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 2oo5_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 VDDEAMKTAE TAGGYAKEMG EEFRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPALT 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 0.000 176.357 176.300 0.096 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.505 32.600 -0.159 0.000 1.302 2 K N 4.389 124.862 120.400 0.122 0.000 2.206 2 K HA 0.690 5.010 4.320 -0.000 0.000 0.264 2 K C -1.220 175.442 176.600 0.104 0.000 0.967 2 K CA -0.594 55.760 56.287 0.112 0.000 0.844 2 K CB 2.368 34.898 32.500 0.050 0.000 1.099 2 K HN 0.670 nan 8.250 nan 0.000 0.441 3 I N 1.692 122.270 120.570 0.013 0.000 2.441 3 I HA 0.532 4.702 4.170 -0.000 0.000 0.295 3 I C -1.258 174.752 176.117 -0.179 0.000 0.994 3 I CA -0.468 60.705 61.300 -0.212 0.000 1.144 3 I CB 1.368 38.967 38.000 -0.669 0.000 1.314 3 I HN 0.730 nan 8.210 nan 0.000 0.445 4 A N 7.678 130.411 122.820 -0.146 0.000 2.371 4 A HA 0.825 5.145 4.320 -0.000 0.000 0.311 4 A C -1.336 176.237 177.584 -0.019 0.000 1.068 4 A CA -0.443 51.557 52.037 -0.061 0.000 0.744 4 A CB 1.127 20.120 19.000 -0.012 0.000 1.239 4 A HN 0.569 nan 8.150 nan 0.000 0.435 5 I N 3.810 124.387 120.570 0.011 0.000 2.439 5 I HA 0.455 4.625 4.170 -0.000 0.000 0.285 5 I C -2.338 173.808 176.117 0.049 0.000 1.021 5 I CA -1.604 59.739 61.300 0.072 0.000 1.091 5 I CB 2.337 40.399 38.000 0.103 0.000 1.242 5 I HN 0.441 nan 8.210 nan 0.000 0.439 6 P HA 0.287 nan 4.420 nan 0.000 0.284 6 P C -0.956 176.355 177.300 0.020 0.000 1.287 6 P CA -0.937 62.181 63.100 0.030 0.000 0.824 6 P CB 1.073 32.790 31.700 0.029 0.000 1.180 7 K N 0.700 121.105 120.400 0.008 0.000 2.326 7 K HA 0.078 4.398 4.320 -0.000 0.000 0.275 7 K C 0.173 176.766 176.600 -0.010 0.000 1.018 7 K CA -0.219 56.066 56.287 -0.003 0.000 0.962 7 K CB 0.236 32.733 32.500 -0.004 0.000 0.953 7 K HN 0.300 nan 8.250 nan 0.000 0.475 8 E N 3.723 123.907 120.200 -0.026 0.000 2.324 8 E HA -0.007 4.343 4.350 -0.000 0.000 0.271 8 E C 0.441 177.024 176.600 -0.027 0.000 1.028 8 E CA 0.126 56.504 56.400 -0.036 0.000 0.890 8 E CB 0.943 30.604 29.700 -0.064 0.000 1.004 8 E HN 0.519 nan 8.360 nan 0.000 0.431 9 R N 2.217 122.705 120.500 -0.021 0.000 2.237 9 R HA 0.107 4.447 4.340 -0.000 0.000 0.195 9 R C 0.579 176.868 176.300 -0.017 0.000 0.956 9 R CA 0.028 56.119 56.100 -0.015 0.000 1.029 9 R CB 0.302 30.598 30.300 -0.008 0.000 0.972 9 R HN 0.317 nan 8.270 nan 0.000 0.493 10 R N 1.967 122.453 120.500 -0.023 0.000 2.643 10 R HA 0.115 4.455 4.340 -0.000 0.000 0.270 10 R C -2.198 174.087 176.300 -0.025 0.000 1.061 10 R CA -1.385 54.701 56.100 -0.023 0.000 1.107 10 R CB -0.087 30.196 30.300 -0.029 0.000 0.999 10 R HN -0.079 nan 8.270 nan 0.000 0.460 11 P HA 0.101 nan 4.420 nan 0.000 0.276 11 P C 0.482 177.769 177.300 -0.021 0.000 1.230 11 P CA 0.200 63.289 63.100 -0.018 0.000 0.776 11 P CB 1.139 32.832 31.700 -0.011 0.000 0.888 12 G N 1.858 110.644 108.800 -0.023 0.000 2.299 12 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.237 12 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.237 12 G C 0.315 175.190 174.900 -0.043 0.000 1.027 12 G CA -0.035 45.048 45.100 -0.029 0.000 0.619 12 G HN 0.616 nan 8.290 nan 0.000 0.513 13 E N 1.888 122.059 120.200 -0.048 0.000 2.029 13 E HA 0.459 4.809 4.350 -0.000 0.000 0.276 13 E C 0.487 177.049 176.600 -0.064 0.000 1.163 13 E CA -0.051 56.310 56.400 -0.066 0.000 0.909 13 E CB 0.335 29.989 29.700 -0.076 0.000 1.046 13 E HN 0.273 nan 8.360 nan 0.000 0.406 14 D N 3.550 123.910 120.400 -0.065 0.000 2.349 14 D HA 0.057 4.697 4.640 -0.000 0.000 0.214 14 D C 0.160 176.420 176.300 -0.065 0.000 1.063 14 D CA 0.114 54.080 54.000 -0.057 0.000 0.847 14 D CB 0.261 41.031 40.800 -0.050 0.000 0.933 14 D HN 0.308 nan 8.370 nan 0.000 0.513 15 R N 0.118 120.562 120.500 -0.094 0.000 2.649 15 R HA 0.505 4.845 4.340 -0.000 0.000 0.270 15 R C -0.325 175.904 176.300 -0.118 0.000 1.105 15 R CA -0.349 55.681 56.100 -0.117 0.000 1.193 15 R CB 1.360 31.548 30.300 -0.187 0.000 1.120 15 R HN -0.145 nan 8.270 nan 0.000 0.561 16 V N -0.398 119.449 119.914 -0.112 0.000 3.012 16 V HA 0.459 4.579 4.120 -0.000 0.000 0.307 16 V C -1.112 174.953 176.094 -0.048 0.000 1.166 16 V CA -0.522 61.735 62.300 -0.072 0.000 0.974 16 V CB 2.169 33.984 31.823 -0.014 0.000 1.040 16 V HN 0.869 nan 8.190 nan 0.000 0.428 17 A N 5.655 128.486 122.820 0.017 0.000 3.197 17 A HA 0.714 5.034 4.320 -0.000 0.000 0.263 17 A C -0.368 177.396 177.584 0.300 0.000 1.524 17 A CA 0.134 52.276 52.037 0.177 0.000 1.176 17 A CB -0.831 18.310 19.000 0.235 0.000 1.096 17 A HN 1.019 nan 8.150 nan 0.000 0.655 18 I N -0.720 119.978 120.570 0.214 0.000 2.897 18 I HA 0.496 4.666 4.170 -0.000 0.000 0.299 18 I C -0.640 175.561 176.117 0.139 0.000 1.527 18 I CA 0.233 61.666 61.300 0.222 0.000 0.979 18 I CB 2.198 40.298 38.000 0.168 0.000 1.360 18 I HN 0.254 nan 8.210 nan 0.000 0.495 19 S N 4.436 120.213 115.700 0.129 0.000 2.607 19 S HA 0.706 5.176 4.470 -0.000 0.000 0.273 19 S C -2.687 171.954 174.600 0.070 0.000 1.148 19 S CA -1.164 57.086 58.200 0.084 0.000 0.833 19 S CB 1.978 65.225 63.200 0.077 0.000 1.130 19 S HN 0.395 nan 8.310 nan 0.000 0.470 20 P HA -0.092 nan 4.420 nan 0.000 0.216 20 P C 1.347 178.672 177.300 0.042 0.000 1.150 20 P CA 1.186 64.309 63.100 0.038 0.000 0.837 20 P CB 0.102 31.819 31.700 0.028 0.000 0.786 21 E N -0.276 119.951 120.200 0.045 0.000 2.077 21 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 21 E C 1.726 178.362 176.600 0.060 0.000 0.989 21 E CA 1.218 57.645 56.400 0.046 0.000 0.800 21 E CB -0.225 29.500 29.700 0.042 0.000 0.746 21 E HN -0.006 nan 8.360 nan 0.000 0.452 22 V N 0.490 120.455 119.914 0.084 0.000 2.667 22 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 22 V C 2.348 178.494 176.094 0.086 0.000 1.065 22 V CA 0.795 63.166 62.300 0.119 0.000 1.083 22 V CB 0.091 32.035 31.823 0.200 0.000 0.692 22 V HN 0.156 nan 8.190 nan 0.000 0.468 23 V N 1.612 121.561 119.914 0.058 0.000 2.233 23 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 23 V C 2.577 178.685 176.094 0.023 0.000 1.050 23 V CA 2.646 64.958 62.300 0.020 0.000 1.010 23 V CB -0.810 31.025 31.823 0.019 0.000 0.637 23 V HN 0.767 nan 8.190 nan 0.000 0.444 24 K N -0.262 120.157 120.400 0.033 0.000 2.211 24 K HA -0.170 4.150 4.320 -0.000 0.000 0.203 24 K C 2.053 178.679 176.600 0.044 0.000 1.050 24 K CA 1.155 57.462 56.287 0.034 0.000 0.945 24 K CB -0.272 32.245 32.500 0.029 0.000 0.732 24 K HN 0.257 nan 8.250 nan 0.000 0.451 25 K N 1.365 121.797 120.400 0.054 0.000 2.057 25 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 25 K C 2.238 178.891 176.600 0.089 0.000 1.049 25 K CA 1.117 57.444 56.287 0.067 0.000 0.931 25 K CB -0.358 32.189 32.500 0.079 0.000 0.714 25 K HN 0.240 nan 8.250 nan 0.000 0.440 26 L N 0.712 121.979 121.223 0.074 0.000 2.083 26 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 26 L C 2.447 179.429 176.870 0.186 0.000 1.083 26 L CA 0.696 55.598 54.840 0.103 0.000 0.752 26 L CB -0.494 41.489 42.059 -0.127 0.000 0.899 26 L HN -0.114 nan 8.230 nan 0.000 0.433 27 V N 0.129 120.102 119.914 0.097 0.000 2.407 27 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 27 V C 2.592 178.724 176.094 0.063 0.000 1.055 27 V CA 1.994 64.341 62.300 0.078 0.000 1.049 27 V CB -1.203 30.646 31.823 0.043 0.000 0.662 27 V HN 0.580 nan 8.190 nan 0.000 0.455 28 G N -0.344 108.491 108.800 0.059 0.000 2.422 28 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 28 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 28 G C 1.400 176.324 174.900 0.040 0.000 1.146 28 G CA 0.585 45.710 45.100 0.042 0.000 0.769 28 G HN 0.416 nan 8.290 nan 0.000 0.547 29 L N 0.394 121.665 121.223 0.079 0.000 2.376 29 L HA 0.255 4.595 4.340 -0.000 0.000 0.219 29 L C 2.262 179.103 176.870 -0.049 0.000 1.133 29 L CA 1.348 56.225 54.840 0.062 0.000 0.816 29 L CB -0.288 41.886 42.059 0.191 0.000 0.933 29 L HN 0.463 nan 8.230 nan 0.000 0.449 30 G N -2.946 105.836 108.800 -0.029 0.000 2.205 30 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.180 30 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.180 30 G C 0.303 175.119 174.900 -0.140 0.000 1.004 30 G CA -0.529 44.507 45.100 -0.108 0.000 0.670 30 G HN 0.125 nan 8.290 nan 0.000 0.496 31 F N 1.652 121.575 119.950 -0.045 0.000 2.450 31 F HA 0.459 4.986 4.527 -0.000 0.000 0.339 31 F C 1.146 176.911 175.800 -0.058 0.000 1.146 31 F CA 0.136 58.098 58.000 -0.064 0.000 1.267 31 F CB 0.606 39.541 39.000 -0.108 0.000 1.178 31 F HN 0.025 nan 8.300 nan 0.000 0.585 32 E N 1.518 121.809 120.200 0.151 0.000 2.089 32 E HA 0.290 4.640 4.350 -0.000 0.000 0.284 32 E C -1.068 175.562 176.600 0.050 0.000 1.023 32 E CA -0.535 55.908 56.400 0.073 0.000 0.819 32 E CB 1.219 30.944 29.700 0.041 0.000 1.076 32 E HN 0.228 nan 8.360 nan 0.000 0.396 33 V N 5.742 125.663 119.914 0.010 0.000 2.432 33 V HA 0.234 4.354 4.120 -0.000 0.000 0.271 33 V C 0.228 176.301 176.094 -0.036 0.000 1.046 33 V CA -0.180 62.088 62.300 -0.053 0.000 0.945 33 V CB 0.239 32.019 31.823 -0.071 0.000 0.992 33 V HN 0.567 nan 8.190 nan 0.000 0.471 34 I N 5.053 125.595 120.570 -0.046 0.000 2.493 34 I HA 0.672 4.842 4.170 -0.000 0.000 0.298 34 I C -0.466 175.637 176.117 -0.024 0.000 0.998 34 I CA -0.733 60.552 61.300 -0.024 0.000 1.137 34 I CB 2.121 40.112 38.000 -0.014 0.000 1.310 34 I HN 0.400 nan 8.210 nan 0.000 0.445 35 V N 5.387 125.297 119.914 -0.008 0.000 2.888 35 V HA 0.320 4.440 4.120 -0.000 0.000 0.309 35 V C -0.571 175.527 176.094 0.006 0.000 1.114 35 V CA -0.435 61.867 62.300 0.003 0.000 0.940 35 V CB 2.163 33.990 31.823 0.008 0.000 1.021 35 V HN 0.862 nan 8.190 nan 0.000 0.426 36 E N 3.782 123.988 120.200 0.010 0.000 2.398 36 E HA 0.237 4.587 4.350 -0.000 0.000 0.263 36 E C -0.070 176.534 176.600 0.007 0.000 1.046 36 E CA -0.399 56.006 56.400 0.008 0.000 0.908 36 E CB 0.813 30.519 29.700 0.009 0.000 0.963 36 E HN 0.788 nan 8.360 nan 0.000 0.431 37 Q N 2.349 122.151 119.800 0.005 0.000 2.337 37 Q HA 0.230 4.570 4.340 -0.000 0.000 0.270 37 Q C 0.661 176.663 176.000 0.003 0.000 1.002 37 Q CA 0.182 55.987 55.803 0.004 0.000 0.888 37 Q CB 0.770 29.510 28.738 0.003 0.000 1.222 37 Q HN 0.801 nan 8.270 nan 0.000 0.400 38 G N 1.781 110.582 108.800 0.002 0.000 2.153 38 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.252 38 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.252 38 G C 0.726 175.625 174.900 -0.002 0.000 0.994 38 G CA 0.371 45.471 45.100 -0.000 0.000 0.698 38 G HN 1.095 nan 8.290 nan 0.000 0.521 39 A N -0.268 122.553 122.820 0.002 0.000 1.969 39 A HA 0.430 4.750 4.320 -0.000 0.000 0.218 39 A C 2.361 179.943 177.584 -0.003 0.000 1.169 39 A CA 2.170 54.207 52.037 0.001 0.000 0.635 39 A CB -0.234 18.771 19.000 0.009 0.000 0.810 39 A HN 1.611 nan 8.150 nan 0.000 0.445 40 G N -1.238 107.562 108.800 0.001 0.000 3.502 40 G HA2 0.340 4.300 3.960 -0.000 0.000 0.267 40 G HA3 0.340 4.300 3.960 -0.000 0.000 0.267 40 G C 0.889 175.786 174.900 -0.004 0.000 1.090 40 G CA 0.581 45.681 45.100 -0.000 0.000 0.795 40 G HN 0.174 nan 8.290 nan 0.000 0.535 41 V N 1.129 121.039 119.914 -0.007 0.000 2.427 41 V HA -0.048 4.072 4.120 -0.000 0.000 0.248 41 V C 2.941 179.027 176.094 -0.012 0.000 1.051 41 V CA 2.272 64.567 62.300 -0.008 0.000 1.048 41 V CB -0.470 31.349 31.823 -0.007 0.000 0.666 41 V HN 0.396 nan 8.190 nan 0.000 0.456 42 G N -0.648 108.142 108.800 -0.018 0.000 2.534 42 G HA2 0.014 3.974 3.960 -0.000 0.000 0.217 42 G HA3 0.014 3.974 3.960 -0.000 0.000 0.217 42 G C 1.169 176.054 174.900 -0.024 0.000 1.128 42 G CA 0.746 45.832 45.100 -0.024 0.000 0.784 42 G HN 0.624 nan 8.290 nan 0.000 0.542 43 A N -0.192 122.616 122.820 -0.020 0.000 2.545 43 A HA 0.561 4.881 4.320 -0.000 0.000 0.277 43 A C 1.276 178.855 177.584 -0.008 0.000 1.301 43 A CA 0.689 52.717 52.037 -0.016 0.000 0.935 43 A CB -0.128 18.862 19.000 -0.016 0.000 1.093 43 A HN 0.541 nan 8.150 nan 0.000 0.519 44 S N -0.882 114.813 115.700 -0.008 0.000 3.614 44 S HA -0.171 4.299 4.470 -0.000 0.000 0.360 44 S C -0.060 174.540 174.600 0.001 0.000 1.023 44 S CA 1.197 59.395 58.200 -0.004 0.000 1.114 44 S CB -1.846 61.351 63.200 -0.004 0.000 0.907 44 S HN 0.619 nan 8.310 nan 0.000 0.470 45 I N 2.073 122.645 120.570 0.003 0.000 2.437 45 I HA 0.240 4.410 4.170 -0.000 0.000 0.279 45 I C 0.811 176.932 176.117 0.007 0.000 1.028 45 I CA -0.417 60.888 61.300 0.008 0.000 1.142 45 I CB 1.558 39.566 38.000 0.015 0.000 1.266 45 I HN 0.270 nan 8.210 nan 0.000 0.461 46 T N -0.050 114.508 114.554 0.007 0.000 2.868 46 T HA 0.144 4.494 4.350 -0.000 0.000 0.292 46 T C 0.844 175.549 174.700 0.007 0.000 1.028 46 T CA -0.619 61.484 62.100 0.005 0.000 1.059 46 T CB 1.341 70.211 68.868 0.005 0.000 0.991 46 T HN 0.405 nan 8.240 nan 0.000 0.531 47 D N 0.943 121.346 120.400 0.006 0.000 2.144 47 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 47 D C 1.506 177.810 176.300 0.007 0.000 0.984 47 D CA 1.209 55.213 54.000 0.007 0.000 0.834 47 D CB -0.208 40.595 40.800 0.005 0.000 0.955 47 D HN 0.622 nan 8.370 nan 0.000 0.465 48 D N 0.602 121.006 120.400 0.006 0.000 2.144 48 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 48 D C 2.014 178.319 176.300 0.008 0.000 0.984 48 D CA 1.189 55.192 54.000 0.006 0.000 0.834 48 D CB -0.269 40.534 40.800 0.005 0.000 0.955 48 D HN 0.146 nan 8.370 nan 0.000 0.465 49 A N 0.163 122.989 122.820 0.009 0.000 1.930 49 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 49 A C 2.266 179.858 