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 3eth_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKQVCVLGNG QLGRMLRQAG EPLGIAVWPV GLDAEPAAVP FQQSVITAEI DATA SEQUENCE ERWPETALTR QLARHPAFVN RDVFPIIADR LTQKQLFDKL HLPTAPWQLL DATA SEQUENCE AERSEWPAVF DRLGELAIVK RRTGGYDGRG QWRLRANETE QLPAECYGEC DATA SEQUENCE IVEQGINFSG EVSLVGARGF DGSTVFYPLT HNLHQDGILR TSVAFPQANA DATA SEQUENCE QQQARAEEML SAIMQELGYV GVMAMECFVT PQGLLINELA PRVHNSGHWT DATA SEQUENCE QNGASISQFE LHLRAITDLP LPQPVVNNPS VMINLIGSDV NYDWLKLPLV DATA SEQUENCE HLHWYDKEVR PGRKVGHLNL TDSDTSRLTA TLEALIPLLP PEYASGVIWA DATA SEQUENCE QSKFG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.045 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 K N 2.438 122.863 120.400 0.042 0.000 2.616 2 K HA -0.080 4.240 4.320 -0.000 0.000 0.276 2 K C -0.435 176.210 176.600 0.075 0.000 0.979 2 K CA 1.286 57.606 56.287 0.056 0.000 1.055 2 K CB 0.353 32.880 32.500 0.045 0.000 0.826 2 K HN 0.544 nan 8.250 nan 0.000 0.490 3 Q N 1.293 121.160 119.800 0.112 0.000 2.337 3 Q HA 0.485 4.825 4.340 -0.000 0.000 0.270 3 Q C -1.273 174.828 176.000 0.167 0.000 1.043 3 Q CA -0.851 55.062 55.803 0.184 0.000 0.794 3 Q CB 2.375 31.259 28.738 0.242 0.000 1.281 3 Q HN 0.252 nan 8.270 nan 0.000 0.446 4 V N 1.199 121.216 119.914 0.171 0.000 2.841 4 V HA 0.446 4.566 4.120 -0.000 0.000 0.310 4 V C -0.704 175.512 176.094 0.204 0.000 1.090 4 V CA -0.700 61.686 62.300 0.144 0.000 0.930 4 V CB 2.339 34.214 31.823 0.086 0.000 1.014 4 V HN 0.878 nan 8.190 nan 0.000 0.425 5 C N 3.575 122.971 119.300 0.161 0.000 2.382 5 C HA 0.757 5.217 4.460 -0.000 0.000 0.327 5 C C 0.005 175.029 174.990 0.057 0.000 1.250 5 C CA -0.617 58.490 59.018 0.149 0.000 1.707 5 C CB 1.311 29.101 27.740 0.084 0.000 2.272 5 C HN 0.641 nan 8.230 nan 0.000 0.506 6 V N 4.834 124.775 119.914 0.044 0.000 2.384 6 V HA 0.333 4.453 4.120 -0.000 0.000 0.287 6 V C -0.140 175.909 176.094 -0.074 0.000 1.020 6 V CA -0.497 61.807 62.300 0.007 0.000 0.850 6 V CB 1.386 33.225 31.823 0.026 0.000 0.987 6 V HN 0.685 nan 8.190 nan 0.000 0.436 7 L N 5.231 126.358 121.223 -0.160 0.000 2.360 7 L HA 0.767 5.107 4.340 -0.000 0.000 0.276 7 L C 0.511 177.267 176.870 -0.189 0.000 1.121 7 L CA 1.291 55.969 54.840 -0.269 0.000 0.845 7 L CB 0.247 41.999 42.059 -0.512 0.000 1.143 7 L HN 1.027 nan 8.230 nan 0.000 0.452 8 G N 3.792 112.496 108.800 -0.160 0.000 2.885 8 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.685 8 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.685 8 G C -0.286 174.563 174.900 -0.085 0.000 1.216 8 G CA -0.538 44.493 45.100 -0.115 0.000 0.790 8 G HN 0.669 nan 8.290 nan 0.000 0.631 9 N N 0.182 118.836 118.700 -0.077 0.000 2.273 9 N HA 0.341 5.081 4.740 -0.000 0.000 0.231 9 N C 1.209 176.671 175.510 -0.081 0.000 1.134 9 N CA 0.903 53.913 53.050 -0.066 0.000 0.856 9 N CB 0.467 38.923 38.487 -0.051 0.000 1.068 9 N HN 0.968 nan 8.380 nan 0.000 0.510 10 G N -0.364 108.373 108.800 -0.104 0.000 2.531 10 G HA2 0.077 4.037 3.960 -0.000 0.000 0.281 10 G HA3 0.077 4.037 3.960 -0.000 0.000 0.281 10 G C 0.892 175.677 174.900 -0.192 0.000 1.382 10 G CA -0.153 44.863 45.100 -0.140 0.000 1.045 10 G HN 0.241 nan 8.290 nan 0.000 0.533 11 Q N -0.679 118.940 119.800 -0.301 0.000 2.226 11 Q HA -0.056 4.284 4.340 -0.000 0.000 0.204 11 Q C 2.320 178.092 176.000 -0.381 0.000 0.975 11 Q CA 1.034 56.543 55.803 -0.490 0.000 0.866 11 Q CB -0.489 27.541 28.738 -1.181 0.000 0.915 11 Q HN 0.541 nan 8.270 nan 0.000 0.440 12 L N 0.749 121.836 121.223 -0.226 0.000 2.017 12 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 12 L C 2.595 179.436 176.870 -0.049 0.000 1.073 12 L CA 1.416 56.226 54.840 -0.050 0.000 0.745 12 L CB -0.997 41.074 42.059 0.020 0.000 0.894 12 L HN 0.392 nan 8.230 nan 0.000 0.432 13 G N -0.281 108.470 108.800 -0.081 0.000 2.408 13 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 13 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 13 G C 1.753 176.590 174.900 -0.106 0.000 1.150 13 G CA 0.567 45.630 45.100 -0.062 0.000 0.776 13 G HN 0.284 nan 8.290 nan 0.000 0.542 14 R N -0.038 120.369 120.500 -0.155 0.000 2.081 14 R HA 0.039 4.379 4.340 -0.000 0.000 0.235 14 R C 2.390 178.547 176.300 -0.237 0.000 1.131 14 R CA 1.411 57.411 56.100 -0.165 0.000 0.960 14 R CB -0.390 29.822 30.300 -0.147 0.000 0.856 14 R HN 0.374 nan 8.270 nan 0.000 0.436 15 M N 0.684 120.048 119.600 -0.394 0.000 2.229 15 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 15 M C 2.242 178.172 176.300 -0.616 0.000 1.063 15 M CA 1.267 56.130 55.300 -0.728 0.000 1.114 15 M CB -0.075 31.671 32.600 -1.424 0.000 1.387 15 M HN 0.177 nan 8.290 nan 0.000 0.420 16 L N -0.594 120.477 121.223 -0.253 0.000 2.056 16 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 16 L C 2.690 179.530 176.870 -0.049 0.000 1.078 16 L CA 1.197 56.052 54.840 0.024 0.000 0.749 16 L CB -0.566 41.571 42.059 0.129 0.000 0.901 16 L HN 0.295 nan 8.230 nan 0.000 0.433 17 R N 0.042 120.478 120.500 -0.107 0.000 2.081 17 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 17 R C 2.301 178.525 176.300 -0.128 0.000 1.131 17 R CA 1.555 57.574 56.100 -0.134 0.000 0.960 17 R CB -0.094 30.114 30.300 -0.154 0.000 0.856 17 R HN 0.408 nan 8.270 nan 0.000 0.436 18 Q N -0.409 119.309 119.800 -0.137 0.000 2.084 18 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 18 Q C 2.138 178.090 176.000 -0.079 0.000 0.978 18 Q CA 1.740 57.477 55.803 -0.109 0.000 0.844 18 Q CB -0.122 28.540 28.738 -0.127 0.000 0.898 18 Q HN 0.460 nan 8.270 nan 0.000 0.426 19 A N 0.712 123.486 122.820 -0.076 0.000 1.930 19 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 19 A C 2.257 179.844 177.584 0.004 0.000 1.175 19 A CA 1.485 53.521 52.037 -0.002 0.000 0.627 19 A CB -0.995 18.057 19.000 0.086 0.000 0.815 19 A HN 0.481 nan 8.150 nan 0.000 0.443 20 G N -0.469 108.321 108.800 -0.016 0.000 2.422 20 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 20 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 20 G C 1.413 176.286 174.900 -0.044 0.000 1.146 20 G CA 1.057 46.142 45.100 -0.026 0.000 0.769 20 G HN 0.663 nan 8.290 nan 0.000 0.547 21 E N 0.889 121.049 120.200 -0.065 0.000 2.033 21 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 21 E C -0.065 176.513 176.600 -0.038 0.000 1.011 21 E CA 1.541 57.901 56.400 -0.067 0.000 0.815 21 E CB -0.345 29.308 29.700 -0.078 0.000 0.755 21 E HN 0.340 nan 8.360 nan 0.000 0.451 22 P HA -0.088 nan 4.420 nan 0.000 0.226 22 P C 0.828 178.125 177.300 -0.004 0.000 1.153 22 P CA 0.972 64.066 63.100 -0.010 0.000 0.777 22 P CB 0.011 31.711 31.700 -0.001 0.000 0.794 23 L N -2.223 118.998 121.223 -0.004 0.000 2.599 23 L HA 0.242 4.582 4.340 -0.000 0.000 0.230 23 L C 1.350 178.219 176.870 -0.002 0.000 1.141 23 L CA 0.613 55.454 54.840 0.002 0.000 0.877 23 L CB -0.995 41.069 42.059 0.009 0.000 1.009 23 L HN 0.110 nan 8.230 nan 0.000 0.447 24 G N 1.193 109.986 108.800 -0.011 0.000 2.137 24 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.237 24 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.237 24 G C 0.015 174.907 174.900 -0.013 0.000 1.002 24 G CA -0.194 44.900 45.100 -0.010 0.000 0.702 24 G HN 0.319 nan 8.290 nan 0.000 0.515 25 I N 0.985 121.539 120.570 -0.027 0.000 2.389 25 I HA 0.608 4.778 4.170 -0.000 0.000 0.288 25 I C 0.630 176.696 176.117 -0.085 0.000 0.999 25 I CA -0.780 60.503 61.300 -0.028 0.000 1.129 25 I CB 1.911 39.903 38.000 -0.013 0.000 1.288 25 I HN 0.246 nan 8.210 nan 0.000 0.444 26 A N 6.906 129.664 122.820 -0.104 0.000 2.354 26 A HA 0.637 4.957 4.320 -0.000 0.000 0.281 26 A C -0.369 176.984 177.584 -0.386 0.000 1.174 26 A CA -0.281 51.583 52.037 -0.289 0.000 0.828 26 A CB 0.434 19.314 19.000 -0.201 0.000 1.099 26 A HN 0.484 nan 8.150 nan 0.000 0.516 27 V N 2.785 122.382 119.914 -0.529 0.000 2.448 27 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 27 V C -1.139 174.640 176.094 -0.525 0.000 1.025 27 V CA -0.329 61.754 62.300 -0.363 0.000 0.859 27 V CB 1.185 32.906 31.823 -0.170 0.000 0.988 27 V HN 0.919 nan 8.190 nan 0.000 0.431 28 W N 6.302 127.596 121.300 -0.009 0.000 2.336 28 W HA 0.531 5.191 4.660 -0.000 0.000 0.315 28 W C -2.569 173.930 176.519 -0.033 0.000 1.016 28 W CA -2.424 54.908 57.345 -0.021 0.000 1.318 28 W CB 1.096 30.543 29.460 -0.021 0.000 1.247 28 W HN 0.316 nan 8.180 nan 0.000 0.414 29 P HA 0.160 nan 4.420 nan 0.000 0.282 29 P C -0.627 176.706 177.300 0.054 0.000 1.262 29 P CA -0.201 62.927 63.100 0.048 0.000 0.773 29 P CB 0.951 32.651 31.700 0.000 0.000 0.879 30 V N 1.230 121.146 119.914 0.003 0.000 2.407 30 V HA 0.798 4.918 4.120 -0.000 0.000 0.291 30 V C 0.496 176.543 176.094 -0.077 0.000 1.018 30 V CA -0.827 61.457 62.300 -0.026 0.000 0.842 30 V CB 1.180 32.976 31.823 -0.045 0.000 0.996 30 V HN 0.605 nan 8.190 nan 0.000 0.426 31 G N 2.457 111.222 108.800 -0.058 0.000 2.606 31 G HA2 0.410 4.370 3.960 -0.000 0.000 0.252 31 G HA3 0.410 4.370 3.960 -0.000 0.000 0.252 31 G C 0.578 175.420 174.900 -0.097 0.000 1.206 31 G CA -0.730 44.326 45.100 -0.073 0.000 0.861 31 G HN 0.860 nan 8.290 nan 0.000 0.561 32 L N 0.127 121.291 121.223 -0.099 0.000 2.191 32 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 32 L C 2.149 178.976 176.870 -0.072 0.000 1.103 32 L CA 1.432 56.208 54.840 -0.108 0.000 0.769 32 L CB -0.121 41.905 42.059 -0.054 0.000 0.908 32 L HN 0.698 nan 8.230 nan 0.000 0.438 33 D N -0.417 119.956 120.400 -0.045 0.000 2.325 33 D HA 0.071 4.711 4.640 -0.000 0.000 0.225 33 D C 0.802 177.085 176.300 -0.029 0.000 1.096 33 D CA 0.056 54.040 54.000 -0.028 0.000 0.844 33 D CB -0.088 40.704 40.800 -0.014 0.000 0.925 33 D HN 0.128 nan 8.370 nan 0.000 0.513 34 A N 0.565 123.360 122.820 -0.042 0.000 2.386 34 A HA 0.270 4.590 4.320 -0.000 0.000 0.246 34 A C 0.253 177.824 177.584 -0.021 0.000 1.089 34 A CA -0.320 51.699 52.037 -0.030 0.000 0.790 34 A CB 0.221 19.201 19.000 -0.033 0.000 1.042 34 A HN 0.172 nan 8.150 nan 0.000 0.497 35 E N 1.515 121.709 120.200 -0.010 0.000 2.167 35 E HA 0.325 4.675 4.350 -0.000 0.000 0.284 35 E C -1.901 174.715 176.600 0.025 0.000 1.016 35 E CA -2.046 54.354 56.400 0.001 0.000 0.817 35 E CB 0.959 30.656 29.700 -0.005 0.000 1.080 35 E HN 0.279 nan 8.360 nan 0.000 0.397 36 P HA -0.204 nan 4.420 nan 0.000 0.216 36 P C 0.855 178.274 177.300 0.199 0.000 1.150 36 P CA 1.503 64.721 63.100 0.197 0.000 0.837 36 P CB 0.101 31.894 31.700 0.155 0.000 0.786 37 A N 0.449 123.314 122.820 0.075 0.000 2.024 37 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 37 A C 2.352 179.892 177.584 -0.074 0.000 1.164 37 A CA 2.067 54.103 52.037 -0.002 0.000 0.643 37 A CB -1.333 17.664 19.000 -0.005 0.000 0.806 37 A HN 0.275 nan 8.150 nan 0.000 0.451 38 A N -0.854 121.929 122.820 -0.063 0.000 2.132 38 A HA 0.407 4.727 4.320 -0.000 0.000 0.213 38 A C 0.770 178.244 177.584 -0.182 0.000 1.154 38 A CA 0.388 52.357 52.037 -0.113 0.000 0.753 38 A CB -0.189 18.767 19.000 -0.075 0.000 0.826 38 A HN 0.298 nan 8.150 nan 0.000 0.469 39 V N 1.418 121.250 119.914 -0.136 0.000 2.455 39 V HA 0.223 4.343 4.120 -0.000 0.000 0.273 39 V C -2.356 173.476 176.094 -0.436 0.000 1.045 39 V CA -1.267 60.938 62.300 -0.159 0.000 0.976 39 V CB 0.920 32.858 31.823 0.192 0.000 0.993 39 V HN 0.198 nan 8.190 nan 0.000 0.475 40 P HA 0.149 nan 4.420 nan 0.000 0.220 40 P C 0.643 177.756 177.300 -0.312 0.000 1.778 40 P CA -0.296 62.521 63.100 -0.472 0.000 0.912 40 P CB -0.418 30.974 31.700 -0.514 0.000 1.861 41 F N -0.452 119.449 119.950 -0.081 0.000 2.325 41 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 41 F C 1.674 177.563 175.800 0.147 0.000 1.090 41 F CA 0.702 58.688 58.000 -0.023 0.000 1.392 41 F CB -1.642 37.313 39.000 -0.074 0.000 1.053 41 F HN -0.071 nan 8.300 nan 0.000 0.521 42 Q N 1.191 120.932 119.800 -0.099 0.000 2.084 42 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 42 Q C 1.560 177.621 176.000 0.101 0.000 0.978 42 Q CA 2.057 57.903 55.803 0.072 0.000 0.844 42 Q CB -0.759 27.879 28.738 -0.167 0.000 0.898 42 Q HN 0.610 nan 8.270 nan 0.000 0.426 43 Q N -0.174 119.640 119.800 0.024 0.000 2.280 43 Q HA 0.264 4.604 4.340 -0.000 0.000 0.202 43 Q C -0.401 175.662 176.000 0.104 0.000 0.903 43 Q CA -0.013 55.817 55.803 0.045 0.000 0.948 43 Q CB 0.925 29.660 28.738 -0.005 0.000 1.058 43 Q HN 0.007 nan 8.270 nan 0.000 0.493 44 S N -0.530 115.271 115.700 0.167 0.000 2.600 44 S HA 0.531 5.001 4.470 -0.000 0.000 0.300 44 S C -0.553 174.159 174.600 0.188 0.000 1.087 44 S CA -0.813 57.489 58.200 0.170 0.000 0.965 44 S CB 1.984 65.274 63.200 0.150 0.000 