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 1oe4_1_A DATA FIRST_RESID 36 DATA SEQUENCE ESPADSFLKV ELELNLKLSN LVFQDPVQYV YNPLVYAWAP HENYVQTYCK DATA SEQUENCE SKKEVLFLGM NPGPFGMAQT GVPFGEVNHV RDWLQIEGPV SKPEVEHPKR DATA SEQUENCE RIRGFECPQS EVSGARFWSL FKSLCGQPET FFKHCFVHNH CPLIFMNHSG DATA SEQUENCE KNLTPTDLPK AQRDTLLEIC DEALCQAVRV LGVKLVIGVG RFSEQRARKA DATA SEQUENCE LMAEGIDVTV KGIMHPSPRN PQANKGWEGI VRGQLLELGV LSLLT 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 36 E HA 0.000 nan 4.350 nan 0.000 0.291 36 E C 0.000 176.578 176.600 -0.036 0.000 1.382 36 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 36 E CB 0.000 29.691 29.700 -0.016 0.000 0.812 37 S N 1.943 117.616 115.700 -0.044 0.000 2.475 37 S HA 0.360 4.831 4.470 0.002 0.000 0.281 37 S C -1.713 172.851 174.600 -0.061 0.000 1.198 37 S CA -1.242 56.917 58.200 -0.067 0.000 1.063 37 S CB 0.752 63.906 63.200 -0.077 0.000 0.972 37 S HN 0.341 nan 8.310 nan 0.000 0.486 38 P HA 0.192 nan 4.420 nan 0.000 0.249 38 P C 1.137 178.411 177.300 -0.042 0.000 1.229 38 P CA 0.177 63.245 63.100 -0.053 0.000 0.788 38 P CB -0.064 31.592 31.700 -0.073 0.000 1.072 39 A N 1.404 124.167 122.820 -0.094 0.000 1.873 39 A HA -0.227 4.094 4.320 0.002 0.000 0.218 39 A C 2.009 179.621 177.584 0.046 0.000 1.193 39 A CA 2.155 54.144 52.037 -0.081 0.000 0.629 39 A CB -1.274 17.648 19.000 -0.130 0.000 0.826 39 A HN 0.085 nan 8.150 nan 0.000 0.447 40 D N -0.377 120.043 120.400 0.034 0.000 2.117 40 D HA -0.067 4.573 4.640 0.002 0.000 0.197 40 D C 2.315 178.672 176.300 0.094 0.000 0.987 40 D CA 1.526 55.568 54.000 0.069 0.000 0.829 40 D CB -0.373 40.453 40.800 0.042 0.000 0.961 40 D HN 0.379 nan 8.370 nan 0.000 0.460 41 S N -0.052 115.695 115.700 0.079 0.000 2.382 41 S HA -0.121 4.350 4.470 0.002 0.000 0.228 41 S C 1.685 176.352 174.600 0.112 0.000 1.027 41 S CA 0.382 58.629 58.200 0.079 0.000 0.991 41 S CB -0.290 62.946 63.200 0.061 0.000 0.823 41 S HN 0.265 nan 8.310 nan 0.000 0.469 42 F N 2.226 122.175 119.950 -0.002 0.000 2.102 42 F HA -0.031 4.497 4.527 0.002 0.000 0.298 42 F C 1.785 177.650 175.800 0.108 0.000 1.105 42 F CA 1.211 59.218 58.000 0.013 0.000 1.239 42 F CB -0.309 38.650 39.000 -0.067 0.000 0.991 42 F HN 0.085 nan 8.300 nan 0.000 0.474 43 L N 0.152 121.531 121.223 0.261 0.000 2.083 43 L HA -0.237 4.104 4.340 0.002 0.000 0.209 43 L C 2.442 179.458 176.870 0.243 0.000 1.083 43 L CA 1.383 56.423 54.840 0.334 0.000 0.752 43 L CB -0.690 41.602 42.059 0.387 0.000 0.899 43 L HN 0.075 nan 8.230 nan 0.000 0.433 44 K N -0.352 120.127 120.400 0.130 0.000 2.097 44 K HA -0.118 4.203 4.320 0.002 0.000 0.205 44 K C 2.074 178.680 176.600 0.009 0.000 1.050 44 K CA 1.085 57.411 56.287 0.065 0.000 0.938 44 K CB -0.164 32.365 32.500 0.048 0.000 0.718 44 K HN 0.145 nan 8.250 nan 0.000 0.442 45 V N 1.907 121.794 119.914 -0.045 0.000 2.343 45 V HA -0.231 3.890 4.120 0.002 0.000 0.247 45 V C 2.037 178.080 176.094 -0.085 0.000 1.051 45 V CA 1.747 63.990 62.300 -0.095 0.000 1.036 45 V CB -0.380 31.331 31.823 -0.186 0.000 0.654 45 V HN 0.345 nan 8.190 nan 0.000 0.451 46 E N -0.045 120.101 120.200 -0.090 0.000 2.077 46 E HA -0.177 4.174 4.350 0.002 0.000 0.193 46 E C 2.247 178.876 176.600 0.049 0.000 0.989 46 E CA 1.169 57.591 56.400 0.037 0.000 0.800 46 E CB -0.193 29.637 29.700 0.216 0.000 0.746 46 E HN 0.504 nan 8.360 nan 0.000 0.452 47 L N 0.882 122.116 121.223 0.019 0.000 2.083 47 L HA -0.184 4.157 4.340 0.002 0.000 0.209 47 L C 2.659 179.484 176.870 -0.076 0.000 1.083 47 L CA 1.126 55.896 54.840 -0.117 0.000 0.752 47 L CB -0.329 41.633 42.059 -0.161 0.000 0.899 47 L HN 0.183 nan 8.230 nan 0.000 0.433 48 E N 0.528 120.705 120.200 -0.039 0.000 2.072 48 E HA -0.262 4.089 4.350 0.002 0.000 0.191 48 E C 2.234 178.823 176.600 -0.018 0.000 0.985 48 E CA 0.976 57.359 56.400 -0.028 0.000 0.801 48 E CB 0.005 29.695 29.700 -0.018 0.000 0.750 48 E HN 0.276 nan 8.360 nan 0.000 0.452 49 L N 1.848 123.065 121.223 -0.010 0.000 2.012 49 L HA -0.189 4.152 4.340 0.002 0.000 0.210 49 L C 1.753 178.628 176.870 0.009 0.000 1.073 49 L CA 1.855 56.699 54.840 0.007 0.000 0.748 49 L CB -0.803 41.268 42.059 0.019 0.000 0.891 49 L HN 0.120 nan 8.230 nan 0.000 0.431 50 N N -0.394 118.300 118.700 -0.010 0.000 2.104 50 N HA -0.214 4.527 4.740 0.002 0.000 0.190 50 N C 1.787 177.287 175.510 -0.017 0.000 1.024 50 N CA 1.666 54.704 53.050 -0.020 0.000 0.853 50 N CB -0.598 37.844 38.487 -0.074 0.000 1.008 50 N HN 0.354 nan 8.380 nan 0.000 0.424 51 L N 1.598 122.803 121.223 -0.031 0.000 2.017 51 L HA -0.125 4.216 4.340 0.002 0.000 0.208 51 L C 1.803 178.671 176.870 -0.003 0.000 1.073 51 L CA 1.805 56.631 54.840 -0.024 0.000 0.745 51 L CB -0.452 41.588 42.059 -0.032 0.000 0.894 51 L HN 0.042 nan 8.230 nan 0.000 0.432 52 K N -0.734 119.669 120.400 0.005 0.000 2.097 52 K HA -0.135 4.186 4.320 0.002 0.000 0.206 52 K C 2.079 178.699 176.600 0.034 0.000 1.049 52 K CA 1.631 57.927 56.287 0.016 0.000 0.933 52 K CB -0.323 32.188 32.500 0.019 0.000 0.717 52 K HN 0.365 nan 8.250 nan 0.000 0.442 53 L N 1.076 122.331 121.223 0.055 0.000 2.156 53 L HA -0.139 4.202 4.340 0.002 0.000 0.208 53 L C 2.600 179.531 176.870 0.101 0.000 1.095 53 L CA 1.119 56.021 54.840 0.103 0.000 0.770 53 L CB -0.577 41.555 42.059 0.123 0.000 0.914 53 L HN 0.251 nan 8.230 nan 0.000 0.439 54 S N -0.580 115.156 115.700 0.060 0.000 2.442 54 S HA -0.123 4.348 4.470 0.002 0.000 0.236 54 S C 1.580 176.205 174.600 0.043 0.000 1.007 54 S CA 1.005 59.238 58.200 0.054 0.000 0.965 54 S CB -0.361 62.853 63.200 0.024 0.000 0.773 54 S HN 0.443 nan 8.310 nan 0.000 0.504 55 N N 1.107 119.821 118.700 0.023 0.000 2.412 55 N HA 0.272 5.013 4.740 0.002 0.000 0.184 55 N C 0.117 175.612 175.510 -0.026 0.000 1.101 55 N CA 0.120 53.170 53.050 0.001 0.000 0.881 55 N CB -0.153 38.330 38.487 -0.007 0.000 0.969 55 N HN 0.478 nan 8.380 nan 0.000 0.459 56 L N 1.121 122.324 121.223 -0.032 0.000 2.417 56 L HA 0.219 4.560 4.340 0.002 0.000 0.268 56 L C -0.001 176.764 176.870 -0.176 0.000 1.158 56 L CA -0.265 54.475 54.840 -0.166 0.000 0.819 56 L CB 1.007 42.911 42.059 -0.258 0.000 1.112 56 L HN -0.262 nan 8.230 nan 0.000 0.458 57 V N 2.857 122.592 119.914 -0.299 0.000 2.444 57 V HA 0.408 4.529 4.120 0.002 0.000 0.294 57 V C -0.358 175.548 176.094 -0.313 0.000 1.022 57 V CA -0.480 61.718 62.300 -0.170 0.000 0.850 57 V CB 1.412 33.184 31.823 -0.086 0.000 0.992 57 V HN 0.382 nan 8.190 nan 0.000 0.426 58 F N 3.496 123.476 119.950 0.050 0.000 2.450 58 F HA 0.774 5.301 4.527 0.001 0.000 0.328 58 F C 0.565 176.373 175.800 0.012 0.000 1.068 58 F CA -0.345 57.678 58.000 0.038 0.000 1.007 58 F CB 1.601 40.656 39.000 0.092 0.000 1.251 58 F HN 0.574 nan 8.300 nan 0.000 0.492 59 Q N 0.051 119.963 119.800 0.186 0.000 2.878 59 Q HA 0.496 4.837 4.340 0.002 0.000 0.341 59 Q C -1.240 174.801 176.000 0.068 0.000 0.824 59 Q CA -0.678 55.179 55.803 0.090 0.000 0.811 59 Q CB 2.064 30.826 28.738 0.040 0.000 1.364 59 Q HN 0.630 nan 8.270 nan 0.000 0.514 60 D N -0.418 120.002 120.400 0.034 0.000 5.007 60 D HA -0.160 4.481 4.640 0.002 0.000 0.136 60 D C -1.689 174.623 176.300 0.021 0.000 0.632 60 D CA 2.055 56.067 54.000 0.019 0.000 1.164 60 D CB -1.922 38.888 40.800 0.016 0.000 0.771 60 D HN 0.605 nan 8.370 nan 0.000 0.574 61 P HA 0.248 nan 4.420 nan 0.000 0.239 61 P C 0.027 177.362 177.300 0.058 0.000 1.188 61 P CA 0.311 63.438 63.100 0.045 0.000 0.794 61 P CB 0.266 31.985 31.700 0.030 0.000 0.937 62 V N 2.627 122.566 119.914 0.041 0.000 2.450 62 V HA 0.002 4.123 4.120 0.002 0.000 0.281 62 V C 1.507 177.634 176.094 0.054 0.000 1.019 62 V CA 0.670 63.005 62.300 0.058 0.000 1.062 62 V CB 0.697 32.561 31.823 0.070 0.000 0.979 62 V HN 0.131 nan 8.190 nan 0.000 0.477 63 Q N 3.391 123.215 119.800 0.041 0.000 2.391 63 Q HA 0.231 4.572 4.340 0.002 0.000 0.243 63 Q C -0.658 175.050 176.000 -0.487 0.000 0.874 63 Q CA 0.643 56.344 55.803 -0.170 0.000 0.950 63 Q CB 1.181 29.852 28.738 -0.111 0.000 1.103 63 Q HN 0.787 nan 8.270 nan 0.000 0.544 64 Y N -0.489 119.839 120.300 0.048 0.000 2.477 64 Y HA 0.524 5.074 4.550 0.001 0.000 0.347 64 Y C -0.471 175.373 175.900 -0.094 0.000 0.981 64 Y CA -1.088 57.016 58.100 0.005 0.000 1.033 64 Y CB 2.187 40.618 38.460 -0.049 0.000 1.245 64 Y HN -0.396 nan 8.280 nan 0.000 0.455 65 V N 3.526 123.489 119.914 0.082 0.000 2.524 65 V HA 0.381 4.502 4.120 0.002 0.000 0.297 65 V C -1.415 174.761 176.094 0.137 0.000 1.035 65 V CA -1.099 61.143 62.300 -0.096 0.000 0.867 65 V CB 1.126 