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_B DATA FIRST_RESID 1 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT XXXXXXXXXX XXXXXXXXXX XEFRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPALT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.237 176.300 -0.105 0.000 1.140 1 M CA 0.000 55.164 55.300 -0.226 0.000 0.988 1 M CB 0.000 32.298 32.600 -0.503 0.000 1.302 2 K N 3.744 124.147 120.400 0.004 0.000 2.213 2 K HA 0.769 5.089 4.320 -0.000 0.000 0.270 2 K C -0.839 175.849 176.600 0.146 0.000 1.002 2 K CA -0.291 56.045 56.287 0.080 0.000 0.868 2 K CB 2.005 34.524 32.500 0.033 0.000 1.093 2 K HN 0.730 nan 8.250 nan 0.000 0.454 3 I N 1.833 122.480 120.570 0.129 0.000 2.406 3 I HA 0.608 4.778 4.170 -0.000 0.000 0.290 3 I C -1.237 174.802 176.117 -0.128 0.000 0.999 3 I CA -0.584 60.656 61.300 -0.101 0.000 1.124 3 I CB 1.095 38.799 38.000 -0.494 0.000 1.289 3 I HN 0.738 nan 8.210 nan 0.000 0.441 4 A N 7.756 130.516 122.820 -0.100 0.000 2.356 4 A HA 0.788 5.108 4.320 -0.000 0.000 0.310 4 A C -1.290 176.305 177.584 0.018 0.000 1.075 4 A CA -0.466 51.552 52.037 -0.032 0.000 0.746 4 A CB 1.111 20.115 19.000 0.005 0.000 1.221 4 A HN 0.569 nan 8.150 nan 0.000 0.443 5 I N 4.491 125.091 120.570 0.049 0.000 2.355 5 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 5 I C -1.810 174.350 176.117 0.071 0.000 0.999 5 I CA -1.728 59.641 61.300 0.115 0.000 1.163 5 I CB 1.597 39.692 38.000 0.158 0.000 1.316 5 I HN 0.498 nan 8.210 nan 0.000 0.454 6 P HA 0.185 nan 4.420 nan 0.000 0.342 6 P C -0.752 176.562 177.300 0.024 0.000 1.369 6 P CA -0.454 62.669 63.100 0.039 0.000 0.800 6 P CB 1.080 32.803 31.700 0.037 0.000 1.884 7 K N -0.493 119.913 120.400 0.009 0.000 2.375 7 K HA 0.212 4.532 4.320 -0.000 0.000 0.249 7 K C -0.523 176.065 176.600 -0.019 0.000 0.942 7 K CA -0.555 55.728 56.287 -0.007 0.000 0.806 7 K CB 1.334 33.830 32.500 -0.007 0.000 1.227 7 K HN 0.167 nan 8.250 nan 0.000 0.430 8 E N 3.363 123.541 120.200 -0.038 0.000 2.265 8 E HA 0.064 4.414 4.350 -0.000 0.000 0.272 8 E C 0.339 176.915 176.600 -0.039 0.000 1.067 8 E CA 0.006 56.376 56.400 -0.050 0.000 0.900 8 E CB 0.916 30.568 29.700 -0.079 0.000 1.017 8 E HN 0.449 nan 8.360 nan 0.000 0.431 9 R N 1.807 122.288 120.500 -0.032 0.000 2.254 9 R HA 0.119 4.459 4.340 -0.000 0.000 0.193 9 R C 0.561 176.843 176.300 -0.030 0.000 0.929 9 R CA -0.194 55.890 56.100 -0.026 0.000 1.038 9 R CB 0.319 30.609 30.300 -0.017 0.000 1.009 9 R HN 0.236 nan 8.270 nan 0.000 0.512 10 R N 2.264 122.742 120.500 -0.037 0.000 2.583 10 R HA 0.058 4.398 4.340 -0.000 0.000 0.274 10 R C -2.187 174.089 176.300 -0.040 0.000 0.998 10 R CA -1.286 54.791 56.100 -0.039 0.000 1.081 10 R CB -0.364 29.906 30.300 -0.051 0.000 0.940 10 R HN -0.060 nan 8.270 nan 0.000 0.413 11 P HA -0.022 nan 4.420 nan 0.000 0.264 11 P C 0.659 177.936 177.300 -0.038 0.000 1.183 11 P CA 0.933 64.014 63.100 -0.031 0.000 0.763 11 P CB 0.535 32.220 31.700 -0.024 0.000 0.807 12 G N 1.604 110.380 108.800 -0.040 0.000 2.267 12 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 12 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 12 G C 0.299 175.164 174.900 -0.058 0.000 0.998 12 G CA 0.173 45.245 45.100 -0.046 0.000 0.620 12 G HN 0.625 nan 8.290 nan 0.000 0.529 13 E N 1.455 121.616 120.200 -0.064 0.000 2.290 13 E HA 0.497 4.847 4.350 -0.000 0.000 0.277 13 E C 