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 1xlt_1_E 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 VXXXXXXXXX XXXXXXXXXX EEFRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPA 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 0.000 176.250 176.300 -0.083 0.000 1.140 1 M CA 0.000 55.173 55.300 -0.212 0.000 0.988 1 M CB 0.000 32.402 32.600 -0.330 0.000 1.302 2 K N 1.681 122.088 120.400 0.012 0.000 2.265 2 K HA 0.627 4.947 4.320 0.000 0.000 0.267 2 K C -0.809 175.866 176.600 0.126 0.000 0.994 2 K CA -0.335 55.992 56.287 0.066 0.000 0.860 2 K CB 2.545 35.068 32.500 0.038 0.000 1.099 2 K HN 0.537 nan 8.250 nan 0.000 0.448 3 I N 1.630 122.288 120.570 0.146 0.000 2.406 3 I HA 0.480 4.650 4.170 0.000 0.000 0.290 3 I C -1.163 174.935 176.117 -0.031 0.000 0.999 3 I CA -0.540 60.797 61.300 0.061 0.000 1.124 3 I CB 1.451 39.416 38.000 -0.058 0.000 1.289 3 I HN 0.635 nan 8.210 nan 0.000 0.441 4 A N 7.556 130.365 122.820 -0.018 0.000 2.386 4 A HA 0.827 5.147 4.320 0.000 0.000 0.311 4 A C -1.363 176.226 177.584 0.008 0.000 1.068 4 A CA -0.484 51.547 52.037 -0.011 0.000 0.743 4 A CB 1.294 20.308 19.000 0.023 0.000 1.258 4 A HN 0.569 nan 8.150 nan 0.000 0.429 5 I N 3.449 124.019 120.570 0.001 0.000 2.410 5 I HA 0.468 4.638 4.170 0.000 0.000 0.286 5 I C -2.320 173.817 176.117 0.033 0.000 1.009 5 I CA -1.692 59.635 61.300 0.044 0.000 1.111 5 I CB 2.089 40.108 38.000 0.031 0.000 1.262 5 I HN 0.436 nan 8.210 nan 0.000 0.443 6 P HA 0.349 nan 4.420 nan 0.000 0.285 6 P C -1.132 176.175 177.300 0.012 0.000 1.285 6 P CA -0.892 62.222 63.100 0.024 0.000 0.854 6 P CB 1.567 33.284 31.700 0.028 0.000 1.180 7 K N 1.433 121.833 120.400 0.001 0.000 2.276 7 K HA 0.153 4.473 4.320 0.000 0.000 0.283 7 K C 0.195 176.784 176.600 -0.017 0.000 1.044 7 K CA 0.015 56.295 56.287 -0.012 0.000 0.944 7 K CB -0.065 32.427 32.500 -0.012 0.000 1.012 7 K HN 0.243 nan 8.250 nan 0.000 0.472 8 E N 3.405 123.585 120.200 -0.033 0.000 2.436 8 E HA -0.012 4.338 4.350 0.000 0.000 0.262 8 E C 0.426 177.008 176.600 -0.030 0.000 1.063 8 E CA 0.216 56.592 56.400 -0.040 0.000 0.944 8 E CB 0.450 30.110 29.700 -0.067 0.000 0.950 8 E HN 0.554 nan 8.360 nan 0.000 0.444 9 R N 1.125 121.610 120.500 -0.026 0.000 2.350 9 R HA 0.131 4.471 4.340 0.000 0.000 0.199 9 R C 0.378 176.664 176.300 -0.023 0.000 0.876 9 R CA -0.230 55.858 56.100 -0.021 0.000 1.062 9 R CB 0.079 30.371 30.300 -0.013 0.000 1.263 9 R HN 0.326 nan 8.270 nan 0.000 0.641 10 R N 2.506 122.991 120.500 -0.026 0.000 2.547 10 R HA -0.047 4.293 4.340 0.000 0.000 0.269 10 R C -2.219 174.063 176.300 -0.029 0.000 0.968 10 R CA -0.432 55.652 56.100 -0.027 0.000 1.101 10 R CB -0.838 29.442 30.300 -0.034 0.000 0.898 10 R HN -0.018 nan 8.270 nan 0.000 0.416 11 P HA 0.057 nan 4.420 nan 0.000 0.271 11 P C 0.632 177.913 177.300 -0.032 0.000 1.233 11 P CA 0.866 63.951 63.100 -0.026 0.000 0.764 11 P CB 0.656 32.343 31.700 -0.022 0.000 0.825 12 G N 2.317 111.096 108.800 -0.035 0.000 2.213 12 G HA2 -0.225 3.735 3.960 0.000 0.000 0.236 12 G HA3 -0.225 3.735 3.960 0.000 0.000 0.236 12 G C 0.232 175.106 174.900 -0.043 0.000 0.991 12 G CA -0.319 44.758 45.100 -0.039 0.000 0.629 12 G HN 0.562 nan 8.290 nan 0.000 0.517 13 E N 1.484 121.655 120.200 -0.048 0.000 2.180 13 E HA 0.499 4.849 4.350 0.000 0.000 0.283 13 E C 0.554 177.118 176.600 -0.060 0.000 1.061 13 E CA -0.191 56.172 56.400 -0.062 0.000 0.861 13 E CB 0.452 30.108 29.700 -0.074 0.000 1.056 13 E HN 0.245 nan 8.360 nan 0.000 0.407 14 D N 3.938 124.301 120.400 -0.061 0.000 2.433 14 D HA 0.072 4.712 4.640 0.000 0.000 0.211 14 D C 0.141 176.401 176.300 -0.067 0.000 1.114 14 D CA -0.041 53.926 54.000 -0.054 0.000 0.837 14 D CB 0.473 41.249 40.800 -0.040 0.000 0.984 14 D HN 0.318 nan 8.370 nan 0.000 0.505 15 R N 0.480 120.920 120.500 -0.099 0.000 2.822 15 R HA 0.389 4.729 4.340 0.000 0.000 0.277 15 R C -0.205 176.011 176.300 -0.140 0.000 1.102 15 R CA -0.106 55.913 56.100 -0.136 0.000 1.207 15 R CB 1.245 31.409 30.300 -0.226 0.000 1.139 15 R HN -0.163 nan 8.270 nan 0.000 0.557 16 V N 0.346 120.170 119.914 -0.149 0.000 2.671 16 V HA 0.305 4.425 4.120 0.000 0.000 0.292 16 V C -0.874 175.181 176.094 -0.065 0.000 1.115 16 V CA -0.487 61.755 62.300 -0.097 0.000 0.918 16 V CB 1.611 33.410 31.823 -0.040 0.000 1.036 16 V HN 0.901 nan 8.190 nan 0.000 0.445 17 A N 6.868 129.658 122.820 -0.050 0.000 3.125 17 A HA 0.555 4.875 4.320 0.000 0.000 0.272 17 A C -0.171 177.586 177.584 0.288 0.000 1.976 17 A CA 0.775 52.895 52.037 0.138 0.000 1.502 17 A CB -1.104 18.033 19.000 0.229 0.000 0.959 17 A HN 1.424 nan 8.150 nan 0.000 0.608 18 I N -0.398 120.288 120.570 0.193 0.000 2.614 18 I HA 0.374 4.544 4.170 0.000 0.000 0.300 18 I C -0.802 175.368 176.117 0.088 0.000 1.825 18 I CA 0.544 61.935 61.300 0.151 0.000 0.951 18 I CB 1.809 39.847 38.000 0.064 0.000 1.487 18 I HN 0.450 nan 8.210 nan 0.000 0.581 19 S N 5.013 120.752 115.700 0.065 0.000 2.536 19 S HA 0.684 5.154 4.470 0.000 0.000 0.271 19 S C -2.717 171.891 174.600 0.013 0.000 1.134 19 S CA -1.133 57.090 58.200 0.040 0.000 0.897 19 S CB 2.333 65.567 63.200 0.056 0.000 1.094 19 S HN 0.402 nan 8.310 nan 0.000 0.473 20 P HA -0.109 nan 4.420 nan 0.000 0.220 20 P C 1.152 178.448 177.300 -0.008 0.000 1.144 20 P CA 0.967 64.063 63.100 -0.007 0.000 0.800 20 P CB 0.190 31.888 31.700 -0.004 0.000 0.772 21 E N -0.477 119.724 120.200 0.002 0.000 2.216 21 E HA -0.061 4.289 4.350 0.000 0.000 0.192 21 E C 1.585 178.186 176.600 0.001 0.000 0.988 21 E CA 0.809 57.212 56.400 0.004 0.000 0.834 21 E CB 0.013 29.721 29.700 0.012 0.000 0.772 21 E HN 0.068 nan 8.360 nan 0.000 0.479 22 V N 0.390 120.308 119.914 0.006 0.000 3.052 22 V HA -0.119 4.001 4.120 0.000 0.000 0.254 22 V C 2.289 178.336 176.094 -0.078 0.000 1.100 22 V CA 0.497 62.794 62.300 -0.004 0.000 1.112 22 V CB 0.401 32.260 31.823 0.061 0.000 0.738 22 V HN 0.075 nan 8.190 nan 0.000 0.469 23 V N 1.769 121.640 119.914 -0.073 0.000 2.216 23 V HA -0.300 3.820 4.120 0.000 0.000 0.243 23 V C 2.548 178.591 176.094 -0.084 0.000 1.044 23 V CA 2.621 64.860 62.300 -0.102 0.000 0.995 23 V CB -0.928 30.855 31.823 -0.067 0.000 0.633 23 V HN 0.734 nan 8.190 nan 0.000 0.446 24 K N 0.849 121.221 120.400 -0.046 0.000 2.152 24 K HA -0.275 4.045 4.320 0.000 0.000 0.206 24 K C 2.038 178.622 176.600 -0.027 0.000 1.048 24 K CA 1.970 58.240 56.287 -0.028 0.000 0.933 24 K CB -0.319 32.173 32.500 -0.015 0.000 0.721 24 K HN 0.273 nan 8.250 nan 0.000 0.447 25 K N 1.670 122.048 120.400 -0.037 0.000 2.147 25 K HA -0.016 4.304 4.320 0.000 0.000 0.205 25 K C 1.877 178.447 176.600 -0.050 0.000 1.049 25 K CA 1.179 57.448 56.287 -0.030 0.000 0.936 25 K CB -0.250 32.236 32.500 -0.024 0.000 0.722 25 K HN 0.299 nan 8.250 nan 0.000 0.446 26 L N -0.575 120.572 121.223 -0.127 0.000 2.072 26 L HA -0.105 4.235 4.340 0.000 0.000 0.205 26 L C 2.188 179.066 176.870 0.015 0.000 1.079 26 L CA 0.616 55.317 54.840 -0.232 0.000 0.752 26 L CB -0.364 41.393 42.059 -0.504 0.000 0.906 26 L HN -0.062 nan 8.230 nan 0.000 0.436 27 V N 0.310 120.235 119.914 0.018 0.000 2.453 27 V HA -0.255 3.865 4.120 0.000 0.000 0.252 27 V C 2.332 178.480 176.094 0.089 0.000 1.068 27 V CA 1.985 64.331 62.300 0.076 0.000 1.070 27 V CB -0.970 30.870 31.823 0.028 0.000 0.664 27 V HN 0.604 nan 8.190 nan 0.000 0.461 28 G N -1.212 107.626 108.800 0.063 0.000 2.776 28 G HA2 -0.014 3.946 3.960 0.000 0.000 0.209 28 G HA3 -0.014 3.946 3.960 0.000 0.000 0.209 28 G C 0.914 175.871 174.900 0.094 0.000 1.145 28 G CA 0.142 45.277 45.100 0.059 0.000 0.791 28 G HN 0.488 nan 8.290 nan 0.000 0.530 29 L N -0.123 121.208 121.223 0.180 0.000 2.959 29 L HA 0.415 4.755 4.340 0.000 0.000 0.259 29 L C 1.466 178.474 176.870 0.229 0.000 1.185 29 L CA 0.232 55.227 54.840 0.259 0.000 0.998 29 L CB 0.385 42.700 42.059 0.426 0.000 1.337 29 L HN 0.180 nan 8.230 nan 0.000 0.555 30 G N -0.358 108.541 108.800 0.164 0.000 2.326 30 G HA2 -0.293 3.667 3.960 0.000 0.000 0.286 30 G HA3 -0.293 3.667 3.960 0.000 0.000 0.286 30 G C -0.153 174.713 174.900 -0.056 0.000 1.096 30 G CA -0.163 44.953 45.100 0.027 0.000 1.003 30 G HN 0.098 nan 8.290 nan 0.000 0.503 31 F N -0.370 119.561 119.950 -0.032 0.000 2.541 31 F HA 0.611 5.138 4.527 -0.000 0.000 0.331 31 F C 0.772 176.544 175.800 -0.046 0.000 1.057 31 F CA -1.031 56.943 58.000 -0.044 0.000 0.975 31 F CB 1.432 40.386 39.000 -0.077 0.000 1.246 31 F HN 0.066 nan 8.300 nan 0.000 0.484 32 E N 1.575 121.875 120.200 0.166 0.000 2.101 32 E HA 0.362 4.712 4.350 0.000 0.000 0.260 32 E C -1.386 175.258 176.600 0.074 0.000 0.897 32 E CA -0.430 56.016 56.400 0.077 0.000 0.744 32 E CB 1.833 31.555 29.700 0.037 0.000 1.140 32 E HN 0.213 nan 8.360 nan 0.000 0.419 33 V N 5.227 125.158 119.914 0.028 0.000 2.318 33 V HA 0.250 4.370 4.120 0.000 0.000 0.271 33 V C 0.043 176.117 176.094 -0.034 0.000 1.030 33 V CA -0.566 61.711 62.300 -0.038 0.000 0.844 33 V CB 0.419 32.179 31.823 -0.104 0.000 1.015 33 V HN 0.537 nan 8.190 nan 0.000 0.460 34 I N 5.756 126.309 120.570 -0.028 0.000 2.377 34 I HA 0.560 4.730 4.170 0.000 0.000 0.293 34 I C -0.085 176.017 176.117 -0.024 0.000 0.987 34 I CA -0.562 60.727 61.300 -0.018 0.000 1.185 34 I CB 1.751 39.749 38.000 -0.003 0.000 1.341 34 I HN 0.255 nan 8.210 nan 0.000 0.455 35 V N 4.811 124.713 119.914 -0.020 0.000 2.735 35 V HA 0.311 4.431 4.120 0.000 0.000 0.310 35 V C 0.233 176.323 176.094 -0.007 0.000 1.061 35 V CA -1.028 61.263 62.300 -0.016 0.000 0.913 35 V CB 2.199 34.010 31.823 -0.021 0.000 1.005 35 V HN 0.724 nan 8.190 nan 0.000 0.428 36 E N 2.697 122.896 120.200 -0.001 0.000 2.417 36 E HA 0.097 4.447 4.350 0.000 0.000 0.261 36 E C -0.003 176.595 176.600 -0.004 0.000 1.000 36 E CA -0.334 56.066 56.400 -0.001 0.000 0.919 36 E CB 0.630 30.331 29.700 0.002 0.000 0.955 36 E HN 0.742 nan 8.360 nan 0.000 0.455 37 Q N 3.281 123.078 119.800 -0.004 0.000 2.274 37 Q HA 0.235 4.575 4.340 0.000 0.000 0.280 37 Q C 0.733 176.729 176.000 -0.006 0.000 1.047 37 Q CA 0.468 56.268 55.803 -0.005 0.000 0.907 37 Q CB 0.945 29.680 28.738 -0.004 0.000 1.171 37 Q HN 0.705 nan 8.270 nan 0.000 0.381 38 G N 1.630 110.426 108.800 -0.007 0.000 2.157 38 G HA2 -0.259 3.701 3.960 0.000 0.000 0.239 38 G HA3 -0.259 3.701 3.960 0.000 0.000 0.239 38 G C 0.641 175.535 174.900 -0.010 0.000 0.982 38 G CA 0.095 45.191 45.100 -0.008 0.000 0.650 38 G HN 1.247 nan 8.290 nan 0.000 0.527 39 A N -0.072 122.742 122.820 -0.010 0.000 2.169 39 A HA 0.562 4.882 4.320 0.000 0.000 0.212 39 A C 2.295 179.870 177.584 -0.015 0.000 1.153 39 A CA 1.943 53.973 52.037 -0.012 0.000 0.756 39 A CB -0.152 18.843 19.000 -0.008 0.000 0.813 39 A HN 1.492 nan 8.150 nan 0.000 0.471 40 G N -1.483 107.310 108.800 -0.012 0.000 3.159 40 G HA2 0.205 4.165 3.960 0.000 0.000 0.232 40 G HA3 0.205 4.165 3.960 0.000 0.000 0.232 40 G C 1.180 176.072 174.900 -0.013 0.000 1.116 40 G CA 0.744 45.836 45.100 -0.013 0.000 0.767 40 G HN 0.264 nan 8.290 nan 0.000 0.547 41 V N 1.488 121.394 119.914 -0.013 0.000 2.469 41 V HA -0.052 4.068 4.120 0.000 0.000 0.251 41 V C 2.670 178.755 176.094 -0.015 0.000 1.064 41 V CA 2.602 64.894 62.300 -0.013 0.000 1.066 41 V CB -0.373 31.443 31.823 -0.012 0.000 0.667 41 V HN 0.316 nan 8.190 nan 0.000 0.461 42 G N -0.952 107.836 108.800 -0.020 0.000 2.443 42 G HA2 0.007 3.967 3.960 0.000 0.000 0.219 42 G HA3 0.007 3.967 3.960 0.000 0.000 0.219 42 G C 1.136 176.022 174.900 -0.022 0.000 1.131 42 G CA 0.683 45.769 45.100 -0.023 0.000 0.775 42 G HN 0.821 nan 8.290 nan 0.000 0.547 43 A N -0.363 122.444 122.820 -0.021 0.000 2.637 43 A HA 0.579 4.899 4.320 0.000 0.000 0.293 43 A C 1.262 178.840 177.584 -0.010 0.000 1.216 43 A CA 0.753 52.780 52.037 -0.017 0.000 0.956 43 A CB -0.046 18.942 19.000 -0.021 0.000 1.174 43 A HN 0.566 nan 8.150 nan 0.000 0.525 44 S N -0.256 115.438 115.700 -0.010 0.000 3.473 44 S HA -0.143 4.327 4.470 0.000 0.000 0.339 44 S C 0.138 174.735 174.600 -0.005 0.000 1.148 44 S CA 1.038 59.234 58.200 -0.007 0.000 0.969 44 S CB -1.551 61.645 63.200 -0.005 0.000 0.936 44 S HN 0.578 nan 8.310 nan 0.000 0.530 45 I N 3.026 123.592 120.570 -0.006 0.000 2.310 45 I HA 0.209 4.379 4.170 0.000 0.000 0.287 45 I C 1.386 177.499 176.117 -0.006 0.000 1.073 45 I CA -0.203 61.095 61.300 -0.004 0.000 1.216 45 I CB -0.307 37.692 38.000 -0.002 0.000 1.415 45 I HN 0.365 nan 8.210 nan 0.000 0.480 46 T N 1.026 115.577 114.554 -0.005 0.000 2.734 46 T HA 