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 2oor_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT VDXXXXXXXX XXXXXXXXXG EEFRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPALT G 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 0.000 176.344 176.300 0.073 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.497 32.600 -0.172 0.000 1.302 2 K N 1.689 122.178 120.400 0.148 0.000 4.132 2 K HA -0.021 4.300 4.320 0.003 0.000 0.335 2 K C -1.397 175.279 176.600 0.128 0.000 1.113 2 K CA 0.404 56.754 56.287 0.105 0.000 0.999 2 K CB -0.861 31.673 32.500 0.056 0.000 1.483 2 K HN 0.859 nan 8.250 nan 0.000 0.434 3 I N 0.329 120.933 120.570 0.056 0.000 2.433 3 I HA 0.580 4.752 4.170 0.003 0.000 0.292 3 I C -0.362 175.658 176.117 -0.161 0.000 1.001 3 I CA -0.488 60.712 61.300 -0.166 0.000 1.119 3 I CB 1.472 39.106 38.000 -0.610 0.000 1.289 3 I HN 0.440 nan 8.210 nan 0.000 0.438 4 A N 7.536 130.284 122.820 -0.120 0.000 2.365 4 A HA 0.846 5.168 4.320 0.003 0.000 0.318 4 A C -1.256 176.318 177.584 -0.016 0.000 1.091 4 A CA -0.483 51.522 52.037 -0.054 0.000 0.763 4 A CB 1.188 20.184 19.000 -0.008 0.000 1.248 4 A HN 0.600 nan 8.150 nan 0.000 0.442 5 I N 3.549 124.126 120.570 0.012 0.000 2.476 5 I HA 0.408 4.579 4.170 0.003 0.000 0.281 5 I C -2.316 173.830 176.117 0.049 0.000 1.040 5 I CA -1.476 59.866 61.300 0.069 0.000 1.094 5 I CB 2.233 40.291 38.000 0.096 0.000 1.219 5 I HN 0.453 nan 8.210 nan 0.000 0.450 6 P HA 0.277 nan 4.420 nan 0.000 0.284 6 P C -0.815 176.498 177.300 0.021 0.000 1.292 6 P CA -0.899 62.219 63.100 0.030 0.000 0.800 6 P CB 1.069 32.786 31.700 0.029 0.000 1.188 7 K N 0.476 120.882 120.400 0.010 0.000 2.295 7 K HA 0.071 4.393 4.320 0.003 0.000 0.270 7 K C 0.140 176.735 176.600 -0.008 0.000 1.011 7 K CA -0.183 56.104 56.287 -0.001 0.000 0.953 7 K CB 0.231 32.729 32.500 -0.003 0.000 0.956 7 K HN 0.305 nan 8.250 nan 0.000 0.477 8 E N 3.654 123.841 120.200 -0.022 0.000 2.257 8 E HA 0.037 4.389 4.350 0.003 0.000 0.278 8 E C 0.307 176.892 176.600 -0.026 0.000 1.049 8 E CA 0.087 56.468 56.400 -0.032 0.000 0.876 8 E CB 1.108 30.774 29.700 -0.056 0.000 1.035 8 E HN 0.530 nan 8.360 nan 0.000 0.419 9 R N 2.136 122.623 120.500 -0.022 0.000 2.308 9 R HA 0.124 4.466 4.340 0.003 0.000 0.202 9 R C 0.373 176.661 176.300 -0.020 0.000 0.898 9 R CA -0.104 55.986 56.100 -0.017 0.000 1.046 9 R CB 0.510 30.803 30.300 -0.011 0.000 1.026 9 R HN 0.254 nan 8.270 nan 0.000 0.512 10 R N 2.098 122.582 120.500 -0.027 0.000 2.590 10 R HA 0.117 4.459 4.340 0.003 0.000 0.274 10 R C -2.287 173.997 176.300 -0.026 0.000 1.061 10 R CA -1.594 54.489 56.100 -0.028 0.000 1.081 10 R CB -0.111 30.167 30.300 -0.036 0.000 0.984 10 R HN -0.126 nan 8.270 nan 0.000 0.448 11 P HA -0.014 nan 4.420 nan 0.000 0.264 11 P C 0.524 177.812 177.300 -0.020 0.000 1.193 11 P CA 0.758 63.848 63.100 -0.018 0.000 0.763 11 P CB 0.656 32.348 31.700 -0.013 0.000 0.810 12 G N 1.851 110.638 108.800 -0.021 0.000 2.184 12 G HA2 -0.272 3.690 3.960 0.003 0.000 0.264 12 G HA3 -0.272 3.690 3.960 0.003 0.000 0.264 12 G C 0.216 175.097 174.900 -0.032 0.000 0.975 12 G CA 0.021 45.106 45.100 -0.024 0.000 0.642 12 G HN 0.613 nan 8.290 nan 0.000 0.536 13 E N 1.192 121.370 120.200 -0.037 0.000 2.052 13 E HA 0.488 4.840 4.350 0.003 0.000 0.283 13 E C 0.560 177.130 176.600 -0.051 0.000 1.071 13 E CA -0.397 55.973 56.400 -0.050 0.000 0.851 13 E CB 0.388 30.053 29.700 -0.059 0.000 1.066 13 E HN 0.182 nan 8.360 nan 0.000 0.396 14 D N 3.709 124.078 120.400 -0.053 0.000 2.369 14 D HA 0.076 4.718 4.640 0.003 0.000 0.211 14 D C 0.043 176.309 176.300 -0.058 0.000 1.077 14 D CA 0.066 54.037 54.000 -0.048 0.000 0.842 14 D CB 0.331 41.106 40.800 -0.042 0.000 0.947 14 D HN 0.326 nan 8.370 nan 0.000 0.509 15 R N 0.202 120.651 120.500 -0.084 0.000 2.637 15 R HA 0.498 4.840 4.340 0.003 0.000 0.269 15 R C -0.278 175.953 176.300 -0.115 0.000 1.089 15 R CA -0.336 55.697 56.100 -0.111 0.000 1.177 15 R CB 1.704 31.895 30.300 -0.182 0.000 1.091 15 R HN -0.157 nan 8.270 nan 0.000 0.540 16 V N -0.120 119.732 119.914 -0.105 0.000 3.049 16 V HA 0.532 4.654 4.120 0.003 0.000 0.309 16 V C -0.919 175.145 176.094 -0.050 0.000 1.148 16 V CA -0.517 61.744 62.300 -0.064 0.000 0.990 16 V CB 2.162 33.978 31.823 -0.011 0.000 1.039 16 V HN 0.872 nan 8.190 nan 0.000 0.430 17 A N 5.413 128.246 122.820 0.022 0.000 3.163 17 A HA 0.708 5.029 4.320 0.003 0.000 0.283 17 A C -0.324 177.434 177.584 0.290 0.000 1.412 17 A CA 0.095 52.226 52.037 0.157 0.000 1.053 17 A CB -0.764 18.363 19.000 0.212 0.000 1.082 17 A HN 0.895 nan 8.150 nan 0.000 0.639 18 I N -0.820 119.870 120.570 0.200 0.000 2.984 18 I HA 0.527 4.699 4.170 0.003 0.000 0.303 18 I C -0.561 175.634 176.117 0.129 0.000 1.381 18 I CA 0.130 61.555 61.300 0.208 0.000 0.988 18 I CB 2.320 40.413 38.000 0.155 0.000 1.307 18 I HN 0.197 nan 8.210 nan 0.000 0.460 19 S N 4.134 119.906 115.700 0.119 0.000 2.618 19 S HA 0.692 5.163 4.470 0.003 0.000 0.277 19 S C -2.662 171.975 174.600 0.062 0.000 1.138 19 S CA -1.197 57.048 58.200 0.076 0.000 0.844 19 S CB 1.955 65.196 63.200 0.069 0.000 1.127 19 S HN 0.384 nan 8.310 nan 0.000 0.474 20 P HA -0.097 nan 4.420 nan 0.000 0.216 20 P C 1.371 178.692 177.300 0.036 0.000 1.150 20 P CA 1.266 64.385 63.100 0.033 0.000 0.837 20 P CB 0.083 31.797 31.700 0.024 0.000 0.786 21 E N -0.272 119.952 120.200 0.039 0.000 2.058 21 E HA -0.157 4.194 4.350 0.003 0.000 0.194 21 E C 1.709 178.341 176.600 0.052 0.000 0.997 21 E CA 1.325 57.749 56.400 0.039 0.000 0.801 21 E CB -0.278 29.444 29.700 0.036 0.000 0.746 21 E HN -0.016 nan 8.360 nan 0.000 0.450 22 V N 0.365 120.324 119.914 0.074 0.000 2.667 22 V HA -0.173 3.948 4.120 0.003 0.000 0.252 22 V C 2.337 178.473 176.094 0.070 0.000 1.065 22 V CA 0.918 63.281 62.300 0.105 0.000 1.083 22 V CB 0.105 32.040 31.823 0.186 0.000 0.692 22 V HN 0.181 nan 8.190 nan 0.000 0.468 23 V N 0.144 120.086 119.914 0.047 0.000 2.287 23 V HA -0.318 3.804 4.120 0.003 0.000 0.248 23 V C 2.455 178.561 176.094 0.019 0.000 1.053 23 V CA 2.211 64.519 62.300 0.013 0.000 1.027 23 V CB -0.702 31.129 31.823 0.013 0.000 0.646 23 V HN 0.531 nan 8.190 nan 0.000 0.447 24 K N -0.191 120.225 120.400 0.028 0.000 2.074 24 K HA -0.204 4.118 4.320 0.003 0.000 0.209 24 K C 2.286 178.908 176.600 0.037 0.000 1.048 24 K CA 1.380 57.684 56.287 0.029 0.000 0.926 24 K CB -0.228 32.288 32.500 0.027 0.000 0.713 24 K HN 0.286 nan 8.250 nan 0.000 0.444 25 K N 0.874 121.301 120.400 0.044 0.000 2.057 25 K HA -0.077 4.245 4.320 0.003 0.000 0.206 25 K C 2.170 178.813 176.600 0.072 0.000 1.050 25 K CA 1.126 57.446 56.287 0.056 0.000 0.935 25 K CB -0.320 32.219 32.500 0.065 0.000 0.715 25 K HN 0.176 nan 8.250 nan 0.000 0.439 26 L N 1.083 122.334 121.223 0.046 0.000 2.046 26 L HA -0.158 4.184 4.340 0.003 0.000 0.208 26 L C 2.447 179.425 176.870 0.180 0.000 1.077 26 L CA 0.964 55.834 54.840 0.050 0.000 0.747 26 L CB -0.700 41.251 42.059 -0.180 0.000 0.896 26 L HN -0.010 nan 8.230 nan 0.000 0.432 27 V N -2.727 117.247 119.914 0.100 0.000 2.515 27 V HA -0.047 4.075 4.120 0.003 0.000 0.250 27 V C 2.297 178.433 176.094 0.070 0.000 1.058 27 V CA 1.725 64.079 62.300 0.090 0.000 1.064 27 V CB -1.534 30.318 31.823 0.047 0.000 0.675 27 V HN 0.367 nan 8.190 nan 0.000 0.461 28 G N 0.491 109.330 108.800 0.064 0.000 2.432 28 G HA2 -0.137 3.825 3.960 0.003 0.000 0.219 28 G HA3 -0.137 3.825 3.960 0.003 0.000 0.219 28 G C 1.440 176.371 174.900 0.052 0.000 1.135 28 G CA 0.989 46.118 45.100 0.047 0.000 0.767 28 G HN 0.446 nan 8.290 nan 0.000 0.550 29 L N 0.487 121.774 121.223 0.107 0.000 2.465 29 L HA 0.169 4.511 4.340 0.003 0.000 0.224 29 L C 2.032 178.886 176.870 -0.028 0.000 1.145 29 L CA 1.544 56.448 54.840 0.107 0.000 0.834 29 L CB -1.080 41.150 42.059 0.286 0.000 0.944 29 L HN 0.493 nan 8.230 nan 0.000 0.451 30 G N -1.181 107.602 108.800 -0.028 0.000 2.145 30 G HA2 -0.242 3.720 3.960 0.003 0.000 0.176 30 G HA3 -0.242 3.720 3.960 0.003 0.000 0.176 30 G C -0.094 174.663 174.900 -0.239 0.000 1.013 30 G CA -0.581 44.434 45.100 -0.142 0.000 0.689 30 G HN 0.154 nan 8.290 nan 0.000 0.506 31 F N 1.264 121.184 119.950 -0.049 0.000 2.404 31 F HA 0.503 5.032 4.527 0.003 0.000 0.339 31 F C 0.929 176.693 175.800 -0.060 0.000 1.105 31 F CA -0.671 57.288 58.000 -0.068 0.000 1.087 31 F CB 1.123 40.057 39.000 -0.110 0.000 1.143 31 F HN 0.070 nan 8.300 nan 0.000 0.491 32 E N 2.361 122.635 120.200 0.124 0.000 2.180 32 E HA 0.272 4.624 4.350 0.003 0.000 0.283 32 E C -0.962 175.679 176.600 0.069 0.000 1.061 32 E CA -0.389 56.053 56.400 0.070 0.000 0.861 32 E CB 1.097 30.819 29.700 0.036 0.000 1.056 32 E HN 0.236 nan 8.360 nan 0.000 0.407 33 V N 5.944 125.872 119.914 0.024 0.000 2.383 33 V HA 0.292 4.414 4.120 0.003 0.000 0.275 33 V C 0.127 176.205 176.094 -0.028 0.000 1.036 33 V CA -0.374 61.903 62.300 -0.038 0.000 0.889 33 V CB 0.511 32.297 31.823 -0.062 0.000 0.985 33 V HN 0.557 nan 8.190 nan 0.000 0.459 34 I N 5.253 125.801 120.570 -0.037 0.000 2.493 34 I HA 0.705 4.876 4.170 0.003 0.000 0.298 34 I C -0.512 175.593 176.117 -0.020 0.000 0.998 34 I CA -0.789 60.499 61.300 -0.019 0.000 1.137 34 I CB 2.114 40.108 38.000 -0.009 0.000 1.310 34 I HN 0.434 nan 8.210 nan 0.000 0.445 35 V N 5.436 125.346 119.914 -0.006 0.000 2.932 35 V HA 0.388 4.510 4.120 0.003 0.000 0.307 35 V C -0.749 175.349 176.094 0.007 0.000 1.147 35 V CA -0.421 61.881 62.300 0.003 0.000 0.951 35 V CB 2.118 33.946 31.823 0.008 0.000 1.031 35 V HN 0.872 nan 8.190 nan 0.000 0.426 36 E N 3.871 124.077 120.200 0.010 0.000 2.373 36 E HA 0.268 4.620 4.350 0.003 0.000 0.267 36 E C -0.058 176.546 176.600 0.007 0.000 1.032 36 E CA -0.428 55.977 56.400 0.008 0.000 0.889 36 E CB 0.891 30.597 29.700 0.010 0.000 0.984 36 E HN 0.829 nan 8.360 nan 0.000 0.425 37 Q N 2.581 122.384 119.800 0.005 0.000 2.337 37 Q HA 0.216 4.558 4.340 0.003 0.000 0.270 37 Q C 0.672 176.673 176.000 0.002 0.000 1.002 37 Q CA 0.255 56.060 55.803 0.004 0.000 0.888 37 Q CB 0.784 29.524 28.738 0.003 0.000 1.222 37 Q HN 0.808 nan 8.270 nan 0.000 0.400 38 G N 1.754 110.555 108.800 0.002 0.000 2.179 38 G HA2 -0.368 3.594 3.960 0.003 0.000 0.260 38 G HA3 -0.368 3.594 3.960 0.003 0.000 0.260 38 G C 0.753 175.652 174.900 -0.002 0.000 0.977 38 G CA 0.404 45.504 45.100 -0.000 0.000 0.641 38 G HN 1.078 nan 8.290 nan 0.000 0.533 39 A N 0.114 122.935 122.820 0.001 0.000 1.930 39 A HA 0.419 4.741 4.320 0.003 0.000 0.217 39 A C 2.494 180.076 177.584 -0.002 0.000 1.175 39 A CA 2.206 54.244 52.037 0.001 0.000 0.627 39 A CB -0.528 18.477 19.000 0.009 0.000 0.815 39 A HN 1.577 nan 8.150 nan 0.000 0.443 40 G N -1.081 107.720 108.800 0.002 0.000 3.233 40 G HA2 0.281 4.243 3.960 0.003 0.000 0.227 40 G HA3 0.281 4.243 3.960 0.003 0.000 0.227 40 G C 1.049 175.946 174.900 -0.004 0.000 1.175 40 G CA 0.644 45.745 45.100 0.001 0.000 0.781 40 G HN 0.218 nan 8.290 nan 0.000 0.542 41 V N 1.383 121.293 119.914 -0.006 0.000 2.343 41 V HA -0.093 4.029 4.120 0.003 0.000 0.247 41 V C 3.035 179.122 176.094 -0.012 0.000 1.051 41 V CA 2.239 64.535 62.300 -0.007 0.000 1.036 41 V CB -0.691 31.128 31.823 -0.007 0.000 0.654 41 V HN 0.401 nan 8.190 nan 0.000 0.451 42 G N -0.593 108.197 108.800 -0.016 0.000 2.443 42 G HA2 -0.096 3.865 3.960 0.003 0.000 0.219 42 G HA3 -0.096 3.865 3.960 0.003 0.000 0.219 42 G C 1.403 176.289 174.900 -0.022 0.000 1.131 42 G CA 0.802 45.889 45.100 -0.022 0.000 0.775 42 G HN 0.634 nan 8.290 nan 0.000 0.547 43 A N -0.177 122.632 122.820 -0.018 0.000 2.307 43 A HA 0.497 4.819 4.320 0.003 0.000 0.218 43 A C 1.507 179.087 177.584 -0.008 0.000 1.228 43 A CA 0.986 53.014 52.037 -0.014 0.000 0.857 43 A CB -0.176 18.816 19.000 -0.013 0.000 0.897 43 A HN 0.670 nan 8.150 nan 0.000 0.495 44 S N -1.268 114.428 115.700 -0.008 0.000 3.641 44 S HA -0.165 4.307 4.470 0.003 0.000 0.346 44 S C -0.045 174.555 174.600 -0.000 0.000 1.074 44 S CA 1.101 59.298 58.200 -0.004 0.000 1.026 44 S CB -2.082 61.115 63.200 -0.005 0.000 0.908 44 S HN 0.602 nan 8.310 nan 0.000 0.479 45 I N 2.268 122.840 120.570 0.002 0.000 2.359 45 I HA 0.270 4.442 4.170 0.003 0.000 0.284 45 I C 0.940 177.060 176.117 0.006 0.000 1.018 45 I CA -0.404 60.900 61.300 0.007 0.000 1.173 45 I CB 1.478 39.486 38.000 0.012 0.000 1.326 45 I HN 0.288 nan 8.210 nan 0.000 0.462 46 T N 0.020 114.577 114.554 0.005 0.000 2.849 46 T HA 0.160 4.512 4.350 0.003 0.000 0.284 46 T C 0.810 175.514 174.700 0.006 0.000 1.004 46 T CA -0.623 61.480 62.100 0.004 0.000 1.021 46 T CB 1.325 70.195 68.868 0.003 0.000 1.013 46 T HN 0.413 nan 8.240 nan 0.000 0.527 