0.522 177.075 176.600 -0.078 0.000 1.035 13 E CA -0.032 56.320 56.400 -0.081 0.000 0.873 13 E CB 0.437 30.080 29.700 -0.094 0.000 1.029 13 E HN 0.264 nan 8.360 nan 0.000 0.419 14 D N 4.100 124.449 120.400 -0.085 0.000 2.520 14 D HA 0.083 4.723 4.640 -0.000 0.000 0.223 14 D C -0.147 176.101 176.300 -0.086 0.000 1.186 14 D CA -0.086 53.868 54.000 -0.075 0.000 0.821 14 D CB 0.501 41.261 40.800 -0.066 0.000 1.072 14 D HN 0.313 nan 8.370 nan 0.000 0.518 15 R N 0.806 121.234 120.500 -0.120 0.000 2.500 15 R HA 0.508 4.848 4.340 -0.000 0.000 0.275 15 R C -0.176 176.030 176.300 -0.156 0.000 1.051 15 R CA -0.410 55.602 56.100 -0.147 0.000 1.088 15 R CB 2.363 32.532 30.300 -0.218 0.000 1.063 15 R HN -0.143 nan 8.270 nan 0.000 0.511 16 V N 0.481 120.316 119.914 -0.132 0.000 3.096 16 V HA 0.611 4.731 4.120 -0.000 0.000 0.319 16 V C -0.457 175.564 176.094 -0.123 0.000 1.103 16 V CA -0.532 61.710 62.300 -0.096 0.000 1.016 16 V CB 1.925 33.728 31.823 -0.034 0.000 1.090 16 V HN 0.890 nan 8.190 nan 0.000 0.449 17 A N 5.510 128.302 122.820 -0.046 0.000 3.282 17 A HA 0.711 5.031 4.320 -0.000 0.000 0.287 17 A C -0.188 177.495 177.584 0.165 0.000 1.366 17 A CA -0.055 51.991 52.037 0.014 0.000 1.069 17 A CB -0.773 18.270 19.000 0.072 0.000 1.109 17 A HN 0.927 nan 8.150 nan 0.000 0.638 18 I N -1.466 119.176 120.570 0.120 0.000 2.951 18 I HA 0.460 4.630 4.170 -0.000 0.000 0.304 18 I C -1.308 174.870 176.117 0.101 0.000 1.550 18 I CA -0.259 61.147 61.300 0.177 0.000 0.947 18 I CB 1.885 40.003 38.000 0.198 0.000 1.351 18 I HN 0.234 nan 8.210 nan 0.000 0.548 19 S N 3.410 119.172 115.700 0.104 0.000 2.596 19 S HA 0.623 5.093 4.470 -0.000 0.000 0.270 19 S C -2.640 171.995 174.600 0.059 0.000 1.155 19 S CA -0.981 57.257 58.200 0.063 0.000 0.827 19 S CB 2.142 65.373 63.200 0.052 0.000 1.130 19 S HN 0.404 nan 8.310 nan 0.000 0.467 20 P HA -0.033 nan 4.420 nan 0.000 0.218 20 P C 1.273 178.594 177.300 0.035 0.000 1.149 20 P CA 1.084 64.204 63.100 0.033 0.000 0.817 20 P CB 0.125 31.838 31.700 0.022 0.000 0.785 21 E N 0.001 120.222 120.200 0.036 0.000 2.017 21 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 21 E C 1.760 178.390 176.600 0.048 0.000 0.997 21 E CA 1.570 57.991 56.400 0.035 0.000 0.804 21 E CB -0.565 29.152 29.700 0.029 0.000 0.757 21 E HN -0.090 nan 8.360 nan 0.000 0.448 22 V N 1.166 121.122 119.914 0.070 0.000 2.370 22 V HA -0.298 3.822 4.120 -0.000 0.000 0.252 22 V C 2.544 178.689 176.094 0.086 0.000 1.068 22 V CA 1.633 63.998 62.300 0.108 0.000 1.061 22 V CB -0.778 31.153 31.823 0.181 0.000 0.656 22 V HN 0.213 nan 8.190 nan 0.000 0.455 23 V N 0.400 120.353 119.914 0.064 0.000 2.219 23 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 23 V C 2.505 178.614 176.094 0.025 0.000 1.053 23 V CA 2.617 64.936 62.300 0.032 0.000 1.009 23 V CB -0.874 30.968 31.823 0.031 0.000 0.636 23 V HN 0.567 nan 8.190 nan 0.000 0.445 24 K N -0.081 120.338 120.400 0.031 0.000 2.113 24 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 24 K C 2.215 178.836 176.600 0.035 0.000 1.047 24 K CA 1.319 57.624 56.287 0.030 0.000 0.928 24 K CB -0.297 32.219 32.500 0.027 0.000 0.716 24 K HN 0.280 nan 8.250 nan 0.000 0.446 25 K N 0.988 121.411 120.400 0.038 0.000 2.097 25 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 25 K C 2.158 178.782 176.600 0.041 0.000 1.050 25 K CA 1.152 57.464 56.287 0.041 0.000 