1.089 44 S HN -0.039 nan 8.310 nan 0.000 0.496 45 V N 3.149 123.151 119.914 0.147 0.000 2.498 45 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 45 V C -0.353 175.786 176.094 0.076 0.000 1.048 45 V CA -0.412 61.976 62.300 0.145 0.000 0.967 45 V CB 0.770 32.676 31.823 0.139 0.000 0.988 45 V HN 0.623 nan 8.190 nan 0.000 0.473 46 I N 4.329 124.912 120.570 0.021 0.000 2.359 46 I HA 0.458 4.628 4.170 -0.000 0.000 0.294 46 I C 0.298 176.555 176.117 0.232 0.000 0.987 46 I CA 0.205 61.493 61.300 -0.020 0.000 1.225 46 I CB 1.396 39.194 38.000 -0.338 0.000 1.366 46 I HN 0.614 nan 8.210 nan 0.000 0.466 47 T N 4.136 118.812 114.554 0.202 0.000 2.858 47 T HA 0.904 5.254 4.350 -0.000 0.000 0.285 47 T C -1.170 173.688 174.700 0.263 0.000 1.052 47 T CA -0.437 61.879 62.100 0.359 0.000 1.009 47 T CB 2.188 71.273 68.868 0.363 0.000 1.241 47 T HN 0.814 nan 8.240 nan 0.000 0.542 48 A N 0.592 123.578 122.820 0.276 0.000 2.572 48 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 48 A C -0.113 177.473 177.584 0.005 0.000 1.072 48 A CA -0.430 51.629 52.037 0.037 0.000 0.691 48 A CB 1.294 20.234 19.000 -0.100 0.000 1.291 48 A HN 0.924 nan 8.150 nan 0.000 0.404 49 E N 0.447 120.616 120.200 -0.052 0.000 2.538 49 E HA 0.366 4.716 4.350 -0.000 0.000 0.207 49 E C 0.153 176.716 176.600 -0.062 0.000 1.002 49 E CA -0.054 56.319 56.400 -0.045 0.000 0.952 49 E CB -0.258 29.414 29.700 -0.047 0.000 1.031 49 E HN 0.701 nan 8.360 nan 0.000 0.476 50 I N -1.905 118.617 120.570 -0.081 0.000 3.108 50 I HA 0.432 4.602 4.170 -0.000 0.000 0.312 50 I C 0.276 176.362 176.117 -0.052 0.000 1.095 50 I CA -1.159 60.125 61.300 -0.026 0.000 1.000 50 I CB 2.226 40.250 38.000 0.040 0.000 1.229 50 I HN -0.025 nan 8.210 nan 0.000 0.454 51 E N 1.500 121.705 120.200 0.008 0.000 2.601 51 E HA 0.241 4.591 4.350 -0.000 0.000 0.219 51 E C -0.141 176.345 176.600 -0.191 0.000 0.964 51 E CA -0.468 55.879 56.400 -0.088 0.000 1.050 51 E CB 0.645 30.365 29.700 0.032 0.000 1.068 51 E HN 0.683 nan 8.360 nan 0.000 0.496 52 R N 0.862 121.301 120.500 -0.103 0.000 2.663 52 R HA 0.479 4.819 4.340 -0.000 0.000 0.267 52 R C -2.107 174.174 176.300 -0.032 0.000 1.038 52 R CA -0.640 55.200 56.100 -0.434 0.000 0.886 52 R CB 0.223 30.378 30.300 -0.241 0.000 1.249 52 R HN 0.147 nan 8.270 nan 0.000 0.463 53 W N 0.136 121.434 121.300 -0.003 0.000 3.059 53 W HA 0.718 5.377 4.660 -0.001 0.000 0.329 53 W C -2.667 173.853 176.519 0.002 0.000 1.246 53 W CA -1.475 55.864 57.345 -0.011 0.000 1.190 53 W CB -0.415 29.028 29.460 -0.027 0.000 1.423 53 W HN 0.631 nan 8.180 nan 0.000 0.571 54 P HA 0.242 nan 4.420 nan 0.000 0.279 54 P C -1.177 176.273 177.300 0.250 0.000 1.276 54 P CA -0.448 62.753 63.100 0.169 0.000 0.801 54 P CB 1.225 32.993 31.700 0.113 0.000 1.127 55 E N 0.229 120.523 120.200 0.158 0.000 2.223 55 E HA 0.320 4.670 4.350 -0.000 0.000 0.282 55 E C -0.528 176.121 176.600 0.082 0.000 1.046 55 E CA -0.351 56.133 56.400 0.140 0.000 0.857 55 E CB 0.417 30.176 29.700 0.097 0.000 1.055 55 E HN 0.569 nan 8.360 nan 0.000 0.409 56 T N 0.342 114.929 114.554 0.054 0.000 2.838 56 T HA 0.565 4.915 4.350 -0.000 0.000 0.292 56 T C 0.924 175.617 174.700 -0.012 0.000 1.113 56 T CA -0.204 61.904 62.100 0.013 0.000 1.008 56 T CB 1.334 70.197 68.868 -0.008 0.000 1.259 56 T HN 0.326 nan 8.240 nan 0.000 0.520 57 A N 0.376 123.186 122.820 -0.017 0.000 1.933 57 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 57 A C 2.192 179.740 177.584 -0.061 0.000 1.175 57 A CA 1.244 53.267 52.037 -0.024 0.000 0.628 57 A CB -1.045 17.948 19.000 -0.011 0.000 0.814 57 A HN 0.811 nan 8.150 nan 0.000 0.444 58 L N 0.367 121.541 121.223 -0.081 0.000 1.994 58 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 58 L C 2.911 179.646 176.870 -0.225 0.000 1.071 58 L CA 2.776 57.528 54.840 -0.148 0.000 0.745 58 L CB -1.140 40.833 42.059 -0.143 0.000 0.892 58 L HN 0.655 nan 8.230 nan 0.000 0.431 59 T N -2.989 111.450 114.554 -0.191 0.000 2.833 59 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 59 T C 1.940 176.584 174.700 -0.094 0.000 1.054 59 T CA 0.856 62.834 62.100 -0.203 0.000 1.135 59 T CB -0.387 68.379 68.868 -0.169 0.000 0.869 59 T HN 0.354 nan 8.240 nan 0.000 0.466 60 R N 0.333 120.800 120.500 -0.055 0.000 2.096 60 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 60 R C 2.868 179.120 176.300 -0.080 0.000 1.127 60 R CA 1.201 57.285 56.100 -0.026 0.000 0.968 60 R CB -0.239 30.054 30.300 -0.011 0.000 0.861 60 R HN 0.352 nan 8.270 nan 0.000 0.440 61 Q N 0.694 120.388 119.800 -0.175 0.000 2.046 61 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 61 Q C 2.116 177.891 176.000 -0.374 0.000 0.975 61 Q CA 1.171 56.802 55.803 -0.287 0.000 0.836 61 Q CB -0.306 28.144 28.738 -0.479 0.000 0.896 61 Q HN 0.205 nan 8.270 nan 0.000 0.428 62 L N 0.600 121.569 121.223 -0.425 0.000 2.079 62 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 62 L C 2.137 178.953 176.870 -0.089 0.000 1.081 62 L CA 1.721 56.327 54.840 -0.390 0.000 0.752 62 L CB -0.757 40.994 42.059 -0.513 0.000 0.896 62 L HN 0.189 nan 8.230 nan 0.000 0.433 63 A N 0.505 123.317 122.820 -0.012 0.000 1.909 63 A HA -0.305 4.015 4.320 -0.000 0.000 0.221 63 A C 2.096 179.763 177.584 0.138 0.000 1.223 63 A CA 2.443 54.555 52.037 0.126 0.000 0.658 63 A CB -0.755 18.305 19.000 0.099 0.000 0.831 63 A HN 0.633 nan 8.150 nan 0.000 0.462 64 R N -1.059 119.485 120.500 0.073 0.000 2.335 64 R HA 0.093 4.433 4.340 -0.000 0.000 0.223 64 R C 0.365 176.715 176.300 0.083 0.000 0.940 64 R CA -0.034 56.108 56.100 0.069 0.000 1.086 64 R CB -0.364 29.956 30.300 0.033 0.000 1.073 64 R HN 0.635 nan 8.270 nan 0.000 0.504 65 H N 3.200 122.296 119.070 0.044 0.000 2.690 65 H HA 0.109 4.665 4.556 0.000 0.000 0.314 65 H C -1.413 173.992 175.328 0.128 0.000 1.069 65 H CA -1.950 54.143 56.048 0.075 0.000 1.436 65 H CB 1.804 31.591 29.762 0.041 0.000 1.462 65 H HN -0.059 nan 8.280 nan 0.000 0.511 66 P HA -0.082 nan 4.420 nan 0.000 0.215 66 P C 0.384 177.833 177.300 0.248 0.000 1.157 66 P CA 0.982 64.109 63.100 0.045 0.000 0.863 66 P CB 0.144 31.800 31.700 -0.074 0.000 0.787 67 A N -0.408 122.692 122.820 0.467 0.000 3.258 67 A HA 0.253 4.573 4.320 -0.000 0.000 0.275 67 A C -0.210 177.655 177.584 0.468 0.000 1.452 67 A CA -0.511 51.814 52.037 0.481 0.000 1.120 67 A CB -1.662 17.571 19.000 0.388 0.000 1.107 67 A HN 0.092 nan 8.150 nan 0.000 0.651 68 F N 2.025 122.122 119.950 0.244 0.000 2.334 68 F HA 0.408 4.935 4.527 0.000 0.000 0.365 68 F C -0.099 175.792 175.800 0.152 0.000 1.124 68 F CA -1.622 56.449 58.000 0.119 0.000 1.166 68 F CB 0.216 39.291 39.000 0.125 0.000 1.355 68 F HN -0.015 nan 8.300 nan 0.000 0.532 69 V N 7.791 127.884 119.914 0.298 0.000 2.599 69 V HA 0.021 4.141 4.120 -0.000 0.000 0.300 69 V C 0.713 176.712 176.094 -0.158 0.000 1.034 69 V CA 0.231 62.569 62.300 0.063 0.000 1.115 69 V CB 0.204 32.053 31.823 0.043 0.000 0.934 69 V HN 0.848 nan 8.190 nan 0.000 0.485 70 N N 2.119 120.645 118.700 -0.289 0.000 2.909 70 N HA -0.235 4.505 4.740 -0.000 0.000 0.242 70 N C 1.549 176.604 175.510 -0.758 0.000 0.975 70 N CA 1.292 54.042 53.050 -0.500 0.000 0.921 70 N CB -1.026 37.099 38.487 -0.603 0.000 1.112 70 N HN 0.830 nan 8.380 nan 0.000 0.581 71 R N 1.204 121.292 120.500 -0.686 0.000 2.159 71 R HA -0.204 4.136 4.340 -0.000 0.000 0.252 71 R C 0.814 176.953 176.300 -0.270 0.000 1.144 71 R CA 2.454 58.125 56.100 -0.716 0.000 0.961 71 R CB -0.140 29.808 30.300 -0.587 0.000 0.877 71 R HN 0.211 nan 8.270 nan 0.000 0.444 72 D N -0.531 119.734 120.400 -0.226 0.000 2.347 72 D HA -0.047 4.593 4.640 -0.000 0.000 0.215 72 D C 1.785 177.986 176.300 -0.166 0.000 0.976 72 D CA 0.662 54.585 54.000 -0.128 0.000 0.884 72 D CB 0.260 41.012 40.800 -0.080 0.000 0.915 72 D HN 0.182 nan 8.370 nan 0.000 0.526 73 V N 0.690 120.419 119.914 -0.308 0.000 2.488 73 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 73 V C 1.980 177.928 176.094 -0.244 0.000 1.046 73 V CA 0.831 62.966 62.300 -0.275 0.000 1.053 73 V CB -0.535 31.110 31.823 -0.296 0.000 0.679 73 V HN 0.008 nan 8.190 nan 0.000 0.458 74 F N 0.843 120.781 119.950 -0.021 0.000 2.087 74 F HA -0.119 4.409 4.527 0.001 0.000 0.299 74 F C 0.186 175.923 175.800 -0.105 0.000 1.100 74 F CA 1.562 59.540 58.000 -0.037 0.000 1.226 74 F CB -2.545 36.459 39.000 0.006 0.000 0.983 74 F HN 0.303 nan 8.300 nan 0.000 0.479 75 P HA -0.112 nan 4.420 nan 0.000 0.219 75 P C 1.963 179.225 177.300 -0.063 0.000 1.150 75 P CA 1.517 64.585 63.100 -0.052 0.000 0.814 75 P CB -0.119 31.538 31.700 -0.072 0.000 0.787 76 I N -0.761 119.769 120.570 -0.067 0.000 2.252 76 I HA -0.170 3.999 4.170 -0.000 0.000 0.245 76 I C 2.495 178.544 176.117 -0.115 0.000 1.102 76 I CA 1.282 62.525 61.300 -0.096 0.000 1.385 76 I CB -0.422 37.518 38.000 -0.100 0.000 1.064 76 I HN -0.162 nan 8.210 nan 0.000 0.414 77 I N 0.660 121.181 120.570 -0.081 0.000 2.500 77 I HA -0.140 4.030 4.170 -0.000 0.000 0.252 77 I C 2.741 178.819 176.117 -0.065 0.000 1.142 77 I CA 0.885 62.133 61.300 -0.087 0.000 1.451 77 I CB -0.516 37.462 38.000 -0.036 0.000 1.093 77 I HN 0.151 nan 8.210 nan 0.000 0.430 78 A N -0.109 122.694 122.820 -0.030 0.000 2.019 78 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 78 A C 1.081 178.622 177.584 -0.070 0.000 1.164 78 A CA 1.205 53.217 52.037 -0.041 0.000 0.644 78 A CB -0.405 18.559 19.000 -0.060 0.000 0.805 78 A HN 0.351 nan 8.150 nan 0.000 0.449 79 D N -1.006 119.338 120.400 -0.094 0.000 2.317 79 D HA 0.289 4.929 4.640 -0.000 0.000 0.234 79 D C 1.096 177.302 176.300 -0.156 0.000 1.112 79 D CA -0.467 53.471 54.000 -0.103 0.000 0.840 79 D CB 0.616 41.361 40.800 -0.091 0.000 1.078 79 D HN 0.202 nan 8.370 nan 0.000 0.486 80 R N 2.604 123.012 120.500 -0.154 0.000 2.117 80 R HA -0.171 4.169 4.340 -0.000 0.000 0.243 80 R C 1.877 177.964 176.300 -0.355 0.000 1.143 80 R CA 0.837 56.792 56.100 -0.241 0.000 0.968 80 R CB -0.189 30.004 30.300 -0.178 0.000 0.863 80 R HN 0.435 nan 8.270 nan 0.000 0.444 81 L N 0.998 122.083 121.223 -0.230 0.000 1.989 81 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 81 L C 2.535 179.249 176.870 -0.259 0.000 1.071 81 L CA 2.378 57.093 54.840 -0.208 0.000 0.749 81 L CB -0.676 41.375 42.059 -0.014 0.000 0.890 81 L HN 0.290 nan 8.230 nan 0.000 0.431 82 T N -3.388 111.047 114.554 -0.199 0.000 2.867 82 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 82 T C 1.815 176.324 174.700 -0.318 0.000 1.057 82 T CA 1.468 63.453 62.100 -0.192 0.000 1.136 82 T CB -0.490 68.300 68.868 -0.131 0.000 0.874 82 T HN 0.552 nan 8.240 nan 0.000 0.466 83 Q N 0.687 120.233 119.800 -0.425 0.000 2.046 83 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 83 Q C 2.267 177.607 176.000 -1.099 0.000 0.975 83 Q CA 1.014 56.429 55.803 -0.648 0.000 0.836 83 Q CB -0.004 28.403 28.738 -0.551 0.000 0.896 83 Q HN 0.337 nan 8.270 nan 0.000 0.428 84 K N 0.497 120.283 120.400 -1.024 0.000 2.057 84 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 84 K C 2.046 178.267 176.600 -0.632 0.000 1.049 84 K CA 1.404 56.985 56.287 -1.176 0.000 0.931 84 K CB -0.221 31.157 32.500 -1.870 0.000 0.714 84 K HN 0.410 nan 8.250 nan 0.000 0.440 85 Q N 0.593 120.179 119.800 -0.356 0.000 2.181 85 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 85 Q C 2.143 178.076 176.000 -0.111 0.000 0.980 85 Q CA 1.017 56.792 55.803 -0.047 0.000 0.862 85 Q CB -0.224 28.526 28.738 0.020 0.000 0.905 85 Q HN 0.149 nan 8.270 nan 0.000 0.429 86 L N -0.111 120.964 121.223 -0.246 0.000 2.017 86 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 86 L C 1.778 178.653 176.870 0.008 0.000 1.073 86 L CA 1.678 56.428 54.840 -0.149 0.000 0.745 86 L CB -0.358 41.574 42.059 -0.212 0.000 0.894 86 L HN 0.069 nan 8.230 nan 0.000 0.432 87 F N 0.124 120.010 119.950 -0.107 0.000 2.134 87 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 87 F C 2.403 178.161 175.800 -0.071 0.000 1.097 87 F CA 0.962 58.907 58.000 -0.092 0.000 1.264 87 F CB -1.521 37.411 39.000 -0.113 0.000 1.001 87 F HN 0.184 nan 8.300 nan 0.000 0.479 88 D N 0.405 120.887 120.400 0.136 0.000 2.104 88 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 88 D C 2.276 178.493 176.300 -0.139 0.000 0.994 88 D CA 1.332 55.366 54.000 0.057 0.000 0.830 88 D CB -0.442 40.446 40.800 0.147 0.000 0.959 88 D HN 0.236 nan 8.370 nan 0.000 0.452 89 K N 0.589 120.929 120.400 -0.100 0.000 2.044 89 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 89 K C 1.815 178.287 176.600 -0.213 0.000 1.049 89 K CA 1.021 57.218 56.287 -0.150 0.000 0.927 89 K CB -0.204 32.262 32.500 -0.057 0.000 