47 D N 0.448 120.851 120.400 0.005 0.000 2.144 47 D HA -0.082 4.560 4.640 0.003 0.000 0.199 47 D C 1.621 177.924 176.300 0.006 0.000 0.984 47 D CA 1.052 55.055 54.000 0.005 0.000 0.834 47 D CB -0.222 40.580 40.800 0.004 0.000 0.955 47 D HN 0.591 nan 8.370 nan 0.000 0.465 48 D N 0.559 120.962 120.400 0.005 0.000 2.144 48 D HA -0.081 4.560 4.640 0.003 0.000 0.199 48 D C 2.038 178.341 176.300 0.006 0.000 0.984 48 D CA 1.073 55.076 54.000 0.005 0.000 0.834 48 D CB -0.226 40.576 40.800 0.004 0.000 0.955 48 D HN 0.137 nan 8.370 nan 0.000 0.465 49 A N 0.890 123.714 122.820 0.007 0.000 1.902 49 A HA -0.143 4.178 4.320 0.003 0.000 0.217 49 A C 2.066 179.656 177.584 0.011 0.000 1.181 49 A CA 0.936 52.978 52.037 0.009 0.000 0.623 49 A CB -0.499 18.507 19.000 0.009 0.000 0.818 49 A HN 0.119 nan 8.150 nan 0.000 0.443 50 L N -0.060 121.170 121.223 0.012 0.000 2.056 50 L HA -0.100 4.242 4.340 0.003 0.000 0.207 50 L C 2.669 179.545 176.870 0.009 0.000 1.078 50 L CA 2.327 57.175 54.840 0.013 0.000 0.749 50 L CB -1.953 40.113 42.059 0.013 0.000 0.901 50 L HN 0.373 nan 8.230 nan 0.000 0.433 51 T N 0.038 114.597 114.554 0.008 0.000 2.746 51 T HA -0.144 4.208 4.350 0.003 0.000 0.267 51 T C 1.981 176.685 174.700 0.007 0.000 1.039 51 T CA 1.322 63.425 62.100 0.006 0.000 1.142 51 T CB -0.275 68.596 68.868 0.005 0.000 0.866 51 T HN 0.392 nan 8.240 nan 0.000 0.444 52 A N 1.376 124.200 122.820 0.007 0.000 1.972 52 A HA 0.172 4.494 4.320 0.003 0.000 0.219 52 A C 2.520 180.110 177.584 0.009 0.000 1.169 52 A CA 1.677 53.718 52.037 0.008 0.000 0.635 52 A CB -0.872 18.132 19.000 0.007 0.000 0.810 52 A HN 0.515 nan 8.150 nan 0.000 0.446 53 A N -2.165 120.662 122.820 0.011 0.000 2.167 53 A HA 0.393 4.714 4.320 0.003 0.000 0.214 53 A C 1.729 179.320 177.584 0.013 0.000 1.151 53 A CA 1.469 53.514 52.037 0.013 0.000 0.735 53 A CB -0.571 18.439 19.000 0.017 0.000 0.802 53 A HN 1.796 nan 8.150 nan 0.000 0.467 54 G N -2.884 105.923 108.800 0.010 0.000 2.198 54 G HA2 0.255 4.217 3.960 0.003 0.000 0.156 54 G HA3 0.255 4.217 3.960 0.003 0.000 0.156 54 G C 0.243 175.148 174.900 0.008 0.000 1.012 54 G CA 0.038 45.144 45.100 0.010 0.000 0.692 54 G HN 1.346 nan 8.290 nan 0.000 0.492 55 A N 0.232 123.055 122.820 0.005 0.000 2.302 55 A HA 0.815 5.137 4.320 0.003 0.000 0.285 55 A C 0.529 178.115 177.584 0.002 0.000 1.105 55 A CA 0.560 52.598 52.037 0.001 0.000 0.816 55 A CB 0.671 19.670 19.000 -0.002 0.000 1.067 55 A HN 0.648 nan 8.150 nan 0.000 0.489 56 T N 2.580 117.134 114.554 0.001 0.000 2.845 56 T HA 0.450 4.802 4.350 0.003 0.000 0.288 56 T C -0.036 174.665 174.700 0.001 0.000 0.980 56 T CA -0.158 61.943 62.100 0.002 0.000 1.071 56 T CB 0.517 69.387 68.868 0.003 0.000 0.941 56 T HN 0.356 nan 8.240 nan 0.000 0.487 57 I N 2.878 123.450 120.570 0.003 0.000 2.312 57 I HA 0.457 4.629 4.170 0.003 0.000 0.290 57 I C 0.649 176.768 176.117 0.003 0.000 1.008 57 I CA -1.015 60.287 61.300 0.003 0.000 1.226 57 I CB 0.219 38.221 38.000 0.004 0.000 1.371 57 I HN 0.682 nan 8.210 nan 0.000 0.468 58 A N 4.591 127.413 122.820 0.004 0.000 2.304 58 A HA 0.496 4.818 4.320 0.003 0.000 0.301 58 A C 1.128 178.714 177.584 0.004 0.000 1.132 58 A CA -0.058 51.981 52.037 0.004 0.000 0.819 58 A CB 0.753 19.756 19.000 0.005 0.000 1.094 58 A HN 0.802 nan 8.150 nan 0.000 0.492 59 S N 0.750 116.452 115.700 0.004 0.000 2.395 59 S HA 0.028 4.500 4.470 0.003 0.000 0.225 59 S C 0.949 175.552 174.600 0.004 0.000 1.027 59 S CA 1.291 59.493 58.200 0.003 0.000 0.965 59 S CB -0.616 62.585 63.200 0.003 0.000 0.812 59 S HN 1.447 nan 8.310 nan 0.000 0.482 60 T N -2.995 111.561 114.554 0.004 0.000 2.926 60 T HA 0.826 5.178 4.350 0.003 0.000 0.289 60 T C 1.066 175.770 174.700 0.006 0.000 1.054 60 T CA -0.382 61.721 62.100 0.005 0.000 1.015 60 T CB 1.452 70.323 68.868 0.004 0.000 1.167 60 T HN 0.199 nan 8.240 nan 0.000 0.526 61 A N 0.731 123.555 122.820 0.007 0.000 1.933 61 A HA 0.264 4.586 4.320 0.003 0.000 0.218 61 A C 2.532 180.122 177.584 0.011 0.000 1.175 61 A CA 1.844 53.886 52.037 0.009 0.000 0.628 61 A CB -1.486 17.519 19.000 0.009 0.000 0.814 61 A HN 1.283 nan 8.150 nan 0.000 0.444 62 A N -0.645 122.180 122.820 0.009 0.000 1.877 62 A HA -0.207 4.115 4.320 0.003 0.000 0.216 62 A C 2.135 179.725 177.584 0.010 0.000 1.186 62 A CA 1.644 53.687 52.037 0.010 0.000 0.620 62 A CB -0.578 18.427 19.000 0.008 0.000 0.822 62 A HN 0.639 nan 8.150 nan 0.000 0.443 63 Q N -0.666 119.139 119.800 0.008 0.000 2.084 63 Q HA -0.101 4.241 4.340 0.003 0.000 0.202 63 Q C 2.451 178.456 176.000 0.009 0.000 0.978 63 Q CA 1.316 57.124 55.803 0.008 0.000 0.844 63 Q CB -0.412 28.330 28.738 0.006 0.000 0.898 63 Q HN 0.679 nan 8.270 nan 0.000 0.426 64 A N 0.523 123.349 122.820 0.009 0.000 1.908 64 A HA -0.182 4.140 4.320 0.003 0.000 0.218 64 A C 1.819 179.410 177.584 0.012 0.000 1.181 64 A CA 1.423 53.466 52.037 0.009 0.000 0.627 64 A CB -0.309 18.698 19.000 0.010 0.000 0.818 64 A HN 0.256 nan 8.150 nan 0.000 0.445 65 L N 0.295 121.527 121.223 0.016 0.000 2.529 65 L HA 0.029 4.371 4.340 0.003 0.000 0.223 65 L C 2.620 179.502 176.870 0.020 0.000 1.113 65 L CA 1.418 56.271 54.840 0.021 0.000 0.861 65 L CB -0.293 41.781 42.059 0.025 0.000 1.012 65 L HN 0.547 nan 8.230 nan 0.000 0.461 66 S N -0.442 115.268 115.700 0.016 0.000 2.353 66 S HA -0.271 4.201 4.470 0.003 0.000 0.222 66 S C 1.669 176.279 174.600 0.017 0.000 1.035 66 S CA 1.281 59.490 58.200 0.015 0.000 1.025 66 S CB -0.417 62.790 63.200 0.012 0.000 0.902 66 S HN 0.583 nan 8.310 nan 0.000 0.440 67 Q N 0.930 120.741 119.800 0.017 0.000 2.282 67 Q HA 0.506 4.848 4.340 0.003 0.000 0.206 67 Q C 0.205 176.220 176.000 0.025 0.000 0.878 67 Q CA 0.048 55.862 55.803 0.019 0.000 0.944 67 Q CB 0.495 29.242 28.738 0.015 0.000 1.100 67 Q HN 0.675 nan 8.270 nan 0.000 0.509 68 A N 1.129 123.965 122.820 0.027 0.000 2.451 68 A HA 0.043 4.365 4.320 0.003 0.000 0.266 68 A C 0.248 177.861 177.584 0.048 0.000 1.119 68 A CA -0.257 51.800 52.037 0.033 0.000 0.786 68 A CB 0.308 19.322 19.000 0.023 0.000 1.061 68 A HN 0.123 nan 8.150 nan 0.000 0.503 69 D N 1.299 121.738 120.400 0.064 0.000 2.183 69 D HA 0.022 4.664 4.640 0.003 0.000 0.205 69 D C 0.346 176.710 176.300 0.106 0.000 0.962 69 D CA 1.348 55.398 54.000 0.083 0.000 0.849 69 D CB 0.183 41.039 40.800 0.093 0.000 0.978 69 D HN 0.308 nan 8.370 nan 0.000 0.488 70 V N 1.229 121.200 119.914 0.094 0.000 2.628 70 V HA 0.386 4.507 4.120 0.003 0.000 0.306 70 V C 0.036 176.147 176.094 0.028 0.000 1.045 70 V CA -0.770 61.576 62.300 0.077 0.000 0.905 70 V CB 2.703 34.524 31.823 -0.003 0.000 0.997 70 V HN -0.254 nan 8.190 nan 0.000 0.436 71 V N 2.687 122.673 119.914 0.120 0.000 2.531 71 V HA 0.513 4.635 4.120 0.003 0.000 0.301 71 V C -1.299 175.003 176.094 0.347 0.000 1.034 71 V CA -0.574 61.812 62.300 0.143 0.000 0.865 71 V CB 2.029 33.929 31.823 0.128 0.000 0.995 71 V HN 0.835 nan 8.190 nan 0.000 0.424 72 W N 5.002 126.331 121.300 0.049 0.000 2.529 72 W HA 0.791 5.453 4.660 0.003 0.000 0.321 72 W C 0.037 176.598 176.519 0.069 0.000 1.047 72 W CA -1.259 56.130 57.345 0.073 0.000 1.216 72 W CB 1.766 31.262 29.460 0.059 0.000 1.357 72 W HN 0.630 nan 8.180 nan 0.000 0.489 73 K N 0.263 120.827 120.400 0.273 0.000 2.533 73 K HA 0.588 4.910 4.320 0.003 0.000 0.284 73 K C -0.399 176.255 176.600 0.090 0.000 1.025 73 K CA -0.705 55.667 56.287 0.142 0.000 0.900 73 K CB 1.812 34.367 32.500 0.092 0.000 1.519 73 K HN 0.188 nan 8.250 nan 0.000 0.432 74 V N -0.605 119.247 119.914 -0.103 0.000 2.326 74 V HA 0.039 4.161 4.120 0.003 0.000 0.238 74 V C 0.450 176.505 176.094 -0.066 0.000 1.038 74 V CA 0.919 63.004 62.300 -0.359 0.000 1.032 74 V CB -0.190 31.106 31.823 -0.877 0.000 0.675 74 V HN 0.741 nan 8.190 nan 0.000 0.467 75 Q N 1.241 120.994 119.800 -0.079 0.000 2.212 75 Q HA 0.334 4.676 4.340 0.003 0.000 0.238 75 Q C -0.139 175.846 176.000 -0.025 0.000 0.955 75 Q CA -0.721 55.049 55.803 -0.056 0.000 0.906 75 Q CB 1.127 29.813 28.738 -0.086 0.000 1.215 75 Q HN 0.724 nan 8.270 nan 0.000 0.478 76 R N 1.008 121.480 120.500 -0.046 0.000 2.679 76 R HA 0.214 4.556 4.340 0.003 0.000 0.268 76 R C -2.357 173.934 176.300 -0.015 0.000 1.044 76 R CA -1.287 54.800 56.100 -0.022 0.000 1.105 76 R CB -0.496 29.777 30.300 -0.044 0.000 0.989 76 R HN 0.233 nan 8.270 nan 0.000 0.447 77 P HA 0.009 nan 4.420 nan 0.000 0.271 77 P C -0.392 176.904 177.300 -0.007 0.000 1.216 77 P CA 0.042 63.144 63.100 0.003 0.000 0.776 77 P CB 0.676 32.385 31.700 0.015 0.000 0.881 78 M N 1.680 121.276 119.600 -0.008 0.000 2.243 78 M HA 0.174 4.656 4.480 0.003 0.000 0.341 78 M C 1.219 177.516 176.300 -0.006 0.000 1.130 78 M CA 0.413 55.707 55.300 -0.010 0.000 1.162 78 M CB 0.327 32.921 32.600 -0.010 0.000 1.497 78 M HN 0.417 nan 8.290 nan 0.000 0.456 79 T N -0.982 113.568 114.554 -0.007 0.000 2.937 79 T HA 0.615 4.966 4.350 0.003 0.000 0.283 79 T C 0.952 175.649 174.700 -0.004 0.000 1.012 79 T CA -0.522 61.575 62.100 -0.005 0.000 0.997 79 T CB 1.416 70.281 68.868 -0.006 0.000 1.136 79 T HN 0.663 nan 8.240 nan 0.000 0.551 80 A N 0.049 122.868 122.820 -0.003 0.000 2.019 80 A HA -0.035 4.287 4.320 0.003 0.000 0.219 80 A C 2.153 179.735 177.584 -0.003 0.000 1.164 80 A CA 0.970 53.005 52.037 -0.002 0.000 0.644 80 A CB -0.835 18.164 19.000 -0.001 0.000 0.805 80 A HN 0.853 nan 8.150 nan 0.000 0.449 81 E N 0.326 120.523 120.200 -0.004 0.000 2.268 81 E HA -0.144 4.207 4.350 0.003 0.000 0.195 81 E C 1.113 177.709 176.600 -0.006 0.000 0.995 81 E CA 1.017 57.413 56.400 -0.005 0.000 0.836 81 E CB -0.182 29.514 29.700 -0.006 0.000 0.763 81 E HN 0.801 nan 8.360 nan 0.000 0.491 82 E N -0.695 119.501 120.200 -0.007 0.000 2.463 82 E HA 0.171 4.523 4.350 0.003 0.000 0.193 82 E C 1.077 177.673 176.600 -0.007 0.000 1.041 82 E CA 0.332 56.727 56.400 -0.009 0.000 0.879 82 E CB 0.651 30.344 29.700 -0.011 0.000 0.997 82 E HN 0.291 nan 8.360 nan 0.000 0.478 83 G N 1.428 110.225 108.800 -0.005 0.000 2.284 83 G HA2 -0.244 3.718 3.960 0.003 0.000 0.230 83 G HA3 -0.244 3.718 3.960 0.003 0.000 0.230 83 G C 0.588 175.486 174.900 -0.004 0.000 1.021 83 G CA 0.345 45.443 45.100 -0.004 0.000 0.619 83 G HN 0.249 nan 8.290 nan 0.000 0.510 84 T N 1.565 116.116 114.554 -0.004 0.000 2.864 84 T HA 0.481 4.833 4.350 0.003 0.000 0.310 84 T C -1.102 173.597 174.700 -0.002 0.000 1.040 84 T CA -0.253 61.845 62.100 -0.003 0.000 0.977 84 T CB 1.699 70.564 68.868 -0.004 0.000 0.976 84 T HN 0.183 nan 8.240 nan 0.000 0.459 85 D N 2.838 123.238 120.400 -0.000 0.000 2.508 85 D HA 0.098 4.739 4.640 0.003 0.000 0.224 85 D C 1.141 177.443 176.300 0.004 0.000 1.171 85 D CA -0.171 53.830 54.000 0.001 0.000 1.006 85 D CB 0.449 41.250 40.800 0.002 0.000 1.073 85 D HN 0.534 nan 8.370 nan 0.000 0.513 86 E N 0.964 121.167 120.200 0.004 0.000 2.152 86 E HA -0.114 4.237 4.350 0.003 0.000 0.192 86 E C 2.130 178.738 176.600 0.013 0.000 0.983 86 E CA 0.822 57.227 56.400 0.008 0.000 0.818 86 E CB 0.300 30.005 29.700 0.008 0.000 0.758 86 E HN 0.479 nan 8.360 nan 0.000 0.467 87 V N -0.882 119.038 119.914 0.011 0.000 2.594 87 V HA -0.113 4.009 4.120 0.003 0.000 0.253 87 V C 2.285 178.387 176.094 0.014 0.000 1.069 87 V CA 1.555 63.864 62.300 0.014 0.000 1.082 87 V CB -0.752 31.077 31.823 0.010 0.000 0.680 87 V HN 0.164 nan 8.190 nan 0.000 0.469 88 A N 0.620 123.447 122.820 0.011 0.000 1.972 88 A HA -0.063 4.259 4.320 0.003 0.000 0.219 88 A C 2.049 179.640 177.584 0.013 0.000 1.169 88 A CA 2.056 54.099 52.037 0.010 0.000 0.635 88 A CB -0.618 18.386 19.000 0.008 0.000 0.810 88 A HN 0.506 nan 8.150 nan 0.000 0.446 89 L N -0.318 120.914 121.223 0.014 0.000 2.291 89 L HA 0.126 4.467 4.340 0.003 0.000 0.214 89 L C 0.958 177.841 176.870 0.021 0.000 1.120 89 L CA 0.583 55.433 54.840 0.016 0.000 0.799 89 L CB -0.924 41.144 42.059 0.016 0.000 0.925 89 L HN 0.319 nan 8.230 nan 0.000 0.446 90 I N 0.258 120.842 120.570 0.025 0.000 2.588 90 I HA -0.025 4.146 4.170 0.003 0.000 0.283 90 I C 0.984 177.118 176.117 0.028 0.000 1.119 90 I CA -0.033 61.286 61.300 0.032 0.000 1.419 90 I CB 0.379 38.402 38.000 0.038 0.000 1.394 90 I HN 0.045 nan 8.210 nan 0.000 0.562 91 K N 5.802 126.221 120.400 0.032 0.000 2.295 91 K HA 0.114 4.436 4.320 0.003 0.000 0.270 91 K C -0.183 176.435 176.600 0.029 0.000 1.011 91 K CA -0.361 55.943 56.287 0.028 0.000 0.953 91 K CB 0.567 33.085 32.500 0.030 0.000 0.956 91 K HN 0.488 nan 8.250 nan 0.000 0.477 92 E N 1.360 121.574 120.200 0.023 0.000 2.376 92 E HA 0.042 4.394 4.350 0.003 0.000 0.266 92 E C 0.644 177.259 176.600 0.025 0.000 1.009 92 E CA 0.801 57.213 56.400 0.021 0.000 0.902 92 