177.584 0.014 0.000 1.175 49 A CA 0.821 52.865 52.037 0.011 0.000 0.627 49 A CB -0.617 18.390 19.000 0.012 0.000 0.815 49 A HN 0.210 nan 8.150 nan 0.000 0.443 50 L N -0.935 120.297 121.223 0.014 0.000 2.072 50 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 50 L C 2.738 179.615 176.870 0.011 0.000 1.079 50 L CA 1.608 56.456 54.840 0.015 0.000 0.752 50 L CB -0.872 41.196 42.059 0.015 0.000 0.906 50 L HN 0.304 nan 8.230 nan 0.000 0.436 51 T N 0.077 114.636 114.554 0.009 0.000 2.746 51 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 51 T C 2.040 176.745 174.700 0.008 0.000 1.039 51 T CA 1.340 63.444 62.100 0.008 0.000 1.142 51 T CB -0.249 68.623 68.868 0.006 0.000 0.866 51 T HN 0.426 nan 8.240 nan 0.000 0.444 52 A N 1.436 124.261 122.820 0.009 0.000 1.933 52 A HA 0.183 4.503 4.320 -0.000 0.000 0.218 52 A C 2.607 180.197 177.584 0.011 0.000 1.175 52 A CA 1.696 53.739 52.037 0.009 0.000 0.628 52 A CB -0.991 18.014 19.000 0.009 0.000 0.814 52 A HN 0.507 nan 8.150 nan 0.000 0.444 53 A N -1.995 120.833 122.820 0.013 0.000 2.067 53 A HA 0.330 4.650 4.320 -0.000 0.000 0.219 53 A C 1.860 179.453 177.584 0.015 0.000 1.158 53 A CA 1.820 53.866 52.037 0.016 0.000 0.661 53 A CB -0.646 18.366 19.000 0.020 0.000 0.801 53 A HN 1.818 nan 8.150 nan 0.000 0.452 54 G N -3.262 105.545 108.800 0.012 0.000 2.234 54 G HA2 0.288 4.248 3.960 -0.000 0.000 0.153 54 G HA3 0.288 4.248 3.960 -0.000 0.000 0.153 54 G C 0.262 175.167 174.900 0.008 0.000 1.013 54 G CA 0.112 45.218 45.100 0.011 0.000 0.712 54 G HN 1.332 nan 8.290 nan 0.000 0.491 55 A N 0.154 122.977 122.820 0.006 0.000 2.271 55 A HA 0.800 5.120 4.320 -0.000 0.000 0.288 55 A C 0.535 178.120 177.584 0.002 0.000 1.094 55 A CA 0.616 52.653 52.037 0.000 0.000 0.828 55 A CB 0.570 19.569 19.000 -0.002 0.000 1.091 55 A HN 0.641 nan 8.150 nan 0.000 0.493 56 T N 2.425 116.979 114.554 -0.000 0.000 2.799 56 T HA 0.445 4.795 4.350 -0.000 0.000 0.286 56 T C 0.053 174.754 174.700 0.001 0.000 0.973 56 T CA -0.196 61.905 62.100 0.001 0.000 1.035 56 T CB 0.433 69.302 68.868 0.002 0.000 0.932 56 T HN 0.356 nan 8.240 nan 0.000 0.469 57 I N 2.806 123.378 120.570 0.003 0.000 2.395 57 I HA 0.532 4.702 4.170 -0.000 0.000 0.289 57 I C 0.593 176.712 176.117 0.003 0.000 1.023 57 I CA -0.903 60.399 61.300 0.003 0.000 1.350 57 I CB 0.459 38.462 38.000 0.004 0.000 1.409 57 I HN 0.682 nan 8.210 nan 0.000 0.507 58 A N 4.390 127.212 122.820 0.004 0.000 2.340 58 A HA 0.574 4.894 4.320 -0.000 0.000 0.331 58 A C 0.907 178.494 177.584 0.004 0.000 1.140 58 A CA -0.405 51.635 52.037 0.004 0.000 0.801 58 A CB 1.147 20.150 19.000 0.005 0.000 1.234 58 A HN 0.715 nan 8.150 nan 0.000 0.469 59 S N -0.083 115.619 115.700 0.004 0.000 2.383 59 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 59 S C 1.168 175.770 174.600 0.004 0.000 1.026 59 S CA 1.659 59.861 58.200 0.004 0.000 0.981 59 S CB -0.255 62.947 63.200 0.003 0.000 0.818 59 S HN 1.136 nan 8.310 nan 0.000 0.472 60 T N -2.312 112.245 114.554 0.005 0.000 2.864 60 T HA 0.797 5.147 4.350 -0.000 0.000 0.289 60 T C 0.948 175.651 174.700 0.007 0.000 1.082 60 T CA -0.303 61.800 62.100 0.005 0.000 1.009 60 T CB 1.575 70.446 68.868 0.005 0.000 1.234 60 T HN -0.048 nan 8.240 nan 0.000 0.526 61 A N 0.529 123.354 122.820 0.007 0.000 1.873 61 A HA 0.336 4.656 4.320 -0.000 0.000 0.215 61 A C 2.582 180.172 177.584 0.011 0.000 1.186 61 A CA 1.761 53.804 52.037 0.010 0.000 0.616 61 A CB -1.559 17.447 19.000 0.010 0.000 0.823 61 A HN 1.318 nan 8.150 nan 0.000 0.442 62 A N -0.487 122.339 122.820 0.010 0.000 1.908 62 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 62 A C 2.117 179.707 177.584 0.010 0.000 1.181 62 A CA 1.798 53.841 52.037 0.010 0.000 0.627 62 A CB -0.632 18.373 19.000 0.009 0.000 0.818 62 A HN 0.662 nan 8.150 nan 0.000 0.445 63 Q N -0.883 118.923 119.800 0.009 0.000 2.167 63 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 63 Q C 2.358 178.363 176.000 0.009 0.000 0.970 63 Q CA 1.144 56.952 55.803 0.008 0.000 0.855 63 Q CB -0.322 28.419 28.738 0.007 0.000 0.911 63 Q HN 0.702 nan 8.270 nan 0.000 0.438 64 A N 0.272 123.097 122.820 0.009 0.000 1.897 64 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 64 A C 1.727 179.318 177.584 0.011 0.000 1.181 64 A CA 1.021 53.063 52.037 0.009 0.000 0.620 64 A CB -0.078 18.927 19.000 0.009 0.000 0.821 64 A HN 0.238 nan 8.150 nan 0.000 0.443 65 L N 0.609 121.841 121.223 0.015 0.000 2.607 65 L HA 0.037 4.377 4.340 -0.000 0.000 0.228 65 L C 2.497 179.379 176.870 0.020 0.000 1.123 65 L CA 1.223 56.076 54.840 0.021 0.000 0.890 65 L CB -0.157 41.918 42.059 0.026 0.000 1.103 65 L HN 0.519 nan 8.230 nan 0.000 0.468 66 S N -0.548 115.162 115.700 0.017 0.000 2.368 66 S HA -0.321 4.149 4.470 -0.000 0.000 0.226 66 S C 1.769 176.381 174.600 0.019 0.000 1.044 66 S CA 1.589 59.799 58.200 0.016 0.000 1.062 66 S CB -0.325 62.882 63.200 0.013 0.000 0.931 66 S HN 0.593 nan 8.310 nan 0.000 0.440 67 Q N 0.299 120.110 119.800 0.019 0.000 2.171 67 Q HA 0.552 4.892 4.340 -0.000 0.000 0.218 67 Q C -0.433 175.583 176.000 0.026 0.000 0.822 67 Q CA 0.039 55.854 55.803 0.020 0.000 0.987 67 Q CB 1.130 29.877 28.738 0.016 0.000 1.144 67 Q HN 0.663 nan 8.270 nan 0.000 0.494 68 A N 0.514 123.353 122.820 0.031 0.000 2.545 68 A HA 0.261 4.581 4.320 -0.000 0.000 0.300 68 A C -0.236 177.375 177.584 0.046 0.000 1.252 68 A CA -0.573 51.482 52.037 0.031 0.000 0.753 68 A CB 0.583 19.597 19.000 0.024 0.000 1.144 68 A HN 0.128 nan 8.150 nan 0.000 0.457 69 D N 0.681 121.118 120.400 0.061 0.000 2.144 69 D HA -0.035 4.605 4.640 -0.000 0.000 0.200 69 D C 0.515 176.877 176.300 0.104 0.000 0.978 69 D CA 1.672 55.723 54.000 0.085 0.000 0.833 69 D CB 0.298 41.159 40.800 0.103 0.000 0.961 69 D HN 0.327 nan 8.370 nan 0.000 0.470 70 V N 1.003 120.967 119.914 0.083 0.000 2.680 70 V HA 0.349 4.469 4.120 -0.000 0.000 0.309 70 V C -0.040 176.069 176.094 0.024 0.000 1.052 70 V CA -0.800 61.541 62.300 0.069 0.000 0.908 70 V CB 2.798 34.614 31.823 -0.013 0.000 1.001 70 V HN -0.268 nan 8.190 nan 0.000 0.431 71 V N 2.944 122.930 119.914 0.120 0.000 2.444 71 V HA 0.464 4.583 4.120 -0.000 0.000 0.294 71 V C -1.133 175.163 176.094 0.335 0.000 1.022 71 V CA -0.585 61.803 62.300 0.145 0.000 0.850 71 V CB 1.739 33.637 31.823 0.125 0.000 0.992 71 V HN 0.821 nan 8.190 nan 0.000 0.426 72 W N 4.057 125.382 121.300 0.041 0.000 2.469 72 W HA 0.773 5.433 4.660 -0.000 0.000 0.320 72 W C 0.158 176.720 176.519 0.071 0.000 1.086 72 W CA -1.169 56.216 57.345 0.067 0.000 1.211 72 W CB 1.286 30.777 29.460 0.052 0.000 1.298 72 W HN 0.414 nan 8.180 nan 0.000 0.525 73 K N 0.870 121.436 120.400 0.276 0.000 2.579 73 K HA 0.426 4.746 4.320 -0.000 0.000 0.284 73 K C -0.120 176.532 176.600 0.086 0.000 0.990 73 K CA -0.556 55.817 56.287 0.142 0.000 0.880 73 K CB 2.217 34.783 32.500 0.110 0.000 1.488 73 K HN 0.148 nan 8.250 nan 0.000 0.425 74 V N 0.415 120.260 119.914 -0.115 0.000 2.398 74 V HA 0.043 4.163 4.120 -0.000 0.000 0.236 74 V C 0.719 176.742 176.094 -0.118 0.000 1.054 74 V CA 0.624 62.681 62.300 -0.406 0.000 1.060 74 V CB -0.059 31.383 31.823 -0.635 0.000 0.707 74 V HN 0.603 nan 8.190 nan 0.000 0.480 75 Q N 1.055 120.800 119.800 -0.093 0.000 2.249 75 Q HA 0.298 4.638 4.340 -0.000 0.000 0.226 75 Q C 0.160 176.181 176.000 0.035 0.000 0.983 75 Q CA -0.461 55.327 55.803 -0.026 0.000 0.930 75 Q CB 0.854 29.559 28.738 -0.056 0.000 1.193 75 Q HN 0.591 nan 8.270 nan 0.000 0.508 76 R N 0.235 120.770 120.500 0.058 0.000 2.641 76 R HA 0.340 4.680 4.340 -0.000 0.000 0.269 76 R C -2.370 173.949 176.300 0.031 0.000 1.074 76 R CA -1.443 54.691 56.100 0.056 0.000 1.133 76 R CB -0.637 29.699 30.300 0.060 0.000 1.029 76 R HN 0.177 nan 8.270 nan 0.000 0.488 77 P HA 0.062 nan 4.420 nan 0.000 0.275 77 P C -0.491 176.818 177.300 0.015 0.000 1.227 77 P CA -0.117 62.997 63.100 0.022 0.000 0.781 77 P CB 0.636 32.351 31.700 0.026 0.000 0.906 78 M N 2.072 121.678 119.600 0.010 0.000 2.268 78 M HA 0.085 4.565 4.480 -0.000 0.000 0.349 78 M C 0.946 177.250 176.300 0.007 0.000 1.485 78 M CA 0.337 55.641 55.300 0.006 0.000 1.094 78 M CB -0.203 32.399 32.600 0.003 0.000 1.843 78 M HN 0.409 nan 8.290 nan 0.000 0.460 79 T N 0.348 114.906 114.554 0.005 0.000 2.788 79 T HA 0.436 4.786 4.350 -0.000 0.000 0.287 79 T C 1.206 175.908 174.700 0.003 0.000 1.007 79 T CA -0.455 61.648 62.100 0.004 0.000 1.005 79 T CB 1.269 70.138 68.868 0.003 0.000 1.012 79 T HN 0.688 nan 8.240 nan 0.000 0.530 80 A N 0.276 123.098 122.820 0.003 0.000 2.015 80 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 80 A C 2.109 179.694 177.584 0.001 0.000 1.163 80 A CA 1.263 53.301 52.037 0.002 0.000 0.646 80 A CB -0.974 18.027 19.000 0.002 0.000 0.806 80 A HN 0.888 nan 8.150 nan 0.000 0.448 81 E N 0.497 120.697 120.200 0.001 0.000 2.265 81 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 81 E C 0.907 177.507 176.600 0.000 0.000 0.996 81 E CA 1.111 57.511 56.400 0.000 0.000 0.832 81 E CB -0.107 29.593 29.700 -0.000 0.000 0.756 81 E HN 0.764 nan 8.360 nan 0.000 0.491 82 E N -0.599 119.601 120.200 0.001 0.000 2.411 82 E HA 0.269 4.619 4.350 -0.000 0.000 0.204 82 E C 0.859 177.459 176.600 0.000 0.000 1.059 82 E CA 0.129 56.529 56.400 0.000 0.000 1.112 82 E CB 0.453 30.153 29.700 0.000 0.000 1.168 82 E HN 0.268 nan 8.360 nan 0.000 0.445 83 G N 1.484 110.284 108.800 0.000 0.000 4.766 83 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.314 83 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.314 83 G C 0.600 175.501 174.900 0.001 0.000 1.427 83 G CA 0.284 45.384 45.100 0.001 0.000 1.024 83 G HN 0.347 nan 8.290 nan 0.000 0.754 84 T N 2.441 116.996 114.554 0.001 0.000 2.888 84 T HA 0.447 4.797 4.350 -0.000 0.000 0.301 84 T C -0.378 174.323 174.700 0.003 0.000 1.001 84 T CA 0.688 62.790 62.100 0.002 0.000 1.147 84 T CB 1.476 70.345 68.868 0.001 0.000 0.931 84 T HN 0.462 nan 8.240 nan 0.000 0.541 85 D N 2.280 122.683 120.400 0.004 0.000 2.485 85 D HA 0.183 4.823 4.640 -0.000 0.000 0.229 85 D C 0.879 177.184 176.300 0.008 0.000 1.101 85 D CA -0.365 53.638 54.000 0.006 0.000 0.906 85 D CB 0.682 41.485 40.800 0.005 0.000 1.019 85 D HN 0.555 nan 8.370 nan 0.000 0.516 86 E N 1.449 121.654 120.200 0.009 0.000 2.122 86 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 86 E C 1.831 178.441 176.600 0.016 0.000 0.977 86 E CA 0.309 56.717 56.400 0.013 0.000 0.820 86 E CB 0.511 30.219 29.700 0.014 0.000 0.770 86 E HN 0.259 nan 8.360 nan 0.000 0.462 87 V N 1.249 121.172 119.914 0.015 0.000 2.568 87 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 87 V C 2.117 178.220 176.094 0.015 0.000 1.072 87 V CA 1.952 64.262 62.300 0.016 0.000 1.084 87 V CB -0.318 31.512 31.823 0.013 0.000 0.676 87 V HN 0.299 nan 8.190 nan 0.000 0.469 88 A N -0.519 122.309 122.820 0.012 0.000 2.019 88 A HA -0.109 4.210 4.320 -0.000 0.000 0.219 88 A C 1.938 179.530 177.584 0.013 0.000 1.164 88 A CA 1.763 53.807 52.037 0.011 0.000 0.644 88 A CB -0.485 18.520 19.000 0.009 0.000 0.805 88 A HN 0.526 nan 8.150 nan 0.000 0.449 89 L N -0.342 120.890 121.223 0.015 0.000 2.291 89 L HA 0.126 4.466 4.340 -0.000 0.000 0.214 89 L C 0.806 177.689 176.870 0.021 0.000 1.120 89 L CA 0.708 55.558 54.840 0.016 0.000 0.799 89 L CB -0.588 41.481 42.059 0.016 0.000 0.925 89 L HN 0.310 nan 8.230 nan 0.000 0.446 90 I N -0.087 120.497 120.570 0.024 0.000 2.575 90 I HA 0.022 4.192 4.170 -0.000 0.000 0.285 90 I C 0.947 177.080 176.117 0.027 0.000 1.085 90 I CA -0.206 61.112 61.300 0.030 0.000 1.403 90 I CB 0.505 38.526 38.000 0.036 0.000 1.409 90 I HN 0.020 nan 8.210 nan 0.000 0.557 91 K N 4.545 124.963 120.400 0.030 0.000 2.414 91 K HA 0.067 4.387 4.320 -0.000 0.000 0.272 91 K C -0.332 176.284 176.600 0.027 0.000 0.993 91 K CA -0.351 55.952 56.287 0.027 0.000 0.964 91 K CB 0.555 33.073 32.500 0.030 0.000 0.925 91 K HN 0.439 nan 8.250 nan 0.000 0.487 92 E N 0.758 120.971 120.200 0.022 0.000 2.344 92 E HA 0.147 4.497 4.350 -0.000 0.000 0.270 92 E C 0.607 177.221 176.600 0.023 0.000 1.021 92 E CA 1.056 57.468 56.400 0.019 0.000 0.887 92 E CB 0.818 30.527 29.700 0.015 0.000 0.997 92 E HN 0.796 nan 8.360 nan 0.000 0.429 93 G N 1.640 110.454 108.800 0.023 0.000 2.153 93 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 93 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 93 G C 0.373 175.300 174.900 0.044 0.000 0.994 93 G CA 0.106 45.223 45.100 0.028 0.000 0.698 93 G HN 0.745 nan 8.290 nan 0.000 0.521 94 A N -1.101 121.748 122.820 0.048 0.000 2.257 94 A HA 0.839 5.159 4.320 -0.000 0.000 0.289 94 A C 0.381 178.018 177.584 0.089 0.000 1.095 94 A CA 0.091 52.170 52.037 0.070 0.000 0.836 94 A CB 1.287 20.326 19.000 0.065 0.000 1.111 94 A HN 1.166 nan 8.150 nan 0.000 0.497 95 V N 0.897 120.891 119.914 0.133 0.000 2.398 95 V HA 0.439 4.559 4.120 -0.000 0.000 0.286 95 V C -0.527 175.694 176.094 0.212 0.000 1.026 95 V CA -0.405 62.013 62.300 0.197 0.000 0.868 95 V CB 0.943 32.940 31.823 0.290 0.000 0.982 95 V HN 0.726 nan 8.190 nan 0.000 0.443 96 L N 6.010 127.353 121.223 0.199 0.000 2.329 96 L HA 0.745 5.085 4.340 -0.000 0.000 0.279 96 L C -0.499 176.525 176.870 0.257 0.000 1.014 96 L CA -0.227 54.731 54.840 0.197 0.000 0.814 96 L CB 1.608 43.733 42.059 0.110 0.000 1.257 96 L HN 0.693 nan 8.230 nan 0.000 0.424 97 M N 6.352 126.105 119.600 0.255 0.000 2.124 97 M HA 0.563 5.043 4.480 -0.000 0.000 0.280 97 M C -1.234 175.112 176.300 0.076 0.000 0.954 97 M CA -0.361 55.028 55.300 0.149 0.000 0.958 97 M CB 1.565 34.240 