32.920 31.823 -0.049 0.000 1.004 65 V HN 0.502 nan 8.190 nan 0.000 0.426 66 Y N 2.551 122.771 120.300 -0.133 0.000 2.377 66 Y HA 0.557 5.108 4.550 0.002 0.000 0.339 66 Y C 0.361 176.247 175.900 -0.023 0.000 1.011 66 Y CA -2.086 56.029 58.100 0.026 0.000 1.093 66 Y CB 1.700 40.219 38.460 0.099 0.000 1.201 66 Y HN 0.628 nan 8.280 nan 0.000 0.455 67 N N 5.193 124.037 118.700 0.241 0.000 2.626 67 N HA 0.292 5.033 4.740 0.002 0.000 0.242 67 N C -2.251 173.120 175.510 -0.232 0.000 1.005 67 N CA -2.506 50.555 53.050 0.019 0.000 0.905 67 N CB 1.572 40.067 38.487 0.012 0.000 1.128 67 N HN 0.184 nan 8.380 nan 0.000 0.512 68 P HA -0.060 nan 4.420 nan 0.000 0.228 68 P C 1.033 178.034 177.300 -0.500 0.000 1.151 68 P CA 0.702 63.208 63.100 -0.989 0.000 0.770 68 P CB 0.475 31.866 31.700 -0.515 0.000 0.786 69 L N -1.387 119.698 121.223 -0.229 0.000 2.610 69 L HA 0.003 4.343 4.340 0.002 0.000 0.232 69 L C 2.098 179.039 176.870 0.118 0.000 1.149 69 L CA 0.300 55.154 54.840 0.023 0.000 0.872 69 L CB -0.334 41.752 42.059 0.045 0.000 0.992 69 L HN -0.118 nan 8.230 nan 0.000 0.447 70 V N -0.935 118.952 119.914 -0.044 0.000 2.502 70 V HA -0.201 3.920 4.120 0.002 0.000 0.234 70 V C 2.012 178.148 176.094 0.069 0.000 1.072 70 V CA 1.047 63.353 62.300 0.010 0.000 1.094 70 V CB -0.599 31.243 31.823 0.031 0.000 0.761 70 V HN 0.409 nan 8.190 nan 0.000 0.489 71 Y N 1.039 121.382 120.300 0.072 0.000 2.516 71 Y HA 0.483 5.034 4.550 0.002 0.000 0.291 71 Y C 1.417 177.373 175.900 0.093 0.000 1.131 71 Y CA 0.769 58.903 58.100 0.057 0.000 1.281 71 Y CB -0.488 37.963 38.460 -0.014 0.000 1.013 71 Y HN 0.105 nan 8.280 nan 0.000 0.554 72 A N 0.489 123.218 122.820 -0.152 0.000 2.749 72 A HA 0.147 4.468 4.320 0.002 0.000 0.299 72 A C 1.171 178.825 177.584 0.117 0.000 1.105 72 A CA -0.576 51.468 52.037 0.011 0.000 0.987 72 A CB -1.361 17.582 19.000 -0.095 0.000 1.180 72 A HN 0.764 nan 8.150 nan 0.000 0.528 73 W N 0.624 121.930 121.300 0.011 0.000 2.363 73 W HA -0.246 4.415 4.660 0.002 0.000 0.296 73 W C 1.656 178.269 176.519 0.156 0.000 1.212 73 W CA 1.841 59.239 57.345 0.089 0.000 1.260 73 W CB -0.152 29.348 29.460 0.067 0.000 1.131 73 W HN 0.520 nan 8.180 nan 0.000 0.530 74 A N 1.841 124.755 122.820 0.158 0.000 1.851 74 A HA -0.214 4.107 4.320 0.002 0.000 0.216 74 A C -0.085 177.499 177.584 0.001 0.000 1.195 74 A CA 2.187 54.260 52.037 0.059 0.000 0.622 74 A CB -2.293 16.783 19.000 0.127 0.000 0.831 74 A HN 0.243 nan 8.150 nan 0.000 0.444 75 P HA -0.195 nan 4.420 nan 0.000 0.218 75 P C 1.387 178.741 177.300 0.091 0.000 1.149 75 P CA 1.585 64.766 63.100 0.137 0.000 0.817 75 P CB -0.413 31.495 31.700 0.347 0.000 0.785 76 H N 0.816 119.850 119.070 -0.060 0.000 2.321 76 H HA -0.120 4.437 4.556 0.002 0.000 0.300 76 H C 2.049 177.283 175.328 -0.156 0.000 1.087 76 H CA 1.761 57.764 56.048 -0.075 0.000 1.319 76 H CB 0.009 29.679 29.762 -0.154 0.000 1.379 76 H HN 0.134 nan 8.280 nan 0.000 0.501 77 E N 0.371 120.263 120.200 -0.514 0.000 2.153 77 E HA -0.156 4.195 4.350 0.002 0.000 0.194 77 E C 1.933 178.371 176.600 -0.269 0.000 0.988 77 E CA 0.966 57.047 56.400 -0.533 0.000 0.811 77 E CB -0.036 29.298 29.700 -0.609 0.000 0.746 77 E HN 0.563 nan 8.360 nan 0.000 0.466 78 N N -0.894 117.702 118.700 -0.173 0.000 2.084 78 N HA -0.219 4.522 4.740 0.002 0.000 0.190 78 N C 1.782 177.220 175.510 -0.120 0.000 1.030 78 N CA 1.190 54.165 53.050 -0.125 0.000 0.849 78 N CB -0.232 38.213 38.487 -0.070 0.000 1.012 78 N HN 0.228 nan 8.380 nan 0.000 0.423 79 Y N 1.825 122.019 120.300 -0.176 0.000 2.128 79 Y HA -0.207 4.344 4.550 0.001 0.000 0.284 79 Y C 2.075 177.913 175.900 -0.102 0.000 1.154 79 Y CA 1.220 59.258 58.100 -0.104 0.000 1.149 79 Y CB -0.593 37.829 38.460 -0.064 0.000 0.976 79 Y HN -0.183 nan 8.280 nan 0.000 0.505 80 V N 0.861 120.579 119.914 -0.326 0.000 2.307 80 V HA -0.272 3.849 4.120 0.002 0.000 0.245 80 V C 2.401 178.292 176.094 -0.339 0.000 1.045 80 V CA 2.132 64.219 62.300 -0.354 0.000 1.024 80 V CB -0.696 31.015 31.823 -0.188 0.000 0.651 80 V HN 0.420 nan 8.190 nan 0.000 0.449 81 Q N -0.263 119.374 119.800 -0.272 0.000 2.170 81 Q HA -0.151 4.190 4.340 0.002 0.000 0.203 81 Q C 2.283 178.091 176.000 -0.320 0.000 0.976 81 Q CA 1.952 57.609 55.803 -0.244 0.000 0.858 81 Q CB -0.588 28.042 28.738 -0.180 0.000 0.907 81 Q HN 0.636 nan 8.270 nan 0.000 0.433 82 T N -0.456 113.831 114.554 -0.444 0.000 2.937 82 T HA -0.050 4.301 4.350 0.002 0.000 0.260 82 T C 0.679 174.903 174.700 -0.793 0.000 1.051 82 T CA 0.909 62.600 62.100 -0.683 0.000 1.141 82 T CB -0.049 68.239 68.868 -0.967 0.000 0.879 82 T HN 0.237 nan 8.240 nan 0.000 0.459 83 Y N -0.764 119.250 120.300 -0.476 0.000 2.588 83 Y HA 0.428 4.979 4.550 0.001 0.000 0.247 83 Y C 0.880 176.542 175.900 -0.398 0.000 1.157 83 Y CA -1.482 56.272 58.100 -0.577 0.000 1.215 83 Y CB 0.339 38.000 38.460 -1.330 0.000 1.245 83 Y HN 0.155 nan 8.280 nan 0.000 0.534 84 C N 1.245 120.324 119.300 -0.369 0.000 3.163 84 C HA 0.346 4.807 4.460 0.002 0.000 0.228 84 C C 1.151 175.931 174.990 -0.350 0.000 1.593 84 C CA -0.371 58.309 59.018 -0.564 0.000 1.489 84 C CB -1.443 25.689 27.740 -1.013 0.000 2.294 84 C HN 0.420 nan 8.230 nan 0.000 0.508 85 K N 0.963 121.226 120.400 -0.229 0.000 2.404 85 K HA 0.137 4.458 4.320 0.002 0.000 0.194 85 K C 0.734 177.259 176.600 -0.125 0.000 1.023 85 K CA 0.345 56.533 56.287 -0.165 0.000 1.094 85 K CB 0.357 32.774 32.500 -0.139 0.000 0.841 85 K HN 0.673 nan 8.250 nan 0.000 0.523 86 S N -0.601 115.021 115.700 -0.129 0.000 2.705 86 S HA 0.464 4.935 4.470 0.002 0.000 0.280 86 S C -1.129 173.413 174.600 -0.097 0.000 1.174 86 S CA -1.226 56.921 58.200 -0.089 0.000 0.823 86 S CB 1.487 64.654 63.200 -0.055 0.000 1.162 86 S HN -0.197 nan 8.310 nan 0.000 0.487 87 K N 1.059 121.426 120.400 -0.055 0.000 2.276 87 K HA 0.505 4.825 4.320 0.002 0.000 0.259 87 K C -0.271 176.321 176.600 -0.014 0.000 1.001 87 K CA -0.093 56.169 56.287 -0.042 0.000 0.927 87 K CB 0.270 32.762 32.500 -0.013 0.000 0.969 87 K HN 0.409 nan 8.250 nan 0.000 0.490 88 K N 1.454 121.850 120.400 -0.006 0.000 2.267 88 K HA 0.155 4.476 4.320 0.002 0.000 0.246 88 K C 0.474 177.100 176.600 0.044 0.000 0.954 88 K CA -0.662 55.647 56.287 0.036 0.000 0.824 88 K CB 1.815 34.336 32.500 0.035 0.000 1.167 88 K HN 0.514 nan 8.250 nan 0.000 0.431 89 E N 0.544 120.776 120.200 0.054 0.000 2.122 89 E HA 0.017 4.367 4.350 0.002 0.000 0.190 89 E C -0.299 176.296 176.600 -0.009 0.000 0.977 89 E CA 0.693 57.095 56.400 0.004 0.000 0.820 89 E CB 0.518 30.190 29.700 -0.046 0.000 0.770 89 E HN 0.284 nan 8.360 nan 0.000 0.462 90 V N 1.397 121.309 119.914 -0.004 0.000 2.638 90 V HA 0.385 4.506 4.120 0.002 0.000 0.306 90 V C -1.193 174.902 176.094 0.002 0.000 1.052 90 V CA -0.982 61.278 62.300 -0.066 0.000 0.885 90 V CB 1.756 33.491 31.823 -0.147 0.000 0.999 90 V HN 0.137 nan 8.190 nan 0.000 0.424 91 L N 5.251 126.474 121.223 0.000 0.000 2.319 91 L HA 0.680 5.020 4.340 0.002 0.000 0.281 91 L C -0.973 175.950 176.870 0.088 0.000 1.005 91 L CA 0.049 54.989 54.840 0.167 0.000 0.828 91 L CB 1.069 43.273 42.059 0.241 0.000 1.227 91 L HN 0.453 nan 8.230 nan 0.000 0.415 92 F N 5.674 125.776 119.950 0.254 0.000 2.427 92 F HA 0.477 5.004 4.527 0.001 0.000 0.352 92 F C -0.081 175.906 175.800 0.312 0.000 1.100 92 F CA -0.140 58.032 58.000 0.287 0.000 1.191 92 F CB 1.230 40.448 39.000 0.362 0.000 1.128 92 F HN 0.331 nan 8.300 nan 0.000 0.533 93 L N 3.608 125.096 121.223 0.441 0.000 2.372 93 L HA 0.705 5.046 4.340 0.002 0.000 0.273 93 L C -0.038 177.046 176.870 0.357 0.000 0.989 93 L CA -0.072 54.990 54.840 0.370 0.000 0.841 93 L CB 1.135 43.384 42.059 0.316 0.000 1.225 93 L HN 0.617 nan 8.230 nan 0.000 0.414 94 G N 3.283 112.255 108.800 0.287 0.000 2.547 94 G HA2 0.321 4.282 3.960 0.002 0.000 0.291 94 G HA3 0.321 4.282 3.960 0.002 0.000 0.291 94 G C 0.366 175.362 174.900 0.160 0.000 1.211 94 G CA -0.265 44.952 45.100 0.196 0.000 0.950 94 G HN 0.748 nan 8.290 nan 0.000 0.504 95 M N -0.027 119.660 119.600 0.145 0.000 2.095 95 M HA 0.116 4.597 4.480 0.002 0.000 0.257 95 M C 0.585 176.902 176.300 0.030 0.000 1.089 95 M CA 1.129 56.517 55.300 0.146 0.000 1.138 95 M CB 0.038 32.631 32.600 -0.012 0.000 1.303 95 M HN 0.739 nan 8.290 nan 0.000 0.422 96 N N -0.840 117.805 118.700 -0.092 0.000 3.020 96 N HA 0.413 5.154 4.740 0.002 0.000 0.248 96 N C -3.194 172.194 175.510 -0.204 0.000 1.480 96 N CA -1.413 51.564 53.050 -0.121 0.000 0.874 96 N CB 0.261 38.707 38.487 -0.068 0.000 1.433 96 