E CB 0.549 30.258 29.700 0.016 0.000 0.972 92 E HN 0.926 nan 8.360 nan 0.000 0.439 93 G N 2.015 110.830 108.800 0.026 0.000 2.176 93 G HA2 -0.321 3.641 3.960 0.003 0.000 0.253 93 G HA3 -0.321 3.641 3.960 0.003 0.000 0.253 93 G C 0.421 175.348 174.900 0.045 0.000 0.979 93 G CA 0.075 45.194 45.100 0.031 0.000 0.641 93 G HN 0.771 nan 8.290 nan 0.000 0.530 94 A N -0.725 122.125 122.820 0.051 0.000 2.280 94 A HA 0.770 5.092 4.320 0.003 0.000 0.268 94 A C 0.455 178.096 177.584 0.094 0.000 1.111 94 A CA 0.408 52.489 52.037 0.073 0.000 0.814 94 A CB 0.966 20.007 19.000 0.069 0.000 1.093 94 A HN 1.151 nan 8.150 nan 0.000 0.498 95 V N 0.588 120.586 119.914 0.139 0.000 2.435 95 V HA 0.445 4.567 4.120 0.003 0.000 0.290 95 V C -0.561 175.665 176.094 0.220 0.000 1.030 95 V CA -0.402 62.021 62.300 0.205 0.000 0.881 95 V CB 1.107 33.111 31.823 0.302 0.000 0.983 95 V HN 0.730 nan 8.190 nan 0.000 0.445 96 L N 6.325 127.676 121.223 0.213 0.000 2.322 96 L HA 0.725 5.067 4.340 0.003 0.000 0.281 96 L C -0.515 176.528 176.870 0.289 0.000 1.014 96 L CA -0.144 54.827 54.840 0.218 0.000 0.815 96 L CB 1.568 43.702 42.059 0.126 0.000 1.247 96 L HN 0.655 nan 8.230 nan 0.000 0.421 97 M N 6.465 126.254 119.600 0.315 0.000 2.197 97 M HA 0.618 5.100 4.480 0.003 0.000 0.301 97 M C -0.940 175.427 176.300 0.111 0.000 0.987 97 M CA -0.521 54.907 55.300 0.214 0.000 0.921 97 M CB 1.625 34.341 32.600 0.193 0.000 1.569 97 M HN 0.862 nan 8.290 nan 0.000 0.431 98 C N -0.755 118.592 119.300 0.077 0.000 3.249 98 C HA 0.400 4.862 4.460 0.003 0.000 0.350 98 C C -0.543 174.547 174.990 0.166 0.000 1.431 98 C CA -1.014 58.094 59.018 0.149 0.000 1.209 98 C CB 1.640 29.470 27.740 0.150 0.000 1.546 98 C HN 1.002 nan 8.230 nan 0.000 0.450 99 H N 1.073 120.235 119.070 0.153 0.000 3.205 99 H HA 0.302 4.860 4.556 0.003 0.000 0.262 99 H C 0.748 176.095 175.328 0.033 0.000 1.333 99 H CA -0.248 55.854 56.048 0.089 0.000 1.499 99 H CB 0.386 30.246 29.762 0.164 0.000 1.609 99 H HN 0.614 nan 8.280 nan 0.000 0.498 100 L N 3.680 124.986 121.223 0.139 0.000 2.240 100 L HA 0.039 4.381 4.340 0.003 0.000 0.211 100 L C 1.598 178.443 176.870 -0.041 0.000 1.106 100 L CA 0.880 55.734 54.840 0.022 0.000 0.793 100 L CB -0.054 42.011 42.059 0.010 0.000 0.927 100 L HN 1.007 nan 8.230 nan 0.000 0.446 101 G N -0.116 108.672 108.800 -0.019 0.000 2.338 101 G HA2 -0.336 3.626 3.960 0.003 0.000 0.296 101 G HA3 -0.336 3.626 3.960 0.003 0.000 0.296 101 G C 0.991 175.868 174.900 -0.039 0.000 1.040 101 G CA 0.495 45.566 45.100 -0.049 0.000 1.004 101 G HN 0.497 nan 8.290 nan 0.000 0.509 102 A N -0.595 122.202 122.820 -0.039 0.000 1.930 102 A HA 0.161 4.483 4.320 0.003 0.000 0.217 102 A C 2.433 179.981 177.584 -0.059 0.000 1.175 102 A CA 1.657 53.658 52.037 -0.061 0.000 0.627 102 A CB -0.191 18.751 19.000 -0.098 0.000 0.815 102 A HN 0.840 nan 8.150 nan 0.000 0.443 103 L N -0.074 121.111 121.223 -0.063 0.000 2.376 103 L HA -0.075 4.267 4.340 0.003 0.000 0.219 103 L C 2.286 179.146 176.870 -0.017 0.000 1.133 103 L CA 1.567 56.383 54.840 -0.039 0.000 0.816 103 L CB -0.634 41.405 42.059 -0.034 0.000 0.933 103 L HN 0.619 nan 8.230 nan 0.000 0.449 104 T N -5.274 109.268 114.554 -0.020 0.000 3.023 104 T HA 0.131 4.483 4.350 0.003 0.000 0.253 104 T C 0.838 175.526 174.700 -0.021 0.000 1.038 104 T CA -0.178 61.912 62.100 -0.017 0.000 0.962 104 T CB 0.090 68.948 68.868 -0.017 0.000 1.018 104 T HN 0.139 nan 8.240 nan 0.000 0.521 105 N N 1.559 120.243 118.700 -0.027 0.000 2.841 105 N HA 0.305 5.047 4.740 0.003 0.000 0.257 105 N C 0.454 175.951 175.510 -0.022 0.000 1.396 105 N CA -0.239 52.794 53.050 -0.027 0.000 0.823 105 N CB 1.682 40.147 38.487 -0.036 0.000 1.162 105 N HN 0.190 nan 8.380 nan 0.000 0.503 106 R N 1.480 121.971 120.500 -0.015 0.000 2.092 106 R HA 0.005 4.347 4.340 0.003 0.000 0.231 106 R C -0.823 175.471 176.300 -0.010 0.000 1.119 106 R CA 1.085 57.179 56.100 -0.011 0.000 0.970 106 R CB -0.380 29.918 30.300 -0.004 0.000 0.864 106 R HN 0.213 nan 8.270 nan 0.000 0.440 107 P HA -0.184 nan 4.420 nan 0.000 0.216 107 P C 1.357 178.651 177.300 -0.010 0.000 1.150 107 P CA 0.983 64.078 63.100 -0.009 0.000 0.843 107 P CB 0.003 31.698 31.700 -0.009 0.000 0.787 108 V N -0.612 119.295 119.914 -0.013 0.000 2.515 108 V HA -0.163 3.959 4.120 0.003 0.000 0.250 108 V C 2.124 178.211 176.094 -0.012 0.000 1.058 108 V CA 1.630 63.922 62.300 -0.012 0.000 1.064 108 V CB -0.753 31.060 31.823 -0.016 0.000 0.675 108 V HN -0.093 nan 8.190 nan 0.000 0.461 109 V N 0.003 119.908 119.914 -0.015 0.000 2.358 109 V HA -0.224 3.898 4.120 0.003 0.000 0.246 109 V C 2.395 178.482 176.094 -0.011 0.000 1.047 109 V CA 2.279 64.570 62.300 -0.016 0.000 1.035 109 V CB -0.704 31.108 31.823 -0.018 0.000 0.658 109 V HN 0.623 nan 8.190 nan 0.000 0.452 110 E N 0.525 120.721 120.200 -0.007 0.000 2.058 110 E HA -0.222 4.130 4.350 0.003 0.000 0.194 110 E C 2.359 178.957 176.600 -0.004 0.000 0.997 110 E CA 1.432 57.829 56.400 -0.004 0.000 0.801 110 E CB -0.374 29.324 29.700 -0.003 0.000 0.746 110 E HN 0.590 nan 8.360 nan 0.000 0.450 111 A N 1.120 123.938 122.820 -0.004 0.000 1.902 111 A HA -0.167 4.155 4.320 0.003 0.000 0.217 111 A C 2.208 179.791 177.584 -0.001 0.000 1.181 111 A CA 1.138 53.174 52.037 -0.002 0.000 0.623 111 A CB -0.666 18.333 19.000 -0.002 0.000 0.818 111 A HN 0.132 nan 8.150 nan 0.000 0.443 112 L N -0.706 120.516 121.223 -0.003 0.000 2.083 112 L HA -0.149 4.192 4.340 0.003 0.000 0.209 112 L C 2.708 179.575 176.870 -0.005 0.000 1.083 112 L CA 1.660 56.498 54.840 -0.002 0.000 0.752 112 L CB -0.757 41.299 42.059 -0.006 0.000 0.899 112 L HN 0.339 nan 8.230 nan 0.000 0.433 113 T N -0.670 113.880 114.554 -0.007 0.000 2.821 113 T HA -0.162 4.190 4.350 0.003 0.000 0.267 113 T C 1.868 176.567 174.700 -0.002 0.000 1.046 113 T CA 1.019 63.115 62.100 -0.007 0.000 1.139 113 T CB -0.073 68.791 68.868 -0.007 0.000 0.871 113 T HN 0.287 nan 8.240 nan 0.000 0.454 114 K N 0.933 121.333 120.400 -0.000 0.000 2.152 114 K HA -0.034 4.288 4.320 0.003 0.000 0.206 114 K C 1.995 178.597 176.600 0.004 0.000 1.048 114 K CA 0.986 57.274 56.287 0.002 0.000 0.933 114 K CB -0.071 32.430 32.500 0.002 0.000 0.721 114 K HN 0.289 nan 8.250 nan 0.000 0.447 115 R N 0.744 121.247 120.500 0.005 0.000 2.388 115 R HA 0.119 4.461 4.340 0.003 0.000 0.247 115 R C -0.213 176.093 176.300 0.009 0.000 0.931 115 R CA -0.016 56.089 56.100 0.008 0.000 1.082 115 R CB 0.190 30.496 30.300 0.010 0.000 1.135 115 R HN 0.083 nan 8.270 nan 0.000 0.525 116 K N 0.720 121.123 120.400 0.005 0.000 3.069 116 K HA -0.186 4.136 4.320 0.003 0.000 0.267 116 K C -0.416 176.187 176.600 0.005 0.000 1.082 116 K CA 0.711 57.000 56.287 0.004 0.000 0.782 116 K CB -1.644 30.860 32.500 0.008 0.000 1.230 116 K HN 0.312 nan 8.250 nan 0.000 0.488 117 I N 1.363 121.935 120.570 0.003 0.000 2.441 117 I HA 0.007 4.179 4.170 0.003 0.000 0.287 117 I C 0.897 177.000 176.117 -0.022 0.000 1.049 117 I CA 0.048 61.352 61.300 0.006 0.000 1.381 117 I CB 1.187 39.196 38.000 0.015 0.000 1.409 117 I HN -0.037 nan 8.210 nan 0.000 0.523 118 T N 6.552 121.090 114.554 -0.027 0.000 2.723 118 T HA 0.467 4.819 4.350 0.003 0.000 0.297 118 T C 0.095 174.677 174.700 -0.198 0.000 0.925 118 T CA -0.481 61.544 62.100 -0.124 0.000 1.030 118 T CB 0.548 69.364 68.868 -0.087 0.000 0.905 118 T HN 0.662 nan 8.240 nan 0.000 0.502 119 A N 3.955 126.615 122.820 -0.266 0.000 2.288 119 A HA 0.667 4.989 4.320 0.003 0.000 0.320 119 A C -1.129 176.250 177.584 -0.342 0.000 1.217 119 A CA -0.672 51.252 52.037 -0.187 0.000 0.840 119 A CB 0.433 19.383 19.000 -0.084 0.000 1.179 119 A HN 0.801 nan 8.150 nan 0.000 0.504 120 Y N 1.666 121.994 120.300 0.047 0.000 2.402 120 Y HA 0.483 5.035 4.550 0.003 0.000 0.332 120 Y C 0.755 176.597 175.900 -0.095 0.000 0.960 120 Y CA -0.473 57.625 58.100 -0.003 0.000 1.228 120 Y CB 1.523 40.017 38.460 0.056 0.000 1.120 120 Y HN 0.776 nan 8.280 nan 0.000 0.491 121 A N 4.910 127.734 122.820 0.007 0.000 2.410 121 A HA 0.226 4.548 4.320 0.003 0.000 0.292 121 A C 1.094 178.608 177.584 -0.115 0.000 1.232 121 A CA -0.398 51.615 52.037 -0.040 0.000 0.893 121 A CB 0.124 19.086 19.000 -0.063 0.000 1.131 121 A HN 0.834 nan 8.150 nan 0.000 0.530 122 M N 1.767 121.268 119.600 -0.165 0.000 2.296 122 M HA -0.111 4.370 4.480 0.003 0.000 0.265 122 M C 2.110 178.247 176.300 -0.272 0.000 1.064 122 M CA 1.354 56.464 55.300 -0.317 0.000 1.109 122 M CB -0.852 31.510 32.600 -0.398 0.000 1.396 122 M HN 0.951 nan 8.290 nan 0.000 0.430 123 E N 0.936 121.020 120.200 -0.193 0.000 2.268 123 E HA -0.149 4.203 4.350 0.003 0.000 0.195 123 E C 1.333 177.864 176.600 -0.115 0.000 0.995 123 E CA 0.956 57.245 56.400 -0.185 0.000 0.836 123 E CB -0.723 28.928 29.700 -0.083 0.000 0.763 123 E HN 0.502 nan 8.360 nan 0.000 0.491 124 L N 1.086 122.249 121.223 -0.100 0.000 2.737 124 L HA 0.260 4.602 4.340 0.003 0.000 0.236 124 L C 0.801 177.643 176.870 -0.048 0.000 1.219 124 L CA -0.628 54.174 54.840 -0.063 0.000 1.021 124 L CB -0.371 41.643 42.059 -0.076 0.000 1.291 124 L HN 0.041 nan 8.230 nan 0.000 0.470 125 M N 2.624 122.168 119.600 -0.093 0.000 2.238 125 M HA 0.222 4.704 4.480 0.003 0.000 0.350 125 M C -2.043 174.242 176.300 -0.025 0.000 1.321 125 M CA -1.724 53.531 55.300 -0.076 0.000 1.097 125 M CB 0.185 32.707 32.600 -0.130 0.000 1.713 125 M HN -0.163 nan 8.290 nan 0.000 0.455 126 P HA 0.109 nan 4.420 nan 0.000 0.271 126 P C -1.180 176.124 177.300 0.006 0.000 1.218 126 P CA 0.015 63.127 63.100 0.021 0.000 0.780 126 P CB 0.327 32.052 31.700 0.041 0.000 0.901 127 R N 3.061 123.563 120.500 0.004 0.000 3.710 127 R HA 0.310 4.652 4.340 0.003 0.000 0.201 127 R C 0.438 176.739 176.300 0.002 0.000 1.641 127 R CA -0.144 55.955 56.100 -0.003 0.000 1.390 127 R CB -0.863 29.435 30.300 -0.004 0.000 1.341 127 R HN 0.554 nan 8.270 nan 0.000 0.728 128 I N -3.111 117.461 120.570 0.003 0.000 2.740 128 I HA 0.366 4.538 4.170 0.003 0.000 0.303 128 I C 0.943 177.060 176.117 -0.000 0.000 1.044 128 I CA -0.930 60.373 61.300 0.005 0.000 1.064 128 I CB 2.298 40.306 38.000 0.012 0.000 1.249 128 I HN -0.041 nan 8.210 nan 0.000 0.433 129 S N 1.734 117.432 115.700 -0.002 0.000 2.387 129 S HA -0.148 4.324 4.470 0.003 0.000 0.230 129 S C 1.787 176.383 174.600 -0.006 0.000 1.035 129 S CA 1.332 59.529 58.200 -0.006 0.000 1.014 129 S CB -0.484 62.713 63.200 -0.006 0.000 0.836 129 S HN 0.656 nan 8.310 nan 0.000 0.466 130 R N 0.884 121.382 120.500 -0.002 0.000 2.096 130 R HA -0.010 4.331 4.340 0.003 0.000 0.235 130 R C 1.796 178.096 176.300 0.001 0.000 1.127 130 R CA 1.312 57.411 56.100 -0.002 0.000 0.968 130 R CB -0.274 30.028 30.300 0.003 0.000 0.861 130 R HN 0.407 nan 8.270 nan 0.000 0.440 131 A N -0.094 122.730 122.820 0.006 0.000 2.379 131 A HA 0.068 4.390 4.320 0.003 0.000 0.236 131 A C 1.465 179.038 177.584 -0.018 0.000 1.272 131 A CA -0.232 51.811 52.037 0.009 0.000 0.886 131 A CB 0.190 19.206 19.000 0.026 0.000 0.962 131 A HN 0.320 nan 8.150 nan 0.000 0.504 132 Q N 0.272 120.059 119.800 -0.022 0.000 2.124 132 Q HA -0.163 4.179 4.340 0.003 0.000 0.202 132 Q C 2.231 178.204 176.000 -0.044 0.000 0.977 132 Q CA 1.818 57.601 55.803 -0.033 0.000 0.850 132 Q CB -0.209 28.513 28.738 -0.026 0.000 0.901 132 Q HN 0.823 nan 8.270 nan 0.000 0.429 133 S N -0.252 115.426 115.700 -0.037 0.000 2.481 133 S HA -0.039 4.433 4.470 0.003 0.000 0.231 133 S C 1.631 176.193 174.600 -0.063 0.000 0.996 133 S CA 0.678 58.852 58.200 -0.043 0.000 0.942 133 S CB -0.057 63.126 63.200 -0.029 0.000 0.768 133 S HN 0.294 nan 8.310 nan 0.000 0.520 134 M N 1.292 120.854 119.600 -0.062 0.000 2.383 134 M HA 0.296 4.778 4.480 0.003 0.000 0.247 134 M C -0.171 176.020 176.300 -0.182 0.000 1.117 134 M CA -0.070 55.175 55.300 -0.093 0.000 0.995 134 M CB 0.123 32.725 32.600 0.003 0.000 1.480 134 M HN 0.066 nan 8.290 nan 0.000 0.485 135 D N 1.892 122.196 120.400 -0.160 0.000 2.428 135 D HA 0.177 4.819 4.640 0.003 0.000 0.221 135 D C 0.955 177.128 176.300 -0.212 0.000 1.123 135 D CA -0.258 53.639 54.000 -0.171 0.000 0.869 135 D CB 0.665 41.401 40.800 -0.108 0.000 1.032 135 D HN 0.422 nan 8.370 nan 0.000 0.506 136 I N 0.612 120.998 120.570 -0.306 0.000 2.546 136 I HA -0.096 4.075 4.170 0.003 0.000 0.255 136 I C 1.279 177.283 176.117 -0.189 0.000 1.163 136 I CA 0.204 61.306 61.300 -0.329 0.000 1.457 136 I CB -0.087 37.576 38.000 -0.562 0.000 1.092 136 I HN 0.197 nan 8.210 nan 0.000 0.434 137 L N 1.231 122.341 121.223 -0.188 0.000 2.017 137 L HA -0.140 4.202 4.340 0.003 0.000 0.208 137 L C 2.773 179.605 176.870 -0.064 0.000 1.073 137 L CA 1.764 56.532 