32.600 0.125 0.000 1.611 97 M HN 0.898 nan 8.290 nan 0.000 0.449 98 C N -0.685 118.644 119.300 0.049 0.000 3.216 98 C HA 0.435 4.895 4.460 -0.000 0.000 0.346 98 C C -0.705 174.355 174.990 0.118 0.000 1.384 98 C CA -1.068 58.033 59.018 0.138 0.000 1.208 98 C CB 1.653 29.480 27.740 0.145 0.000 1.483 98 C HN 0.893 nan 8.230 nan 0.000 0.453 99 H N 1.269 120.419 119.070 0.133 0.000 3.017 99 H HA 0.319 4.875 4.556 -0.000 0.000 0.276 99 H C 0.362 175.705 175.328 0.026 0.000 1.062 99 H CA 0.697 56.787 56.048 0.071 0.000 1.486 99 H CB 0.732 30.558 29.762 0.107 0.000 1.507 99 H HN 0.712 nan 8.280 nan 0.000 0.508 100 L N 3.632 124.825 121.223 -0.050 0.000 2.354 100 L HA 0.100 4.440 4.340 -0.000 0.000 0.212 100 L C 1.551 178.434 176.870 0.022 0.000 1.091 100 L CA 0.678 55.517 54.840 -0.000 0.000 0.828 100 L CB 0.161 42.186 42.059 -0.058 0.000 0.973 100 L HN 0.948 nan 8.230 nan 0.000 0.461 101 G N 0.438 109.199 108.800 -0.064 0.000 2.338 101 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.296 101 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.296 101 G C 1.001 175.871 174.900 -0.050 0.000 1.040 101 G CA 0.474 45.575 45.100 0.002 0.000 1.004 101 G HN 0.458 nan 8.290 nan 0.000 0.509 102 A N -0.697 122.054 122.820 -0.116 0.000 1.933 102 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 102 A C 2.466 179.992 177.584 -0.098 0.000 1.175 102 A CA 1.716 53.687 52.037 -0.111 0.000 0.628 102 A CB -0.181 18.719 19.000 -0.167 0.000 0.814 102 A HN 0.831 nan 8.150 nan 0.000 0.444 103 L N -0.303 120.855 121.223 -0.109 0.000 2.141 103 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 103 L C 2.677 179.517 176.870 -0.051 0.000 1.094 103 L CA 1.707 56.495 54.840 -0.085 0.000 0.763 103 L CB -0.643 41.356 42.059 -0.099 0.000 0.908 103 L HN 0.637 nan 8.230 nan 0.000 0.437 104 T N -5.064 109.467 114.554 -0.038 0.000 3.037 104 T HA 0.118 4.468 4.350 -0.000 0.000 0.251 104 T C 0.769 175.461 174.700 -0.013 0.000 1.079 104 T CA -0.130 61.958 62.100 -0.019 0.000 1.067 104 T CB 0.044 68.909 68.868 -0.006 0.000 0.948 104 T HN 0.080 nan 8.240 nan 0.000 0.496 105 N N 1.498 120.188 118.700 -0.017 0.000 2.804 105 N HA 0.354 5.094 4.740 -0.000 0.000 0.251 105 N C 0.420 175.918 175.510 -0.020 0.000 1.250 105 N CA -0.295 52.748 53.050 -0.011 0.000 0.820 105 N CB 1.474 39.961 38.487 -0.000 0.000 1.156 105 N HN 0.234 nan 8.380 nan 0.000 0.512 106 R N 1.371 121.860 120.500 -0.019 0.000 2.115 106 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 106 R C -0.863 175.428 176.300 -0.014 0.000 1.100 106 R CA 0.895 56.983 56.100 -0.019 0.000 0.980 106 R CB -0.308 29.982 30.300 -0.015 0.000 0.875 106 R HN 0.211 nan 8.270 nan 0.000 0.445 107 P HA -0.174 nan 4.420 nan 0.000 0.216 107 P C 1.357 178.654 177.300 -0.006 0.000 1.150 107 P CA 0.926 64.022 63.100 -0.007 0.000 0.837 107 P CB 0.002 31.699 31.700 -0.004 0.000 0.786 108 V N -0.535 119.375 119.914 -0.006 0.000 2.515 108 V HA -0.176 3.944 4.120 -0.000 0.000 0.250 108 V C 2.121 178.209 176.094 -0.010 0.000 1.058 108 V CA 1.675 63.972 62.300 -0.005 0.000 1.064 108 V CB -0.782 31.041 31.823 0.000 0.000 0.675 108 V HN -0.093 nan 8.190 nan 0.000 0.461 109 V N 0.035 119.939 119.914 -0.018 0.000 2.307 109 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 109 V C 2.417 178.500 176.094 -0.018 0.000 1.045 109 V CA 2.377 64.663 62.300 -0.024 0.000 1.024 109 V CB -0.750 31.054 31.823 -0.032 0.000 0.651 109 V HN 0.622 nan 8.190 nan 0.000 0.449 110 E N 0.385 120.578 120.200 -0.013 0.000 2.085 110 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 110 E C 2.308 178.904 176.600 -0.007 0.000 0.994 110 E CA 1.405 57.800 56.400 -0.009 0.000 0.801 110 E CB -0.333 29.363 29.700 -0.007 0.000 0.743 110 E HN 0.611 nan 8.360 nan 0.000 0.453 111 A N 1.029 123.845 122.820 -0.006 0.000 1.873 111 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 111 A C 2.186 179.768 177.584 -0.002 0.000 1.186 111 A CA 0.965 53.000 52.037 -0.002 0.000 0.616 111 A CB -0.588 18.412 19.000 -0.000 0.000 0.823 111 A HN 0.123 nan 8.150 nan 0.000 0.442 112 L N -0.518 120.702 121.223 -0.005 0.000 2.083 112 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 112 L C 2.741 179.604 176.870 -0.011 0.000 1.083 112 L CA 1.698 56.535 54.840 -0.006 0.000 0.752 112 L CB -0.746 41.306 42.059 -0.012 0.000 0.899 112 L HN 0.351 nan 8.230 nan 0.000 0.433 113 T N -0.676 113.870 114.554 -0.014 0.000 2.788 113 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 113 T C 1.842 176.537 174.700 -0.007 0.000 1.044 113 T CA 1.247 63.339 62.100 -0.014 0.000 1.139 113 T CB -0.113 68.747 68.868 -0.013 0.000 0.867 113 T HN 0.274 nan 8.240 nan 0.000 0.454 114 K N 0.499 120.896 120.400 -0.004 0.000 2.283 114 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 114 K C 2.079 178.680 176.600 0.001 0.000 1.048 114 K CA 0.705 56.992 56.287 -0.002 0.000 0.948 114 K CB 0.040 32.539 32.500 -0.001 0.000 0.742 114 K HN 0.120 nan 8.250 nan 0.000 0.458 115 R N 0.533 121.034 120.500 0.002 0.000 2.427 115 R HA 0.122 4.462 4.340 -0.000 0.000 0.262 115 R C -0.420 175.883 176.300 0.005 0.000 0.943 115 R CA 0.050 56.153 56.100 0.005 0.000 1.081 115 R CB 0.263 30.568 30.300 0.008 0.000 1.166 115 R HN 0.028 nan 8.270 nan 0.000 0.534 116 K N 0.476 120.876 120.400 0.000 0.000 3.069 116 K HA -0.193 4.127 4.320 -0.000 0.000 0.267 116 K C -0.523 176.076 176.600 -0.001 0.000 1.082 116 K CA 0.658 56.945 56.287 -0.001 0.000 0.782 116 K CB -1.465 31.037 32.500 0.003 0.000 1.230 116 K HN 0.282 nan 8.250 nan 0.000 0.488 117 I N 1.459 122.027 120.570 -0.003 0.000 2.416 117 I HA 0.008 4.178 4.170 -0.000 0.000 0.288 117 I C 0.839 176.939 176.117 -0.028 0.000 1.051 117 I CA -0.076 61.224 61.300 -0.000 0.000 1.375 117 I CB 1.240 39.245 38.000 0.009 0.000 1.407 117 I HN -0.025 nan 8.210 nan 0.000 0.516 118 T N 6.646 121.181 114.554 -0.033 0.000 2.727 118 T HA 0.434 4.784 4.350 -0.000 0.000 0.295 118 T C 0.124 174.722 174.700 -0.170 0.000 0.915 118 T CA -0.442 61.587 62.100 -0.118 0.000 1.066 118 T CB 0.425 69.240 68.868 -0.088 0.000 0.891 118 T HN 0.665 nan 8.240 nan 0.000 0.516 119 A N 4.155 126.828 122.820 -0.245 0.000 2.303 119 A HA 0.671 4.991 4.320 -0.000 0.000 0.320 119 A C -1.122 176.280 177.584 -0.303 0.000 1.192 119 A CA -0.742 51.191 52.037 -0.173 0.000 0.821 119 A CB 0.621 19.572 19.000 -0.082 0.000 1.188 119 A HN 0.839 nan 8.150 nan 0.000 0.492 120 Y N 1.714 122.018 120.300 0.006 0.000 2.369 120 Y HA 0.477 5.027 4.550 -0.000 0.000 0.337 120 Y C 0.804 176.625 175.900 -0.132 0.000 0.961 120 Y CA -0.338 57.733 58.100 -0.049 0.000 1.186 120 Y CB 1.709 40.135 38.460 -0.057 0.000 1.139 120 Y HN 0.784 nan 8.280 nan 0.000 0.494 121 A N 5.164 127.969 122.820 -0.025 0.000 2.457 121 A HA 0.190 4.510 4.320 -0.000 0.000 0.298 121 A C 1.088 178.569 177.584 -0.171 0.000 1.288 121 A CA -0.396 51.568 52.037 -0.121 0.000 0.956 121 A CB 0.071 18.967 19.000 -0.173 0.000 1.135 121 A HN 0.869 nan 8.150 nan 0.000 0.535 122 M N 1.722 121.196 119.600 -0.210 0.000 2.374 122 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 122 M C 2.050 178.221 176.300 -0.216 0.000 1.067 122 M CA 1.249 56.387 55.300 -0.270 0.000 1.103 122 M CB -0.740 31.673 32.600 -0.312 0.000 1.402 122 M HN 0.952 nan 8.290 nan 0.000 0.444 123 E N 1.053 121.091 120.200 -0.270 0.000 2.409 123 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 123 E C 1.281 177.807 176.600 -0.124 0.000 1.024 123 E CA 0.820 57.086 56.400 -0.224 0.000 0.861 123 E CB -0.641 28.777 29.700 -0.470 0.000 0.788 123 E HN 0.515 nan 8.360 nan 0.000 0.521 124 L N 0.999 122.144 121.223 -0.130 0.000 2.688 124 L HA 0.270 4.610 4.340 -0.000 0.000 0.234 124 L C 0.858 177.740 176.870 0.020 0.000 1.192 124 L CA -0.588 54.219 54.840 -0.055 0.000 0.984 124 L CB -0.408 41.590 42.059 -0.102 0.000 1.232 124 L HN 0.045 nan 8.230 nan 0.000 0.465 125 M N 2.898 122.498 119.600 -0.001 0.000 2.238 125 M HA 0.229 4.709 4.480 -0.000 0.000 0.350 125 M C -2.097 174.245 176.300 0.070 0.000 1.321 125 M CA -1.918 53.395 55.300 0.022 0.000 1.097 125 M CB 0.146 32.730 32.600 -0.027 0.000 1.713 125 M HN -0.185 nan 8.290 nan 0.000 0.455 126 P HA 0.056 nan 4.420 nan 0.000 0.268 126 P C -0.979 176.347 177.300 0.042 0.000 1.204 126 P CA 0.048 63.195 63.100 0.078 0.000 0.768 126 P CB 0.288 32.030 31.700 0.070 0.000 0.842 127 R N 3.883 124.394 120.500 0.018 0.000 3.701 127 R HA 0.311 4.651 4.340 -0.000 0.000 0.210 127 R C 0.464 176.742 176.300 -0.037 0.000 1.598 127 R CA -0.287 55.792 56.100 -0.036 0.000 1.427 127 R CB -1.247 28.974 30.300 -0.131 0.000 1.339 127 R HN 0.596 nan 8.270 nan 0.000 0.720 128 I N -3.179 117.382 120.570 -0.015 0.000 2.892 128 I HA 0.406 4.576 4.170 -0.000 0.000 0.306 128 I C 1.013 177.122 176.117 -0.012 0.000 1.078 128 I CA -0.889 60.404 61.300 -0.013 0.000 1.032 128 I CB 2.150 40.150 38.000 0.000 0.000 1.229 128 I HN -0.117 nan 8.210 nan 0.000 0.435 129 S N 1.726 117.417 115.700 -0.014 0.000 2.365 129 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 129 S C 1.786 176.380 174.600 -0.011 0.000 1.039 129 S CA 1.909 60.100 58.200 -0.014 0.000 1.033 129 S CB -0.519 62.673 63.200 -0.013 0.000 0.887 129 S HN 0.790 nan 8.310 nan 0.000 0.447 130 R N 1.595 122.091 120.500 -0.007 0.000 2.148 130 R HA 0.099 4.439 4.340 -0.000 0.000 0.223 130 R C 1.866 178.165 176.300 -0.001 0.000 1.088 130 R CA 1.158 57.255 56.100 -0.005 0.000 0.985 130 R CB -0.369 29.928 30.300 -0.004 0.000 0.880 130 R HN 0.383 nan 8.270 nan 0.000 0.451 131 A N 0.634 123.458 122.820 0.005 0.000 2.238 131 A HA 0.035 4.355 4.320 -0.000 0.000 0.208 131 A C 1.572 179.155 177.584 -0.002 0.000 1.177 131 A CA 0.062 52.108 52.037 0.015 0.000 0.804 131 A CB 0.056 19.073 19.000 0.029 0.000 0.823 131 A HN 0.263 nan 8.150 nan 0.000 0.482 132 Q N 0.376 120.169 119.800 -0.012 0.000 2.224 132 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 132 Q C 2.361 178.343 176.000 -0.029 0.000 0.970 132 Q CA 1.658 57.448 55.803 -0.022 0.000 0.865 132 Q CB -0.680 28.045 28.738 -0.021 0.000 0.922 132 Q HN 0.835 nan 8.270 nan 0.000 0.445 133 S N 0.447 116.133 115.700 -0.023 0.000 2.419 133 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 133 S C 1.673 176.247 174.600 -0.042 0.000 1.019 133 S CA 1.322 59.505 58.200 -0.028 0.000 0.982 133 S CB -0.302 62.886 63.200 -0.020 0.000 0.789 133 S HN 0.562 nan 8.310 nan 0.000 0.490 134 M N -0.192 119.387 119.600 -0.035 0.000 2.692 134 M HA 0.483 4.963 4.480 -0.000 0.000 0.372 134 M C -0.792 175.444 176.300 -0.107 0.000 1.192 134 M CA -0.421 54.849 55.300 -0.049 0.000 0.928 134 M CB 0.401 33.042 32.600 0.068 0.000 1.366 134 M HN -0.121 nan 8.290 nan 0.000 0.517 135 D N 2.633 122.971 120.400 -0.105 0.000 2.443 135 D HA 0.280 4.920 4.640 -0.000 0.000 0.221 135 D C 1.022 177.239 176.300 -0.139 0.000 1.097 135 D CA -0.358 53.580 54.000 -0.102 0.000 0.865 135 D CB 1.073 41.842 40.800 -0.051 0.000 1.034 135 D HN 0.604 nan 8.370 nan 0.000 0.511 136 I N 0.885 121.331 120.570 -0.206 0.000 2.439 136 I HA -0.108 4.062 4.170 -0.000 0.000 0.251 136 I C 1.317 177.425 176.117 -0.014 0.000 1.139 136 I CA 0.281 61.446 61.300 -0.225 0.000 1.438 136 I CB -0.012 37.716 38.000 -0.454 0.000 1.085 136 I HN 0.196 nan 8.210 nan 0.000 0.427 137 L N 1.255 122.491 121.223 0.020 0.000 2.017 137 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 137 L C 2.780 179.682 176.870 0.054 0.000 1.073 137 L CA 1.750 56.636 54.840 0.077 0.000 0.745 137 L CB -1.354 40.761 42.059 0.094 0.000 0.894 137 L HN 0.306 nan 8.230 nan 0.000 0.432 138 S N -0.609 115.102 115.700 0.019 0.000 2.355 138 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 138 S C 2.099 176.709 174.600 0.017 0.000 1.031 138 S CA 1.443 59.650 58.200 0.012 0.000 0.993 138 S CB -0.377 62.818 63.200 -0.008 0.000 0.859 138 S HN 0.667 nan 8.310 nan 0.000 0.453 139 S N 1.442 117.145 115.700 0.006 0.000 2.382 139 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 139 S C 1.781 176.408 174.600 0.046 0.000 1.027 139 S CA 0.720 58.929 58.200 0.015 0.000 0.991 139 S CB -0.360 62.839 63.200 -0.002 0.000 0.823 139 S HN 0.345 nan 8.310 nan 0.000 0.469 140 Q N 1.262 121.105 119.800 0.072 0.000 2.123 140 Q HA 0.203 4.543 4.340 -0.000 0.000 0.196 140 Q C 2.533 178.577 176.000 0.072 0.000 0.958 140 Q CA 1.198 57.055 55.803 0.089 0.000 0.841 140 Q CB -0.779 28.039 28.738 0.134 0.000 0.915 140 Q HN 0.599 nan 8.270 nan 0.000 0.455 141 S N 1.861 117.603 115.700 0.070 0.000 2.368 141 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 141 S C 1.720 176.362 174.600 0.070 0.000 1.030 141 S CA 1.157 59.399 58.200 0.069 0.000 0.999 141 S CB -0.327 62.914 63.200 0.069 0.000 0.844 141 S HN 0.439 nan 8.310 nan 0.000 0.459 142 N N 1.369 120.105 118.700 0.060 0.000 2.061 142 N HA -0.125 4.615 4.740 -0.000 0.000 0.193 142 N C 1.714 177.277 175.510 0.089 0.000 1.030 142 N CA 1.320 54.407 53.050 0.062 0.000 0.856 142 N CB -0.224 38.284 38.487 0.035 0.000 1.023 142 N HN 0.360 nan 8.380 nan 0.000 0.424 143 L N 0.637 121.907 121.223 0.078 0.000 2.093 143 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 143 L C 2.715 179.679 176.870 0.157 0.000 1.085 143 L CA 1.028 55.935 54.840 0.113 0.000 0.755 143 L CB -0.505 41.593 42.059 0.065 0.000 0.904 143 L HN 0.189 nan 8.230 nan 0.000 0.435 144 A N 0.496 123.378 122.820 0.103 0.000 1.933 144 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 144 A C 2.410 180.047 177.584 0.088 0.000 1.175 144 A CA 1.680 53.768 52.037 0.084 0.000 0.628 144 A CB -1.131 