0.938 25 K CB -0.217 32.312 32.500 0.048 0.000 0.718 25 K HN 0.196 nan 8.250 nan 0.000 0.442 26 L N 0.054 121.282 121.223 0.007 0.000 2.049 26 L HA -0.108 4.232 4.340 -0.000 0.000 0.203 26 L C 2.430 179.363 176.870 0.104 0.000 1.074 26 L CA 0.495 55.304 54.840 -0.050 0.000 0.749 26 L CB -0.583 41.324 42.059 -0.254 0.000 0.907 26 L HN -0.166 nan 8.230 nan 0.000 0.439 27 V N 0.596 120.552 119.914 0.070 0.000 2.324 27 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 27 V C 2.589 178.733 176.094 0.084 0.000 1.060 27 V CA 2.238 64.588 62.300 0.084 0.000 1.042 27 V CB -1.250 30.601 31.823 0.047 0.000 0.650 27 V HN 0.615 nan 8.190 nan 0.000 0.450 28 G N -0.590 108.251 108.800 0.070 0.000 2.422 28 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 28 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 28 G C 1.182 176.127 174.900 0.075 0.000 1.146 28 G CA 0.472 45.607 45.100 0.058 0.000 0.769 28 G HN 0.464 nan 8.290 nan 0.000 0.547 29 L N 1.249 122.547 121.223 0.124 0.000 2.693 29 L HA 0.316 4.656 4.340 -0.000 0.000 0.242 29 L C 1.753 178.698 176.870 0.126 0.000 1.157 29 L CA 0.526 55.460 54.840 0.156 0.000 0.929 29 L CB -0.516 41.692 42.059 0.247 0.000 1.103 29 L HN 0.366 nan 8.230 nan 0.000 0.430 30 G N -1.380 107.463 108.800 0.073 0.000 2.248 30 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.263 30 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.263 30 G C -0.033 174.781 174.900 -0.143 0.000 1.082 30 G CA -0.312 44.764 45.100 -0.041 0.000 0.863 30 G HN 0.184 nan 8.290 nan 0.000 0.495 31 F N -0.230 119.695 119.950 -0.042 0.000 2.556 31 F HA 0.613 5.140 4.527 -0.000 0.000 0.327 31 F C 0.590 176.356 175.800 -0.058 0.000 1.059 31 F CA -0.836 57.127 58.000 -0.063 0.000 0.953 31 F CB 1.622 40.563 39.000 -0.099 0.000 1.227 31 F HN 0.080 nan 8.300 nan 0.000 0.478 32 E N 1.751 122.059 120.200 0.180 0.000 2.145 32 E HA 0.375 4.725 4.350 -0.000 0.000 0.262 32 E C -1.308 175.333 176.600 0.069 0.000 0.883 32 E CA -0.629 55.820 56.400 0.082 0.000 0.748 32 E CB 2.163 31.885 29.700 0.036 0.000 1.140 32 E HN 0.180 nan 8.360 nan 0.000 0.417 33 V N 5.365 125.297 119.914 0.030 0.000 2.461 33 V HA 0.319 4.439 4.120 -0.000 0.000 0.275 33 V C 0.090 176.182 176.094 -0.003 0.000 1.047 33 V CA -0.134 62.158 62.300 -0.013 0.000 0.955 33 V CB 0.445 32.255 31.823 -0.022 0.000 0.988 33 V HN 0.566 nan 8.190 nan 0.000 0.471 34 I N 6.057 126.620 120.570 -0.011 0.000 2.499 34 I HA 0.673 4.843 4.170 -0.000 0.000 0.288 34 I C -0.715 175.406 176.117 0.008 0.000 1.048 34 I CA -0.908 60.393 61.300 0.002 0.000 1.062 34 I CB 2.170 40.173 38.000 0.006 0.000 1.238 34 I HN 0.475 nan 8.210 nan 0.000 0.426 35 V N 1.977 121.899 119.914 0.014 0.000 2.808 35 V HA 0.532 4.652 4.120 -0.000 0.000 0.308 35 V C -0.558 175.545 176.094 0.016 0.000 1.099 35 V CA -0.839 61.474 62.300 0.022 0.000 0.920 35 V CB 1.810 33.649 31.823 0.027 0.000 1.014 35 V HN 0.852 nan 8.190 nan 0.000 0.425 36 E N 3.898 124.108 120.200 0.016 0.000 2.324 36 E HA 0.315 4.665 4.350 -0.000 0.000 0.271 36 E C 0.107 176.712 176.600 0.007 0.000 1.028 36 E CA -0.504 55.903 56.400 0.010 0.000 0.890 36 E CB 0.659 30.365 29.700 0.009 0.000 1.004 36 E HN 0.913 nan 8.360 nan 0.000 0.431 37 Q N 2.512 122.315 119.800 0.006 0.000 2.748 37 Q HA -0.118 4.222 4.340 -0.000 0.000 0.385 37 Q C 0.636 176.636 176.000 0.001 0.000 1.156 37 Q CA 