N HN -0.075 nan 8.380 nan 0.000 0.530 97 P HA 0.284 nan 4.420 nan 0.000 0.271 97 P C 0.075 177.258 177.300 -0.196 0.000 1.218 97 P CA 0.093 63.068 63.100 -0.209 0.000 0.780 97 P CB 0.376 31.979 31.700 -0.162 0.000 0.901 98 G N 2.336 111.023 108.800 -0.188 0.000 2.451 98 G HA2 0.344 4.305 3.960 0.002 0.000 0.303 98 G HA3 0.344 4.305 3.960 0.002 0.000 0.303 98 G C -1.737 173.027 174.900 -0.227 0.000 1.166 98 G CA -1.396 43.589 45.100 -0.191 0.000 0.884 98 G HN 0.276 nan 8.290 nan 0.000 0.514 99 P HA -0.059 nan 4.420 nan 0.000 0.220 99 P C 0.511 177.535 177.300 -0.460 0.000 1.148 99 P CA 1.090 63.869 63.100 -0.534 0.000 0.803 99 P CB 0.131 31.296 31.700 -0.892 0.000 0.782 100 F N -1.319 118.620 119.950 -0.018 0.000 2.682 100 F HA 0.409 4.937 4.527 0.001 0.000 0.308 100 F C 1.970 177.763 175.800 -0.012 0.000 1.093 100 F CA -0.339 57.654 58.000 -0.012 0.000 1.244 100 F CB -0.469 38.526 39.000 -0.008 0.000 1.052 100 F HN -0.086 nan 8.300 nan 0.000 0.573 101 G N -0.198 108.659 108.800 0.096 0.000 2.930 101 G HA2 0.086 4.047 3.960 0.002 0.000 0.209 101 G HA3 0.086 4.047 3.960 0.002 0.000 0.209 101 G C 1.279 176.179 174.900 -0.000 0.000 2.018 101 G CA 0.108 45.247 45.100 0.064 0.000 0.751 101 G HN 0.095 nan 8.290 nan 0.000 0.770 102 M N 0.904 120.480 119.600 -0.040 0.000 2.202 102 M HA -0.001 4.480 4.480 0.002 0.000 0.262 102 M C 2.458 178.722 176.300 -0.060 0.000 1.063 102 M CA 1.969 57.228 55.300 -0.068 0.000 1.097 102 M CB -0.105 32.427 32.600 -0.114 0.000 1.382 102 M HN 0.342 nan 8.290 nan 0.000 0.413 103 A N -0.130 122.674 122.820 -0.027 0.000 2.076 103 A HA -0.178 4.143 4.320 0.002 0.000 0.220 103 A C 1.951 179.622 177.584 0.146 0.000 1.160 103 A CA 1.518 53.602 52.037 0.079 0.000 0.653 103 A CB -0.406 18.651 19.000 0.095 0.000 0.801 103 A HN 0.675 nan 8.150 nan 0.000 0.455 104 Q N -1.356 118.467 119.800 0.038 0.000 2.324 104 Q HA -0.022 4.319 4.340 0.002 0.000 0.207 104 Q C 1.982 177.863 176.000 -0.199 0.000 0.928 104 Q CA 1.801 57.591 55.803 -0.022 0.000 0.890 104 Q CB -0.372 28.338 28.738 -0.048 0.000 1.001 104 Q HN 0.806 nan 8.270 nan 0.000 0.517 105 T N -3.789 110.616 114.554 -0.250 0.000 3.001 105 T HA 0.320 4.671 4.350 0.002 0.000 0.251 105 T C 1.384 176.015 174.700 -0.115 0.000 1.040 105 T CA 0.687 62.535 62.100 -0.420 0.000 0.985 105 T CB 0.556 69.215 68.868 -0.348 0.000 1.011 105 T HN 0.363 nan 8.240 nan 0.000 0.509 106 G N 1.029 109.781 108.800 -0.079 0.000 2.166 106 G HA2 -0.223 3.738 3.960 0.002 0.000 0.260 106 G HA3 -0.223 3.738 3.960 0.002 0.000 0.260 106 G C 0.034 174.970 174.900 0.060 0.000 0.986 106 G CA 0.249 45.334 45.100 -0.024 0.000 0.683 106 G HN 0.751 nan 8.290 nan 0.000 0.527 107 V N 1.275 121.178 119.914 -0.018 0.000 2.459 107 V HA 0.504 4.625 4.120 0.002 0.000 0.295 107 V C -1.844 174.202 176.094 -0.079 0.000 1.029 107 V CA -1.929 60.279 62.300 -0.153 0.000 0.874 107 V CB 2.051 33.747 31.823 -0.212 0.000 0.985 107 V HN 0.037 nan 8.190 nan 0.000 0.438 108 P HA 0.141 nan 4.420 nan 0.000 0.265 108 P C 0.003 177.407 177.300 0.174 0.000 1.193 108 P CA 0.222 63.307 63.100 -0.025 0.000 0.765 108 P CB -0.035 31.705 31.700 0.066 0.000 0.823 109 F N 0.339 120.246 119.950 -0.071 0.000 3.097 109 F HA -0.193 4.335 4.527 0.002 0.000 0.278 109 F C 1.394 177.342 175.800 0.246 0.000 0.917 109 F CA 1.206 59.151 58.000 -0.092 0.000 0.962 109 F CB -2.237 36.388 39.000 -0.625 0.000 0.964 109 F HN 0.446 nan 8.300 nan 0.000 0.668 110 G N 1.276 110.233 108.800 0.262 0.000 3.316 110 G HA2 0.128 4.089 3.960 0.002 0.000 0.255 110 G HA3 0.128 4.089 3.960 0.002 0.000 0.255 110 G C 0.325 175.338 174.900 0.189 0.000 0.880 110 G CA -0.311 44.928 45.100 0.231 0.000 1.956 110 G HN 0.398 nan 8.290 nan 0.000 0.634 111 E N 0.892 121.261 120.200 0.282 0.000 2.415 111 E HA -0.012 4.339 4.350 0.002 0.000 0.263 111 E C 1.269 178.002 176.600 0.222 0.000 0.995 111 E CA -0.285 56.260 56.400 0.241 0.000 0.915 111 E CB 1.150 31.024 29.700 0.290 0.000 0.951 111 E HN 0.088 nan 8.360 nan 0.000 0.449 112 V N 5.339 125.349 119.914 0.159 0.000 2.255 112 V HA -0.336 3.785 4.120 0.002 0.000 0.247 112 V C 1.998 178.209 176.094 0.195 0.000 1.051 112 V CA 2.077 64.473 62.300 0.159 0.000 1.018 112 V CB -0.578 31.312 31.823 0.111 0.000 0.641 112 V HN 0.629 nan 8.190 nan 0.000 0.445 113 N N -0.307 118.484 118.700 0.150 0.000 2.084 113 N HA -0.167 4.574 4.740 0.002 0.000 0.190 113 N C 1.785 177.322 175.510 0.045 0.000 1.030 113 N CA 1.816 54.907 53.050 0.069 0.000 0.849 113 N CB -0.514 37.962 38.487 -0.018 0.000 1.012 113 N HN 0.633 nan 8.380 nan 0.000 0.423 114 H N -0.113 119.035 119.070 0.131 0.000 2.423 114 H HA 0.068 4.625 4.556 0.001 0.000 0.297 114 H C 2.064 177.448 175.328 0.093 0.000 1.075 114 H CA 0.767 56.900 56.048 0.142 0.000 1.342 114 H CB -0.010 29.861 29.762 0.181 0.000 1.395 114 H HN -0.054 nan 8.280 nan 0.000 0.530 115 V N 0.595 120.616 119.914 0.179 0.000 2.307 115 V HA -0.220 3.901 4.120 0.002 0.000 0.245 115 V C 2.234 178.408 176.094 0.133 0.000 1.045 115 V CA 1.784 64.150 62.300 0.110 0.000 1.024 115 V CB -0.264 31.678 31.823 0.198 0.000 0.651 115 V HN 0.385 nan 8.190 nan 0.000 0.449 116 R N -0.164 120.432 120.500 0.161 0.000 2.075 116 R HA -0.112 4.229 4.340 0.002 0.000 0.232 116 R C 1.882 178.206 176.300 0.039 0.000 1.126 116 R CA 1.647 57.788 56.100 0.069 0.000 0.963 116 R CB -0.254 30.096 30.300 0.082 0.000 0.858 116 R HN 0.509 nan 8.270 nan 0.000 0.435 117 D N -1.436 119.007 120.400 0.071 0.000 2.323 117 D HA -0.069 4.572 4.640 0.002 0.000 0.218 117 D C 1.324 177.714 176.300 0.150 0.000 0.973 117 D CA 0.591 54.635 54.000 0.072 0.000 0.890 117 D CB 0.011 40.833 40.800 0.038 0.000 1.011 117 D HN 0.172 nan 8.370 nan 0.000 0.499 118 W N 1.149 122.441 121.300 -0.012 0.000 2.726 118 W HA 0.214 4.875 4.660 0.001 0.000 0.285 118 W C 1.838 178.366 176.519 0.015 0.000 1.110 118 W CA 0.355 57.708 57.345 0.013 0.000 1.579 118 W CB -0.427 29.063 29.460 0.049 0.000 1.118 118 W HN -0.231 nan 8.180 nan 0.000 0.556 119 L N 0.970 122.177 121.223 -0.026 0.000 2.191 119 L HA -0.158 4.183 4.340 0.002 0.000 0.212 119 L C 0.787 177.669 176.870 0.019 0.000 1.103 119 L CA 1.408 56.174 54.840 -0.124 0.000 0.769 119 L CB -0.993 40.992 42.059 -0.124 0.000 0.908 119 L HN 0.159 nan 8.230 nan 0.000 0.438 120 Q N 0.385 120.186 119.800 0.000 0.000 2.451 120 Q HA -0.200 4.141 4.340 0.002 0.000 0.305 120 Q C -0.626 175.351 176.000 -0.040 0.000 1.345 120 Q CA 0.400 56.188 55.803 -0.026 0.000 0.854 120 Q CB -1.344 27.367 28.738 -0.043 0.000 1.162 120 Q HN 0.340 nan 8.270 nan 0.000 0.440 121 I N 0.959 121.518 120.570 -0.019 0.000 2.378 121 I HA 0.419 4.589 4.170 0.002 0.000 0.291 121 I C 0.570 176.576 176.117 -0.185 0.000 0.992 121 I CA 0.026 61.308 61.300 -0.031 0.000 1.154 121 I CB 1.711 39.771 38.000 0.100 0.000 1.315 121 I HN 0.208 nan 8.210 nan 0.000 0.448 122 E N 2.799 122.826 120.200 -0.288 0.000 2.456 122 E HA 0.846 5.197 4.350 0.002 0.000 0.276 122 E C -0.676 175.769 176.600 -0.258 0.000 0.981 122 E CA -1.082 54.932 56.400 -0.644 0.000 0.814 122 E CB 3.234 32.513 29.700 -0.701 0.000 1.382 122 E HN 0.778 nan 8.360 nan 0.000 0.459 123 G N 0.812 109.501 108.800 -0.184 0.000 2.325 123 G HA2 0.257 4.218 3.960 0.002 0.000 0.297 123 G HA3 0.257 4.218 3.960 0.002 0.000 0.297 123 G C -3.068 171.917 174.900 0.142 0.000 1.448 123 G CA -0.916 44.194 45.100 0.017 0.000 0.838 123 G HN 0.291 nan 8.290 nan 0.000 0.579 124 P HA 0.455 nan 4.420 nan 0.000 0.271 124 P C -0.520 176.900 177.300 0.200 0.000 1.216 124 P CA -0.137 63.054 63.100 0.152 0.000 0.776 124 P CB 1.580 33.346 31.700 0.109 0.000 0.881 125 V N 2.553 122.589 119.914 0.204 0.000 2.531 125 V HA 0.296 4.417 4.120 0.002 0.000 0.301 125 V C 0.956 177.146 176.094 0.160 0.000 1.034 125 V CA -0.250 62.173 62.300 0.205 0.000 0.865 125 V CB 1.555 33.493 31.823 0.191 0.000 0.995 125 V HN 0.805 nan 8.190 nan 0.000 0.424 126 S N 4.825 120.633 115.700 0.181 0.000 2.430 126 S HA 0.676 5.146 4.470 0.002 0.000 0.246 126 S C -0.291 174.301 174.600 -0.014 0.000 1.155 126 S CA -0.617 57.639 58.200 0.093 0.000 1.054 126 S CB 0.915 64.174 63.200 0.097 0.000 1.154 126 S HN 0.789 nan 8.310 nan 0.000 0.482 127 K N -0.382 119.941 120.400 -0.128 0.000 2.482 127 K HA 0.663 4.984 4.320 0.002 0.000 0.257 127 K C -3.479 172.834 176.600 -0.478 0.000 0.969 127 K CA -2.218 53.812 56.287 -0.427 0.000 0.842 127 K CB 0.921 33.243 32.500 -0.297 0.000 1.359 127 K HN 0.226 nan 8.250 nan 0.000 0.441 128 P HA 0.063 nan 4.420 nan 