54.840 -0.119 0.000 0.745 137 L CB -1.183 40.811 42.059 -0.108 0.000 0.894 137 L HN 0.269 nan 8.230 nan 0.000 0.432 138 S N -0.842 114.817 115.700 -0.068 0.000 2.355 138 S HA -0.161 4.311 4.470 0.003 0.000 0.222 138 S C 2.138 176.720 174.600 -0.030 0.000 1.031 138 S CA 1.359 59.534 58.200 -0.042 0.000 0.993 138 S CB -0.379 62.793 63.200 -0.046 0.000 0.859 138 S HN 0.660 nan 8.310 nan 0.000 0.453 139 S N 1.464 117.137 115.700 -0.045 0.000 2.382 139 S HA -0.121 4.351 4.470 0.003 0.000 0.228 139 S C 1.785 176.393 174.600 0.012 0.000 1.027 139 S CA 0.812 58.998 58.200 -0.024 0.000 0.991 139 S CB -0.369 62.805 63.200 -0.043 0.000 0.823 139 S HN 0.343 nan 8.310 nan 0.000 0.469 140 Q N 1.165 120.981 119.800 0.027 0.000 2.163 140 Q HA 0.221 4.562 4.340 0.003 0.000 0.198 140 Q C 2.538 178.567 176.000 0.049 0.000 0.954 140 Q CA 1.209 57.048 55.803 0.060 0.000 0.851 140 Q CB -0.874 27.925 28.738 0.102 0.000 0.928 140 Q HN 0.604 nan 8.270 nan 0.000 0.459 141 S N 1.812 117.532 115.700 0.033 0.000 2.382 141 S HA -0.135 4.336 4.470 0.003 0.000 0.228 141 S C 1.705 176.332 174.600 0.045 0.000 1.027 141 S CA 1.082 59.304 58.200 0.037 0.000 0.991 141 S CB -0.275 62.938 63.200 0.022 0.000 0.823 141 S HN 0.443 nan 8.310 nan 0.000 0.469 142 N N 1.363 120.085 118.700 0.036 0.000 2.069 142 N HA -0.098 4.644 4.740 0.003 0.000 0.191 142 N C 1.696 177.251 175.510 0.074 0.000 1.031 142 N CA 1.215 54.291 53.050 0.043 0.000 0.852 142 N CB -0.190 38.308 38.487 0.019 0.000 1.018 142 N HN 0.358 nan 8.380 nan 0.000 0.423 143 L N 0.679 121.943 121.223 0.069 0.000 2.141 143 L HA -0.052 4.290 4.340 0.003 0.000 0.209 143 L C 2.693 179.656 176.870 0.155 0.000 1.094 143 L CA 0.898 55.803 54.840 0.109 0.000 0.763 143 L CB -0.478 41.620 42.059 0.064 0.000 0.908 143 L HN 0.187 nan 8.230 nan 0.000 0.437 144 A N 0.503 123.382 122.820 0.100 0.000 1.972 144 A HA -0.112 4.210 4.320 0.003 0.000 0.219 144 A C 2.394 180.027 177.584 0.081 0.000 1.169 144 A CA 1.696 53.782 52.037 0.082 0.000 0.635 144 A CB -1.050 17.988 19.000 0.064 0.000 0.810 144 A HN 0.438 nan 8.150 nan 0.000 0.446 145 G N -1.570 107.286 108.800 0.093 0.000 2.394 145 G HA2 -0.217 3.745 3.960 0.003 0.000 0.215 145 G HA3 -0.217 3.745 3.960 0.003 0.000 0.215 145 G C 1.520 176.477 174.900 0.095 0.000 1.165 145 G CA 1.160 46.312 45.100 0.086 0.000 0.784 145 G HN 0.614 nan 8.290 nan 0.000 0.535 146 Y N 1.380 121.691 120.300 0.019 0.000 2.097 146 Y HA -0.116 4.436 4.550 0.002 0.000 0.282 146 Y C 2.905 178.808 175.900 0.005 0.000 1.152 146 Y CA 2.077 60.183 58.100 0.010 0.000 1.136 146 Y CB -0.183 38.278 38.460 0.002 0.000 0.975 146 Y HN -0.004 nan 8.280 nan 0.000 0.498 147 R N 0.890 121.321 120.500 -0.116 0.000 2.091 147 R HA -0.184 4.158 4.340 0.003 0.000 0.238 147 R C 2.461 178.667 176.300 -0.157 0.000 1.136 147 R CA 1.332 57.319 56.100 -0.188 0.000 0.959 147 R CB -1.281 29.012 30.300 -0.010 0.000 0.856 147 R HN 0.573 nan 8.270 nan 0.000 0.437 148 A N 0.114 122.899 122.820 -0.058 0.000 1.917 148 A HA -0.167 4.155 4.320 0.003 0.000 0.219 148 A C 2.446 180.017 177.584 -0.022 0.000 1.182 148 A CA 2.038 54.072 52.037 -0.005 0.000 0.633 148 A CB -0.635 18.384 19.000 0.031 0.000 0.819 148 A HN 0.178 nan 8.150 nan 0.000 0.448 149 V N 0.312 120.176 119.914 -0.083 0.000 2.453 149 V HA -0.190 3.932 4.120 0.003 0.000 0.247 149 V C 2.393 178.363 176.094 -0.207 0.000 1.048 149 V CA 1.486 63.737 62.300 -0.082 0.000 1.049 149 V CB -0.605 31.167 31.823 -0.085 0.000 0.672 149 V HN 0.510 nan 8.190 nan 0.000 0.457 150 I N 0.304 120.681 120.570 -0.322 0.000 2.252 150 I HA -0.164 4.008 4.170 0.003 0.000 0.245 150 I C 2.281 178.335 176.117 -0.105 0.000 1.102 150 I CA 1.528 62.654 61.300 -0.290 0.000 1.385 150 I CB -1.228 36.532 38.000 -0.399 0.000 1.064 150 I HN 0.336 nan 8.210 nan 0.000 0.414 151 D N 1.009 121.371 120.400 -0.063 0.000 2.097 151 D HA -0.118 4.524 4.640 0.003 0.000 0.195 151 D C 2.274 178.666 176.300 0.153 0.000 0.989 151 D CA 1.608 55.644 54.000 0.060 0.000 0.827 151 D CB -0.506 40.351 40.800 0.094 0.000 0.966 151 D HN 0.348 nan 8.370 nan 0.000 0.456 152 G N 0.899 109.769 108.800 0.116 0.000 2.446 152 G HA2 -0.220 3.742 3.960 0.003 0.000 0.217 152 G HA3 -0.220 3.742 3.960 0.003 0.000 0.217 152 G C 1.727 176.783 174.900 0.260 0.000 1.168 152 G CA 1.422 46.625 45.100 0.172 0.000 0.771 152 G HN 0.402 nan 8.290 nan 0.000 0.551 153 A N -0.268 122.644 122.820 0.154 0.000 1.933 153 A HA -0.024 4.297 4.320 0.003 0.000 0.218 153 A C 2.208 179.905 177.584 0.190 0.000 1.175 153 A CA 1.678 53.789 52.037 0.123 0.000 0.628 153 A CB -0.617 18.132 19.000 -0.418 0.000 0.814 153 A HN 0.492 nan 8.150 nan 0.000 0.444 154 Y N 0.615 120.939 120.300 0.041 0.000 2.200 154 Y HA -0.141 4.411 4.550 0.003 0.000 0.290 154 Y C 2.176 178.134 175.900 0.097 0.000 1.137 154 Y CA 2.012 60.142 58.100 0.049 0.000 1.163 154 Y CB 0.116 38.587 38.460 0.019 0.000 0.988 154 Y HN 0.305 nan 8.280 nan 0.000 0.518 155 E N -0.381 119.967 120.200 0.247 0.000 2.285 155 E HA -0.089 4.263 4.350 0.003 0.000 0.194 155 E C -0.129 176.587 176.600 0.193 0.000 0.997 155 E CA 0.198 56.703 56.400 0.176 0.000 0.845 155 E CB -0.376 29.453 29.700 0.215 0.000 0.782 155 E HN 0.235 nan 8.360 nan 0.000 0.491 156 F N 1.136 121.123 119.950 0.063 0.000 2.412 156 F HA 0.319 4.847 4.527 0.002 0.000 0.348 156 F C 1.026 176.842 175.800 0.027 0.000 1.102 156 F CA -0.988 57.053 58.000 0.069 0.000 1.196 156 F CB 1.127 40.219 39.000 0.154 0.000 1.144 156 F HN -0.168 nan 8.300 nan 0.000 0.541 157 A N 6.709 129.288 122.820 -0.401 0.000 2.337 157 A HA 0.293 4.615 4.320 0.003 0.000 0.227 157 A C 0.647 177.902 177.584 -0.549 0.000 1.259 157 A CA -0.075 51.732 52.037 -0.382 0.000 0.870 157 A CB -0.347 18.514 19.000 -0.232 0.000 0.927 157 A HN 0.724 nan 8.150 nan 0.000 0.497 158 R N -1.227 118.670 120.500 -1.003 0.000 2.854 158 R HA 0.677 5.019 4.340 0.003 0.000 0.271 158 R C -0.309 175.860 176.300 -0.218 0.000 0.994 158 R CA -0.446 55.292 56.100 -0.603 0.000 0.945 158 R CB 1.629 31.549 30.300 -0.632 0.000 1.194 158 R HN 0.193 nan 8.270 nan 0.000 0.476 159 A N 1.085 123.899 122.820 -0.012 0.000 2.371 159 A HA 0.243 4.564 4.320 0.003 0.000 0.257 159 A C 0.273 178.047 177.584 0.316 0.000 1.089 159 A CA -0.271 51.861 52.037 0.158 0.000 0.794 159 A CB 0.046 19.101 19.000 0.091 0.000 1.029 159 A HN 0.696 nan 8.150 nan 0.000 0.488 160 F N 1.680 121.706 119.950 0.128 0.000 2.075 160 F HA 0.007 4.536 4.527 0.002 0.000 0.297 160 F C -0.988 174.862 175.800 0.084 0.000 1.113 160 F CA 1.169 59.244 58.000 0.126 0.000 1.218 160 F CB -0.937 38.118 39.000 0.092 0.000 0.984 160 F HN 0.332 nan 8.300 nan 0.000 0.472 161 P HA 0.068 nan 4.420 nan 0.000 0.281 161 P C -0.281 177.070 177.300 0.085 0.000 1.249 161 P CA -0.450 62.731 63.100 0.134 0.000 0.810 161 P CB 0.701 32.471 31.700 0.117 0.000 1.008 162 M N 2.728 122.363 119.600 0.058 0.000 2.248 162 M HA 0.184 4.666 4.480 0.003 0.000 0.345 162 M C -0.671 175.652 176.300 0.037 0.000 1.243 162 M CA 0.984 56.308 55.300 0.039 0.000 1.090 162 M CB -0.258 32.359 32.600 0.028 0.000 1.683 162 M HN 0.246 nan 8.290 nan 0.000 0.450 163 M N 6.694 126.312 119.600 0.029 0.000 2.106 163 M HA 0.368 4.850 4.480 0.003 0.000 0.288 163 M C -1.417 174.893 176.300 0.017 0.000 0.941 163 M CA -0.177 55.137 55.300 0.024 0.000 0.934 163 M CB 1.914 34.529 32.600 0.024 0.000 1.551 163 M HN 0.691 nan 8.290 nan 0.000 0.437 164 M N 3.430 123.039 119.600 0.015 0.000 2.094 164 M HA 0.305 4.786 4.480 0.003 0.000 0.348 164 M C 0.258 176.564 176.300 0.009 0.000 1.267 164 M CA -0.225 55.082 55.300 0.011 0.000 1.125 164 M CB 0.622 33.228 32.600 0.011 0.000 1.527 164 M HN 0.650 nan 8.290 nan 0.000 0.447 165 T N -0.451 114.107 114.554 0.007 0.000 2.926 165 T HA 0.691 5.043 4.350 0.003 0.000 0.289 165 T C 0.991 175.694 174.700 0.004 0.000 1.054 165 T CA -0.483 61.620 62.100 0.006 0.000 1.015 165 T CB 1.721 70.592 68.868 0.004 0.000 1.167 165 T HN 0.565 nan 8.240 nan 0.000 0.526 166 A N 0.595 123.417 122.820 0.003 0.000 1.940 166 A HA 0.279 4.601 4.320 0.003 0.000 0.219 166 A C 2.284 179.869 177.584 0.001 0.000 1.176 166 A CA 1.662 53.701 52.037 0.002 0.000 0.631 166 A CB -1.328 17.674 19.000 0.002 0.000 0.814 166 A HN 1.364 nan 8.150 nan 0.000 0.446 167 A N -1.496 121.325 122.820 0.000 0.000 2.337 167 A HA 0.511 4.833 4.320 0.003 0.000 0.227 167 A C 1.063 178.647 177.584 -0.001 0.000 1.259 167 A CA 1.003 53.039 52.037 -0.001 0.000 0.870 167 A CB -0.966 18.033 19.000 -0.002 0.000 0.927 167 A HN 2.005 nan 8.150 nan 0.000 0.497 168 G N -2.009 106.791 108.800 0.000 0.000 2.381 168 G HA2 0.238 4.200 3.960 0.003 0.000 0.672 168 G HA3 0.238 4.200 3.960 0.003 0.000 0.672 168 G C -0.624 174.278 174.900 0.002 0.000 1.324 168 G CA -0.426 44.675 45.100 0.000 0.000 0.975 168 G HN 0.448 nan 8.290 nan 0.000 0.593 169 T N 0.159 114.715 114.554 0.003 0.000 2.859 169 T HA 0.680 5.032 4.350 0.003 0.000 0.281 169 T C 0.435 175.137 174.700 0.004 0.000 1.005 169 T CA 0.087 62.190 62.100 0.005 0.000 1.025 169 T CB 1.513 70.385 68.868 0.006 0.000 0.977 169 T HN 1.720 nan 8.240 nan 0.000 0.458 170 V N 1.607 121.525 119.914 0.007 0.000 2.459 170 V HA 0.695 4.817 4.120 0.003 0.000 0.295 170 V C -2.580 173.523 176.094 0.015 0.000 1.029 170 V CA -2.740 59.564 62.300 0.007 0.000 0.874 170 V CB 1.007 32.831 31.823 0.001 0.000 0.985 170 V HN 0.604 nan 8.190 nan 0.000 0.438 171 P HA 0.401 nan 4.420 nan 0.000 0.274 171 P C -2.703 174.613 177.300 0.026 0.000 1.256 171 P CA -1.580 61.530 63.100 0.017 0.000 0.795 171 P CB -0.120 31.589 31.700 0.014 0.000 1.038 172 P HA 0.159 nan 4.420 nan 0.000 0.274 172 P C -0.582 176.708 177.300 -0.017 0.000 1.246 172 P CA -0.227 62.879 63.100 0.010 0.000 0.795 172 P CB 0.344 32.042 31.700 -0.003 0.000 1.006 173 A N 2.621 125.393 122.820 -0.080 0.000 2.407 173 A HA 0.284 4.606 4.320 0.003 0.000 0.248 173 A C 0.348 177.773 177.584 -0.265 0.000 1.082 173 A CA -0.341 51.577 52.037 -0.198 0.000 0.785 173 A CB -0.110 18.564 19.000 -0.543 0.000 1.020 173 A HN 0.454 nan 8.150 nan 0.000 0.489 174 R N 1.069 121.422 120.500 -0.244 0.000 2.295 174 R HA 0.525 4.866 4.340 0.003 0.000 0.324 174 R C -1.379 174.769 176.300 -0.254 0.000 0.968 174 R CA -0.464 55.515 56.100 -0.201 0.000 0.837 174 R CB 1.694 31.919 30.300 -0.124 0.000 1.133 174 R HN 0.461 nan 8.270 nan 0.000 0.450 175 V N 4.964 124.749 119.914 -0.215 0.000 2.555 175 V HA 0.427 4.548 4.120 0.003 0.000 0.302 175 V C -0.381 175.635 176.094 -0.131 0.000 1.038 175 V CA -0.836 61.355 62.300 -0.182 0.000 0.887 175 V CB 2.107 33.840 31.823 -0.151 0.000 0.991 175 V HN 0.606 nan 8.190 nan 0.000 0.434 176 L N 5.036 126.190 121.223 -0.115 0.000 2.343 176 L HA 0.623 4.965 4.340 0.003 0.000 0.278 176 L C -1.072 175.700 176.870 -0.164 0.000 0.996 176 L CA -0.549 54.180 54.840 -0.185 0.000 0.831 176 L CB 1.848 43.784 42.059 -0.204 0.000 1.232 176 L HN 0.458 nan 8.230 nan 0.000 0.413 177 V N 5.238 125.027 119.914 -0.208 0.000 2.333 177 V HA 0.305 4.427 4.120 0.003 0.000 0.274 177 V C -0.337 175.646 176.094 -0.185 0.000 1.028 177 V CA -0.306 61.940 62.300 -0.091 0.000 0.851 177 V CB 0.950 32.760 31.823 -0.022 0.000 1.000 177 V HN 0.428 nan 8.190 nan 0.000 0.456 178 F N 3.084 123.024 119.950 -0.017 0.000 2.404 178 F HA 0.655 5.184 4.527 0.003 0.000 0.358 178 F C 1.015 176.810 175.800 -0.008 0.000 1.120 178 F CA 0.125 58.111 58.000 -0.023 0.000 1.144 178 F CB 1.239 40.218 39.000 -0.034 0.000 1.133 178 F HN 0.739 nan 8.300 nan 0.000 0.495 179 G N 2.335 111.216 108.800 0.136 0.000 3.402 179 G HA2 0.001 3.963 3.960 0.003 0.000 0.686 179 G HA3 0.001 3.963 3.960 0.003 0.000 0.686 179 G C -1.107 173.837 174.900 0.074 0.000 0.983 179 G CA -0.976 44.179 45.100 0.091 0.000 0.821 179 G HN 0.679 nan 8.290 nan 0.000 0.500 180 V N 3.778 123.734 119.914 0.071 0.000 2.446 180 V HA 0.653 4.774 4.120 0.003 0.000 0.257 180 V C 1.349 177.465 176.094 0.037 0.000 1.036 180 V CA 0.381 62.718 62.300 0.060 0.000 1.196 180 V CB 0.215 32.088 31.823 0.083 0.000 1.446 180 V HN 1.284 nan 8.190 nan 0.000 0.558 181 G N 0.663 109.483 108.800 0.032 0.000 2.714 181 G HA2 0.368 4.330 3.960 0.003 0.000 0.197 181 G HA3 0.368 4.330 3.960 0.003 0.000 0.197 181 G C 1.101 176.014 174.900 0.021 0.000 1.449 181 G CA 0.234 45.345 45.100 0.020 0.000 1.065 181 G HN 0.120 nan 8.290 nan 0.000 0.575 182 V N 1.118 121.042 119.914 0.017 0.000 2.261 182 V HA -0.119 4.003 4.120 0.003 0.000 0.246 182 V C 3.344 179.457 176.094 0.031 0.000 1.047 182 V CA 2.504 64.814 62.300 0.017 0.000 1.015 182 V CB -1.189 30.640 31.823 0.009 0.000 0.642 