0.492 56.297 55.803 0.003 0.000 1.143 37 Q CB -0.256 28.484 28.738 0.002 0.000 1.138 37 Q HN 1.003 nan 8.270 nan 0.000 0.445 38 G N 2.185 110.985 108.800 -0.000 0.000 2.393 38 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.299 38 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.299 38 G C 0.511 175.408 174.900 -0.006 0.000 0.990 38 G CA 0.262 45.360 45.100 -0.004 0.000 1.118 38 G HN 1.263 nan 8.290 nan 0.000 0.513 39 A N -0.777 122.041 122.820 -0.003 0.000 2.303 39 A HA 0.642 4.962 4.320 -0.000 0.000 0.217 39 A C 1.957 179.533 177.584 -0.013 0.000 1.205 39 A CA 1.406 53.440 52.037 -0.006 0.000 0.875 39 A CB 0.461 19.464 19.000 0.004 0.000 0.910 39 A HN 1.636 nan 8.150 nan 0.000 0.501 40 G N -1.405 107.389 108.800 -0.011 0.000 3.829 40 G HA2 0.283 4.243 3.960 -0.000 0.000 0.279 40 G HA3 0.283 4.243 3.960 -0.000 0.000 0.279 40 G C 0.896 175.785 174.900 -0.018 0.000 1.008 40 G CA 0.778 45.868 45.100 -0.016 0.000 0.840 40 G HN 0.215 nan 8.290 nan 0.000 0.474 41 V N 1.287 121.191 119.914 -0.016 0.000 2.469 41 V HA -0.028 4.092 4.120 -0.000 0.000 0.251 41 V C 2.523 178.603 176.094 -0.023 0.000 1.064 41 V CA 2.801 65.091 62.300 -0.016 0.000 1.066 41 V CB -0.231 31.583 31.823 -0.014 0.000 0.667 41 V HN 0.305 nan 8.190 nan 0.000 0.461 42 G N -1.174 107.608 108.800 -0.029 0.000 2.598 42 G HA2 0.099 4.059 3.960 -0.000 0.000 0.215 42 G HA3 0.099 4.059 3.960 -0.000 0.000 0.215 42 G C 1.045 175.922 174.900 -0.039 0.000 1.131 42 G CA 0.622 45.701 45.100 -0.036 0.000 0.785 42 G HN 0.818 nan 8.290 nan 0.000 0.539 43 A N -0.510 122.289 122.820 -0.036 0.000 2.637 43 A HA 0.588 4.908 4.320 -0.000 0.000 0.293 43 A C 1.360 178.929 177.584 -0.026 0.000 1.216 43 A CA 0.766 52.782 52.037 -0.036 0.000 0.956 43 A CB 0.015 18.991 19.000 -0.040 0.000 1.174 43 A HN 0.487 nan 8.150 nan 0.000 0.525 44 S N -1.100 114.586 115.700 -0.023 0.000 3.358 44 S HA -0.174 4.296 4.470 -0.000 0.000 0.309 44 S C 0.139 174.732 174.600 -0.012 0.000 1.247 44 S CA 1.354 59.544 58.200 -0.017 0.000 0.961 44 S CB -1.838 61.351 63.200 -0.018 0.000 1.074 44 S HN 0.644 nan 8.310 nan 0.000 0.625 45 I N 2.276 122.840 120.570 -0.010 0.000 2.339 45 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 45 I C 0.794 176.910 176.117 -0.002 0.000 0.994 45 I CA -0.333 60.965 61.300 -0.003 0.000 1.191 45 I CB 1.628 39.628 38.000 0.001 0.000 1.343 45 I HN 0.207 nan 8.210 nan 0.000 0.458 46 T N -0.196 114.358 114.554 -0.000 0.000 2.943 46 T HA 0.273 4.623 4.350 -0.000 0.000 0.284 46 T C 0.632 175.335 174.700 0.004 0.000 1.015 46 T CA -0.690 61.410 62.100 0.000 0.000 1.042 46 T CB 1.850 70.718 68.868 -0.000 0.000 1.055 46 T HN 0.439 nan 8.240 nan 0.000 0.500 47 D N 1.020 121.422 120.400 0.003 0.000 2.126 47 D HA -0.118 4.522 4.640 -0.000 0.000 0.190 47 D C 1.505 177.808 176.300 0.006 0.000 1.001 47 D CA 1.846 55.850 54.000 0.005 0.000 0.841 47 D CB -0.415 40.387 40.800 0.004 0.000 0.949 47 D HN 0.750 nan 8.370 nan 0.000 0.446 48 D N 0.088 120.491 120.400 0.005 0.000 2.126 48 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 48 D C 1.981 178.285 176.300 0.007 0.000 1.001 48 D CA 1.934 55.937 54.000 0.005 0.000 0.841 48 D CB -0.426 40.376 40.800 0.004 0.000 0.949 48 D HN 0.225 nan 8.370 nan 0.000 0.446 49 A N 0.699 123.523 122.820 0.007 0.000 1.896 49 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 49 A C 2.016 