0.000 0.270 128 P C 0.030 177.198 177.300 -0.219 0.000 1.223 128 P CA -0.158 62.655 63.100 -0.477 0.000 0.785 128 P CB 0.575 31.805 31.700 -0.783 0.000 0.923 129 E N -0.271 119.889 120.200 -0.066 0.000 2.085 129 E HA -0.064 4.287 4.350 0.002 0.000 0.194 129 E C -0.053 176.551 176.600 0.006 0.000 0.994 129 E CA 1.048 57.440 56.400 -0.014 0.000 0.801 129 E CB 0.025 29.741 29.700 0.026 0.000 0.743 129 E HN 0.160 nan 8.360 nan 0.000 0.453 130 V N 2.008 121.957 119.914 0.057 0.000 2.419 130 V HA 0.190 4.311 4.120 0.002 0.000 0.287 130 V C -0.660 175.592 176.094 0.265 0.000 1.017 130 V CA -0.536 61.851 62.300 0.145 0.000 0.844 130 V CB 1.519 33.445 31.823 0.173 0.000 1.011 130 V HN 0.042 nan 8.190 nan 0.000 0.429 131 E N 2.740 123.030 120.200 0.149 0.000 2.231 131 E HA 0.363 4.714 4.350 0.002 0.000 0.277 131 E C -0.557 176.083 176.600 0.067 0.000 0.999 131 E CA -0.777 55.703 56.400 0.134 0.000 0.827 131 E CB 1.455 31.121 29.700 -0.056 0.000 1.101 131 E HN 0.648 nan 8.360 nan 0.000 0.393 132 H N 4.141 123.025 119.070 -0.309 0.000 2.722 132 H HA 0.056 4.613 4.556 0.002 0.000 0.328 132 H C -1.744 173.456 175.328 -0.214 0.000 1.067 132 H CA -2.011 53.663 56.048 -0.623 0.000 1.447 132 H CB 1.167 30.340 29.762 -0.982 0.000 1.469 132 H HN 0.323 nan 8.280 nan 0.000 0.544 133 P HA -0.099 nan 4.420 nan 0.000 0.221 133 P C 0.603 177.971 177.300 0.113 0.000 1.145 133 P CA 1.377 64.472 63.100 -0.007 0.000 0.795 133 P CB 0.303 31.955 31.700 -0.079 0.000 0.775 134 K N -1.039 119.539 120.400 0.296 0.000 2.393 134 K HA 0.107 4.428 4.320 0.002 0.000 0.193 134 K C 0.730 177.369 176.600 0.066 0.000 1.026 134 K CA 0.199 56.563 56.287 0.129 0.000 1.064 134 K CB 0.395 32.929 32.500 0.057 0.000 0.833 134 K HN -0.070 nan 8.250 nan 0.000 0.521 135 R N 1.416 121.960 120.500 0.074 0.000 2.782 135 R HA 0.203 4.544 4.340 0.002 0.000 0.293 135 R C -0.668 175.707 176.300 0.125 0.000 1.333 135 R CA -0.194 55.950 56.100 0.074 0.000 1.479 135 R CB 0.418 30.697 30.300 -0.035 0.000 1.306 135 R HN 0.052 nan 8.270 nan 0.000 0.654 136 R N 0.547 121.085 120.500 0.064 0.000 2.539 136 R HA 0.320 4.661 4.340 0.002 0.000 0.275 136 R C 0.356 176.638 176.300 -0.030 0.000 1.077 136 R CA -0.458 55.635 56.100 -0.012 0.000 1.097 136 R CB 0.973 31.263 30.300 -0.018 0.000 1.018 136 R HN -0.015 nan 8.270 nan 0.000 0.483 137 I N 3.374 123.858 120.570 -0.144 0.000 2.312 137 I HA 0.142 4.313 4.170 0.002 0.000 0.291 137 I C 1.328 177.402 176.117 -0.072 0.000 1.031 137 I CA 0.206 61.425 61.300 -0.135 0.000 1.293 137 I CB 1.087 38.874 38.000 -0.355 0.000 1.403 137 I HN 0.568 nan 8.210 nan 0.000 0.484 138 R N 3.401 123.892 120.500 -0.015 0.000 2.397 138 R HA 0.268 4.609 4.340 0.002 0.000 0.241 138 R C 1.227 177.534 176.300 0.012 0.000 0.914 138 R CA 0.329 56.430 56.100 0.002 0.000 1.071 138 R CB 0.686 30.994 30.300 0.013 0.000 1.116 138 R HN 0.963 nan 8.270 nan 0.000 0.524 139 G N 1.593 110.383 108.800 -0.017 0.000 2.611 139 G HA2 -0.383 3.578 3.960 0.002 0.000 0.301 139 G HA3 -0.383 3.578 3.960 0.002 0.000 0.301 139 G C 0.459 175.249 174.900 -0.183 0.000 1.233 139 G CA 0.475 45.515 45.100 -0.100 0.000 0.993 139 G HN 0.252 nan 8.290 nan 0.000 0.553 140 F N 2.201 122.187 119.950 0.060 0.000 2.641 140 F HA 0.178 4.705 4.527 0.001 0.000 0.298 140 F C 2.571 178.392 175.800 0.036 0.000 1.146 140 F CA 1.740 59.769 58.000 0.048 0.000 1.464 140 F CB 0.034 39.057 39.000 0.039 0.000 1.101 140 F HN 0.474 nan 8.300 nan 0.000 0.585 141 E N -1.110 119.170 120.200 0.135 0.000 2.479 141 E HA 0.008 4.359 4.350 0.002 0.000 0.193 141 E C 0.460 177.082 176.600 0.038 0.000 1.049 141 E CA -0.187 56.261 56.400 0.080 0.000 0.870 141 E CB 0.012 29.750 29.700 0.063 0.000 0.944 141 E HN 0.219 nan 8.360 nan 0.000 0.492 142 C N 3.502 122.816 119.300 0.023 0.000 2.638 142 C HA 0.053 4.514 4.460 0.002 0.000 0.410 142 C C -0.688 174.289 174.990 -0.020 0.000 1.404 142 C CA -1.339 57.682 59.018 0.005 0.000 1.651 142 C CB 0.285 28.042 27.740 0.029 0.000 2.495 142 C HN 0.296 nan 8.230 nan 0.000 0.606 143 P HA 0.010 nan 4.420 nan 0.000 0.235 143 P C 0.035 177.253 177.300 -0.137 0.000 1.177 143 P CA 0.806 63.862 63.100 -0.073 0.000 0.785 143 P CB 0.216 31.874 31.700 -0.070 0.000 0.885 144 Q N 0.130 119.772 119.800 -0.263 0.000 2.299 144 Q HA 0.375 4.716 4.340 0.002 0.000 0.246 144 Q C 0.111 175.977 176.000 -0.223 0.000 0.935 144 Q CA -0.084 55.460 55.803 -0.430 0.000 0.887 144 Q CB 0.833 28.859 28.738 -1.186 0.000 1.223 144 Q HN -0.114 nan 8.270 nan 0.000 0.439 145 S N 1.243 116.866 115.700 -0.130 0.000 2.457 145 S HA 0.174 4.645 4.470 0.002 0.000 0.289 145 S C -0.754 173.913 174.600 0.110 0.000 1.163 145 S CA -0.689 57.524 58.200 0.022 0.000 1.078 145 S CB 0.692 63.911 63.200 0.032 0.000 0.987 145 S HN 0.510 nan 8.310 nan 0.000 0.482 146 E N 4.060 124.374 120.200 0.190 0.000 2.104 146 E HA 0.210 4.561 4.350 0.002 0.000 0.278 146 E C 0.805 177.475 176.600 0.117 0.000 1.127 146 E CA -0.138 56.385 56.400 0.205 0.000 0.897 146 E CB 0.389 30.198 29.700 0.183 0.000 1.043 146 E HN 0.444 nan 8.360 nan 0.000 0.410 147 V N 3.606 123.567 119.914 0.079 0.000 2.343 147 V HA -0.273 3.848 4.120 0.002 0.000 0.247 147 V C 1.992 178.049 176.094 -0.062 0.000 1.051 147 V CA 2.055 64.359 62.300 0.007 0.000 1.036 147 V CB -0.500 31.319 31.823 -0.007 0.000 0.654 147 V HN 0.670 nan 8.190 nan 0.000 0.451 148 S N 0.476 116.154 115.700 -0.038 0.000 2.365 148 S HA -0.189 4.282 4.470 0.002 0.000 0.225 148 S C 2.030 176.585 174.600 -0.075 0.000 1.039 148 S CA 1.664 59.810 58.200 -0.089 0.000 1.033 148 S CB -0.725 62.530 63.200 0.092 0.000 0.887 148 S HN 0.719 nan 8.310 nan 0.000 0.447 149 G N 0.757 109.611 108.800 0.089 0.000 2.403 149 G HA2 0.067 4.027 3.960 0.002 0.000 0.216 149 G HA3 0.067 4.027 3.960 0.002 0.000 0.216 149 G C 1.552 176.496 174.900 0.073 0.000 1.154 149 G CA 0.795 46.000 45.100 0.175 0.000 0.784 149 G HN 0.568 nan 8.290 nan 0.000 0.538 150 A N 0.970 123.796 122.820 0.010 0.000 1.902 150 A HA -0.012 4.309 4.320 0.002 0.000 0.217 150 A C 2.420 179.834 177.584 -0.283 0.000 1.181 150 A CA 1.660 53.626 52.037 -0.118 0.000 0.623 150 A CB -0.407 18.625 19.000 0.052 0.000 0.818 150 A HN 0.339 nan 8.150 nan 0.000 0.443 151 R N -1.978 118.365 120.500 -0.262 0.000 2.083 151 R HA -0.129 4.211 4.340 0.002 0.000 0.237 151 R C 2.035 178.111 176.300 -0.373 0.000 1.137 151 R CA 1.709 57.592 56.100 -0.362 0.000 0.951 151 R CB -0.534 29.365 30.300 -0.668 0.000 0.851 151 R HN 0.601 nan 8.270 nan 0.000 0.434 152 F N -0.177 119.391 119.950 -0.636 0.000 2.051 152 F HA -0.236 4.292 4.527 0.002 0.000 0.296 152 F C 1.678 177.125 175.800 -0.588 0.000 1.122 152 F CA 1.632 59.223 58.000 -0.681 0.000 1.201 152 F CB -0.291 38.031 39.000 -1.129 0.000 0.978 152 F HN 0.026 nan 8.300 nan 0.000 0.472 153 W N -0.588 120.585 121.300 -0.213 0.000 2.467 153 W HA -0.055 4.606 4.660 0.001 0.000 0.275 153 W C 2.927 179.082 176.519 -0.606 0.000 1.239 153 W CA 0.866 58.009 57.345 -0.335 0.000 1.266 153 W CB -0.714 28.674 29.460 -0.121 0.000 1.112 153 W HN 0.000 nan 8.180 nan 0.000 0.576 154 S N 0.724 116.151 115.700 -0.456 0.000 2.382 154 S HA -0.193 4.278 4.470 0.002 0.000 0.228 154 S C 1.877 176.255 174.600 -0.370 0.000 1.027 154 S CA 1.440 59.439 58.200 -0.335 0.000 0.991 154 S CB -0.433 62.649 63.200 -0.197 0.000 0.823 154 S HN 0.220 nan 8.310 nan 0.000 0.469 155 L N 0.612 121.561 121.223 -0.457 0.000 1.989 155 L HA 0.033 4.374 4.340 0.002 0.000 0.211 155 L C 1.827 178.245 176.870 -0.754 0.000 1.071 155 L CA 2.110 56.577 54.840 -0.623 0.000 0.749 155 L CB -0.913 40.651 42.059 -0.825 0.000 0.890 155 L HN 0.336 nan 8.230 nan 0.000 0.431 156 F N 0.091 119.697 119.950 -0.574 0.000 2.259 156 F HA -0.066 4.462 4.527 0.001 0.000 0.298 156 F C 2.518 177.994 175.800 -0.541 0.000 1.088 156 F CA 1.437 59.121 58.000 -0.527 0.000 1.358 156 F CB -0.762 37.757 39.000 -0.802 0.000 1.040 156 F HN 0.123 nan 8.300 nan 0.000 0.505 157 K N 0.097 120.002 120.400 -0.824 0.000 2.063 157 K HA -0.157 4.164 4.320 0.002 0.000 0.208 157 K C 2.253 178.647 176.600 -0.343 0.000 1.048 157 K CA 1.709 57.390 56.287 -1.010 0.000 0.928 157 K CB -0.229 31.557 32.500 -1.190 0.000 0.713 157 K HN 0.098 nan 8.250 nan 0.000 0.442 158 S N 0.748 116.279 115.700 -0.282 0.000 2.368 158 S HA -0.094 4.377 4.470 0.002 0.000 0.224 158 S C 1.665 176.210 174.600 -0.091 0.000 1.029 158 S CA 0.900 59.006 58.200 -0.156 0.000 0.988 158 S CB -0.167 62.932 63.200 -0.169 0.000 0.838 158 S HN 0.245 nan 8.310 