0.090 4.440 4.350 0.000 0.000 0.314 46 T C 0.958 175.654 174.700 -0.007 0.000 1.057 46 T CA -0.200 61.897 62.100 -0.006 0.000 1.047 46 T CB 1.490 70.355 68.868 -0.005 0.000 0.991 46 T HN 0.499 nan 8.240 nan 0.000 0.540 47 D N 0.981 121.377 120.400 -0.007 0.000 2.120 47 D HA -0.065 4.575 4.640 0.000 0.000 0.202 47 D C 1.575 177.871 176.300 -0.007 0.000 0.972 47 D CA 1.503 55.498 54.000 -0.007 0.000 0.837 47 D CB -0.114 40.683 40.800 -0.006 0.000 0.989 47 D HN 0.682 nan 8.370 nan 0.000 0.469 48 D N 1.730 122.126 120.400 -0.006 0.000 2.088 48 D HA -0.156 4.484 4.640 0.000 0.000 0.191 48 D C 2.103 178.399 176.300 -0.006 0.000 0.992 48 D CA 1.623 55.620 54.000 -0.005 0.000 0.831 48 D CB -0.398 40.400 40.800 -0.004 0.000 0.973 48 D HN 0.102 nan 8.370 nan 0.000 0.447 49 A N 0.165 122.982 122.820 -0.005 0.000 1.958 49 A HA -0.205 4.115 4.320 0.000 0.000 0.221 49 A C 2.029 179.609 177.584 -0.007 0.000 1.178 49 A CA 1.283 53.317 52.037 -0.005 0.000 0.642 49 A CB -0.777 18.220 19.000 -0.004 0.000 0.816 49 A HN 0.206 nan 8.150 nan 0.000 0.453 50 L N 0.183 121.401 121.223 -0.009 0.000 1.973 50 L HA -0.091 4.249 4.340 0.000 0.000 0.208 50 L C 2.832 179.693 176.870 -0.014 0.000 1.073 50 L CA 2.888 57.721 54.840 -0.012 0.000 0.746 50 L CB -1.250 40.802 42.059 -0.013 0.000 0.891 50 L HN 0.577 nan 8.230 nan 0.000 0.433 51 T N -2.975 111.572 114.554 -0.012 0.000 3.139 51 T HA -0.019 4.331 4.350 0.000 0.000 0.267 51 T C 1.583 176.278 174.700 -0.009 0.000 1.164 51 T CA 0.761 62.854 62.100 -0.011 0.000 1.075 51 T CB -0.552 68.311 68.868 -0.008 0.000 0.904 51 T HN 0.329 nan 8.240 nan 0.000 0.540 52 A N 0.944 123.759 122.820 -0.008 0.000 2.072 52 A HA 0.695 5.015 4.320 0.000 0.000 0.216 52 A C 2.171 179.751 177.584 -0.007 0.000 1.156 52 A CA 0.539 52.572 52.037 -0.007 0.000 0.701 52 A CB -0.439 18.558 19.000 -0.005 0.000 0.816 52 A HN 0.717 nan 8.150 nan 0.000 0.458 53 A N -1.077 121.737 122.820 -0.010 0.000 2.833 53 A HA 0.485 4.805 4.320 0.000 0.000 0.293 53 A C 1.376 178.951 177.584 -0.014 0.000 1.338 53 A CA 0.644 52.674 52.037 -0.012 0.000 0.959 53 A CB -1.250 17.741 19.000 -0.014 0.000 1.094 53 A HN 1.708 nan 8.150 nan 0.000 0.569 54 G N -1.614 107.180 108.800 -0.011 0.000 2.176 54 G HA2 0.068 4.028 3.960 0.000 0.000 0.253 54 G HA3 0.068 4.028 3.960 0.000 0.000 0.253 54 G C 0.497 175.390 174.900 -0.013 0.000 0.979 54 G CA 0.243 45.338 45.100 -0.009 0.000 0.641 54 G HN 1.710 nan 8.290 nan 0.000 0.530 55 A N -0.430 122.379 122.820 -0.019 0.000 2.279 55 A HA 0.861 5.181 4.320 0.000 0.000 0.303 55 A C 0.413 177.988 177.584 -0.015 0.000 1.108 55 A CA 0.727 52.750 52.037 -0.024 0.000 0.830 55 A CB 0.977 19.956 19.000 -0.035 0.000 1.106 55 A HN 0.696 nan 8.150 nan 0.000 0.493 56 T N 1.324 115.869 114.554 -0.014 0.000 2.888 56 T HA 0.576 4.926 4.350 0.000 0.000 0.284 56 T C 0.061 174.755 174.700 -0.010 0.000 1.017 56 T CA -0.118 61.977 62.100 -0.009 0.000 1.022 56 T CB 0.904 69.770 68.868 -0.004 0.000 1.013 56 T HN 0.578 nan 8.240 nan 0.000 0.465 57 I N -0.013 120.553 120.570 -0.007 0.000 2.577 57 I HA 0.881 5.051 4.170 0.000 0.000 0.305 57 I C -0.182 175.933 176.117 -0.004 0.000 0.986 57 I CA -1.327 59.969 61.300 -0.006 0.000 1.189 57 I CB 1.363 39.359 38.000 -0.006 0.000 1.355 57 I HN 0.624 nan 8.210 nan 0.000 0.476 58 A N 3.107 125.925 122.820 -0.003 0.000 2.357 58 A HA 0.488 4.808 4.320 0.000 0.000 0.295 58 A C 0.827 178.411 177.584 0.000 0.000 1.121 58 A CA -0.100 51.937 52.037 -0.000 0.000 0.742 58 A CB 1.234 20.235 19.000 0.002 0.000 1.181 58 A HN 0.963 nan 8.150 nan 0.000 0.454 59 S N 2.060 117.760 115.700 0.000 0.000 2.378 59 S HA -0.153 4.317 4.470 0.000 0.000 0.229 59 S C 1.128 175.728 174.600 0.000 0.000 1.052 59 S CA 2.341 60.541 58.200 -0.000 0.000 1.084 59 S CB -0.556 62.644 63.200 0.000 0.000 0.950 59 S HN 1.192 nan 8.310 nan 0.000 0.440 60 T N -1.333 113.222 114.554 0.002 0.000 2.927 60 T HA 0.723 5.073 4.350 0.000 0.000 0.286 60 T C 1.219 175.922 174.700 0.004 0.000 1.040 60 T CA -0.164 61.937 62.100 0.002 0.000 1.010 60 T CB 1.307 70.177 68.868 0.003 0.000 1.177 60 T HN 0.369 nan 8.240 nan 0.000 0.546 61 A N 1.247 124.070 122.820 0.005 0.000 1.865 61 A HA 0.140 4.460 4.320 0.000 0.000 0.217 61 A C 2.559 180.150 177.584 0.012 0.000 1.191 61 A CA 2.387 54.429 52.037 0.008 0.000 0.623 61 A CB -1.512 17.492 19.000 0.008 0.000 0.826 61 A HN 1.066 nan 8.150 nan 0.000 0.444 62 A N -0.907 121.919 122.820 0.010 0.000 1.858 62 A HA -0.223 4.097 4.320 0.000 0.000 0.216 62 A C 2.112 179.703 177.584 0.012 0.000 1.190 62 A CA 1.670 53.715 52.037 0.012 0.000 0.617 62 A CB -0.710 18.296 19.000 0.010 0.000 0.827 62 A HN 0.644 nan 8.150 nan 0.000 0.443 63 Q N -0.745 119.061 119.800 0.009 0.000 2.291 63 Q HA -0.097 4.243 4.340 0.000 0.000 0.206 63 Q C 2.297 178.302 176.000 0.008 0.000 0.976 63 Q CA 0.991 56.799 55.803 0.008 0.000 0.875 63 Q CB -0.346 28.395 28.738 0.005 0.000 0.927 63 Q HN 0.714 nan 8.270 nan 0.000 0.450 64 A N 0.790 123.616 122.820 0.009 0.000 1.898 64 A HA -0.115 4.205 4.320 0.000 0.000 0.216 64 A C 1.903 179.496 177.584 0.016 0.000 1.181 64 A CA 0.929 52.972 52.037 0.010 0.000 0.620 64 A CB -0.393 18.613 19.000 0.010 0.000 0.819 64 A HN 0.221 nan 8.150 nan 0.000 0.442 65 L N -0.609 120.626 121.223 0.020 0.000 1.958 65 L HA -0.059 4.281 4.340 0.000 0.000 0.211 65 L C 2.621 179.506 176.870 0.025 0.000 1.139 65 L CA 1.076 55.932 54.840 0.027 0.000 0.815 65 L CB -1.317 40.761 42.059 0.032 0.000 0.910 65 L HN 0.561 nan 8.230 nan 0.000 0.456 66 S N -0.438 115.275 115.700 0.022 0.000 2.930 66 S HA -0.424 4.046 4.470 0.000 0.000 0.391 66 S C 1.551 176.163 174.600 0.021 0.000 1.497 66 S CA 2.314 60.526 58.200 0.019 0.000 1.219 66 S CB -1.160 62.049 63.200 0.014 0.000 1.284 66 S HN 0.592 nan 8.310 nan 0.000 0.464 67 Q N 2.239 122.051 119.800 0.021 0.000 2.212 67 Q HA 0.649 4.989 4.340 0.000 0.000 0.213 67 Q C 0.358 176.375 176.000 0.028 0.000 0.874 67 Q CA 0.629 56.444 55.803 0.021 0.000 0.965 67 Q CB 0.430 29.177 28.738 0.015 0.000 1.074 67 Q HN 0.845 nan 8.270 nan 0.000 0.473 68 A N 0.315 123.157 122.820 0.037 0.000 2.363 68 A HA 0.248 4.568 4.320 0.000 0.000 0.270 68 A C 0.442 178.065 177.584 0.065 0.000 1.121 68 A CA -0.238 51.831 52.037 0.053 0.000 0.800 68 A CB 0.494 19.529 19.000 0.059 0.000 1.052 68 A HN 0.080 nan 8.150 nan 0.000 0.493 69 D N 0.608 121.058 120.400 0.083 0.000 2.463 69 D HA 0.141 4.781 4.640 0.000 0.000 0.237 69 D C -0.181 176.209 176.300 0.150 0.000 1.013 69 D CA 1.126 55.184 54.000 0.096 0.000 0.910 69 D CB 0.650 41.495 40.800 0.074 0.000 1.080 69 D HN 0.285 nan 8.370 nan 0.000 0.498 70 V N 2.037 122.061 119.914 0.183 0.000 2.487 70 V HA 0.389 4.509 4.120 0.000 0.000 0.298 70 V C -0.201 176.026 176.094 0.222 0.000 1.028 70 V CA -0.776 61.677 62.300 0.256 0.000 0.860 70 V CB 2.429 34.452 31.823 0.334 0.000 0.991 70 V HN -0.224 nan 8.190 nan 0.000 0.427 71 V N 3.377 123.464 119.914 0.288 0.000 2.444 71 V HA 0.491 4.611 4.120 0.000 0.000 0.294 71 V C -1.136 175.225 176.094 0.445 0.000 1.022 71 V CA -0.610 61.853 62.300 0.271 0.000 0.850 71 V CB 1.830 33.756 31.823 0.171 0.000 0.992 71 V HN 0.838 nan 8.190 nan 0.000 0.426 72 W N 3.958 125.294 121.300 0.061 0.000 2.433 72 W HA 0.794 5.454 4.660 0.000 0.000 0.315 72 W C 0.174 176.722 176.519 0.048 0.000 1.087 72 W CA -0.957 56.426 57.345 0.065 0.000 1.205 72 W CB 1.347 30.840 29.460 0.056 0.000 1.288 72 W HN 0.513 nan 8.180 nan 0.000 0.504 73 K N 0.576 121.102 120.400 0.210 0.000 2.499 73 K HA 0.509 4.829 4.320 0.000 0.000 0.277 73 K C -0.048 176.578 176.600 0.044 0.000 1.025 73 K CA -0.466 55.880 56.287 0.098 0.000 0.900 73 K CB 1.801 34.347 32.500 0.077 0.000 1.494 73 K HN 0.201 nan 8.250 nan 0.000 0.442 74 V N -2.110 117.750 119.914 -0.090 0.000 3.539 74 V HA 0.361 4.481 4.120 0.000 0.000 0.262 74 V C -0.283 175.781 176.094 -0.050 0.000 1.381 74 V CA 0.021 62.186 62.300 -0.225 0.000 1.060 74 V CB 0.890 32.224 31.823 -0.815 0.000 0.842 74 V HN 0.452 nan 8.190 nan 0.000 0.445 75 Q N 2.103 121.875 119.800 -0.047 0.000 2.301 75 Q HA 0.476 4.816 4.340 0.000 0.000 0.267 75 Q C -0.280 175.735 176.000 0.025 0.000 1.035 75 Q CA -0.565 55.225 55.803 -0.022 0.000 0.856 75 Q CB 2.542 31.249 28.738 -0.052 0.000 1.337 75 Q HN 0.783 nan 8.270 nan 0.000 0.450 76 R N 1.251 121.777 120.500 0.044 0.000 2.679 76 R HA 0.271 4.611 4.340 0.000 0.000 0.268 76 R C -2.185 174.128 176.300 0.023 0.000 1.044 76 R CA -1.023 55.103 56.100 0.044 0.000 1.105 76 R CB -0.498 29.830 30.300 0.047 0.000 0.989 76 R HN 0.197 nan 8.270 nan 0.000 0.447 77 P HA 0.015 nan 4.420 nan 0.000 0.275 77 P C -0.410 176.897 177.300 0.011 0.000 1.228 77 P CA -0.119 62.990 63.100 0.016 0.000 0.786 77 P CB 0.799 32.511 31.700 0.021 0.000 0.927 78 M N 1.878 121.483 119.600 0.007 0.000 2.219 78 M HA 0.137 4.617 4.480 0.000 0.000 0.353 78 M C 1.307 177.610 176.300 0.005 0.000 1.304 78 M CA 0.140 55.443 55.300 0.004 0.000 1.115 78 M CB 0.158 32.759 32.600 0.001 0.000 1.664 78 M HN 0.399 nan 8.290 nan 0.000 0.459 79 T N 0.109 114.666 114.554 0.005 0.000 2.771 79 T HA 0.437 4.787 4.350 0.000 0.000 0.290 79 T C 1.245 175.948 174.700 0.004 0.000 1.005 79 T CA -0.318 61.785 62.100 0.005 0.000 0.944 79 T CB 0.817 69.688 68.868 0.004 0.000 1.147 79 T HN 0.686 nan 8.240 nan 0.000 0.534 80 A N 0.128 122.950 122.820 0.003 0.000 1.898 80 A HA -0.006 4.314 4.320 0.000 0.000 0.216 80 A C 2.248 179.833 177.584 0.002 0.000 1.181 80 A CA 1.555 53.594 52.037 0.003 0.000 0.620 80 A CB -1.128 17.874 19.000 0.003 0.000 0.819 80 A HN 0.898 nan 8.150 nan 0.000 0.442 81 E N 0.364 120.565 120.200 0.002 0.000 2.023 81 E HA -0.187 4.163 4.350 0.000 0.000 0.196 81 E C 1.869 178.469 176.600 0.001 0.000 1.003 81 E CA 1.615 58.016 56.400 0.002 0.000 0.809 81 E CB -0.343 29.358 29.700 0.002 0.000 0.755 81 E HN 0.723 nan 8.360 nan 0.000 0.449 82 E N -0.301 119.899 120.200 0.001 0.000 2.284 82 E HA -0.111 4.239 4.350 0.000 0.000 0.200 82 E C 1.005 177.604 176.600 -0.000 0.000 1.008 82 E CA 0.735 57.136 56.400 0.000 0.000 0.829 82 E CB -0.038 29.662 29.700 0.001 0.000 0.744 82 E HN 0.306 nan 8.360 nan 0.000 0.491 83 G N 0.047 108.847 108.800 0.000 0.000 2.233 83 G HA2 -0.193 3.767 3.960 0.000 0.000 0.162 83 G HA3 -0.193 3.767 3.960 0.000 0.000 0.162 83 G C -0.439 174.461 174.900 0.000 0.000 1.327 83 G CA -0.326 44.773 45.100 -0.000 0.000 1.187 83 G HN 0.047 nan 8.290 nan 0.000 0.479 84 T N 2.006 116.560 114.554 0.000 0.000 2.695 84 T HA 0.252 4.602 4.350 0.000 0.000 0.264 84 T C 0.274 174.975 174.700 0.003 0.000 0.993 84 T CA 0.914 63.015 62.100 0.001 0.000 1.248 84 T CB -0.737 68.131 68.868 0.000 0.000 0.946 84 T HN 0.543 nan 8.240 nan 0.000 0.526 85 D N 4.058 124.460 120.400 0.004 0.000 2.450 85 D HA 0.031 4.671 4.640 0.000 0.000 0.247 85 D C 0.774 177.079 176.300 0.007 0.000 1.162 85 D CA 0.247 54.250 54.000 0.005 0.000 0.879 85 D CB 0.861 41.664 40.800 0.005 0.000 1.163 85 D HN 0.741 nan 8.370 nan 0.000 0.472 86 E N 2.147 122.352 120.200 0.009 0.000 2.290 86 E HA -0.055 4.295 4.350 0.000 0.000 0.199 86 E C 1.739 178.348 176.600 0.015 0.000 0.912 86 E CA -0.106 56.301 56.400 0.012 0.000 0.924 86 E CB 0.304 30.011 29.700 0.013 0.000 0.901 86 E HN 0.305 nan 8.360 nan 0.000 0.487 87 V N 1.039 120.962 119.914 0.013 0.000 3.244 87 V HA -0.233 3.887 4.120 0.000 0.000 0.273 87 V C 1.576 177.678 176.094 0.014 0.000 1.180 87 V CA 1.778 64.086 62.300 0.014 0.000 1.182 87 V CB -0.376 31.452 31.823 0.009 0.000 0.796 87 V HN 0.335 nan 8.190 nan 0.000 0.543 88 A N -1.076 121.751 122.820 0.013 0.000 2.085 88 A HA 0.232 4.552 4.320 0.000 0.000 0.208 88 A C 1.686 179.279 177.584 0.014 0.000 1.191 88 A CA 0.486 52.530 52.037 0.012 0.000 0.799 88 A CB -0.172 18.833 19.000 0.009 0.000 0.877 88 A HN 0.497 nan 8.150 nan 0.000 0.473 89 L N -0.014 121.218 121.223 0.016 0.000 2.376 89 L HA 0.171 4.511 4.340 0.000 0.000 0.219 89 L C 1.124 178.008 176.870 0.023 0.000 1.133 89 L CA 0.633 55.483 54.840 0.018 0.000 0.816 89 L CB -0.619 41.450 42.059 0.018 0.000 0.933 89 L HN 0.522 nan 8.230 nan 0.000 0.449 90 I N 1.601 122.187 120.570 0.027 0.000 2.421 90 I HA 0.029 4.199 4.170 0.000 0.000 0.291 90 I C 0.961 177.097 176.117 0.031 0.000 1.089 90 I CA -0.380 60.941 61.300 0.034 0.000 1.354 90 I CB 0.083 38.107 38.000 0.039 0.000 1.413 90 I HN 0.131 nan 8.210 nan 0.000 0.513 91 K N 7.972 128.392 120.400 0.032 0.000 2.600 91 K HA -0.107 