179.607 177.584 0.012 0.000 1.206 49 A CA 1.374 53.416 52.037 0.009 0.000 0.647 49 A CB -0.826 18.179 19.000 0.008 0.000 0.828 49 A HN 0.143 nan 8.150 nan 0.000 0.455 50 L N 0.116 121.347 121.223 0.014 0.000 1.932 50 L HA -0.185 4.155 4.340 -0.000 0.000 0.217 50 L C 3.047 179.926 176.870 0.014 0.000 1.077 50 L CA 2.836 57.686 54.840 0.017 0.000 0.765 50 L CB -2.296 39.774 42.059 0.018 0.000 0.888 50 L HN 0.695 nan 8.230 nan 0.000 0.433 51 T N -1.839 112.722 114.554 0.012 0.000 2.837 51 T HA -0.248 4.102 4.350 -0.000 0.000 0.266 51 T C 1.724 176.430 174.700 0.010 0.000 1.077 51 T CA 1.460 63.566 62.100 0.010 0.000 1.133 51 T CB -0.506 68.366 68.868 0.008 0.000 0.830 51 T HN 0.344 nan 8.240 nan 0.000 0.512 52 A N 1.061 123.887 122.820 0.010 0.000 1.975 52 A HA 0.652 4.972 4.320 -0.000 0.000 0.215 52 A C 2.735 180.326 177.584 0.012 0.000 1.170 52 A CA 1.055 53.098 52.037 0.010 0.000 0.656 52 A CB -0.963 18.043 19.000 0.009 0.000 0.821 52 A HN 0.736 nan 8.150 nan 0.000 0.449 53 A N -1.589 121.239 122.820 0.014 0.000 2.014 53 A HA 0.368 4.688 4.320 -0.000 0.000 0.218 53 A C 1.758 179.352 177.584 0.017 0.000 1.163 53 A CA 1.779 53.827 52.037 0.017 0.000 0.652 53 A CB -0.489 18.523 19.000 0.021 0.000 0.808 53 A HN 1.658 nan 8.150 nan 0.000 0.449 54 G N -3.146 105.664 108.800 0.016 0.000 2.370 54 G HA2 0.309 4.269 3.960 -0.000 0.000 0.174 54 G HA3 0.309 4.269 3.960 -0.000 0.000 0.174 54 G C 0.216 175.125 174.900 0.016 0.000 1.002 54 G CA 0.050 45.160 45.100 0.016 0.000 0.730 54 G HN 1.277 nan 8.290 nan 0.000 0.497 55 A N 0.527 123.356 122.820 0.015 0.000 2.354 55 A HA 0.779 5.099 4.320 -0.000 0.000 0.269 55 A C 0.561 178.151 177.584 0.011 0.000 1.109 55 A CA 0.675 52.719 52.037 0.013 0.000 0.800 55 A CB 0.628 19.637 19.000 0.013 0.000 1.045 55 A HN 0.477 nan 8.150 nan 0.000 0.489 56 T N 1.817 116.378 114.554 0.010 0.000 2.934 56 T HA 0.559 4.909 4.350 -0.000 0.000 0.283 56 T C -0.103 174.602 174.700 0.009 0.000 1.005 56 T CA 0.049 62.154 62.100 0.009 0.000 1.041 56 T CB 0.610 69.483 68.868 0.008 0.000 1.042 56 T HN 0.427 nan 8.240 nan 0.000 0.505 57 I N 1.735 122.309 120.570 0.008 0.000 2.433 57 I HA 0.582 4.752 4.170 -0.000 0.000 0.292 57 I C 0.371 176.492 176.117 0.007 0.000 1.001 57 I CA -0.951 60.354 61.300 0.008 0.000 1.119 57 I CB 1.617 39.621 38.000 0.007 0.000 1.289 57 I HN 0.668 nan 8.210 nan 0.000 0.438 58 A N 3.891 126.716 122.820 0.008 0.000 2.239 58 A HA 0.639 4.959 4.320 -0.000 0.000 0.303 58 A C 0.630 178.217 177.584 0.006 0.000 1.114 58 A CA -0.294 51.747 52.037 0.007 0.000 0.871 58 A CB 0.877 19.883 19.000 0.009 0.000 1.201 58 A HN 0.696 nan 8.150 nan 0.000 0.506 59 S N -1.071 114.633 115.700 0.006 0.000 2.520 59 S HA 0.215 4.685 4.470 -0.000 0.000 0.219 59 S C 0.276 174.878 174.600 0.004 0.000 1.028 59 S CA 0.600 58.802 58.200 0.004 0.000 0.921 59 S CB 0.179 63.381 63.200 0.003 0.000 0.844 59 S HN 1.147 nan 8.310 nan 0.000 0.495 60 T N -1.660 112.897 114.554 0.006 0.000 2.868 60 T HA 0.741 5.091 4.350 -0.000 0.000 0.306 60 T C 0.939 175.644 174.700 0.008 0.000 1.224 60 T CA -0.229 61.874 62.100 0.006 0.000 1.012 60 T CB 1.493 70.364 68.868 0.005 0.000 1.221 60 T HN -0.089 nan 8.240 nan 0.000 0.499 61 A N 1.025 123.850 122.820 0.009 0.000 1.948 61 A HA 0.156 4.476 4.320 -0.000 0.000 0.220 61 A C 2.384 179.976 177.584 0.014 0.000 1.177 61 A CA 2.379 54.424 