17.907 19.000 0.064 0.000 0.814 144 A HN 0.432 nan 8.150 nan 0.000 0.444 145 G N -1.585 107.276 108.800 0.102 0.000 2.402 145 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 145 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 145 G C 1.540 176.506 174.900 0.110 0.000 1.162 145 G CA 1.217 46.376 45.100 0.099 0.000 0.777 145 G HN 0.621 nan 8.290 nan 0.000 0.539 146 Y N 1.327 121.643 120.300 0.025 0.000 2.128 146 Y HA -0.076 4.474 4.550 -0.000 0.000 0.284 146 Y C 2.898 178.802 175.900 0.007 0.000 1.154 146 Y CA 1.871 59.980 58.100 0.014 0.000 1.149 146 Y CB -0.107 38.356 38.460 0.004 0.000 0.976 146 Y HN -0.013 nan 8.280 nan 0.000 0.505 147 R N 0.705 121.171 120.500 -0.056 0.000 2.081 147 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 147 R C 2.459 178.676 176.300 -0.138 0.000 1.131 147 R CA 1.205 57.216 56.100 -0.150 0.000 0.960 147 R CB -1.175 29.121 30.300 -0.006 0.000 0.856 147 R HN 0.546 nan 8.270 nan 0.000 0.436 148 A N 0.226 123.018 122.820 -0.046 0.000 1.917 148 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 148 A C 2.432 180.011 177.584 -0.010 0.000 1.182 148 A CA 1.860 53.900 52.037 0.005 0.000 0.633 148 A CB -0.572 18.454 19.000 0.043 0.000 0.819 148 A HN 0.154 nan 8.150 nan 0.000 0.448 149 V N 0.445 120.315 119.914 -0.073 0.000 2.379 149 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 149 V C 2.422 178.396 176.094 -0.200 0.000 1.044 149 V CA 1.549 63.805 62.300 -0.073 0.000 1.036 149 V CB -0.627 31.137 31.823 -0.099 0.000 0.664 149 V HN 0.509 nan 8.190 nan 0.000 0.453 150 I N 0.348 120.724 120.570 -0.323 0.000 2.179 150 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 150 I C 2.294 178.358 176.117 -0.088 0.000 1.088 150 I CA 1.670 62.801 61.300 -0.283 0.000 1.357 150 I CB -1.289 36.483 38.000 -0.379 0.000 1.051 150 I HN 0.343 nan 8.210 nan 0.000 0.409 151 D N 0.887 121.256 120.400 -0.051 0.000 2.144 151 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 151 D C 2.263 178.666 176.300 0.172 0.000 0.978 151 D CA 1.484 55.527 54.000 0.071 0.000 0.833 151 D CB -0.350 40.502 40.800 0.086 0.000 0.961 151 D HN 0.371 nan 8.370 nan 0.000 0.470 152 G N 0.992 109.876 108.800 0.141 0.000 2.421 152 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 152 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 152 G C 1.740 176.833 174.900 0.321 0.000 1.171 152 G CA 1.256 46.481 45.100 0.209 0.000 0.775 152 G HN 0.380 nan 8.290 nan 0.000 0.543 153 A N -0.322 122.654 122.820 0.260 0.000 1.972 153 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 153 A C 2.202 179.926 177.584 0.234 0.000 1.169 153 A CA 1.710 53.901 52.037 0.257 0.000 0.635 153 A CB -0.589 18.262 19.000 -0.247 0.000 0.810 153 A HN 0.497 nan 8.150 nan 0.000 0.446 154 Y N 0.472 120.815 120.300 0.073 0.000 2.220 154 Y HA -0.112 4.438 4.550 -0.000 0.000 0.291 154 Y C 2.214 178.173 175.900 0.098 0.000 1.129 154 Y CA 1.938 60.074 58.100 0.060 0.000 1.161 154 Y CB 0.114 38.591 38.460 0.029 0.000 0.997 154 Y HN 0.295 nan 8.280 nan 0.000 0.522 155 E N -0.332 120.022 120.200 0.256 0.000 2.285 155 E HA -0.091 4.258 4.350 -0.000 0.000 0.194 155 E C -0.120 176.590 176.600 0.183 0.000 0.997 155 E CA 0.244 56.749 56.400 0.176 0.000 0.845 155 E CB -0.393 29.436 29.700 0.216 0.000 0.782 155 E HN 0.244 nan 8.360 nan 0.000 0.491 156 F N 0.951 120.941 119.950 0.067 0.000 2.396 156 F HA 0.350 4.877 4.527 -0.000 0.000 0.343 156 F C 1.029 176.847 175.800 0.029 0.000 1.104 156 F CA -0.823 57.215 58.000 0.062 0.000 1.161 156 F CB 1.187 40.260 39.000 0.122 0.000 1.146 156 F HN -0.165 nan 8.300 nan 0.000 0.522 157 A N 6.641 129.091 122.820 -0.615 0.000 2.275 157 A HA 0.266 4.586 4.320 -0.000 0.000 0.212 157 A C 0.786 177.997 177.584 -0.623 0.000 1.201 157 A CA -0.041 51.701 52.037 -0.492 0.000 0.843 157 A CB -0.298 18.520 19.000 -0.304 0.000 0.873 157 A HN 0.686 nan 8.150 nan 0.000 0.492 158 R N -1.085 118.758 120.500 -1.095 0.000 2.873 158 R HA 0.689 5.029 4.340 -0.000 0.000 0.264 158 R C -0.305 175.903 176.300 -0.153 0.000 1.026 158 R CA -0.373 55.404 56.100 -0.538 0.000 1.002 158 R CB 1.364 31.406 30.300 -0.431 0.000 1.174 158 R HN 0.168 nan 8.270 nan 0.000 0.488 159 A N 0.889 123.719 122.820 0.017 0.000 2.340 159 A HA 0.252 4.572 4.320 -0.000 0.000 0.268 159 A C 0.411 178.173 177.584 0.296 0.000 1.100 159 A CA -0.357 51.778 52.037 0.164 0.000 0.803 159 A CB 0.053 19.112 19.000 0.098 0.000 1.043 159 A HN 0.677 nan 8.150 nan 0.000 0.488 160 F N 1.962 121.987 119.950 0.125 0.000 2.046 160 F HA -0.017 4.510 4.527 -0.000 0.000 0.297 160 F C -0.905 174.945 175.800 0.083 0.000 1.123 160 F CA 1.407 59.479 58.000 0.120 0.000 1.199 160 F CB -0.943 38.109 39.000 0.088 0.000 0.972 160 F HN 0.342 nan 8.300 nan 0.000 0.474 161 P HA 0.050 nan 4.420 nan 0.000 0.276 161 P C -0.281 177.073 177.300 0.091 0.000 1.244 161 P CA -0.403 62.781 63.100 0.141 0.000 0.801 161 P CB 0.599 32.371 31.700 0.120 0.000 1.006 162 M N 2.590 122.227 119.600 0.062 0.000 2.249 162 M HA 0.188 4.668 4.480 -0.000 0.000 0.340 162 M C -0.731 175.594 176.300 0.041 0.000 1.166 162 M CA 1.047 56.373 55.300 0.043 0.000 1.115 162 M CB -0.205 32.413 32.600 0.031 0.000 1.606 162 M HN 0.246 nan 8.290 nan 0.000 0.448 163 M N 6.231 125.851 119.600 0.033 0.000 2.263 163 M HA 0.388 4.868 4.480 -0.000 0.000 0.295 163 M C -1.128 175.183 176.300 0.019 0.000 1.028 163 M CA -0.283 55.033 55.300 0.027 0.000 0.921 163 M CB 2.249 34.865 32.600 0.027 0.000 1.601 163 M HN 0.777 nan 8.290 nan 0.000 0.440 164 M N 4.243 123.854 119.600 0.017 0.000 2.103 164 M HA 0.361 4.841 4.480 -0.000 0.000 0.350 164 M C -0.408 175.898 176.300 0.011 0.000 1.100 164 M CA -0.171 55.136 55.300 0.013 0.000 1.042 164 M CB 0.598 33.205 32.600 0.012 0.000 1.368 164 M HN 0.811 nan 8.290 nan 0.000 0.404 165 T N 0.830 115.389 114.554 0.008 0.000 2.938 165 T HA 0.701 5.051 4.350 -0.000 0.000 0.285 165 T C 0.957 175.660 174.700 0.005 0.000 1.028 165 T CA -0.334 61.770 62.100 0.007 0.000 1.005 165 T CB 1.598 70.469 68.868 0.005 0.000 1.157 165 T HN 0.581 nan 8.240 nan 0.000 0.550 166 A N 0.348 123.170 122.820 0.004 0.000 1.969 166 A HA 0.298 4.617 4.320 -0.000 0.000 0.218 166 A C 2.489 180.074 177.584 0.001 0.000 1.169 166 A CA 1.583 53.621 52.037 0.003 0.000 0.635 166 A CB -1.434 17.568 19.000 0.002 0.000 0.810 166 A HN 1.240 nan 8.150 nan 0.000 0.445 167 A N -1.606 121.214 122.820 0.001 0.000 2.066 167 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 167 A C 1.359 178.943 177.584 -0.001 0.000 1.157 167 A CA 1.685 53.721 52.037 -0.001 0.000 0.670 167 A CB -0.567 18.432 19.000 -0.002 0.000 0.804 167 A HN 1.826 nan 8.150 nan 0.000 0.453 168 G N -3.009 105.791 108.800 0.001 0.000 2.350 168 G HA2 0.371 4.331 3.960 -0.000 0.000 0.282 168 G HA3 0.371 4.331 3.960 -0.000 0.000 0.282 168 G C -0.846 174.056 174.900 0.003 0.000 1.314 168 G CA -0.151 44.950 45.100 0.002 0.000 0.915 168 G HN 0.352 nan 8.290 nan 0.000 0.499 169 T N 0.369 114.925 114.554 0.004 0.000 2.829 169 T HA 0.674 5.024 4.350 -0.000 0.000 0.280 169 T C 0.075 174.779 174.700 0.006 0.000 0.999 169 T CA 0.048 62.152 62.100 0.006 0.000 0.983 169 T CB 1.436 70.308 68.868 0.007 0.000 0.968 169 T HN 1.661 nan 8.240 nan 0.000 0.446 170 V N 1.634 121.553 119.914 0.009 0.000 2.555 170 V HA 0.777 4.897 4.120 -0.000 0.000 0.302 170 V C -2.615 173.489 176.094 0.018 0.000 1.038 170 V CA -2.760 59.546 62.300 0.010 0.000 0.887 170 V CB 1.321 33.148 31.823 0.006 0.000 0.991 170 V HN 0.616 nan 8.190 nan 0.000 0.434 171 P HA 0.401 nan 4.420 nan 0.000 0.274 171 P C -2.736 174.582 177.300 0.030 0.000 1.256 171 P CA -1.484 61.629 63.100 0.020 0.000 0.795 171 P CB 0.047 31.758 31.700 0.017 0.000 1.038 172 P HA 0.162 nan 4.420 nan 0.000 0.276 172 P C -0.528 176.763 177.300 -0.014 0.000 1.252 172 P CA -0.284 62.824 63.100 0.013 0.000 0.802 172 P CB 0.348 32.047 31.700 -0.002 0.000 1.035 173 A N 2.878 125.657 122.820 -0.070 0.000 2.462 173 A HA 0.186 4.506 4.320 -0.000 0.000 0.243 173 A C 0.377 177.789 177.584 -0.287 0.000 1.076 173 A CA -0.156 51.756 52.037 -0.208 0.000 0.773 173 A CB -0.312 18.361 19.000 -0.546 0.000 1.010 173 A HN 0.446 nan 8.150 nan 0.000 0.493 174 R N 1.577 121.917 120.500 -0.266 0.000 2.265 174 R HA 0.489 4.829 4.340 -0.000 0.000 0.328 174 R C -1.248 174.897 176.300 -0.259 0.000 0.969 174 R CA -0.437 55.536 56.100 -0.211 0.000 0.832 174 R CB 1.572 31.792 30.300 -0.132 0.000 1.139 174 R HN 0.481 nan 8.270 nan 0.000 0.457 175 V N 5.037 124.822 119.914 -0.216 0.000 2.581 175 V HA 0.438 4.558 4.120 -0.000 0.000 0.303 175 V C -0.242 175.792 176.094 -0.101 0.000 1.041 175 V CA -0.834 61.365 62.300 -0.168 0.000 0.907 175 V CB 2.019 33.764 31.823 -0.130 0.000 0.994 175 V HN 0.605 nan 8.190 nan 0.000 0.442 176 L N 4.726 125.911 121.223 -0.063 0.000 2.381 176 L HA 0.643 4.983 4.340 -0.000 0.000 0.274 176 L C -1.111 175.746 176.870 -0.021 0.000 0.988 176 L CA -0.580 54.207 54.840 -0.087 0.000 0.824 176 L CB 2.000 44.007 42.059 -0.087 0.000 1.263 176 L HN 0.453 nan 8.230 nan 0.000 0.410 177 V N 4.839 124.699 119.914 -0.091 0.000 2.328 177 V HA 0.329 4.449 4.120 -0.000 0.000 0.278 177 V C -0.428 175.621 176.094 -0.075 0.000 1.021 177 V CA -0.372 61.934 62.300 0.009 0.000 0.838 177 V CB 1.042 32.881 31.823 0.027 0.000 0.999 177 V HN 0.422 nan 8.190 nan 0.000 0.447 178 F N 3.034 122.985 119.950 0.002 0.000 2.404 178 F HA 0.671 5.198 4.527 -0.000 0.000 0.358 178 F C 1.001 176.823 175.800 0.037 0.000 1.120 178 F CA 0.046 58.053 58.000 0.010 0.000 1.144 178 F CB 1.235 40.239 39.000 0.006 0.000 1.133 178 F HN 0.770 nan 8.300 nan 0.000 0.495 179 G N 2.379 111.284 108.800 0.176 0.000 3.439 179 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.684 179 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.684 179 G C -1.078 173.893 174.900 0.119 0.000 1.005 179 G CA -0.960 44.230 45.100 0.150 0.000 0.837 179 G HN 0.668 nan 8.290 nan 0.000 0.470 180 V N 3.904 123.886 119.914 0.113 0.000 2.435 180 V HA 0.630 4.750 4.120 -0.000 0.000 0.263 180 V C 1.418 177.555 176.094 0.072 0.000 1.087 180 V CA 0.403 62.762 62.300 0.097 0.000 1.253 180 V CB 0.171 32.068 31.823 0.123 0.000 1.462 180 V HN 1.261 nan 8.190 nan 0.000 0.547 181 G N 0.633 109.473 108.800 0.067 0.000 2.666 181 G HA2 0.327 4.287 3.960 -0.000 0.000 0.207 181 G HA3 0.327 4.287 3.960 -0.000 0.000 0.207 181 G C 1.138 176.061 174.900 0.039 0.000 1.481 181 G CA 0.233 45.358 45.100 0.043 0.000 1.071 181 G HN 0.123 nan 8.290 nan 0.000 0.572 182 V N 1.034 120.968 119.914 0.033 0.000 2.307 182 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 182 V C 3.304 179.430 176.094 0.053 0.000 1.045 182 V CA 2.471 64.792 62.300 0.034 0.000 1.024 182 V CB -1.033 30.807 31.823 0.028 0.000 0.651 182 V HN 0.716 nan 8.190 nan 0.000 0.449 183 A N 0.607 123.465 122.820 0.064 0.000 1.855 183 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 183 A C 2.453 180.085 177.584 0.078 0.000 1.191 183 A CA 1.929 54.011 52.037 0.075 0.000 0.613 183 A CB -1.401 17.646 19.000 0.078 0.000 0.829 183 A HN 0.517 nan 8.150 nan 0.000 0.442 184 G N -0.134 108.713 108.800 0.079 0.000 2.469 184 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 184 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 184 G C 1.571 176.516 174.900 0.074 0.000 1.150 184 G CA 1.192 46.340 45.100 0.081 0.000 0.763 184 G HN 0.431 nan 8.290 nan 0.000 0.561 185 L N -0.481 120.782 121.223 0.066 0.000 2.056 185 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 185 L C 2.936 179.845 176.870 0.066 0.000 1.078 185 L CA 1.332 56.207 54.840 0.059 0.000 0.749 185 L CB -0.306 41.779 42.059 0.045 0.000 0.901 185 L HN 0.226 nan 8.230 nan 0.000 0.433 186 Q N 0.014 119.858 119.800 0.073 0.000 2.224 186 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 186 Q C 2.128 178.193 176.000 0.109 0.000 0.970 186 Q CA 1.608 57.467 55.803 0.093 0.000 0.865 186 Q CB -0.136 28.664 28.738 0.104 0.000 0.922 186 Q HN 0.439 nan 8.270 nan 0.000 0.445 187 A N 0.019 122.897 122.820 0.096 0.000 1.902 187 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 187 A C 2.057 179.697 177.584 0.094 0.000 1.181 187 A CA 1.389 53.481 52.037 0.091 0.000 0.623 187 A CB -0.653 18.398 19.000 0.084 0.000 0.818 187 A HN 0.447 nan 8.150 nan 0.000 0.443 188 I N -0.184 120.436 120.570 0.083 0.000 2.179 188 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 188 I C 3.002 179.169 176.117 0.084 0.000 1.088 188 I CA 1.135 62.480 61.300 0.076 0.000 1.357 188 I CB -0.375 37.662 38.000 0.062 0.000 1.051 188 I HN 0.350 nan 8.210 nan 0.000 0.409 189 A N 0.369 123.237 122.820 0.081 0.000 1.883 189 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 189 A C 2.393 180.036 177.584 0.098 0.000 1.186 189 A CA 2.652 54.738 52.037 0.081 0.000 0.624 189 A CB -1.208 17.836 19.000 0.074 0.000 0.822 189 A HN 0.423 nan 8.150 nan 0.000 0.444 190 T N 0.097 114.721 114.554 0.116 0.000 2.821 190 T HA 0.089 4.439 4.350 -0.000 0.000 0.267 190 T C 2.179 176.941 174.700 0.104 0.000 1.046 190 T CA 1.364 63.533 62.100 0.116 0.000 1.139 190 T CB -0.365 68.577 68.868 0.123 0.000 0.871 190 T HN 0.584 nan 8.240 nan 0.000 0.454 191 A N 1.561 124.476 122.820 0.159 0.000 1.897 191 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 191 A C 2.226 179.962 177.584 0.254 0.000 1.181 191 A CA 1.703 53.927 52.037 0.312 0.000 0.620 191 A CB -0.444 18.733 19.000 0.294 0.000 0.821 191 A HN 0.342 nan 8.150 nan 0.000 0.443 192 K N 0.601 121.090 120.400 0.148 0.000 2.026 192 