182 V HN 0.718 nan 8.190 nan 0.000 0.446 183 A N 0.747 123.589 122.820 0.037 0.000 1.858 183 A HA -0.113 4.209 4.320 0.003 0.000 0.216 183 A C 2.448 180.064 177.584 0.055 0.000 1.190 183 A CA 2.107 54.174 52.037 0.050 0.000 0.617 183 A CB -1.416 17.613 19.000 0.049 0.000 0.827 183 A HN 0.533 nan 8.150 nan 0.000 0.443 184 G N -0.335 108.495 108.800 0.050 0.000 2.440 184 G HA2 -0.177 3.785 3.960 0.003 0.000 0.218 184 G HA3 -0.177 3.785 3.960 0.003 0.000 0.218 184 G C 1.570 176.500 174.900 0.050 0.000 1.154 184 G CA 1.087 46.219 45.100 0.053 0.000 0.767 184 G HN 0.430 nan 8.290 nan 0.000 0.552 185 L N -0.458 120.790 121.223 0.043 0.000 2.056 185 L HA -0.087 4.255 4.340 0.003 0.000 0.207 185 L C 2.947 179.846 176.870 0.048 0.000 1.078 185 L CA 1.320 56.183 54.840 0.038 0.000 0.749 185 L CB -0.279 41.794 42.059 0.025 0.000 0.901 185 L HN 0.224 nan 8.230 nan 0.000 0.433 186 Q N -0.094 119.741 119.800 0.058 0.000 2.172 186 Q HA -0.096 4.246 4.340 0.003 0.000 0.200 186 Q C 2.162 178.220 176.000 0.097 0.000 0.964 186 Q CA 1.626 57.477 55.803 0.080 0.000 0.855 186 Q CB -0.149 28.645 28.738 0.093 0.000 0.918 186 Q HN 0.436 nan 8.270 nan 0.000 0.444 187 A N 0.028 122.897 122.820 0.082 0.000 1.933 187 A HA -0.139 4.183 4.320 0.003 0.000 0.218 187 A C 2.060 179.690 177.584 0.078 0.000 1.175 187 A CA 1.342 53.424 52.037 0.075 0.000 0.628 187 A CB -0.662 18.377 19.000 0.065 0.000 0.814 187 A HN 0.453 nan 8.150 nan 0.000 0.444 188 I N -0.264 120.345 120.570 0.065 0.000 2.179 188 I HA -0.291 3.881 4.170 0.003 0.000 0.242 188 I C 2.978 179.136 176.117 0.068 0.000 1.088 188 I CA 1.113 62.447 61.300 0.058 0.000 1.357 188 I CB -0.308 37.718 38.000 0.044 0.000 1.051 188 I HN 0.358 nan 8.210 nan 0.000 0.409 189 A N 0.216 123.078 122.820 0.069 0.000 1.902 189 A HA -0.195 4.126 4.320 0.003 0.000 0.217 189 A C 2.381 180.020 177.584 0.093 0.000 1.181 189 A CA 2.464 54.544 52.037 0.072 0.000 0.623 189 A CB -1.057 17.982 19.000 0.065 0.000 0.818 189 A HN 0.401 nan 8.150 nan 0.000 0.443 190 T N 0.158 114.780 114.554 0.112 0.000 2.812 190 T HA 0.084 4.436 4.350 0.003 0.000 0.264 190 T C 2.259 177.031 174.700 0.120 0.000 1.042 190 T CA 1.361 63.533 62.100 0.121 0.000 1.140 190 T CB -0.444 68.497 68.868 0.121 0.000 0.870 190 T HN 0.572 nan 8.240 nan 0.000 0.445 191 A N 1.860 124.778 122.820 0.163 0.000 1.902 191 A HA -0.120 4.202 4.320 0.003 0.000 0.217 191 A C 2.315 180.039 177.584 0.232 0.000 1.181 191 A CA 1.389 53.605 52.037 0.300 0.000 0.623 191 A CB -0.429 18.718 19.000 0.245 0.000 0.818 191 A HN 0.195 nan 8.150 nan 0.000 0.443 192 K N 0.206 120.686 120.400 0.134 0.000 2.057 192 K HA -0.157 4.165 4.320 0.003 0.000 0.206 192 K C 2.294 178.955 176.600 0.101 0.000 1.050 192 K CA 1.601 57.946 56.287 0.097 0.000 0.935 192 K CB -0.298 32.240 32.500 0.064 0.000 0.715 192 K HN 0.730 nan 8.250 nan 0.000 0.439 193 R N 0.335 120.895 120.500 0.099 0.000 2.148 193 R HA -0.032 4.309 4.340 0.003 0.000 0.227 193 R C 2.072 178.431 176.300 0.098 0.000 1.103 193 R CA 0.878 57.029 56.100 0.085 0.000 0.983 193 R CB -0.533 29.812 30.300 0.074 0.000 0.874 193 R HN 0.106 nan 8.270 nan 0.000 0.451 194 L N 0.559 121.864 121.223 0.136 0.000 2.552 194 L HA 0.132 4.474 4.340 0.003 0.000 0.227 194 L C 1.025 178.029 176.870 0.224 0.000 1.146 194 L CA 0.914 55.853 54.840 0.165 0.000 0.858 194 L CB 0.095 42.236 42.059 0.137 0.000 0.969 194 L HN 0.738 nan 8.230 nan 0.000 0.451 195 G N -0.809 108.099 108.800 0.180 0.000 2.179 195 G HA2 -0.213 3.749 3.960 0.003 0.000 0.220 195 G HA3 -0.213 3.749 3.960 0.003 0.000 0.220 195 G C 0.347 175.304 174.900 0.095 0.000 0.990 195 G CA -0.111 45.065 45.100 0.127 0.000 0.646 195 G HN 0.458 nan 8.290 nan 0.000 0.517 196 A N -0.046 122.835 122.820 0.103 0.000 2.386 196 A HA 0.687 5.009 4.320 0.003 0.000 0.248 196 A C 0.730 178.290 177.584 -0.039 0.000 1.082 196 A CA 0.271 52.273 52.037 -0.058 0.000 0.789 196 A CB 0.866 19.729 19.000 -0.229 0.000 1.025 196 A HN 1.161 nan 8.150 nan 0.000 0.490 197 V N 2.446 122.316 119.914 -0.074 0.000 2.488 197 V HA 0.289 4.411 4.120 0.003 0.000 0.277 197 V C -0.082 175.969 176.094 -0.072 0.000 1.046 197 V CA -0.086 62.181 62.300 -0.054 0.000 0.986 197 V CB 0.884 32.675 31.823 -0.053 0.000 0.989 197 V HN 0.541 nan 8.190 nan 0.000 0.475 198 V N 6.490 126.377 119.914 -0.045 0.000 2.378 198 V HA 0.483 4.605 4.120 0.003 0.000 0.288 198 V C 0.049 176.114 176.094 -0.049 0.000 1.016 198 V CA -0.615 61.657 62.300 -0.047 0.000 0.840 198 V CB 1.530 33.346 31.823 -0.010 0.000 0.994 198 V HN 0.718 nan 8.190 nan 0.000 0.431 199 M N 3.542 123.091 119.600 -0.085 0.000 2.444 199 M HA 0.888 5.370 4.480 0.003 0.000 0.319 199 M C 0.009 176.225 176.300 -0.140 0.000 1.183 199 M CA -0.329 54.906 55.300 -0.109 0.000 1.032 199 M CB 1.760 34.267 32.600 -0.155 0.000 1.569 199 M HN 0.756 nan 8.290 nan 0.000 0.468 200 A N 0.666 123.395 122.820 -0.151 0.000 2.606 200 A HA 0.804 5.126 4.320 0.003 0.000 0.293 200 A C -0.950 176.435 177.584 -0.332 0.000 1.082 200 A CA -0.551 51.382 52.037 -0.174 0.000 0.685 200 A CB 2.009 21.020 19.000 0.020 0.000 1.284 200 A HN 0.736 nan 8.150 nan 0.000 0.408 201 T N -0.044 114.296 114.554 -0.356 0.000 2.900 201 T HA 0.655 5.007 4.350 0.003 0.000 0.303 201 T C -2.247 172.416 174.700 -0.063 0.000 1.142 201 T CA -0.332 61.481 62.100 -0.477 0.000 1.007 201 T CB 1.708 70.285 68.868 -0.486 0.000 1.156 201 T HN 0.829 nan 8.240 nan 0.000 0.490 202 D N 1.238 121.694 120.400 0.092 0.000 2.654 202 D HA 0.216 4.857 4.640 0.003 0.000 0.231 202 D C 1.429 177.836 176.300 0.177 0.000 1.239 202 D CA -0.284 53.827 54.000 0.184 0.000 0.790 202 D CB 2.194 43.146 40.800 0.254 0.000 1.480 202 D HN 0.432 nan 8.370 nan 0.000 0.442 203 V N 1.128 121.061 119.914 0.033 0.000 2.427 203 V HA 0.115 4.237 4.120 0.003 0.000 0.248 203 V C 1.091 177.238 176.094 0.089 0.000 1.051 203 V CA 0.815 63.109 62.300 -0.009 0.000 1.048 203 V CB -0.517 31.095 31.823 -0.351 0.000 0.666 203 V HN 0.328 nan 8.190 nan 0.000 0.456 204 R N 0.171 120.711 120.500 0.067 0.000 2.539 204 R HA 0.570 4.912 4.340 0.003 0.000 0.275 204 R C 1.435 177.763 176.300 0.047 0.000 1.077 204 R CA 0.304 56.437 56.100 0.054 0.000 1.097 204 R CB 1.083 31.395 30.300 0.019 0.000 1.018 204 R HN 0.403 nan 8.270 nan 0.000 0.483 205 A N 2.319 125.154 122.820 0.024 0.000 1.898 205 A HA -0.063 4.258 4.320 0.003 0.000 0.214 205 A C 2.018 179.541 177.584 -0.100 0.000 1.183 205 A CA 1.437 53.468 52.037 -0.010 0.000 0.622 205 A CB -0.411 18.597 19.000 0.013 0.000 0.824 205 A HN 0.801 nan 8.150 nan 0.000 0.444 206 A N -0.939 121.832 122.820 -0.083 0.000 2.121 206 A HA -0.013 4.308 4.320 0.003 0.000 0.218 206 A C 2.116 179.598 177.584 -0.169 0.000 1.154 206 A CA 1.944 53.917 52.037 -0.106 0.000 0.679 206 A CB -1.068 17.894 19.000 -0.063 0.000 0.795 206 A HN 0.395 nan 8.150 nan 0.000 0.458 207 T N -0.202 114.230 114.554 -0.203 0.000 2.803 207 T HA -0.163 4.188 4.350 0.003 0.000 0.269 207 T C 1.919 176.297 174.700 -0.537 0.000 1.052 207 T CA 1.712 63.654 62.100 -0.263 0.000 1.136 207 T CB -0.171 68.609 68.868 -0.146 0.000 0.864 207 T HN 0.683 nan 8.240 nan 0.000 0.467 208 K N 1.044 120.888 120.400 -0.925 0.000 2.044 208 K HA -0.187 4.135 4.320 0.003 0.000 0.210 208 K C 2.296 178.626 176.600 -0.451 0.000 1.049 208 K CA 1.740 57.331 56.287 -1.159 0.000 0.927 208 K CB -0.095 31.871 32.500 -0.889 0.000 0.713 208 K HN 0.383 nan 8.250 nan 0.000 0.443 209 E N 0.043 120.071 120.200 -0.288 0.000 2.150 209 E HA -0.202 4.149 4.350 0.003 0.000 0.193 209 E C 2.025 178.554 176.600 -0.118 0.000 0.985 209 E CA 1.086 57.394 56.400 -0.153 0.000 0.814 209 E CB 0.155 29.788 29.700 -0.112 0.000 0.752 209 E HN 0.429 nan 8.360 nan 0.000 0.466 210 Q N -0.185 119.535 119.800 -0.133 0.000 2.046 210 Q HA -0.125 4.217 4.340 0.003 0.000 0.200 210 Q C 2.337 178.303 176.000 -0.058 0.000 0.975 210 Q CA 1.421 57.175 55.803 -0.082 0.000 0.836 210 Q CB 0.071 28.765 28.738 -0.074 0.000 0.896 210 Q HN 0.180 nan 8.270 nan 0.000 0.428 211 V N 1.571 121.441 119.914 -0.074 0.000 2.282 211 V HA -0.300 3.822 4.120 0.003 0.000 0.249 211 V C 1.890 177.985 176.094 0.002 0.000 1.057 211 V CA 2.139 64.437 62.300 -0.004 0.000 1.032 211 V CB -0.477 31.392 31.823 0.076 0.000 0.645 211 V HN 0.382 nan 8.190 nan 0.000 0.447 212 E N 0.381 120.568 120.200 -0.023 0.000 2.150 212 E HA -0.155 4.197 4.350 0.003 0.000 0.193 212 E C 2.229 178.824 176.600 -0.010 0.000 0.985 212 E CA 1.341 57.736 56.400 -0.009 0.000 0.814 212 E CB -0.216 29.472 29.700 -0.020 0.000 0.752 212 E HN 0.757 nan 8.360 nan 0.000 0.466 213 S N 0.323 116.011 115.700 -0.019 0.000 2.515 213 S HA -0.029 4.443 4.470 0.003 0.000 0.231 213 S C 1.581 176.180 174.600 -0.002 0.000 0.987 213 S CA 0.502 58.694 58.200 -0.013 0.000 0.936 213 S CB -0.069 63.119 63.200 -0.020 0.000 0.766 213 S HN 0.177 nan 8.310 nan 0.000 0.528 214 L N 0.776 122.001 121.223 0.004 0.000 2.769 214 L HA 0.421 4.763 4.340 0.003 0.000 0.240 214 L C 1.599 178.481 176.870 0.020 0.000 1.163 214 L CA 0.168 55.017 54.840 0.015 0.000 0.962 214 L CB -0.175 41.897 42.059 0.021 0.000 1.258 214 L HN 0.508 nan 8.230 nan 0.000 0.513 215 G N 0.195 109.004 108.800 0.015 0.000 2.155 215 G HA2 -0.244 3.718 3.960 0.003 0.000 0.257 215 G HA3 -0.244 3.718 3.960 0.003 0.000 0.257 215 G C 0.555 175.467 174.900 0.020 0.000 0.983 215 G CA 0.034 45.145 45.100 0.017 0.000 0.676 215 G HN 0.517 nan 8.290 nan 0.000 0.528 216 G N -0.798 108.017 108.800 0.024 0.000 2.547 216 G HA2 0.585 4.547 3.960 0.003 0.000 0.291 216 G HA3 0.585 4.547 3.960 0.003 0.000 0.291 216 G C -0.176 174.747 174.900 0.039 0.000 1.211 216 G CA -0.569 44.547 45.100 0.028 0.000 0.950 216 G HN 0.353 nan 8.290 nan 0.000 0.504 217 K N -0.223 120.200 120.400 0.039 0.000 2.345 217 K HA 0.291 4.613 4.320 0.003 0.000 0.255 217 K C -1.618 175.040 176.600 0.097 0.000 0.934 217 K CA -0.573 55.748 56.287 0.058 0.000 0.801 217 K CB 2.493 35.004 32.500 0.019 0.000 1.137 217 K HN 0.329 nan 8.250 nan 0.000 0.424 218 F N 3.252 123.175 119.950 -0.044 0.000 2.410 218 F HA 0.304 4.833 4.527 0.002 0.000 0.348 218 F C 0.314 176.083 175.800 -0.052 0.000 1.106 218 F CA -0.913 57.056 58.000 -0.052 0.000 1.163 218 F CB 0.530 39.508 39.000 -0.036 0.000 1.129 218 F HN 0.393 nan 8.300 nan 0.000 0.516 219 I N 5.397 125.626 120.570 -0.568 0.000 2.357 219 I HA 0.153 4.325 4.170 0.003 0.000 0.300 219 I C 0.008 175.876 176.117 -0.414 0.000 1.159 219 I CA 0.376 61.426 61.300 -0.417 0.000 1.339 219 I CB -0.344 37.419 38.000 -0.395 0.000 1.458 219 I HN 0.564 nan 8.210 nan 0.000 0.577 220 T N 3.893 118.355 114.554 -0.154 0.000 4.252 220 T HA 0.243 4.595 4.350 0.003 0.000 0.395 220 T C 0.143 174.851 174.700 0.014 0.000 1.131 220 T CA -0.596 61.476 62.100 -0.047 0.000 1.087 220 T CB 0.737 69.617 68.868 0.019 0.000 1.218 220 T HN 0.080 nan 8.240 nan 0.000 0.470 221 V N 3.606 123.521 119.914 0.001 0.000 2.599 221 V HA 0.402 4.524 4.120 0.003 0.000 0.237 221 V C 0.727 176.831 176.094 0.017 0.000 1.081 221 V CA 0.831 63.138 62.300 0.012 0.000 1.107 221 V CB 0.041 31.863 31.823 -0.000 0.000 0.808 221 V HN 0.834 nan 8.190 nan 0.000 0.486 241 E N 0.769 120.980 120.200 0.019 0.000 2.360 241 E HA 0.208 4.560 4.350 0.003 0.000 0.253 241 E C -0.030 176.576 176.600 0.011 0.000 1.189 241 E CA -0.271 56.154 56.400 0.040 0.000 1.252 241 E CB 1.210 30.932 29.700 0.036 0.000 1.408 241 E HN 0.534 nan 8.360 nan 0.000 0.464 242 E N -0.304 119.876 120.200 -0.033 0.000 2.539 242 E HA 0.087 4.439 4.350 0.003 0.000 0.215 242 E C 0.963 177.532 176.600 -0.053 0.000 0.965 242 E CA -0.172 56.190 56.400 -0.063 0.000 1.019 242 E CB 0.240 29.871 29.700 -0.116 0.000 1.059 242 E HN 0.242 nan 8.360 nan 0.000 0.496 243 F N 1.616 121.572 119.950 0.010 0.000 2.075 243 F HA -0.102 4.427 4.527 0.003 0.000 0.297 243 F C 2.629 178.436 175.800 0.011 0.000 1.113 243 F CA 1.443 59.452 58.000 0.015 0.000 1.218 243 F CB -0.268 38.744 39.000 0.019 0.000 0.984 243 F HN -0.015 nan 8.300 nan 0.000 0.472 244 R N 0.374 121.002 120.500 0.214 0.000 2.081 244 R HA -0.161 4.181 4.340 0.003 0.000 0.235 244 R C 2.444 178.786 176.300 0.069 0.000 1.131 244 R CA 1.355 57.522 56.100 0.111 0.000 0.960 244 R CB -0.188 30.155 30.300 0.071 0.000 0.856 244 R HN 0.073 nan 8.270 nan 0.000 0.436 245 K N 0.835 121.268 120.400 0.054 0.000 2.062 245 K HA -0.152 4.170 4.320 0.003 0.000 0.205 245 K C 1.907 178.524 176.600 0.029 0.000 1.051 245 K CA 1.355 57.659 56.287 0.029 0.000 0.941 245 K CB -0.024 32.485 32.500 0.014 0.000 0.719 245 K HN 0.065 nan 8.250 nan 0.000 0.440 246 K N 0.780 121.202 120.400 