0.713 89 K HN 0.144 nan 8.250 nan 0.000 0.443 90 L N 0.399 121.576 121.223 -0.077 0.000 2.627 90 L HA 0.055 4.395 4.340 -0.000 0.000 0.233 90 L C -0.296 176.617 176.870 0.072 0.000 1.144 90 L CA 0.212 55.065 54.840 0.023 0.000 0.892 90 L CB -0.638 41.456 42.059 0.059 0.000 1.039 90 L HN 0.413 nan 8.230 nan 0.000 0.442 91 H N -1.832 117.275 119.070 0.063 0.000 2.861 91 H HA -0.154 4.402 4.556 -0.000 0.000 0.289 91 H C -0.126 175.223 175.328 0.035 0.000 1.176 91 H CA 0.213 56.291 56.048 0.050 0.000 1.146 91 H CB -2.092 27.688 29.762 0.031 0.000 1.330 91 H HN 0.254 nan 8.280 nan 0.000 0.379 92 L N 1.898 123.166 121.223 0.075 0.000 2.305 92 L HA 0.336 4.676 4.340 -0.000 0.000 0.281 92 L C -1.595 175.268 176.870 -0.011 0.000 1.085 92 L CA -2.106 52.734 54.840 0.001 0.000 0.813 92 L CB 0.509 42.514 42.059 -0.091 0.000 1.157 92 L HN -0.091 nan 8.230 nan 0.000 0.436 93 P HA 0.031 nan 4.420 nan 0.000 0.263 93 P C -0.343 176.923 177.300 -0.056 0.000 1.195 93 P CA 0.298 63.392 63.100 -0.011 0.000 0.762 93 P CB 1.073 32.765 31.700 -0.014 0.000 0.799 94 T N 1.165 115.744 114.554 0.041 0.000 2.792 94 T HA 0.573 4.923 4.350 -0.000 0.000 0.303 94 T C -1.206 173.588 174.700 0.155 0.000 1.310 94 T CA -0.527 61.603 62.100 0.051 0.000 1.007 94 T CB 1.011 69.958 68.868 0.132 0.000 1.335 94 T HN 0.334 nan 8.240 nan 0.000 0.504 95 A N 3.146 126.075 122.820 0.182 0.000 2.520 95 A HA 0.555 4.875 4.320 -0.000 0.000 0.245 95 A C -2.457 175.324 177.584 0.329 0.000 1.072 95 A CA -0.698 51.485 52.037 0.244 0.000 0.761 95 A CB -0.613 18.545 19.000 0.264 0.000 1.004 95 A HN 0.583 nan 8.150 nan 0.000 0.499 96 P HA 0.161 nan 4.420 nan 0.000 0.266 96 P C -0.132 177.363 177.300 0.325 0.000 1.195 96 P CA 0.306 63.560 63.100 0.257 0.000 0.768 96 P CB 0.360 32.135 31.700 0.125 0.000 0.838 97 W N 1.940 123.251 121.300 0.019 0.000 2.803 97 W HA 0.528 5.187 4.660 -0.001 0.000 0.424 97 W C -1.935 174.565 176.519 -0.031 0.000 1.092 97 W CA -0.736 56.608 57.345 -0.002 0.000 1.184 97 W CB 0.584 30.050 29.460 0.009 0.000 1.470 97 W HN 0.536 nan 8.180 nan 0.000 0.598 98 Q N 0.500 120.264 119.800 -0.061 0.000 2.848 98 Q HA 0.494 4.834 4.340 -0.000 0.000 0.288 98 Q C -2.086 173.957 176.000 0.072 0.000 0.907 98 Q CA -1.084 54.497 55.803 -0.370 0.000 0.792 98 Q CB 1.980 30.493 28.738 -0.376 0.000 1.534 98 Q HN 0.504 nan 8.270 nan 0.000 0.419 99 L N 1.176 122.406 121.223 0.011 0.000 2.461 99 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 99 L C -0.990 175.841 176.870 -0.065 0.000 1.197 99 L CA -0.105 54.770 54.840 0.059 0.000 0.836 99 L CB 1.020 43.091 42.059 0.020 0.000 1.105 99 L HN 0.710 nan 8.230 nan 0.000 0.477 100 L N 5.079 126.246 121.223 -0.093 0.000 2.313 100 L HA 0.563 4.903 4.340 -0.000 0.000 0.273 100 L C 0.743 177.548 176.870 -0.108 0.000 1.028 100 L CA 0.524 55.242 54.840 -0.204 0.000 0.871 100 L CB 0.765 42.642 42.059 -0.303 0.000 1.242 100 L HN 0.797 nan 8.230 nan 0.000 0.434 101 A N 4.350 127.123 122.820 -0.078 0.000 1.930 101 A HA 0.189 4.509 4.320 -0.000 0.000 0.215 101 A C 0.491 178.116 177.584 0.069 0.000 1.176 101 A CA 1.273 53.303 52.037 -0.011 0.000 0.632 101 A CB -0.184 18.787 19.000 -0.048 0.000 0.819 101 A HN 0.781 nan 8.150 nan 0.000 0.445 102 E N -3.758 116.464 120.200 0.036 0.000 2.403 102 E HA 0.392 4.742 4.350 -0.000 0.000 0.280 102 E C -0.259 176.038 176.600 -0.505 0.000 1.101 102 E CA -0.924 55.347 56.400 -0.216 0.000 0.856 102 E CB 0.510 30.090 29.700 -0.201 0.000 1.303 102 E HN -0.061 nan 8.360 nan 0.000 0.441 103 R N 0.621 120.492 120.500 -1.049 0.000 2.134 103 R HA -0.213 4.127 4.340 -0.000 0.000 0.248 103 R C 2.066 178.297 176.300 -0.116 0.000 1.143 103 R CA 2.966 58.720 56.100 -0.575 0.000 0.957 103 R CB -0.430 29.611 30.300 -0.430 0.000 0.867 103 R HN 0.663 nan 8.270 nan 0.000 0.441 104 S N 0.377 115.986 115.700 -0.152 0.000 2.440 104 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 104 S C 1.253 175.831 174.600 -0.037 0.000 1.010 104 S CA 1.527 59.697 58.200 -0.050 0.000 0.972 104 S CB -0.307 62.852 63.200 -0.069 0.000 0.774 104 S HN 0.515 nan 8.310 nan 0.000 0.501 105 E N 0.373 120.487 120.200 -0.144 0.000 2.482 105 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 105 E C 1.115 177.673 176.600 -0.070 0.000 1.047 105 E CA 0.233 56.547 56.400 -0.144 0.000 0.869 105 E CB -0.375 29.191 29.700 -0.223 0.000 0.836 105 E HN 0.674 nan 8.360 nan 0.000 0.520 106 W N 1.543 122.872 121.300 0.049 0.000 2.305 106 W HA -0.174 4.486 4.660 0.000 0.000 0.308 106 W C -0.665 175.949 176.519 0.159 0.000 1.226 106 W CA 0.872 58.276 57.345 0.099 0.000 1.253 106 W CB -1.263 28.310 29.460 0.189 0.000 1.146 106 W HN 0.217 nan 8.180 nan 0.000 0.507 107 P HA -0.191 nan 4.420 nan 0.000 0.215 107 P C 1.368 178.790 177.300 0.204 0.000 1.153 107 P CA 2.829 66.097 63.100 0.280 0.000 0.853 107 P CB -0.402 31.397 31.700 0.166 0.000 0.788 108 A N -0.802 122.086 122.820 0.113 0.000 1.968 108 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 108 A C 2.323 179.923 177.584 0.027 0.000 1.169 108 A CA 1.226 53.292 52.037 0.049 0.000 0.638 108 A CB -1.585 17.412 19.000 -0.006 0.000 0.812 108 A HN 0.000 nan 8.150 nan 0.000 0.446 109 V N -0.947 118.965 119.914 -0.003 0.000 2.233 109 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 109 V C 2.297 178.337 176.094 -0.091 0.000 1.050 109 V CA 2.328 64.560 62.300 -0.113 0.000 1.010 109 V CB -0.989 30.689 31.823 -0.242 0.000 0.637 109 V HN 0.619 nan 8.190 nan 0.000 0.444 110 F N 0.078 120.141 119.950 0.189 0.000 2.293 110 F HA -0.123 4.404 4.527 0.000 0.000 0.300 110 F C 2.229 178.079 175.800 0.084 0.000 1.086 110 F CA 1.374 59.457 58.000 0.138 0.000 1.375 110 F CB -0.445 38.628 39.000 0.122 0.000 1.045 110 F HN 0.195 nan 8.300 nan 0.000 0.516 111 D N -0.032 120.504 120.400 0.226 0.000 2.097 111 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 111 D C 2.377 178.731 176.300 0.091 0.000 0.984 111 D CA 1.082 55.164 54.000 0.136 0.000 0.826 111 D CB -0.239 40.620 40.800 0.099 0.000 0.973 111 D HN 0.138 nan 8.370 nan 0.000 0.460 112 R N -0.159 120.374 120.500 0.054 0.000 2.062 112 R HA 0.020 4.360 4.340 -0.000 0.000 0.231 112 R C 2.245 178.568 176.300 0.037 0.000 1.136 112 R CA 0.790 56.902 56.100 0.020 0.000 0.948 112 R CB -0.254 30.029 30.300 -0.030 0.000 0.845 112 R HN 0.241 nan 8.270 nan 0.000 0.430 113 L N -0.777 120.472 121.223 0.044 0.000 2.529 113 L HA 0.255 4.595 4.340 -0.000 0.000 0.223 113 L C 0.999 177.941 176.870 0.120 0.000 1.113 113 L CA 0.225 55.106 54.840 0.068 0.000 0.861 113 L CB 0.189 42.274 42.059 0.044 0.000 1.012 113 L HN 0.368 nan 8.230 nan 0.000 0.461 114 G N 1.144 110.045 108.800 0.170 0.000 2.483 114 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.521 114 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.521 114 G C 0.346 175.425 174.900 0.298 0.000 1.278 114 G CA -0.024 45.185 45.100 0.183 0.000 0.965 114 G HN 0.326 nan 8.290 nan 0.000 0.504 115 E N -0.974 119.344 120.200 0.197 0.000 2.150 115 E HA 0.122 4.472 4.350 -0.000 0.000 0.193 115 E C 1.236 177.984 176.600 0.247 0.000 0.985 115 E CA 1.052 57.549 56.400 0.162 0.000 0.814 115 E CB 0.348 30.079 29.700 0.052 0.000 0.752 115 E HN 0.625 nan 8.360 nan 0.000 0.466 116 L N 1.090 122.454 121.223 0.235 0.000 2.325 116 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 116 L C -1.098 175.915 176.870 0.238 0.000 1.004 116 L CA -0.648 54.327 54.840 0.225 0.000 0.823 116 L CB 1.635 43.763 42.059 0.115 0.000 1.236 116 L HN 0.153 nan 8.230 nan 0.000 0.415 117 A N 5.899 128.888 122.820 0.281 0.000 2.324 117 A HA 0.814 5.134 4.320 -0.000 0.000 0.330 117 A C -0.986 176.722 177.584 0.206 0.000 1.165 117 A CA -0.546 51.606 52.037 0.191 0.000 0.813 117 A CB 0.810 19.888 19.000 0.130 0.000 1.197 117 A HN 0.510 nan 8.150 nan 0.000 0.484 118 I N 3.323 124.008 120.570 0.190 0.000 2.390 118 I HA 0.277 4.447 4.170 -0.000 0.000 0.283 118 I C -0.326 175.918 176.117 0.213 0.000 1.016 118 I CA -0.656 60.762 61.300 0.197 0.000 1.151 118 I CB 0.746 38.850 38.000 0.173 0.000 1.293 118 I HN 0.246 nan 8.210 nan 0.000 0.458 119 V N 7.514 127.595 119.914 0.279 0.000 2.439 119 V HA 0.422 4.542 4.120 -0.000 0.000 0.282 119 V C 0.255 176.558 176.094 0.349 0.000 1.039 119 V CA -0.596 61.882 62.300 0.297 0.000 0.913 119 V CB 1.430 33.459 31.823 0.342 0.000 0.983 119 V HN 0.609 nan 8.190 nan 0.000 0.460 120 K N 4.328 124.871 120.400 0.238 0.000 2.482 120 K HA 0.539 4.859 4.320 -0.000 0.000 0.251 120 K C -0.775 175.919 176.600 0.157 0.000 0.936 120 K CA -1.096 55.301 56.287 0.182 0.000 0.791 120 K CB 2.164 34.714 32.500 0.082 0.000 1.213 120 K HN 0.368 nan 8.250 nan 0.000 0.428 121 R N 2.147 122.758 120.500 0.185 0.000 2.585 121 R HA 0.009 4.349 4.340 -0.000 0.000 0.275 121 R C 1.025 177.352 176.300 0.046 0.000 1.018 121 R CA 0.448 56.624 56.100 0.128 0.000 1.072 121 R CB 0.066 30.438 30.300 0.119 0.000 0.953 121 R HN 0.669 nan 8.270 nan 0.000 0.419 122 R N 0.304 120.816 120.500 0.021 0.000 2.120 122 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 122 R C 0.645 176.932 176.300 -0.023 0.000 1.123 122 R CA 1.706 57.796 56.100 -0.016 0.000 0.975 122 R CB 0.013 30.299 30.300 -0.023 0.000 0.866 122 R HN 0.750 nan 8.270 nan 0.000 0.446 123 T N -5.471 109.081 114.554 -0.003 0.000 2.896 123 T HA 0.536 4.886 4.350 -0.000 0.000 0.297 123 T C 0.788 175.502 174.700 0.022 0.000 1.108 123 T CA -0.348 61.749 62.100 -0.006 0.000 1.004 123 T CB 2.178 71.034 68.868 -0.021 0.000 1.159 123 T HN 0.187 nan 8.240 nan 0.000 0.499 124 G N 0.266 109.088 108.800 0.037 0.000 2.184 124 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.264 124 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.264 124 G C 0.592 175.573 174.900 0.135 0.000 0.975 124 G CA 0.209 45.362 45.100 0.088 0.000 0.642 124 G HN 1.449 nan 8.290 nan 0.000 0.536 125 G N -0.165 108.675 108.800 0.066 0.000 2.483 125 G HA2 0.701 4.661 3.960 -0.000 0.000 0.248 125 G HA3 0.701 4.661 3.960 -0.000 0.000 0.248 125 G C -0.369 174.596 174.900 0.108 0.000 1.248 125 G CA 0.277 45.379 45.100 0.003 0.000 0.838 125 G HN 1.627 nan 8.290 nan 0.000 0.566 126 Y N -2.166 118.109 120.300 -0.041 0.000 2.624 126 Y HA 0.425 4.975 4.550 -0.000 0.000 0.334 126 Y C -0.081 175.792 175.900 -0.044 0.000 1.155 126 Y CA -1.475 56.604 58.100 -0.034 0.000 1.046 126 Y CB 0.962 39.407 38.460 -0.025 0.000 1.316 126 Y HN 0.541 nan 8.280 nan 0.000 0.457 127 D N 1.506 121.945 120.400 0.066 0.000 2.860 127 D HA -0.187 4.453 4.640 -0.000 0.000 0.229 127 D C 1.378 177.604 176.300 -0.124 0.000 1.169 127 D CA 2.582 56.575 54.000 -0.011 0.000 0.737 127 D CB -1.277 39.542 40.800 0.031 0.000 1.080 127 D HN 1.787 nan 8.370 nan 0.000 0.424 128 G N -0.800 107.912 108.800 -0.147 0.000 2.179 128 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.260 128 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.260 128 G C 0.399 175.130 174.900 -0.282 0.000 0.977 128 G CA 0.466 45.458 45.100 -0.180 0.000 0.641 128 G HN 0.533 nan 8.290 nan 0.000 0.533 129 R N -0.227 120.061 120.500 -0.354 0.000 2.594 129 R HA 0.475 4.815 4.340 -0.000 0.000 0.272 129 R C 1.516 177.574 176.300 -0.403 0.000 1.074 129 R CA 0.790 56.647 56.100 -0.405 0.000 1.105 129 R CB 0.655 30.665 30.300 -0.484 0.000 1.008 129 R HN 1.301 nan 8.270 nan 0.000 0.472 130 G N 0.798 109.281 108.800 -0.529 0.000 2.143 130 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 130 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 130 G C -0.139 174.404 174.900 -0.595 0.000 0.991 130 G CA 0.218 45.019 45.100 -0.499 0.000 0.689 130 G HN 0.567 nan 8.290 nan 0.000 0.522 131 Q N -0.424 118.888 119.800 -0.814 0.000 2.337 131 Q HA 0.586 4.926 4.340 -0.000 0.000 0.270 131 Q C -0.843 174.784 176.000 -0.622 0.000 1.043 131 Q CA -1.166 54.368 55.803 -0.449 0.000 0.794 131 Q CB 1.479 30.084 28.738 -0.221 0.000 1.281 131 Q HN 0.334 nan 8.270 nan 0.000 0.446 132 W N 3.365 124.678 121.300 0.022 0.000 2.736 132 W HA 0.488 5.148 4.660 -0.000 0.000 0.335 132 W C -0.279 176.272 176.519 0.052 0.000 1.059 132 W CA -0.809 56.556 57.345 0.032 0.000 1.226 132 W CB 1.911 31.396 29.460 0.042 0.000 1.416 132 W HN 0.538 nan 8.180 nan 0.000 0.505 133 R N 3.679 124.318 120.500 0.232 0.000 2.371 133 R HA 0.582 4.922 4.340 -0.000 0.000 0.312 133 R C -1.540 174.855 176.300 0.158 0.000 0.980 133 R CA -0.280 55.918 56.100 0.164 0.000 0.867 133 R CB 0.426 30.779 30.300 0.088 0.000 1.163 133 R HN 0.598 nan 8.270 nan 0.000 0.492 134 L N 3.720 125.049 121.223 0.177 0.000 2.354 134 L HA 0.648 4.988 4.340 -0.000 0.000 