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 192 K C 2.240 178.906 176.600 0.110 0.000 1.048 192 K CA 1.804 58.156 56.287 0.109 0.000 0.929 192 K CB -0.292 32.253 32.500 0.075 0.000 0.713 192 K HN 0.596 nan 8.250 nan 0.000 0.439 193 R N 0.336 120.897 120.500 0.102 0.000 2.189 193 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 193 R C 1.800 178.156 176.300 0.093 0.000 1.092 193 R CA 1.280 57.431 56.100 0.085 0.000 0.989 193 R CB -0.529 29.814 30.300 0.072 0.000 0.876 193 R HN 0.207 nan 8.270 nan 0.000 0.457 194 L N 0.412 121.710 121.223 0.125 0.000 2.478 194 L HA 0.132 4.472 4.340 -0.000 0.000 0.223 194 L C 1.105 178.107 176.870 0.220 0.000 1.140 194 L CA 0.960 55.886 54.840 0.143 0.000 0.842 194 L CB 0.095 42.196 42.059 0.069 0.000 0.953 194 L HN 0.724 nan 8.230 nan 0.000 0.452 195 G N -0.856 108.060 108.800 0.193 0.000 2.184 195 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.206 195 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.206 195 G C 0.326 175.293 174.900 0.112 0.000 0.995 195 G CA -0.130 45.053 45.100 0.139 0.000 0.651 195 G HN 0.448 nan 8.290 nan 0.000 0.511 196 A N -0.075 122.823 122.820 0.131 0.000 2.351 196 A HA 0.706 5.026 4.320 -0.000 0.000 0.257 196 A C 0.658 178.228 177.584 -0.024 0.000 1.087 196 A CA 0.204 52.219 52.037 -0.037 0.000 0.798 196 A CB 0.946 19.802 19.000 -0.240 0.000 1.033 196 A HN 1.132 nan 8.150 nan 0.000 0.488 197 V N 2.415 122.290 119.914 -0.065 0.000 2.455 197 V HA 0.292 4.412 4.120 -0.000 0.000 0.273 197 V C -0.137 175.919 176.094 -0.063 0.000 1.045 197 V CA -0.124 62.149 62.300 -0.046 0.000 0.976 197 V CB 0.889 32.683 31.823 -0.048 0.000 0.993 197 V HN 0.540 nan 8.190 nan 0.000 0.475 198 V N 6.811 126.704 119.914 -0.035 0.000 2.378 198 V HA 0.484 4.604 4.120 -0.000 0.000 0.288 198 V C 0.041 176.110 176.094 -0.042 0.000 1.016 198 V CA -0.530 61.749 62.300 -0.035 0.000 0.840 198 V CB 1.401 33.226 31.823 0.004 0.000 0.994 198 V HN 0.776 nan 8.190 nan 0.000 0.431 199 M N 3.629 123.183 119.600 -0.077 0.000 2.471 199 M HA 0.891 5.371 4.480 -0.000 0.000 0.309 199 M C -0.002 176.213 176.300 -0.142 0.000 1.186 199 M CA -0.020 55.214 55.300 -0.111 0.000 1.008 199 M CB 1.887 34.397 32.600 -0.151 0.000 1.551 199 M HN 0.857 nan 8.290 nan 0.000 0.477 200 A N 0.156 122.862 122.820 -0.191 0.000 2.612 200 A HA 0.821 5.141 4.320 -0.000 0.000 0.293 200 A C -1.065 176.262 177.584 -0.428 0.000 1.075 200 A CA -0.569 51.333 52.037 -0.226 0.000 0.680 200 A CB 1.672 20.649 19.000 -0.039 0.000 1.279 200 A HN 0.661 nan 8.150 nan 0.000 0.411 201 T N -0.248 114.050 114.554 -0.426 0.000 2.853 201 T HA 0.668 5.018 4.350 -0.000 0.000 0.311 201 T C -2.319 172.331 174.700 -0.084 0.000 1.307 201 T CA -0.225 61.544 62.100 -0.552 0.000 1.019 201 T CB 1.863 70.368 68.868 -0.604 0.000 1.264 201 T HN 0.969 nan 8.240 nan 0.000 0.497 202 D N 0.165 120.644 120.400 0.131 0.000 2.694 202 D HA 0.213 4.853 4.640 -0.000 0.000 0.260 202 D C 1.153 177.643 176.300 0.317 0.000 1.250 202 D CA -0.086 54.067 54.000 0.255 0.000 0.763 202 D CB 1.770 42.742 40.800 0.286 0.000 1.311 202 D HN 0.452 nan 8.370 nan 0.000 0.420 203 V N 0.199 120.236 119.914 0.205 0.000 2.649 203 V HA 0.287 4.407 4.120 -0.000 0.000 0.248 203 V C 1.010 177.148 176.094 0.074 0.000 1.054 203 V CA 0.614 62.980 62.300 0.110 0.000 1.073 203 V CB -0.413 31.356 31.823 -0.089 0.000 0.699 203 V HN 0.302 nan 8.190 nan 0.000 0.463 204 R N 0.667 121.208 120.500 0.069 0.000 2.389 204 R HA 0.535 4.875 4.340 -0.000 0.000 0.295 204 R C 1.512 177.807 176.300 -0.008 0.000 1.075 204 R CA 0.376 56.487 56.100 0.018 0.000 1.005 204 R CB 1.191 31.495 30.300 0.007 0.000 0.987 204 R HN 0.431 nan 8.270 nan 0.000 0.452 205 A N 3.358 126.158 122.820 -0.033 0.000 1.940 205 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 205 A C 2.153 179.656 177.584 -0.136 0.000 1.176 205 A CA 1.893 53.883 52.037 -0.077 0.000 0.631 205 A CB -0.470 18.501 19.000 -0.049 0.000 0.814 205 A HN 0.853 nan 8.150 nan 0.000 0.446 206 A N -0.943 121.818 122.820 -0.099 0.000 2.024 206 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 206 A C 2.216 179.717 177.584 -0.139 0.000 1.164 206 A CA 2.195 54.170 52.037 -0.103 0.000 0.643 206 A CB -1.197 17.762 19.000 -0.068 0.000 0.806 206 A HN 0.444 nan 8.150 nan 0.000 0.451 207 T N -0.250 114.211 114.554 -0.155 0.000 2.720 207 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 207 T C 1.932 176.435 174.700 -0.329 0.000 1.037 207 T CA 1.760 63.767 62.100 -0.155 0.000 1.144 207 T CB -0.198 68.654 68.868 -0.026 0.000 0.864 207 T HN 0.669 nan 8.240 nan 0.000 0.444 208 K N 0.986 120.952 120.400 -0.724 0.000 2.020 208 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 208 K C 2.366 178.772 176.600 -0.323 0.000 1.050 208 K CA 1.903 57.636 56.287 -0.924 0.000 0.929 208 K CB -0.143 31.805 32.500 -0.921 0.000 0.714 208 K HN 0.397 nan 8.250 nan 0.000 0.443 209 E N 0.123 120.189 120.200 -0.224 0.000 2.110 209 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 209 E C 2.093 178.651 176.600 -0.070 0.000 0.988 209 E CA 1.354 57.687 56.400 -0.112 0.000 0.804 209 E CB 0.089 29.734 29.700 -0.092 0.000 0.745 209 E HN 0.425 nan 8.360 nan 0.000 0.458 210 Q N -0.205 119.551 119.800 -0.074 0.000 2.124 210 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 210 Q C 2.296 178.298 176.000 0.003 0.000 0.977 210 Q CA 1.539 57.323 55.803 -0.030 0.000 0.850 210 Q CB 0.093 28.815 28.738 -0.026 0.000 0.901 210 Q HN 0.209 nan 8.270 nan 0.000 0.429 211 V N 1.106 121.032 119.914 0.020 0.000 2.358 211 V HA -0.242 3.877 4.120 -0.000 0.000 0.246 211 V C 1.778 177.904 176.094 0.052 0.000 1.047 211 V CA 1.939 64.283 62.300 0.073 0.000 1.035 211 V CB -0.405 31.530 31.823 0.186 0.000 0.658 211 V HN 0.349 nan 8.190 nan 0.000 0.452 212 E N 0.615 120.833 120.200 0.031 0.000 2.204 212 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 212 E C 2.261 178.869 176.600 0.013 0.000 0.989 212 E CA 1.334 57.748 56.400 0.023 0.000 0.824 212 E CB -0.207 29.498 29.700 0.007 0.000 0.756 212 E HN 0.742 nan 8.360 nan 0.000 0.477 213 S N 0.377 116.080 115.700 0.006 0.000 2.474 213 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 213 S C 1.570 176.179 174.600 0.015 0.000 0.997 213 S CA 0.616 58.819 58.200 0.006 0.000 0.949 213 S CB -0.074 63.125 63.200 -0.002 0.000 0.766 213 S HN 0.187 nan 8.310 nan 0.000 0.517 214 L N 1.056 122.293 121.223 0.023 0.000 2.872 214 L HA 0.431 4.771 4.340 -0.000 0.000 0.245 214 L C 1.547 178.437 176.870 0.033 0.000 1.211 214 L CA 0.122 54.981 54.840 0.030 0.000 1.013 214 L CB -0.188 41.894 42.059 0.038 0.000 1.326 214 L HN 0.502 nan 8.230 nan 0.000 0.525 215 G N 0.117 108.934 108.800 0.028 0.000 2.168 215 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 215 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 215 G C 0.537 175.454 174.900 0.029 0.000 0.997 215 G CA 0.099 45.215 45.100 0.027 0.000 0.708 215 G HN 0.536 nan 8.290 nan 0.000 0.520 216 G N -0.868 107.953 108.800 0.036 0.000 2.502 216 G HA2 0.601 4.561 3.960 -0.000 0.000 0.305 216 G HA3 0.601 4.561 3.960 -0.000 0.000 0.305 216 G C -0.270 174.657 174.900 0.045 0.000 1.190 216 G CA -0.698 44.423 45.100 0.036 0.000 0.933 216 G HN 0.344 nan 8.290 nan 0.000 0.503 217 K N 0.072 120.492 120.400 0.033 0.000 2.265 217 K HA 0.301 4.621 4.320 -0.000 0.000 0.267 217 K C -1.179 175.458 176.600 0.063 0.000 0.994 217 K CA -0.472 55.841 56.287 0.044 0.000 0.860 217 K CB 1.796 34.299 32.500 0.005 0.000 1.099 217 K HN 0.360 nan 8.250 nan 0.000 0.448 218 F N 4.018 123.945 119.950 -0.038 0.000 2.412 218 F HA 0.307 4.834 4.527 -0.000 0.000 0.348 218 F C -0.098 175.671 175.800 -0.051 0.000 1.102 218 F CA -0.515 57.459 58.000 -0.044 0.000 1.196 218 F CB 0.499 39.483 39.000 -0.026 0.000 1.144 218 F HN 0.382 nan 8.300 nan 0.000 0.541 219 I N 5.861 125.995 120.570 -0.727 0.000 2.287 219 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 219 I C 0.081 175.839 176.117 -0.597 0.000 1.069 219 I CA -0.453 60.543 61.300 -0.507 0.000 1.237 219 I CB 0.564 38.300 38.000 -0.440 0.000 1.418 219 I HN 0.614 nan 8.210 nan 0.000 0.481 220 T N 2.777 117.262 114.554 -0.116 0.000 2.913 220 T HA 0.315 4.665 4.350 -0.000 0.000 0.297 220 T C 0.913 175.607 174.700 -0.010 0.000 1.029 220 T CA -0.524 61.644 62.100 0.113 0.000 1.104 220 T CB 1.974 70.969 68.868 0.211 0.000 0.964 220 T HN 0.437 nan 8.240 nan 0.000 0.532 221 V N -1.705 118.222 119.914 0.022 0.000 3.137 221 V HA 0.454 4.574 4.120 -0.000 0.000 0.236 221 V C -0.034 176.034 176.094 -0.043 0.000 1.260 221 V CA 0.614 62.862 62.300 -0.086 0.000 1.244 221 V CB 0.065 31.733 31.823 -0.259 0.000 1.016 221 V HN 0.917 nan 8.190 nan 0.000 0.477 222 D N 0.818 121.268 120.400 0.085 0.000 2.474 222 D HA 0.165 4.805 4.640 -0.000 0.000 0.234 222 D C 0.242 176.665 176.300 0.206 0.000 1.323 222 D CA 0.422 54.502 54.000 0.133 0.000 0.915 222 D CB 0.690 41.576 40.800 0.142 0.000 1.487 222 D HN 0.523 nan 8.370 nan 0.000 0.524 223 D N 1.188 121.674 120.400 0.143 0.000 2.178 223 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 223 D C 0.736 177.092 176.300 0.093 0.000 0.980 223 D CA 0.650 54.722 54.000 0.120 0.000 0.842 223 D CB 0.139 40.988 40.800 0.081 0.000 0.948 223 D HN 0.217 nan 8.370 nan 0.000 0.472 224 E N -0.299 119.952 120.200 0.085 0.000 1.775 224 E HA 0.414 4.764 4.350 -0.000 0.000 0.266 224 E C 0.051 176.707 176.600 0.093 0.000 1.191 224 E CA 0.223 56.665 56.400 0.070 0.000 1.048 224 E CB -0.283 29.450 29.700 0.055 0.000 1.081 224 E HN 0.351 nan 8.360 nan 0.000 0.434 225 A N 3.892 126.762 122.820 0.083 0.000 3.466 225 A HA -0.112 4.208 4.320 -0.000 0.000 0.210 225 A C 1.360 178.948 177.584 0.006 0.000 1.470 225 A CA 0.377 52.457 52.037 0.071 0.000 1.225 225 A CB -1.042 18.071 19.000 0.187 0.000 0.828 225 A HN 0.398 nan 8.150 nan 0.000 0.401 226 M N 0.751 120.385 119.600 0.057 0.000 2.460 226 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 226 M C 1.703 178.003 176.300 -0.001 0.000 1.071 226 M CA 1.519 56.834 55.300 0.024 0.000 1.096 226 M CB -0.468 32.191 32.600 0.098 0.000 1.408 226 M HN 0.503 nan 8.290 nan 0.000 0.463 227 K N 0.261 120.665 120.400 0.006 0.000 2.032 227 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 227 K C 1.889 178.481 176.600 -0.013 0.000 1.048 227 K CA 1.987 58.272 56.287 -0.004 0.000 0.927 227 K CB -0.396 32.106 32.500 0.004 0.000 0.712 227 K HN 0.437 nan 8.250 nan 0.000 0.441 228 T N -2.195 112.348 114.554 -0.019 0.000 3.107 228 T HA 0.285 4.635 4.350 -0.000 0.000 0.249 228 T C 1.705 176.382 174.700 -0.038 0.000 1.096 228 T CA 0.314 62.400 62.100 -0.023 0.000 1.012 228 T CB 0.421 69.277 68.868 -0.020 0.000 0.977 228 T HN 0.117 nan 8.240 nan 0.000 0.527 229 A N 1.203 123.990 122.820 -0.055 0.000 2.014 229 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 229 A C 1.177 178.741 177.584 -0.033 0.000 1.163 229 A CA 0.449 52.440 52.037 -0.076 0.000 0.652 229 A CB -0.289 18.645 19.000 -0.109 0.000 0.808 229 A HN 0.665 nan 8.150 nan 0.000 0.449 230 E N 1.054 121.243 120.200 -0.018 0.000 2.200 230 E HA 0.341 4.691 4.350 -0.000 0.000 0.283 230 E C 0.212 176.819 176.600 0.011 0.000 1.015 230 E CA -0.117 56.282 56.400 -0.001 0.000 0.819 230 E CB 0.737 30.429 29.700 -0.013 0.000 1.081 230 E HN 0.461 nan 8.360 nan 0.000 0.397 231 T N 1.024 115.602 114.554 0.039 0.000 2.754 231 T HA 0.309 4.659 4.350 -0.000 0.000 0.286 231 T C 1.329 176.052 174.700 0.040 0.000 0.997 231 T CA -0.086 62.044 62.100 0.050 0.000 0.982 231 T CB 1.317 70.243 68.868 0.096 0.000 1.027 231 T HN 0.483 nan 8.240 nan 0.000 0.529 232 A N 0.414 123.259 122.820 0.042 0.000 1.940 232 A HA 0.133 4.453 4.320 -0.000 0.000 0.219 232 A C 2.312 179.916 177.584 0.034 0.000 1.176 232 A CA 1.649 53.705 52.037 0.031 0.000 0.631 232 A CB -1.529 17.490 19.000 0.032 0.000 0.814 232 A HN 1.120 nan 8.150 nan 0.000 0.446 233 G N -2.468 106.375 108.800 0.071 0.000 3.088 233 G HA2 0.378 4.338 3.960 -0.000 0.000 0.212 233 G HA3 0.378 4.338 3.960 -0.000 0.000 0.212 233 G C 1.114 175.974 174.900 -0.065 0.000 1.173 233 G CA 0.556 45.695 45.100 0.066 0.000 0.779 233 G HN 1.650 nan 8.290 nan 0.000 0.540 234 G N -1.391 107.370 108.800 -0.066 0.000 2.175 234 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 234 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 234 G C 0.222 175.003 174.900 -0.197 0.000 0.982 234 G CA 0.123 45.129 45.100 -0.155 0.000 0.641 234 G HN 0.441 nan 8.290 nan 0.000 0.527 235 Y N 0.943 121.246 120.300 0.006 0.000 2.326 235 Y HA 0.589 5.138 4.550 -0.000 0.000 0.324 235 Y C 1.037 176.937 175.900 0.001 0.000 1.291 235 Y CA -0.012 58.092 58.100 0.008 0.000 1.348 235 Y CB 1.041 39.507 38.460 0.009 0.000 1.294 235 Y HN 0.392 nan 8.280 nan 0.000 0.525 236 A N 2.796 125.733 122.820 0.194 0.000 2.354 236 A HA 0.353 4.673 4.320 -0.000 0.000 0.269 236 A C -0.247 177.376 177.584 0.064 0.000 1.109 236 A CA -0.828 51.262 52.037 0.089 0.000 0.800 236 A CB 0.249 19.294 19.000 0.074 0.000 1.045 236 A HN 0.703 nan 8.150 nan 0.000 0.489 237 K N 1.381 121.790 120.400 0.014 0.000 2.098 237 K HA 0.233 4.553 4.320 -0.000 0.000 0.244 237 K C -0.337 176.251 176.600 -0.019 0.000 1.014 237 K CA -0.403 55.883 56.287 -0.003 0.000 0.917 237 K CB 0.759 33.247 32.500 -0.021 0.000 1.072 237 K HN 0.765 nan 8.250 nan 0.000 0.477 238 E N 0.922 121.113 120.200 -0.015 0.000 2.376 238 E HA -0.048 4.302 4.350 -0.000 0.000 0.266 238 E C 0.454 177.035 176.600 -0.033 0.000 1.009 238 E CA -0.024 56.368 56.400 -0.013 