4.213 4.320 0.000 0.000 0.280 91 K C 0.020 176.637 176.600 0.028 0.000 0.971 91 K CA 0.302 56.606 56.287 0.028 0.000 1.053 91 K CB 0.466 32.985 32.500 0.032 0.000 0.856 91 K HN 0.774 nan 8.250 nan 0.000 0.495 92 E N 2.787 123.000 120.200 0.021 0.000 2.383 92 E HA 0.210 4.560 4.350 0.000 0.000 0.264 92 E C 0.216 176.828 176.600 0.021 0.000 1.050 92 E CA -0.198 56.213 56.400 0.018 0.000 0.896 92 E CB 0.667 30.375 29.700 0.013 0.000 0.982 92 E HN 0.811 nan 8.360 nan 0.000 0.424 93 G N 1.207 110.019 108.800 0.019 0.000 2.462 93 G HA2 0.041 4.001 3.960 0.000 0.000 0.283 93 G HA3 0.041 4.001 3.960 0.000 0.000 0.283 93 G C -0.117 174.803 174.900 0.034 0.000 1.043 93 G CA 0.176 45.289 45.100 0.022 0.000 1.300 93 G HN 0.942 nan 8.290 nan 0.000 0.518 94 A N -0.465 122.379 122.820 0.041 0.000 2.765 94 A HA 1.084 5.404 4.320 0.000 0.000 0.305 94 A C -0.230 177.400 177.584 0.078 0.000 1.229 94 A CA 0.161 52.237 52.037 0.065 0.000 0.653 94 A CB 1.316 20.357 19.000 0.069 0.000 1.375 94 A HN 2.096 nan 8.150 nan 0.000 0.540 95 V N -1.494 118.494 119.914 0.122 0.000 2.733 95 V HA 0.794 4.914 4.120 0.000 0.000 0.306 95 V C -0.805 175.407 176.094 0.198 0.000 1.084 95 V CA -0.468 61.927 62.300 0.158 0.000 0.905 95 V CB 0.997 32.984 31.823 0.272 0.000 1.010 95 V HN 1.498 nan 8.190 nan 0.000 0.424 96 L N 4.669 125.982 121.223 0.151 0.000 2.401 96 L HA 0.935 5.275 4.340 0.000 0.000 0.266 96 L C -0.938 176.022 176.870 0.150 0.000 0.991 96 L CA -0.614 54.322 54.840 0.161 0.000 0.818 96 L CB 2.273 44.388 42.059 0.093 0.000 1.321 96 L HN 0.869 nan 8.230 nan 0.000 0.413 97 M N 5.154 124.823 119.600 0.115 0.000 2.593 97 M HA 0.766 5.246 4.480 0.000 0.000 0.290 97 M C -0.496 175.754 176.300 -0.084 0.000 1.244 97 M CA -0.520 54.765 55.300 -0.025 0.000 0.857 97 M CB 2.046 34.538 32.600 -0.180 0.000 1.738 97 M HN 1.081 nan 8.290 nan 0.000 0.461 98 C N -1.619 117.614 119.300 -0.111 0.000 3.151 98 C HA 0.277 4.737 4.460 0.000 0.000 0.261 98 C C -1.315 173.706 174.990 0.052 0.000 1.338 98 C CA -1.017 58.017 59.018 0.027 0.000 1.054 98 C CB 0.513 28.317 27.740 0.107 0.000 1.554 98 C HN 1.055 nan 8.230 nan 0.000 0.380 99 H N 0.255 119.364 119.070 0.065 0.000 2.472 99 H HA 0.824 5.380 4.556 0.000 0.000 0.338 99 H C 0.318 175.648 175.328 0.004 0.000 1.133 99 H CA -0.432 55.634 56.048 0.031 0.000 1.216 99 H CB 1.174 30.992 29.762 0.093 0.000 1.497 99 H HN 0.599 nan 8.280 nan 0.000 0.500 100 L N 3.007 124.247 121.223 0.027 0.000 2.948 100 L HA 0.289 4.629 4.340 0.000 0.000 0.259 100 L C 1.237 178.146 176.870 0.065 0.000 1.136 100 L CA 0.400 55.265 54.840 0.042 0.000 0.959 100 L CB 0.781 42.816 42.059 -0.040 0.000 1.370 100 L HN 1.017 nan 8.230 nan 0.000 0.552 101 G N 1.305 110.137 108.800 0.053 0.000 2.273 101 G HA2 -0.344 3.616 3.960 0.000 0.000 0.280 101 G HA3 -0.344 3.616 3.960 0.000 0.000 0.280 101 G C 1.146 176.040 174.900 -0.011 0.000 1.047 101 G CA 0.701 45.841 45.100 0.067 0.000 0.869 101 G HN 0.425 nan 8.290 nan 0.000 0.502 102 A N -0.394 122.380 122.820 -0.077 0.000 1.896 102 A HA -0.045 4.275 4.320 0.000 0.000 0.220 102 A C 2.026 179.572 177.584 -0.065 0.000 1.206 102 A CA 1.686 53.667 52.037 -0.093 0.000 0.647 102 A CB -0.261 18.635 19.000 -0.174 0.000 0.828 102 A HN 1.046 nan 8.150 nan 0.000 0.455 103 L N 0.596 121.781 121.223 -0.062 0.000 2.922 103 L HA 0.114 4.454 4.340 0.000 0.000 0.244 103 L C 0.662 177.531 176.870 -0.002 0.000 1.324 103 L CA 0.759 55.584 54.840 -0.024 0.000 1.172 103 L CB -0.845 41.205 42.059 -0.015 0.000 1.545 103 L HN 0.678 nan 8.230 nan 0.000 0.438 104 T N -6.361 108.194 114.554 0.001 0.000 3.418 104 T HA 0.001 4.351 4.350 0.000 0.000 0.282 104 T C 0.631 175.338 174.700 0.011 0.000 0.863 104 T CA -0.381 61.726 62.100 0.012 0.000 0.823 104 T CB -0.089 68.792 68.868 0.022 0.000 1.239 104 T HN 0.182 nan 8.240 nan 0.000 0.766 105 N N 1.254 119.957 118.700 0.006 0.000 2.735 105 N HA 0.391 5.131 4.740 0.000 0.000 0.312 105 N C 1.198 176.708 175.510 0.000 0.000 1.843 105 N CA -0.446 52.608 53.050 0.006 0.000 0.945 105 N CB 0.801 39.295 38.487 0.012 0.000 1.299 105 N HN 0.098 nan 8.380 nan 0.000 0.489 106 R N 1.502 122.003 120.500 0.001 0.000 2.159 106 R HA -0.145 4.195 4.340 0.000 0.000 0.252 106 R C -1.064 175.236 176.300 -0.000 0.000 1.144 106 R CA 2.241 58.341 56.100 0.001 0.000 0.961 106 R CB -1.163 29.140 30.300 0.005 0.000 0.877 106 R HN 0.270 nan 8.270 nan 0.000 0.444 107 P HA -0.197 nan 4.420 nan 0.000 0.215 107 P C 1.328 178.628 177.300 0.000 0.000 1.163 107 P CA 1.777 64.878 63.100 0.002 0.000 0.894 107 P CB -0.090 31.611 31.700 0.003 0.000 0.791 108 V N -0.605 119.309 119.914 0.000 0.000 2.392 108 V HA -0.223 3.897 4.120 0.000 0.000 0.249 108 V C 2.450 178.540 176.094 -0.008 0.000 1.059 108 V CA 1.837 64.136 62.300 -0.001 0.000 1.051 108 V CB -1.358 30.466 31.823 0.002 0.000 0.658 108 V HN -0.033 nan 8.190 nan 0.000 0.455 109 V N 0.300 120.207 119.914 -0.012 0.000 2.231 109 V HA -0.348 3.772 4.120 0.000 0.000 0.248 109 V C 2.376 178.462 176.094 -0.013 0.000 1.054 109 V CA 2.481 64.770 62.300 -0.018 0.000 1.015 109 V CB -0.943 30.870 31.823 -0.017 0.000 0.638 109 V HN 0.589 nan 8.190 nan 0.000 0.444 110 E N 0.477 120.673 120.200 -0.007 0.000 2.153 110 E HA -0.165 4.185 4.350 0.000 0.000 0.194 110 E C 2.283 178.880 176.600 -0.005 0.000 0.988 110 E CA 1.226 57.624 56.400 -0.004 0.000 0.811 110 E CB -0.451 29.248 29.700 -0.001 0.000 0.746 110 E HN 0.617 nan 8.360 nan 0.000 0.466 111 A N 1.143 123.961 122.820 -0.004 0.000 1.849 111 A HA -0.224 4.096 4.320 0.000 0.000 0.217 111 A C 2.087 179.670 177.584 -0.003 0.000 1.202 111 A CA 1.685 53.721 52.037 -0.002 0.000 0.629 111 A CB -0.713 18.287 19.000 0.000 0.000 0.834 111 A HN 0.155 nan 8.150 nan 0.000 0.447 112 L N -0.554 120.665 121.223 -0.007 0.000 2.376 112 L HA -0.022 4.318 4.340 0.000 0.000 0.219 112 L C 2.431 179.293 176.870 -0.013 0.000 1.133 112 L CA 1.704 56.539 54.840 -0.008 0.000 0.816 112 L CB -0.988 41.062 42.059 -0.014 0.000 0.933 112 L HN 0.288 nan 8.230 nan 0.000 0.449 113 T N -0.560 113.985 114.554 -0.014 0.000 2.821 113 T HA -0.131 4.219 4.350 0.000 0.000 0.267 113 T C 1.839 176.534 174.700 -0.008 0.000 1.046 113 T CA 1.232 63.324 62.100 -0.014 0.000 1.139 113 T CB -0.045 68.816 68.868 -0.012 0.000 0.871 113 T HN 0.327 nan 8.240 nan 0.000 0.454 114 K N 0.268 120.666 120.400 -0.004 0.000 2.365 114 K HA 0.163 4.483 4.320 0.000 0.000 0.197 114 K C 1.990 178.590 176.600 0.000 0.000 1.042 114 K CA 0.297 56.583 56.287 -0.001 0.000 0.987 114 K CB 0.244 32.745 32.500 0.000 0.000 0.779 114 K HN -0.018 nan 8.250 nan 0.000 0.484 115 R N 1.113 121.613 120.500 0.000 0.000 2.334 115 R HA 0.063 4.403 4.340 0.000 0.000 0.216 115 R C -0.162 176.141 176.300 0.004 0.000 0.905 115 R CA 0.045 56.148 56.100 0.004 0.000 1.064 115 R CB 0.111 30.414 30.300 0.006 0.000 1.046 115 R HN 0.070 nan 8.270 nan 0.000 0.508 116 K N 1.321 121.721 120.400 -0.000 0.000 4.361 116 K HA -0.168 4.152 4.320 0.000 0.000 0.294 116 K C -1.343 175.257 176.600 0.001 0.000 0.970 116 K CA 0.576 56.863 56.287 -0.000 0.000 0.913 116 K CB -1.285 31.217 32.500 0.004 0.000 1.583 116 K HN 0.216 nan 8.250 nan 0.000 0.438 117 I N 1.797 122.361 120.570 -0.009 0.000 2.607 117 I HA 0.139 4.309 4.170 0.000 0.000 0.290 117 I C 0.226 176.316 176.117 -0.045 0.000 1.129 117 I CA -0.870 60.424 61.300 -0.010 0.000 1.042 117 I CB 2.256 40.256 38.000 -0.000 0.000 1.242 117 I HN 0.086 nan 8.210 nan 0.000 0.421 118 T N 4.862 119.380 114.554 -0.061 0.000 2.817 118 T HA 0.620 4.970 4.350 0.000 0.000 0.293 118 T C -0.088 174.463 174.700 -0.249 0.000 0.964 118 T CA -0.416 61.583 62.100 -0.169 0.000 1.085 118 T CB 1.130 69.895 68.868 -0.172 0.000 0.921 118 T HN 0.641 nan 8.240 nan 0.000 0.502 119 A N 3.344 125.959 122.820 -0.341 0.000 2.356 119 A HA 0.724 5.044 4.320 0.000 0.000 0.310 119 A C -1.530 175.800 177.584 -0.423 0.000 1.075 119 A CA -0.759 51.108 52.037 -0.283 0.000 0.746 119 A CB 0.840 19.760 19.000 -0.134 0.000 1.221 119 A HN 0.772 nan 8.150 nan 0.000 0.443 120 Y N 0.753 121.038 120.300 -0.024 0.000 2.352 120 Y HA 0.569 5.119 4.550 -0.000 0.000 0.339 120 Y C 0.609 176.410 175.900 -0.164 0.000 0.992 120 Y CA -0.551 57.510 58.100 -0.067 0.000 1.100 120 Y CB 2.199 40.623 38.460 -0.060 0.000 1.192 120 Y HN 0.783 nan 8.280 nan 0.000 0.458 121 A N 4.751 127.546 122.820 -0.041 0.000 2.540 121 A HA 0.343 4.663 4.320 0.000 0.000 0.340 121 A C 0.882 178.336 177.584 -0.217 0.000 1.424 121 A CA -0.612 51.335 52.037 -0.151 0.000 0.940 121 A CB -0.012 18.877 19.000 -0.186 0.000 1.149 121 A HN 0.837 nan 8.150 nan 0.000 0.505 122 M N 1.532 120.959 119.600 -0.288 0.000 2.143 122 M HA -0.197 4.283 4.480 0.000 0.000 0.258 122 M C 2.174 178.309 176.300 -0.274 0.000 1.071 122 M CA 1.970 57.067 55.300 -0.338 0.000 1.088 122 M CB -1.115 31.244 32.600 -0.401 0.000 1.360 122 M HN 0.925 nan 8.290 nan 0.000 0.404 123 E N 0.908 120.884 120.200 -0.374 0.000 2.393 123 E HA -0.170 4.180 4.350 0.000 0.000 0.201 123 E C 0.568 177.036 176.600 -0.220 0.000 1.025 123 E CA 0.871 57.027 56.400 -0.405 0.000 0.856 123 E CB -0.660 28.492 29.700 -0.912 0.000 0.771 123 E HN 0.523 nan 8.360 nan 0.000 0.526 124 L N 1.586 122.700 121.223 -0.181 0.000 2.603 124 L HA 0.345 4.685 4.340 0.000 0.000 0.242 124 L C -0.162 176.686 176.870 -0.036 0.000 1.169 124 L CA -0.689 54.095 54.840 -0.092 0.000 1.029 124 L CB 0.573 42.572 42.059 -0.101 0.000 1.361 124 L HN -0.015 nan 8.230 nan 0.000 0.439 125 M N 4.665 124.246 119.600 -0.032 0.000 2.113 125 M HA 0.406 4.886 4.480 0.000 0.000 0.352 125 M C -2.212 174.104 176.300 0.027 0.000 1.170 125 M CA -2.533 52.773 55.300 0.010 0.000 1.053 125 M CB 0.836 33.428 32.600 -0.014 0.000 1.601 125 M HN -0.027 nan 8.290 nan 0.000 0.459 126 P HA -0.046 nan 4.420 nan 0.000 0.256 126 P C -0.678 176.637 177.300 0.024 0.000 1.189 126 P CA 0.194 63.319 63.100 0.041 0.000 0.808 126 P CB -0.037 31.693 31.700 0.049 0.000 0.793 127 R N 4.344 124.854 120.500 0.016 0.000 3.072 127 R HA 0.062 4.402 4.340 0.000 0.000 0.220 127 R C 0.607 176.910 176.300 0.005 0.000 1.627 127 R CA 0.296 56.401 56.100 0.008 0.000 1.079 127 R CB -1.148 29.156 30.300 0.006 0.000 1.217 127 R HN 0.601 nan 8.270 nan 0.000 0.615 128 I N -1.893 118.680 120.570 0.004 0.000 2.499 128 I HA 0.247 4.417 4.170 0.000 0.000 0.288 128 I C 1.080 177.195 176.117 -0.005 0.000 1.048 128 I CA -0.720 60.580 61.300 -0.000 0.000 1.062 128 I CB 2.259 40.259 38.000 -0.000 0.000 1.238 128 I HN -0.039 nan 8.210 nan 0.000 0.426 129 S N 3.683 119.379 115.700 -0.007 0.000 2.426 129 S HA -0.322 4.148 4.470 0.000 0.000 0.253 129 S C 1.850 176.442 174.600 -0.012 0.000 1.104 129 S CA 2.700 60.894 58.200 -0.010 0.000 1.158 129 S CB -0.542 62.652 63.200 -0.010 0.000 1.043 129 S HN 0.842 nan 8.310 nan 0.000 0.443 130 R N 0.806 121.298 120.500 -0.015 0.000 2.152 130 R HA -0.028 4.312 4.340 0.000 0.000 0.232 130 R C 1.914 178.199 176.300 -0.024 0.000 1.117 130 R CA 1.329 57.416 56.100 -0.021 0.000 0.981 130 R CB -0.264 30.021 30.300 -0.024 0.000 0.870 130 R HN 0.422 nan 8.270 nan 0.000 0.451 131 A N -0.255 122.556 122.820 -0.016 0.000 2.252 131 A HA 0.035 4.355 4.320 0.000 0.000 0.213 131 A C 1.749 179.331 177.584 -0.003 0.000 1.188 131 A CA -0.102 51.930 52.037 -0.008 0.000 0.863 131 A CB 0.066 19.070 19.000 0.006 0.000 0.893 131 A HN 0.384 nan 8.150 nan 0.000 0.495 132 Q N -0.132 119.663 119.800 -0.010 0.000 2.248 132 Q HA -0.195 4.145 4.340 0.000 0.000 0.208 132 Q C 2.197 178.185 176.000 -0.020 0.000 0.984 132 Q CA 1.613 57.407 55.803 -0.014 0.000 0.875 132 Q CB -0.176 28.554 28.738 -0.013 0.000 0.910 132 Q HN 0.670 nan 8.270 nan 0.000 0.433 133 S N 0.287 115.975 115.700 -0.020 0.000 2.377 133 S HA -0.222 4.248 4.470 0.000 0.000 0.224 133 S C 1.490 176.068 174.600 -0.036 0.000 1.042 133 S CA 1.931 60.116 58.200 -0.024 0.000 1.086 133 S CB -0.082 63.105 63.200 -0.022 0.000 0.995 133 S HN 0.465 nan 8.310 nan 0.000 0.428 134 M N 1.229 120.812 119.600 -0.027 0.000 2.633 134 M HA 0.256 4.736 4.480 0.000 0.000 0.226 134 M C 0.320 176.562 176.300 -0.097 0.000 1.137 134 M CA 0.182 55.449 55.300 -0.054 0.000 1.020 134 M CB -0.370 32.260 32.600 0.051 0.000 1.675 134 M HN 0.047 nan 8.290 nan 0.000 0.500 135 D N 1.904 122.261 120.400 -0.072 0.000 2.745 135 D HA 0.051 4.691 4.640 0.000 0.000 0.229 135 D C 1.272 177.505 176.300 -0.112 0.000 1.088 135 D CA -0.092 53.863 54.000 -0.075 0.000 1.054 135 D CB -0.093 40.683 40.800 -0.039 0.000 1.132 135 D HN 0.462 nan 8.370 nan 0.000 0.464 136 I N -0.966 119.480 120.570 -0.207 0.000 2.576 136 I HA -0.293 3.877 4.170 0.000 0.000 0.263 136 I C 1.368 177.421 176.117 -0.107 0.000 1.183 136 I CA 1.197 62.331 61.300 -0.276 0.000 1.432 136 I CB -0.499 37.154 38.000 -0.578 0.000 1.100 136 I HN 0.200 nan 8.210 nan 0.000 0.452 137 L N 1.041 122.232 121.223 -0.054 0.000 2.056 137 L HA -0.144 4.196 4.340 0.000 0.000 0.207 137 L C 2.896 179.774 176.870 0.013 0.000 1.078 137 L CA 2.064 56.910 54.840 0.010 0.000 0.749 137 L CB -1.037 41.028 42.059 0.011 0.000 0.901 137 L HN 0.662 nan 8.230 nan 0.000 0.433 138 S N -0.895 114.800 115.700 -0.008 0.000 2.336 138 S HA -0.228 4.242 4.470 0.000 0.000 0.214 138 S C 2.292 176.898 174.600 0.009 0.000 1.032 138 S CA 1.553 59.754 58.200 0.002 0.000 1.001 138 S CB -1.132 62.063 63.200 -0.009 0.000 0.953 138 S HN 0.518 nan 8.310 nan 0.000 0.430 139 S N 2.422 118.118 115.700 -0.007 0.000 2.408 139 S HA -0.328 4.142 4.470 0.000 0.000 0.241 139 S C 2.087 176.711 174.600 0.040 0.000 1.080 139 S CA 1.816 60.021 58.200 0.008 0.000 1.109 139 S CB -1.135 62.060 63.200 -0.008 0.000 0.966 139 S HN 0.702 nan 8.310 nan 0.000 0.449 140 Q N 1.009 120.845 119.800 0.060 0.000 2.062 140 Q HA 0.133 4.473 4.340 0.000 0.000 0.196 140 Q C 2.676 178.716 176.000 0.067 0.000 0.967 140 Q CA 1.408 57.262 55.803 0.084 0.000 0.832 140 Q CB -0.984 27.828 28.738 0.123 0.000 0.899 140 Q HN 0.642 nan 8.270 nan 0.000 0.442 141 S N 2.043 117.777 115.700 0.058 0.000 2.419 141 S HA -0.160 4.310 4.470 0.000 0.000 0.235 141 S C 1.732 176.367 174.600 0.058 0.000 1.019 141 S CA 1.395 59.628 58.200 0.054 0.000 0.982 141 S CB -0.278 62.950 63.200 0.047 0.000 0.789 141 S HN 0.414 nan 8.310 nan 0.000 0.490 142 N N 1.550 120.281 118.700 0.053 0.000 2.106 142 N HA 0.010 4.750 4.740 0.000 0.000 0.188 142 N C 1.532 177.092 175.510 0.082 0.000 1.029 142 N CA 1.285 54.369 53.050 0.056 0.000 0.848 142 N CB -0.390 38.119 38.487 0.036 0.000 1.007 142 N HN 0.337 nan 8.380 nan 0.000 0.423 143 L N -0.139 121.131 121.223 0.078 0.000 2.044 143 L HA 0.018 4.358 4.340 0.000 0.000 0.205 143 L C 2.482 179.448 176.870 0.160 0.000 1.075 143 L CA 1.072 55.980 54.840 0.113 0.000 0.747 143 L CB -0.761 41.340 42.059 0.071 0.000 0.903 143 L HN 0.236 nan 8.230 nan 0.000 0.435 144 A N 0.513 123.396 122.820 0.105 0.000 1.997 144 A HA -0.206 4.114 4.320 0.000 0.000 0.221 144 A C 2.345 179.979 177.584 0.083 0.000 1.172 144 A CA 1.967 54.055 52.037 0.085 0.000 0.645 144 A CB -1.234 17.803 19.000 0.062 0.000 0.813 144 A HN 0.490 nan 8.150 nan 0.000 0.454 145 G N -1.536 107.322 108.800 0.097 0.000 2.414 145 G HA2 -0.224 3.736 3.960 0.000 0.000 0.215 145 G HA3 -0.224 3.736 3.960 0.000 0.000 0.215 145 G C 1.515 176.479 174.900 0.107 0.000 1.188 145 G CA 1.217 46.371 45.100 0.089 0.000 0.783 145 G HN 0.654 nan 8.290 nan 0.000 0.537 146 Y N 1.446 121.755 120.300 0.015 0.000 2.053 146 Y HA -0.164 4.386 4.550 -0.000 0.000 0.277 146 Y C 2.970 178.870 175.900 0.001 0.000 1.159 146 Y CA 2.275 60.380 58.100 0.009 0.000 1.125 146 Y CB -0.311 38.152 38.460 0.006 0.000 0.969 146 Y HN -0.025 nan 8.280 nan 0.000 0.492 147 R N 0.937 121.437 120.500 0.000 0.000 2.133 147 R HA -0.306 4.034 4.340 0.000 0.000 0.245 147 R C 2.467 178.661 176.300 -0.175 0.000 1.137 147 R CA 1.627 57.649 56.100 -0.130 0.000 0.947 147 R CB -1.499 28.826 30.300 0.043 0.000 0.865 147 R HN 0.631 nan 8.270 nan 0.000 0.437 148 A N 0.215 122.981 122.820 -0.090 0.000 1.909 148 A HA -0.254 4.066 4.320 0.000 0.000 0.221 148 A C 2.517 180.040 177.584 -0.101 0.000 1.223 148 A CA 2.704 54.694 52.037 -0.079 0.000 0.658 148 A CB -0.994 17.990 19.000 -0.026 0.000 0.831 148 A HN 0.211 nan 8.150 nan 0.000 0.462 149 V N 0.371 120.205 119.914 -0.133 0.000 2.270 149 V HA -0.240 3.880 4.120 0.000 0.000 0.245 149 V C 2.415 178.365 176.094 -0.238 0.000 1.043 149 V CA 1.761 63.979 62.300 -0.136 0.000 1.014 149 V CB -0.762 30.977 31.823 -0.138 0.000 0.645 149 V HN 0.555 nan 8.190 nan 0.000 0.447 150 I N 0.664 121.015 120.570 -0.365 0.000 2.315 150 I HA -0.237 3.933 4.170 0.000 0.000 0.251 150 I C 2.105 178.141 176.117 -0.136 0.000 1.125 150 I CA 1.727 62.841 61.300 -0.310 0.000 1.392 150 I CB -1.315 36.440 38.000 -0.409 0.000 1.065 150 I HN 0.383 nan 8.210 nan 0.000 0.424 151 D N 0.452 120.784 120.400 -0.115 0.000 2.149 151 D HA -0.025 4.615 4.640 0.000 0.000 0.206 151 D C 2.325 178.655 176.300 0.049 0.000 0.967 151 D CA 1.401 55.379 54.000 -0.037 0.000 0.848 151 D CB -0.599 40.119 40.800 -0.136 0.000 0.998 151 D HN 0.300 nan 8.370 nan 0.000 0.474 152 G N 0.907 109.713 108.800 0.010 0.000 2.440 152 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 152 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 152 G C 1.679 176.682 174.900 0.172 0.000 1.154 152 G CA 1.284 46.429 45.100 0.076 0.000 0.767 152 G HN 0.380 nan 8.290 nan 0.000 0.552 153 A N -0.293 122.584 122.820 0.094 0.000 1.972 153 A HA -0.006 4.314 4.320 0.000 0.000 0.219 153 A C 2.142 179.832 177.584 0.177 0.000 1.169 153 A CA 1.668 53.749 52.037 0.073 0.000 0.635 153 A CB -0.572 18.155 19.000 -0.454 0.000 0.810 153 A HN 0.473 nan 8.150 nan 0.000 0.446 154 Y N 0.878 121.193 120.300 0.025 0.000 2.070 154 Y HA -0.179 4.371 4.550 -0.000 0.000 0.279 154 Y C 2.241 178.200 175.900 0.099 0.000 1.134 154 Y CA 2.179 60.305 58.100 0.043 0.000 1.113 154 Y CB -0.193 38.282 38.460 0.026 0.000 0.981 154 Y HN 0.308 nan 8.280 nan 0.000 0.487 155 E N -0.016 120.324 120.200 0.234 0.000 2.331 155 E HA -0.186 4.164 4.350 0.000 0.000 0.199 155 E C 0.003 176.716 176.600 0.187 0.000 1.008 155 E CA 0.459 56.954 56.400 0.158 0.000 0.843 155 E CB -0.700 29.121 29.700 0.202 0.000 0.761 155 E HN 0.233 nan 8.360 nan 0.000 0.507 156 F N 1.281 121.256 119.950 0.041 0.000 2.471 156 F HA 0.244 4.771 4.527 0.000 0.000 0.365 156 F C 1.165 176.975 175.800 0.017 0.000 1.095 156 F CA -1.186 56.850 58.000 0.060 0.000 1.174 156 F CB 0.801 39.898 39.000 0.162 0.000 1.105 156 F HN -0.154 nan 8.300 nan 0.000 0.535 157 A N 6.724 129.324 122.820 -0.367 0.000 2.277 157 A HA 0.061 4.381 4.320 0.000 0.000 0.208 157 A C 1.040 178.285 177.584 -0.564 0.000 1.202 157 A CA 0.684 52.489 52.037 -0.387 0.000 0.762 157 A CB -0.488 18.355 19.000 -0.263 0.000 0.770 157 A HN 0.773 nan 8.150 nan 0.000 0.487 158 R N -2.709 117.220 120.500 -0.952 0.000 2.869 158 R HA 0.664 5.004 4.340 0.000 0.000 0.263 158 R C -0.645 175.594 176.300 -0.103 0.000 1.066 158 R CA -0.332 55.408 56.100 -0.601 0.000 0.960 158 R CB 1.607 31.461 30.300 -0.743 0.000 1.221 158 R HN 0.199 nan 8.270 nan 0.000 0.474 159 A N 0.491 123.348 122.820 0.063 0.000 2.293 159 A HA 0.418 4.738 4.320 0.000 0.000 0.302 159 A C -0.106 177.716 177.584 0.397 0.000 1.119 159 A CA -0.317 51.853 52.037 0.222 0.000 0.823 159 A CB 0.245 19.316 19.000 0.118 0.000 1.097 159 A HN 0.617 nan 8.150 nan 0.000 0.491 160 F N 1.519 121.557 119.950 0.147 0.000 2.074 160 F HA 0.086 4.613 4.527 -0.000 0.000 0.290 160 F C -1.002 174.846 175.800 0.079 0.000 1.118 160 F CA 0.684 58.758 58.000 0.123 0.000 1.199 160 F CB -0.718 38.328 39.000 0.077 0.000 1.012 160 F HN 0.338 nan 8.300 nan 0.000 0.472 161 P HA 0.020 nan 4.420 nan 0.000 0.274 161 P C -0.454 176.905 177.300 0.097 0.000 1.237 161 P CA -0.292 62.897 63.100 0.147 0.000 0.793 161 P CB 0.774 32.551 31.700 0.128 0.000 0.977 162 M N 3.024 122.664 119.600 0.066 0.000 2.184 162 M HA 0.250 4.730 4.480 0.000 0.000 0.351 162 M C -0.809 175.516 176.300 0.043 0.000 1.395 162 M CA 0.449 55.776 55.300 0.046 0.000 1.117 162 M CB -0.273 32.346 32.600 0.032 0.000 1.708 162 M HN 0.275 nan 8.290 nan 0.000 0.468 163 M N 5.941 125.563 119.600 0.037 0.000 2.535 163 M HA 0.504 4.984 4.480 0.000 0.000 0.314 163 M C -1.269 175.044 176.300 0.022 0.000 1.153 163 M CA -0.476 54.842 55.300 0.031 0.000 0.924 163 M CB 2.571 35.191 32.600 0.032 0.000 1.710 163 M HN 0.679 nan 8.290 nan 0.000 0.451 164 M N 2.349 121.960 119.600 0.018 0.000 2.053 164 M HA 0.368 4.848 4.480 0.000 0.000 0.297 164 M C -0.534 175.773 176.300 0.011 0.000 0.921 164 M CA -0.607 54.701 55.300 0.013 0.000 0.918 164 M CB 1.570 34.177 32.600 0.013 0.000 1.499 164 M HN 0.734 nan 8.290 nan 0.000 0.422 165 T N -0.915 113.644 114.554 0.008 0.000 2.922 165 T HA 0.680 5.030 4.350 0.000 0.000 0.281 165 T C 1.153 175.856 174.700 0.005 0.000 1.005 165 T CA -0.533 61.571 62.100 0.006 0.000 0.982 165 T CB 1.555 70.426 68.868 0.005 0.000 1.158 165 T HN 0.566 nan 8.240 nan 0.000 0.566 166 A N -0.255 122.567 122.820 0.003 0.000 2.119 166 A HA 0.361 4.681 4.320 0.000 0.000 0.217 166 A C 2.350 179.935 177.584 0.001 0.000 1.153 166 A CA 1.168 53.206 52.037 0.002 0.000 0.692 166 A CB -1.335 17.666 19.000 0.002 0.000 0.799 166 A HN 1.070 nan 8.150 nan 0.000 0.458 167 A N -1.397 121.423 122.820 0.001 0.000 2.016 167 A HA 0.457 4.777 4.320 0.000 0.000 0.217 167 A C 1.466 179.050 177.584 -0.000 0.000 1.162 167 A CA 1.667 53.704 52.037 -0.001 0.000 0.662 167 A CB -0.528 18.471 19.000 -0.002 0.000 0.812 167 A HN 1.857 nan 8.150 nan 0.000 0.450 168 G N -2.829 105.972 108.800 0.002 0.000 2.270 168 G HA2 0.303 4.263 3.960 0.000 0.000 0.268 168 G HA3 0.303 4.263 3.960 0.000 0.000 0.268 168 G C -0.475 174.428 174.900 0.004 0.000 1.312 168 G CA -0.217 44.885 45.100 0.002 0.000 1.050 168 G HN 0.539 nan 8.290 nan 0.000 0.474 169 T N -0.293 114.264 114.554 0.005 0.000 2.926 169 T HA 0.794 5.144 4.350 0.000 0.000 0.289 169 T C -0.451 174.253 174.700 0.007 0.000 1.054 169 T CA 0.131 62.236 62.100 0.007 0.000 1.015 169 T CB 1.710 70.583 68.868 0.008 0.000 1.167 169 T HN 1.856 nan 8.240 nan 0.000 0.526 170 V N -0.159 119.761 119.914 0.011 0.000 2.655 170 V HA 0.592 4.712 4.120 0.000 0.000 0.301 170 V C -2.877 173.228 176.094 0.018 0.000 1.082 170 V CA -2.403 59.904 62.300 0.012 0.000 0.899 170 V CB 1.324 33.154 31.823 0.012 0.000 1.014 170 V HN 0.708 nan 8.190 nan 0.000 0.429 171 P HA 0.250 nan 4.420 nan 0.000 0.267 171 P C -2.500 174.813 177.300 0.022 0.000 1.201 171 P CA -0.367 62.741 63.100 0.014 0.000 0.775 171 P CB 0.048 31.752 31.700 0.007 0.000 0.854 172 P HA 0.189 nan 4.420 nan 0.000 0.276 172 P C -0.548 176.731 177.300 -0.035 0.000 1.261 172 P CA -0.393 62.715 63.100 0.013 0.000 0.800 172 P CB 0.565 32.272 31.700 0.012 0.000 1.066 173 A N 1.802 124.555 122.820 -0.111 0.000 2.407 173 A HA 0.305 4.625 4.320 0.000 0.000 0.248 173 A C 0.348 177.745 177.584 -0.311 0.000 1.082 173 A CA -0.392 51.483 52.037 -0.269 0.000 0.785 173 A CB -0.094 18.504 19.000 -0.670 0.000 1.020 173 A HN 0.451 nan 8.150 nan 0.000 0.489 174 R N 1.197 121.531 120.500 -0.276 0.000 2.338 174 R HA 0.550 4.890 4.340 0.000 0.000 0.317 174 R C -1.251 174.883 176.300 -0.278 0.000 0.968 174 R CA -0.598 55.372 56.100 -0.215 0.000 0.849 174 R CB 1.567 31.787 30.300 -0.133 0.000 1.128 174 R HN 0.418 nan 8.270 nan 0.000 0.448 175 V N 4.108 123.879 119.914 -0.237 0.000 2.769 175 V HA 0.480 4.600 4.120 0.000 0.000 0.312 175 V C -0.271 175.745 176.094 -0.130 0.000 1.058 175 V CA -0.960 61.222 62.300 -0.197 0.000 0.952 175 V CB 2.230 33.963 31.823 -0.150 0.000 1.019 175 V HN 0.608 nan 8.190 nan 0.000 0.445 176 L N 3.526 124.689 121.223 -0.100 0.000 2.457 176 L HA 0.552 4.892 4.340 0.000 0.000 0.266 176 L C -1.196 175.601 176.870 -0.122 0.000 0.979 176 L CA -0.441 54.306 54.840 -0.155 0.000 0.857 176 L CB 1.778 43.731 42.059 -0.178 0.000 1.213 176 L HN 0.453 nan 8.230 nan 0.000 0.418 177 V N 4.807 124.639 119.914 -0.137 0.000 2.406 177 V HA 0.317 4.437 4.120 0.000 0.000 0.272 177 V C -0.322 175.700 176.094 -0.120 0.000 1.043 177 V CA -0.131 62.149 62.300 -0.034 0.000 0.915 177 V CB 1.224 33.054 31.823 0.012 0.000 0.988 177 V HN 0.415 nan 8.190 nan 0.000 0.466 178 F N 2.941 122.897 119.950 0.011 0.000 2.385 178 F HA 0.678 5.205 4.527 -0.000 0.000 0.360 178 F C 0.871 176.691 175.800 0.034 0.000 1.122 178 F CA -0.061 57.948 58.000 0.015 0.000 1.090 178 F CB 1.493 40.494 39.000 0.001 0.000 1.150 178 F HN 0.745 nan 8.300 nan 0.000 0.472 179 G N 2.501 111.415 108.800 0.190 0.000 2.897 179 G HA2 -0.090 3.870 3.960 0.000 0.000 0.436 179 G HA3 -0.090 3.870 3.960 0.000 0.000 0.436 179 G C -0.660 174.309 174.900 0.115 0.000 1.079 179 G CA -0.937 44.252 45.100 0.149 0.000 1.090 179 G HN 0.598 nan 8.290 nan 0.000 0.480 180 V N 3.036 123.019 119.914 0.115 0.000 2.800 180 V