0.269 134 L C 0.171 177.153 176.870 0.188 0.000 1.005 134 L CA -1.112 53.806 54.840 0.130 0.000 0.819 134 L CB 2.375 44.475 42.059 0.068 0.000 1.311 134 L HN 0.500 nan 8.230 nan 0.000 0.423 135 R N 0.266 120.791 120.500 0.043 0.000 2.856 135 R HA 0.565 4.905 4.340 -0.000 0.000 0.258 135 R C 0.855 176.915 176.300 -0.401 0.000 1.066 135 R CA -0.305 55.737 56.100 -0.097 0.000 1.045 135 R CB 1.657 31.885 30.300 -0.120 0.000 1.178 135 R HN 0.811 nan 8.270 nan 0.000 0.499 136 A N 1.476 123.736 122.820 -0.934 0.000 1.958 136 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 136 A C 1.218 178.488 177.584 -0.524 0.000 1.178 136 A CA 2.158 53.483 52.037 -1.187 0.000 0.642 136 A CB -0.605 17.778 19.000 -1.028 0.000 0.816 136 A HN 0.817 nan 8.150 nan 0.000 0.453 137 N N -0.492 118.005 118.700 -0.338 0.000 2.276 137 N HA 0.031 4.771 4.740 -0.000 0.000 0.212 137 N C 0.234 175.636 175.510 -0.180 0.000 1.127 137 N CA 0.630 53.551 53.050 -0.215 0.000 0.834 137 N CB -0.031 38.362 38.487 -0.155 0.000 1.014 137 N HN 0.711 nan 8.380 nan 0.000 0.491 138 E N -0.520 119.554 120.200 -0.210 0.000 2.601 138 E HA 0.011 4.361 4.350 -0.000 0.000 0.219 138 E C 0.849 177.329 176.600 -0.200 0.000 0.964 138 E CA 0.218 56.528 56.400 -0.151 0.000 1.050 138 E CB 0.249 29.894 29.700 -0.093 0.000 1.068 138 E HN 0.391 nan 8.360 nan 0.000 0.496 139 T N -0.202 114.138 114.554 -0.357 0.000 2.822 139 T HA -0.229 4.121 4.350 -0.000 0.000 0.270 139 T C 1.694 176.274 174.700 -0.200 0.000 1.064 139 T CA 1.201 62.985 62.100 -0.526 0.000 1.131 139 T CB -0.209 67.947 68.868 -1.187 0.000 0.858 139 T HN 0.106 nan 8.240 nan 0.000 0.483 140 E N 1.033 121.161 120.200 -0.119 0.000 2.463 140 E HA -0.147 4.203 4.350 -0.000 0.000 0.201 140 E C 2.077 178.671 176.600 -0.011 0.000 1.045 140 E CA 0.571 56.954 56.400 -0.028 0.000 0.872 140 E CB -0.093 29.595 29.700 -0.021 0.000 0.797 140 E HN 0.751 nan 8.360 nan 0.000 0.538 141 Q N -0.125 119.654 119.800 -0.035 0.000 2.311 141 Q HA -0.022 4.318 4.340 -0.000 0.000 0.203 141 Q C 0.554 176.513 176.000 -0.069 0.000 0.954 141 Q CA 0.021 55.818 55.803 -0.010 0.000 0.885 141 Q CB 0.104 28.861 28.738 0.030 0.000 0.963 141 Q HN 0.110 nan 8.270 nan 0.000 0.471 142 L N 2.932 124.067 121.223 -0.146 0.000 2.410 142 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 142 L C -2.333 174.407 176.870 -0.217 0.000 1.144 142 L CA -1.875 52.737 54.840 -0.380 0.000 0.863 142 L CB 0.374 42.239 42.059 -0.324 0.000 1.140 142 L HN -0.126 nan 8.230 nan 0.000 0.463 143 P HA 0.046 nan 4.420 nan 0.000 0.268 143 P C 0.115 177.384 177.300 -0.051 0.000 1.204 143 P CA 0.118 63.156 63.100 -0.104 0.000 0.768 143 P CB 0.840 32.496 31.700 -0.072 0.000 0.842 144 A N 3.785 126.661 122.820 0.093 0.000 1.948 144 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 144 A C 1.953 179.634 177.584 0.162 0.000 1.177 144 A CA 1.873 54.046 52.037 0.227 0.000 0.636 144 A CB -1.131 17.956 19.000 0.146 0.000 0.815 144 A HN 0.592 nan 8.150 nan 0.000 0.449 145 E N -0.692 119.536 120.200 0.045 0.000 2.147 145 E HA -0.253 4.097 4.350 -0.000 0.000 0.199 145 E C 1.922 178.497 176.600 -0.041 0.000 1.005 145 E CA 1.789 58.198 56.400 0.016 0.000 0.810 145 E CB -0.630 29.076 29.700 0.010 0.000 0.736 145 E HN 0.781 nan 8.360 nan 0.000 0.460 146 C N -0.141 119.052 119.300 -0.180 0.000 2.432 146 C HA -0.073 4.387 4.460 -0.000 0.000 0.282 146 C C 0.753 175.527 174.990 -0.361 0.000 1.388 146 C CA -0.441 58.378 59.018 -0.332 0.000 1.777 146 C CB -1.358 26.032 27.740 -0.583 0.000 1.882 146 C HN 0.239 nan 8.230 nan 0.000 0.520 147 Y N 1.322 121.572 120.300 -0.083 0.000 2.632 147 Y HA 0.376 4.926 4.550 -0.000 0.000 0.329 147 Y C 1.627 177.486 175.900 -0.068 0.000 1.174 147 Y CA 1.404 59.451 58.100 -0.088 0.000 1.469 147 Y CB -0.200 38.210 38.460 -0.083 0.000 1.242 147 Y HN 0.449 nan 8.280 nan 0.000 0.540 148 G N 1.967 110.790 108.800 0.039 0.000 2.267 148 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 148 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 148 G C 0.797 175.689 174.900 -0.014 0.000 0.998 148 G CA 0.399 45.505 45.100 0.010 0.000 0.620 148 G HN 0.574 nan 8.290 nan 0.000 0.529 149 E N -0.290 119.889 120.200 -0.034 0.000 2.501 149 E HA 0.368 4.718 4.350 -0.000 0.000 0.200 149 E C 0.418 177.005 176.600 -0.022 0.000 1.016 149 E CA 0.451 56.836 56.400 -0.024 0.000 0.921 149 E CB 0.476 30.166 29.700 -0.016 0.000 1.034 149 E HN 0.492 nan 8.360 nan 0.000 0.468 150 C N 0.885 120.158 119.300 -0.046 0.000 2.994 150 C HA 0.621 5.081 4.460 -0.000 0.000 0.305 150 C C 0.261 175.248 174.990 -0.005 0.000 1.251 150 C CA -1.185 57.821 59.018 -0.020 0.000 1.478 150 C CB 1.324 29.019 27.740 -0.074 0.000 1.922 150 C HN 0.360 nan 8.230 nan 0.000 0.472 151 I N 0.137 120.733 120.570 0.043 0.000 2.924 151 I HA 0.904 5.074 4.170 -0.000 0.000 0.316 151 I C -0.741 175.434 176.117 0.096 0.000 1.014 151 I CA -0.598 60.765 61.300 0.105 0.000 1.106 151 I CB 1.387 39.478 38.000 0.153 0.000 1.311 151 I HN 0.376 nan 8.210 nan 0.000 0.502 152 V N 2.547 122.538 119.914 0.129 0.000 2.638 152 V HA 0.545 4.665 4.120 -0.000 0.000 0.306 152 V C -0.721 175.481 176.094 0.180 0.000 1.052 152 V CA -0.075 62.289 62.300 0.107 0.000 0.885 152 V CB 1.878 33.691 31.823 -0.018 0.000 0.999 152 V HN 1.003 nan 8.190 nan 0.000 0.424 153 E N 4.146 124.457 120.200 0.186 0.000 2.359 153 E HA 0.400 4.750 4.350 -0.000 0.000 0.266 153 E C -1.231 175.476 176.600 0.179 0.000 0.920 153 E CA -0.921 55.613 56.400 0.224 0.000 0.788 153 E CB 2.204 32.039 29.700 0.227 0.000 1.279 153 E HN 0.707 nan 8.360 nan 0.000 0.438 154 Q N 0.780 120.690 119.800 0.183 0.000 2.337 154 Q HA 0.142 4.482 4.340 -0.000 0.000 0.270 154 Q C -0.202 175.896 176.000 0.163 0.000 1.002 154 Q CA -0.140 55.756 55.803 0.155 0.000 0.888 154 Q CB 0.735 29.562 28.738 0.148 0.000 1.222 154 Q HN 0.725 nan 8.270 nan 0.000 0.400 155 G N 5.040 113.919 108.800 0.132 0.000 2.356 155 G HA2 0.251 4.211 3.960 -0.000 0.000 0.273 155 G HA3 0.251 4.211 3.960 -0.000 0.000 0.273 155 G C -0.155 174.786 174.900 0.067 0.000 1.213 155 G CA -0.469 44.689 45.100 0.096 0.000 0.955 155 G HN 0.545 nan 8.290 nan 0.000 0.454 156 I N 2.692 123.296 120.570 0.057 0.000 2.331 156 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 156 I C -0.210 175.809 176.117 -0.164 0.000 0.998 156 I CA -1.133 60.187 61.300 0.033 0.000 1.267 156 I CB 1.348 39.456 38.000 0.180 0.000 1.386 156 I HN 0.457 nan 8.210 nan 0.000 0.476 157 N N 7.841 126.456 118.700 -0.141 0.000 3.083 157 N HA 0.178 4.918 4.740 -0.000 0.000 0.260 157 N C -0.405 174.964 175.510 -0.235 0.000 1.163 157 N CA -0.267 52.605 53.050 -0.296 0.000 1.060 157 N CB 0.013 38.391 38.487 -0.181 0.000 1.345 157 N HN 0.385 nan 8.380 nan 0.000 0.515 158 F N -0.432 119.418 119.950 -0.167 0.000 2.378 158 F HA 0.337 4.864 4.527 0.000 0.000 0.319 158 F C 1.566 177.345 175.800 -0.035 0.000 1.155 158 F CA -1.070 56.874 58.000 -0.093 0.000 1.157 158 F CB 0.392 39.294 39.000 -0.163 0.000 1.252 158 F HN 0.134 nan 8.300 nan 0.000 0.550 159 S N -0.705 115.155 115.700 0.267 0.000 2.503 159 S HA 0.559 5.029 4.470 -0.000 0.000 0.217 159 S C 0.591 175.379 174.600 0.313 0.000 0.999 159 S CA 0.166 58.478 58.200 0.187 0.000 0.914 159 S CB -0.401 62.875 63.200 0.127 0.000 0.782 159 S HN 1.297 nan 8.310 nan 0.000 0.520 160 G N -0.239 108.840 108.800 0.464 0.000 2.506 160 G HA2 0.515 4.475 3.960 -0.000 0.000 0.292 160 G HA3 0.515 4.475 3.960 -0.000 0.000 0.292 160 G C -2.249 172.779 174.900 0.213 0.000 1.425 160 G CA -0.849 44.498 45.100 0.411 0.000 0.788 160 G HN 0.149 nan 8.290 nan 0.000 0.490 161 E N -0.779 119.518 120.200 0.163 0.000 2.222 161 E HA 0.604 4.954 4.350 -0.000 0.000 0.267 161 E C -0.613 176.059 176.600 0.120 0.000 0.884 161 E CA -0.937 55.482 56.400 0.032 0.000 0.764 161 E CB 2.881 32.597 29.700 0.027 0.000 1.169 161 E HN 0.742 nan 8.360 nan 0.000 0.413 162 V N -0.739 119.198 119.914 0.039 0.000 3.007 162 V HA 0.800 4.920 4.120 -0.000 0.000 0.311 162 V C -0.520 175.547 176.094 -0.045 0.000 1.120 162 V CA -0.843 61.449 62.300 -0.014 0.000 0.980 162 V CB 1.794 33.563 31.823 -0.090 0.000 1.033 162 V HN 0.718 nan 8.190 nan 0.000 0.429 163 S N 3.147 118.824 115.700 -0.038 0.000 2.568 163 S HA 0.871 5.341 4.470 -0.000 0.000 0.293 163 S C -1.115 173.468 174.600 -0.029 0.000 1.089 163 S CA -0.756 57.402 58.200 -0.070 0.000 0.945 163 S CB 1.892 65.043 63.200 -0.081 0.000 1.077 163 S HN 1.501 nan 8.310 nan 0.000 0.485 164 L N 2.600 123.795 121.223 -0.046 0.000 2.305 164 L HA 0.753 5.093 4.340 -0.000 0.000 0.284 164 L C -1.278 175.637 176.870 0.076 0.000 1.013 164 L CA -0.474 54.386 54.840 0.033 0.000 0.819 164 L CB 1.426 43.465 42.059 -0.033 0.000 1.227 164 L HN 0.688 nan 8.230 nan 0.000 0.417 165 V N 4.810 124.837 119.914 0.188 0.000 2.513 165 V HA 1.007 5.127 4.120 -0.000 0.000 0.299 165 V C 0.449 176.742 176.094 0.333 0.000 1.035 165 V CA 0.105 62.516 62.300 0.184 0.000 0.889 165 V CB 1.125 33.017 31.823 0.114 0.000 0.988 165 V HN 0.984 nan 8.190 nan 0.000 0.440 166 G N 2.110 111.025 108.800 0.190 0.000 2.619 166 G HA2 0.874 4.834 3.960 -0.000 0.000 0.305 166 G HA3 0.874 4.834 3.960 -0.000 0.000 0.305 166 G C -1.493 173.327 174.900 -0.134 0.000 1.330 166 G CA 0.006 45.070 45.100 -0.061 0.000 0.789 166 G HN 1.186 nan 8.290 nan 0.000 0.487 167 A N -0.687 121.918 122.820 -0.358 0.000 2.587 167 A HA 0.912 5.232 4.320 -0.000 0.000 0.293 167 A C -0.836 176.590 177.584 -0.265 0.000 1.087 167 A CA -0.592 51.329 52.037 -0.193 0.000 0.692 167 A CB 2.065 20.976 19.000 -0.148 0.000 1.291 167 A HN 0.974 nan 8.150 nan 0.000 0.407 168 R N 0.561 120.977 120.500 -0.141 0.000 2.534 168 R HA 0.593 4.933 4.340 -0.000 0.000 0.301 168 R C 0.188 176.366 176.300 -0.202 0.000 0.961 168 R CA 0.023 56.040 56.100 -0.138 0.000 0.871 168 R CB 1.791 32.071 30.300 -0.034 0.000 1.170 168 R HN 1.127 nan 8.270 nan 0.000 0.446 169 G N 1.698 110.397 108.800 -0.169 0.000 2.528 169 G HA2 0.184 4.144 3.960 -0.000 0.000 0.289 169 G HA3 0.184 4.144 3.960 -0.000 0.000 0.289 169 G C 0.040 174.852 174.900 -0.146 0.000 1.192 169 G CA -0.623 44.373 45.100 -0.172 0.000 0.921 169 G HN 0.603 nan 8.290 nan 0.000 0.512 170 F N 0.110 120.016 119.950 -0.074 0.000 2.333 170 F HA -0.040 4.488 4.527 0.000 0.000 0.300 170 F C 2.266 178.041 175.800 -0.042 0.000 1.083 170 F CA 1.585 59.548 58.000 -0.061 0.000 1.395 170 F CB 0.176 39.143 39.000 -0.055 0.000 1.056 170 F HN 0.477 nan 8.300 nan 0.000 0.529 171 D N -1.640 118.842 120.400 0.137 0.000 2.325 171 D HA 0.199 4.839 4.640 -0.000 0.000 0.225 171 D C 1.831 178.154 176.300 0.039 0.000 1.096 171 D CA 0.690 54.736 54.000 0.076 0.000 0.844 171 D CB -0.267 40.564 40.800 0.052 0.000 0.925 171 D HN 0.281 nan 8.370 nan 0.000 0.513 172 G N -0.270 108.544 108.800 0.023 0.000 2.199 172 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 172 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 172 G C 0.467 175.362 174.900 -0.009 0.000 0.982 172 G CA 0.236 45.340 45.100 0.008 0.000 0.632 172 G HN 0.439 nan 8.290 nan 0.000 0.529 173 S N 0.913 116.600 115.700 -0.022 0.000 2.579 173 S HA 0.560 5.030 4.470 -0.000 0.000 0.275 173 S C 0.584 175.130 174.600 -0.091 0.000 1.345 173 S CA 0.746 58.922 58.200 -0.040 0.000 1.031 173 S CB 1.339 64.512 63.200 -0.044 0.000 0.892 173 S HN 1.381 nan 8.310 nan 0.000 0.529 174 T N -1.558 112.929 114.554 -0.113 0.000 2.906 174 T HA 0.770 5.120 4.350 -0.000 0.000 0.295 174 T C -0.632 173.830 174.700 -0.397 0.000 1.075 174 T CA -0.910 61.021 62.100 -0.281 0.000 1.005 174 T CB 1.181 69.892 68.868 -0.261 0.000 1.136 174 T HN 0.740 nan 8.240 nan 0.000 0.498 175 V N -0.942 118.543 119.914 -0.716 0.000 2.971 175 V HA 0.913 5.033 4.120 -0.000 0.000 0.309 175 V C -1.575 173.923 176.094 -0.992 0.000 1.130 175 V CA -1.314 60.621 62.300 -0.607 0.000 0.964 175 V CB 1.405 33.017 31.823 -0.353 0.000 1.029 175 V HN 0.956 nan 8.190 nan 0.000 0.427 176 F N 1.033 120.879 119.950 -0.173 0.000 2.603 176 F HA 0.807 5.333 4.527 -0.000 0.000 0.317 176 F C -0.516 175.148 175.800 -0.228 0.000 1.066 176 F CA -0.789 57.116 58.000 -0.159 0.000 0.941 176 F CB 1.961 40.934 39.000 -0.045 0.000 1.291 176 F HN 0.520 nan 8.300 nan 0.000 0.472 177 Y N 0.778 121.228 120.300 0.250 0.000 2.458 177 Y HA 0.495 5.045 4.550 0.000 0.000 0.322 177 Y C -2.157 173.906 175.900 0.271 0.000 1.259 177 Y CA -2.288 55.960 58.100 0.247 0.000 1.302 177 Y CB 0.470 39.076 38.460 0.243 0.000 1.314 177 Y HN 0.248 nan 8.280 nan 0.000 0.509 178 P HA 0.076 nan 4.420 nan 0.000 0.272 178 P C -0.656 