0.000 0.902 238 E CB 0.641 30.339 29.700 -0.003 0.000 0.972 238 E HN 0.313 nan 8.360 nan 0.000 0.439 239 M N 1.763 121.343 119.600 -0.033 0.000 2.534 239 M HA 0.188 4.668 4.480 -0.000 0.000 0.263 239 M C 0.330 176.632 176.300 0.004 0.000 1.152 239 M CA 0.940 56.189 55.300 -0.085 0.000 1.145 239 M CB 0.615 33.125 32.600 -0.151 0.000 1.333 239 M HN 0.690 nan 8.290 nan 0.000 0.477 240 G N 0.144 108.973 108.800 0.050 0.000 2.692 240 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 240 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 240 G C 0.118 175.085 174.900 0.112 0.000 1.243 240 G CA -0.259 44.883 45.100 0.070 0.000 0.782 240 G HN 0.222 nan 8.290 nan 0.000 0.625 241 E N -0.098 120.151 120.200 0.082 0.000 2.153 241 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 241 E C 2.257 178.907 176.600 0.083 0.000 0.988 241 E CA 1.182 57.627 56.400 0.076 0.000 0.811 241 E CB 0.015 29.743 29.700 0.046 0.000 0.746 241 E HN 0.601 nan 8.360 nan 0.000 0.466 242 E N 0.066 120.321 120.200 0.091 0.000 2.058 242 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 242 E C 1.936 178.602 176.600 0.109 0.000 0.997 242 E CA 0.813 57.264 56.400 0.085 0.000 0.801 242 E CB -0.311 29.441 29.700 0.086 0.000 0.746 242 E HN 0.229 nan 8.360 nan 0.000 0.450 243 F N 1.342 121.304 119.950 0.019 0.000 2.128 243 F HA -0.091 4.436 4.527 -0.000 0.000 0.295 243 F C 2.660 178.475 175.800 0.025 0.000 1.100 243 F CA 1.450 59.464 58.000 0.024 0.000 1.260 243 F CB -0.140 38.878 39.000 0.030 0.000 1.009 243 F HN -0.109 nan 8.300 nan 0.000 0.476 244 R N 0.827 121.470 120.500 0.237 0.000 2.103 244 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 244 R C 2.219 178.520 176.300 0.002 0.000 1.142 244 R CA 2.017 58.200 56.100 0.138 0.000 0.960 244 R CB -0.319 30.062 30.300 0.135 0.000 0.858 244 R HN 0.274 nan 8.270 nan 0.000 0.439 245 K N 0.249 120.644 120.400 -0.008 0.000 2.063 245 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 245 K C 2.194 178.743 176.600 -0.085 0.000 1.048 245 K CA 1.719 57.986 56.287 -0.034 0.000 0.928 245 K CB -0.087 32.401 32.500 -0.019 0.000 0.713 245 K HN 0.095 nan 8.250 nan 0.000 0.442 246 K N 0.875 121.185 120.400 -0.149 0.000 2.155 246 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 246 K C 2.219 178.657 176.600 -0.270 0.000 1.052 246 K CA 1.112 57.276 56.287 -0.205 0.000 0.948 246 K CB 0.138 32.489 32.500 -0.249 0.000 0.728 246 K HN 0.143 nan 8.250 nan 0.000 0.448 247 Q N 0.017 119.601 119.800 -0.360 0.000 2.046 247 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 247 Q C 1.893 177.834 176.000 -0.099 0.000 0.975 247 Q CA 1.559 57.197 55.803 -0.276 0.000 0.836 247 Q CB -0.158 28.452 28.738 -0.212 0.000 0.896 247 Q HN 0.373 nan 8.270 nan 0.000 0.428 248 A N 0.977 123.765 122.820 -0.053 0.000 1.902 248 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 248 A C 1.934 179.502 177.584 -0.027 0.000 1.181 248 A CA 1.731 53.762 52.037 -0.010 0.000 0.623 248 A CB -0.776 18.217 19.000 -0.011 0.000 0.818 248 A HN 0.651 nan 8.150 nan 0.000 0.443 249 E N -0.101 120.067 120.200 -0.054 0.000 2.031 249 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 249 E C 2.184 178.747 176.600 -0.061 0.000 0.994 249 E CA 1.197 57.564 56.400 -0.054 0.000 0.800 249 E CB -0.287 29.376 29.700 -0.062 0.000 0.752 249 E HN 0.506 nan 8.360 nan 0.000 0.447 250 A N 0.747 123.515 122.820 -0.087 0.000 1.933 250 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 250 A C 2.334 179.863 177.584 -0.092 0.000 1.175 250 A CA 1.379 53.358 52.037 -0.096 0.000 0.628 250 A CB -0.590 18.331 19.000 -0.131 0.000 0.814 250 A HN 0.300 nan 8.150 nan 0.000 0.444 251 V N 0.029 119.897 119.914 -0.077 0.000 3.041 251 V HA -0.066 4.054 4.120 -0.000 0.000 0.260 251 V C 2.115 178.199 176.094 -0.017 0.000 1.105 251 V CA 1.049 63.310 62.300 -0.064 0.000 1.125 251 V CB -0.220 31.601 31.823 -0.003 0.000 0.730 251 V HN 0.586 nan 8.190 nan 0.000 0.479 252 L N 0.589 121.805 121.223 -0.012 0.000 2.042 252 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 252 L C 2.389 179.249 176.870 -0.017 0.000 1.076 252 L CA 2.676 57.512 54.840 -0.006 0.000 0.749 252 L CB -0.923 41.126 42.059 -0.017 0.000 0.893 252 L HN 0.409 nan 8.230 nan 0.000 0.432 253 K N -0.420 119.961 120.400 -0.032 0.000 2.044 253 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 253 K C 1.837 178.415 176.600 -0.037 0.000 1.049 253 K CA 1.741 58.008 56.287 -0.034 0.000 0.927 253 K CB 0.069 32.545 32.500 -0.041 0.000 0.713 253 K HN 0.319 nan 8.250 nan 0.000 0.443 254 E N 0.585 120.755 120.200 -0.050 0.000 2.107 254 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 254 E C 1.981 178.560 176.600 -0.036 0.000 0.982 254 E CA 0.556 56.921 56.400 -0.057 0.000 0.809 254 E CB -0.174 29.469 29.700 -0.095 0.000 0.756 254 E HN 0.246 nan 8.360 nan 0.000 0.459 255 L N 0.712 121.931 121.223 -0.007 0.000 2.201 255 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 255 L C 2.132 179.006 176.870 0.006 0.000 1.105 255 L CA 0.911 55.771 54.840 0.032 0.000 0.775 255 L CB -0.133 41.980 42.059 0.091 0.000 0.913 255 L HN -0.121 nan 8.230 nan 0.000 0.440 256 V N -0.656 119.254 119.914 -0.006 0.000 2.515 256 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 256 V C 2.285 178.371 176.094 -0.015 0.000 1.058 256 V CA 1.697 63.990 62.300 -0.011 0.000 1.064 256 V CB -0.608 31.207 31.823 -0.014 0.000 0.675 256 V HN 0.453 nan 8.190 nan 0.000 0.461 257 K N -0.686 119.701 120.400 -0.022 0.000 2.400 257 K HA 0.077 4.397 4.320 -0.000 0.000 0.194 257 K C 0.711 177.285 176.600 -0.044 0.000 1.033 257 K CA 0.139 56.409 56.287 -0.028 0.000 1.021 257 K CB 0.075 32.556 32.500 -0.032 0.000 0.808 257 K HN 0.371 nan 8.250 nan 0.000 0.505 258 T N 1.942 116.467 114.554 -0.049 0.000 2.901 258 T HA 0.019 4.369 4.350 -0.000 0.000 0.301 258 T C 0.509 175.139 174.700 -0.117 0.000 1.012 258 T CA -0.112 61.940 62.100 -0.081 0.000 1.135 258 T CB 1.073 69.914 68.868 -0.045 0.000 0.936 258 T HN 0.062 nan 8.240 nan 0.000 0.539 259 D N 1.711 121.974 120.400 -0.229 0.000 2.269 259 D HA 0.140 4.780 4.640 -0.000 0.000 0.220 259 D C 0.475 176.495 176.300 -0.468 0.000 0.962 259 D CA 0.880 54.635 54.000 -0.408 0.000 0.884 259 D CB 0.445 40.793 40.800 -0.754 0.000 1.023 259 D HN 0.426 nan 8.370 nan 0.000 0.484 260 I N 0.982 121.305 120.570 -0.412 0.000 2.439 260 I HA 0.349 4.519 4.170 -0.000 0.000 0.283 260 I C -0.702 175.357 176.117 -0.096 0.000 1.023 260 I CA -0.712 60.430 61.300 -0.263 0.000 1.100 260 I CB 2.130 39.964 38.000 -0.278 0.000 1.238 260 I HN -0.192 nan 8.210 nan 0.000 0.445 261 A N 8.031 130.839 122.820 -0.019 0.000 2.253 261 A HA 0.735 5.055 4.320 -0.000 0.000 0.316 261 A C -0.432 177.205 177.584 0.088 0.000 1.327 261 A CA -0.324 51.766 52.037 0.087 0.000 0.917 261 A CB 0.125 19.184 19.000 0.099 0.000 1.162 261 A HN 0.695 nan 8.150 nan 0.000 0.535 262 I N 3.329 123.980 120.570 0.135 0.000 2.312 262 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 262 I C 0.444 176.663 176.117 0.170 0.000 1.008 262 I CA -0.115 61.255 61.300 0.116 0.000 1.226 262 I CB 1.829 39.890 38.000 0.101 0.000 1.371 262 I HN 0.694 nan 8.210 nan 0.000 0.468 263 T N 0.733 115.350 114.554 0.105 0.000 2.779 263 T HA 0.416 4.766 4.350 -0.000 0.000 0.280 263 T C 0.452 175.204 174.700 0.086 0.000 0.987 263 T CA -0.467 61.695 62.100 0.103 0.000 0.966 263 T CB 1.525 70.362 68.868 -0.053 0.000 0.933 263 T HN 0.687 nan 8.240 nan 0.000 0.442 264 T N -0.721 113.903 114.554 0.116 0.000 3.144 264 T HA 0.524 4.873 4.350 -0.000 0.000 0.290 264 T C 0.701 175.460 174.700 0.098 0.000 0.966 264 T CA -0.021 62.138 62.100 0.097 0.000 0.907 264 T CB -0.056 68.873 68.868 0.101 0.000 1.152 264 T HN 0.989 nan 8.240 nan 0.000 0.532 265 A N 1.908 124.791 122.820 0.105 0.000 2.409 265 A HA 0.722 5.042 4.320 -0.000 0.000 0.262 265 A C -0.259 177.376 177.584 0.085 0.000 1.113 265 A CA -0.275 51.826 52.037 0.107 0.000 0.790 265 A CB 0.063 19.136 19.000 0.122 0.000 1.046 265 A HN 0.638 nan 8.150 nan 0.000 0.496 266 L N 2.276 123.556 121.223 0.095 0.000 2.393 266 L HA 0.610 4.950 4.340 -0.000 0.000 0.260 266 L C -0.874 176.044 176.870 0.080 0.000 1.002 266 L CA -0.518 54.370 54.840 0.080 0.000 0.818 266 L CB 2.243 44.356 42.059 0.090 0.000 1.369 266 L HN 0.604 nan 8.230 nan 0.000 0.412 267 I N 2.024 122.615 120.570 0.036 0.000 2.466 267 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 267 I C -2.360 173.715 176.117 -0.070 0.000 1.026 267 I CA -1.975 59.327 61.300 0.003 0.000 1.078 267 I CB 2.140 40.143 38.000 0.006 0.000 1.249 267 I HN 0.252 nan 8.210 nan 0.000 0.429 268 P HA 0.106 nan 4.420 nan 0.000 0.263 268 P C 0.933 178.146 177.300 -0.146 0.000 1.195 268 P CA 0.795 63.740 63.100 -0.259 0.000 0.762 268 P CB 0.673 32.063 31.700 -0.517 0.000 0.799 269 G N 2.520 111.256 108.800 -0.106 0.000 2.498 269 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.229 269 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.229 269 G C 0.204 175.080 174.900 -0.042 0.000 1.156 269 G CA -0.071 44.988 45.100 -0.068 0.000 0.680 269 G HN 0.517 nan 8.290 nan 0.000 0.512 270 K N 2.009 122.387 120.400 -0.037 0.000 2.090 270 K HA 0.538 4.858 4.320 -0.000 0.000 0.250 270 K C -2.119 174.475 176.600 -0.011 0.000 1.004 270 K CA -1.797 54.478 56.287 -0.020 0.000 0.919 270 K CB 0.528 33.019 32.500 -0.015 0.000 1.045 270 K HN 0.312 nan 8.250 nan 0.000 0.471 271 P HA 0.087 nan 4.420 nan 0.000 0.272 271 P C -0.719 176.584 177.300 0.006 0.000 1.223 271 P CA -0.336 62.765 63.100 0.001 0.000 0.784 271 P CB 0.431 32.131 31.700 0.001 0.000 0.923 272 A N 4.039 126.865 122.820 0.009 0.000 2.462 272 A HA 0.383 4.703 4.320 -0.000 0.000 0.243 272 A C -1.872 175.722 177.584 0.017 0.000 1.076 272 A CA -1.036 51.011 52.037 0.017 0.000 0.773 272 A CB -1.155 17.856 19.000 0.017 0.000 1.010 272 A HN 0.448 nan 8.150 nan 0.000 0.493 273 P HA 0.196 nan 4.420 nan 0.000 0.276 273 P C -0.514 176.798 177.300 0.020 0.000 1.230 273 P CA -0.151 62.970 63.100 0.034 0.000 0.776 273 P CB 0.820 32.555 31.700 0.058 0.000 0.888 274 V N 5.304 125.225 119.914 0.012 0.000 2.421 274 V HA -0.016 4.104 4.120 -0.000 0.000 0.271 274 V C 1.688 177.775 176.094 -0.012 0.000 1.031 274 V CA 0.585 62.877 62.300 -0.012 0.000 1.032 274 V CB -0.301 31.516 31.823 -0.010 0.000 1.009 274 V HN 0.486 nan 8.190 nan 0.000 0.477 275 L N 5.309 126.493 121.223 -0.066 0.000 2.537 275 L HA 0.428 4.768 4.340 -0.000 0.000 0.224 275 L C 0.394 177.127 176.870 -0.228 0.000 1.065 275 L CA 0.481 55.266 54.840 -0.092 0.000 0.860 275 L CB 0.348 42.349 42.059 -0.097 0.000 1.086 275 L HN 0.427 nan 8.230 nan 0.000 0.482 276 I N 0.934 121.344 120.570 -0.268 0.000 2.420 276 I HA 0.166 4.336 4.170 -0.000 0.000 0.282 276 I C 0.450 176.490 176.117 -0.129 0.000 1.019 276 I CA -0.375 60.779 61.300 -0.242 0.000 1.130 276 I CB 1.869 39.667 38.000 -0.337 0.000 1.262 276 I HN 0.045 nan 8.210 nan 0.000 0.454 277 T N 0.344 114.847 114.554 -0.086 0.000 2.754 277 T HA 0.145 4.495 4.350 -0.000 0.000 0.286 277 T C 1.052 175.718 174.700 -0.056 0.000 0.997 277 T CA -0.313 61.752 62.100 -0.057 0.000 0.982 277 T CB 1.557 70.399 68.868 -0.044 0.000 1.027 277 T HN 0.708 nan 8.240 nan 0.000 0.529 278 E N 0.008 120.183 120.200 -0.041 0.000 2.077 278 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 278 E C 2.051 178.587 176.600 -0.106 0.000 0.989 278 E CA 1.439 57.816 56.400 -0.038 0.000 0.800 278 E CB -0.162 29.537 29.700 -0.002 0.000 0.746 278 E HN 0.866 nan 8.360 nan 0.000 0.452 279 E N -0.111 120.031 120.200 -0.095 0.000 2.118 279 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 279 E C 2.056 178.592 176.600 -0.108 0.000 0.992 279 E CA 1.506 57.838 56.400 -0.113 0.000 0.804 279 E CB -0.058 29.598 29.700 -0.073 0.000 0.741 279 E HN 0.365 nan 8.360 nan 0.000 0.458 280 M N -0.239 119.313 119.600 -0.080 0.000 2.159 280 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 280 M C 2.245 178.503 176.300 -0.071 0.000 1.063 280 M CA 0.935 56.196 55.300 -0.066 0.000 1.110 280 M CB 0.061 32.627 32.600 -0.057 0.000 1.374 280 M HN 0.051 nan 8.290 nan 0.000 0.411 281 V N 0.446 120.313 119.914 -0.078 0.000 2.407 281 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 281 V C 2.618 178.664 176.094 -0.080 0.000 1.055 281 V CA 2.311 64.581 62.300 -0.050 0.000 1.049 281 V CB -1.425 30.403 31.823 0.009 0.000 0.662 281 V HN 0.665 nan 8.190 nan 0.000 0.455 282 T N -1.642 112.780 114.554 -0.220 0.000 2.833 282 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 282 T C 1.658 176.295 174.700 -0.106 0.000 1.054 282 T CA 1.362 63.303 62.100 -0.265 0.000 1.135 282 T CB -0.313 68.321 68.868 -0.390 0.000 0.869 282 T HN 0.482 nan 8.240 nan 0.000 0.466 283 K N 0.217 120.568 120.400 -0.082 0.000 2.426 283 K HA 0.304 4.624 4.320 -0.000 0.000 0.193 283 K C 0.589 177.174 176.600 -0.025 0.000 1.028 283 K CA -0.029 56.230 56.287 -0.047 0.000 1.047 283 K CB -0.041 32.431 32.500 -0.045 0.000 0.821 283 K HN 0.442 nan 8.250 nan 0.000 0.513 284 M N 2.196 121.785 119.600 -0.019 0.000 2.241 284 M HA 0.049 4.529 4.480 -0.000 0.000 0.335 284 M C 0.267 176.572 176.300 0.008 0.000 1.122 284 M CA -0.076 55.222 55.300 -0.004 0.000 1.164 284 M CB 0.587 33.186 32.600 -0.002 0.000 1.459 284 M HN -0.015 nan 8.290 nan 0.000 0.461 285 K N 1.668 122.075 120.400 0.013 0.000 2.355 285 K HA 0.355 4.675 4.320 -0.000 0.000 0.270 285 K C -2.747 173.878 176.600 0.041 0.000 1.003 285 K CA -1.436 54.866 56.287 0.025 0.000 0.957 285 K CB -0.296 32.221 32.500 