 0.991 252 F HN 0.231 nan 8.300 nan 0.000 0.474 253 R N 0.307 120.798 120.500 -0.015 0.000 2.115 253 R HA 0.024 4.372 4.340 0.013 0.000 0.230 253 R C 2.415 178.711 176.300 -0.007 0.000 1.111 253 R CA 1.364 57.447 56.100 -0.028 0.000 0.976 253 R CB -1.511 28.765 30.300 -0.040 0.000 0.870 253 R HN 0.268 nan 8.270 nan 0.000 0.445 254 G N 2.152 110.948 108.800 -0.007 0.000 2.421 254 G HA2 -0.198 3.770 3.960 0.013 0.000 0.216 254 G HA3 -0.198 3.770 3.960 0.013 0.000 0.216 254 G C 1.561 176.478 174.900 0.029 0.000 1.171 254 G CA 0.744 45.848 45.100 0.008 0.000 0.775 254 G HN 0.174 nan 8.290 nan 0.000 0.543 255 L N -0.006 121.238 121.223 0.034 0.000 2.042 255 L HA -0.085 4.263 4.340 0.013 0.000 0.210 255 L C 2.974 179.848 176.870 0.007 0.000 1.076 255 L CA 1.431 56.292 54.840 0.037 0.000 0.749 255 L CB -0.283 41.806 42.059 0.050 0.000 0.893 255 L HN 0.171 nan 8.230 nan 0.000 0.432 256 K N -0.808 119.584 120.400 -0.013 0.000 2.097 256 K HA -0.120 4.208 4.320 0.013 0.000 0.206 256 K C 2.072 178.642 176.600 -0.051 0.000 1.049 256 K CA 1.685 57.944 56.287 -0.047 0.000 0.933 256 K CB -0.228 32.237 32.500 -0.059 0.000 0.717 256 K HN 0.295 nan 8.250 nan 0.000 0.442 257 T N 0.952 115.482 114.554 -0.040 0.000 2.777 257 T HA -0.091 4.267 4.350 0.013 0.000 0.266 257 T C 2.021 176.714 174.700 -0.012 0.000 1.040 257 T CA 1.021 63.077 62.100 -0.074 0.000 1.141 257 T CB -0.144 68.718 68.868 -0.010 0.000 0.868 257 T HN -0.066 nan 8.240 nan 0.000 0.444 258 V N 1.695 121.661 119.914 0.086 0.000 2.287 258 V HA -0.152 3.976 4.120 0.013 0.000 0.248 258 V C 2.473 178.606 176.094 0.065 0.000 1.053 258 V CA 1.588 63.978 62.300 0.149 0.000 1.027 258 V CB -0.699 31.196 31.823 0.121 0.000 0.646 258 V HN 0.432 nan 8.190 nan 0.000 0.447 259 L N -0.649 120.560 121.223 -0.024 0.000 2.191 259 L HA -0.204 4.144 4.340 0.013 0.000 0.212 259 L C 2.536 179.334 176.870 -0.120 0.000 1.103 259 L CA 1.702 56.460 54.840 -0.136 0.000 0.769 259 L CB -0.810 41.149 42.059 -0.166 0.000 0.908 259 L HN 0.508 nan 8.230 nan 0.000 0.438 260 H N -0.573 118.373 119.070 -0.205 0.000 2.326 260 H HA -0.196 4.368 4.556 0.014 0.000 0.301 260 H C 2.069 177.274 175.328 -0.205 0.000 1.081 260 H CA 1.877 57.770 56.048 -0.258 0.000 1.334 260 H CB 0.085 29.612 29.762 -0.392 0.000 1.385 260 H HN 0.262 nan 8.280 nan 0.000 0.504 261 Y N 0.363 120.617 120.300 -0.078 0.000 2.421 261 Y HA -0.077 4.482 4.550 0.015 0.000 0.292 261 Y C 2.435 178.270 175.900 -0.109 0.000 1.136 261 Y CA 0.675 58.707 58.100 -0.114 0.000 1.255 261 Y CB -0.235 38.222 38.460 -0.004 0.000 0.991 261 Y HN 0.220 nan 8.280 nan 0.000 0.552 262 M N -0.480 119.123 119.600 0.005 0.000 2.563 262 M HA -0.004 4.484 4.480 0.013 0.000 0.231 262 M C -0.162 176.070 176.300 -0.114 0.000 1.136 262 M CA 0.629 55.899 55.300 -0.051 0.000 1.026 262 M CB 0.153 32.668 32.600 -0.142 0.000 1.597 262 M HN 0.071 nan 8.290 nan 0.000 0.495 263 D N -1.225 119.089 120.400 -0.143 0.000 3.076 263 D HA -0.153 4.495 4.640 0.013 0.000 0.218 263 D C 0.856 177.076 176.300 -0.134 0.000 1.156 263 D CA 0.536 54.453 54.000 -0.138 0.000 0.921 263 D CB -1.435 39.319 40.800 -0.077 0.000 1.113 263 D HN 0.252 nan 8.370 nan 0.000 0.418 264 V N -0.619 119.178 119.914 -0.194 0.000 2.436 264 V HA -0.014 4.114 4.120 0.013 0.000 0.240 264 V C 1.299 177.319 176.094 -0.123 0.000 1.040 264 V CA 0.796 62.977 62.300 -0.199 0.000 1.052 264 V CB 0.448 32.033 31.823 -0.397 0.000 0.707 264 V HN 0.069 nan 8.190 nan 0.000 0.469 265 V N 0.796 120.650 119.914 -0.101 0.000 2.350 265 V HA 0.260 4.388 4.120 0.013 0.000 0.276 265 V C 1.166 177.301 176.094 0.068 0.000 1.028 265 V CA 0.153 62.427 62.300 -0.043 0.000 0.860 265 V CB 1.189 32.974 31.823 -0.064 0.000 0.990 265 V HN 0.344 nan 8.190 nan 0.000 0.453 266 S N 3.734 119.464 115.700 0.050 0.000 2.368 266 S HA -0.027 4.451 4.470 0.013 0.000 0.225 266 S C 0.596 175.259 174.600 0.104 0.000 1.030 266 S CA 0.997 59.259 58.200 0.104 0.000 0.999 266 S CB 0.138 63.361 63.200 0.039 0.000 0.844 266 S HN 0.552 nan 8.310 nan 0.000 0.459 267 V N 3.090 122.996 119.914 -0.013 0.000 2.447 267 V HA 0.306 4.434 4.120 0.013 0.000 0.292 267 V C -2.432 173.587 176.094 -0.125 0.000 1.021 267 V CA -1.518 60.715 62.300 -0.111 0.000 0.850 267 V CB 1.933 33.735 31.823 -0.035 0.000 1.005 267 V HN 0.103 nan 8.190 nan 0.000 0.426 268 P HA 0.239 nan 4.420 nan 0.000 0.236 268 P C -0.186 177.073 177.300 -0.068 0.000 1.709 268 P CA -0.033 62.971 63.100 -0.159 0.000 0.942 268 P CB 0.213 31.764 31.700 -0.247 0.000 1.615 269 L N -0.093 121.128 121.223 -0.003 0.000 2.350 269 L HA 0.304 4.652 4.340 0.013 0.000 0.275 269 L C 0.909 177.879 176.870 0.167 0.000 1.099 269 L CA -0.662 54.215 54.840 0.062 0.000 0.808 269 L CB 0.912 43.010 42.059 0.064 0.000 1.149 269 L HN 0.052 nan 8.230 nan 0.000 0.442 270 C N 1.606 120.987 119.300 0.134 0.000 2.403 270 C HA 0.385 4.853 4.460 0.013 0.000 0.361 270 C C 0.829 175.938 174.990 0.198 0.000 1.274 270 C CA -0.755 58.382 59.018 0.198 0.000 2.433 270 C CB 0.945 28.636 27.740 -0.082 0.000 2.323 270 C HN 0.729 nan 8.230 nan 0.000 0.614 271 R N 1.130 121.735 120.500 0.175 0.000 2.441 271 R HA 0.188 4.536 4.340 0.013 0.000 0.284 271 R C -0.123 176.266 176.300 0.148 0.000 1.070 271 R CA -0.424 55.653 56.100 -0.039 0.000 1.047 271 R CB 0.511 30.641 30.300 -0.283 0.000 1.016 271 R HN 0.550 nan 8.270 nan 0.000 0.477 272 K N 3.387 123.806 120.400 0.033 0.000 2.489 272 K HA 0.002 4.330 4.320 0.013 0.000 0.278 272 K C -1.505 175.087 176.600 -0.012 0.000 1.000 272 K CA -0.734 55.569 56.287 0.026 0.000 1.012 272 K CB 0.458 32.953 32.500 -0.009 0.000 0.903 272 K HN 0.487 nan 8.250 nan 0.000 0.485 273 P HA 0.078 nan 4.420 nan 0.000 0.255 273 P C -0.218 177.038 177.300 -0.074 0.000 1.248 273 P CA -0.165 62.885 63.100 -0.084 0.000 0.807 273 P CB 0.202 31.828 31.700 -0.122 0.000 1.150 274 F N 1.561 121.529 119.950 0.031 0.000 2.608 274 F HA 0.291 4.824 4.527 0.010 0.000 0.380 274 F C 1.838 177.655 175.800 0.028 0.000 1.083 274 F CA 0.628 58.652 58.000 0.039 0.000 1.266 274 F CB 0.050 39.095 39.000 