176.790 177.300 0.244 0.000 1.230 178 P CA -0.225 63.035 63.100 0.267 0.000 0.788 178 P CB 0.498 32.329 31.700 0.219 0.000 0.949 179 L N 1.002 122.287 121.223 0.103 0.000 2.506 179 L HA 0.075 4.415 4.340 -0.000 0.000 0.281 179 L C 0.637 177.488 176.870 -0.032 0.000 1.228 179 L CA 0.886 55.738 54.840 0.021 0.000 0.850 179 L CB -0.063 41.947 42.059 -0.082 0.000 1.110 179 L HN 0.362 nan 8.230 nan 0.000 0.496 180 T N 1.561 116.102 114.554 -0.022 0.000 2.823 180 T HA 0.342 4.692 4.350 -0.000 0.000 0.279 180 T C -0.399 174.222 174.700 -0.132 0.000 0.998 180 T CA -0.602 61.475 62.100 -0.038 0.000 0.994 180 T CB 0.754 69.749 68.868 0.211 0.000 0.960 180 T HN 0.336 nan 8.240 nan 0.000 0.448 181 H N 3.121 122.260 119.070 0.114 0.000 2.620 181 H HA 0.325 4.881 4.556 0.000 0.000 0.313 181 H C -0.148 175.379 175.328 0.330 0.000 1.075 181 H CA -0.163 56.015 56.048 0.218 0.000 1.397 181 H CB 0.701 30.575 29.762 0.186 0.000 1.446 181 H HN 0.578 nan 8.280 nan 0.000 0.493 182 N N 2.376 121.275 118.700 0.332 0.000 2.321 182 N HA 0.267 5.007 4.740 -0.000 0.000 0.299 182 N C -1.038 174.310 175.510 -0.270 0.000 1.048 182 N CA -0.766 52.312 53.050 0.047 0.000 0.836 182 N CB 2.155 40.623 38.487 -0.033 0.000 1.269 182 N HN 0.257 nan 8.380 nan 0.000 0.486 183 L N 2.532 123.296 121.223 -0.766 0.000 2.305 183 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 183 L C -1.310 175.110 176.870 -0.750 0.000 1.013 183 L CA -0.456 53.772 54.840 -1.021 0.000 0.819 183 L CB 0.341 41.243 42.059 -1.930 0.000 1.227 183 L HN 0.629 nan 8.230 nan 0.000 0.417 184 H N 3.198 122.124 119.070 -0.240 0.000 2.495 184 H HA 0.679 5.235 4.556 -0.000 0.000 0.348 184 H C -0.962 174.290 175.328 -0.128 0.000 1.113 184 H CA -0.587 55.380 56.048 -0.135 0.000 1.195 184 H CB 1.535 31.270 29.762 -0.045 0.000 1.521 184 H HN 0.534 nan 8.280 nan 0.000 0.509 185 Q N 1.653 121.446 119.800 -0.012 0.000 2.304 185 Q HA 0.209 4.549 4.340 -0.000 0.000 0.270 185 Q C -0.837 175.146 176.000 -0.028 0.000 1.035 185 Q CA -0.815 54.962 55.803 -0.043 0.000 0.781 185 Q CB 2.404 31.082 28.738 -0.100 0.000 1.261 185 Q HN 0.732 nan 8.270 nan 0.000 0.444 186 D N 1.496 121.880 120.400 -0.027 0.000 2.723 186 D HA -0.208 4.432 4.640 -0.000 0.000 0.236 186 D C 0.820 177.098 176.300 -0.038 0.000 1.138 186 D CA 1.654 55.632 54.000 -0.038 0.000 0.676 186 D CB -0.805 39.966 40.800 -0.048 0.000 1.069 186 D HN 1.149 nan 8.370 nan 0.000 0.430 187 G N -0.286 108.504 108.800 -0.017 0.000 2.245 187 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.264 187 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.264 187 G C 0.426 175.335 174.900 0.016 0.000 0.985 187 G CA 0.589 45.673 45.100 -0.027 0.000 0.625 187 G HN 0.615 nan 8.290 nan 0.000 0.536 188 I N 0.631 121.228 120.570 0.045 0.000 2.493 188 I HA 0.710 4.880 4.170 -0.000 0.000 0.298 188 I C 0.421 176.610 176.117 0.121 0.000 0.998 188 I CA -1.469 59.880 61.300 0.081 0.000 1.137 188 I CB 1.116 39.134 38.000 0.030 0.000 1.310 188 I HN 0.122 nan 8.210 nan 0.000 0.445 189 L N 7.835 129.155 121.223 0.163 0.000 2.499 189 L HA 0.225 4.565 4.340 -0.000 0.000 0.273 189 L C 0.684 177.482 176.870 -0.121 0.000 1.195 189 L CA 0.738 55.534 54.840 -0.075 0.000 0.882 189 L CB 0.117 42.127 42.059 -0.081 0.000 1.133 189 L HN 0.673 nan 8.230 nan 0.000 0.483 190 R N 2.273 122.641 120.500 -0.220 0.000 2.225 190 R HA 0.349 4.689 4.340 -0.000 0.000 0.194 190 R C -0.244 176.000 176.300 -0.093 0.000 0.949 190 R CA 0.455 56.466 56.100 -0.148 0.000 1.088 190 R CB 0.091 30.275 30.300 -0.194 0.000 1.106 190 R HN 0.731 nan 8.270 nan 0.000 0.566 191 T N -0.229 114.229 114.554 -0.161 0.000 2.932 191 T HA 0.472 4.822 4.350 -0.000 0.000 0.318 191 T C -0.895 173.836 174.700 0.052 0.000 1.265 191 T CA -0.545 61.555 62.100 -0.001 0.000 1.036 191 T CB 2.667 71.588 68.868 0.088 0.000 1.209 191 T HN -0.182 nan 8.240 nan 0.000 0.484 192 S N 0.890 116.708 115.700 0.196 0.000 2.548 192 S HA 0.836 5.306 4.470 -0.000 0.000 0.286 192 S C -1.045 173.670 174.600 0.192 0.000 1.098 192 S CA -0.719 57.619 58.200 0.230 0.000 0.930 192 S CB 1.837 65.144 63.200 0.178 0.000 1.070 192 S HN 0.601 nan 8.310 nan 0.000 0.480 193 V N 1.671 121.652 119.914 0.110 0.000 2.686 193 V HA 0.851 4.971 4.120 -0.000 0.000 0.306 193 V C -0.501 175.410 176.094 -0.304 0.000 1.065 193 V CA -0.584 61.614 62.300 -0.171 0.000 0.894 193 V CB 1.679 33.290 31.823 -0.353 0.000 1.004 193 V HN 1.017 nan 8.190 nan 0.000 0.424 194 A N 4.366 126.793 122.820 -0.656 0.000 2.365 194 A HA 0.972 5.292 4.320 -0.000 0.000 0.318 194 A C -1.362 175.788 177.584 -0.723 0.000 1.091 194 A CA -0.367 51.225 52.037 -0.742 0.000 0.763 194 A CB 1.121 19.154 19.000 -1.612 0.000 1.248 194 A HN 0.592 nan 8.150 nan 0.000 0.442 195 F N 1.589 121.435 119.950 -0.174 0.000 2.538 195 F HA 0.529 5.056 4.527 -0.000 0.000 0.325 195 F C -1.536 174.231 175.800 -0.056 0.000 1.066 195 F CA -1.872 56.087 58.000 -0.067 0.000 0.946 195 F CB 1.795 40.799 39.000 0.007 0.000 1.199 195 F HN 0.374 nan 8.300 nan 0.000 0.473 196 P HA -0.136 nan 4.420 nan 0.000 0.216 196 P C -0.809 176.578 177.300 0.146 0.000 1.150 196 P CA 1.514 64.697 63.100 0.138 0.000 0.837 196 P CB 0.147 31.925 31.700 0.129 0.000 0.786 197 Q N -0.719 119.173 119.800 0.153 0.000 2.327 197 Q HA 0.635 4.975 4.340 -0.000 0.000 0.270 197 Q C -0.540 175.512 176.000 0.087 0.000 1.022 197 Q CA -0.543 55.320 55.803 0.100 0.000 0.773 197 Q CB 1.990 30.765 28.738 0.062 0.000 1.251 197 Q HN -0.015 nan 8.270 nan 0.000 0.457 198 A N 2.442 125.308 122.820 0.077 0.000 2.240 198 A HA 0.471 4.791 4.320 -0.000 0.000 0.292 198 A C -0.174 177.416 177.584 0.010 0.000 1.121 198 A CA -0.791 51.277 52.037 0.053 0.000 0.851 198 A CB 0.372 19.398 19.000 0.044 0.000 1.167 198 A HN 0.703 nan 8.150 nan 0.000 0.503 199 N N 0.410 119.110 118.700 0.000 0.000 2.414 199 N HA 0.166 4.906 4.740 -0.000 0.000 0.268 199 N C 1.206 176.710 175.510 -0.011 0.000 1.286 199 N CA 0.781 53.824 53.050 -0.013 0.000 0.896 199 N CB 1.066 39.550 38.487 -0.006 0.000 1.093 199 N HN 0.656 nan 8.380 nan 0.000 0.480 200 A N 3.555 126.367 122.820 -0.012 0.000 1.978 200 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 200 A C 1.893 179.465 177.584 -0.021 0.000 1.170 200 A CA 1.387 53.417 52.037 -0.012 0.000 0.636 200 A CB -0.199 18.795 19.000 -0.009 0.000 0.810 200 A HN 0.748 nan 8.150 nan 0.000 0.448 201 Q N -1.118 118.670 119.800 -0.020 0.000 2.083 201 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 201 Q C 2.298 178.277 176.000 -0.034 0.000 0.969 201 Q CA 1.388 57.176 55.803 -0.025 0.000 0.838 201 Q CB -0.163 28.564 28.738 -0.018 0.000 0.900 201 Q HN 0.778 nan 8.270 nan 0.000 0.436 202 Q N 0.376 120.158 119.800 -0.029 0.000 2.084 202 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 202 Q C 2.093 178.056 176.000 -0.062 0.000 0.978 202 Q CA 1.346 57.126 55.803 -0.038 0.000 0.844 202 Q CB 0.054 28.779 28.738 -0.022 0.000 0.898 202 Q HN 0.210 nan 8.270 nan 0.000 0.426 203 Q N 0.232 120.000 119.800 -0.054 0.000 2.084 203 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 203 Q C 1.771 177.701 176.000 -0.117 0.000 0.978 203 Q CA 1.836 57.594 55.803 -0.074 0.000 0.844 203 Q CB -0.276 28.441 28.738 -0.036 0.000 0.898 203 Q HN 0.370 nan 8.270 nan 0.000 0.426 204 A N 0.416 123.183 122.820 -0.090 0.000 1.898 204 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 204 A C 2.138 179.647 177.584 -0.125 0.000 1.181 204 A CA 1.419 53.393 52.037 -0.105 0.000 0.620 204 A CB -0.645 18.317 19.000 -0.064 0.000 0.819 204 A HN 0.417 nan 8.150 nan 0.000 0.442 205 R N -0.212 120.227 120.500 -0.101 0.000 2.080 205 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 205 R C 2.327 178.540 176.300 -0.146 0.000 1.137 205 R CA 1.690 57.730 56.100 -0.101 0.000 0.943 205 R CB -0.488 29.766 30.300 -0.076 0.000 0.846 205 R HN 0.422 nan 8.270 nan 0.000 0.431 206 A N 1.150 123.870 122.820 -0.167 0.000 1.883 206 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 206 A C 1.959 179.350 177.584 -0.322 0.000 1.186 206 A CA 1.866 53.774 52.037 -0.215 0.000 0.624 206 A CB -0.554 18.333 19.000 -0.188 0.000 0.822 206 A HN 0.575 nan 8.150 nan 0.000 0.444 207 E N -0.753 119.187 120.200 -0.434 0.000 2.077 207 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 207 E C 2.094 178.443 176.600 -0.418 0.000 0.989 207 E CA 1.182 57.128 56.400 -0.757 0.000 0.800 207 E CB -0.207 28.996 29.700 -0.827 0.000 0.746 207 E HN 0.843 nan 8.360 nan 0.000 0.452 208 E N 0.842 120.898 120.200 -0.239 0.000 2.077 208 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 208 E C 2.116 178.652 176.600 -0.106 0.000 0.989 208 E CA 1.048 57.371 56.400 -0.129 0.000 0.800 208 E CB 0.019 29.665 29.700 -0.090 0.000 0.746 208 E HN 0.229 nan 8.360 nan 0.000 0.452 209 M N 0.058 119.576 119.600 -0.138 0.000 2.077 209 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 209 M C 2.496 178.734 176.300 -0.103 0.000 1.070 209 M CA 0.925 56.149 55.300 -0.126 0.000 1.125 209 M CB -0.324 32.170 32.600 -0.177 0.000 1.339 209 M HN 0.219 nan 8.290 nan 0.000 0.409 210 L N 0.173 121.321 121.223 -0.125 0.000 2.042 210 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 210 L C 2.444 179.361 176.870 0.078 0.000 1.076 210 L CA 1.849 56.672 54.840 -0.028 0.000 0.749 210 L CB -0.752 41.317 42.059 0.017 0.000 0.893 210 L HN 0.165 nan 8.230 nan 0.000 0.432 211 S N -0.368 115.389 115.700 0.095 0.000 2.359 211 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 211 S C 2.087 176.734 174.600 0.078 0.000 1.035 211 S CA 1.206 59.504 58.200 0.162 0.000 1.018 211 S CB -0.598 62.680 63.200 0.130 0.000 0.876 211 S HN 0.675 nan 8.310 nan 0.000 0.448 212 A N 1.131 123.972 122.820 0.034 0.000 1.902 212 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 212 A C 2.072 179.674 177.584 0.031 0.000 1.181 212 A CA 1.177 53.232 52.037 0.029 0.000 0.623 212 A CB -0.651 18.360 19.000 0.019 0.000 0.818 212 A HN 0.486 nan 8.150 nan 0.000 0.443 213 I N -0.651 119.933 120.570 0.023 0.000 2.163 213 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 213 I C 2.714 178.839 176.117 0.013 0.000 1.081 213 I CA 1.675 62.987 61.300 0.019 0.000 1.353 213 I CB -0.337 37.667 38.000 0.007 0.000 1.054 213 I HN 0.333 nan 8.210 nan 0.000 0.407 214 M N -0.329 119.288 119.600 0.028 0.000 2.159 214 M HA -0.246 4.234 4.480 -0.000 0.000 0.263 214 M C 2.339 178.679 176.300 0.066 0.000 1.063 214 M CA 1.583 56.916 55.300 0.055 0.000 1.110 214 M CB -0.496 32.164 32.600 0.101 0.000 1.374 214 M HN 0.195 nan 8.290 nan 0.000 0.411 215 Q N 1.292 121.124 119.800 0.054 0.000 2.050 215 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 215 Q C 1.772 177.792 176.000 0.033 0.000 0.980 215 Q CA 2.189 58.018 55.803 0.043 0.000 0.840 215 Q CB -0.263 28.501 28.738 0.043 0.000 0.898 215 Q HN 0.500 nan 8.270 nan 0.000 0.424 216 E N -0.232 119.985 120.200 0.028 0.000 2.077 216 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 216 E C 1.775 178.381 176.600 0.011 0.000 0.989 216 E CA 1.480 57.891 56.400 0.019 0.000 0.800 216 E CB -0.428 29.282 29.700 0.018 0.000 0.746 216 E HN 0.515 nan 8.360 nan 0.000 0.452 217 L N -0.678 120.552 121.223 0.011 0.000 2.395 217 L HA 0.146 4.486 4.340 -0.000 0.000 0.218 217 L C 1.495 178.380 176.870 0.025 0.000 1.130 217 L CA 0.458 55.301 54.840 0.004 0.000 0.826 217 L CB -0.399 41.657 42.059 -0.005 0.000 0.941 217 L HN 0.495 nan 8.230 nan 0.000 0.451 218 G N -0.394 108.430 108.800 0.039 0.000 2.221 218 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.265 218 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.265 218 G C 0.002 174.921 174.900 0.032 0.000 1.041 218 G CA 0.003 45.121 45.100 0.031 0.000 0.807 218 G HN 0.337 nan 8.290 nan 0.000 0.502 219 Y N -0.151 120.092 120.300 -0.095 0.000 2.346 219 Y HA 0.492 5.041 4.550 -0.000 0.000 0.330 219 Y C 0.286 176.086 175.900 -0.167 0.000 1.178 219 Y CA -0.293 57.727 58.100 -0.134 0.000 1.331 219 Y CB 1.250 39.643 38.460 -0.112 0.000 1.253 219 Y HN 0.182 nan 8.280 nan 0.000 0.529 220 V N 5.875 125.317 119.914 -0.787 0.000 2.483 220 V HA 0.814 4.934 4.120 -0.000 0.000 0.297 220 V C 0.150 175.690 176.094 -0.925 0.000 1.027 220 V CA 0.083 61.916 62.300 -0.777 0.000 0.855 220 V CB 0.753 31.970 31.823 -1.011 0.000 0.995 220 V HN 1.191 nan 8.190 nan 0.000 0.424 221 G N 3.560 112.035 108.800 -0.542 0.000 2.316 221 G HA2 0.099 4.059 3.960 -0.000 0.000 0.349 221 G HA3 0.099 4.059 3.960 -0.000 0.000 0.349 221 G C -1.184 173.816 174.900 0.166 0.000 1.274 221 G CA -0.404 44.530 45.100 -0.277 0.000 1.018 221 G