0.037 0.000 2.076 246 K HA -0.130 4.192 4.320 0.003 0.000 0.204 246 K C 2.226 178.854 176.600 0.047 0.000 1.051 246 K CA 0.948 57.254 56.287 0.031 0.000 0.949 246 K CB 0.003 32.514 32.500 0.018 0.000 0.726 246 K HN 0.172 nan 8.250 nan 0.000 0.443 247 Q N 0.390 120.238 119.800 0.080 0.000 2.045 247 Q HA -0.112 4.230 4.340 0.003 0.000 0.206 247 Q C 0.244 176.276 176.000 0.054 0.000 0.991 247 Q CA 1.523 57.375 55.803 0.082 0.000 0.851 247 Q CB -0.188 28.622 28.738 0.120 0.000 0.911 247 Q HN 0.309 nan 8.270 nan 0.000 0.418 248 A N 1.298 124.150 122.820 0.054 0.000 3.030 248 A HA 0.013 4.335 4.320 0.003 0.000 0.273 248 A C 0.466 178.065 177.584 0.024 0.000 1.841 248 A CA 0.349 52.413 52.037 0.045 0.000 1.479 248 A CB -0.577 18.445 19.000 0.036 0.000 1.048 248 A HN 0.637 nan 8.150 nan 0.000 0.612 249 E N 0.508 120.717 120.200 0.016 0.000 3.293 249 E HA 0.187 4.539 4.350 0.003 0.000 0.218 249 E C 1.662 178.259 176.600 -0.004 0.000 1.112 249 E CA 0.455 56.858 56.400 0.005 0.000 1.642 249 E CB -0.421 29.281 29.700 0.004 0.000 1.630 249 E HN 0.421 nan 8.360 nan 0.000 0.820 250 A N 1.847 124.660 122.820 -0.013 0.000 1.968 250 A HA 0.063 4.385 4.320 0.003 0.000 0.217 250 A C 2.391 179.949 177.584 -0.042 0.000 1.169 250 A CA 1.102 53.120 52.037 -0.030 0.000 0.638 250 A CB -0.561 18.414 19.000 -0.042 0.000 0.812 250 A HN 0.122 nan 8.150 nan 0.000 0.446 251 V N -0.094 119.801 119.914 -0.030 0.000 2.358 251 V HA -0.227 3.895 4.120 0.003 0.000 0.246 251 V C 2.470 178.578 176.094 0.023 0.000 1.047 251 V CA 1.842 64.133 62.300 -0.015 0.000 1.035 251 V CB -0.542 31.318 31.823 0.061 0.000 0.658 251 V HN 0.629 nan 8.190 nan 0.000 0.452 252 L N -0.156 121.082 121.223 0.026 0.000 2.046 252 L HA -0.236 4.106 4.340 0.003 0.000 0.208 252 L C 2.622 179.494 176.870 0.005 0.000 1.077 252 L CA 2.031 56.884 54.840 0.022 0.000 0.747 252 L CB -0.368 41.697 42.059 0.010 0.000 0.896 252 L HN 0.343 nan 8.230 nan 0.000 0.432 253 K N -0.346 120.050 120.400 -0.008 0.000 2.044 253 K HA -0.238 4.083 4.320 0.003 0.000 0.210 253 K C 1.920 178.508 176.600 -0.021 0.000 1.049 253 K CA 1.766 58.044 56.287 -0.015 0.000 0.927 253 K CB 0.051 32.539 32.500 -0.020 0.000 0.713 253 K HN 0.275 nan 8.250 nan 0.000 0.443 254 E N 0.617 120.797 120.200 -0.033 0.000 2.107 254 E HA -0.152 4.200 4.350 0.003 0.000 0.191 254 E C 2.017 178.598 176.600 -0.032 0.000 0.982 254 E CA 0.566 56.938 56.400 -0.048 0.000 0.809 254 E CB -0.243 29.405 29.700 -0.087 0.000 0.756 254 E HN 0.246 nan 8.360 nan 0.000 0.459 255 L N 0.883 122.107 121.223 0.001 0.000 2.131 255 L HA -0.130 4.212 4.340 0.003 0.000 0.210 255 L C 2.206 179.084 176.870 0.013 0.000 1.092 255 L CA 1.085 55.949 54.840 0.040 0.000 0.759 255 L CB -0.306 41.815 42.059 0.103 0.000 0.903 255 L HN -0.111 nan 8.230 nan 0.000 0.435 256 V N -0.523 119.392 119.914 0.002 0.000 2.490 256 V HA -0.264 3.858 4.120 0.003 0.000 0.250 256 V C 2.271 178.360 176.094 -0.008 0.000 1.061 256 V CA 1.778 64.076 62.300 -0.004 0.000 1.064 256 V CB -0.676 31.143 31.823 -0.005 0.000 0.670 256 V HN 0.467 nan 8.190 nan 0.000 0.461 257 K N -0.593 119.797 120.400 -0.016 0.000 2.444 257 K HA 0.090 4.412 4.320 0.003 0.000 0.193 257 K C 0.581 177.158 176.600 -0.038 0.000 1.024 257 K CA 0.091 56.365 56.287 -0.023 0.000 1.077 257 K CB 0.120 32.603 32.500 -0.028 0.000 0.833 257 K HN 0.387 nan 8.250 nan 0.000 0.517 258 T N 1.790 116.318 114.554 -0.044 0.000 2.869 258 T HA 0.056 4.408 4.350 0.003 0.000 0.295 258 T C 0.501 175.136 174.700 -0.108 0.000 0.987 258 T CA -0.302 61.751 62.100 -0.078 0.000 1.109 258 T CB 1.285 70.123 68.868 -0.051 0.000 0.932 258 T HN 0.046 nan 8.240 nan 0.000 0.518 259 D N 1.517 121.790 120.400 -0.211 0.000 2.269 259 D HA 0.113 4.755 4.640 0.003 0.000 0.220 259 D C 0.298 176.302 176.300 -0.493 0.000 0.962 259 D CA 0.844 54.613 54.000 -0.386 0.000 0.884 259 D CB 0.385 40.816 40.800 -0.616 0.000 1.023 259 D HN 0.358 nan 8.370 nan 0.000 0.484 260 I N 0.806 121.125 120.570 -0.418 0.000 2.410 260 I HA 0.359 4.531 4.170 0.003 0.000 0.286 260 I C -0.479 175.576 176.117 -0.104 0.000 1.009 260 I CA -0.722 60.422 61.300 -0.261 0.000 1.111 260 I CB 2.106 39.965 38.000 -0.233 0.000 1.262 260 I HN -0.199 nan 8.210 nan 0.000 0.443 261 A N 7.699 130.507 122.820 -0.020 0.000 2.276 261 A HA 0.856 5.178 4.320 0.003 0.000 0.316 261 A C -0.412 177.234 177.584 0.103 0.000 1.229 261 A CA -0.361 51.731 52.037 0.092 0.000 0.851 261 A CB 0.268 19.353 19.000 0.143 0.000 1.165 261 A HN 0.672 nan 8.150 nan 0.000 0.513 262 I N 2.927 123.587 120.570 0.149 0.000 2.382 262 I HA 0.330 4.502 4.170 0.003 0.000 0.286 262 I C 0.167 176.399 176.117 0.191 0.000 1.002 262 I CA -0.333 61.042 61.300 0.124 0.000 1.135 262 I CB 2.193 40.245 38.000 0.088 0.000 1.288 262 I HN 0.698 nan 8.210 nan 0.000 0.448 263 T N 0.696 115.327 114.554 0.129 0.000 2.770 263 T HA 0.416 4.768 4.350 0.003 0.000 0.283 263 T C 0.407 175.151 174.700 0.073 0.000 0.988 263 T CA -0.476 61.694 62.100 0.116 0.000 0.957 263 T CB 1.469 70.324 68.868 -0.022 0.000 0.930 263 T HN 0.714 nan 8.240 nan 0.000 0.443 264 T N -0.580 114.025 114.554 0.086 0.000 3.275 264 T HA 0.535 4.886 4.350 0.003 0.000 0.298 264 T C 0.550 175.276 174.700 0.044 0.000 0.988 264 T CA -0.129 62.006 62.100 0.059 0.000 0.936 264 T CB -0.083 68.823 68.868 0.064 0.000 1.159 264 T HN 0.966 nan 8.240 nan 0.000 0.519 265 A N 2.124 124.966 122.820 0.037 0.000 2.309 265 A HA 0.754 5.076 4.320 0.003 0.000 0.290 265 A C -0.241 177.343 177.584 0.001 0.000 1.206 265 A CA -0.559 51.488 52.037 0.017 0.000 0.850 265 A CB 0.132 19.139 19.000 0.010 0.000 1.118 265 A HN 0.642 nan 8.150 nan 0.000 0.523 266 L N 2.725 123.948 121.223 0.001 0.000 2.354 266 L HA 0.601 4.943 4.340 0.003 0.000 0.269 266 L C -0.670 176.196 176.870 -0.007 0.000 1.005 266 L CA -0.555 54.285 54.840 -0.001 0.000 0.819 266 L CB 2.004 44.069 42.059 0.009 0.000 1.311 266 L HN 0.553 nan 8.230 nan 0.000 0.423 267 I N 3.331 123.898 120.570 -0.006 0.000 2.362 267 I HA 0.310 4.482 4.170 0.003 0.000 0.289 267 I C -2.093 174.028 176.117 0.006 0.000 0.994 267 I CA -1.842 59.456 61.300 -0.003 0.000 1.158 267 I CB 1.996 39.994 38.000 -0.003 0.000 1.315 267 I HN 0.333 nan 8.210 nan 0.000 0.451 268 P HA 0.150 nan 4.420 nan 0.000 0.270 268 P C 0.717 178.026 177.300 0.016 0.000 1.242 268 P CA 0.586 63.694 63.100 0.013 0.000 0.768 268 P CB 1.105 32.814 31.700 0.014 0.000 0.820 269 G N 3.465 112.274 108.800 0.015 0.000 2.659 269 G HA2 -0.196 3.765 3.960 0.003 0.000 0.212 269 G HA3 -0.196 3.765 3.960 0.003 0.000 0.212 269 G C 0.203 175.110 174.900 0.012 0.000 1.226 269 G CA -0.294 44.815 45.100 0.014 0.000 0.739 269 G HN 0.538 nan 8.290 nan 0.000 0.528 270 K N 2.339 122.747 120.400 0.012 0.000 2.107 270 K HA 0.492 4.814 4.320 0.003 0.000 0.251 270 K C -1.919 174.685 176.600 0.007 0.000 1.012 270 K CA -1.511 54.783 56.287 0.011 0.000 0.920 270 K CB 0.378 32.887 32.500 0.015 0.000 1.033 270 K HN 0.346 nan 8.250 nan 0.000 0.478 271 P HA 0.044 nan 4.420 nan 0.000 0.271 271 P C -0.768 176.531 177.300 -0.002 0.000 1.233 271 P CA -0.266 62.834 63.100 0.001 0.000 0.789 271 P CB 0.372 32.072 31.700 -0.000 0.000 0.951 272 A N 2.908 125.724 122.820 -0.007 0.000 2.425 272 A HA 0.420 4.742 4.320 0.003 0.000 0.249 272 A C -1.929 175.643 177.584 -0.019 0.000 1.084 272 A CA -1.201 50.829 52.037 -0.013 0.000 0.781 272 A CB -1.067 17.924 19.000 -0.015 0.000 1.019 272 A HN 0.433 nan 8.150 nan 0.000 0.490 273 P HA 0.179 nan 4.420 nan 0.000 0.276 273 P C -0.494 176.778 177.300 -0.047 0.000 1.235 273 P CA -0.101 62.981 63.100 -0.029 0.000 0.772 273 P CB 0.847 32.522 31.700 -0.042 0.000 0.871 274 V N 5.694 125.582 119.914 -0.043 0.000 2.403 274 V HA -0.025 4.097 4.120 0.003 0.000 0.265 274 V C 1.733 177.769 176.094 -0.096 0.000 1.034 274 V CA 0.585 62.844 62.300 -0.068 0.000 1.036 274 V CB -0.341 31.453 31.823 -0.049 0.000 1.032 274 V HN 0.490 nan 8.190 nan 0.000 0.478 275 L N 5.571 126.692 121.223 -0.171 0.000 2.515 275 L HA 0.409 4.751 4.340 0.003 0.000 0.223 275 L C 0.348 176.982 176.870 -0.394 0.000 1.079 275 L CA 0.566 55.245 54.840 -0.269 0.000 0.857 275 L CB 0.260 42.100 42.059 -0.364 0.000 1.050 275 L HN 0.443 nan 8.230 nan 0.000 0.476 276 I N 0.500 120.867 120.570 -0.337 0.000 2.468 276 I HA 0.191 4.362 4.170 0.003 0.000 0.284 276 I C 0.223 176.245 176.117 -0.158 0.000 1.038 276 I CA -0.427 60.707 61.300 -0.276 0.000 1.083 276 I CB 1.893 39.703 38.000 -0.317 0.000 1.223 276 I HN -0.006 nan 8.210 nan 0.000 0.443 277 T N 0.080 114.564 114.554 -0.116 0.000 2.816 277 T HA 0.178 4.530 4.350 0.003 0.000 0.282 277 T C 1.002 175.652 174.700 -0.084 0.000 0.993 277 T CA -0.452 61.599 62.100 -0.082 0.000 0.994 277 T CB 1.889 70.719 68.868 -0.063 0.000 1.025 277 T HN 0.723 nan 8.240 nan 0.000 0.529 278 E N 0.029 120.190 120.200 -0.066 0.000 2.085 278 E HA -0.238 4.114 4.350 0.003 0.000 0.194 278 E C 1.993 178.492 176.600 -0.168 0.000 0.994 278 E CA 1.327 57.679 56.400 -0.080 0.000 0.801 278 E CB -0.098 29.594 29.700 -0.014 0.000 0.743 278 E HN 0.831 nan 8.360 nan 0.000 0.453 279 E N 0.134 120.261 120.200 -0.121 0.000 2.097 279 E HA -0.256 4.096 4.350 0.003 0.000 0.196 279 E C 2.048 178.573 176.600 -0.125 0.000 1.000 279 E CA 1.633 57.960 56.400 -0.121 0.000 0.804 279 E CB -0.109 29.548 29.700 -0.072 0.000 0.740 279 E HN 0.398 nan 8.360 nan 0.000 0.454 280 M N 0.256 119.794 119.600 -0.103 0.000 2.229 280 M HA -0.136 4.345 4.480 0.003 0.000 0.264 280 M C 2.447 178.690 176.300 -0.096 0.000 1.063 280 M CA 1.180 56.429 55.300 -0.085 0.000 1.114 280 M CB -0.059 32.495 32.600 -0.076 0.000 1.387 280 M HN 0.168 nan 8.290 nan 0.000 0.420 281 V N -1.412 118.427 119.914 -0.126 0.000 2.871 281 V HA -0.125 3.996 4.120 0.003 0.000 0.256 281 V C 2.147 178.148 176.094 -0.156 0.000 1.082 281 V CA 1.966 64.202 62.300 -0.107 0.000 1.105 281 V CB -1.427 30.365 31.823 -0.052 0.000 0.713 281 V HN 0.597 nan 8.190 nan 0.000 0.473 282 T N -1.106 113.269 114.554 -0.298 0.000 2.821 282 T HA -0.149 4.203 4.350 0.003 0.000 0.267 282 T C 1.733 176.373 174.700 -0.099 0.000 1.046 282 T CA 1.645 63.579 62.100 -0.277 0.000 1.139 282 T CB -0.590 68.093 68.868 -0.308 0.000 0.871 282 T HN 0.591 nan 8.240 nan 0.000 0.454 283 K N 0.607 120.958 120.400 -0.082 0.000 2.487 283 K HA 0.281 4.603 4.320 0.003 0.000 0.192 283 K C 0.456 177.044 176.600 -0.021 0.000 1.027 283 K CA 0.053 56.316 56.287 -0.040 0.000 1.054 283 K CB -0.141 32.337 32.500 -0.037 0.000 0.824 283 K HN 0.469 nan 8.250 nan 0.000 0.510 284 M N 1.796 121.386 119.600 -0.018 0.000 2.342 284 M HA 0.131 4.613 4.480 0.003 0.000 0.332 284 M C -0.011 176.299 176.300 0.017 0.000 1.166 284 M CA -0.505 54.795 55.300 0.001 0.000 1.086 284 M CB 1.059 33.660 32.600 0.003 0.000 1.541 284 M HN -0.048 nan 8.290 nan 0.000 0.462 285 K N 1.058 121.471 120.400 0.023 0.000 2.270 285 K HA 0.431 4.753 4.320 0.003 0.000 0.276 285 K C -2.781 173.851 176.600 0.054 0.000 1.023 285 K CA -1.568 54.740 56.287 0.036 0.000 0.955 285 K CB -0.409 32.114 32.500 0.038 0.000 0.975 285 K HN 0.172 nan 8.250 nan 0.000 0.471 286 P HA 0.017 nan 4.420 nan 0.000 0.269 286 P C 0.621 177.972 177.300 0.085 0.000 1.215 286 P CA 0.592 63.730 63.100 0.063 0.000 0.780 286 P CB 0.701 32.430 31.700 0.048 0.000 0.898 287 G N 0.583 109.442 108.800 0.098 0.000 2.176 287 G HA2 -0.241 3.721 3.960 0.003 0.000 0.253 287 G HA3 -0.241 3.721 3.960 0.003 0.000 0.253 287 G C 0.458 175.513 174.900 0.258 0.000 0.979 287 G CA 0.128 45.320 45.100 0.153 0.000 0.641 287 G HN 0.594 nan 8.290 nan 0.000 0.530 288 S N -0.820 114.975 115.700 0.157 0.000 2.593 288 S HA 0.595 5.067 4.470 0.003 0.000 0.269 288 S C 0.312 174.948 174.600 0.061 0.000 1.334 288 S CA 0.320 58.564 58.200 0.075 0.000 1.015 288 S CB 2.131 65.343 63.200 0.020 0.000 0.912 288 S HN 1.592 nan 8.310 nan 0.000 0.541 289 V N 2.418 122.325 119.914 -0.011 0.000 2.789 289 V HA 0.686 4.808 4.120 0.003 0.000 0.311 289 V C -1.312 174.777 176.094 -0.007 0.000 1.073 289 V CA -0.802 61.508 62.300 0.016 0.000 0.921 289 V CB 1.495 33.356 31.823 0.064 0.000 1.009 289 V HN 0.794 nan 8.190 nan 0.000 0.426 290 I N 6.436 127.010 120.570 0.006 0.000 2.378 290 I HA 0.493 4.665 4.170 0.003 0.000 0.291 290 I C -0.725 175.396 176.117 0.007 0.000 0.992 290 I CA -0.678 60.623 61.300 0.002 0.000 1.154 290 I CB 1.893 39.884 38.000 -0.015 0.000 1.315 290 I HN 0.433 nan 8.210 nan 0.000 0.448 291 I N 5.033 125.617 120.570 0.022 0.000 2.328 291 I HA 0.209 4.381 4.170 0.003 0.000 0.287 291 I C -0.310 175.819 176.117 0.020 0.000 1.012 291 I CA -0.215 61.102 