HA 0.464 4.584 4.120 0.000 0.000 0.365 180 V C 1.803 177.931 176.094 0.057 0.000 1.527 180 V CA 0.813 63.165 62.300 0.087 0.000 1.623 180 V CB -0.377 31.505 31.823 0.098 0.000 1.407 180 V HN 1.044 nan 8.190 nan 0.000 0.527 181 G N 0.409 109.245 108.800 0.059 0.000 2.803 181 G HA2 0.220 4.180 3.960 0.000 0.000 0.177 181 G HA3 0.220 4.180 3.960 0.000 0.000 0.177 181 G C 1.095 176.018 174.900 0.037 0.000 1.629 181 G CA 0.338 45.464 45.100 0.044 0.000 1.077 181 G HN 0.144 nan 8.290 nan 0.000 0.556 182 V N 0.688 120.624 119.914 0.036 0.000 2.500 182 V HA 0.080 4.200 4.120 0.000 0.000 0.243 182 V C 3.193 179.313 176.094 0.044 0.000 1.039 182 V CA 1.763 64.083 62.300 0.034 0.000 1.053 182 V CB -0.308 31.532 31.823 0.029 0.000 0.695 182 V HN 0.683 nan 8.190 nan 0.000 0.463 183 A N 0.662 123.512 122.820 0.049 0.000 1.933 183 A HA -0.075 4.245 4.320 0.000 0.000 0.218 183 A C 2.348 179.968 177.584 0.060 0.000 1.175 183 A CA 1.914 53.985 52.037 0.057 0.000 0.628 183 A CB -1.099 17.934 19.000 0.056 0.000 0.814 183 A HN 0.516 nan 8.150 nan 0.000 0.444 184 G N -0.012 108.824 108.800 0.060 0.000 2.421 184 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 184 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 184 G C 1.562 176.496 174.900 0.056 0.000 1.171 184 G CA 1.085 46.223 45.100 0.064 0.000 0.775 184 G HN 0.435 nan 8.290 nan 0.000 0.543 185 L N -0.342 120.910 121.223 0.048 0.000 1.994 185 L HA -0.109 4.231 4.340 0.000 0.000 0.208 185 L C 2.925 179.826 176.870 0.051 0.000 1.071 185 L CA 1.471 56.336 54.840 0.042 0.000 0.745 185 L CB -0.578 41.498 42.059 0.029 0.000 0.892 185 L HN 0.199 nan 8.230 nan 0.000 0.431 186 Q N 0.331 120.165 119.800 0.058 0.000 2.197 186 Q HA -0.206 4.134 4.340 0.000 0.000 0.207 186 Q C 2.078 178.132 176.000 0.090 0.000 0.984 186 Q CA 2.097 57.946 55.803 0.077 0.000 0.869 186 Q CB -0.291 28.500 28.738 0.088 0.000 0.906 186 Q HN 0.483 nan 8.270 nan 0.000 0.426 187 A N -0.396 122.469 122.820 0.075 0.000 2.016 187 A HA -0.052 4.268 4.320 0.000 0.000 0.217 187 A C 1.820 179.442 177.584 0.064 0.000 1.162 187 A CA 1.004 53.080 52.037 0.064 0.000 0.662 187 A CB -0.375 18.658 19.000 0.055 0.000 0.812 187 A HN 0.400 nan 8.150 nan 0.000 0.450 188 I N 0.090 120.695 120.570 0.059 0.000 2.163 188 I HA -0.194 3.976 4.170 0.000 0.000 0.240 188 I C 2.945 179.097 176.117 0.059 0.000 1.081 188 I CA 1.489 62.820 61.300 0.052 0.000 1.353 188 I CB -1.690 36.336 38.000 0.044 0.000 1.054 188 I HN 0.336 nan 8.210 nan 0.000 0.407 189 A N 0.459 123.315 122.820 0.060 0.000 1.978 189 A HA -0.194 4.126 4.320 0.000 0.000 0.220 189 A C 2.410 180.041 177.584 0.079 0.000 1.170 189 A CA 2.501 54.575 52.037 0.063 0.000 0.636 189 A CB -0.931 18.105 19.000 0.060 0.000 0.810 189 A HN 0.474 nan 8.150 nan 0.000 0.448 190 T N -0.546 114.062 114.554 0.090 0.000 2.901 190 T HA 0.228 4.578 4.350 0.000 0.000 0.252 190 T C 2.295 177.051 174.700 0.093 0.000 1.035 190 T CA 0.928 63.082 62.100 0.090 0.000 1.142 190 T CB -0.388 68.527 68.868 0.079 0.000 0.869 190 T HN 0.558 nan 8.240 nan 0.000 0.442 191 A N 1.954 124.847 122.820 0.120 0.000 1.986 191 A HA -0.186 4.134 4.320 0.000 0.000 0.220 191 A C 2.119 179.825 177.584 0.202 0.000 1.171 191 A CA 2.045 54.224 52.037 0.236 0.000 0.640 191 A CB -0.480 18.626 19.000 0.177 0.000 0.811 191 A HN 0.328 nan 8.150 nan 0.000 0.451 192 K N 0.736 121.207 120.400 0.118 0.000 1.965 192 K HA -0.163 4.157 4.320 0.000 0.000 0.214 192 K C 2.222 178.881 176.600 0.098 0.000 1.042 192 K CA 1.899 58.241 56.287 0.091 0.000 0.950 192 K CB -0.603 31.935 32.500 0.063 0.000 0.733 192 K HN 0.532 nan 8.250 nan 0.000 0.441 193 R N 0.552 121.101 120.500 0.083 0.000 2.204 193 R HA -0.162 4.178 4.340 0.000 0.000 0.253 193 R C 1.577 177.927 176.300 0.084 0.000 1.172 193 R CA 1.576 57.721 56.100 0.074 0.000 0.994 193 R CB -0.960 29.380 30.300 0.067 0.000 0.874 193 R HN 0.226 nan 8.270 nan 0.000 0.462 194 L N 1.093 122.382 121.223 0.111 0.000 2.675 194 L HA 0.184 4.524 4.340 0.000 0.000 0.239 194 L C 1.138 178.128 176.870 0.199 0.000 1.151 194 L CA 1.293 56.206 54.840 0.122 0.000 0.905 194 L CB -0.263 41.833 42.059 0.062 0.000 1.057 194 L HN 0.611 nan 8.230 nan 0.000 0.435 195 G N -1.859 107.031 108.800 0.150 0.000 2.205 195 G HA2 -0.334 3.626 3.960 0.000 0.000 0.261 195 G HA3 -0.334 3.626 3.960 0.000 0.000 0.261 195 G C 0.839 175.808 174.900 0.114 0.000 0.980 195 G CA 0.603 45.778 45.100 0.124 0.000 0.632 195 G HN 0.838 nan 8.290 nan 0.000 0.533 196 A N -0.867 122.045 122.820 0.154 0.000 2.262 196 A HA 0.655 4.975 4.320 0.000 0.000 0.275 196 A C 0.557 178.131 177.584 -0.018 0.000 1.402 196 A CA 0.966 53.007 52.037 0.006 0.000 0.817 196 A CB 0.379 19.304 19.000 -0.125 0.000 1.271 196 A HN 1.217 nan 8.150 nan 0.000 0.520 197 V N 0.393 120.260 119.914 -0.078 0.000 2.398 197 V HA 0.304 4.424 4.120 0.000 0.000 0.282 197 V C -0.444 175.609 176.094 -0.069 0.000 1.014 197 V CA -0.473 61.794 62.300 -0.055 0.000 0.838 197 V CB 0.906 32.694 31.823 -0.060 0.000 1.018 197 V HN 0.577 nan 8.190 nan 0.000 0.432 198 V N 5.629 125.522 119.914 -0.036 0.000 2.649 198 V HA 0.484 4.604 4.120 0.000 0.000 0.292 198 V C 0.052 176.121 176.094 -0.042 0.000 1.055 198 V CA -0.192 62.086 62.300 -0.036 0.000 1.023 198 V CB 1.484 33.307 31.823 -0.001 0.000 0.992 198 V HN 0.827 nan 8.190 nan 0.000 0.480 199 M N 4.278 123.837 119.600 -0.069 0.000 2.149 199 M HA 0.686 5.166 4.480 0.000 0.000 0.273 199 M C -0.526 175.697 176.300 -0.128 0.000 0.972 199 M CA 0.015 55.260 55.300 -0.092 0.000 0.984 199 M CB 1.610 34.132 32.600 -0.129 0.000 1.699 199 M HN 0.787 nan 8.290 nan 0.000 0.462 200 A N 2.249 125.028 122.820 -0.068 0.000 2.337 200 A HA 0.965 5.285 4.320 0.000 0.000 0.331 200 A C -0.606 176.902 177.584 -0.127 0.000 1.137 200 A CA -0.566 51.437 52.037 -0.058 0.000 0.807 200 A CB 1.552 20.607 19.000 0.090 0.000 1.250 200 A HN 0.650 nan 8.150 nan 0.000 0.468 201 T N 0.083 114.531 114.554 -0.178 0.000 2.916 201 T HA 0.597 4.947 4.350 0.000 0.000 0.305 201 T C -1.841 172.881 174.700 0.036 0.000 1.119 201 T CA -0.429 61.508 62.100 -0.271 0.000 1.008 201 T CB 1.509 70.133 68.868 -0.406 0.000 1.129 201 T HN 0.852 nan 8.240 nan 0.000 0.480 202 D N 1.765 122.259 120.400 0.158 0.000 2.665 202 D HA 0.358 4.998 4.640 0.000 0.000 0.287 202 D C 0.542 176.983 176.300 0.236 0.000 1.266 202 D CA -0.386 53.758 54.000 0.240 0.000 0.830 202 D CB 1.951 42.932 40.800 0.302 0.000 1.356 202 D HN 0.332 nan 8.370 nan 0.000 0.437 203 V N 0.848 120.869 119.914 0.177 0.000 2.341 203 V HA 0.120 4.240 4.120 0.000 0.000 0.240 203 V C 0.988 177.170 176.094 0.146 0.000 1.035 203 V CA 0.641 63.025 62.300 0.140 0.000 1.033 203 V CB -0.343 31.532 31.823 0.087 0.000 0.678 203 V HN 0.469 nan 8.190 nan 0.000 0.464 204 R N 1.099 121.663 120.500 0.108 0.000 3.588 204 R HA -0.078 4.262 4.340 0.000 0.000 0.321 204 R C 1.528 177.867 176.300 0.065 0.000 0.664 204 R CA 0.406 56.542 56.100 0.060 0.000 1.038 204 R CB -0.357 29.961 30.300 0.030 0.000 0.907 204 R HN 0.534 nan 8.270 nan 0.000 0.358 205 A N 3.768 126.621 122.820 0.056 0.000 1.948 205 A HA -0.286 4.034 4.320 0.000 0.000 0.220 205 A C 2.327 179.862 177.584 -0.082 0.000 1.177 205 A CA 1.917 53.987 52.037 0.055 0.000 0.636 205 A CB -0.382 18.635 19.000 0.028 0.000 0.815 205 A HN 0.828 nan 8.150 nan 0.000 0.449 206 A N -1.297 121.479 122.820 -0.073 0.000 1.958 206 A HA -0.206 4.114 4.320 0.000 0.000 0.221 206 A C 2.272 179.747 177.584 -0.182 0.000 1.178 206 A CA 2.509 54.485 52.037 -0.102 0.000 0.642 206 A CB -1.440 17.523 19.000 -0.062 0.000 0.816 206 A HN 0.444 nan 8.150 nan 0.000 0.453 207 T N -0.725 113.697 114.554 -0.221 0.000 2.737 207 T HA -0.186 4.164 4.350 0.000 0.000 0.269 207 T C 1.931 176.251 174.700 -0.634 0.000 1.040 207 T CA 1.726 63.635 62.100 -0.319 0.000 1.142 207 T CB -0.237 68.517 68.868 -0.191 0.000 0.861 207 T HN 0.633 nan 8.240 nan 0.000 0.456 208 K N 0.636 120.394 120.400 -1.070 0.000 2.089 208 K HA -0.261 4.059 4.320 0.000 0.000 0.210 208 K C 2.168 178.499 176.600 -0.449 0.000 1.048 208 K CA 2.020 57.618 56.287 -1.147 0.000 0.926 208 K CB -0.140 31.941 32.500 -0.698 0.000 0.714 208 K HN 0.295 nan 8.250 nan 0.000 0.448 209 E N 0.943 120.968 120.200 -0.293 0.000 2.026 209 E HA -0.265 4.085 4.350 0.000 0.000 0.206 209 E C 2.082 178.601 176.600 -0.134 0.000 1.028 209 E CA 2.495 58.799 56.400 -0.159 0.000 0.845 209 E CB -0.207 29.423 29.700 -0.118 0.000 0.772 209 E HN 0.417 nan 8.360 nan 0.000 0.462 210 Q N 0.005 119.724 119.800 -0.135 0.000 2.014 210 Q HA -0.188 4.152 4.340 0.000 0.000 0.207 210 Q C 2.399 178.353 176.000 -0.077 0.000 0.993 210 Q CA 2.019 57.769 55.803 -0.089 0.000 0.850 210 Q CB -0.806 27.886 28.738 -0.077 0.000 0.916 210 Q HN 0.274 nan 8.270 nan 0.000 0.417 211 V N 1.601 121.449 119.914 -0.110 0.000 2.357 211 V HA -0.296 3.824 4.120 0.000 0.000 0.257 211 V C 2.303 178.389 176.094 -0.014 0.000 1.082 211 V CA 2.384 64.657 62.300 -0.044 0.000 1.078 211 V CB -0.702 31.106 31.823 -0.025 0.000 0.663 211 V HN 0.386 nan 8.190 nan 0.000 0.455 212 E N 0.411 120.589 120.200 -0.036 0.000 2.190 212 E HA -0.085 4.265 4.350 0.000 0.000 0.191 212 E C 2.265 178.859 176.600 -0.010 0.000 0.978 212 E CA 1.067 57.461 56.400 -0.010 0.000 0.839 212 E CB -0.356 29.338 29.700 -0.010 0.000 0.787 212 E HN 0.695 nan 8.360 nan 0.000 0.473 213 S N -0.101 115.586 115.700 -0.022 0.000 2.462 213 S HA -0.133 4.337 4.470 0.000 0.000 0.243 213 S C 1.530 176.128 174.600 -0.004 0.000 1.003 213 S CA 0.987 59.178 58.200 -0.014 0.000 0.970 213 S CB -0.381 62.806 63.200 -0.021 0.000 0.762 213 S HN 0.354 nan 8.310 nan 0.000 0.510 214 L N 0.551 121.774 121.223 0.000 0.000 2.700 214 L HA 0.404 4.744 4.340 0.000 0.000 0.234 214 L C 1.716 178.597 176.870 0.017 0.000 1.156 214 L CA 0.213 55.060 54.840 0.011 0.000 0.946 214 L CB -0.198 41.870 42.059 0.015 0.000 1.216 214 L HN 0.546 nan 8.230 nan 0.000 0.493 215 G N 0.040 108.849 108.800 0.014 0.000 2.179 215 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 215 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 215 G C 0.472 175.385 174.900 0.021 0.000 0.977 215 G CA -0.092 45.018 45.100 0.018 0.000 0.641 215 G HN 0.513 nan 8.290 nan 0.000 0.533 216 G N -0.142 108.673 108.800 0.025 0.000 2.371 216 G HA2 0.640 4.600 3.960 0.000 0.000 0.326 216 G HA3 0.640 4.600 3.960 0.000 0.000 0.326 216 G C -0.253 174.678 174.900 0.051 0.000 1.127 216 G CA -0.658 44.461 45.100 0.032 0.000 0.885 216 G HN 0.317 nan 8.290 nan 0.000 0.477 217 K N 1.586 122.013 120.400 0.046 0.000 2.276 217 K HA 0.348 4.668 4.320 0.000 0.000 0.283 217 K C -0.425 176.248 176.600 0.121 0.000 1.044 217 K CA -0.372 55.954 56.287 0.065 0.000 0.944 217 K CB 1.183 33.696 32.500 0.021 0.000 1.012 217 K HN 0.441 nan 8.250 nan 0.000 0.472 218 F N 2.461 122.391 119.950 -0.033 0.000 2.375 218 F HA 0.238 4.765 4.527 -0.000 0.000 0.313 218 F C 0.482 176.258 175.800 -0.040 0.000 1.176 218 F CA -0.697 57.281 58.000 -0.036 0.000 1.142 218 F CB 0.676 39.666 39.000 -0.017 0.000 1.275 218 F HN 0.348 nan 8.300 nan 0.000 0.544 219 I N 2.904 122.978 120.570 -0.826 0.000 3.531 219 I HA 0.009 4.179 4.170 0.000 0.000 0.341 219 I C 1.455 177.252 176.117 -0.532 0.000 1.550 219 I CA 0.281 61.249 61.300 -0.553 0.000 1.087 219 I CB -1.113 36.607 38.000 -0.466 0.000 1.408 219 I HN 0.702 nan 8.210 nan 0.000 0.484 220 T N 1.134 115.434 114.554 -0.423 0.000 2.821 220 T HA -0.042 4.308 4.350 0.000 0.000 0.267 220 T C 1.461 176.140 174.700 -0.035 0.000 1.046 220 T CA 1.038 63.094 62.100 -0.073 0.000 1.139 220 T CB -0.124 68.878 68.868 0.224 0.000 0.871 220 T HN 0.283 nan 8.240 nan 0.000 0.454 242 E N 0.314 120.569 120.200 0.092 0.000 2.187 242 E HA -0.175 4.175 4.350 0.000 0.000 0.199 242 E C 1.088 177.749 176.600 0.103 0.000 1.004 242 E CA 1.493 57.941 56.400 0.080 0.000 0.813 242 E CB -0.154 29.590 29.700 0.074 0.000 0.736 242 E HN 0.431 nan 8.360 nan 0.000 0.468 243 F N 1.427 121.378 119.950 0.003 0.000 2.118 243 F HA -0.057 4.470 4.527 -0.000 0.000 0.293 243 F C 2.352 178.152 175.800 -0.000 0.000 1.102 243 F CA 1.111 59.112 58.000 0.002 0.000 1.247 243 F CB -0.130 38.873 39.000 0.006 0.000 1.017 243 F HN -0.172 nan 8.300 nan 0.000 0.475 244 R N 0.332 121.033 120.500 0.336 0.000 2.204 244 R HA -0.218 4.122 4.340 0.000 0.000 0.253 244 R C 2.178 178.497 176.300 0.031 0.000 1.172 244 R CA 1.326 57.547 56.100 0.202 0.000 0.994 244 R CB -0.477 29.912 30.300 0.149 0.000 0.874 244 R HN 0.226 nan 8.270 nan 0.000 0.462 245 K N 1.185 121.578 120.400 -0.012 0.000 2.076 245 K HA -0.051 4.269 4.320 0.000 0.000 0.204 245 K C 1.379 177.913 176.600 -0.110 0.000 1.051 245 K CA 1.243 57.503 56.287 -0.046 0.000 0.949 245 K CB 0.141 32.624 32.500 -0.029 0.000 0.726 245 K HN 0.089 nan 8.250 nan 0.000 0.443 246 K N 0.269 120.547 120.400 -0.203 0.000 2.458 246 K HA -0.035 4.285 4.320 0.000 0.000 0.194 246 K C 1.481 177.878 176.600 -0.338 0.000 1.024 246 K CA 0.144 56.277 56.287 -0.256 0.000 1.108 246 K CB 0.487 32.818 32.500 -0.282 0.000 0.846 246 K HN 0.024 nan 8.250 nan 0.000 0.518 247 Q N 0.193 119.802 119.800 -0.318 0.000 2.499 247 Q HA 0.179 4.519 4.340 0.000 0.000 0.213 247 Q C 1.669 177.601 176.000 -0.115 0.000 0.929 247 Q CA 0.789 56.442 55.803 -0.250 0.000 0.904 247 Q CB 0.121 28.774 28.738 -0.142 0.000 1.052 247 Q HN 0.213 nan 8.270 nan 0.000 0.589 248 A N 0.316 123.099 122.820 -0.061 0.000 2.216 248 A HA -0.103 4.217 4.320 0.000 0.000 0.214 248 A C 1.722 179.283 177.584 -0.038 0.000 1.160 248 A CA 1.528 53.553 52.037 -0.019 0.000 0.725 248 A CB -0.439 18.564 19.000 0.006 0.000 0.784 248 A HN 0.438 nan 8.150 nan 0.000 0.472 249 E N 0.376 120.533 120.200 -0.072 0.000 2.060 249 E HA 0.082 4.432 4.350 0.000 0.000 0.189 249 E C 1.972 178.529 176.600 -0.071 0.000 0.974 249 E CA 1.366 57.724 56.400 -0.070 0.000 0.808 249 E CB -0.468 29.178 29.700 -0.091 0.000 0.768 249 E HN 0.358 nan 8.360 nan 0.000 0.453 250 A N 0.629 123.392 122.820 -0.096 0.000 1.877 250 A HA -0.133 4.187 4.320 0.000 0.000 0.216 250 A C 2.469 180.004 177.584 -0.083 0.000 1.186 250 A CA 1.812 53.791 52.037 -0.097 0.000 0.620 250 A CB -1.032 17.892 19.000 -0.126 0.000 0.822 250 A HN 0.190 nan 8.150 nan 0.000 0.443 251 V N 0.585 120.454 119.914 -0.076 0.000 2.220 251 V HA -0.350 3.771 4.120 0.000 0.000 0.250 251 V C 2.595 178.678 176.094 -0.018 0.000 1.056 251 V CA 2.248 64.517 62.300 -0.051 0.000 1.016 251 V CB -1.247 30.584 31.823 0.014 0.000 0.639 251 V HN 0.729 nan 8.190 nan 0.000 0.446 252 L N 0.146 121.367 121.223 -0.004 0.000 2.357 252 L HA -0.251 4.089 4.340 0.000 0.000 0.220 252 L C 2.351 179.211 176.870 -0.017 0.000 1.123 252 L CA 2.301 57.139 54.840 -0.002 0.000 0.782 252 L CB -0.367 41.686 42.059 -0.010 0.000 0.910 252 L HN 0.314 nan 8.230 nan 0.000 0.442 253 K N 0.166 120.546 120.400 -0.033 0.000 2.031 253 K HA -0.122 4.198 4.320 0.000 0.000 0.205 253 K C 2.015 178.592 176.600 -0.039 0.000 1.049 253 K CA 1.588 57.853 56.287 -0.037 0.000 0.939 253 K CB -0.169 32.303 32.500 -0.047 0.000 0.717 253 K HN 0.332 nan 8.250 nan 0.000 0.438 254 E N 0.143 120.311 120.200 -0.053 0.000 2.158 254 E HA -0.084 4.266 4.350 0.000 0.000 0.191 254 E C 1.784 178.357 176.600 -0.045 0.000 0.982 254 E CA 0.588 56.951 56.400 -0.062 0.000 0.823 254 E CB -0.162 29.479 29.700 -0.098 0.000 0.766 254 E HN 0.229 nan 8.360 nan 0.000 0.468 255 L N 0.921 122.133 121.223 -0.019 0.000 2.376 255 L HA -0.088 4.252 4.340 0.000 0.000 0.219 255 L C 2.041 178.915 176.870 0.007 0.000 1.133 255 L CA 0.886 55.737 54.840 0.018 0.000 0.816 255 L CB -0.155 41.956 42.059 0.086 0.000 0.933 255 L HN -0.032 nan 8.230 nan 0.000 0.449 256 V N -2.562 117.349 119.914 -0.005 0.000 3.461 256 V HA -0.032 4.088 4.120 0.000 0.000 0.267 256 V C 1.629 177.719 176.094 -0.006 0.000 1.186 256 V CA 1.339 63.636 62.300 -0.005 0.000 1.154 256 V CB -1.248 30.570 31.823 -0.008 0.000 0.802 256 V HN 0.677 nan 8.190 nan 0.000 0.474 257 K N 0.256 120.647 120.400 -0.015 0.000 2.438 257 K HA 0.250 4.570 4.320 0.000 0.000 0.206 257 K C 0.323 176.904 176.600 -0.031 0.000 1.081 257 K CA 0.067 56.343 56.287 -0.018 0.000 1.053 257 K CB 0.189 32.675 32.500 -0.022 0.000 0.908 257 K HN 0.448 nan 8.250 nan 0.000 0.556 258 T N 0.876 115.407 114.554 -0.039 0.000 2.868 258 T HA 0.148 4.498 4.350 0.000 0.000 0.292 258 T C -0.101 174.551 174.700 -0.079 0.000 1.028 258 T CA -0.235 61.822 62.100 -0.072 0.000 1.059 258 T CB 1.306 70.136 68.868 -0.062 0.000 0.991 258 T HN 0.035 nan 8.240 nan 0.000 0.531 259 D N -0.392 119.906 120.400 -0.171 0.000 2.473 259 D HA 0.289 4.929 4.640 0.000 0.000 0.230 259 D C -0.020 176.054 176.300 -0.376 0.000 1.097 259 D CA 0.085 53.938 54.000 -0.244 0.000 0.861 259 D CB 0.498 41.086 40.800 -0.354 0.000 1.114 259 D HN 0.462 nan 8.370 nan 0.000 0.500 260 I N 1.064 121.437 120.570 -0.328 0.000 2.563 260 I HA 0.508 4.678 4.170 0.000 0.000 0.285 260 I C -1.213 174.847 176.117 -0.095 0.000 1.123 260 I CA -0.987 60.172 61.300 -0.235 0.000 1.059 260 I CB 2.064 39.890 38.000 -0.290 0.000 1.229 260 I HN -0.152 nan 8.210 nan 0.000 0.442 261 A N 7.808 130.626 122.820 -0.003 0.000 2.317 261 A HA 0.909 5.229 4.320 0.000 0.000 0.327 261 A C -0.689 176.967 177.584 0.120 0.000 1.178 261 A CA -0.423 51.687 52.037 0.121 0.000 0.817 261 A CB 0.879 20.019 19.000 0.234 0.000 1.189 261 A HN 0.679 nan 8.150 nan 0.000 0.489 262 I N 2.289 122.964 120.570 0.175 0.000 2.447 262 I HA 0.372 4.542 4.170 0.000 0.000 0.287 262 I C 0.269 176.514 176.117 0.213 0.000 1.023 262 I CA -0.448 60.928 61.300 0.127 0.000 1.083 262 I CB 2.440 40.486 38.000 0.077 0.000 1.245 262 I HN 0.733 nan 8.210 nan 0.000 0.434 263 T N 0.229 114.858 114.554 0.124 0.000 2.867 263 T HA 0.489 4.839 4.350 0.000 0.000 0.282 263 T C 0.199 174.948 174.700 0.082 0.000 1.000 263 T CA -0.404 61.764 62.100 0.113 0.000 1.042 263 T CB 1.930 70.770 68.868 -0.047 0.000 0.973 263 T HN 0.590 nan 8.240 nan 0.000 0.465 264 T N 0.822 115.436 114.554 0.100 0.000 3.130 264 T HA 0.406 4.756 4.350 0.000 0.000 0.288 264 T C 0.811 175.551 174.700 0.066 0.000 0.936 264 T CA 0.018 62.163 62.100 0.074 0.000 0.897 264 T CB 0.170 69.087 68.868 0.080 0.000 1.178 264 T HN 1.018 nan 8.240 nan 0.000 0.543 265 A N 1.887 124.749 122.820 0.071 0.000 2.500 265 A HA 0.445 4.765 4.320 0.000 0.000 0.285 265 A C -0.147 177.461 177.584 0.040 0.000 1.183 265 A CA 0.310 52.383 52.037 0.060 0.000 0.851 265 A CB -0.567 18.471 19.000 0.063 0.000 1.091 265 A HN 0.351 nan 8.150 nan 0.000 0.521 266 L N 5.515 126.763 121.223 0.041 0.000 2.457 266 L HA 0.388 4.728 4.340 0.000 0.000 0.252 266 L C -0.034 176.857 176.870 0.034 0.000 1.132 266 L CA -0.343 54.518 54.840 0.035 0.000 0.938 266 L CB 0.708 42.789 42.059 0.037 0.000 1.246 266 L HN 0.660 nan 8.230 nan 0.000 0.476 267 I N 1.455 122.043 120.570 0.030 0.000 2.416 267 I HA 0.479 4.649 4.170 0.000 0.000 0.288 267 I C -2.133 174.001 176.117 0.027 0.000 1.051 267 I CA -1.725 59.592 61.300 0.028 0.000 1.375 267 I CB 0.384 38.399 38.000 0.025 0.000 1.407 267 I HN 0.323 nan 8.210 nan 0.000 0.516 268 P HA 0.190 nan 4.420 nan 0.000 0.272 268 P C 0.951 178.265 177.300 0.024 0.000 1.240 268 P CA 0.733 63.850 63.100 0.028 0.000 0.791 268 P CB 0.893 32.608 31.700 0.026 0.000 0.978 269 G N 0.828 109.642 108.800 0.024 0.000 4.862 269 G HA2 -0.321 3.639 3.960 0.000 0.000 0.344 269 G HA3 -0.321 3.639 3.960 0.000 0.000 0.344 269 G C -0.173 174.738 174.900 0.019 0.000 1.365 269 G CA 0.612 45.724 45.100 0.020 0.000 1.066 269 G HN 0.578 nan 8.290 nan 0.000 0.808 270 K N 3.842 124.253 120.400 0.018 0.000 2.489 270 K HA 0.386 4.706 4.320 0.000 0.000 0.278 270 K C -1.681 174.929 176.600 0.016 0.000 1.000 270 K CA -0.665 55.631 56.287 0.016 0.000 1.012 270 K CB 0.615 33.124 32.500 0.015 0.000 0.903 270 K HN 0.420 nan 8.250 nan 0.000 0.485 271 P HA 0.047 nan 4.420 nan 0.000 0.274 271 P C -0.870 176.436 177.300 0.010 0.000 1.246 271 P CA -0.537 62.571 63.100 0.012 0.000 0.795 271 P CB 0.644 32.349 31.700 0.009 0.000 1.006 272 A N 3.507 126.333 122.820 0.009 0.000 2.589 272 A HA 0.012 4.332 4.320 0.000 0.000 0.259 272 A C -1.502 176.082 177.584 -0.001 0.000 1.000 272 A CA -0.405 51.635 52.037 0.005 0.000 0.847 272 A CB -1.552 17.448 19.000 -0.001 0.000 0.885 272 A HN 0.407 nan 8.150 nan 0.000 0.508 273 P HA 0.183 nan 4.420 nan 0.000 0.268 273 P C -0.051 177.241 177.300 -0.014 0.000 1.541 273 P CA -0.098 63.003 63.100 0.002 0.000 1.093 273 P CB 0.121 31.831 31.700 0.016 0.000 1.551 274 V N 4.744 124.642 119.914 -0.026 0.000 2.889 274 V HA -0.203 3.917 4.120 0.000 0.000 0.293 274 V C 1.867 177.921 176.094 -0.067 0.000 1.273 274 V CA 1.302 63.572 62.300 -0.051 0.000 1.365 274 V CB -0.464 31.334 31.823 -0.042 0.000 0.837 274 V HN 0.515 nan 8.190 nan 0.000 0.492 275 L N 5.137 126.279 121.223 -0.134 0.000 2.948 275 L HA 0.456 4.796 4.340 0.000 0.000 0.259 275 L C 0.317 176.999 176.870 -0.313 0.000 1.136 275 L CA 0.279 55.004 54.840 -0.191 0.000 0.959 275 L CB 0.540 42.450 42.059 -0.248 0.000 1.370 275 L HN 0.480 nan 8.230 nan 0.000 0.552 276 I N 0.706 121.097 120.570 -0.298 0.000 2.542 276 I HA 0.155 4.325 4.170 0.000 0.000 0.278 276 I C 0.068 176.089 176.117 -0.160 0.000 1.069 276 I CA -0.348 60.789 61.300 -0.273 0.000 1.100 276 I CB 1.699 39.479 38.000 -0.367 0.000 1.204 276 I HN 0.043 nan 8.210 nan 0.000 0.470 277 T N 0.025 114.510 114.554 -0.115 0.000 2.813 277 T HA 0.083 4.433 4.350 0.000 0.000 0.297 277 T C 1.096 175.735 174.700 -0.101 0.000 1.036 277 T CA -0.403 61.644 62.100 -0.087 0.000 1.044 277 T CB 1.676 70.506 68.868 -0.063 0.000 0.993 277 T HN 0.701 nan 8.240 nan 0.000 0.535 278 E N 0.120 120.265 120.200 -0.091 0.000 2.267 278 E HA -0.222 4.128 4.350 0.000 0.000 0.197 278 E C 1.841 178.328 176.600 -0.188 0.000 0.998 278 E CA 1.201 57.521 56.400 -0.134 0.000 0.830 278 E CB -0.027 29.629 29.700 -0.074 0.000 0.751 278 E HN 0.856 nan 8.360 nan 0.000 0.491 279 E N 0.049 120.177 120.200 -0.119 0.000 2.017 279 E HA -0.228 4.122 4.350 0.000 0.000 0.193 279 E C 2.092 178.619 176.600 -0.121 0.000 0.997 279 E CA 1.839 58.176 56.400 -0.106 0.000 0.804 279 E CB -0.040 29.623 29.700 -0.062 0.000 0.757 279 E HN 0.364 nan 8.360 nan 0.000 0.448 280 M N 0.044 119.584 119.600 -0.100 0.000 2.080 280 M HA -0.169 4.311 4.480 0.000 0.000 0.260 280 M C 2.450 178.686 176.300 -0.106 0.000 1.068 280 M CA 1.051 56.302 55.300 -0.081 0.000 1.109 280 M CB -0.443 32.121 32.600 -0.060 0.000 1.342 280 M HN 0.085 nan 8.290 nan 0.000 0.405 281 V N 1.106 120.929 119.914 -0.152 0.000 2.660 281 V HA -0.272 3.848 4.120 0.000 0.000 0.257 281 V C 2.482 178.450 176.094 -0.210 0.000 1.088 281 V CA 2.615 64.816 62.300 -0.165 0.000 1.106 281 V CB -0.781 30.922 31.823 -0.200 0.000 0.686 281 V HN 0.772 nan 8.190 nan 0.000 0.481 282 T N -3.345 111.039 114.554 -0.284 0.000 3.023 282 T HA -0.073 4.277 4.350 0.000 0.000 0.266 282 T C 1.634 176.302 174.700 -0.052 0.000 1.093 282 T CA 1.004 62.986 62.100 -0.196 0.000 1.129 282 T CB -0.286 68.474 68.868 -0.180 0.000 0.899 282 T HN 0.556 nan 8.240 nan 0.000 0.491 283 K N 0.225 120.592 120.400 -0.055 0.000 2.404 283 K HA 0.341 4.661 4.320 0.000 0.000 0.194 283 K C 0.574 177.169 176.600 -0.009 0.000 1.023 283 K CA -0.125 56.149 56.287 -0.022 0.000 1.094 283 K CB 0.083 32.568 32.500 -0.024 0.000 0.841 283 K HN 0.432 nan 8.250 nan 0.000 0.523 284 M N 1.914 121.509 119.600 -0.007 0.000 2.202 284 M HA 0.085 4.565 4.480 0.000 0.000 0.316 284 M C 0.287 176.601 176.300 0.023 0.000 1.138 284 M CA -0.020 55.285 55.300 0.008 0.000 1.151 284 M CB 0.668 33.274 32.600 0.010 0.000 1.422 284 M HN -0.047 nan 8.290 nan 0.000 0.471 285 K N 1.036 121.453 120.400 0.028 0.000 2.205 285 K HA 0.492 4.812 4.320 0.000 0.000 0.279 285 K C -2.838 173.795 176.600 0.055 0.000 1.027 285 K CA -1.830 54.480 56.287 0.037 0.000 0.932 285 K CB 0.068 32.589 32.500 0.035 0.000 1.032 285 K HN 0.185 nan 8.250 nan 0.000 0.466 286 P HA -0.065 nan 4.420 nan 0.000 0.265 286 P C 0.600 177.945 177.300 0.075 0.000 1.187 286 P CA 1.185 64.320 63.100 0.060 0.000 0.766 286 P CB 0.462 32.188 31.700 0.043 0.000 0.820 287 G N 1.002 109.854 108.800 0.088 0.000 2.175 287 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 287 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 287 G C 0.649 175.686 174.900 0.230 0.000 0.982 287 G CA 0.167 45.336 45.100 0.115 0.000 0.641 287 G HN 0.563 nan 8.290 nan 0.000 0.527 288 S N -1.477 114.331 115.700 0.181 0.000 2.602 288 S HA 0.708 5.178 4.470 0.000 0.000 0.257 288 S C 0.170 174.846 174.600 0.126 0.000 1.250 288 S CA 0.501 58.794 58.200 0.155 0.000 0.986 288 S CB 1.773 65.013 63.200 0.067 0.000 1.040 288 S HN 1.514 nan 8.310 nan 0.000 0.562 289 V N 0.583 120.521 119.914 0.040 0.000 2.966 289 V HA 0.453 4.573 4.120 0.000 0.000 0.288 289 V C -2.107 173.988 176.094 0.002 0.000 1.380 289 V CA -0.592 61.731 62.300 0.039 0.000 0.966 289 V CB 1.413 33.276 31.823 0.066 0.000 1.115 289 V HN 0.730 nan 8.190 nan 0.000 0.436 290 I N 6.996 127.572 120.570 0.009 0.000 2.389 290 I HA 0.488 4.658 4.170 0.000 0.000 0.288 290 I C -0.788 175.320 176.117 -0.015 0.000 0.999 290 I CA -0.711 60.586 61.300 -0.005 0.000 1.129 290 I CB 1.867 39.857 38.000 -0.018 0.000 1.288 290 I HN 0.373 nan 8.210 nan 0.000 0.444 291 I N 5.112 125.671 120.570 -0.018 0.000 2.307 291 I HA 0.201 4.371 4.170 0.000 0.000 0.287 291 I C -0.119 175.982 176.117 -0.027 0.000 1.054 291 I CA -0.196 61.078 61.300 -0.043 0.000 1.218 291 I CB 0.614 38.585 38.000 -0.048 0.000 1.398 291 I HN 0.488 nan 8.210 nan 0.000 0.475 292 D N 6.855 127.235 120.400 -0.033 0.000 2.396 292 D HA 0.254 4.894 4.640 0.000 0.000 0.225 292 D C 0.946 177.238 176.300 -0.012 0.000 1.121 292 D CA -0.247 53.738 54.000 -0.025 0.000 0.853 292 D CB 1.151 41.933 40.800 -0.029 0.000 1.043 292 D HN 0.388 nan 8.370 nan 0.000 0.500 293 L N 2.453 123.676 121.223 -0.001 0.000 2.492 293 L HA 0.111 4.451 4.340 0.000 0.000 0.223 293 L C 1.966 178.845 176.870 0.015 0.000 1.132 293 L CA 0.252 55.098 54.840 0.010 0.000 0.850 293 L CB -0.040 42.030 42.059 0.019 0.000 0.966 293 L HN 0.368 nan 8.230 nan 0.000 0.454 294 A N -0.392 122.433 122.820 0.009 0.000 2.251 294 A HA -0.014 4.306 4.320 0.000 0.000 0.209 294 A C 2.237 179.825 177.584 0.007 0.000 1.187 294 A CA 0.410 52.453 52.037 0.009 0.000 0.823 294 A CB -0.323 18.677 19.000 0.001 0.000 0.846 294 A HN 0.142 nan 8.150 nan 0.000 0.486 295 V N 0.606 120.525 119.914 0.008 0.000 2.277 295 V HA -0.361 3.759 4.120 0.000 0.000 0.253 295 V C 2.252 178.354 176.094 0.014 0.000 1.067 295 V CA 2.909 65.216 62.300 0.011 0.000 1.047 295 V CB -0.464 31.372 31.823 0.022 0.000 0.649 295 V HN 0.738 nan 8.190 nan 0.000 0.447 296 E N 0.092 120.301 120.200 0.016 0.000 2.110 296 E HA -0.081 4.269 4.350 0.000 0.000 0.193 296 E C 1.476 178.083 176.600 0.012 0.000 0.988 296 E CA 1.284 57.692 56.400 0.013 0.000 0.804 296 E CB -0.230 29.476 29.700 0.011 0.000 0.745 296 E HN 0.661 nan 8.360 nan 0.000 0.458 297 A N 0.046 122.874 122.820 0.013 0.000 3.106 297 A HA 0.542 4.862 4.320 0.000 0.000 0.306 297 A C 0.679 178.269 177.584 0.011 0.000 1.192 297 A CA 0.394 52.440 52.037 0.015 0.000 0.994 297 A CB 0.157 19.169 19.000 0.021 0.000 1.107 297 A HN 0.274 nan 8.150 nan 0.000 0.585 298 G N -0.464 108.340 108.800 0.007 0.000 2.472 298 G HA2 0.419 4.379 3.960 0.000 0.000 0.217 298 G HA3 0.419 4.379 3.960 0.000 0.000 0.217 298 G C 0.936 175.834 174.900 -0.003 0.000 2.125 298 G CA 0.518 45.620 45.100 0.002 0.000 1.637 298 G HN 2.502 nan 8.290 nan 0.000 0.548 299 G N -0.165 108.630 108.800 -0.008 0.000 3.435 299 G HA2 0.128 4.088 3.960 0.000 0.000 0.683 299 G HA3 0.128 4.088 3.960 0.000 0.000 0.683 299 G C 0.119 174.997 174.900 -0.038 0.000 1.189 299 G CA 0.648 45.737 45.100 -0.018 0.000 1.069 299 G HN 1.065 nan 8.290 nan 0.000 0.508 300 N N -0.540 118.128 118.700 -0.054 0.000 2.585 300 N HA 0.009 4.749 4.740 0.000 0.000 0.188 300 N C 0.634 176.066 175.510 -0.130 0.000 1.102 300 N CA 1.202 54.197 53.050 -0.091 0.000 0.920 300 N CB 0.249 38.667 38.487 -0.115 0.000 0.963 300 N HN 0.602 nan 8.380 nan 0.000 0.447 301 C N 1.031 120.271 119.300 -0.101 0.000 2.571 301 C HA 0.268 4.728 4.460 0.000 0.000 0.343 301 C C -1.487 173.471 174.990 -0.054 0.000 1.082 301 C CA -2.036 56.923 59.018 -0.098 0.000 1.339 301 C CB 1.126 28.798 27.740 -0.113 0.000 1.893 301 C HN 0.186 nan 8.230 nan 0.000 0.445 302 P HA -0.224 nan 4.420 nan 0.000 0.219 302 P C 1.409 178.704 177.300 -0.007 0.000 1.161 302 P CA 1.815 64.902 63.100 -0.021 0.000 0.909 302 P CB 0.077 31.766 31.700 -0.019 0.000 0.793 303 L N 0.155 121.377 121.223 -0.003 0.000 2.351 303 L HA -0.123 4.217 4.340 0.000 0.000 0.220 303 L C 1.660 178.541 176.870 0.018 0.000 1.127 303 L CA 1.236 56.087 54.840 0.018 0.000 0.786 303 L CB -1.588 40.493 42.059 0.037 0.000 0.914 303 L HN 0.095 nan 8.230 nan 0.000 0.443 304 S N -0.198 115.506 115.700 0.006 0.000 2.580 304 S HA 0.379 4.849 4.470 0.000 0.000 0.274 304 S C -0.048 174.563 174.600 0.018 0.000 1.329 304 S CA -0.676 57.532 58.200 0.014 0.000 1.036 304 S CB 0.904 64.106 63.200 0.003 0.000 0.919 304 S HN 0.287 nan 8.310 nan 0.000 0.515 305 E N 1.748 121.964 120.200 0.028 0.000 2.260 305 E HA 0.327 4.677 4.350 0.000 0.000 0.266 305 E C -2.933 173.686 176.600 0.032 0.000 0.887 305 E CA -2.436 53.979 56.400 0.025 0.000 0.777 305 E CB 1.644 31.358 29.700 0.024 0.000 1.205 305 E HN 0.386 nan 8.360 nan 0.000 0.414 306 P HA -0.147 nan 4.420 nan 0.000 0.255 306 P C 0.526 177.842 177.300 0.027 0.000 1.141 306 P CA 1.419 64.535 63.100 0.027 0.000 0.767 306 P CB 0.101 31.810 31.700 0.016 0.000 0.726 307 G N 1.893 110.717 108.800 0.039 0.000 2.295 307 G HA2 -0.275 3.685 3.960 0.000 0.000 0.287 307 G HA3 -0.275 3.685 3.960 0.000 0.000 0.287 307 G C -0.116 174.792 174.900 0.012 0.000 1.055 307 G CA 0.413 45.521 45.100 0.014 0.000 0.922 307 G HN 0.745 nan 8.290 nan 0.000 0.503 308 K N -0.566 119.870 120.400 0.061 0.000 2.583 308 K HA 0.443 4.763 4.320 0.000 0.000 0.260 308 K C -0.500 176.160 176.600 0.099 0.000 0.931 308 K CA -1.101 55.221 56.287 0.057 0.000 0.849 308 K CB 1.105 33.625 32.500 0.033 0.000 1.347 308 K HN 0.123 nan 8.250 nan 0.000 0.425 309 I N 4.640 125.274 120.570 0.106 0.000 2.301 309 I HA 0.188 4.358 4.170 0.000 0.000 0.292 309 I C 0.244 176.405 176.117 0.074 0.000 1.046 309 I CA -0.897 60.471 61.300 0.114 0.000 1.282 309 I CB 1.249 39.335 38.000 0.142 0.000 1.409 309 I HN 0.299 nan 8.210 nan 0.000 0.484 310 V N 7.152 127.104 119.914 0.063 0.000 2.547 310 V HA 0.607 4.727 4.120 0.000 0.000 0.299 310 V C -0.708 175.417 176.094 0.051 0.000 1.040 310 V CA -0.452 61.877 62.300 0.048 0.000 0.913 310 V CB 2.074 33.922 31.823 0.042 0.000 0.992 310 V HN 0.492 nan 8.190 nan 0.000 0.449 311 V N 6.544 126.482 119.914 0.041 0.000 2.340 311 V HA 0.650 4.770 4.120 0.000 0.000 0.277 311 V C -0.406 175.700 176.094 0.020 0.000 1.017 311 V CA -0.303 62.021 62.300 0.041 0.000 0.820 311 V CB 0.749 32.595 31.823 0.039 0.000 1.028 311 V HN 1.156 nan 8.190 nan 0.000 0.436 312 K N 4.109 124.529 120.400 0.034 0.000 2.477 312 K HA 0.552 4.872 4.320 0.000 0.000 0.255 312 K C 0.097 176.721 176.600 0.040 0.000 0.952 312 K CA -0.593 55.666 56.287 -0.046 0.000 0.826 312 K CB 1.036 33.469 32.500 -0.111 0.000 1.331 312 K HN 0.753 nan 8.250 nan 0.000 0.437 313 H N 0.792 119.868 119.070 0.010 0.000 3.237 313 H HA -0.169 4.387 4.556 0.000 0.000 0.231 313 H C 0.698 176.035 175.328 0.014 0.000 1.148 313 H CA 1.345 57.398 56.048 0.009 0.000 1.155 313 H CB -1.341 28.425 29.762 0.006 0.000 1.210 313 H HN 1.107 nan 8.280 nan 0.000 0.317 314 G N -0.772 108.076 108.800 0.080 0.000 2.184 314 G HA2 -0.325 3.635 3.960 0.000 0.000 0.264 314 G HA3 -0.325 3.635 3.960 0.000 0.000 0.264 314 G C 0.279 175.227 174.900 0.079 0.000 0.975 314 G CA 0.417 45.557 45.100 0.065 0.000 0.642 314 G HN 0.468 nan 8.290 nan 0.000 0.536 315 V N 1.559 121.532 119.914 0.098 0.000 2.370 315 V HA 0.369 4.489 4.120 0.000 0.000 0.279 315 V C 0.674 176.816 176.094 0.080 0.000 1.029 315 V CA -0.875 61.477 62.300 0.087 0.000 0.870 315 V CB 1.524 33.392 31.823 0.076 0.000 0.984 315 V HN 0.321 nan 8.190 nan 0.000 0.451 316 K N 5.437 125.884 120.400 0.080 0.000 2.412 316 K HA 0.322 4.642 4.320 0.000 0.000 0.284 316 K C -0.340 176.298 176.600 0.063 0.000 1.046 316 K CA 0.236 56.569 56.287 0.076 0.000 0.999 316 K CB 0.531 33.085 32.500 0.091 0.000 0.941 316 K HN 0.568 nan 8.250 nan 0.000 0.474 317 I N 4.243 124.847 120.570 0.056 0.000 2.325 317 I HA 0.052 4.222 4.170 0.000 0.000 0.285 317 I C -0.268 175.874 176.117 0.041 0.000 1.128 317 I CA -0.720 60.604 61.300 0.039 0.000 1.261 317 I CB 0.542 38.562 38.000 0.034 0.000 1.529 317 I HN 0.253 nan 8.210 nan 0.000 0.557 318 V N 3.651 123.583 119.914 0.031 0.000 2.529 318 V HA 0.235 4.355 4.120 0.000 0.000 0.292 318 V C 1.066 177.159 176.094 -0.001 0.000 1.028 318 V CA 0.183 62.495 62.300 0.021 0.000 1.074 318 V CB 0.960 32.740 31.823 -0.073 0.000 0.958 318 V HN 0.838 nan 8.190 nan 0.000 0.481 319 G N 3.773 112.624 108.800 0.087 0.000 4.370 319 G HA2 0.332 4.292 3.960 0.000 0.000 0.295 319 G HA3 0.332 4.292 3.960 0.000 0.000 0.295 319 G C -0.295 174.712 174.900 0.179 0.000 1.312 319 G CA -0.514 44.632 45.100 0.076 0.000 0.845 319 G HN 0.821 nan 8.290 nan 0.000 0.531 320 H N 0.311 119.384 119.070 0.006 0.000 2.757 320 H HA 0.284 4.840 4.556 0.000 0.000 0.370 320 H C 0.176 175.501 175.328 -0.004 0.000 1.172 320 H CA 0.123 56.171 56.048 -0.001 0.000 1.426 320 H CB 1.518 31.277 29.762 -0.006 0.000 1.438 320 H HN 0.239 nan 8.280 nan 0.000 0.612 321 T N 2.413 117.032 114.554 0.108 0.000 2.799 321 T HA 0.030 4.380 4.350 0.000 0.000 0.286 321 T C 0.188 174.906 174.700 0.030 0.000 0.973 321 T CA -0.634 61.493 62.100 0.045 0.000 1.035 321 T CB 0.073 68.947 68.868 0.009 0.000 0.932 321 T HN 0.767 nan 8.240 nan 0.000 0.469 322 N N 3.760 122.470 118.700 0.017 0.000 2.663 322 N HA -0.140 4.600 4.740 0.000 0.000 0.263 322 N C 0.854 176.376 175.510 0.020 0.000 1.109 322 N CA 0.769 53.820 53.050 0.000 0.000 0.701 322 N CB -1.345 37.130 38.487 -0.021 0.000 0.879 322 N HN 0.471 nan 8.380 nan 0.000 0.550 323 V N 0.657 120.593 119.914 0.037 0.000 2.407 323 V HA -0.137 3.983 4.120 0.000 0.000 0.248 323 V C -0.477 175.645 176.094 0.046 0.000 1.055 323 V CA 1.944 64.275 62.300 0.052 0.000 1.049 323 V CB -1.027 30.825 31.823 0.047 0.000 0.662 323 V HN 0.381 nan 8.190 nan 0.000 0.455 324 P HA -0.169 nan 4.420 nan 0.000 0.215 324 P C 2.165 179.478 177.300 0.023 0.000 1.153 324 P CA 2.080 65.203 63.100 0.039 0.000 0.853 324 P CB -0.118 31.604 31.700 0.036 0.000 0.788 325 S N -0.748 114.952 115.700 0.001 0.000 2.419 325 S HA -0.167 4.303 4.470 0.000 0.000 0.235 325 S C 1.675 176.277 174.600 0.003 0.000 1.019 325 S CA 1.028 59.219 58.200 -0.014 0.000 0.982 325 S CB -0.680 62.502 63.200 -0.030 0.000 0.789 325 S HN 0.062 nan 8.310 nan 0.000 0.490 326 R N -0.048 120.466 120.500 0.024 0.000 2.346 326 R HA 0.084 4.424 4.340 0.000 0.000 0.199 326 R C 0.568 176.898 176.300 0.050 0.000 1.015 326 R CA 0.561 56.682 56.100 0.035 0.000 1.058 326 R CB 0.106 30.443 30.300 0.061 0.000 0.921 326 R HN 0.337 nan 8.270 nan 0.000 0.475 327 V N -1.814 118.128 119.914 0.047 0.000 3.392 327 V HA 0.154 4.274 4.120 0.000 0.000 0.294 327 V C 1.625 177.731 176.094 0.021 0.000 1.561 327 V CA 0.443 62.776 62.300 0.054 0.000 1.056 327 V CB 0.810 32.680 31.823 0.079 0.000 0.882 327 V HN 0.225 nan 8.190 nan 0.000 0.440 328 A N 1.657 124.482 122.820 0.008 0.000 1.971 328 A HA -0.402 3.918 4.320 0.000 0.000 0.231 328 A C 2.354 179.934 177.584 -0.008 0.000 1.546 328 A CA 3.192 55.222 52.037 -0.010 0.000 0.716 328 A CB -0.874 18.113 19.000 -0.022 0.000 0.839 328 A HN 0.958 nan 8.150 nan 0.000 0.513 329 A N -1.877 120.940 122.820 -0.004 0.000 1.940 329 A HA -0.195 4.125 4.320 0.000 0.000 0.219 329 A C 1.965 179.546 177.584 -0.004 0.000 1.176 329 A CA 2.086 54.120 52.037 -0.005 0.000 0.631 329 A CB -0.424 18.573 19.000 -0.005 0.000 0.814 329 A HN 0.606 nan 8.150 nan 0.000 0.446 330 D N -0.895 119.500 120.400 -0.008 0.000 2.290 330 D HA 0.150 4.790 4.640 0.000 0.000 0.224 330 D C 2.259 178.565 176.300 0.010 0.000 0.967 330 D CA 1.097 55.089 54.000 -0.013 0.000 0.893 330 D CB -0.136 40.635 40.800 -0.048 0.000 1.037 330 D HN 0.303 nan 8.370 nan 0.000 0.477 331 A N 0.527 123.358 122.820 0.020 0.000 2.084 331 A HA -0.142 4.178 4.320 0.000 0.000 0.221 331 A C 2.353 179.985 177.584 0.081 0.000 1.161 331 A CA 1.595 53.664 52.037 0.054 0.000 0.653 331 A CB -0.302 18.729 19.000 0.052 0.000 0.802 331 A HN 0.124 nan 8.150 nan 0.000 0.457 332 S N -0.269 115.455 115.700 0.039 0.000 2.348 332 S HA -0.036 4.434 4.470 0.000 0.000 0.219 332 S C -0.280 174.374 174.600 0.089 0.000 1.033 332 S CA 1.224 59.446 58.200 0.035 0.000 0.974 332 S CB -0.764 62.433 63.200 -0.005 0.000 0.868 332 S HN 0.595 nan 8.310 nan 0.000 0.459 333 P HA -0.022 nan 4.420 nan 0.000 0.221 333 P C 1.306 178.666 177.300 0.099 0.000 1.150 333 P CA 0.695 63.842 63.100 0.079 0.000 0.800 333 P CB 0.016 31.743 31.700 0.044 0.000 0.787 334 L N -0.744 120.536 121.223 0.095 0.000 1.948 334 L HA -0.114 4.226 4.340 0.000 0.000 0.212 334 L C 2.605 179.548 176.870 0.123 0.000 1.074 334 L CA 1.792 56.682 54.840 0.084 