HN 0.681 nan 8.290 nan 0.000 0.486 222 V N 1.184 121.391 119.914 0.488 0.000 2.546 222 V HA 0.703 4.823 4.120 -0.000 0.000 0.284 222 V C 0.669 176.955 176.094 0.320 0.000 1.050 222 V CA 0.330 62.807 62.300 0.296 0.000 0.981 222 V CB 1.381 33.290 31.823 0.143 0.000 0.990 222 V HN 0.931 nan 8.190 nan 0.000 0.474 223 M N 4.266 123.955 119.600 0.148 0.000 2.501 223 M HA 0.811 5.291 4.480 -0.000 0.000 0.293 223 M C -1.047 175.229 176.300 -0.039 0.000 1.192 223 M CA -0.531 54.754 55.300 -0.025 0.000 0.886 223 M CB 2.154 34.601 32.600 -0.255 0.000 1.710 223 M HN 0.676 nan 8.290 nan 0.000 0.457 224 A N 4.732 127.484 122.820 -0.113 0.000 2.342 224 A HA 0.766 5.086 4.320 -0.000 0.000 0.323 224 A C -1.250 176.189 177.584 -0.242 0.000 1.125 224 A CA -0.755 51.158 52.037 -0.206 0.000 0.785 224 A CB 1.336 20.071 19.000 -0.442 0.000 1.221 224 A HN 0.981 nan 8.150 nan 0.000 0.463 225 M N 2.896 122.371 119.600 -0.209 0.000 2.078 225 M HA 0.359 4.839 4.480 -0.000 0.000 0.320 225 M C -0.915 175.234 176.300 -0.252 0.000 0.969 225 M CA -0.083 55.085 55.300 -0.221 0.000 0.929 225 M CB 0.843 33.329 32.600 -0.189 0.000 1.504 225 M HN 0.769 nan 8.290 nan 0.000 0.419 226 E N 3.784 123.816 120.200 -0.281 0.000 2.259 226 E HA 0.412 4.762 4.350 -0.000 0.000 0.281 226 E C -1.127 175.255 176.600 -0.362 0.000 1.027 226 E CA -0.502 55.739 56.400 -0.266 0.000 0.838 226 E CB 1.424 30.983 29.700 -0.236 0.000 1.066 226 E HN 0.686 nan 8.360 nan 0.000 0.401 227 C N 2.488 121.597 119.300 -0.318 0.000 3.080 227 C HA 0.555 5.015 4.460 -0.000 0.000 0.307 227 C C -1.151 173.700 174.990 -0.233 0.000 1.311 227 C CA -0.859 57.941 59.018 -0.365 0.000 1.533 227 C CB 0.911 28.526 27.740 -0.207 0.000 1.970 227 C HN 0.609 nan 8.230 nan 0.000 0.467 228 F N 1.212 121.046 119.950 -0.193 0.000 2.458 228 F HA 0.529 5.056 4.527 0.000 0.000 0.336 228 F C 0.112 175.879 175.800 -0.054 0.000 1.114 228 F CA -1.216 56.652 58.000 -0.221 0.000 0.987 228 F CB 1.201 40.135 39.000 -0.111 0.000 1.130 228 F HN 0.147 nan 8.300 nan 0.000 0.458 229 V N 3.100 123.136 119.914 0.204 0.000 2.408 229 V HA 0.467 4.587 4.120 -0.000 0.000 0.267 229 V C 0.237 176.453 176.094 0.203 0.000 1.047 229 V CA -0.330 62.072 62.300 0.169 0.000 0.937 229 V CB 0.723 32.639 31.823 0.154 0.000 0.999 229 V HN 0.895 nan 8.190 nan 0.000 0.472 230 T N 2.949 117.594 114.554 0.152 0.000 2.907 230 T HA 0.535 4.885 4.350 -0.000 0.000 0.290 230 T C -2.068 172.682 174.700 0.083 0.000 1.066 230 T CA -2.050 60.127 62.100 0.128 0.000 1.012 230 T CB 2.352 71.299 68.868 0.132 0.000 1.184 230 T HN 0.352 nan 8.240 nan 0.000 0.522 231 P HA 0.035 nan 4.420 nan 0.000 0.230 231 P C 0.676 178.000 177.300 0.039 0.000 1.158 231 P CA 0.784 63.912 63.100 0.046 0.000 0.769 231 P CB 0.109 31.832 31.700 0.037 0.000 0.807 232 Q N -0.683 119.145 119.800 0.047 0.000 2.319 232 Q HA 0.394 4.734 4.340 -0.000 0.000 0.202 232 Q C 1.112 177.131 176.000 0.032 0.000 0.896 232 Q CA 0.502 56.327 55.803 0.038 0.000 0.942 232 Q CB 0.344 29.108 28.738 0.044 0.000 1.083 232 Q HN 0.259 nan 8.270 nan 0.000 0.510 233 G N -0.873 107.950 108.800 0.037 0.000 2.331 233 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.479 233 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.479 233 G C -1.478 173.441 174.900 0.032 0.000 1.262 233 G CA -1.061 44.053 45.100 0.023 0.000 1.029 233 G HN 0.044 nan 8.290 nan 0.000 0.487 234 L N -0.440 120.784 121.223 0.003 0.000 2.399 234 L HA 0.748 5.088 4.340 -0.000 0.000 0.266 234 L C 0.034 176.889 176.870 -0.025 0.000 1.114 234 L CA -0.763 54.074 54.840 -0.004 0.000 0.804 234 L CB 1.003 43.027 42.059 -0.058 0.000 1.146 234 L HN 0.459 nan 8.230 nan 0.000 0.451 235 L N 2.322 123.534 121.223 -0.018 0.000 2.362 235 L HA 0.505 4.845 4.340 -0.000 0.000 0.271 235 L C -0.217 176.496 176.870 -0.262 0.000 1.002 235 L CA -0.127 54.672 54.840 -0.069 0.000 0.818 235 L CB 1.874 43.979 42.059 0.076 0.000 1.298 235 L HN 0.340 nan 8.230 nan 0.000 0.420 236 I N 1.931 122.274 120.570 -0.378 0.000 2.441 236 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 236 I C 0.793 176.574 176.117 -0.559 0.000 1.049 236 I CA -0.185 60.776 61.300 -0.566 0.000 1.381 236 I CB 1.119 38.548 38.000 -0.952 0.000 1.409 236 I HN 0.708 nan 8.210 nan 0.000 0.523 237 N N 4.868 123.162 118.700 -0.676 0.000 2.322 237 N HA -0.027 4.713 4.740 -0.000 0.000 0.186 237 N C -0.043 175.315 175.510 -0.254 0.000 1.037 237 N CA 0.851 53.484 53.050 -0.695 0.000 0.869 237 N CB 0.523 38.322 38.487 -1.146 0.000 1.036 237 N HN 0.798 nan 8.380 nan 0.000 0.439 238 E N -1.197 118.877 120.200 -0.211 0.000 2.429 238 E HA 0.370 4.720 4.350 -0.000 0.000 0.280 238 E C -1.589 174.980 176.600 -0.051 0.000 1.068 238 E CA -0.866 55.516 56.400 -0.030 0.000 0.837 238 E CB 0.889 30.554 29.700 -0.059 0.000 1.357 238 E HN 0.045 nan 8.360 nan 0.000 0.455 239 L N 0.346 121.576 121.223 0.012 0.000 2.341 239 L HA 0.892 5.232 4.340 -0.000 0.000 0.267 239 L C -0.771 176.075 176.870 -0.040 0.000 1.009 239 L CA -1.314 53.500 54.840 -0.044 0.000 0.819 239 L CB 2.061 44.115 42.059 -0.009 0.000 1.323 239 L HN 0.771 nan 8.230 nan 0.000 0.425 240 A N 2.160 124.944 122.820 -0.059 0.000 2.340 240 A HA 0.654 4.974 4.320 -0.000 0.000 0.297 240 A C -2.499 175.086 177.584 0.002 0.000 1.195 240 A CA -1.357 50.695 52.037 0.025 0.000 0.769 240 A CB 0.907 19.998 19.000 0.152 0.000 1.163 240 A HN 0.421 nan 8.150 nan 0.000 0.472 241 P HA 0.257 nan 4.420 nan 0.000 0.225 241 P C -0.532 176.944 177.300 0.292 0.000 1.813 241 P CA 0.177 63.336 63.100 0.099 0.000 1.013 241 P CB -0.691 31.182 31.700 0.288 0.000 1.961 242 R N -1.282 119.307 120.500 0.148 0.000 3.084 242 R HA 0.311 4.651 4.340 -0.000 0.000 0.280 242 R C -0.762 175.506 176.300 -0.053 0.000 0.935 242 R CA -1.069 55.049 56.100 0.030 0.000 0.815 242 R CB -0.452 29.861 30.300 0.022 0.000 1.457 242 R HN -0.135 nan 8.270 nan 0.000 0.499 243 V N -1.002 118.798 119.914 -0.190 0.000 2.999 243 V HA 0.336 4.456 4.120 -0.000 0.000 0.307 243 V C 0.115 176.168 176.094 -0.068 0.000 1.084 243 V CA 0.222 62.385 62.300 -0.228 0.000 1.155 243 V CB 0.558 32.120 31.823 -0.435 0.000 0.975 243 V HN 0.741 nan 8.190 nan 0.000 0.490 244 H N 2.297 121.229 119.070 -0.230 0.000 2.895 244 H HA 0.315 4.871 4.556 0.000 0.000 0.373 244 H C 0.711 175.813 175.328 -0.377 0.000 1.174 244 H CA -0.139 55.790 56.048 -0.199 0.000 1.144 244 H CB 2.311 31.982 29.762 -0.152 0.000 1.793 244 H HN 0.886 nan 8.280 nan 0.000 0.551 245 N N 0.789 118.972 118.700 -0.863 0.000 2.137 245 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 245 N C 1.651 176.707 175.510 -0.756 0.000 1.017 245 N CA 1.814 54.224 53.050 -1.066 0.000 0.859 245 N CB 0.185 38.298 38.487 -0.622 0.000 1.002 245 N HN 0.568 nan 8.380 nan 0.000 0.428 246 S N -1.215 114.350 115.700 -0.225 0.000 2.447 246 S HA -0.018 4.452 4.470 -0.000 0.000 0.233 246 S C 1.648 176.231 174.600 -0.028 0.000 1.006 246 S CA 0.890 59.106 58.200 0.026 0.000 0.957 246 S CB -0.159 63.200 63.200 0.265 0.000 0.773 246 S HN 0.355 nan 8.310 nan 0.000 0.507 247 G N -0.198 108.465 108.800 -0.227 0.000 3.371 247 G HA2 0.193 4.153 3.960 -0.000 0.000 0.248 247 G HA3 0.193 4.153 3.960 -0.000 0.000 0.248 247 G C 0.699 175.263 174.900 -0.559 0.000 1.161 247 G CA -0.325 44.480 45.100 -0.493 0.000 0.796 247 G HN 0.471 nan 8.290 nan 0.000 0.539 248 H N 0.388 119.241 119.070 -0.362 0.000 2.457 248 H HA -0.085 4.471 4.556 -0.000 0.000 0.294 248 H C 2.306 177.474 175.328 -0.266 0.000 1.064 248 H CA 0.591 56.438 56.048 -0.335 0.000 1.330 248 H CB -0.243 29.134 29.762 -0.640 0.000 1.395 248 H HN 0.842 nan 8.280 nan 0.000 0.541 249 W N 1.839 123.121 121.300 -0.031 0.000 2.341 249 W HA -0.198 4.462 4.660 0.000 0.000 0.283 249 W C 1.367 177.869 176.519 -0.028 0.000 1.215 249 W CA 1.546 58.890 57.345 -0.001 0.000 1.211 249 W CB -1.407 28.048 29.460 -0.008 0.000 1.131 249 W HN 0.204 nan 8.180 nan 0.000 0.552 250 T N -0.685 113.342 114.554 -0.878 0.000 2.977 250 T HA -0.244 4.106 4.350 -0.000 0.000 0.271 250 T C 1.667 176.218 174.700 -0.248 0.000 1.105 250 T CA 1.751 63.344 62.100 -0.844 0.000 1.116 250 T CB -0.584 67.489 68.868 -1.325 0.000 0.878 250 T HN 0.377 nan 8.240 nan 0.000 0.509 251 Q N 1.072 120.808 119.800 -0.106 0.000 2.170 251 Q HA -0.046 4.294 4.340 -0.000 0.000 0.203 251 Q C 1.567 177.581 176.000 0.023 0.000 0.976 251 Q CA 1.732 57.541 55.803 0.011 0.000 0.858 251 Q CB -0.150 28.577 28.738 -0.019 0.000 0.907 251 Q HN 0.726 nan 8.270 nan 0.000 0.433 252 N N -1.913 116.813 118.700 0.044 0.000 2.257 252 N HA 0.078 4.818 4.740 -0.000 0.000 0.200 252 N C 0.897 176.474 175.510 0.112 0.000 1.163 252 N CA 0.440 53.493 53.050 0.005 0.000 0.891 252 N CB 0.990 39.396 38.487 -0.135 0.000 1.067 252 N HN 0.127 nan 8.380 nan 0.000 0.497 253 G N -0.750 108.189 108.800 0.233 0.000 3.277 253 G HA2 0.615 4.575 3.960 -0.000 0.000 0.243 253 G HA3 0.615 4.575 3.960 -0.000 0.000 0.243 253 G C -0.099 175.038 174.900 0.396 0.000 1.107 253 G CA -0.003 45.311 45.100 0.356 0.000 0.771 253 G HN 0.303 nan 8.290 nan 0.000 0.544 254 A N -0.107 122.858 122.820 0.242 0.000 2.469 254 A HA 0.662 4.982 4.320 -0.000 0.000 0.299 254 A C 1.247 178.925 177.584 0.155 0.000 1.098 254 A CA 0.387 52.569 52.037 0.242 0.000 0.737 254 A CB 1.076 20.209 19.000 0.223 0.000 1.312 254 A HN 0.503 nan 8.150 nan 0.000 0.414 255 S N 0.169 115.958 115.700 0.148 0.000 2.453 255 S HA 0.142 4.612 4.470 -0.000 0.000 0.231 255 S C 0.423 175.076 174.600 0.088 0.000 1.005 255 S CA 0.971 59.231 58.200 0.101 0.000 0.949 255 S CB -0.472 62.778 63.200 0.083 0.000 0.774 255 S HN 0.526 nan 8.310 nan 0.000 0.510 256 I N 2.312 122.949 120.570 0.111 0.000 2.447 256 I HA 0.323 4.493 4.170 -0.000 0.000 0.287 256 I C 0.084 176.285 176.117 0.140 0.000 1.023 256 I CA -0.665 60.694 61.300 0.100 0.000 1.083 256 I CB 2.302 40.343 38.000 0.068 0.000 1.245 256 I HN 0.206 nan 8.210 nan 0.000 0.434 257 S N 4.334 120.086 115.700 0.087 0.000 2.624 257 S HA 0.133 4.603 4.470 -0.000 0.000 0.263 257 S C 1.055 175.656 174.600 0.000 0.000 1.287 257 S CA -0.402 57.805 58.200 0.013 0.000 0.990 257 S CB 1.155 64.408 63.200 0.088 0.000 0.950 257 S HN 0.776 nan 8.310 nan 0.000 0.561 258 Q N 0.274 119.914 119.800 -0.267 0.000 2.170 258 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 258 Q C 1.352 177.181 176.000 -0.284 0.000 0.976 258 Q CA 1.512 57.142 55.803 -0.288 0.000 0.858 258 Q CB -0.743 27.648 28.738 -0.580 0.000 0.907 258 Q HN 0.755 nan 8.270 nan 0.000 0.433 259 F N 1.803 121.749 119.950 -0.007 0.000 2.146 259 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 259 F C 2.202 178.035 175.800 0.054 0.000 1.096 259 F CA 1.352 59.365 58.000 0.021 0.000 1.275 259 F CB -0.235 38.752 39.000 -0.023 0.000 1.008 259 F HN 0.067 nan 8.300 nan 0.000 0.480 260 E N 0.137 120.452 120.200 0.191 0.000 2.106 260 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 260 E C 2.120 178.769 176.600 0.082 0.000 0.984 260 E CA 0.988 57.459 56.400 0.119 0.000 0.806 260 E CB -0.370 29.384 29.700 0.090 0.000 0.750 260 E HN 0.241 nan 8.360 nan 0.000 0.458 261 L N 0.536 121.805 121.223 0.076 0.000 2.046 261 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 261 L C 2.334 179.223 176.870 0.031 0.000 1.077 261 L CA 1.934 56.796 54.840 0.036 0.000 0.747 261 L CB -0.430 41.655 42.059 0.042 0.000 0.896 261 L HN 0.139 nan 8.230 nan 0.000 0.432 262 H N -0.958 118.097 119.070 -0.025 0.000 2.353 262 H HA -0.145 4.411 4.556 0.000 0.000 0.300 262 H C 2.053 177.371 175.328 -0.016 0.000 1.090 262 H CA 2.256 58.287 56.048 -0.029 0.000 1.327 262 H CB -0.135 29.625 29.762 -0.005 0.000 1.383 262 H HN 0.357 nan 8.280 nan 0.000 0.508 263 L N -0.447 120.796 121.223 0.033 0.000 2.093 263 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 263 L C 2.711 179.551 176.870 -0.049 0.000 1.085 263 L CA 1.231 56.061 54.840 -0.017 0.000 0.755 263 L CB -0.332 41.758 42.059 0.052 0.000 0.904 263 L HN 0.211 nan 8.230 nan 0.000 0.435 264 R N 0.081 120.562 120.500 -0.032 0.000 2.083 264 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 264 R C 2.492 178.755 176.300 -0.062 0.000 1.137 264 R CA 1.498 57.581 56.100 -0.030 0.000 0.951 264 R CB -0.580 29.705 30.300 -0.025 0.000 0.851 264 R HN 0.371 nan 8.270 nan 0.000 0.434 265 A N 1.785 124.521 122.820 -0.140 0.000 1.851 265 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 265 A C 2.229 179.635 177.584 -0.295 0.000 1.195 265 A CA 1.861 53.754 52.037 -0.241 0.000 0.622 265 A CB -0.827 17.979 19.000 -0.323 0.000 0.831 265 A HN 0.513 nan 8.150 nan 0.000 