61.300 0.028 0.000 1.195 291 I CB 0.980 39.013 38.000 0.054 0.000 1.350 291 I HN 0.500 nan 8.210 nan 0.000 0.464 292 D N 7.010 127.409 120.400 -0.001 0.000 2.485 292 D HA 0.260 4.902 4.640 0.003 0.000 0.221 292 D C 1.073 177.379 176.300 0.010 0.000 1.112 292 D CA -0.237 53.760 54.000 -0.006 0.000 0.911 292 D CB 0.865 41.648 40.800 -0.029 0.000 1.019 292 D HN 0.408 nan 8.370 nan 0.000 0.516 293 L N 1.867 123.106 121.223 0.027 0.000 2.376 293 L HA 0.014 4.356 4.340 0.003 0.000 0.219 293 L C 1.848 178.735 176.870 0.027 0.000 1.133 293 L CA 0.522 55.383 54.840 0.036 0.000 0.816 293 L CB -0.042 42.044 42.059 0.046 0.000 0.933 293 L HN 0.346 nan 8.230 nan 0.000 0.449 294 A N -0.806 122.022 122.820 0.015 0.000 2.370 294 A HA 0.076 4.397 4.320 0.003 0.000 0.238 294 A C 1.978 179.562 177.584 -0.000 0.000 1.289 294 A CA 0.095 52.136 52.037 0.008 0.000 0.885 294 A CB -0.223 18.777 19.000 -0.000 0.000 0.961 294 A HN 0.143 nan 8.150 nan 0.000 0.499 295 V N 0.054 119.967 119.914 -0.000 0.000 2.490 295 V HA -0.236 3.886 4.120 0.003 0.000 0.250 295 V C 2.045 178.136 176.094 -0.004 0.000 1.061 295 V CA 2.593 64.889 62.300 -0.007 0.000 1.064 295 V CB -0.379 31.438 31.823 -0.010 0.000 0.670 295 V HN 0.752 nan 8.190 nan 0.000 0.461 296 E N 0.087 120.289 120.200 0.004 0.000 2.274 296 E HA 0.023 4.375 4.350 0.003 0.000 0.194 296 E C 1.650 178.249 176.600 -0.001 0.000 0.996 296 E CA 0.870 57.272 56.400 0.002 0.000 0.840 296 E CB -0.147 29.557 29.700 0.006 0.000 0.772 296 E HN 0.636 nan 8.360 nan 0.000 0.491 297 A N 0.023 122.843 122.820 0.000 0.000 2.577 297 A HA 0.461 4.783 4.320 0.003 0.000 0.280 297 A C 1.299 178.880 177.584 -0.006 0.000 1.331 297 A CA 0.460 52.497 52.037 -0.001 0.000 0.935 297 A CB -0.097 18.905 19.000 0.003 0.000 1.082 297 A HN 0.266 nan 8.150 nan 0.000 0.525 298 G N -1.745 107.050 108.800 -0.008 0.000 2.213 298 G HA2 0.259 4.221 3.960 0.003 0.000 0.226 298 G HA3 0.259 4.221 3.960 0.003 0.000 0.226 298 G C 1.298 176.187 174.900 -0.018 0.000 0.992 298 G CA 0.336 45.429 45.100 -0.012 0.000 0.632 298 G HN 2.483 nan 8.290 nan 0.000 0.511 299 G N -0.720 108.068 108.800 -0.020 0.000 2.722 299 G HA2 -0.009 3.953 3.960 0.003 0.000 0.686 299 G HA3 -0.009 3.953 3.960 0.003 0.000 0.686 299 G C 0.184 175.059 174.900 -0.042 0.000 1.282 299 G CA 0.419 45.502 45.100 -0.029 0.000 0.817 299 G HN 1.035 nan 8.290 nan 0.000 0.605 300 N N -0.795 117.871 118.700 -0.057 0.000 2.494 300 N HA 0.150 4.891 4.740 0.003 0.000 0.182 300 N C 0.669 176.106 175.510 -0.122 0.000 1.076 300 N CA 0.897 53.891 53.050 -0.093 0.000 0.908 300 N CB 0.446 38.863 38.487 -0.116 0.000 0.967 300 N HN 0.638 nan 8.380 nan 0.000 0.449 301 C N 0.715 119.958 119.300 -0.095 0.000 2.340 301 C HA 0.372 4.834 4.460 0.003 0.000 0.323 301 C C -1.538 173.419 174.990 -0.055 0.000 1.260 301 C CA -2.085 56.880 59.018 -0.088 0.000 1.464 301 C CB 1.078 28.767 27.740 -0.086 0.000 2.156 301 C HN 0.208 nan 8.230 nan 0.000 0.476 302 P HA -0.085 nan 4.420 nan 0.000 0.219 302 P C 1.320 178.609 177.300 -0.018 0.000 1.146 302 P CA 1.363 64.447 63.100 -0.028 0.000 0.808 302 P CB 0.060 31.747 31.700 -0.023 0.000 0.779 303 L N -1.111 120.103 121.223 -0.015 0.000 2.291 303 L HA -0.027 4.315 4.340 0.003 0.000 0.214 303 L C 1.287 178.148 176.870 -0.014 0.000 1.120 303 L CA 0.370 55.209 54.840 -0.003 0.000 0.799 303 L CB -1.035 41.035 42.059 0.018 0.000 0.925 303 L HN 0.046 nan 8.230 nan 0.000 0.446 304 S N 0.489 116.174 115.700 -0.025 0.000 2.572 304 S HA 0.177 4.649 4.470 0.003 0.000 0.279 304 S C -0.145 174.438 174.600 -0.029 0.000 1.341 304 S CA -0.433 57.748 58.200 -0.032 0.000 1.043 304 S CB 1.031 64.208 63.200 -0.038 0.000 0.887 304 S HN 0.226 nan 8.310 nan 0.000 0.516 305 E N 2.071 122.251 120.200 -0.033 0.000 2.246 305 E HA 0.356 4.708 4.350 0.003 0.000 0.266 305 E C -2.871 173.711 176.600 -0.030 0.000 0.880 305 E CA -2.526 53.858 56.400 -0.027 0.000 0.762 305 E CB 1.782 31.468 29.700 -0.023 0.000 1.180 305 E HN 0.421 nan 8.360 nan 0.000 0.416 306 P HA -0.063 nan 4.420 nan 0.000 0.260 306 P C 0.666 177.962 177.300 -0.007 0.000 1.172 306 P CA 1.087 64.181 63.100 -0.011 0.000 0.760 306 P CB 0.326 32.023 31.700 -0.005 0.000 0.773 307 G N 1.792 110.593 108.800 0.003 0.000 2.155 307 G HA2 -0.274 3.687 3.960 0.003 0.000 0.257 307 G HA3 -0.274 3.687 3.960 0.003 0.000 0.257 307 G C 0.021 174.925 174.900 0.006 0.000 0.983 307 G CA 0.069 45.186 45.100 0.028 0.000 0.676 307 G HN 0.565 nan 8.290 nan 0.000 0.528 308 K N -0.743 119.629 120.400 -0.047 0.000 2.426 308 K HA 0.675 4.997 4.320 0.003 0.000 0.251 308 K C -0.433 176.098 176.600 -0.115 0.000 0.941 308 K CA -1.024 55.231 56.287 -0.054 0.000 0.808 308 K CB 1.915 34.396 32.500 -0.033 0.000 1.265 308 K HN 0.103 nan 8.250 nan 0.000 0.432 309 I N 2.505 123.025 120.570 -0.083 0.000 2.307 309 I HA 0.199 4.371 4.170 0.003 0.000 0.289 309 I C -0.488 175.609 176.117 -0.033 0.000 1.021 309 I CA -0.823 60.432 61.300 -0.075 0.000 1.224 309 I CB 1.542 39.521 38.000 -0.034 0.000 1.376 309 I HN 0.163 nan 8.210 nan 0.000 0.470 310 V N 8.173 128.067 119.914 -0.033 0.000 2.483 310 V HA 0.511 4.633 4.120 0.003 0.000 0.295 310 V C -0.346 175.741 176.094 -0.012 0.000 1.035 310 V CA -0.402 61.886 62.300 -0.021 0.000 0.896 310 V CB 2.151 33.961 31.823 -0.023 0.000 0.986 310 V HN 0.394 nan 8.190 nan 0.000 0.447 311 V N 6.941 126.847 119.914 -0.013 0.000 2.370 311 V HA 0.620 4.742 4.120 0.003 0.000 0.283 311 V C -0.111 175.961 176.094 -0.036 0.000 1.023 311 V CA -0.574 61.720 62.300 -0.009 0.000 0.857 311 V CB 1.353 33.173 31.823 -0.005 0.000 0.985 311 V HN 0.926 nan 8.190 nan 0.000 0.443 312 K N 2.503 122.884 120.400 -0.031 0.000 2.542 312 K HA 0.434 4.755 4.320 0.003 0.000 0.259 312 K C -0.328 176.240 176.600 -0.054 0.000 0.932 312 K CA -0.725 55.482 56.287 -0.134 0.000 0.820 312 K CB 0.998 33.405 32.500 -0.154 0.000 1.345 312 K HN 0.873 nan 8.250 nan 0.000 0.432 313 H N 1.069 120.139 119.070 -0.001 0.000 2.820 313 H HA -0.195 4.363 4.556 0.003 0.000 0.295 313 H C 0.638 175.970 175.328 0.006 0.000 1.187 313 H CA 1.263 57.311 56.048 0.000 0.000 1.144 313 H CB -1.471 28.289 29.762 -0.003 0.000 1.354 313 H HN 1.135 nan 8.280 nan 0.000 0.395 314 G N -1.069 107.769 108.800 0.062 0.000 2.168 314 G HA2 -0.294 3.668 3.960 0.003 0.000 0.263 314 G HA3 -0.294 3.668 3.960 0.003 0.000 0.263 314 G C 0.215 175.153 174.900 0.063 0.000 0.977 314 G CA 0.364 45.496 45.100 0.054 0.000 0.659 314 G HN 0.510 nan 8.290 nan 0.000 0.533 315 V N 0.745 120.701 119.914 0.071 0.000 2.448 315 V HA 0.418 4.539 4.120 0.003 0.000 0.295 315 V C 0.443 176.567 176.094 0.049 0.000 1.025 315 V CA -1.070 61.269 62.300 0.065 0.000 0.859 315 V CB 1.804 33.667 31.823 0.068 0.000 0.988 315 V HN 0.275 nan 8.190 nan 0.000 0.431 316 K N 4.751 125.181 120.400 0.049 0.000 2.349 316 K HA 0.451 4.773 4.320 0.003 0.000 0.288 316 K C -0.938 175.674 176.600 0.020 0.000 1.058 316 K CA -0.189 56.120 56.287 0.037 0.000 0.953 316 K CB 0.762 33.295 32.500 0.055 0.000 0.997 316 K HN 0.459 nan 8.250 nan 0.000 0.477 317 I N 3.815 124.386 120.570 0.002 0.000 2.330 317 I HA 0.084 4.256 4.170 0.003 0.000 0.286 317 I C -0.369 175.719 176.117 -0.048 0.000 1.025 317 I CA -0.587 60.703 61.300 -0.017 0.000 1.197 317 I CB 1.321 39.312 38.000 -0.014 0.000 1.358 317 I HN 0.186 nan 8.210 nan 0.000 0.467 318 V N 5.214 125.091 119.914 -0.063 0.000 2.407 318 V HA 0.653 4.775 4.120 0.003 0.000 0.278 318 V C 0.854 176.849 176.094 -0.166 0.000 1.037 318 V CA -0.362 61.847 62.300 -0.151 0.000 0.900 318 V CB 1.286 33.040 31.823 -0.115 0.000 0.983 318 V HN 0.893 nan 8.190 nan 0.000 0.459 319 G N 3.208 111.861 108.800 -0.245 0.000 4.855 319 G HA2 0.252 4.214 3.960 0.003 0.000 0.275 319 G HA3 0.252 4.214 3.960 0.003 0.000 0.275 319 G C -0.161 174.660 174.900 -0.131 0.000 1.282 319 G CA -0.462 44.555 45.100 -0.138 0.000 0.930 319 G HN 0.672 nan 8.290 nan 0.000 0.575 320 H N 1.329 120.401 119.070 0.004 0.000 2.815 320 H HA 0.181 4.739 4.556 0.003 0.000 0.350 320 H C 0.956 176.283 175.328 -0.003 0.000 1.080 320 H CA 0.707 56.753 56.048 -0.002 0.000 1.433 320 H CB 1.147 30.905 29.762 -0.007 0.000 1.432 320 H HN 0.417 nan 8.280 nan 0.000 0.592 321 T N -0.218 114.413 114.554 0.128 0.000 2.922 321 T HA 0.085 4.437 4.350 0.003 0.000 0.285 321 T C 0.660 175.390 174.700 0.052 0.000 1.005 321 T CA -1.013 61.126 62.100 0.065 0.000 1.061 321 T CB 0.845 69.735 68.868 0.036 0.000 1.007 321 T HN 0.633 nan 8.240 nan 0.000 0.502 322 N N 0.823 119.543 118.700 0.033 0.000 2.671 322 N HA -0.152 4.590 4.740 0.003 0.000 0.261 322 N C 0.649 176.168 175.510 0.016 0.000 1.053 322 N CA 0.660 53.721 53.050 0.019 0.000 0.732 322 N CB -1.428 37.058 38.487 -0.002 0.000 0.887 322 N HN 0.569 nan 8.380 nan 0.000 0.546 323 V N 0.932 120.866 119.914 0.033 0.000 2.427 323 V HA -0.123 3.999 4.120 0.003 0.000 0.248 323 V C -0.534 175.573 176.094 0.021 0.000 1.051 323 V CA 2.033 64.349 62.300 0.027 0.000 1.048 323 V CB -0.812 31.041 31.823 0.049 0.000 0.666 323 V HN 0.402 nan 8.190 nan 0.000 0.456 324 P HA -0.151 nan 4.420 nan 0.000 0.218 324 P C 1.973 179.276 177.300 0.006 0.000 1.148 324 P CA 1.792 64.911 63.100 0.031 0.000 0.822 324 P CB -0.076 31.651 31.700 0.044 0.000 0.784 325 S N -1.054 114.638 115.700 -0.013 0.000 2.515 325 S HA -0.049 4.422 4.470 0.003 0.000 0.231 325 S C 1.679 176.256 174.600 -0.038 0.000 0.987 325 S CA 0.538 58.718 58.200 -0.033 0.000 0.936 325 S CB -0.599 62.577 63.200 -0.041 0.000 0.766 325 S HN 0.058 nan 8.310 nan 0.000 0.528 326 R N 0.144 120.619 120.500 -0.041 0.000 2.280 326 R HA 0.088 4.430 4.340 0.003 0.000 0.207 326 R C 0.351 176.636 176.300 -0.025 0.000 1.043 326 R CA 0.674 56.737 56.100 -0.062 0.000 1.006 326 R CB 0.130 30.367 30.300 -0.105 0.000 0.885 326 R HN 0.291 nan 8.270 nan 0.000 0.467 327 V N -0.190 119.727 119.914 0.005 0.000 2.804 327 V HA 0.269 4.390 4.120 0.003 0.000 0.360 327 V C 1.118 177.214 176.094 0.003 0.000 1.282 327 V CA -0.037 62.278 62.300 0.025 0.000 1.274 327 V CB 0.580 32.443 31.823 0.067 0.000 1.415 327 V HN 0.167 nan 8.190 nan 0.000 0.610 328 A N 1.184 123.996 122.820 -0.013 0.000 1.978 328 A HA -0.086 4.236 4.320 0.003 0.000 0.220 328 A C 2.303 179.878 177.584 -0.016 0.000 1.170 328 A CA 2.240 54.264 52.037 -0.023 0.000 0.636 328 A CB -0.141 18.839 19.000 -0.034 0.000 0.810 328 A HN 0.804 nan 8.150 nan 0.000 0.448 329 A N -0.866 121.947 122.820 -0.012 0.000 2.016 329 A HA -0.038 4.284 4.320 0.003 0.000 0.217 329 A C 1.717 179.298 177.584 -0.006 0.000 1.162 329 A CA 1.623 53.655 52.037 -0.008 0.000 0.662 329 A CB -0.246 18.749 19.000 -0.009 0.000 0.812 329 A HN 0.417 nan 8.150 nan 0.000 0.450 330 D N -0.414 119.980 120.400 -0.011 0.000 2.216 330 D HA 0.164 4.805 4.640 0.003 0.000 0.208 330 D C 2.218 178.520 176.300 0.003 0.000 0.960 330 D CA 1.128 55.119 54.000 -0.015 0.000 0.861 330 D CB -0.216 40.558 40.800 -0.043 0.000 0.985 330 D HN 0.337 nan 8.370 nan 0.000 0.493 331 A N 0.513 123.340 122.820 0.011 0.000 1.933 331 A HA -0.140 4.182 4.320 0.003 0.000 0.218 331 A C 2.368 179.989 177.584 0.061 0.000 1.175 331 A CA 1.746 53.804 52.037 0.035 0.000 0.628 331 A CB -0.457 18.557 19.000 0.023 0.000 0.814 331 A HN 0.145 nan 8.150 nan 0.000 0.444 332 S N 0.259 115.977 115.700 0.029 0.000 2.355 332 S HA -0.060 4.412 4.470 0.003 0.000 0.222 332 S C -0.304 174.348 174.600 0.086 0.000 1.031 332 S CA 1.533 59.757 58.200 0.039 0.000 0.993 332 S CB -1.174 62.027 63.200 0.001 0.000 0.859 332 S HN 0.456 nan 8.310 nan 0.000 0.453 333 P HA -0.063 nan 4.420 nan 0.000 0.216 333 P C 1.268 178.603 177.300 0.058 0.000 1.150 333 P CA 0.971 64.106 63.100 0.058 0.000 0.837 333 P CB -0.144 31.575 31.700 0.032 0.000 0.786 334 L N -3.002 118.254 121.223 0.054 0.000 2.072 334 L HA -0.115 4.227 4.340 0.003 0.000 0.205 334 L C 2.422 179.309 176.870 0.029 0.000 1.079 334 L CA 1.142 56.000 54.840 0.030 0.000 0.752 334 L CB -0.888 41.184 42.059 0.021 0.000 0.906 334 L HN -0.094 nan 8.230 nan 0.000 0.436 335 F N 1.024 120.933 119.950 -0.069 0.000 2.102 335 F HA -0.241 4.287 4.527 0.003 0.000 0.298 335 F C 2.523 178.231 175.800 -0.154 0.000 1.105 335 F CA 1.427 59.364 58.000 -0.106 0.000 1.239 335 F CB -0.225 38.725 39.000 -0.083 0.000 0.991 335 F HN -0.004 nan 8.300 nan 0.000 0.474 336 A N -0.187 122.730 122.820 0.161 0.000 1.933 336 A HA -0.192 4.130 4.320 0.003 0.000 0.218 336 A C 2.261 179.815 177.584 -0.051 0.000 1.175 336 A CA 1.515 53.586 52.037 0.057 0.000 0.628 336 A CB -0.588 18.518 19.000 0.178 0.000 0.814 336 A HN 0.230 nan 8.150 nan 0.000 0.444 337 K N 0.239 