52.037 0.012 0.000 0.636 61 A CB -1.426 17.580 19.000 0.011 0.000 0.815 61 A HN 1.323 nan 8.150 nan 0.000 0.449 62 A N -1.082 121.745 122.820 0.011 0.000 1.823 62 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 62 A C 2.089 179.680 177.584 0.011 0.000 1.225 62 A CA 1.531 53.575 52.037 0.011 0.000 0.604 62 A CB -0.816 18.189 19.000 0.008 0.000 0.878 62 A HN 0.550 nan 8.150 nan 0.000 0.450 63 Q N -0.559 119.246 119.800 0.009 0.000 2.576 63 Q HA -0.081 4.259 4.340 -0.000 0.000 0.218 63 Q C 1.699 177.705 176.000 0.009 0.000 0.983 63 Q CA 0.922 56.729 55.803 0.008 0.000 0.920 63 Q CB -0.246 28.496 28.738 0.006 0.000 0.973 63 Q HN 0.650 nan 8.270 nan 0.000 0.528 64 A N -0.616 122.211 122.820 0.012 0.000 1.956 64 A HA 0.013 4.333 4.320 -0.000 0.000 0.212 64 A C 1.481 179.075 177.584 0.016 0.000 1.188 64 A CA 0.300 52.346 52.037 0.014 0.000 0.675 64 A CB 0.064 19.073 19.000 0.016 0.000 0.845 64 A HN 0.294 nan 8.150 nan 0.000 0.455 65 L N -0.471 120.763 121.223 0.018 0.000 2.046 65 L HA 0.101 4.441 4.340 -0.000 0.000 0.203 65 L C 2.122 179.002 176.870 0.018 0.000 1.111 65 L CA 1.828 56.681 54.840 0.021 0.000 0.769 65 L CB -1.401 40.673 42.059 0.025 0.000 0.914 65 L HN 0.419 nan 8.230 nan 0.000 0.448 66 S N -0.436 115.274 115.700 0.015 0.000 4.150 66 S HA -0.319 4.151 4.470 -0.000 0.000 0.537 66 S C 0.879 175.487 174.600 0.014 0.000 1.375 66 S CA 2.037 60.245 58.200 0.013 0.000 3.753 66 S CB -1.378 61.827 63.200 0.010 0.000 1.831 66 S HN 0.717 nan 8.310 nan 0.000 0.455 67 Q N 2.046 121.853 119.800 0.013 0.000 2.824 67 Q HA 0.726 5.066 4.340 -0.000 0.000 0.371 67 Q C -0.602 175.408 176.000 0.018 0.000 1.071 67 Q CA 0.192 56.002 55.803 0.013 0.000 1.064 67 Q CB 0.464 29.206 28.738 0.007 0.000 1.332 67 Q HN 0.672 nan 8.270 nan 0.000 0.445 68 A N 1.638 124.472 122.820 0.024 0.000 2.302 68 A HA 0.356 4.676 4.320 -0.000 0.000 0.295 68 A C -0.079 177.530 177.584 0.043 0.000 1.235 68 A CA -0.406 51.650 52.037 0.032 0.000 0.876 68 A CB 0.353 19.373 19.000 0.033 0.000 1.133 68 A HN 0.452 nan 8.150 nan 0.000 0.533 69 D N 1.352 121.783 120.400 0.052 0.000 2.103 69 D HA 0.090 4.730 4.640 -0.000 0.000 0.199 69 D C 0.410 176.768 176.300 0.097 0.000 0.978 69 D CA 1.363 55.403 54.000 0.067 0.000 0.829 69 D CB 0.149 40.986 40.800 0.063 0.000 0.981 69 D HN 0.323 nan 8.370 nan 0.000 0.464 70 V N 0.232 120.207 119.914 0.102 0.000 2.760 70 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 70 V C -1.362 174.752 176.094 0.035 0.000 1.077 70 V CA -0.902 61.461 62.300 0.104 0.000 0.910 70 V CB 2.253 34.155 31.823 0.131 0.000 1.008 70 V HN -0.118 nan 8.190 nan 0.000 0.424 71 V N 6.516 126.501 119.914 0.119 0.000 2.581 71 V HA 0.694 4.814 4.120 -0.000 0.000 0.303 71 V C -1.470 174.851 176.094 0.378 0.000 1.041 71 V CA -0.408 61.980 62.300 0.147 0.000 0.907 71 V CB 2.137 34.042 31.823 0.137 0.000 0.994 71 V HN 0.903 nan 8.190 nan 0.000 0.442 72 W N 5.193 126.531 121.300 0.064 0.000 2.600 72 W HA 0.713 5.373 4.660 -0.000 0.000 0.325 72 W C -0.105 176.451 176.519 0.063 0.000 1.034 72 W CA -1.176 56.215 57.345 0.076 0.000 1.226 72 W CB 1.524 31.019 29.460 0.059 0.000 1.379 72 W HN 0.396 nan 8.180 nan 0.000 0.466 73 K N 1.114 121.660 120.400 0.243 0.000 2.508 73 K HA 0.363 4.683 4.320 -0.000 0.000 0.260 73 K C 0.555 177.178 176.600 0.038 0.000 0.949 73 K CA -0.584 55.767 56.287 0.107 0.000 0.834 