0.444 266 I N -1.880 118.491 120.570 -0.331 0.000 2.614 266 I HA -0.095 4.075 4.170 -0.000 0.000 0.258 266 I C 1.740 177.941 176.117 0.139 0.000 1.189 266 I CA 1.983 63.155 61.300 -0.213 0.000 1.462 266 I CB -0.566 37.257 38.000 -0.294 0.000 1.092 266 I HN 0.341 nan 8.210 nan 0.000 0.442 267 T N -3.435 111.174 114.554 0.093 0.000 3.105 267 T HA 0.161 4.511 4.350 -0.000 0.000 0.253 267 T C 0.655 175.449 174.700 0.155 0.000 1.047 267 T CA 0.217 62.395 62.100 0.130 0.000 0.944 267 T CB -0.309 68.597 68.868 0.063 0.000 1.016 267 T HN 0.427 nan 8.240 nan 0.000 0.544 268 D N 0.297 120.846 120.400 0.250 0.000 2.800 268 D HA -0.126 4.514 4.640 -0.000 0.000 0.232 268 D C -0.238 176.118 176.300 0.095 0.000 1.137 268 D CA 0.355 54.490 54.000 0.224 0.000 0.718 268 D CB -1.770 39.122 40.800 0.154 0.000 1.084 268 D HN 0.571 nan 8.370 nan 0.000 0.432 269 L N -0.654 120.603 121.223 0.056 0.000 2.440 269 L HA 0.576 4.916 4.340 -0.000 0.000 0.262 269 L C -1.479 175.400 176.870 0.015 0.000 1.072 269 L CA -1.892 52.965 54.840 0.028 0.000 0.798 269 L CB 0.229 42.299 42.059 0.018 0.000 1.307 269 L HN -0.130 nan 8.230 nan 0.000 0.475 270 P HA 0.093 nan 4.420 nan 0.000 0.271 270 P C -0.753 176.535 177.300 -0.020 0.000 1.216 270 P CA -0.151 62.946 63.100 -0.004 0.000 0.776 270 P CB 0.562 32.261 31.700 -0.002 0.000 0.881 271 L N 4.723 125.925 121.223 -0.035 0.000 2.637 271 L HA 0.375 4.715 4.340 -0.000 0.000 0.241 271 L C -2.108 174.720 176.870 -0.071 0.000 1.398 271 L CA -1.789 53.012 54.840 -0.064 0.000 0.895 271 L CB 0.203 42.210 42.059 -0.087 0.000 1.183 271 L HN 0.283 nan 8.230 nan 0.000 0.497 272 P HA 0.112 nan 4.420 nan 0.000 0.275 272 P C -0.768 176.488 177.300 -0.074 0.000 1.266 272 P CA -0.564 62.507 63.100 -0.047 0.000 0.793 272 P CB 0.657 32.343 31.700 -0.024 0.000 1.074 273 Q N 1.193 120.955 119.800 -0.064 0.000 2.286 273 Q HA 0.209 4.549 4.340 -0.000 0.000 0.267 273 Q C -2.183 173.778 176.000 -0.064 0.000 1.028 273 Q CA -1.334 54.419 55.803 -0.084 0.000 0.901 273 Q CB -0.666 28.048 28.738 -0.039 0.000 1.183 273 Q HN 0.216 nan 8.270 nan 0.000 0.392 274 P HA -0.024 nan 4.420 nan 0.000 0.267 274 P C -1.144 176.190 177.300 0.057 0.000 1.200 274 P CA -0.181 62.910 63.100 -0.015 0.000 0.772 274 P CB 0.663 32.345 31.700 -0.029 0.000 0.855 275 V N 3.893 123.863 119.914 0.094 0.000 2.465 275 V HA 0.218 4.338 4.120 -0.000 0.000 0.279 275 V C 0.188 176.387 176.094 0.175 0.000 1.045 275 V CA -0.162 62.205 62.300 0.111 0.000 0.938 275 V CB 1.545 33.421 31.823 0.088 0.000 0.986 275 V HN 0.208 nan 8.190 nan 0.000 0.467 276 V N 5.323 125.354 119.914 0.196 0.000 2.409 276 V HA 0.421 4.541 4.120 -0.000 0.000 0.290 276 V C 0.218 176.412 176.094 0.167 0.000 1.017 276 V CA -0.495 61.955 62.300 0.249 0.000 0.841 276 V CB 1.523 33.563 31.823 0.362 0.000 1.003 276 V HN 0.869 nan 8.190 nan 0.000 0.426 277 N N 2.588 121.371 118.700 0.139 0.000 2.348 277 N HA 0.180 4.920 4.740 -0.000 0.000 0.183 277 N C 0.253 175.816 175.510 0.088 0.000 1.094 277 N CA 0.311 53.422 53.050 0.102 0.000 0.885 277 N CB 0.484 39.023 38.487 0.086 0.000 1.065 277 N HN 0.549 nan 8.380 nan 0.000 0.472 278 N N 0.090 118.840 118.700 0.082 0.000 2.469 278 N HA 0.483 5.223 4.740 -0.000 0.000 0.286 278 N C -2.725 172.784 175.510 -0.001 0.000 1.275 278 N CA -1.246 51.833 53.050 0.048 0.000 0.790 278 N CB 1.457 39.968 38.487 0.040 0.000 1.446 278 N HN -0.152 nan 8.380 nan 0.000 0.501 279 P HA 0.397 nan 4.420 nan 0.000 0.278 279 P C -0.764 176.436 177.300 -0.168 0.000 1.258 279 P CA -0.190 62.798 63.100 -0.188 0.000 0.811 279 P CB 0.774 32.384 31.700 -0.150 0.000 1.063 280 S N -0.565 114.971 115.700 -0.274 0.000 2.556 280 S HA 0.594 5.064 4.470 -0.000 0.000 0.271 280 S C -1.046 173.491 174.600 -0.105 0.000 1.135 280 S CA -0.514 57.614 58.200 -0.121 0.000 0.858 280 S CB 1.365 64.509 63.200 -0.093 0.000 1.114 280 S HN 0.118 nan 8.310 nan 0.000 0.468 281 V N 3.076 123.025 119.914 0.059 0.000 2.823 281 V HA 0.650 4.770 4.120 -0.000 0.000 0.312 281 V C -0.594 175.605 176.094 0.176 0.000 1.072 281 V CA -0.632 61.729 62.300 0.103 0.000 0.937 281 V CB 2.027 33.942 31.823 0.155 0.000 1.013 281 V HN 0.888 nan 8.190 nan 0.000 0.430 282 M N 4.938 124.653 119.600 0.190 0.000 2.204 282 M HA 0.606 5.086 4.480 -0.000 0.000 0.293 282 M C -2.044 174.365 176.300 0.182 0.000 0.994 282 M CA -0.420 55.015 55.300 0.225 0.000 0.925 282 M CB 1.619 34.352 32.600 0.221 0.000 1.577 282 M HN 0.575 nan 8.290 nan 0.000 0.439 283 I N 4.453 125.123 120.570 0.168 0.000 2.339 283 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 283 I C -0.128 176.082 176.117 0.155 0.000 0.994 283 I CA -0.807 60.574 61.300 0.134 0.000 1.191 283 I CB 1.502 39.537 38.000 0.058 0.000 1.343 283 I HN 0.648 nan 8.210 nan 0.000 0.458 284 N N 6.459 125.252 118.700 0.155 0.000 2.530 284 N HA 0.375 5.115 4.740 -0.000 0.000 0.273 284 N C -0.780 174.859 175.510 0.216 0.000 1.173 284 N CA -0.115 53.039 53.050 0.174 0.000 0.967 284 N CB 1.202 39.760 38.487 0.118 0.000 1.109 284 N HN 0.419 nan 8.380 nan 0.000 0.453 285 L N 3.496 124.813 121.223 0.157 0.000 2.265 285 L HA 0.503 4.843 4.340 -0.000 0.000 0.289 285 L C -0.216 176.766 176.870 0.187 0.000 1.033 285 L CA -0.441 54.520 54.840 0.203 0.000 0.814 285 L CB 0.714 42.827 42.059 0.089 0.000 1.203 285 L HN 0.335 nan 8.230 nan 0.000 0.423 286 I N 2.492 123.216 120.570 0.257 0.000 2.439 286 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 286 I C 0.906 177.117 176.117 0.157 0.000 1.021 286 I CA -0.176 61.205 61.300 0.135 0.000 1.091 286 I CB 1.916 39.938 38.000 0.036 0.000 1.242 286 I HN 0.781 nan 8.210 nan 0.000 0.439 287 G N 3.765 112.644 108.800 0.132 0.000 2.180 287 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.263 287 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.263 287 G C 0.120 175.135 174.900 0.191 0.000 0.989 287 G CA 0.539 45.718 45.100 0.133 0.000 0.692 287 G HN 0.547 nan 8.290 nan 0.000 0.526 288 S N 0.189 116.053 115.700 0.273 0.000 2.578 288 S HA 0.596 5.066 4.470 -0.000 0.000 0.301 288 S C -0.321 174.493 174.600 0.356 0.000 1.091 288 S CA -0.896 57.489 58.200 0.309 0.000 1.032 288 S CB 1.905 65.340 63.200 0.391 0.000 1.064 288 S HN 0.270 nan 8.310 nan 0.000 0.508 289 D N 1.166 121.707 120.400 0.235 0.000 2.329 289 D HA 0.184 4.824 4.640 -0.000 0.000 0.246 289 D C 0.125 176.398 176.300 -0.045 0.000 1.111 289 D CA -0.291 53.803 54.000 0.156 0.000 0.941 289 D CB 1.185 41.981 40.800 -0.005 0.000 1.169 289 D HN 0.247 nan 8.370 nan 0.000 0.441 290 V N 1.954 121.549 119.914 -0.532 0.000 2.740 290 V HA 0.022 4.142 4.120 -0.000 0.000 0.303 290 V C -0.121 175.274 176.094 -1.165 0.000 1.054 290 V CA 0.106 61.761 62.300 -1.076 0.000 1.106 290 V CB 0.946 31.668 31.823 -1.834 0.000 0.957 290 V HN 0.516 nan 8.190 nan 0.000 0.486 291 N N 4.738 122.289 118.700 -1.914 0.000 2.540 291 N HA 0.297 5.037 4.740 -0.000 0.000 0.275 291 N C -0.256 174.382 175.510 -1.452 0.000 1.053 291 N CA -0.391 51.735 53.050 -1.540 0.000 0.876 291 N CB 0.814 38.376 38.487 -1.542 0.000 1.284 291 N HN 0.611 nan 8.380 nan 0.000 0.518 292 Y N 0.945 120.829 120.300 -0.693 0.000 2.639 292 Y HA -0.041 4.509 4.550 -0.000 0.000 0.297 292 Y C 1.088 176.788 175.900 -0.334 0.000 1.151 292 Y CA 0.209 58.048 58.100 -0.435 0.000 1.335 292 Y CB 0.338 38.616 38.460 -0.304 0.000 0.994 292 Y HN 0.515 nan 8.280 nan 0.000 0.548 293 D N -0.787 119.421 120.400 -0.319 0.000 2.263 293 D HA -0.183 4.457 4.640 -0.000 0.000 0.208 293 D C 1.560 177.832 176.300 -0.046 0.000 0.971 293 D CA 0.871 54.772 54.000 -0.165 0.000 0.867 293 D CB -0.283 40.410 40.800 -0.179 0.000 0.929 293 D HN 0.382 nan 8.370 nan 0.000 0.492 294 W N 0.803 122.067 121.300 -0.060 0.000 2.331 294 W HA -0.065 4.595 4.660 0.000 0.000 0.291 294 W C 1.818 178.312 176.519 -0.042 0.000 1.214 294 W CA 0.311 57.618 57.345 -0.064 0.000 1.228 294 W CB -1.039 28.364 29.460 -0.094 0.000 1.135 294 W HN 0.112 nan 8.180 nan 0.000 0.537 295 L N 0.283 121.602 121.223 0.160 0.000 2.622 295 L HA -0.088 4.252 4.340 -0.000 0.000 0.233 295 L C 2.043 178.936 176.870 0.039 0.000 1.156 295 L CA 0.786 55.682 54.840 0.092 0.000 0.866 295 L CB -0.664 41.450 42.059 0.091 0.000 0.980 295 L HN -0.050 nan 8.230 nan 0.000 0.448 296 K N 0.437 120.859 120.400 0.037 0.000 2.288 296 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 296 K C 0.495 177.103 176.600 0.014 0.000 1.048 296 K CA 0.558 56.854 56.287 0.014 0.000 0.956 296 K CB 0.089 32.596 32.500 0.012 0.000 0.746 296 K HN 0.285 nan 8.250 nan 0.000 0.461 297 L N 3.104 124.344 121.223 0.028 0.000 2.268 297 L HA 0.152 4.492 4.340 -0.000 0.000 0.289 297 L C -1.448 175.411 176.870 -0.019 0.000 1.064 297 L CA -1.598 53.249 54.840 0.011 0.000 0.824 297 L CB 0.819 42.895 42.059 0.028 0.000 1.202 297 L HN -0.079 nan 8.230 nan 0.000 0.433 298 P HA -0.168 nan 4.420 nan 0.000 0.221 298 P C 1.283 178.519 177.300 -0.105 0.000 1.145 298 P CA 1.180 64.247 63.100 -0.056 0.000 0.795 298 P CB 0.451 32.131 31.700 -0.034 0.000 0.775 299 L N -0.999 120.168 121.223 -0.093 0.000 2.492 299 L HA 0.060 4.399 4.340 -0.000 0.000 0.223 299 L C 0.910 177.649 176.870 -0.219 0.000 1.132 299 L CA 0.034 54.800 54.840 -0.124 0.000 0.850 299 L CB -0.125 41.907 42.059 -0.045 0.000 0.966 299 L HN -0.234 nan 8.230 nan 0.000 0.454 300 V N 0.918 120.731 119.914 -0.168 0.000 2.470 300 V HA 0.023 4.143 4.120 -0.000 0.000 0.276 300 V C 0.042 176.001 176.094 -0.224 0.000 1.040 300 V CA -0.248 61.980 62.300 -0.121 0.000 1.008 300 V CB 0.359 32.171 31.823 -0.019 0.000 0.990 300 V HN 0.146 nan 8.190 nan 0.000 0.477 301 H N 5.056 124.170 119.070 0.073 0.000 2.597 301 H HA 0.323 4.879 4.556 0.000 0.000 0.303 301 H C -0.271 175.043 175.328 -0.024 0.000 1.057 301 H CA -0.736 55.331 56.048 0.032 0.000 1.261 301 H CB 1.775 31.620 29.762 0.139 0.000 1.397 301 H HN 0.453 nan 8.280 nan 0.000 0.461 302 L N 5.304 126.512 121.223 -0.026 0.000 2.305 302 L HA 0.176 4.516 4.340 -0.000 0.000 0.281 302 L C -0.312 176.374 176.870 -0.306 0.000 1.085 302 L CA -0.140 54.671 54.840 -0.048 0.000 0.813 302 L CB 0.270 42.375 42.059 0.076 0.000 1.157 302 L HN 0.546 nan 8.230 nan 0.000 0.436 303 H N 5.958 124.942 119.070 -0.142 0.000 2.866 303 H HA 0.117 4.673 4.556 0.000 0.000 0.287 303 H C -1.359 173.838 175.328 -0.218 0.000 1.106 303 H CA -0.398 55.503 56.048 -0.244 0.000 1.396 303 H CB 0.744 30.066 29.762 -0.733 0.000 1.469 303 H HN 0.706 nan 8.280 nan 0.000 0.500 304 W N 4.005 125.219 121.300 -0.144 0.000 2.390 304 W HA 0.081 4.741 4.660 0.000 0.000 0.312 304 W C -0.766 175.769 176.519 0.026 0.000 1.123 304 W CA -0.551 56.703 57.345 -0.152 0.000 1.202 304 W CB 0.912 30.340 29.460 -0.054 0.000 1.251 304 W HN 0.551 nan 8.180 nan 0.000 0.511 305 Y N 2.483 122.403 120.300 -0.632 0.000 2.482 305 Y HA -0.026 4.524 4.550 0.000 0.000 0.270 305 Y C 1.262 176.940 175.900 -0.371 0.000 1.152 305 Y CA 0.121 57.966 58.100 -0.425 0.000 1.292 305 Y CB -0.723 37.532 38.460 -0.341 0.000 1.070 305 Y HN 0.470 nan 8.280 nan 0.000 0.528 306 D N 0.641 120.818 120.400 -0.371 0.000 2.723 306 D HA -0.214 4.426 4.640 -0.000 0.000 0.236 306 D C -0.489 175.787 176.300 -0.039 0.000 1.138 306 D CA 0.637 54.640 54.000 0.005 0.000 0.676 306 D CB -0.945 39.919 40.800 0.107 0.000 1.069 306 D HN 0.356 nan 8.370 nan 0.000 0.430 307 K N 0.145 120.446 120.400 -0.164 0.000 2.221 307 K HA 0.389 4.709 4.320 -0.000 0.000 0.243 307 K C 0.134 176.720 176.600 -0.023 0.000 0.968 307 K CA -0.882 55.358 56.287 -0.078 0.000 0.846 307 K CB 1.288 33.736 32.500 -0.087 0.000 1.141 307 K HN 0.137 nan 8.250 nan 0.000 0.434 308 E N 1.545 121.755 120.200 0.017 0.000 2.344 308 E HA 0.050 4.400 4.350 -0.000 0.000 0.270 308 E C -0.816 175.816 176.600 0.054 0.000 1.021 308 E CA -0.419 56.013 56.400 0.054 0.000 0.887 308 E CB 0.784 30.512 29.700 0.048 0.000 0.997 308 E HN 0.179 nan 8.360 nan 0.000 0.429 309 V N 6.239 126.213 119.914 0.100 0.000 2.479 309 V HA 0.133 4.253 4.120 -0.000 0.000 0.281 309 V C 0.164 176.308 176.094 0.084 0.000 1.031 309 V CA 0.400 62.764 62.300 0.108 0.000 1.038 309 V CB -0.034 31.897 31.823 0.179 0.000 0.981 309 V HN 0.662 nan 8.190 nan 0.000 0.478 310 R N 4.599 125.142 120.500 0.071 0.000 2.799 310 R HA 0.661 5.001 4.340 -0.000 0.000 0.270 310 R C -3.148 173.190 176.300 0.064 0.000 1.010 310 R CA -2.248 53.890 56.100 0.062 0.000 0.916 310 R CB 0.623 30.954 30.300 0.051 0.000 1.228 310 R HN 0.268 nan 8.270 nan 0.000 0.469 311 P HA 0.049 nan 4.420 nan 0.000 0.266 311 P C 0.587 177.913 177.300 0.044 0.000 1.195 311 P CA 1.206 64.336 