nan 0.000 0.462 159 L N 0.647 121.807 121.223 -0.105 0.000 2.095 159 L HA 0.064 4.405 4.340 0.002 0.000 0.204 159 L C 1.909 178.833 176.870 0.090 0.000 1.080 159 L CA 1.695 56.523 54.840 -0.021 0.000 0.759 159 L CB -0.525 41.509 42.059 -0.042 0.000 0.914 159 L HN 0.342 nan 8.230 nan 0.000 0.439 160 C N -1.145 118.256 119.300 0.169 0.000 2.791 160 C HA 0.577 5.038 4.460 0.002 0.000 0.288 160 C C 2.034 177.194 174.990 0.283 0.000 1.271 160 C CA -0.026 59.156 59.018 0.273 0.000 1.726 160 C CB -0.571 27.433 27.740 0.440 0.000 2.145 160 C HN 0.808 nan 8.230 nan 0.000 0.572 161 G N 0.361 109.327 108.800 0.277 0.000 4.655 161 G HA2 -0.208 3.753 3.960 0.002 0.000 0.220 161 G HA3 -0.208 3.753 3.960 0.002 0.000 0.220 161 G C -0.039 175.174 174.900 0.522 0.000 1.403 161 G CA 0.411 45.689 45.100 0.297 0.000 0.931 161 G HN 0.452 nan 8.290 nan 0.000 0.654 162 Q N 1.320 121.373 119.800 0.421 0.000 2.306 162 Q HA 0.468 4.809 4.340 0.002 0.000 0.265 162 Q C -1.653 174.428 176.000 0.135 0.000 1.022 162 Q CA -1.459 54.504 55.803 0.265 0.000 0.853 162 Q CB 2.280 31.094 28.738 0.126 0.000 1.327 162 Q HN 0.319 nan 8.270 nan 0.000 0.449 163 P HA -0.151 nan 4.420 nan 0.000 0.218 163 P C 0.365 177.749 177.300 0.140 0.000 1.149 163 P CA 1.238 64.025 63.100 -0.521 0.000 0.817 163 P CB 0.548 31.717 31.700 -0.885 0.000 0.785 164 E N -0.576 119.721 120.200 0.161 0.000 2.204 164 E HA -0.108 4.243 4.350 0.002 0.000 0.195 164 E C 2.019 178.725 176.600 0.176 0.000 0.990 164 E CA 1.541 58.073 56.400 0.221 0.000 0.821 164 E CB -1.213 28.562 29.700 0.126 0.000 0.750 164 E HN 0.260 nan 8.360 nan 0.000 0.477 165 T N 0.264 114.920 114.554 0.170 0.000 2.812 165 T HA -0.099 4.252 4.350 0.002 0.000 0.264 165 T C 1.450 176.245 174.700 0.157 0.000 1.042 165 T CA 0.921 63.113 62.100 0.154 0.000 1.140 165 T CB -0.350 68.631 68.868 0.189 0.000 0.870 165 T HN 0.186 nan 8.240 nan 0.000 0.445 166 F N 1.273 121.257 119.950 0.056 0.000 2.113 166 F HA 0.014 4.542 4.527 0.001 0.000 0.297 166 F C 1.418 177.106 175.800 -0.187 0.000 1.103 166 F CA 1.124 59.062 58.000 -0.103 0.000 1.248 166 F CB -0.414 38.457 39.000 -0.214 0.000 0.999 166 F HN 0.097 nan 8.300 nan 0.000 0.475 167 F N 0.710 120.694 119.950 0.057 0.000 2.811 167 F HA 0.089 4.617 4.527 0.002 0.000 0.301 167 F C 2.180 177.934 175.800 -0.076 0.000 1.151 167 F CA 0.473 58.471 58.000 -0.004 0.000 1.412 167 F CB -0.814 38.293 39.000 0.179 0.000 1.113 167 F HN -0.070 nan 8.300 nan 0.000 0.579 168 K N -0.194 120.195 120.400 -0.018 0.000 2.059 168 K HA -0.215 4.106 4.320 0.002 0.000 0.212 168 K C 1.264 177.624 176.600 -0.400 0.000 1.050 168 K CA 1.865 58.001 56.287 -0.251 0.000 0.927 168 K CB -0.080 32.185 32.500 -0.393 0.000 0.714 168 K HN 0.296 nan 8.250 nan 0.000 0.447 169 H N -2.399 116.646 119.070 -0.042 0.000 3.058 169 H HA 0.221 4.778 4.556 0.002 0.000 0.266 169 H C -0.047 175.230 175.328 -0.086 0.000 1.135 169 H CA -0.282 55.734 56.048 -0.053 0.000 1.174 169 H CB 0.300 30.030 29.762 -0.052 0.000 1.581 169 H HN 0.108 nan 8.280 nan 0.000 0.553 170 C N 0.737 119.974 119.300 -0.105 0.000 2.595 170 C HA 0.657 5.118 4.460 0.002 0.000 0.338 170 C C -0.259 174.800 174.990 0.115 0.000 1.219 170 C CA -0.626 58.284 59.018 -0.179 0.000 1.811 170 C CB 1.729 29.024 27.740 -0.741 0.000 2.313 170 C HN 0.293 nan 8.230 nan 0.000 0.499 171 F N 0.102 120.124 119.950 0.120 0.000 2.685 171 F HA 0.786 5.314 4.527 0.001 0.000 0.315 171 F C -1.185 174.964 175.800 0.581 0.000 1.126 171 F CA -0.769 57.469 58.000 0.396 0.000 0.950 171 F CB 1.474 40.582 39.000 0.181 0.000 1.360 171 F HN 0.361 nan 8.300 nan 0.000 0.469 172 V N 2.661 122.625 119.914 0.084 0.000 2.709 172 V HA 0.582 4.703 4.120 0.002 0.000 0.308 172 V C -1.498 174.750 176.094 0.257 0.000 1.062 172 V CA -0.616 61.884 62.300 0.332 0.000 0.901 172 V CB 1.811 33.915 31.823 0.468 0.000 1.003 172 V HN 0.901 nan 8.190 nan 0.000 0.425 173 H N 2.671 121.911 119.070 0.284 0.000 3.042 173 H HA 0.577 5.134 4.556 0.001 0.000 0.346 173 H C -1.257 174.227 175.328 0.260 0.000 1.294 173 H CA -0.607 55.648 56.048 0.346 0.000 1.141 173 H CB 1.987 32.056 29.762 0.512 0.000 1.872 173 H HN 0.606 nan 8.280 nan 0.000 0.541 174 N N 0.427 118.931 118.700 -0.326 0.000 2.370 174 N HA 0.120 4.861 4.740 0.002 0.000 0.303 174 N C 0.487 175.787 175.510 -0.350 0.000 1.103 174 N CA -0.384 52.517 53.050 -0.248 0.000 0.848 174 N CB 1.305 39.675 38.487 -0.196 0.000 1.235 174 N HN 0.793 nan 8.380 nan 0.000 0.496 175 H N 0.526 119.536 119.070 -0.099 0.000 2.352 175 H HA 0.010 4.567 4.556 0.001 0.000 0.299 175 H C 0.176 175.511 175.328 0.011 0.000 1.097 175 H CA 1.626 57.683 56.048 0.015 0.000 1.311 175 H CB 0.350 30.207 29.762 0.158 0.000 1.377 175 H HN 0.432 nan 8.280 nan 0.000 0.504 176 C N 1.536 120.915 119.300 0.133 0.000 2.431 176 C HA 0.360 4.821 4.460 0.002 0.000 0.321 176 C C -1.845 173.143 174.990 -0.003 0.000 1.202 176 C CA -1.718 57.364 59.018 0.106 0.000 1.398 176 C CB 1.526 29.395 27.740 0.216 0.000 2.047 176 C HN 0.366 nan 8.230 nan 0.000 0.465 177 P HA 0.101 nan 4.420 nan 0.000 0.245 177 P C 0.101 177.324 177.300 -0.128 0.000 1.206 177 P CA 0.537 63.589 63.100 -0.080 0.000 0.781 177 P CB 0.135 31.801 31.700 -0.057 0.000 0.994 178 L N 0.564 121.689 121.223 -0.162 0.000 2.395 178 L HA 0.391 4.732 4.340 0.002 0.000 0.269 178 L C 0.775 177.311 176.870 -0.557 0.000 1.133 178 L CA -0.716 53.886 54.840 -0.397 0.000 0.812 178 L CB 0.998 42.694 42.059 -0.604 0.000 1.125 178 L HN -0.115 nan 8.230 nan 0.000 0.452 179 I N 1.075 121.260 120.570 -0.642 0.000 2.569 179 I HA 0.486 4.657 4.170 0.002 0.000 0.296 179 I C -1.393 174.231 176.117 -0.821 0.000 1.028 179 I CA -0.408 60.545 61.300 -0.579 0.000 1.082 179 I CB 1.844 39.661 38.000 -0.305 0.000 1.264 179 I HN 0.305 nan 8.210 nan 0.000 0.429 180 F N 6.742 126.514 119.950 -0.296 0.000 2.520 180 F HA 0.632 5.160 4.527 0.002 0.000 0.322 180 F C -0.319 175.319 175.800 -0.270 0.000 1.103 180 F CA -0.542 57.278 58.000 -0.299 0.000 0.926 180 F CB 2.069 40.887 39.000 -0.304 0.000 1.154 180 F HN 0.223 nan 8.300 nan 0.000 0.453 181 M N 2.556 122.135 119.600 -0.035 0.000 2.530 181 M HA 0.367 4.848 4.480 0.002 0.000 0.307 181 M C -0.369 175.990 176.300 0.098 0.000 1.161 181 M CA -0.824 54.446 55.300 -0.050 0.000 0.903 181 M CB 2.119 34.609 32.600 -0.183 0.000 1.711 181 M HN 0.675 nan 8.290 nan 0.000 0.451 182 N N 0.304 119.031 118.700 0.045 0.000 2.374 182 N HA 0.127 4.868 4.740 0.002 0.000 0.284 182 N C 0.683 176.328 175.510 0.224 0.000 1.280 182 N CA 0.110 53.237 53.050 0.128 0.000 0.963 182 N CB -0.155 38.386 38.487 0.089 0.000 1.141 182 N HN 0.829 nan 8.380 nan 0.000 0.565 183 H N -2.888 116.300 119.070 0.195 0.000 2.387 183 H HA -0.051 4.506 4.556 0.001 0.000 0.299 183 H C 1.335 176.873 175.328 0.350 0.000 1.099 183 H CA 1.864 58.081 56.048 0.281 0.000 1.315 183 H CB -0.344 29.508 29.762 0.151 0.000 1.380 183 H HN 0.542 nan 8.280 nan 0.000 0.513 184 S N -0.975 114.433 115.700 -0.487 0.000 2.575 184 S HA 0.289 4.760 4.470 0.002 0.000 0.215 184 S C 1.765 176.125 174.600 -0.400 0.000 0.966 184 S CA 0.068 58.087 58.200 -0.301 0.000 0.911 184 S CB -0.025 62.874 63.200 -0.501 0.000 0.780 184 S HN 0.985 nan 8.310 nan 0.000 0.514 185 G N 1.267 109.706 108.800 -0.602 0.000 2.175 185 G HA2 -0.278 3.683 3.960 0.002 0.000 0.244 185 G HA3 -0.278 3.683 3.960 0.002 0.000 0.244 185 G C -0.048 174.574 174.900 -0.463 0.000 0.982 185 G CA 0.148 44.691 45.100 -0.929 0.000 0.641 185 G HN 0.727 nan 8.290 nan 0.000 0.527 186 K N 0.642 120.855 120.400 -0.312 0.000 2.401 186 K HA 0.265 4.586 4.320 0.002 0.000 0.278 186 K C 0.526 177.011 176.600 -0.192 0.000 1.018 186 K CA -0.325 55.832 56.287 -0.217 0.000 0.981 186 K CB 0.147 32.550 32.500 -0.161 0.000 0.933 186 K HN 0.194 nan 8.250 nan 0.000 0.477 187 N N 3.611 122.198 118.700 -0.189 0.000 2.483 187 N HA 0.066 4.807 4.740 0.002 0.000 0.264 187 N C -1.239 174.197 175.510 -0.123 0.000 1.197 187 N CA 0.053 52.999 53.050 -0.173 0.000 0.927 187 N CB 0.303 38.674 38.487 -0.193 0.000 1.065 187 N HN 0.400 nan 8.380 nan 0.000 0.461 188 L N 2.828 123.999 121.223 -0.085 0.000 2.294 188 L HA 0.365 4.706 4.340 0.002 0.000 0.283 188 L C 0.717 177.540 176.870 -0.079 0.000 1.015 188 L CA -0.984 53.804 54.840 -0.087 0.000 0.831 188 L CB 1.210 43.216 42.059 -0.090 0.000 1.217 188 L HN 0.603 nan 8.230 nan 0.000 0.420 189 T N -0.393 114.079 114.554 -0.136 0.000 2.813 189 T HA 0.204 4.555 4.350 0.002 0.000 0.297 189 T C -1.821 172.740 174.700 -0.231 0.000 1.036 189 T CA -1.448 60.546 62.100 -0.176 0.000 1.044 189 T CB 0.933 69.648 68.868 -0.254 0.000 0.993 189 T HN 0.284 nan 8.240 nan 0.000 0.535 190 P HA -0.081 nan 4.420 nan 0.000 0.216 190 P C 1.607 178.754 177.300 -0.254 0.000 1.150 190 P CA 1.188 64.122 63.100 -0.276 0.000 0.843 190 P CB -0.282 31.276 31.700 -0.237 0.000 0.787 191 T N -0.828 113.535 114.554 -0.318 0.000 2.833 191 T HA -0.115 4.235 4.350 0.002 0.000 0.269 191 T C 1.160 175.782 174.700 -0.131 0.000 1.054 191 T CA 1.374 63.365 62.100 -0.181 0.000 1.135 191 T CB -0.791 67.960 68.868 -0.196 0.000 0.869 191 T HN 0.171 nan 8.240 nan 0.000 0.466 192 D N 0.762 121.065 120.400 -0.161 0.000 2.317 192 D HA 0.092 4.733 4.640 0.002 0.000 0.211 192 D C 0.746 176.966 176.300 -0.132 0.000 0.966 192 D CA 0.228 54.151 54.000 -0.129 0.000 0.876 192 D CB -0.169 40.553 40.800 -0.130 0.000 0.927 192 D HN 0.377 nan 8.370 nan 0.000 0.519 193 L N 1.600 122.714 121.223 -0.181 0.000 2.467 193 L HA 0.158 4.499 4.340 0.002 0.000 0.270 193 L C -1.931 174.884 176.870 -0.092 0.000 1.205 193 L CA -1.633 53.099 54.840 -0.179 0.000 0.828 193 L CB -0.196 41.702 42.059 -0.269 0.000 1.101 193 L HN -0.263 nan 8.230 nan 0.000 0.479 194 P HA -0.020 nan 4.420 nan 0.000 0.267 194 P C 0.240 177.527 177.300 -0.021 0.000 1.200 194 P CA -0.091 62.990 63.100 -0.031 0.000 0.772 194 P CB 0.563 32.252 31.700 -0.018 0.000 0.855 195 K N 2.549 122.942 120.400 -0.011 0.000 2.074 195 K HA -0.264 4.057 4.320 0.002 0.000 0.209 195 K C 1.792 178.395 176.600 0.003 0.000 1.048 195 K CA 2.010 58.297 56.287 -0.001 0.000 0.926 195 K CB -0.593 31.908 32.500 0.002 0.000 0.713 195 K HN 0.495 nan 8.250 nan 0.000 0.444 196 A N 0.854 123.673 122.820 -0.002 0.000 1.902 196 A HA -0.223 4.098 4.320 0.002 0.000 0.217 196 A C 2.007 179.588 177.584 -0.005 0.000 1.181 196 A CA 1.592 53.627 52.037 -0.005 0.000 0.623 196 A CB -0.473 18.520 19.000 -0.012 0.000 0.818 196 A HN 0.474 nan 8.150 nan 0.000 0.443 197 Q N -1.172 118.630 119.800 0.004 0.000 2.083 197 Q HA -0.138 4.202 4.340 0.002 0.000 0.198 197 Q C 2.381 178.423 176.000 0.070 0.000 0.969 197 Q CA 1.369 57.191 55.803 0.031 0.000 0.838 197 Q CB -0.201 28.596 28.738 0.097 0.000 0.900 197 Q HN 0.706 nan 8.270 nan 0.000 0.436 198 R N 0.863 121.382 120.500 0.032 0.000 2.091 198 R HA -0.185 4.156 4.340 0.002 0.000 0.238 198 R C 1.303 177.648 176.300 0.074 0.000 1.136 198 R CA 1.887 58.009 56.100 0.036 0.000 0.959 198 R CB 0.030 30.333 30.300 0.005 0.000 0.856 198 R HN 0.183 nan 8.270 nan 0.000 0.437 199 D N -0.626 119.806 120.400 0.053 0.000 2.117 199 D HA -0.088 4.553 4.640 0.002 0.000 0.198 199 D C 1.758 178.094 176.300 0.060 0.000 0.982 199 D CA 1.604 55.638 54.000 0.055 0.000 0.828 199 D CB -0.369 40.451 40.800 0.033 0.000 0.967 199 D HN 0.236 nan 8.370 nan 0.000 0.464 200 T N 1.345 115.923 114.554 0.041 0.000 2.652 200 T HA -0.165 4.186 4.350 0.002 0.000 0.267 200 T C 1.926 176.669 174.700 0.072 0.000 1.039 200 T CA 0.892 63.008 62.100 0.027 0.000 1.153 200 T CB -0.409 68.440 68.868 -0.032 0.000 0.863 200 T HN 0.057 nan 8.240 nan 0.000 0.428 201 L N 0.854 122.154 121.223 0.128 0.000 1.994 201 L HA 0.043 4.383 4.340 0.002 0.000 0.208 201 L C 2.123 179.118 176.870 0.209 0.000 1.071 201 L CA 1.726 56.698 54.840 0.221 0.000 0.745 201 L CB -0.667 41.602 42.059 0.349 0.000 0.892 201 L HN 0.249 nan 8.230 nan 0.000 0.431 202 L N -0.914 120.431 121.223 0.205 0.000 2.313 202 L HA -0.085 4.256 4.340 0.002 0.000 0.214 202 L C 2.422 179.425 176.870 0.223 0.000 1.119 202 L CA 0.704 55.702 54.840 0.263 0.000 0.809 202 L CB -0.479 41.724 42.059 0.241 0.000 0.933 202 L HN 0.376 nan 8.230 nan 0.000 0.449 203 E N 0.514 120.799 120.200 0.142 0.000 2.072 203 E HA -0.187 4.164 4.350 0.002 0.000 0.191 203 E C 2.284 178.939 176.600 0.091 0.000 0.985 203 E CA 1.047 57.510 56.400 0.104 0.000 0.801 203 E CB -0.002 29.739 29.700 0.069 0.000 0.750 203 E HN 0.453 nan 8.360 nan 0.000 0.452 204 I N 0.644 121.267 120.570 0.090 0.000 2.226 204 I HA -0.330 3.841 4.170 0.002 0.000 0.245 204 I C 2.350 178.500 176.117 0.055 0.000 1.100 204 I CA 0.788 62.130 61.300 0.069 0.000 1.374 204 I CB -0.199 37.846 38.000 0.074 0.000 1.057 204 I HN 0.252 nan 8.210 nan 0.000 0.413 205 C N 0.335 119.680 119.300 0.076 0.000 2.435 205 C HA -0.135 4.326 4.460 0.002 0.000 0.279 205 C C 2.389 177.266 174.990 -0.189 0.000 1.321 205 C CA 0.498 59.485 59.018 -0.052 0.000 1.752 205 C CB -1.038 26.701 27.740 -0.002 0.000 1.959 205 C HN 0.507 nan 8.230 nan 0.000 0.500 206 D N 0.534 120.944 120.400 0.017 0.000 2.144 206 D HA -0.150 4.491 4.640 0.002 0.000 0.199 206 D C 2.163 178.480 176.300 0.029 0.000 0.984 206 D CA 1.357 55.398 54.000 0.069 0.000 0.834 206 D CB -0.447 40.439 40.800 0.143 0.000 0.955 206 D HN 0.696 nan 8.370 nan 0.000 0.465 207 E N 0.241 120.457 120.200 0.027 0.000 2.107 207 E HA -0.080 4.271 4.350 0.002 0.000 0.191 207 E C 1.952 178.561 176.600 0.016 0.000 0.982 207 E CA 0.877 57.292 56.400 0.026 0.000 0.809 207 E CB 0.010 29.726 29.700 0.027 0.000 0.756 207 E HN 0.140 nan 8.360 nan 0.000 0.459 208 A N 1.301 124.121 122.820 0.001 0.000 1.933 208 A HA -0.144 4.177 4.320 0.002 0.000 0.218 208 A C 2.160 179.759 177.584 0.025 0.000 1.175 208 A CA 1.282 53.321 52.037 0.002 0.000 0.628 208 A CB -0.654 18.345 19.000 -0.000 0.000 0.814 208 A HN 0.407 nan 8.150 nan 0.000 0.444 209 L N -0.166 121.061 121.223 0.006 0.000 2.046 209 L HA -0.167 4.173 4.340 0.002 0.000 0.208 209 L C 2.450 179.377 176.870 0.096 0.000 1.077 209 L CA 2.218 57.102 54.840 0.073 0.000 0.747 209 L CB -0.902 41.169 42.059 0.020 0.000 0.896 209 L HN 0.458 nan 8.230 nan 0.000 0.432 210 C N -0.428 118.912 119.300 0.067 0.000 2.413 210 C HA -0.201 4.260 4.460 0.002 0.000 0.276 210 C C 2.701 177.729 174.990 0.063 0.000 1.248 210 C CA 1.152 60.209 59.018 0.066 0.000 1.742 210 C CB -1.097 26.674 27.740 0.051 0.000 2.017 210 C HN 0.634 nan 8.230 nan 0.000 0.481 211 Q N 0.657 120.486 119.800 0.048 0.000 2.079 211 Q HA -0.112 4.229 4.340 0.002 0.000 0.200 211 Q C 2.536 178.569 176.000 0.055 0.000 0.974 211 Q CA 1.718 57.543 55.803 0.038 0.000 0.840 211 Q CB -0.355 28.391 28.738 0.014 0.000 0.898 211 Q HN 0.748 nan 8.270 nan 0.000 0.430 212 A N 0.419 123.280 122.820 0.068 0.000 1.902 212 A HA -0.145 4.176 4.320 0.002 0.000 0.217 212 A C 2.346 180.046 177.584 0.193 0.000 1.181 212 A CA 1.365 53.484 52.037 0.137 0.000 0.623 212 A CB -0.759 18.329 19.000 0.147 0.000 0.818 212 A HN 0.214 nan 8.150 nan 0.000 0.443 213 V N -0.010 119.999 119.914 0.159 0.000 2.343 213 V HA -0.269 3.852 4.120 0.002 0.000 0.247 213 V C 2.670 178.822 176.094 0.096 0.000 1.051 213 V CA 2.233 64.614 62.300 0.135 0.000 1.036 213 V CB -0.796 31.099 31.823 0.119 0.000 0.654 213 V HN 0.517 nan 8.190 nan 0.000 0.451 214 R N 0.046 120.594 120.500 0.080 0.000 2.070 214 R HA -0.143 4.198 4.340 0.002 0.000 0.233 214 R C 2.364 178.699 176.300 0.058 0.000 1.137 214 R CA 1.871 58.006 56.100 0.058 0.000 0.945 214 R CB -0.712 29.616 30.300 0.048 0.000 0.845 214 R HN 0.602 nan 8.270 nan 0.000 0.430 215 V N -0.844 119.115 119.914 0.074 0.000 2.515 215 V HA -0.116 4.005 4.120 0.002 0.000 0.250 215 V C 1.869 177.998 176.094 0.058 0.000 1.058 215 V CA 1.589 63.932 62.300 0.071 0.000 1.064 215 V CB -0.536 31.344 31.823 0.095 0.000 0.675 215 V HN 0.209 nan 8.190 nan 0.000 0.461 216 L N 1.090 122.355 121.223 0.071 0.000 2.418 216 L HA 0.388 4.729 4.340 0.002 0.000 0.218 216 L C 2.004 178.882 176.870 0.012 0.000 1.125 216 L CA 0.817 55.665 54.840 0.013 0.000 0.835 216 L CB -0.741 41.325 42.059 0.012 0.000 0.953 216 L HN 0.631 nan 8.230 nan 0.000 0.454 217 G N 0.614 109.432 108.800 0.031 0.000 2.160 217 G HA2 -0.256 3.705 3.960 0.002 0.000 0.251 217 G HA3 -0.256 3.705 3.960 0.002 0.000 0.251 217 G C 0.254 175.170 174.900 0.027 0.000 1.008 217 G CA 0.130 45.245 45.100 0.024 0.000 0.724 217 G HN 0.114 nan 8.290 nan 0.000 0.514 218 V N 0.480 120.419 119.914 0.042 0.000 2.655 218 V HA 0.235 4.356 4.120 0.002 0.000 0.300 218 V C 1.414 177.524 176.094 0.027 0.000 1.044 218 V CA 0.555 62.880 62.300 0.041 0.000 1.095 218 V CB 1.423 33.289 31.823 0.072 0.000 0.952 218 V HN 0.306 nan 8.190 nan 0.000 0.485 219 K N 3.493 123.898 120.400 0.009 0.000 2.354 219 K HA 0.295 4.616 4.320 0.002 0.000 0.194 219 K C -0.288 176.307 176.600 -0.008 0.000 1.045 219 K CA 0.151 56.438 56.287 -0.001 0.000 1.026 219 K CB 0.444 32.937 32.500 -0.013 0.000 0.866 219 K HN 0.420 nan 8.250 nan 0.000 0.530 220 L N 