73 K CB 3.020 35.575 32.500 0.092 0.000 1.365 73 K HN 0.140 nan 8.250 nan 0.000 0.437 74 V N -1.250 118.568 119.914 -0.159 0.000 2.426 74 V HA 0.103 4.223 4.120 -0.000 0.000 0.242 74 V C 0.319 176.332 176.094 -0.134 0.000 1.036 74 V CA 0.700 62.730 62.300 -0.450 0.000 1.044 74 V CB -0.111 31.245 31.823 -0.778 0.000 0.688 74 V HN 0.601 nan 8.190 nan 0.000 0.462 75 Q N 1.444 121.177 119.800 -0.111 0.000 2.312 75 Q HA 0.440 4.780 4.340 -0.000 0.000 0.263 75 Q C -0.317 175.672 176.000 -0.018 0.000 0.995 75 Q CA -0.879 54.879 55.803 -0.075 0.000 0.853 75 Q CB 2.222 30.892 28.738 -0.114 0.000 1.300 75 Q HN 0.696 nan 8.270 nan 0.000 0.448 76 R N 2.676 123.179 120.500 0.005 0.000 2.547 76 R HA 0.005 4.345 4.340 -0.000 0.000 0.269 76 R C -2.253 174.053 176.300 0.010 0.000 0.968 76 R CA -0.716 55.400 56.100 0.027 0.000 1.101 76 R CB -0.459 29.858 30.300 0.028 0.000 0.898 76 R HN 0.237 nan 8.270 nan 0.000 0.416 77 P HA -0.078 nan 4.420 nan 0.000 0.271 77 P C -0.452 176.851 177.300 0.006 0.000 1.238 77 P CA 0.191 63.300 63.100 0.015 0.000 0.794 77 P CB 0.557 32.271 31.700 0.025 0.000 0.959 78 M N 0.794 120.396 119.600 0.003 0.000 2.157 78 M HA 0.211 4.691 4.480 -0.000 0.000 0.354 78 M C 1.137 177.439 176.300 0.003 0.000 1.170 78 M CA -0.464 54.836 55.300 0.000 0.000 1.060 78 M CB 1.213 33.811 32.600 -0.004 0.000 1.615 78 M HN 0.362 nan 8.290 nan 0.000 0.460 79 T N 0.008 114.564 114.554 0.003 0.000 2.701 79 T HA 0.344 4.694 4.350 -0.000 0.000 0.303 79 T C 1.162 175.864 174.700 0.002 0.000 1.030 79 T CA -0.187 61.915 62.100 0.004 0.000 1.010 79 T CB 0.873 69.743 68.868 0.004 0.000 1.007 79 T HN 0.717 nan 8.240 nan 0.000 0.532 80 A N -0.049 122.773 122.820 0.003 0.000 2.067 80 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 80 A C 2.006 179.590 177.584 0.001 0.000 1.156 80 A CA 0.782 52.820 52.037 0.002 0.000 0.683 80 A CB -0.858 18.143 19.000 0.003 0.000 0.808 80 A HN 0.892 nan 8.150 nan 0.000 0.455 81 E N 0.698 120.899 120.200 0.001 0.000 2.401 81 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 81 E C 1.148 177.748 176.600 -0.001 0.000 1.023 81 E CA 1.203 57.603 56.400 0.001 0.000 0.859 81 E CB -0.142 29.558 29.700 0.001 0.000 0.780 81 E HN 0.774 nan 8.360 nan 0.000 0.523 82 E N -1.040 119.160 120.200 -0.001 0.000 2.481 82 E HA 0.204 4.554 4.350 -0.000 0.000 0.198 82 E C 0.950 177.548 176.600 -0.003 0.000 1.027 82 E CA 0.287 56.685 56.400 -0.003 0.000 0.900 82 E CB 0.783 30.480 29.700 -0.004 0.000 0.993 82 E HN 0.288 nan 8.360 nan 0.000 0.482 83 G N 1.194 109.993 108.800 -0.002 0.000 2.176 83 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.232 83 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.232 83 G C 0.330 175.228 174.900 -0.002 0.000 0.986 83 G CA 0.248 45.347 45.100 -0.002 0.000 0.643 83 G HN 0.208 nan 8.290 nan 0.000 0.522 84 T N 0.134 114.688 114.554 -0.001 0.000 2.982 84 T HA 0.505 4.855 4.350 -0.000 0.000 0.321 84 T C -2.050 172.650 174.700 0.001 0.000 1.229 84 T CA -0.531 61.568 62.100 -0.001 0.000 1.044 84 T CB 2.514 71.380 68.868 -0.002 0.000 1.184 84 T HN 0.096 nan 8.240 nan 0.000 0.477 85 D N 1.602 122.003 120.400 0.003 0.000 2.464 85 D HA 0.280 4.920 4.640 -0.000 0.000 0.243 85 D C 0.457 176.761 176.300 0.007 0.000 1.104 85 D CA -0.243 53.760 54.000 0.005 0.000 0.883 85 D CB 1.272 42.075 40.800 0.005 0.000 1.050 85 D HN 0.576 nan 8.370 