0.075 0.000 1.076 274 F HN -0.068 nan 8.300 nan 0.000 0.574 275 G N 3.251 112.184 108.800 0.221 0.000 2.535 275 G HA2 0.608 4.576 3.960 0.013 0.000 0.303 275 G HA3 0.608 4.576 3.960 0.013 0.000 0.303 275 G C -2.633 172.343 174.900 0.126 0.000 1.237 275 G CA -1.348 43.832 45.100 0.133 0.000 0.986 275 G HN 0.416 nan 8.290 nan 0.000 0.494 276 P HA 0.251 nan 4.420 nan 0.000 0.274 276 P C -0.040 177.308 177.300 0.080 0.000 1.246 276 P CA -0.430 62.709 63.100 0.065 0.000 0.795 276 P CB 0.940 32.665 31.700 0.043 0.000 1.006 277 V N 1.728 121.687 119.914 0.075 0.000 2.655 277 V HA -0.035 4.093 4.120 0.013 0.000 0.300 277 V C 1.104 177.281 176.094 0.138 0.000 1.044 277 V CA 0.189 62.560 62.300 0.119 0.000 1.095 277 V CB -0.210 31.684 31.823 0.118 0.000 0.952 277 V HN 0.619 nan 8.190 nan 0.000 0.485 278 D N 3.819 124.340 120.400 0.202 0.000 2.434 278 D HA -0.032 4.616 4.640 0.013 0.000 0.252 278 D C 1.307 177.645 176.300 0.063 0.000 1.185 278 D CA 0.265 54.331 54.000 0.109 0.000 0.886 278 D CB 0.844 41.682 40.800 0.064 0.000 1.148 278 D HN 0.664 nan 8.370 nan 0.000 0.483 279 E N 3.098 123.310 120.200 0.021 0.000 2.187 279 E HA -0.267 4.091 4.350 0.013 0.000 0.199 279 E C 1.800 178.387 176.600 -0.021 0.000 1.004 279 E CA 1.133 57.546 56.400 0.021 0.000 0.813 279 E CB 0.052 29.758 29.700 0.010 0.000 0.736 279 E HN 0.646 nan 8.360 nan 0.000 0.468 280 K N 0.038 120.350 120.400 -0.146 0.000 2.280 280 K HA -0.167 4.161 4.320 0.013 0.000 0.202 280 K C 1.183 177.656 176.600 -0.211 0.000 1.047 280 K CA 1.307 57.454 56.287 -0.234 0.000 0.942 280 K CB -0.224 32.050 32.500 -0.376 0.000 0.739 280 K HN 0.168 nan 8.250 nan 0.000 0.457 281 Y N 1.396 121.722 120.300 0.044 0.000 2.482 281 Y HA 0.195 4.753 4.550 0.013 0.000 0.270 281 Y C 1.859 177.802 175.900 0.070 0.000 1.152 281 Y CA -0.275 57.855 58.100 0.050 0.000 1.292 281 Y CB -0.082 38.408 38.460 0.050 0.000 1.070 281 Y HN -0.080 nan 8.280 nan 0.000 0.528 282 L N 0.326 121.667 121.223 0.197 0.000 2.012 282 L HA -0.166 4.182 4.340 0.013 0.000 0.210 282 L C -0.314 176.617 176.870 0.102 0.000 1.073 282 L CA 1.321 56.286 54.840 0.208 0.000 0.748 282 L CB -1.728 40.458 42.059 0.211 0.000 0.891 282 L HN 0.155 nan 8.230 nan 0.000 0.431 283 P HA -0.200 nan 4.420 nan 0.000 0.215 283 P C 1.321 178.622 177.300 0.002 0.000 1.157 283 P CA 1.437 64.532 63.100 -0.007 0.000 0.874 283 P CB 0.050 31.754 31.700 0.006 0.000 0.790 284 E N -0.851 119.388 120.200 0.064 0.000 2.110 284 E HA -0.135 4.224 4.350 0.013 0.000 0.193 284 E C 2.011 178.652 176.600 0.068 0.000 0.988 284 E CA 0.881 57.323 56.400 0.071 0.000 0.804 284 E CB -0.579 29.190 29.700 0.115 0.000 0.745 284 E HN 0.219 nan 8.360 nan 0.000 0.458 285 L N 0.744 122.033 121.223 0.110 0.000 2.109 285 L HA -0.143 4.205 4.340 0.013 0.000 0.207 285 L C 2.566 179.505 176.870 0.114 0.000 1.086 285 L CA 1.012 55.947 54.840 0.158 0.000 0.760 285 L CB -0.263 41.953 42.059 0.262 0.000 0.910 285 L HN 0.026 nan 8.230 nan 0.000 0.437 286 K N 0.483 120.813 120.400 -0.116 0.000 