0.028 0.000 0.939 285 K HN 0.184 nan 8.250 nan 0.000 0.482 286 P HA 0.024 nan 4.420 nan 0.000 0.269 286 P C 0.532 177.878 177.300 0.076 0.000 1.215 286 P CA 0.697 63.828 63.100 0.052 0.000 0.780 286 P CB 0.658 32.381 31.700 0.039 0.000 0.898 287 G N 0.635 109.486 108.800 0.085 0.000 2.179 287 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 287 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 287 G C 0.464 175.500 174.900 0.227 0.000 0.977 287 G CA 0.188 45.369 45.100 0.135 0.000 0.641 287 G HN 0.597 nan 8.290 nan 0.000 0.533 288 S N -0.981 114.803 115.700 0.139 0.000 2.600 288 S HA 0.609 5.078 4.470 -0.000 0.000 0.265 288 S C 0.219 174.858 174.600 0.064 0.000 1.325 288 S CA 0.348 58.591 58.200 0.072 0.000 1.002 288 S CB 2.187 65.396 63.200 0.014 0.000 0.921 288 S HN 1.514 nan 8.310 nan 0.000 0.554 289 V N 2.435 122.352 119.914 0.006 0.000 2.841 289 V HA 0.651 4.771 4.120 -0.000 0.000 0.310 289 V C -1.585 174.504 176.094 -0.008 0.000 1.090 289 V CA -0.794 61.521 62.300 0.025 0.000 0.930 289 V CB 1.560 33.430 31.823 0.079 0.000 1.014 289 V HN 0.803 nan 8.190 nan 0.000 0.425 290 I N 6.577 127.146 120.570 -0.002 0.000 2.406 290 I HA 0.506 4.676 4.170 -0.000 0.000 0.290 290 I C -0.800 175.315 176.117 -0.003 0.000 0.999 290 I CA -0.731 60.560 61.300 -0.015 0.000 1.124 290 I CB 1.919 39.894 38.000 -0.042 0.000 1.289 290 I HN 0.394 nan 8.210 nan 0.000 0.441 291 I N 4.770 125.348 120.570 0.013 0.000 2.312 291 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 291 I C -0.321 175.805 176.117 0.014 0.000 1.008 291 I CA -0.190 61.124 61.300 0.025 0.000 1.226 291 I CB 1.038 39.072 38.000 0.058 0.000 1.371 291 I HN 0.514 nan 8.210 nan 0.000 0.468 292 D N 7.046 127.443 120.400 -0.004 0.000 2.485 292 D HA 0.274 4.914 4.640 -0.000 0.000 0.229 292 D C 1.093 177.400 176.300 0.011 0.000 1.101 292 D CA -0.263 53.732 54.000 -0.009 0.000 0.906 292 D CB 0.878 41.659 40.800 -0.032 0.000 1.019 292 D HN 0.404 nan 8.370 nan 0.000 0.516 293 L N 1.767 123.009 121.223 0.031 0.000 2.291 293 L HA -0.008 4.332 4.340 -0.000 0.000 0.214 293 L C 1.991 178.881 176.870 0.033 0.000 1.120 293 L CA 0.600 55.465 54.840 0.040 0.000 0.799 293 L CB -0.123 41.968 42.059 0.055 0.000 0.925 293 L HN 0.334 nan 8.230 nan 0.000 0.446 294 A N -0.642 122.194 122.820 0.027 0.000 2.259 294 A HA 0.020 4.340 4.320 -0.000 0.000 0.208 294 A C 2.150 179.740 177.584 0.009 0.000 1.201 294 A CA 0.269 52.320 52.037 0.023 0.000 0.824 294 A CB -0.362 18.653 19.000 0.025 0.000 0.838 294 A HN 0.166 nan 8.150 nan 0.000 0.485 295 V N 0.193 120.109 119.914 0.002 0.000 2.469 295 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 295 V C 2.051 178.143 176.094 -0.004 0.000 1.064 295 V CA 2.698 64.994 62.300 -0.007 0.000 1.066 295 V CB -0.404 31.411 31.823 -0.014 0.000 0.667 295 V HN 0.754 nan 8.190 nan 0.000 0.461 296 E N -0.022 120.178 120.200 0.000 0.000 2.347 296 E HA 0.069 4.419 4.350 -0.000 0.000 0.196 296 E C 1.414 178.016 176.600 0.003 0.000 1.008 296 E CA 0.753 57.152 56.400 -0.001 0.000 0.852 296 E CB -0.130 29.566 29.700 -0.007 0.000 0.783 296 E HN 0.636 nan 8.360 nan 0.000 0.505 297 A N 0.070 122.895 122.820 0.007 0.000 3.003 297 A HA 0.494 4.814 4.320 -0.000 0.000 0.301 297 A C 1.184 178.770 177.584 0.004 0.000 1.280 297 A CA 0.320 52.362 52.037 0.008 0.000 0.973 297 A CB -0.387 18.622 19.000 0.016 0.000 1.110 297 A HN 0.233 nan 8.150 nan 0.000 0.590 298 G N -1.010 107.790 108.800 -0.001 0.000 2.234 298 G HA2 0.181 4.141 3.960 -0.000 0.000 0.260 298 G HA3 0.181 4.141 3.960 -0.000 0.000 0.260 298 G C 1.416 176.310 174.900 -0.010 0.000 0.987 298 G CA 0.471 45.568 45.100 -0.005 0.000 0.625 298 G HN 2.617 nan 8.290 nan 0.000 0.532 299 G N -1.002 107.793 108.800 -0.009 0.000 2.777 299 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.686 299 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.686 299 G C 0.264 175.149 174.900 -0.025 0.000 1.177 299 G CA 0.505 45.594 45.100 -0.018 0.000 0.775 299 G HN 0.967 nan 8.290 nan 0.000 0.613 300 N N -0.534 118.144 118.700 -0.036 0.000 2.300 300 N HA 0.027 4.767 4.740 -0.000 0.000 0.179 300 N C 1.170 176.618 175.510 -0.102 0.000 1.016 300 N CA 1.201 54.214 53.050 -0.062 0.000 0.876 300 N CB 0.304 38.745 38.487 -0.077 0.000 0.979 300 N HN 0.661 nan 8.380 nan 0.000 0.432 301 C N 2.973 122.211 119.300 -0.102 0.000 2.225 301 C HA 0.364 4.824 4.460 -0.000 0.000 0.323 301 C C -1.498 173.457 174.990 -0.057 0.000 1.164 301 C CA -2.061 56.898 59.018 -0.098 0.000 1.565 301 C CB 0.304 27.976 27.740 -0.113 0.000 2.124 301 C HN 0.315 nan 8.230 nan 0.000 0.461 302 P HA -0.022 nan 4.420 nan 0.000 0.245 302 P C 1.220 178.508 177.300 -0.020 0.000 1.212 302 P CA 0.884 63.968 63.100 -0.027 0.000 0.774 302 P CB 0.065 31.752 31.700 -0.021 0.000 0.999 303 L N -0.089 121.123 121.223 -0.018 0.000 2.376 303 L HA -0.026 4.314 4.340 -0.000 0.000 0.219 303 L C 1.493 178.350 176.870 -0.022 0.000 1.133 303 L CA 0.325 55.158 54.840 -0.011 0.000 0.816 303 L CB -0.751 41.312 42.059 0.006 0.000 0.933 303 L HN 0.058 nan 8.230 nan 0.000 0.449 304 S N 0.041 115.723 115.700 -0.030 0.000 2.579 304 S HA 0.195 4.665 4.470 -0.000 0.000 0.275 304 S C -0.149 174.432 174.600 -0.033 0.000 1.345 304 S CA -0.488 57.689 58.200 -0.037 0.000 1.031 304 S CB 1.130 64.305 63.200 -0.043 0.000 0.892 304 S HN 0.202 nan 8.310 nan 0.000 0.529 305 E N 1.491 121.667 120.200 -0.039 0.000 2.256 305 E HA 0.406 4.756 4.350 -0.000 0.000 0.268 305 E C -2.882 173.697 176.600 -0.036 0.000 0.877 305 E CA -2.524 53.857 56.400 -0.032 0.000 0.757 305 E CB 1.876 31.558 29.700 -0.030 0.000 1.183 305 E HN 0.423 nan 8.360 nan 0.000 0.418 306 P HA 0.026 nan 4.420 nan 0.000 0.264 306 P C 0.557 177.848 177.300 -0.016 0.000 1.193 306 P CA 0.699 63.788 63.100 -0.018 0.000 0.763 306 P CB 0.496 32.189 31.700 -0.010 0.000 0.810 307 G N 1.711 110.506 108.800 -0.008 0.000 2.153 307 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.252 307 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.252 307 G C -0.079 174.816 174.900 -0.008 0.000 0.994 307 G CA 0.090 45.199 45.100 0.014 0.000 0.698 307 G HN 0.570 nan 8.290 nan 0.000 0.521 308 K N -0.694 119.669 120.400 -0.061 0.000 2.464 308 K HA 0.628 4.948 4.320 -0.000 0.000 0.253 308 K C -0.429 176.096 176.600 -0.125 0.000 0.933 308 K CA -0.984 55.263 56.287 -0.067 0.000 0.801 308 K CB 2.057 34.532 32.500 -0.042 0.000 1.271 308 K HN 0.111 nan 8.250 nan 0.000 0.430 309 I N 3.376 123.884 120.570 -0.103 0.000 2.304 309 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 309 I C -0.232 175.857 176.117 -0.046 0.000 1.018 309 I CA -0.917 60.328 61.300 -0.092 0.000 1.260 309 I CB 1.189 39.157 38.000 -0.053 0.000 1.390 309 I HN 0.241 nan 8.210 nan 0.000 0.475 310 V N 4.868 124.755 119.914 -0.045 0.000 2.555 310 V HA 0.583 4.703 4.120 -0.000 0.000 0.302 310 V C -0.271 175.807 176.094 -0.027 0.000 1.038 310 V CA -0.718 61.562 62.300 -0.034 0.000 0.887 310 V CB 1.679 33.479 31.823 -0.037 0.000 0.991 310 V HN 0.339 nan 8.190 nan 0.000 0.434 311 V N 4.690 124.588 119.914 -0.026 0.000 2.364 311 V HA 0.546 4.666 4.120 -0.000 0.000 0.272 311 V C 0.133 176.197 176.094 -0.051 0.000 1.036 311 V CA -0.324 61.962 62.300 -0.023 0.000 0.880 311 V CB 0.854 32.668 31.823 -0.015 0.000 0.991 311 V HN 1.000 nan 8.190 nan 0.000 0.460 312 K N 3.506 123.876 120.400 -0.050 0.000 2.535 312 K HA 0.491 4.811 4.320 -0.000 0.000 0.250 312 K C -0.360 176.203 176.600 -0.060 0.000 0.948 312 K CA -0.884 55.324 56.287 -0.132 0.000 0.796 312 K CB 1.262 33.701 32.500 -0.101 0.000 1.216 312 K HN 0.796 nan 8.250 nan 0.000 0.432 313 H N 0.668 119.734 119.070 -0.008 0.000 2.791 313 H HA -0.196 4.360 4.556 -0.000 0.000 0.302 313 H C 0.784 176.111 175.328 -0.002 0.000 1.198 313 H CA 1.211 57.255 56.048 -0.006 0.000 1.145 313 H CB -1.312 28.444 29.762 -0.009 0.000 1.385 313 H HN 1.210 nan 8.280 nan 0.000 0.409 314 G N -1.093 107.739 108.800 0.054 0.000 2.155 314 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 314 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 314 G C 0.220 175.151 174.900 0.051 0.000 0.983 314 G CA 0.389 45.516 45.100 0.044 0.000 0.676 314 G HN 0.514 nan 8.290 nan 0.000 0.528 315 V N 0.099 120.046 119.914 0.054 0.000 2.448 315 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 315 V C 0.478 176.591 176.094 0.032 0.000 1.025 315 V CA -0.892 61.437 62.300 0.048 0.000 0.859 315 V CB 1.859 33.711 31.823 0.048 0.000 0.988 315 V HN 0.316 nan 8.190 nan 0.000 0.431 316 K N 5.492 125.914 120.400 0.037 0.000 2.219 316 K HA 0.435 4.755 4.320 -0.000 0.000 0.280 316 K C -0.568 176.040 176.600 0.013 0.000 1.104 316 K CA -0.213 56.091 56.287 0.028 0.000 0.925 316 K CB 0.040 32.570 32.500 0.051 0.000 1.261 316 K HN 0.639 nan 8.250 nan 0.000 0.445 317 I N 5.244 125.810 120.570 -0.007 0.000 2.322 317 I HA 0.100 4.270 4.170 -0.000 0.000 0.292 317 I C -0.329 175.758 176.117 -0.051 0.000 1.060 317 I CA -0.848 60.437 61.300 -0.024 0.000 1.309 317 I CB 1.089 39.074 38.000 -0.026 0.000 1.415 317 I HN 0.190 nan 8.210 nan 0.000 0.492 318 V N 5.281 125.158 119.914 -0.061 0.000 2.481 318 V HA 0.628 4.748 4.120 -0.000 0.000 0.286 318 V C 0.785 176.790 176.094 -0.149 0.000 1.042 318 V CA -0.360 61.858 62.300 -0.136 0.000 0.928 318 V CB 1.498 33.263 31.823 -0.097 0.000 0.986 318 V HN 0.942 nan 8.190 nan 0.000 0.462 319 G N 2.420 111.078 108.800 -0.237 0.000 4.412 319 G HA2 0.236 4.196 3.960 -0.000 0.000 0.262 319 G HA3 0.236 4.196 3.960 -0.000 0.000 0.262 319 G C -0.270 174.550 174.900 -0.133 0.000 1.142 319 G CA -0.480 44.538 45.100 -0.137 0.000 0.783 319 G HN 0.663 nan 8.290 nan 0.000 0.533 320 H N 1.506 120.573 119.070 -0.004 0.000 2.848 320 H HA 0.195 4.751 4.556 -0.000 0.000 0.341 320 H C 0.982 176.300 175.328 -0.016 0.000 1.060 320 H CA 0.764 56.805 56.048 -0.012 0.000 1.444 320 H CB 1.165 30.917 29.762 -0.017 0.000 1.446 320 H HN 0.432 nan 8.280 nan 0.000 0.583 321 T N 0.107 114.726 114.554 0.109 0.000 2.918 321 T HA 0.099 4.449 4.350 -0.000 0.000 0.283 321 T C 0.462 175.176 174.700 0.023 0.000 1.001 321 T CA -1.098 61.027 62.100 0.041 0.000 1.041 321 T CB 0.638 69.516 68.868 0.016 0.000 1.028 321 T HN 0.599 nan 8.240 nan 0.000 0.511 322 N N 0.262 118.955 118.700 -0.012 0.000 2.696 322 N HA -0.135 4.605 4.740 -0.000 0.000 0.256 322 N C 0.916 176.409 175.510 -0.029 0.000 1.031 322 N CA 0.584 53.611 53.050 -0.038 0.000 0.730 322 N CB -1.777 36.678 38.487 -0.053 0.000 0.894 322 N HN 0.532 nan 8.380 nan 0.000 0.544 323 V N -0.006 119.904 119.914 -0.007 0.000 2.343 323 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 323 V C -0.405 175.683 176.094 -0.009 0.000 1.051 323 V CA 2.079 64.379 62.300 -0.001 0.000 1.036 323 V CB -0.833 31.009 31.823 0.032 0.000 0.654 323 V HN 0.328 nan 8.190 nan 0.000 0.451 324 P HA -0.129 nan 4.420 nan 0.000 0.219 324 P C 1.963 179.250 177.300 -0.022 0.000 1.146 324 P CA 1.629 64.730 63.100 0.002 0.000 0.808 324 P CB -0.077 31.628 31.700 0.008 0.000 0.779 325 S N -0.719 114.952 115.700 -0.048 0.000 2.447 325 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 325 S C 1.772 176.338 174.600 -0.058 0.000 1.006 325 S CA 0.823 58.987 58.200 -0.060 0.000 0.957 325 S CB -0.556 62.602 63.200 -0.071 0.000 0.773 325 S HN 0.078 nan 8.310 nan 0.000 0.507 326 R N 0.150 120.613 120.500 -0.063 0.000 2.237 326 R HA 0.032 4.372 4.340 -0.000 0.000 0.219 326 R C 0.618 176.896 176.300 -0.038 0.000 1.080 326 R CA 0.973 57.025 56.100 -0.079 0.000 0.995 326 R CB -0.036 30.191 30.300 -0.122 0.000 0.875 326 R HN 0.303 nan 8.270 nan 0.000 0.462 327 V N 0.109 120.019 119.914 -0.007 0.000 2.843 327 V HA 0.267 4.387 4.120 -0.000 0.000 0.366 327 V C 1.174 177.265 176.094 -0.006 0.000 1.283 327 V CA 0.011 62.319 62.300 0.014 0.000 1.303 327 V CB 0.459 32.315 31.823 0.054 0.000 1.418 327 V HN 0.184 nan 8.190 nan 0.000 0.598 328 A N 1.198 124.005 122.820 -0.022 0.000 1.978 328 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 328 A C 2.320 179.893 177.584 -0.019 0.000 1.170 328 A CA 2.167 54.186 52.037 -0.030 0.000 0.636 328 A CB -0.141 18.834 19.000 -0.041 0.000 0.810 328 A HN 0.776 nan 8.150 nan 0.000 0.448 329 A N -0.748 122.063 122.820 -0.014 0.000 1.970 329 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 329 A C 1.748 179.329 177.584 -0.005 0.000 1.170 329 A CA 1.651 53.683 52.037 -0.009 0.000 0.645 329 A CB -0.275 18.719 19.000 -0.010 0.000 0.816 329 A HN 0.414 nan 8.150 nan 0.000 0.447 330 D N -0.301 120.093 120.400 -0.010 0.000 2.216 330 D HA 0.139 4.779 4.640 -0.000 0.000 0.208 330 D C 2.252 178.556 176.300 0.006 0.000 0.960 330 D CA 1.207 55.200 54.000 -0.011 0.000 0.861 330 D CB -0.277 40.502 40.800 -0.036 0.000 0.985 330 D HN 0.335 nan 8.370 nan 0.000 0.493 331 A N 0.492 123.318 122.820 0.011 0.000 1.902 331 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 331 A C 2.382 180.005 177.584 0.064 0.000 1.181 331 A CA 1.847 53.905 52.037 0.035 0.000 0.623 331 A CB -0.558 18.452 19.000 0.017 0.000 0.818 331 A HN 0.149 nan 8.150 nan 0.000 0.443 332 S N 0.150 115.869 115.700 0.032 0.000 2.348 332 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 332 S C -0.230 174.428 174.600 0.097 0.000 1.033 332 S CA 1.592 59.819 58.200 0.044 0.000 1.010 332 S CB -1.104 62.100 63.200 0.008 0.000 0.891 332 S HN 0.596 nan 8.310 nan 0.000 0.442 333 P HA -0.030 nan 4.420 nan 0.000 0.220 333 P C 1.306 178.644 177.300 0.064 0.000 1.148 333 P CA 0.907 64.049 63.100 0.069 0.000 0.803 333 P CB -0.197 