0.779 121.991 121.223 -0.018 0.000 2.439 220 L HA 0.350 4.691 4.340 0.002 0.000 0.270 220 L C -1.396 175.448 176.870 -0.044 0.000 0.972 220 L CA -0.760 54.058 54.840 -0.038 0.000 0.836 220 L CB 2.090 44.108 42.059 -0.069 0.000 1.255 220 L HN -0.286 nan 8.230 nan 0.000 0.404 221 V N 6.604 126.508 119.914 -0.017 0.000 2.370 221 V HA 0.457 4.578 4.120 0.002 0.000 0.279 221 V C 0.171 176.243 176.094 -0.037 0.000 1.029 221 V CA -0.290 62.011 62.300 0.003 0.000 0.870 221 V CB 1.418 33.282 31.823 0.068 0.000 0.984 221 V HN 0.591 nan 8.190 nan 0.000 0.451 222 I N 4.485 124.990 120.570 -0.108 0.000 2.328 222 I HA 0.403 4.574 4.170 0.002 0.000 0.287 222 I C 1.065 177.239 176.117 0.095 0.000 1.012 222 I CA -0.177 61.075 61.300 -0.081 0.000 1.195 222 I CB 1.335 39.144 38.000 -0.319 0.000 1.350 222 I HN 0.714 nan 8.210 nan 0.000 0.464 223 G N 5.999 114.877 108.800 0.130 0.000 2.361 223 G HA2 0.340 4.301 3.960 0.002 0.000 0.260 223 G HA3 0.340 4.301 3.960 0.002 0.000 0.260 223 G C -0.133 174.927 174.900 0.268 0.000 1.261 223 G CA -0.266 44.952 45.100 0.197 0.000 0.897 223 G HN 0.393 nan 8.290 nan 0.000 0.499 224 V N 3.256 123.383 119.914 0.355 0.000 2.356 224 V HA 0.637 4.758 4.120 0.002 0.000 0.258 224 V C 0.999 177.360 176.094 0.444 0.000 1.065 224 V CA 0.787 63.319 62.300 0.388 0.000 0.935 224 V CB -0.372 31.688 31.823 0.394 0.000 1.061 224 V HN 1.553 nan 8.190 nan 0.000 0.484 225 G N 5.286 114.323 108.800 0.394 0.000 2.692 225 G HA2 -0.136 3.825 3.960 0.002 0.000 0.686 225 G HA3 -0.136 3.825 3.960 0.002 0.000 0.686 225 G C 0.290 175.343 174.900 0.255 0.000 1.243 225 G CA -0.580 44.746 45.100 0.376 0.000 0.782 225 G HN 0.467 nan 8.290 nan 0.000 0.625 226 R N 0.494 121.113 120.500 0.198 0.000 2.092 226 R HA -0.031 4.310 4.340 0.002 0.000 0.231 226 R C 2.348 178.713 176.300 0.108 0.000 1.119 226 R CA 2.112 58.291 56.100 0.130 0.000 0.970 226 R CB -0.831 29.533 30.300 0.106 0.000 0.864 226 R HN 0.688 nan 8.270 nan 0.000 0.440 227 F N 1.858 121.829 119.950 0.034 0.000 2.069 227 F HA -0.235 4.293 4.527 0.002 0.000 0.298 227 F C 2.152 177.947 175.800 -0.009 0.000 1.113 227 F CA 1.862 59.860 58.000 -0.004 0.000 1.214 227 F CB -0.235 38.746 39.000 -0.031 0.000 0.978 227 F HN -0.096 nan 8.300 nan 0.000 0.474 228 S N -0.151 115.620 115.700 0.118 0.000 2.383 228 S HA -0.214 4.257 4.470 0.002 0.000 0.227 228 S C 1.909 176.479 174.600 -0.050 0.000 1.026 228 S CA 1.190 59.397 58.200 0.012 0.000 0.981 228 S CB -0.514 62.836 63.200 0.251 0.000 0.818 228 S HN 0.619 nan 8.310 nan 0.000 0.472 229 E N 1.437 121.650 120.200 0.020 0.000 2.038 229 E HA -0.243 4.108 4.350 0.002 0.000 0.195 229 E C 2.071 178.640 176.600 -0.051 0.000 1.000 229 E CA 1.281 57.692 56.400 0.018 0.000 0.803 229 E CB -0.150 29.581 29.700 0.052 0.000 0.750 229 E HN 0.560 nan 8.360 nan 0.000 0.448 230 Q N -0.267 119.468 119.800 -0.108 0.000 2.119 230 Q HA -0.167 4.174 4.340 0.002 0.000 0.201 230 Q C 2.308 178.197 176.000 -0.185 0.000 0.972 230 Q CA 1.291 57.019 55.803 -0.126 0.000 0.847 230 Q CB -0.089 28.576 28.738 -0.121 0.000 0.903 230 Q HN 0.053 nan 8.270 nan 0.000 0.433 231 R N 0.912 121.198 120.500 -0.356 0.000 2.066 231 R HA -0.093 4.248 4.340 0.002 0.000 0.232 231 R C 2.055 178.272 176.300 -0.137 0.000 1.131 231 R CA 1.560 57.431 56.100 -0.382 0.000 0.955 231 R CB -0.586 29.212 30.300 -0.837 0.000 0.851 231 R HN 0.248 nan 8.270 nan 0.000 0.432 232 A N 0.478 123.258 122.820 -0.066 0.000 1.902 232 A HA -0.178 4.142 4.320 0.002 0.000 0.217 232 A C 2.226 179.833 177.584 0.037 0.000 1.181 232 A CA 1.635 53.709 52.037 0.062 0.000 0.623 232 A CB -0.609 18.451 19.000 0.100 0.000 0.818 232 A HN 0.401 nan 8.150 nan 0.000 0.443 233 R N -0.403 120.099 120.500 0.003 0.000 2.073 233 R HA -0.177 4.164 4.340 0.002 0.000 0.234 233 R C 2.142 178.446 176.300 0.006 0.000 1.134 233 R CA 2.014 58.117 56.100 0.006 0.000 0.952 233 R CB -0.240 30.057 30.300 -0.005 0.000 0.850 233 R HN 0.414 nan 8.270 nan 0.000 0.433 234 K N -0.074 120.320 120.400 -0.010 0.000 2.026 234 K HA -0.082 4.239 4.320 0.002 0.000 0.208 234 K C 1.948 178.560 176.600 0.019 0.000 1.048 234 K CA 1.651 57.936 56.287 -0.003 0.000 0.929 234 K CB -0.210 32.277 32.500 -0.021 0.000 0.713 234 K HN 0.302 nan 8.250 nan 0.000 0.439 235 A N 0.463 123.305 122.820 0.037 0.000 1.877 235 A HA -0.131 4.190 4.320 0.002 0.000 0.216 235 A C 2.081 179.698 177.584 0.056 0.000 1.186 235 A CA 1.416 53.491 52.037 0.064 0.000 0.620 235 A CB -0.606 18.464 19.000 0.116 0.000 0.822 235 A HN 0.216 nan 8.150 nan 0.000 0.443 236 L N -1.426 119.831 121.223 0.056 0.000 2.179 236 L HA -0.047 4.294 4.340 0.002 0.000 0.208 236 L C 2.758 179.649 176.870 0.036 0.000 1.096 236 L CA 0.887 55.758 54.840 0.051 0.000 0.779 236 L CB -0.377 41.717 42.059 0.058 0.000 0.922 236 L HN 0.370 nan 8.230 nan 0.000 0.443 237 M N -0.561 119.056 119.600 0.029 0.000 2.254 237 M HA -0.115 4.366 4.480 0.002 0.000 0.265 237 M C 2.497 178.809 176.300 0.020 0.000 1.066 237 M CA 1.488 56.800 55.300 0.021 0.000 1.123 237 M CB -0.392 32.217 32.600 0.015 0.000 1.388 237 M HN 0.307 nan 8.290 nan 0.000 0.425 238 A N 0.180 123.013 122.820 0.023 0.000 1.933 238 A HA -0.130 4.191 4.320 0.002 0.000 0.218 238 A C 1.877 179.474 177.584 0.023 0.000 1.175 238 A CA 1.438 53.488 52.037 0.022 0.000 0.628 238 A CB -0.334 18.681 19.000 0.024 0.000 0.814 238 A HN 0.361 nan 8.150 nan 0.000 0.444 239 E N -1.175 119.041 120.200 0.027 0.000 2.479 239 E HA 0.197 4.548 4.350 0.002 0.000 0.193 239 E C 1.093 177.707 176.600 0.023 0.000 1.049 239 E CA 0.579 56.995 56.400 0.026 0.000 0.870 239 E CB -0.293 29.425 29.700 0.031 0.000 0.944 239 E HN 0.762 nan 8.360 nan 0.000 0.492 240 G N 2.113 110.926 108.800 0.022 0.000 2.246 240 G HA2 -0.245 3.716 3.960 0.002 0.000 0.273 240 G HA3 -0.245 3.716 3.960 0.002 0.000 0.273 240 G C 0.222 175.135 174.900 0.021 0.000 1.055 240 G CA -0.044 45.068 45.100 0.019 0.000 0.851 240 G HN 0.141 nan 8.290 nan 0.000 0.500 241 I N 0.505 121.091 120.570 0.026 0.000 2.588 241 I HA 0.147 4.318 4.170 0.002 0.000 0.283 241 I C 0.693 176.825 176.117 0.024 0.000 1.119 241 I CA -0.916 60.401 61.300 0.028 0.000 1.419 241 I CB 1.006 39.029 38.000 0.038 0.000 1.394 241 I HN 0.165 nan 8.210 nan 0.000 0.562 242 D N 6.313 126.726 120.400 0.021 0.000 2.498 242 D HA 0.292 4.933 4.640 0.002 0.000 0.229 242 D C -0.726 175.584 176.300 0.017 0.000 1.188 242 D CA 0.325 54.334 54.000 0.016 0.000 1.028 242 D CB 0.079 40.887 40.800 0.013 0.000 1.087 242 D HN 0.294 nan 8.370 nan 0.000 0.510 243 V N 2.442 122.366 119.914 0.018 0.000 3.077 243 V HA 0.422 4.543 4.120 0.002 0.000 0.299 243 V C -0.697 175.405 176.094 0.014 0.000 1.276 243 V CA -0.555 61.756 62.300 0.018 0.000 0.993 243 V CB 2.351 34.193 31.823 0.032 0.000 1.076 243 V HN 0.361 nan 8.190 nan 0.000 0.434 244 T N 4.781 119.339 114.554 0.007 0.000 2.867 244 T HA 0.702 5.053 4.350 0.002 0.000 0.282 244 T C -0.722 173.981 174.700 0.004 0.000 1.000 244 T CA -0.342 61.760 62.100 0.003 0.000 1.042 244 T CB 1.526 70.390 68.868 -0.007 0.000 0.973 244 T HN 0.616 nan 8.240 nan 0.000 0.465 245 V N 4.404 124.323 119.914 0.008 0.000 2.487 245 V HA 0.576 4.696 4.120 0.002 0.000 0.298 245 V C -0.143 175.956 176.094 0.008 0.000 1.028 245 V CA -0.833 61.475 62.300 0.012 0.000 0.860 245 V CB 1.636 33.473 31.823 0.023 0.000 0.991 245 V HN 0.710 nan 8.190 nan 0.000 0.427 246 K N 2.087 122.490 120.400 0.005 0.000 2.197 246 K HA 0.870 5.191 4.320 0.002 0.000 0.247 246 K C -0.138 176.481 176.600 0.031 0.000 1.077 246 K CA -0.625 55.668 56.287 0.010 0.000 0.882 246 K CB 2.491 34.988 32.500 -0.005 0.000 1.396 246 K HN 0.841 nan 8.250 nan 0.000 0.482 247 G N 0.371 109.198 108.800 0.046 0.000 2.690 247 G HA2 0.692 4.653 3.960 0.002 0.000 0.293 247 G HA3 0.692 4.653 3.960 0.002 0.000 0.293 247 G C -0.988 173.972 174.900 0.100 0.000 1.399 247 G CA -0.731 44.422 45.100 0.087 0.000 0.890 247 G HN 0.534 nan 8.290 nan 0.000 0.485 248 I N -1.870 118.794 120.570 0.157 0.000 3.108 248 I HA 0.703 4.874 4.170 0.002 0.000 0.312 248 I C 0.053 176.289 176.117 0.198 0.000 1.095 248 I CA -1.520 59.868 61.300 0.147 0.000 1.000 248 I CB 2.406 40.510 38.000 0.172 0.000 1.229 248 I HN 0.568 nan 8.210 nan 0.000 0.454 249 M N 3.283 122.987 119.600 0.173 0.000 2.239 249 M HA 0.138 4.619 4.480 0.002 0.000 0.348 249 M C -0.114 176.494 176.300 0.513 0.000 1.239 249 M CA 0.022 55.494 55.300 0.287 0.000 1.114 249 M CB 0.277 33.009 32.600 0.220 0.000 1.641 249 M HN 0.660 nan 8.290 nan 