2.057 286 K HA -0.176 4.152 4.320 0.013 0.000 0.207 286 K C 2.150 178.646 176.600 -0.173 0.000 1.049 286 K CA 1.342 57.347 56.287 -0.469 0.000 0.931 286 K CB -0.078 31.947 32.500 -0.791 0.000 0.714 286 K HN 0.256 nan 8.250 nan 0.000 0.440 287 A N 1.189 123.956 122.820 -0.088 0.000 1.933 287 A HA -0.141 4.188 4.320 0.013 0.000 0.218 287 A C 2.007 179.599 177.584 0.013 0.000 1.175 287 A CA 1.211 53.229 52.037 -0.032 0.000 0.628 287 A CB -0.556 18.436 19.000 -0.014 0.000 0.814 287 A HN 0.386 nan 8.150 nan 0.000 0.444 288 L N -0.119 121.126 121.223 0.037 0.000 2.046 288 L HA -0.066 4.282 4.340 0.013 0.000 0.208 288 L C 2.653 179.581 176.870 0.097 0.000 1.077 288 L CA 2.184 57.065 54.840 0.068 0.000 0.747 288 L CB -0.929 41.176 42.059 0.076 0.000 0.896 288 L HN 0.343 nan 8.230 nan 0.000 0.432 289 A N -1.055 121.829 122.820 0.107 0.000 1.883 289 A HA -0.271 4.057 4.320 0.013 0.000 0.217 289 A C 2.190 179.842 177.584 0.112 0.000 1.186 289 A CA 1.977 54.097 52.037 0.138 0.000 0.624 289 A CB -0.628 18.480 19.000 0.180 0.000 0.822 289 A HN 0.671 nan 8.150 nan 0.000 0.444 290 Q N -1.078 118.759 119.800 0.061 0.000 2.050 290 Q HA -0.252 4.096 4.340 0.013 0.000 0.202 290 Q C 2.390 178.428 176.000 0.063 0.000 0.980 290 Q CA 1.640 57.471 55.803 0.047 0.000 0.840 290 Q CB -0.277 28.466 28.738 0.009 0.000 0.898 290 Q HN 0.864 nan 8.270 nan 0.000 0.424 291 Q N 0.768 120.609 119.800 0.067 0.000 2.045 291 Q HA -0.196 4.153 4.340 0.013 0.000 0.206 291 Q C 2.145 178.221 176.000 0.127 0.000 0.991 291 Q CA 1.277 57.128 55.803 0.080 0.000 0.851 291 Q CB -0.086 28.695 28.738 0.073 0.000 0.911 291 Q HN 0.373 nan 8.270 nan 0.000 0.418 292 L N -0.201 121.131 121.223 0.181 0.000 2.093 292 L HA -0.181 4.167 4.340 0.013 0.000 0.208 292 L C 2.610 179.644 176.870 0.274 0.000 1.085 292 L CA 0.529 55.560 54.840 0.319 0.000 0.755 292 L CB -0.344 41.940 42.059 0.373 0.000 0.904 292 L HN 0.358 nan 8.230 nan 0.000 0.435 293 M N -0.658 119.053 119.600 0.186 0.000 2.175 293 M HA -0.163 4.325 4.480 0.013 0.000 0.264 293 M C 2.321 178.634 176.300 0.022 0.000 1.063 293 M CA 1.569 56.936 55.300 0.111 0.000 1.119 293 M CB -0.973 31.693 32.600 0.110 0.000 1.377 293 M HN 0.298 nan 8.290 nan 0.000 0.415 294 Q N -0.298 119.523 119.800 0.034 0.000 2.119 294 Q HA -0.189 4.159 4.340 0.013 0.000 0.201 294 Q C 1.944 177.928 176.000 -0.028 0.000 0.972 294 Q CA 1.309 57.113 55.803 0.002 0.000 0.847 294 Q CB -0.328 28.420 28.738 0.017 0.000 0.903 294 Q HN 0.645 nan 8.270 nan 0.000 0.433 295 E N 0.576 120.777 120.200 0.003 0.000 2.106 295 E HA -0.127 4.231 4.350 0.013 0.000 0.192 295 E C 0.942 177.394 176.600 -0.246 0.000 0.984 295 E CA 0.218 56.607 56.400 -0.019 0.000 0.806 295 E CB 0.306 30.108 29.700 0.169 0.000 0.750 295 E HN -0.033 nan 8.360 nan 0.000 0.458 296 R N 0.000 120.240 120.500 -0.434 0.000 2.786 296 R HA 0.000 4.348 4.340 0.013 0.000 0.208 296 R CA 0.000 55.642 56.100 -0.764 0.000 0.921 296 R CB 0.000 29.691 30.300 -1.015 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535