31.529 31.700 0.043 0.000 0.782 334 L N -2.102 119.158 121.223 0.061 0.000 2.056 334 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 334 L C 2.688 179.582 176.870 0.039 0.000 1.078 334 L CA 1.301 56.165 54.840 0.039 0.000 0.749 334 L CB -1.044 41.035 42.059 0.034 0.000 0.901 334 L HN -0.133 nan 8.230 nan 0.000 0.433 335 F N 0.711 120.628 119.950 -0.054 0.000 2.134 335 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 335 F C 2.478 178.191 175.800 -0.145 0.000 1.097 335 F CA 1.307 59.253 58.000 -0.089 0.000 1.264 335 F CB -0.208 38.748 39.000 -0.072 0.000 1.001 335 F HN 0.002 nan 8.300 nan 0.000 0.479 336 A N 0.020 122.926 122.820 0.143 0.000 1.902 336 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 336 A C 2.307 179.853 177.584 -0.062 0.000 1.181 336 A CA 1.532 53.601 52.037 0.053 0.000 0.623 336 A CB -0.627 18.479 19.000 0.176 0.000 0.818 336 A HN 0.230 nan 8.150 nan 0.000 0.443 337 K N 0.091 120.477 120.400 -0.023 0.000 2.063 337 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 337 K C 1.741 178.275 176.600 -0.111 0.000 1.048 337 K CA 1.822 58.090 56.287 -0.033 0.000 0.928 337 K CB -0.625 31.867 32.500 -0.013 0.000 0.713 337 K HN 0.693 nan 8.250 nan 0.000 0.442 338 N N 0.329 118.906 118.700 -0.205 0.000 2.069 338 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 338 N C 1.675 176.993 175.510 -0.321 0.000 1.031 338 N CA 0.885 53.773 53.050 -0.269 0.000 0.852 338 N CB -0.094 38.151 38.487 -0.404 0.000 1.018 338 N HN -0.052 nan 8.380 nan 0.000 0.423 339 L N 0.489 121.376 121.223 -0.561 0.000 2.141 339 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 339 L C 1.999 178.610 176.870 -0.432 0.000 1.094 339 L CA 1.019 55.386 54.840 -0.788 0.000 0.763 339 L CB -0.831 40.215 42.059 -1.689 0.000 0.908 339 L HN 0.259 nan 8.230 nan 0.000 0.437 340 L N -0.316 120.784 121.223 -0.204 0.000 1.994 340 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 340 L C 2.240 179.188 176.870 0.130 0.000 1.071 340 L CA 1.688 56.667 54.840 0.230 0.000 0.745 340 L CB -0.751 41.452 42.059 0.241 0.000 0.892 340 L HN 0.294 nan 8.230 nan 0.000 0.431 341 N N -0.802 117.922 118.700 0.040 0.000 2.223 341 N HA -0.231 4.509 4.740 -0.000 0.000 0.185 341 N C 1.800 177.328 175.510 0.031 0.000 1.016 341 N CA 1.559 54.621 53.050 0.020 0.000 0.863 341 N CB -0.550 37.934 38.487 -0.006 0.000 0.983 341 N HN 0.455 nan 8.380 nan 0.000 0.429 342 F N 1.194 121.092 119.950 -0.088 0.000 2.102 342 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 342 F C 2.044 177.860 175.800 0.027 0.000 1.105 342 F CA 0.893 58.856 58.000 -0.061 0.000 1.239 342 F CB -0.282 38.643 39.000 -0.125 0.000 0.991 342 F HN -0.043 nan 8.300 nan 0.000 0.474 343 L N -0.153 121.119 121.223 0.082 0.000 2.162 343 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 343 L C 2.286 179.172 176.870 0.027 0.000 1.086 343 L CA 1.973 56.882 54.840 0.114 0.000 0.778 343 L CB -1.134 41.162 42.059 0.395 0.000 0.928 343 L HN 0.139 nan 8.230 nan 0.000 0.446 344 T N 0.904 115.472 114.554 0.023 0.000 2.653 344 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 344 T C -0.589 174.046 174.700 -0.108 0.000 1.035 344 T CA 2.098 64.205 62.100 0.010 0.000 1.154 344 T CB -1.219 67.661 68.868 0.021 0.000 0.862 344 T HN 0.322 nan 8.240 nan 0.000 0.441 345 P HA -0.028 nan 4.420 nan 0.000 0.230 345 P C 0.809 177.871 177.300 -0.397 0.000 1.158 345 P CA 0.927 63.804 63.100 -0.371 0.000 0.769 345 P CB -0.069 31.334 31.700 -0.494 0.000 0.807 346 H N -2.051 116.967 119.070 -0.086 0.000 2.551 346 H HA 0.206 4.762 4.556 -0.000 0.000 0.271 346 H C 0.399 175.718 175.328 -0.014 0.000 0.984 346 H CA -0.056 55.950 56.048 -0.071 0.000 1.164 346 H CB 0.116 29.801 29.762 -0.128 0.000 1.437 346 H HN -0.007 nan 8.280 nan 0.000 0.550 347 V N 2.219 122.179 119.914 0.076 0.000 2.546 347 V HA 0.006 4.126 4.120 -0.000 0.000 0.284 347 V C 0.716 176.811 176.094 0.001 0.000 1.050 347 V CA -0.701 61.632 62.300 0.055 0.000 0.981 347 V CB 2.231 34.106 31.823 0.088 0.000 0.990 347 V HN 0.218 nan 8.190 nan 0.000 0.474 348 D N 3.867 124.251 120.400 -0.027 0.000 2.339 348 D HA 0.092 4.732 4.640 -0.000 0.000 0.241 348 D C 0.951 177.219 176.300 -0.054 0.000 1.183 348 D CA -0.219 53.760 54.000 -0.035 0.000 0.859 348 D CB 1.087 41.866 40.800 -0.034 0.000 1.067 348 D HN 0.659 nan 8.370 nan 0.000 0.484 349 K N 3.474 123.851 120.400 -0.038 0.000 2.097 349 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 349 K C 0.574 177.148 176.600 -0.043 0.000 1.049 349 K CA 1.505 57.769 56.287 -0.039 0.000 0.933 349 K CB 0.326 32.811 32.500 -0.024 0.000 0.717 349 K HN 0.299 nan 8.250 nan 0.000 0.442 350 D N -0.323 120.055 120.400 -0.037 0.000 2.107 350 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 350 D C 1.870 178.145 176.300 -0.042 0.000 0.978 350 D CA 2.130 56.109 54.000 -0.034 0.000 0.852 350 D CB -0.454 40.331 40.800 -0.025 0.000 1.008 350 D HN 0.412 nan 8.370 nan 0.000 0.458 351 T N -2.029 112.498 114.554 -0.045 0.000 3.088 351 T HA 0.059 4.409 4.350 -0.000 0.000 0.259 351 T C 0.446 175.101 174.700 -0.075 0.000 1.122 351 T CA 0.034 62.104 62.100 -0.050 0.000 1.095 351 T CB -0.089 68.755 68.868 -0.040 0.000 0.930 351 T HN -0.115 nan 8.240 nan 0.000 0.508 352 K N 1.963 122.302 120.400 -0.102 0.000 3.619 352 K HA -0.117 4.203 4.320 -0.000 0.000 0.275 352 K C -0.208 176.277 176.600 -0.191 0.000 0.993 352 K CA 1.054 57.239 56.287 -0.170 0.000 0.787 352 K CB -2.280 30.121 32.500 -0.166 0.000 1.431 352 K HN 0.878 nan 8.250 nan 0.000 0.451 353 T N -2.438 112.023 114.554 -0.156 0.000 2.900 353 T HA 0.628 4.978 4.350 -0.000 0.000 0.303 353 T C -0.990 173.668 174.700 -0.070 0.000 1.142 353 T CA -1.201 60.831 62.100 -0.112 0.000 1.007 353 T CB 1.836 70.671 68.868 -0.057 0.000 1.156 353 T HN 0.136 nan 8.240 nan 0.000 0.490 354 L N 2.427 123.642 121.223 -0.013 0.000 2.257 354 L HA 0.709 5.049 4.340 -0.000 0.000 0.290 354 L C -1.119 175.789 176.870 0.063 0.000 1.044 354 L CA -0.401 54.479 54.840 0.066 0.000 0.810 354 L CB 0.734 42.885 42.059 0.154 0.000 1.193 354 L HN 0.672 nan 8.230 nan 0.000 0.425 355 V N 6.436 126.388 119.914 0.063 0.000 2.357 355 V HA 0.380 4.500 4.120 -0.000 0.000 0.281 355 V C 0.064 176.188 176.094 0.049 0.000 1.015 355 V CA -0.711 61.617 62.300 0.048 0.000 0.827 355 V CB 1.303 33.147 31.823 0.034 0.000 1.018 355 V HN 0.677 nan 8.190 nan 0.000 0.432 356 M N 4.356 123.949 119.600 -0.012 0.000 2.217 356 M HA 0.355 4.835 4.480 -0.000 0.000 0.354 356 M C 0.214 176.462 176.300 -0.086 0.000 1.225 356 M CA -0.550 54.639 55.300 -0.185 0.000 1.137 356 M CB 0.757 33.231 32.600 -0.210 0.000 1.576 356 M HN 0.346 nan 8.290 nan 0.000 0.461 357 K N 4.909 125.279 120.400 -0.051 0.000 2.294 357 K HA 0.168 4.488 4.320 -0.000 0.000 0.288 357 K C 1.015 177.601 176.600 -0.024 0.000 1.072 357 K CA 0.076 56.382 56.287 0.032 0.000 0.960 357 K CB -0.286 32.294 32.500 0.134 0.000 1.043 357 K HN 0.675 nan 8.250 nan 0.000 0.455 358 L N 1.555 122.778 121.223 0.001 0.000 2.217 358 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 358 L C 2.178 179.067 176.870 0.032 0.000 1.107 358 L CA 0.931 55.783 54.840 0.021 0.000 0.783 358 L CB -0.167 41.909 42.059 0.028 0.000 0.919 358 L HN 0.575 nan 8.230 nan 0.000 0.442 359 E N 0.026 120.243 120.200 0.028 0.000 2.427 359 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 359 E C 0.392 177.014 176.600 0.037 0.000 1.028 359 E CA 0.267 56.684 56.400 0.029 0.000 0.864 359 E CB -0.431 29.283 29.700 0.022 0.000 0.813 359 E HN 0.275 nan 8.360 nan 0.000 0.514 360 D N 2.148 122.575 120.400 0.046 0.000 2.450 360 D HA -0.084 4.556 4.640 -0.000 0.000 0.247 360 D C 0.786 177.128 176.300 0.070 0.000 1.162 360 D CA 0.187 54.223 54.000 0.060 0.000 0.879 360 D CB 0.980 41.834 40.800 0.092 0.000 1.163 360 D HN 0.242 nan 8.370 nan 0.000 0.472 361 E N 2.102 122.341 120.200 0.064 0.000 2.118 361 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 361 E C 1.290 177.952 176.600 0.104 0.000 0.992 361 E CA 1.133 57.575 56.400 0.070 0.000 0.804 361 E CB 0.283 30.015 29.700 0.053 0.000 0.741 361 E HN 0.506 nan 8.360 nan 0.000 0.458 362 T N -0.036 114.590 114.554 0.119 0.000 2.699 362 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 362 T C 1.755 176.618 174.700 0.273 0.000 1.036 362 T CA 1.535 63.748 62.100 0.189 0.000 1.147 362 T CB -0.060 68.922 68.868 0.192 0.000 0.862 362 T HN 0.044 nan 8.240 nan 0.000 0.446 363 V N 1.424 121.459 119.914 0.202 0.000 2.379 363 V HA -0.084 4.036 4.120 -0.000 0.000 0.243 363 V C 2.728 178.975 176.094 0.255 0.000 1.035 363 V CA 1.704 64.129 62.300 0.209 0.000 1.035 363 V CB -0.646 31.175 31.823 -0.003 0.000 0.673 363 V HN 0.612 nan 8.190 nan 0.000 0.457 364 S N 1.352 117.150 115.700 0.163 0.000 2.368 364 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 364 S C 2.105 176.789 174.600 0.139 0.000 1.029 364 S CA 1.430 59.707 58.200 0.128 0.000 0.988 364 S CB -1.014 62.224 63.200 0.064 0.000 0.838 364 S HN 0.520 nan 8.310 nan 0.000 0.462 365 G N 0.174 109.061 108.800 0.145 0.000 2.443 365 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.219 365 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.219 365 G C 1.446 176.509 174.900 0.272 0.000 1.131 365 G CA 1.262 46.468 45.100 0.177 0.000 0.775 365 G HN 0.563 nan 8.290 nan 0.000 0.547 366 T N -1.123 113.576 114.554 0.243 0.000 3.015 366 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 366 T C 1.111 175.960 174.700 0.248 0.000 1.057 366 T CA -0.149 62.062 62.100 0.186 0.000 1.066 366 T CB -0.368 68.557 68.868 0.094 0.000 0.959 366 T HN 0.192 nan 8.240 nan 0.000 0.488 367 C N 2.179 121.689 119.300 0.351 0.000 2.629 367 C HA 0.444 4.904 4.460 -0.000 0.000 0.410 367 C C 1.885 176.938 174.990 0.105 0.000 1.339 367 C CA -0.452 58.677 59.018 0.185 0.000 1.810 367 C CB -0.474 27.362 27.740 0.161 0.000 2.549 367 C HN 0.357 nan 8.230 nan 0.000 0.589 368 V N 4.382 124.270 119.914 -0.044 0.000 2.788 368 V HA 0.233 4.353 4.120 -0.000 0.000 0.241 368 V C 1.111 177.183 176.094 -0.037 0.000 1.083 368 V CA 1.327 63.608 62.300 -0.031 0.000 1.103 368 V CB 0.194 31.959 31.823 -0.097 0.000 0.800 368 V HN 0.925 nan 8.190 nan 0.000 0.476 369 T N -0.021 114.471 114.554 -0.103 0.000 2.894 369 T HA 0.648 4.998 4.350 -0.000 0.000 0.309 369 T C -1.429 173.193 174.700 -0.130 0.000 1.208 369 T CA -0.649 61.400 62.100 -0.085 0.000 1.016 369 T CB 2.079 70.910 68.868 -0.061 0.000 1.192 369 T HN 0.307 nan 8.240 nan 0.000 0.491 370 R N 2.451 122.902 120.500 -0.082 0.000 2.522 370 R HA 0.387 4.727 4.340 -0.000 0.000 0.273 370 R C -1.077 175.202 176.300 -0.034 0.000 1.133 370 R CA -0.274 55.781 56.100 -0.075 0.000 0.969 370 R CB 0.786 31.043 30.300 -0.071 0.000 1.235 370 R HN 0.816 nan 8.270 nan 0.000 0.433 371 D N 3.263 123.649 120.400 -0.023 0.000 2.837 371 D HA -0.184 4.456 4.640 -0.000 0.000 0.230 371 D C 0.446 176.741 176.300 -0.008 0.000 1.152 371 D CA 2.061 56.056 54.000 -0.009 0.000 0.736 371 D CB -0.926 39.873 40.800 -0.002 0.000 1.084 371 D HN 1.118 nan 8.370 nan 0.000 0.429 372 G N -1.286 107.507 108.800 -0.013 0.000 2.149 372 G HA2 0.081 4.041 3.960 -0.000 0.000 0.235 372 G HA3 0.081 4.041 3.960 -0.000 0.000 0.235 372 G C 0.148 175.042 174.900 -0.010 0.000 1.018 372 G CA 0.416 45.510 45.100 -0.010 0.000 0.728 372 G HN 1.309 nan 8.290 nan 0.000 0.508 373 A N -0.541 122.271 122.820 -0.014 0.000 2.427 373 A HA 0.778 5.098 4.320 -0.000 0.000 0.298 373 A C -0.307 177.269 177.584 -0.013 0.000 1.036 373 A CA -0.719 51.312 52.037 -0.010 0.000 0.701 373 A CB 1.085 20.081 19.000 -0.007 0.000 1.250 373 A HN 0.773 nan 8.150 nan 0.000 0.412 374 I N 3.080 123.646 120.570 -0.006 0.000 2.421 374 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 374 I C 1.161 177.285 176.117 0.012 0.000 1.089 374 I CA 0.464 61.764 61.300 0.000 0.000 1.354 374 I CB 1.035 39.038 38.000 0.005 0.000 1.413 374 I HN 0.463 nan 8.210 nan 0.000 0.513 375 V N 4.878 124.804 119.914 0.019 0.000 2.685 375 V HA -0.060 4.060 4.120 -0.000 0.000 0.244 375 V C 1.257 177.375 176.094 0.039 0.000 1.054 375 V CA 0.536 62.849 62.300 0.020 0.000 1.076 375 V CB -0.669 31.161 31.823 0.011 0.000 0.725 375 V HN 0.670 nan 8.190 nan 0.000 0.467 376 H N 3.099 122.158 119.070 -0.018 0.000 2.964 376 H HA 0.047 4.603 4.556 -0.000 0.000 0.328 376 H C -1.431 173.891 175.328 -0.010 0.000 1.030 376 H CA -1.171 54.871 56.048 -0.010 0.000 1.445 376 H CB 1.885 31.637 29.762 -0.016 0.000 1.449 376 H HN 0.101 nan 8.280 nan 0.000 0.581 377 P HA -0.099 nan 4.420 nan 0.000 0.221 377 P C 1.124 178.456 177.300 0.053 0.000 1.150 377 P CA 1.220 64.288 63.100 -0.053 0.000 0.800 377 P CB 0.090 31.719 31.700 -0.119 0.000 0.787 378 A N 0.440 123.382 122.820 0.204 0.000 1.978 378 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 378 A C 1.937 179.581 177.584 0.100 0.000 1.170 378 A CA 1.143 53.288 52.037 0.181 0.000 0.636 378 A CB -1.313 17.835 19.000 0.247 0.000 0.810 378 A HN 0.213 nan 8.150 nan 0.000 0.448 379 L N 1.027 122.316 121.223 0.110 0.000 3.036 379 L HA 0.224 4.564 4.340 -0.000 0.000 0.237 379 L C 0.302 177.193 176.870 0.036 0.000 1.319 379 L CA -0.038 54.830 54.840 0.046 0.000 1.112 379 L CB -0.553 41.520 42.059 0.024 0.000 1.480 379 L HN 0.474 nan 8.230 nan 0.000 0.506 380 T N 0.000 114.573 114.554 0.032 0.000 3.816 380 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 380 T CA 0.000 62.110 62.100 0.017 0.000 1.349 380 T CB 0.000 68.876 68.868 0.013 0.000 0.612 380 T HN 0.000 nan 8.240 nan 0.000 0.658