0.000 0.453 250 H N 6.676 125.951 119.070 0.343 0.000 2.764 250 H HA 0.196 4.753 4.556 0.001 0.000 0.341 250 H C -2.055 173.354 175.328 0.135 0.000 1.072 250 H CA -1.232 54.978 56.048 0.271 0.000 1.444 250 H CB 1.160 31.025 29.762 0.172 0.000 1.458 250 H HN 0.481 nan 8.280 nan 0.000 0.572 251 P HA -0.043 nan 4.420 nan 0.000 0.249 251 P C 0.439 177.533 177.300 -0.344 0.000 1.229 251 P CA 0.038 62.549 63.100 -0.980 0.000 0.788 251 P CB 0.108 30.836 31.700 -1.620 0.000 1.072 252 S N 2.546 118.350 115.700 0.174 0.000 2.552 252 S HA 0.072 4.543 4.470 0.002 0.000 0.289 252 S C -0.954 173.648 174.600 0.003 0.000 1.304 252 S CA -0.913 57.356 58.200 0.115 0.000 1.063 252 S CB 0.102 63.367 63.200 0.108 0.000 0.848 252 S HN 0.028 nan 8.310 nan 0.000 0.499 253 P HA -0.054 nan 4.420 nan 0.000 0.225 253 P C 0.865 178.162 177.300 -0.005 0.000 1.148 253 P CA 0.663 63.755 63.100 -0.014 0.000 0.779 253 P CB 0.091 31.785 31.700 -0.010 0.000 0.780 254 R N -0.632 119.861 120.500 -0.011 0.000 2.276 254 R HA 0.043 4.384 4.340 0.002 0.000 0.203 254 R C 0.802 177.097 176.300 -0.008 0.000 1.017 254 R CA 0.182 56.271 56.100 -0.019 0.000 1.010 254 R CB -1.019 29.253 30.300 -0.046 0.000 0.900 254 R HN 0.191 nan 8.270 nan 0.000 0.469 255 N N 2.003 120.711 118.700 0.013 0.000 2.439 255 N HA 0.087 4.827 4.740 0.002 0.000 0.243 255 N C -1.993 173.546 175.510 0.049 0.000 1.088 255 N CA -2.184 50.892 53.050 0.042 0.000 0.940 255 N CB 1.427 39.968 38.487 0.090 0.000 1.180 255 N HN -0.158 nan 8.380 nan 0.000 0.505 256 P HA -0.139 nan 4.420 nan 0.000 0.218 256 P C 0.942 178.275 177.300 0.054 0.000 1.148 256 P CA 1.216 64.338 63.100 0.037 0.000 0.822 256 P CB 0.336 32.053 31.700 0.027 0.000 0.784 257 Q N -0.945 118.897 119.800 0.069 0.000 2.226 257 Q HA -0.081 4.260 4.340 0.002 0.000 0.204 257 Q C 1.922 177.998 176.000 0.127 0.000 0.975 257 Q CA 1.399 57.254 55.803 0.086 0.000 0.866 257 Q CB -0.461 28.331 28.738 0.091 0.000 0.915 257 Q HN 0.216 nan 8.270 nan 0.000 0.440 258 A N 0.647 123.559 122.820 0.153 0.000 2.208 258 A HA -0.053 4.268 4.320 0.002 0.000 0.209 258 A C 1.400 179.063 177.584 0.132 0.000 1.161 258 A CA 0.282 52.447 52.037 0.212 0.000 0.782 258 A CB -0.026 19.062 19.000 0.148 0.000 0.816 258 A HN 0.246 nan 8.150 nan 0.000 0.477 259 N N 0.477 119.226 118.700 0.081 0.000 2.244 259 N HA -0.081 4.660 4.740 0.002 0.000 0.183 259 N C 0.714 176.258 175.510 0.056 0.000 1.016 259 N CA 1.092 54.173 53.050 0.052 0.000 0.866 259 N CB -0.053 38.455 38.487 0.035 0.000 0.980 259 N HN 0.609 nan 8.380 nan 0.000 0.430 260 K N -0.206 120.233 120.400 0.066 0.000 2.450 260 K HA 0.373 4.694 4.320 0.002 0.000 0.257 260 K C -0.165 176.473 176.600 0.064 0.000 0.953 260 K CA -0.249 56.070 56.287 0.053 0.000 0.844 260 K CB 0.997 33.516 32.500 0.032 0.000 1.103 260 K HN 0.136 nan 8.250 nan 0.000 0.429 261 G N 4.611 113.449 108.800 0.064 0.000 2.198 261 G HA2 -0.257 3.704 3.960 0.002 0.000 0.257 261 G HA3 -0.257 3.704 3.960 0.002 0.000 0.257 261 G C 0.305 175.234 174.900 0.049 0.000 1.042 261 G CA 0.479 45.600 45.100 0.036 0.000 0.791 261 G HN 0.943 nan 8.290 nan 0.000 0.502 262 W N 0.165 121.431 121.300 -0.056 0.000 2.318 262 W HA -0.127 4.535 4.660 0.002 0.000 0.313 262 W C 2.110 178.565 176.519 -0.107 0.000 1.221 262 W CA 2.372 59.676 57.345 -0.068 0.000 1.266 262 W CB -0.055 29.364 29.460 -0.068 0.000 1.150 262 W HN 0.501 nan 8.180 nan 0.000 0.496 263 E N -0.643 119.545 120.200 -0.021 0.000 2.077 263 E HA -0.154 4.197 4.350 0.002 0.000 0.193 263 E C 2.399 178.770 176.600 -0.382 0.000 0.989 263 E CA 1.810 58.027 56.400 -0.305 0.000 0.800 263 E CB -0.868 28.779 29.700 -0.088 0.000 0.746 263 E HN 0.325 nan 8.360 nan 0.000 0.452 264 G N 0.967 109.632 108.800 -0.225 0.000 2.418 264 G HA2 -0.230 3.731 3.960 0.002 0.000 0.217 264 G HA3 -0.230 3.731 3.960 0.002 0.000 0.217 264 G C 1.582 176.345 174.900 -0.230 0.000 1.158 264 G CA 0.907 45.892 45.100 -0.191 0.000 0.771 264 G HN 0.257 nan 8.290 nan 0.000 0.545 265 I N 0.274 120.689 120.570 -0.258 0.000 2.179 265 I HA -0.160 4.011 4.170 0.002 0.000 0.242 265 I C 2.747 178.658 176.117 -0.344 0.000 1.088 265 I CA 0.656 61.805 61.300 -0.252 0.000 1.357 265 I CB -0.191 37.681 38.000 -0.213 0.000 1.051 265 I HN 0.027 nan 8.210 nan 0.000 0.409 266 V N 0.440 119.993 119.914 -0.602 0.000 2.548 266 V HA -0.209 3.912 4.120 0.002 0.000 0.249 266 V C 2.511 178.354 176.094 -0.418 0.000 1.055 266 V CA 1.541 63.470 62.300 -0.618 0.000 1.065 266 V CB -0.719 30.407 31.823 -1.162 0.000 0.681 266 V HN 0.332 nan 8.190 nan 0.000 0.462 267 R N 0.195 120.452 120.500 -0.403 0.000 2.091 267 R HA -0.142 4.199 4.340 0.002 0.000 0.238 267 R C 2.469 178.668 176.300 -0.170 0.000 1.136 267 R CA 1.629 57.570 56.100 -0.265 0.000 0.959 267 R CB -0.840 29.319 30.300 -0.235 0.000 0.856 267 R HN 0.591 nan 8.270 nan 0.000 0.437 268 G N 0.403 109.105 108.800 -0.164 0.000 2.440 268 G HA2 -0.293 3.668 3.960 0.002 0.000 0.218 268 G HA3 -0.293 3.668 3.960 0.002 0.000 0.218 268 G C 1.207 176.053 174.900 -0.090 0.000 1.154 268 G CA 0.510 45.543 45.100 -0.111 0.000 0.767 268 G HN 0.359 nan 8.290 nan 0.000 0.552 269 Q N -0.338 119.397 119.800 -0.109 0.000 2.119 269 Q HA 0.103 4.444 4.340 0.002 0.000 0.201 269 Q C 2.665 178.641 176.000 -0.039 0.000 0.972 269 Q CA 0.690 56.451 55.803 -0.070 0.000 0.847 269 Q CB -0.209 28.484 28.738 -0.075 0.000 0.903 269 Q HN 0.430 nan 8.270 nan 0.000 0.433 270 L N 0.432 121.629 121.223 -0.044 0.000 2.093 270 L HA -0.180 4.161 4.340 0.002 0.000 0.208 270 L C 2.390 179.263 176.870 0.005 0.000 1.085 270 L CA 0.696 55.545 54.840 0.015 0.000 0.755 270 L CB -0.378 41.705 42.059 0.039 0.000 0.904 270 L HN 0.294 nan 8.230 nan 0.000 0.435 271 L N -0.015 121.195 121.223 -0.022 0.000 2.012 271 L HA -0.264 4.077 4.340 0.002 0.000 0.210 271 L C 2.429 179.290 176.870 -0.015 0.000 1.073 271 L CA 1.658 56.486 54.840 -0.019 0.000 0.748 271 L CB -0.081 41.958 42.059 -0.034 0.000 0.891 271 L HN 0.257 nan 8.230 nan 0.000 0.431 272 E N -0.365 119.823 120.200 -0.020 0.000 2.204 272 E HA -0.183 4.168 4.350 0.002 0.000 0.194 272 E C 2.127 178.720 176.600 -0.011 0.000 0.989 272 E CA 0.979 57.369 56.400 -0.017 0.000 0.824 272 E CB -0.036 29.652 29.700 -0.020 0.000 0.756 272 E HN 0.522 nan 8.360 nan 0.000 0.477 273 L N -0.765 120.454 121.223 -0.007 0.000 2.478 273 L HA 0.090 4.431 4.340 0.002 0.000 0.223 273 L C 1.342 178.206 176.870 -0.009 0.000 1.140 273 L CA 0.472 55.307 54.840 -0.008 0.000 0.842 273 L CB -0.040 42.016 42.059 -0.005 0.000 0.953 273 L HN 0.344 nan 8.230 nan 0.000 0.452 274 G N 0.061 108.859 108.800 -0.004 0.000 2.136 274 G HA2 -0.265 3.696 3.960 0.002 0.000 0.242 274 G HA3 -0.265 3.696 3.960 0.002 0.000 0.242 274 G C 0.710 175.611 174.900 0.001 0.000 0.989 274 G CA 0.405 45.502 45.100 -0.005 0.000 0.682 274 G HN 0.288 nan 8.290 nan 0.000 0.522 275 V N -2.010 117.915 119.914 0.019 0.000 3.660 275 V HA 0.451 4.572 4.120 0.002 0.000 0.276 275 V C 2.369 178.507 176.094 0.072 0.000 1.317 275 V CA 1.064 63.388 62.300 0.039 0.000 1.097 275 V CB -0.222 31.636 31.823 0.058 0.000 0.863 275 V HN 0.316 nan 8.190 nan 0.000 0.438 276 L N 1.123 122.383 121.223 0.061 0.000 2.131 276 L HA -0.126 4.215 4.340 0.002 0.000 0.210 276 L C 2.912 179.820 176.870 0.064 0.000 1.092 276 L CA 1.999 56.880 54.840 0.068 0.000 0.759 276 L CB -0.572 41.508 42.059 0.036 0.000 0.903 276 L HN 0.569 nan 8.230 nan 0.000 0.435 277 S N 0.314 116.039 115.700 0.043 0.000 2.368 277 S HA -0.142 4.329 4.470 0.002 0.000 0.224 277 S C 1.986 176.621 174.600 0.058 0.000 1.029 277 S CA 1.019 59.243 58.200 0.039 0.000 0.988 277 S CB -0.153 63.057 63.200 0.016 0.000 0.838 277 S HN 0.345 nan 8.310 nan 0.000 0.462 278 L N 0.629 121.883 121.223 0.051 0.000 2.141 278 L HA 0.053 4.394 4.340 0.002 0.000 0.209 278 L C 2.199 179.160 176.870 0.151 0.000 1.094 278 L CA 0.870 55.762 54.840 0.087 0.000 0.763 278 L CB -0.327 41.745 42.059 0.022 0.000 0.908 278 L HN 0.332 nan 8.230 nan 0.000 0.437 279 L N -1.016 120.285 121.223 0.131 0.000 2.492 279 L HA 0.028 4.369 4.340 0.002 0.000 0.223 279 L C 1.225 178.197 176.870 0.169 0.000 1.132 279 L CA 0.159 55.097 54.840 0.164 0.000 0.850 279 L CB -0.436 41.770 42.059 0.246 0.000 0.966 279 L HN 0.372 nan 8.230 nan 0.000 0.454 280 T N 0.000 114.634 114.554 0.133 0.000 3.816 280 T HA 0.000 4.351 4.350 0.002 0.000 0.228 280 T CA 0.000 62.169 62.100 0.116 0.000 1.349 280 T CB 0.000 68.920 68.868 0.087 0.000 0.612 280 T HN 0.000 nan 8.240 nan 0.000 0.658