0.000 0.753 334 L CB -1.874 40.227 42.059 0.070 0.000 0.888 334 L HN -0.152 nan 8.230 nan 0.000 0.432 335 F N 0.257 120.202 119.950 -0.009 0.000 2.063 335 F HA -0.395 4.132 4.527 0.000 0.000 0.298 335 F C 2.387 178.169 175.800 -0.028 0.000 1.105 335 F CA 1.924 59.906 58.000 -0.029 0.000 1.215 335 F CB -0.825 38.162 39.000 -0.023 0.000 0.972 335 F HN 0.169 nan 8.300 nan 0.000 0.483 336 A N -0.588 122.453 122.820 0.369 0.000 1.971 336 A HA -0.348 3.972 4.320 0.000 0.000 0.222 336 A C 2.288 180.025 177.584 0.255 0.000 1.182 336 A CA 2.357 54.598 52.037 0.340 0.000 0.649 336 A CB -0.932 18.232 19.000 0.272 0.000 0.818 336 A HN 0.543 nan 8.150 nan 0.000 0.458 337 K N -0.637 119.845 120.400 0.137 0.000 2.076 337 K HA -0.069 4.251 4.320 0.000 0.000 0.204 337 K C 1.848 178.449 176.600 0.003 0.000 1.051 337 K CA 1.101 57.441 56.287 0.089 0.000 0.949 337 K CB -0.276 32.257 32.500 0.054 0.000 0.726 337 K HN 0.647 nan 8.250 nan 0.000 0.443 338 N N 0.250 118.900 118.700 -0.084 0.000 2.096 338 N HA -0.238 4.502 4.740 0.000 0.000 0.195 338 N C 1.612 176.993 175.510 -0.216 0.000 1.017 338 N CA 1.445 54.386 53.050 -0.182 0.000 0.870 338 N CB -0.094 38.179 38.487 -0.358 0.000 1.024 338 N HN 0.044 nan 8.380 nan 0.000 0.434 339 L N 0.214 121.220 121.223 -0.361 0.000 2.023 339 L HA -0.084 4.256 4.340 0.000 0.000 0.205 339 L C 2.082 178.851 176.870 -0.168 0.000 1.073 339 L CA 0.810 55.292 54.840 -0.597 0.000 0.745 339 L CB -0.666 40.391 42.059 -1.670 0.000 0.900 339 L HN 0.215 nan 8.230 nan 0.000 0.435 340 L N -0.296 121.034 121.223 0.179 0.000 2.129 340 L HA -0.238 4.102 4.340 0.000 0.000 0.212 340 L C 2.195 179.156 176.870 0.151 0.000 1.087 340 L CA 1.739 56.809 54.840 0.383 0.000 0.757 340 L CB -0.765 41.480 42.059 0.309 0.000 0.896 340 L HN 0.340 nan 8.230 nan 0.000 0.434 341 N N -0.813 117.931 118.700 0.074 0.000 2.109 341 N HA -0.186 4.554 4.740 0.000 0.000 0.188 341 N C 1.787 177.297 175.510 0.000 0.000 1.034 341 N CA 1.590 54.651 53.050 0.019 0.000 0.846 341 N CB -0.651 37.836 38.487 0.000 0.000 1.010 341 N HN 0.435 nan 8.380 nan 0.000 0.425 342 F N 1.499 121.366 119.950 -0.138 0.000 2.373 342 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 342 F C 1.933 177.628 175.800 -0.175 0.000 1.080 342 F CA 0.737 58.636 58.000 -0.168 0.000 1.417 342 F CB 0.002 38.883 39.000 -0.198 0.000 1.070 342 F HN 0.008 nan 8.300 nan 0.000 0.546 343 L N -1.710 119.600 121.223 0.145 0.000 2.500 343 L HA 0.036 4.376 4.340 0.000 0.000 0.219 343 L C 2.067 178.943 176.870 0.011 0.000 1.057 343 L CA 0.675 55.606 54.840 0.152 0.000 0.854 343 L CB -0.545 41.764 42.059 0.416 0.000 1.078 343 L HN -0.113 nan 8.230 nan 0.000 0.480 344 T N 1.154 115.712 114.554 0.006 0.000 2.849 344 T HA -0.086 4.264 4.350 0.000 0.000 0.270 344 T C -0.914 173.728 174.700 -0.097 0.000 1.066 344 T CA 1.449 63.546 62.100 -0.005 0.000 1.130 344 T CB -0.681 68.190 68.868 0.005 0.000 0.864 344 T HN 0.320 nan 8.240 nan 0.000 0.481 345 P HA -0.066 nan 4.420 nan 0.000 0.212 345 P C 0.245 177.420 177.300 -0.208 0.000 1.180 345 P CA 1.128 64.022 63.100 -0.343 0.000 0.906 345 P CB -0.152 31.144 31.700 -0.672 0.000 0.782 346 H N -1.389 117.654 119.070 -0.044 0.000 3.262 346 H HA 0.278 4.834 4.556 -0.000 0.000 0.270 346 H C -0.042 175.311 175.328 0.041 0.000 1.431 346 H CA -0.522 55.516 56.048 -0.016 0.000 1.237 346 H CB -0.850 28.883 29.762 -0.050 0.000 1.443 346 H HN -0.070 nan 8.280 nan 0.000 0.609 347 V N 2.928 122.914 119.914 0.120 0.000 2.260 347 V HA 0.023 4.143 4.120 0.000 0.000 0.263 347 V C 0.192 176.327 176.094 0.068 0.000 1.036 347 V CA -0.848 61.523 62.300 0.118 0.000 0.874 347 V CB -0.328 31.608 31.823 0.188 0.000 1.116 347 V HN 0.749 nan 8.190 nan 0.000 0.454 348 D N 4.130 124.562 120.400 0.054 0.000 2.119 348 D HA -0.293 4.347 4.640 0.000 0.000 0.186 348 D C 0.561 176.874 176.300 0.022 0.000 1.306 348 D CA 1.313 55.331 54.000 0.031 0.000 0.788 348 D CB 0.694 41.505 40.800 0.019 0.000 1.235 348 D HN 0.710 nan 8.370 nan 0.000 0.555 349 K N -0.472 119.936 120.400 0.013 0.000 2.387 349 K HA 0.135 4.455 4.320 0.000 0.000 0.203 349 K C 0.249 176.851 176.600 0.003 0.000 1.030 349 K CA 0.032 56.326 56.287 0.011 0.000 1.099 349 K CB 0.611 33.118 32.500 0.012 0.000 0.863 349 K HN 0.342 nan 8.250 nan 0.000 0.529 350 D N -1.615 118.782 120.400 -0.005 0.000 1.943 350 D HA -0.020 4.620 4.640 0.000 0.000 0.555 350 D C 0.662 176.949 176.300 -0.022 0.000 0.861 350 D CA 0.448 54.441 54.000 -0.011 0.000 1.048 350 D CB 0.394 41.190 40.800 -0.007 0.000 1.518 350 D HN 0.086 nan 8.370 nan 0.000 0.494 351 T N 2.361 116.903 114.554 -0.020 0.000 2.848 351 T HA -0.223 4.127 4.350 0.000 0.000 0.269 351 T C 1.065 175.737 174.700 -0.047 0.000 1.081 351 T CA 1.733 63.818 62.100 -0.026 0.000 1.125 351 T CB -0.442 68.417 68.868 -0.015 0.000 0.848 351 T HN 0.421 nan 8.240 nan 0.000 0.503 352 K N 0.881 121.245 120.400 -0.061 0.000 3.148 352 K HA -0.177 4.143 4.320 0.000 0.000 0.267 352 K C -0.874 175.634 176.600 -0.153 0.000 0.996 352 K CA 0.766 56.982 56.287 -0.119 0.000 0.737 352 K CB -2.781 29.644 32.500 -0.125 0.000 1.308 352 K HN 0.324 nan 8.250 nan 0.000 0.470 353 T N 0.661 115.159 114.554 -0.092 0.000 2.906 353 T HA 0.581 4.931 4.350 0.000 0.000 0.295 353 T C -0.358 174.338 174.700 -0.006 0.000 1.075 353 T CA -1.054 61.010 62.100 -0.060 0.000 1.005 353 T CB 1.362 70.214 68.868 -0.027 0.000 1.136 353 T HN 0.213 nan 8.240 nan 0.000 0.498 354 L N 2.306 123.550 121.223 0.034 0.000 2.349 354 L HA 0.491 4.831 4.340 0.000 0.000 0.275 354 L C 0.546 177.469 176.870 0.087 0.000 1.115 354 L CA -0.021 54.884 54.840 0.108 0.000 0.820 354 L CB 1.069 43.221 42.059 0.154 0.000 1.135 354 L HN 0.605 nan 8.230 nan 0.000 0.445 355 V N 1.006 120.981 119.914 0.102 0.000 3.301 355 V HA 0.224 4.344 4.120 0.000 0.000 0.477 355 V C -0.034 176.063 176.094 0.005 0.000 1.564 355 V CA -0.715 61.619 62.300 0.057 0.000 1.946 355 V CB 0.610 32.460 31.823 0.045 0.000 1.281 355 V HN 0.674 nan 8.190 nan 0.000 0.655 356 M N 0.751 120.317 119.600 -0.058 0.000 3.109 356 M HA 0.145 4.625 4.480 0.000 0.000 0.305 356 M C 0.401 176.483 176.300 -0.363 0.000 1.727 356 M CA 0.774 55.810 55.300 -0.439 0.000 1.558 356 M CB -1.632 30.759 32.600 -0.349 0.000 1.757 356 M HN 0.509 nan 8.290 nan 0.000 0.478 357 K N 2.682 122.893 120.400 -0.315 0.000 2.258 357 K HA 0.004 4.324 4.320 0.000 0.000 0.266 357 K C 0.890 177.398 176.600 -0.153 0.000 1.204 357 K CA -0.144 56.052 56.287 -0.151 0.000 1.206 357 K CB -0.454 32.002 32.500 -0.074 0.000 0.854 357 K HN 0.417 nan 8.250 nan 0.000 0.453 358 L N 2.278 123.448 121.223 -0.088 0.000 2.230 358 L HA -0.311 4.029 4.340 0.000 0.000 0.217 358 L C 1.630 178.479 176.870 -0.035 0.000 1.090 358 L CA 1.661 56.474 54.840 -0.044 0.000 0.771 358 L CB -0.727 41.327 42.059 -0.009 0.000 0.892 358 L HN 0.561 nan 8.230 nan 0.000 0.438 359 E N -0.773 119.404 120.200 -0.038 0.000 2.072 359 E HA -0.140 4.210 4.350 0.000 0.000 0.191 359 E C 0.971 177.554 176.600 -0.028 0.000 0.985 359 E CA 0.625 57.011 56.400 -0.024 0.000 0.801 359 E CB -0.355 29.333 29.700 -0.020 0.000 0.750 359 E HN 0.319 nan 8.360 nan 0.000 0.452 360 D N 1.441 121.812 120.400 -0.048 0.000 2.660 360 D HA -0.143 4.497 4.640 0.000 0.000 0.253 360 D C 0.911 177.191 176.300 -0.033 0.000 1.256 360 D CA 0.341 54.315 54.000 -0.044 0.000 0.914 360 D CB 0.335 41.096 40.800 -0.065 0.000 1.137 360 D HN 0.262 nan 8.370 nan 0.000 0.542 361 E N 2.414 122.608 120.200 -0.011 0.000 2.273 361 E HA -0.268 4.082 4.350 0.000 0.000 0.198 361 E C 1.378 177.996 176.600 0.030 0.000 1.002 361 E CA 1.343 57.751 56.400 0.012 0.000 0.828 361 E CB 0.180 29.888 29.700 0.013 0.000 0.747 361 E HN 0.495 nan 8.360 nan 0.000 0.491 362 T N -0.531 114.020 114.554 -0.005 0.000 2.622 362 T HA -0.140 4.210 4.350 0.000 0.000 0.266 362 T C 1.815 176.549 174.700 0.056 0.000 1.047 362 T CA 1.866 63.962 62.100 -0.007 0.000 1.159 362 T CB -0.210 68.538 68.868 -0.201 0.000 0.863 362 T HN 0.134 nan 8.240 nan 0.000 0.422 363 V N 1.233 121.111 119.914 -0.060 0.000 2.515 363 V HA -0.095 4.025 4.120 0.000 0.000 0.250 363 V C 2.751 178.953 176.094 0.180 0.000 1.058 363 V CA 1.986 64.289 62.300 0.006 0.000 1.064 363 V CB -0.919 30.793 31.823 -0.185 0.000 0.675 363 V HN 0.578 nan 8.190 nan 0.000 0.461 364 S N 0.970 116.731 115.700 0.103 0.000 2.344 364 S HA -0.117 4.353 4.470 0.000 0.000 0.217 364 S C 2.103 176.802 174.600 0.166 0.000 1.033 364 S CA 1.962 60.229 58.200 0.112 0.000 1.017 364 S CB -0.715 62.517 63.200 0.054 0.000 0.941 364 S HN 0.559 nan 8.310 nan 0.000 0.430 365 G N -0.150 108.745 108.800 0.158 0.000 2.403 365 G HA2 -0.002 3.958 3.960 0.000 0.000 0.216 365 G HA3 -0.002 3.958 3.960 0.000 0.000 0.216 365 G C 0.776 175.815 174.900 0.233 0.000 1.154 365 G CA 1.062 46.283 45.100 0.202 0.000 0.784 365 G HN 0.557 nan 8.290 nan 0.000 0.538 366 T N 0.366 115.064 114.554 0.239 0.000 3.598 366 T HA 0.448 4.798 4.350 0.000 0.000 0.343 366 T C -0.987 173.944 174.700 0.385 0.000 1.697 366 T CA -0.197 62.040 62.100 0.227 0.000 1.247 366 T CB -0.126 68.898 68.868 0.260 0.000 1.210 366 T HN 0.217 nan 8.240 nan 0.000 0.820 367 C N 1.623 121.069 119.300 0.243 0.000 3.218 367 C HA 0.441 4.901 4.460 0.000 0.000 0.420 367 C C 0.296 175.314 174.990 0.047 0.000 0.987 367 C CA -0.555 58.558 59.018 0.157 0.000 1.196 367 C CB 0.396 28.295 27.740 0.264 0.000 1.576 367 C HN 0.480 nan 8.230 nan 0.000 0.594 368 V N 3.136 123.009 119.914 -0.069 0.000 3.398 368 V HA 0.430 4.550 4.120 0.000 0.000 0.298 368 V C 0.487 176.559 176.094 -0.036 0.000 1.496 368 V CA 0.481 62.758 62.300 -0.038 0.000 1.044 368 V CB 0.630 32.383 31.823 -0.115 0.000 0.880 368 V HN 0.932 nan 8.190 nan 0.000 0.443 369 T N 0.943 115.446 114.554 -0.087 0.000 3.933 369 T HA 0.471 4.821 4.350 0.000 0.000 0.357 369 T C -1.183 173.453 174.700 -0.107 0.000 1.077 369 T CA -0.395 61.662 62.100 -0.073 0.000 1.082 369 T CB 1.422 70.251 68.868 -0.065 0.000 1.158 369 T HN 0.281 nan 8.240 nan 0.000 0.472 370 R N 2.763 123.225 120.500 -0.063 0.000 2.604 370 R HA 0.533 4.873 4.340 0.000 0.000 0.287 370 R C -0.608 175.674 176.300 -0.030 0.000 0.970 370 R CA -0.527 55.540 56.100 -0.054 0.000 0.946 370 R CB 0.664 30.951 30.300 -0.022 0.000 1.127 370 R HN 0.666 nan 8.270 nan 0.000 0.473 371 D N 2.335 122.723 120.400 -0.020 0.000 5.758 371 D HA -0.019 4.621 4.640 0.000 0.000 0.222 371 D C 0.827 177.124 176.300 -0.005 0.000 1.450 371 D CA 2.180 56.175 54.000 -0.007 0.000 0.892 371 D CB -0.102 40.700 40.800 0.004 0.000 1.395 371 D HN 0.762 nan 8.370 nan 0.000 0.804 372 G N 0.312 109.107 108.800 -0.007 0.000 3.532 372 G HA2 0.217 4.177 3.960 0.000 0.000 0.196 372 G HA3 0.217 4.177 3.960 0.000 0.000 0.196 372 G C -0.032 174.864 174.900 -0.006 0.000 2.074 372 G CA 0.112 45.209 45.100 -0.004 0.000 1.323 372 G HN 1.063 nan 8.290 nan 0.000 0.439 373 A N -0.988 121.827 122.820 -0.007 0.000 2.536 373 A HA 0.723 5.043 4.320 0.000 0.000 0.293 373 A C -1.046 176.534 177.584 -0.006 0.000 1.119 373 A CA -0.351 51.682 52.037 -0.006 0.000 0.654 373 A CB 0.106 19.105 19.000 -0.001 0.000 1.291 373 A HN 1.086 nan 8.150 nan 0.000 0.439 374 I N 0.554 121.124 120.570 -0.000 0.000 2.826 374 I HA 0.068 4.238 4.170 0.000 0.000 0.295 374 I C 1.208 177.337 176.117 0.021 0.000 1.213 374 I CA 0.898 62.204 61.300 0.011 0.000 1.436 374 I CB 0.356 38.368 38.000 0.020 0.000 1.348 374 I HN 0.352 nan 8.210 nan 0.000 0.570 375 V N 4.027 123.963 119.914 0.037 0.000 3.455 375 V HA 0.073 4.193 4.120 0.000 0.000 0.250 375 V C 0.713 176.847 176.094 0.067 0.000 1.230 375 V CA 0.089 62.414 62.300 0.041 0.000 1.105 375 V CB -0.754 31.091 31.823 0.037 0.000 0.850 375 V HN 0.753 nan 8.190 nan 0.000 0.461 376 H N 1.674 120.740 119.070 -0.006 0.000 2.852 376 H HA 0.136 4.692 4.556 0.000 0.000 0.362 376 H C -1.205 174.123 175.328 -0.000 0.000 1.122 376 H CA -0.681 55.367 56.048 -0.000 0.000 1.419 376 H CB 1.042 30.802 29.762 -0.003 0.000 1.401 376 H HN -0.015 nan 8.280 nan 0.000 0.609 377 P HA -0.034 nan 4.420 nan 0.000 0.215 377 P C -0.462 176.816 177.300 -0.037 0.000 1.157 377 P CA 1.609 64.600 63.100 -0.182 0.000 0.863 377 P CB 0.211 31.747 31.700 -0.273 0.000 0.787 378 A N 0.000 122.858 122.820 0.063 0.000 2.254 378 A HA 0.000 4.320 4.320 0.000 0.000 0.244 378 A CA 0.000 52.108 52.037 0.119 0.000 0.836 378 A CB 0.000 19.092 19.000 0.153 0.000 0.831 378 A HN 0.000 nan 8.150 nan 0.000 0.486