120.624 120.400 -0.026 0.000 2.057 337 K HA -0.095 4.227 4.320 0.003 0.000 0.206 337 K C 1.689 178.222 176.600 -0.113 0.000 1.050 337 K CA 1.671 57.936 56.287 -0.036 0.000 0.935 337 K CB -0.696 31.794 32.500 -0.017 0.000 0.715 337 K HN 0.717 nan 8.250 nan 0.000 0.439 338 N N 0.409 118.987 118.700 -0.203 0.000 2.104 338 N HA -0.181 4.561 4.740 0.003 0.000 0.190 338 N C 1.639 176.961 175.510 -0.314 0.000 1.024 338 N CA 0.804 53.690 53.050 -0.273 0.000 0.853 338 N CB -0.083 38.150 38.487 -0.424 0.000 1.008 338 N HN -0.059 nan 8.380 nan 0.000 0.424 339 L N 0.636 121.549 121.223 -0.518 0.000 2.017 339 L HA -0.097 4.244 4.340 0.003 0.000 0.208 339 L C 2.094 178.726 176.870 -0.396 0.000 1.073 339 L CA 1.218 55.606 54.840 -0.753 0.000 0.745 339 L CB -0.985 40.096 42.059 -1.631 0.000 0.894 339 L HN 0.249 nan 8.230 nan 0.000 0.432 340 L N -0.356 120.762 121.223 -0.175 0.000 2.027 340 L HA -0.174 4.168 4.340 0.003 0.000 0.206 340 L C 2.224 179.158 176.870 0.107 0.000 1.074 340 L CA 1.607 56.567 54.840 0.200 0.000 0.745 340 L CB -0.757 41.434 42.059 0.220 0.000 0.898 340 L HN 0.314 nan 8.230 nan 0.000 0.433 341 N N -0.844 117.876 118.700 0.033 0.000 2.223 341 N HA -0.233 4.509 4.740 0.003 0.000 0.185 341 N C 1.777 177.314 175.510 0.046 0.000 1.016 341 N CA 1.624 54.686 53.050 0.021 0.000 0.863 341 N CB -0.523 37.961 38.487 -0.005 0.000 0.983 341 N HN 0.470 nan 8.380 nan 0.000 0.429 342 F N 1.468 121.372 119.950 -0.077 0.000 2.206 342 F HA 0.029 4.558 4.527 0.003 0.000 0.298 342 F C 2.033 177.869 175.800 0.061 0.000 1.090 342 F CA 0.634 58.607 58.000 -0.045 0.000 1.323 342 F CB -0.159 38.768 39.000 -0.121 0.000 1.028 342 F HN -0.059 nan 8.300 nan 0.000 0.492 343 L N -0.061 121.193 121.223 0.052 0.000 2.044 343 L HA -0.119 4.223 4.340 0.003 0.000 0.205 343 L C 2.069 178.963 176.870 0.040 0.000 1.075 343 L CA 2.202 57.095 54.840 0.089 0.000 0.747 343 L CB -1.377 40.916 42.059 0.390 0.000 0.903 343 L HN 0.165 nan 8.230 nan 0.000 0.435 344 T N 1.460 116.032 114.554 0.030 0.000 2.699 344 T HA -0.097 4.255 4.350 0.003 0.000 0.268 344 T C -0.587 174.051 174.700 -0.103 0.000 1.036 344 T CA 1.841 63.947 62.100 0.009 0.000 1.147 344 T CB -1.041 67.840 68.868 0.020 0.000 0.862 344 T HN 0.341 nan 8.240 nan 0.000 0.446 345 P HA -0.051 nan 4.420 nan 0.000 0.228 345 P C 0.814 177.810 177.300 -0.507 0.000 1.151 345 P CA 0.993 63.838 63.100 -0.425 0.000 0.770 345 P CB -0.047 31.296 31.700 -0.594 0.000 0.786 346 H N -2.519 116.491 119.070 -0.100 0.000 2.652 346 H HA 0.205 4.763 4.556 0.003 0.000 0.274 346 H C 0.256 175.567 175.328 -0.028 0.000 1.021 346 H CA -0.060 55.936 56.048 -0.087 0.000 1.187 346 H CB 0.374 30.042 29.762 -0.157 0.000 1.505 346 H HN -0.046 nan 8.280 nan 0.000 0.530 347 V N 3.018 122.977 119.914 0.075 0.000 2.439 347 V HA -0.039 4.083 4.120 0.003 0.000 0.271 347 V C 0.566 176.665 176.094 0.009 0.000 1.040 347 V CA -0.389 61.948 62.300 0.061 0.000 1.002 347 V CB 1.059 32.938 31.823 0.093 0.000 1.000 347 V HN 0.153 nan 8.190 nan 0.000 0.477 348 D N 4.901 125.299 120.400 -0.004 0.000 2.358 348 D HA 0.058 4.700 4.640 0.003 0.000 0.258 348 D C 0.997 177.274 176.300 -0.037 0.000 1.223 348 D CA -0.080 53.909 54.000 -0.019 0.000 0.886 348 D CB 1.099 41.889 40.800 -0.017 0.000 1.120 348 D HN 0.348 nan 8.370 nan 0.000 0.482 349 K N 2.807 123.188 120.400 -0.031 0.000 2.002 349 K HA -0.103 4.219 4.320 0.003 0.000 0.209 349 K C 0.182 176.754 176.600 -0.047 0.000 1.048 349 K CA 0.897 57.162 56.287 -0.036 0.000 0.930 349 K CB -0.286 32.199 32.500 -0.024 0.000 0.714 349 K HN 0.637 nan 8.250 nan 0.000 0.438 350 D N -1.071 119.306 120.400 -0.037 0.000 2.360 350 D HA -0.024 4.618 4.640 0.003 0.000 0.242 350 D C 0.294 176.567 176.300 -0.047 0.000 1.184 350 D CA 0.404 54.381 54.000 -0.039 0.000 0.930 350 D CB 0.118 40.901 40.800 -0.028 0.000 1.161 350 D HN 0.126 nan 8.370 nan 0.000 0.447 351 T N -0.353 114.173 114.554 -0.046 0.000 4.040 351 T HA -0.325 4.027 4.350 0.003 0.000 0.341 351 T C -0.152 174.507 174.700 -0.070 0.000 0.758 351 T CA 1.130 63.201 62.100 -0.049 0.000 1.893 351 T CB -1.544 67.303 68.868 -0.035 0.000 1.886 351 T HN 0.755 nan 8.240 nan 0.000 0.833 352 K N 1.601 121.942 120.400 -0.099 0.000 3.903 352 K HA -0.155 4.167 4.320 0.003 0.000 0.275 352 K C 0.446 176.952 176.600 -0.157 0.000 0.825 352 K CA 1.519 57.711 56.287 -0.159 0.000 0.684 352 K CB -1.547 30.857 32.500 -0.160 0.000 1.707 352 K HN 0.917 nan 8.250 nan 0.000 0.435 353 T N -2.352 112.125 114.554 -0.128 0.000 2.883 353 T HA 0.687 5.039 4.350 0.003 0.000 0.296 353 T C -0.964 173.707 174.700 -0.048 0.000 1.117 353 T CA -1.219 60.833 62.100 -0.080 0.000 1.006 353 T CB 1.891 70.737 68.868 -0.037 0.000 1.191 353 T HN 0.106 nan 8.240 nan 0.000 0.508 354 L N 1.717 122.945 121.223 0.008 0.000 2.319 354 L HA 0.728 5.069 4.340 0.003 0.000 0.281 354 L C -1.306 175.600 176.870 0.060 0.000 1.005 354 L CA -0.599 54.283 54.840 0.070 0.000 0.828 354 L CB 1.495 43.637 42.059 0.139 0.000 1.227 354 L HN 0.665 nan 8.230 nan 0.000 0.415 355 V N 6.287 126.239 119.914 0.062 0.000 2.340 355 V HA 0.354 4.476 4.120 0.003 0.000 0.277 355 V C -0.033 176.085 176.094 0.040 0.000 1.017 355 V CA -0.589 61.740 62.300 0.048 0.000 0.820 355 V CB 1.213 33.061 31.823 0.042 0.000 1.028 355 V HN 0.667 nan 8.190 nan 0.000 0.436 356 M N 4.610 124.186 119.600 -0.041 0.000 2.341 356 M HA 0.281 4.763 4.480 0.003 0.000 0.336 356 M C 0.322 176.555 176.300 -0.111 0.000 1.489 356 M CA -0.066 55.075 55.300 -0.264 0.000 1.278 356 M CB 0.050 32.496 32.600 -0.256 0.000 1.657 356 M HN 0.375 nan 8.290 nan 0.000 0.455 357 K N 3.608 123.997 120.400 -0.018 0.000 2.436 357 K HA 0.068 4.390 4.320 0.003 0.000 0.282 357 K C 0.890 177.510 176.600 0.034 0.000 1.044 357 K CA -0.165 56.155 56.287 0.055 0.000 1.028 357 K CB 1.065 33.638 32.500 0.121 0.000 0.919 357 K HN 0.521 nan 8.250 nan 0.000 0.474 358 L N 2.992 124.239 121.223 0.041 0.000 2.418 358 L HA -0.048 4.294 4.340 0.003 0.000 0.218 358 L C 1.534 178.434 176.870 0.050 0.000 1.125 358 L CA 1.269 56.138 54.840 0.049 0.000 0.835 358 L CB -0.819 41.267 42.059 0.045 0.000 0.953 358 L HN 0.551 nan 8.230 nan 0.000 0.454 359 E N -0.542 119.686 120.200 0.046 0.000 2.204 359 E HA -0.120 4.232 4.350 0.003 0.000 0.194 359 E C 0.774 177.405 176.600 0.051 0.000 0.989 359 E CA 0.200 56.625 56.400 0.042 0.000 0.824 359 E CB -0.099 29.621 29.700 0.034 0.000 0.756 359 E HN 0.246 nan 8.360 nan 0.000 0.477 360 D N 1.101 121.541 120.400 0.067 0.000 2.450 360 D HA -0.089 4.553 4.640 0.003 0.000 0.247 360 D C 0.767 177.121 176.300 0.089 0.000 1.162 360 D CA 0.298 54.348 54.000 0.084 0.000 0.879 360 D CB 0.822 41.702 40.800 0.135 0.000 1.163 360 D HN 0.136 nan 8.370 nan 0.000 0.472 361 E N 2.074 122.323 120.200 0.080 0.000 2.110 361 E HA -0.182 4.170 4.350 0.003 0.000 0.193 361 E C 1.383 178.053 176.600 0.117 0.000 0.988 361 E CA 0.966 57.416 56.400 0.083 0.000 0.804 361 E CB 0.262 29.999 29.700 0.061 0.000 0.745 361 E HN 0.460 nan 8.360 nan 0.000 0.458 362 T N -0.608 114.033 114.554 0.145 0.000 2.821 362 T HA -0.086 4.266 4.350 0.003 0.000 0.267 362 T C 1.692 176.588 174.700 0.326 0.000 1.046 362 T CA 1.131 63.366 62.100 0.226 0.000 1.139 362 T CB 0.027 69.053 68.868 0.262 0.000 0.871 362 T HN 0.026 nan 8.240 nan 0.000 0.454 363 V N 1.702 121.757 119.914 0.234 0.000 2.323 363 V HA -0.104 4.018 4.120 0.003 0.000 0.244 363 V C 2.797 179.051 176.094 0.266 0.000 1.041 363 V CA 2.017 64.446 62.300 0.215 0.000 1.025 363 V CB -0.724 31.109 31.823 0.018 0.000 0.656 363 V HN 0.651 nan 8.190 nan 0.000 0.451 364 S N 0.947 116.754 115.700 0.178 0.000 2.387 364 S HA -0.053 4.418 4.470 0.003 0.000 0.226 364 S C 2.095 176.790 174.600 0.158 0.000 1.026 364 S CA 1.250 59.538 58.200 0.146 0.000 0.972 364 S CB -0.843 62.411 63.200 0.090 0.000 0.814 364 S HN 0.517 nan 8.310 nan 0.000 0.477 365 G N 0.249 109.141 108.800 0.154 0.000 2.443 365 G HA2 -0.071 3.890 3.960 0.003 0.000 0.219 365 G HA3 -0.071 3.890 3.960 0.003 0.000 0.219 365 G C 1.444 176.464 174.900 0.200 0.000 1.131 365 G CA 1.274 46.471 45.100 0.163 0.000 0.775 365 G HN 0.553 nan 8.290 nan 0.000 0.547 366 T N -1.127 113.542 114.554 0.192 0.000 3.015 366 T HA 0.097 4.449 4.350 0.003 0.000 0.250 366 T C 1.119 175.928 174.700 0.182 0.000 1.057 366 T CA -0.183 61.997 62.100 0.133 0.000 1.066 366 T CB -0.306 68.582 68.868 0.033 0.000 0.959 366 T HN 0.199 nan 8.240 nan 0.000 0.488 367 C N 2.162 121.621 119.300 0.266 0.000 2.629 367 C HA 0.423 4.885 4.460 0.003 0.000 0.410 367 C C 1.898 176.917 174.990 0.048 0.000 1.339 367 C CA -0.376 58.688 59.018 0.077 0.000 1.810 367 C CB -0.463 27.326 27.740 0.082 0.000 2.549 367 C HN 0.338 nan 8.230 nan 0.000 0.589 368 V N 4.313 124.189 119.914 -0.064 0.000 2.908 368 V HA 0.228 4.350 4.120 0.003 0.000 0.240 368 V C 1.124 177.206 176.094 -0.019 0.000 1.117 368 V CA 1.391 63.677 62.300 -0.023 0.000 1.133 368 V CB 0.376 32.153 31.823 -0.077 0.000 0.857 368 V HN 0.923 nan 8.190 nan 0.000 0.478 369 T N -0.048 114.458 114.554 -0.081 0.000 2.883 369 T HA 0.673 5.025 4.350 0.003 0.000 0.301 369 T C -1.304 173.333 174.700 -0.106 0.000 1.158 369 T CA -0.672 61.390 62.100 -0.063 0.000 1.007 369 T CB 2.018 70.860 68.868 -0.044 0.000 1.186 369 T HN 0.318 nan 8.240 nan 0.000 0.499 370 R N 2.304 122.766 120.500 -0.064 0.000 2.522 370 R HA 0.402 4.744 4.340 0.003 0.000 0.273 370 R C -1.175 175.111 176.300 -0.023 0.000 1.133 370 R CA -0.262 55.803 56.100 -0.060 0.000 0.969 370 R CB 0.747 31.015 30.300 -0.054 0.000 1.235 370 R HN 0.777 nan 8.270 nan 0.000 0.433 371 D N 3.304 123.696 120.400 -0.013 0.000 2.837 371 D HA -0.179 4.463 4.640 0.003 0.000 0.230 371 D C 0.520 176.820 176.300 -0.000 0.000 1.152 371 D CA 2.159 56.160 54.000 0.000 0.000 0.736 371 D CB -1.055 39.750 40.800 0.007 0.000 1.084 371 D HN 1.125 nan 8.370 nan 0.000 0.429 372 G N -1.572 107.225 108.800 -0.005 0.000 2.132 372 G HA2 0.131 4.093 3.960 0.003 0.000 0.228 372 G HA3 0.131 4.093 3.960 0.003 0.000 0.228 372 G C 0.162 175.061 174.900 -0.003 0.000 1.000 372 G CA 0.342 45.441 45.100 -0.003 0.000 0.693 372 G HN 1.387 nan 8.290 nan 0.000 0.515 373 A N -0.389 122.428 122.820 -0.006 0.000 2.459 373 A HA 0.755 5.077 4.320 0.003 0.000 0.296 373 A C -0.106 177.476 177.584 -0.004 0.000 1.039 373 A CA -0.635 51.401 52.037 -0.003 0.000 0.698 373 A CB 1.114 20.114 19.000 0.000 0.000 1.261 373 A HN 0.774 nan 8.150 nan 0.000 0.405 374 I N 2.851 123.422 120.570 0.002 0.000 2.598 374 I HA 0.061 4.232 4.170 0.003 0.000 0.284 374 I C 0.934 177.062 176.117 0.018 0.000 1.140 374 I CA 0.146 61.452 61.300 0.009 0.000 1.420 374 I CB 1.150 39.160 38.000 0.015 0.000 1.387 374 I HN 0.467 nan 8.210 nan 0.000 0.553 375 V N 5.403 125.334 119.914 0.028 0.000 3.085 375 V HA -0.035 4.087 4.120 0.003 0.000 0.245 375 V C 1.070 177.194 176.094 0.051 0.000 1.114 375 V CA 0.379 62.697 62.300 0.030 0.000 1.108 375 V CB -0.307 31.528 31.823 0.020 0.000 0.798 375 V HN 0.658 nan 8.190 nan 0.000 0.471 376 H N 1.574 120.639 119.070 -0.008 0.000 2.848 376 H HA 0.089 4.647 4.556 0.003 0.000 0.317 376 H C -1.589 173.740 175.328 0.003 0.000 1.046 376 H CA -1.444 54.604 56.048 0.001 0.000 1.470 376 H CB 1.951 31.713 29.762 -0.001 0.000 1.483 376 H HN 0.077 nan 8.280 nan 0.000 0.548 377 P HA -0.203 nan 4.420 nan 0.000 0.216 377 P C 1.068 178.358 177.300 -0.017 0.000 1.154 377 P CA 2.140 65.155 63.100 -0.143 0.000 0.865 377 P CB 0.082 31.653 31.700 -0.215 0.000 0.789 378 A N -1.495 121.377 122.820 0.087 0.000 2.067 378 A HA -0.079 4.242 4.320 0.003 0.000 0.219 378 A C 2.038 179.695 177.584 0.122 0.000 1.158 378 A CA 1.219 53.346 52.037 0.150 0.000 0.661 378 A CB -1.238 17.904 19.000 0.238 0.000 0.801 378 A HN 0.178 nan 8.150 nan 0.000 0.452 379 L N -0.140 121.169 121.223 0.143 0.000 2.590 379 L HA 0.077 4.419 4.340 0.003 0.000 0.227 379 L C 0.871 177.771 176.870 0.050 0.000 1.099 379 L CA 0.297 55.185 54.840 0.081 0.000 0.872 379 L CB -0.221 41.884 42.059 0.076 0.000 1.088 379 L HN 0.348 nan 8.230 nan 0.000 0.479 380 T N -0.955 113.626 114.554 0.045 0.000 2.900 380 T HA 0.370 4.722 4.350 0.003 0.000 0.307 380 T C 0.775 175.486 174.700 0.018 0.000 1.065 380 T CA -0.242 61.873 62.100 0.024 0.000 1.105 380 T CB 1.449 70.325 68.868 0.014 0.000 0.979 380 T HN 0.163 nan 8.240 nan 0.000 0.544 381 G N 0.000 108.807 108.800 0.012 0.000 5.446 381 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 381 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 381 G CA 0.000 45.106 45.100 0.010 0.000 0.502 381 G HN 0.000 nan 8.290 nan 0.000 0.925