63.100 0.050 0.000 0.768 311 P CB 0.661 32.384 31.700 0.038 0.000 0.838 312 G N 1.791 110.614 108.800 0.039 0.000 2.220 312 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.269 312 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.269 312 G C 0.438 175.372 174.900 0.056 0.000 0.977 312 G CA -0.040 45.080 45.100 0.033 0.000 0.634 312 G HN 0.595 nan 8.290 nan 0.000 0.539 313 R N 0.873 121.411 120.500 0.063 0.000 2.340 313 R HA 0.419 4.759 4.340 -0.000 0.000 0.300 313 R C 0.346 176.690 176.300 0.074 0.000 1.069 313 R CA -0.408 55.734 56.100 0.069 0.000 0.984 313 R CB 0.397 30.728 30.300 0.053 0.000 1.003 313 R HN 0.229 nan 8.270 nan 0.000 0.459 314 K N 2.669 123.128 120.400 0.098 0.000 2.383 314 K HA 0.026 4.346 4.320 -0.000 0.000 0.286 314 K C 0.948 177.629 176.600 0.135 0.000 1.051 314 K CA -0.184 56.190 56.287 0.146 0.000 0.974 314 K CB 0.951 33.588 32.500 0.228 0.000 0.968 314 K HN 0.451 nan 8.250 nan 0.000 0.475 315 V N -0.364 119.521 119.914 -0.048 0.000 3.621 315 V HA 0.389 4.509 4.120 -0.000 0.000 0.263 315 V C 0.674 176.157 176.094 -1.019 0.000 1.272 315 V CA 0.594 62.649 62.300 -0.408 0.000 1.080 315 V CB 0.219 31.772 31.823 -0.450 0.000 0.816 315 V HN 0.842 nan 8.190 nan 0.000 0.451 316 G N 0.025 108.212 108.800 -1.021 0.000 2.325 316 G HA2 0.508 4.468 3.960 -0.000 0.000 0.295 316 G HA3 0.508 4.468 3.960 -0.000 0.000 0.295 316 G C -1.418 173.168 174.900 -0.524 0.000 1.274 316 G CA -0.126 44.066 45.100 -1.513 0.000 0.857 316 G HN 1.118 nan 8.290 nan 0.000 0.499 317 H N -1.615 117.305 119.070 -0.250 0.000 3.042 317 H HA 0.678 5.234 4.556 0.000 0.000 0.346 317 H C -1.917 173.464 175.328 0.088 0.000 1.294 317 H CA -0.958 55.098 56.048 0.013 0.000 1.141 317 H CB 1.399 31.271 29.762 0.183 0.000 1.872 317 H HN 0.574 nan 8.280 nan 0.000 0.541 318 L N 2.228 123.547 121.223 0.159 0.000 2.341 318 L HA 0.392 4.732 4.340 -0.000 0.000 0.278 318 L C -0.525 176.522 176.870 0.295 0.000 1.005 318 L CA -0.834 54.075 54.840 0.114 0.000 0.818 318 L CB 1.721 43.724 42.059 -0.094 0.000 1.259 318 L HN 0.493 nan 8.230 nan 0.000 0.418 319 N N 3.135 122.068 118.700 0.388 0.000 2.370 319 N HA 0.812 5.552 4.740 -0.000 0.000 0.303 319 N C -1.333 174.375 175.510 0.330 0.000 1.103 319 N CA -0.498 52.790 53.050 0.396 0.000 0.848 319 N CB 2.296 41.066 38.487 0.472 0.000 1.235 319 N HN 0.202 nan 8.380 nan 0.000 0.496 320 L N -0.353 121.026 121.223 0.260 0.000 2.482 320 L HA 0.669 5.009 4.340 -0.000 0.000 0.263 320 L C 0.099 177.068 176.870 0.165 0.000 0.957 320 L CA -0.744 54.215 54.840 0.198 0.000 0.836 320 L CB 0.918 43.031 42.059 0.090 0.000 1.324 320 L HN 0.442 nan 8.230 nan 0.000 0.406 321 T N 0.798 115.447 114.554 0.159 0.000 2.923 321 T HA 0.736 5.086 4.350 -0.000 0.000 0.311 321 T C -2.067 172.668 174.700 0.058 0.000 1.183 321 T CA -0.214 61.945 62.100 0.098 0.000 1.020 321 T CB 1.662 70.619 68.868 0.148 0.000 1.165 321 T HN 0.886 nan 8.240 nan 0.000 0.482 322 D N 0.947 121.346 120.400 -0.001 0.000 2.685 322 D HA 0.181 4.821 4.640 -0.000 0.000 0.236 322 D C 0.844 177.124 176.300 -0.033 0.000 1.233 322 D CA -0.136 53.857 54.000 -0.011 0.000 0.760 322 D CB 1.841 42.617 40.800 -0.040 0.000 1.410 322 D HN 0.541 nan 8.370 nan 0.000 0.439 323 S N 1.093 116.785 115.700 -0.012 0.000 2.461 323 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 323 S C 0.560 175.139 174.600 -0.036 0.000 1.005 323 S CA 0.429 58.623 58.200 -0.010 0.000 0.942 323 S CB 0.107 63.312 63.200 0.009 0.000 0.776 323 S HN 0.406 nan 8.310 nan 0.000 0.514 324 D N 2.720 123.086 120.400 -0.057 0.000 2.411 324 D HA 0.218 4.858 4.640 -0.000 0.000 0.225 324 D C 1.381 177.587 176.300 -0.158 0.000 1.156 324 D CA 0.188 54.142 54.000 -0.077 0.000 0.874 324 D CB 1.370 42.139 40.800 -0.053 0.000 1.034 324 D HN 0.300 nan 8.370 nan 0.000 0.502 325 T N 0.193 114.626 114.554 -0.201 0.000 2.897 325 T HA -0.221 4.129 4.350 -0.000 0.000 0.271 325 T C 1.812 176.319 174.700 -0.321 0.000 1.084 325 T CA 1.496 63.346 62.100 -0.416 0.000 1.123 325 T CB -0.255 68.352 68.868 -0.434 0.000 0.865 325 T HN 0.291 nan 8.240 nan 0.000 0.496 326 S N 1.727 117.333 115.700 -0.157 0.000 2.383 326 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 326 S C 2.252 176.789 174.600 -0.105 0.000 1.026 326 S CA 0.198 58.339 58.200 -0.098 0.000 0.981 326 S CB -0.464 62.703 63.200 -0.054 0.000 0.818 326 S HN 0.465 nan 8.310 nan 0.000 0.472 327 R N 0.926 121.357 120.500 -0.115 0.000 2.092 327 R HA 0.134 4.474 4.340 -0.000 0.000 0.231 327 R C 2.360 178.593 176.300 -0.112 0.000 1.119 327 R CA 1.192 57.238 56.100 -0.091 0.000 0.970 327 R CB -0.770 29.483 30.300 -0.078 0.000 0.864 327 R HN 0.477 nan 8.270 nan 0.000 0.440 328 L N 0.295 121.395 121.223 -0.204 0.000 2.027 328 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 328 L C 2.755 179.544 176.870 -0.136 0.000 1.074 328 L CA 1.932 56.637 54.840 -0.225 0.000 0.745 328 L CB -1.181 40.588 42.059 -0.483 0.000 0.898 328 L HN 0.310 nan 8.230 nan 0.000 0.433 329 T N -2.052 112.409 114.554 -0.156 0.000 2.759 329 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 329 T C 1.924 176.626 174.700 0.003 0.000 1.042 329 T CA 1.088 63.181 62.100 -0.011 0.000 1.140 329 T CB -0.421 68.466 68.868 0.032 0.000 0.864 329 T HN 0.326 nan 8.240 nan 0.000 0.455 330 A N 1.447 124.254 122.820 -0.022 0.000 1.930 330 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 330 A C 2.627 180.212 177.584 0.001 0.000 1.175 330 A CA 1.899 53.932 52.037 -0.007 0.000 0.627 330 A CB -1.356 17.635 19.000 -0.016 0.000 0.815 330 A HN 0.539 nan 8.150 nan 0.000 0.443 331 T N 0.525 115.073 114.554 -0.010 0.000 2.777 331 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 331 T C 1.809 176.518 174.700 0.016 0.000 1.040 331 T CA 1.416 63.516 62.100 -0.000 0.000 1.141 331 T CB -0.382 68.479 68.868 -0.011 0.000 0.868 331 T HN 0.363 nan 8.240 nan 0.000 0.444 332 L N 0.665 121.905 121.223 0.027 0.000 2.012 332 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 332 L C 2.774 179.674 176.870 0.049 0.000 1.073 332 L CA 1.536 56.406 54.840 0.050 0.000 0.748 332 L CB -0.476 41.636 42.059 0.088 0.000 0.891 332 L HN 0.243 nan 8.230 nan 0.000 0.431 333 E N 0.384 120.611 120.200 0.045 0.000 2.085 333 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 333 E C 2.072 178.697 176.600 0.041 0.000 0.994 333 E CA 1.539 57.966 56.400 0.045 0.000 0.801 333 E CB -0.120 29.601 29.700 0.036 0.000 0.743 333 E HN 0.396 nan 8.360 nan 0.000 0.453 334 A N 0.092 122.932 122.820 0.035 0.000 2.067 334 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 334 A C 2.177 179.792 177.584 0.052 0.000 1.158 334 A CA 0.936 52.996 52.037 0.038 0.000 0.661 334 A CB -0.486 18.533 19.000 0.032 0.000 0.801 334 A HN 0.355 nan 8.150 nan 0.000 0.452 335 L N -0.558 120.691 121.223 0.044 0.000 2.217 335 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 335 L C 2.257 179.156 176.870 0.048 0.000 1.107 335 L CA 0.554 55.418 54.840 0.040 0.000 0.783 335 L CB -0.387 41.657 42.059 -0.025 0.000 0.919 335 L HN 0.396 nan 8.230 nan 0.000 0.442 336 I N 0.708 121.311 120.570 0.054 0.000 2.118 336 I HA -0.251 3.919 4.170 -0.000 0.000 0.241 336 I C -0.349 175.814 176.117 0.076 0.000 1.070 336 I CA 1.560 62.902 61.300 0.070 0.000 1.327 336 I CB -1.684 36.359 38.000 0.071 0.000 1.034 336 I HN 0.255 nan 8.210 nan 0.000 0.405 337 P HA -0.081 nan 4.420 nan 0.000 0.230 337 P C 1.375 178.723 177.300 0.079 0.000 1.158 337 P CA 1.310 64.449 63.100 0.066 0.000 0.769 337 P CB -0.071 31.659 31.700 0.051 0.000 0.807 338 L N -1.887 119.404 121.223 0.113 0.000 2.628 338 L HA 0.247 4.587 4.340 -0.000 0.000 0.229 338 L C 0.927 177.964 176.870 0.279 0.000 1.137 338 L CA 0.033 54.981 54.840 0.180 0.000 0.909 338 L CB -0.216 42.007 42.059 0.274 0.000 1.137 338 L HN -0.082 nan 8.230 nan 0.000 0.470 339 L N -0.865 120.440 121.223 0.136 0.000 2.333 339 L HA 0.556 4.896 4.340 -0.000 0.000 0.263 339 L C -2.318 174.613 176.870 0.103 0.000 1.014 339 L CA -1.951 52.893 54.840 0.008 0.000 0.820 339 L CB 2.049 43.958 42.059 -0.250 0.000 1.352 339 L HN -0.264 nan 8.230 nan 0.000 0.421 340 P HA 0.097 nan 4.420 nan 0.000 0.271 340 P C -2.138 175.351 177.300 0.315 0.000 1.233 340 P CA -0.882 62.389 63.100 0.285 0.000 0.789 340 P CB 0.132 32.069 31.700 0.395 0.000 0.951 341 P HA -0.194 nan 4.420 nan 0.000 0.216 341 P C 1.245 178.620 177.300 0.124 0.000 1.150 341 P CA 1.371 64.555 63.100 0.140 0.000 0.837 341 P CB -0.293 31.460 31.700 0.089 0.000 0.786 342 E N -0.934 119.317 120.200 0.086 0.000 2.401 342 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 342 E C 1.087 177.624 176.600 -0.104 0.000 1.023 342 E CA 1.217 57.590 56.400 -0.044 0.000 0.859 342 E CB -1.093 28.530 29.700 -0.127 0.000 0.780 342 E HN 0.358 nan 8.360 nan 0.000 0.523 343 Y N 1.021 121.339 120.300 0.029 0.000 2.519 343 Y HA 0.215 4.765 4.550 -0.000 0.000 0.287 343 Y C 2.687 178.605 175.900 0.030 0.000 1.128 343 Y CA 0.590 58.702 58.100 0.020 0.000 1.282 343 Y CB -0.213 38.256 38.460 0.015 0.000 1.027 343 Y HN 0.161 nan 8.280 nan 0.000 0.551 344 A N -0.544 122.378 122.820 0.170 0.000 1.892 344 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 344 A C 2.503 180.152 177.584 0.107 0.000 1.188 344 A CA 2.162 54.274 52.037 0.127 0.000 0.631 344 A CB -1.220 17.839 19.000 0.099 0.000 0.822 344 A HN 0.383 nan 8.150 nan 0.000 0.447 345 S N -0.799 114.945 115.700 0.074 0.000 2.359 345 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 345 S C 2.034 176.697 174.600 0.105 0.000 1.035 345 S CA 1.972 60.212 58.200 0.068 0.000 1.018 345 S CB -0.734 62.474 63.200 0.014 0.000 0.876 345 S HN 0.750 nan 8.310 nan 0.000 0.448 346 G N 0.240 109.082 108.800 0.070 0.000 2.422 346 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.218 346 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.218 346 G C 1.462 176.513 174.900 0.252 0.000 1.140 346 G CA 0.914 46.076 45.100 0.103 0.000 0.775 346 G HN 0.474 nan 8.290 nan 0.000 0.545 347 V N 1.036 121.067 119.914 0.195 0.000 2.358 347 V HA -0.098 4.022 4.120 -0.000 0.000 0.246 347 V C 2.745 178.948 176.094 0.181 0.000 1.047 347 V CA 1.371 63.781 62.300 0.182 0.000 1.035 347 V CB -0.297 31.610 31.823 0.141 0.000 0.658 347 V HN 0.380 nan 8.190 nan 0.000 0.452 348 I N -1.147 119.525 120.570 0.170 0.000 2.315 348 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 348 I C 2.280 178.494 176.117 0.162 0.000 1.117 348 I CA 1.886 63.271 61.300 0.141 0.000 1.404 348 I CB -0.327 37.744 38.000 0.118 0.000 1.071 348 I HN 0.527 nan 8.210 nan 0.000 0.419 349 W N 1.904 123.208 121.300 0.006 0.000 2.358 349 W HA -0.223 4.437 4.660 -0.000 0.000 0.303 349 W C 2.527 179.017 176.519 -0.048 0.000 1.208 349 W CA 1.822 59.157 57.345 -0.018 0.000 1.274 349 W CB -0.170 29.282 29.460 -0.014 0.000 1.138 349 W HN 0.078 nan 8.180 nan 0.000 0.515 350 A N 0.447 123.376 122.820 0.182 0.000 1.883 350 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 350 A C 1.916 179.366 177.584 -0.222 0.000 1.186 350 A CA 2.068 54.027 52.037 -0.129 0.000 0.624 350 A CB -1.074 18.012 19.000 0.144 0.000 0.822 350 A HN 0.553 nan 8.150 nan 0.000 0.444 351 Q N -0.016 119.794 119.800 0.018 0.000 2.112 351 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 351 Q C 2.428 178.419 176.000 -0.015 0.000 0.987 351 Q CA 2.089 57.963 55.803 0.118 0.000 0.858 351 Q CB -0.343 28.458 28.738 0.105 0.000 0.905 351 Q HN 0.866 nan 8.270 nan 0.000 0.420 352 S N 0.213 115.828 115.700 -0.140 0.000 2.447 352 S HA -0.069 4.401 4.470 -0.000 0.000 0.233 352 S C 1.656 176.061 174.600 -0.326 0.000 1.006 352 S CA 0.578 58.670 58.200 -0.181 0.000 0.957 352 S CB 0.031 63.136 63.200 -0.158 0.000 0.773 352 S HN 0.110 nan 8.310 nan 0.000 0.507 353 K N 0.723 120.773 120.400 -0.583 0.000 2.283 353 K HA 0.107 4.427 4.320 -0.000 0.000 0.202 353 K C 0.517 176.828 176.600 -0.483 0.000 1.048 353 K CA 0.726 56.608 56.287 -0.676 0.000 0.948 353 K CB -0.515 31.395 32.500 -0.984 0.000 0.742 353 K HN 0.583 nan 8.250 nan 0.000 0.458 354 F N -0.149 119.788 119.950 -0.021 0.000 2.641 354 F HA 0.261 4.788 4.527 -0.000 0.000 0.302 354 F C 1.420 177.211 175.800 -0.016 0.000 1.098 354 F CA -0.643 57.381 58.000 0.040 0.000 1.318 354 F CB -0.200 38.811 39.000 0.019 0.000 1.035 354 F HN -0.172 nan 8.300 nan 0.000 0.551 355 G N 0.000 108.827 108.800 0.045 0.000 5.446 355 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 355 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 355 G CA 0.000 45.114 45.100 0.024 0.000 0.502 355 G HN 0.000 nan 8.290 nan 0.000 0.925