nan 0.000 0.524 86 E N 1.535 121.741 120.200 0.009 0.000 2.216 86 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 86 E C 1.911 178.522 176.600 0.017 0.000 0.973 86 E CA 0.132 56.539 56.400 0.013 0.000 0.851 86 E CB 0.674 30.382 29.700 0.014 0.000 0.804 86 E HN 0.249 nan 8.360 nan 0.000 0.477 87 V N 1.754 121.678 119.914 0.016 0.000 2.231 87 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 87 V C 2.021 178.125 176.094 0.017 0.000 1.054 87 V CA 2.296 64.607 62.300 0.018 0.000 1.015 87 V CB -0.449 31.382 31.823 0.015 0.000 0.638 87 V HN 0.316 nan 8.190 nan 0.000 0.444 88 A N -1.131 121.697 122.820 0.013 0.000 2.276 88 A HA 0.045 4.365 4.320 -0.000 0.000 0.205 88 A C 1.854 179.445 177.584 0.012 0.000 1.234 88 A CA 1.338 53.382 52.037 0.011 0.000 0.797 88 A CB -0.600 18.406 19.000 0.009 0.000 0.769 88 A HN 0.653 nan 8.150 nan 0.000 0.491 89 L N -0.971 120.262 121.223 0.015 0.000 2.638 89 L HA 0.320 4.660 4.340 -0.000 0.000 0.232 89 L C 0.091 176.973 176.870 0.020 0.000 1.099 89 L CA -0.039 54.811 54.840 0.016 0.000 0.883 89 L CB 0.317 42.386 42.059 0.017 0.000 1.136 89 L HN 0.275 nan 8.230 nan 0.000 0.492 90 I N 1.755 122.339 120.570 0.024 0.000 2.308 90 I HA 0.037 4.207 4.170 -0.000 0.000 0.293 90 I C 0.612 176.743 176.117 0.025 0.000 1.078 90 I CA -0.329 60.988 61.300 0.029 0.000 1.292 90 I CB 0.574 38.596 38.000 0.036 0.000 1.423 90 I HN 0.090 nan 8.210 nan 0.000 0.493 91 K N 7.500 127.915 120.400 0.024 0.000 2.472 91 K HA -0.121 4.199 4.320 -0.000 0.000 0.269 91 K C 0.036 176.648 176.600 0.020 0.000 1.056 91 K CA 0.380 56.679 56.287 0.020 0.000 1.158 91 K CB 0.390 32.902 32.500 0.021 0.000 0.821 91 K HN 0.566 nan 8.250 nan 0.000 0.486 92 E N 2.157 122.366 120.200 0.015 0.000 2.502 92 E HA -0.058 4.292 4.350 -0.000 0.000 0.261 92 E C 0.628 177.237 176.600 0.015 0.000 0.974 92 E CA 1.163 57.571 56.400 0.013 0.000 0.936 92 E CB 0.175 29.881 29.700 0.010 0.000 0.926 92 E HN 0.866 nan 8.360 nan 0.000 0.459 93 G N 1.797 110.605 108.800 0.014 0.000 2.256 93 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.272 93 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.272 93 G C -0.048 174.867 174.900 0.026 0.000 1.076 93 G CA 0.087 45.197 45.100 0.016 0.000 0.882 93 G HN 0.682 nan 8.290 nan 0.000 0.497 94 A N -1.178 121.661 122.820 0.032 0.000 2.309 94 A HA 0.931 5.251 4.320 -0.000 0.000 0.317 94 A C 0.106 177.729 177.584 0.065 0.000 1.134 94 A CA -0.309 51.760 52.037 0.053 0.000 0.866 94 A CB 1.751 20.784 19.000 0.055 0.000 1.329 94 A HN 1.247 nan 8.150 nan 0.000 0.477 95 V N 1.191 121.172 119.914 0.111 0.000 2.350 95 V HA 0.373 4.493 4.120 -0.000 0.000 0.276 95 V C -0.592 175.621 176.094 0.198 0.000 1.028 95 V CA -0.306 62.090 62.300 0.160 0.000 0.860 95 V CB 0.675 32.666 31.823 0.279 0.000 0.990 95 V HN 0.680 nan 8.190 nan 0.000 0.453 96 L N 6.986 128.298 121.223 0.148 0.000 2.272 96 L HA 0.666 5.006 4.340 -0.000 0.000 0.289 96 L C -0.396 176.633 176.870 0.265 0.000 1.032 96 L CA 0.010 54.961 54.840 0.184 0.000 0.810 96 L CB 1.165 43.284 42.059 0.099 0.000 1.205 96 L HN 0.645 nan 8.230 nan 0.000 0.422 97 M N 6.653 126.459 119.600 0.343 0.000 2.190 97 M HA 0.624 5.104 4.480 -0.000 0.000 0.312 97 M C -0.806 175.599 176.300 0.175 0.000 0.990 97 M CA -0.425 55.051 55.300 0.293 0.000 0.927 97 M CB 1.529 34.357 32.600 0.381 0.000 1.571 97 M HN 0.968 nan 8.290 nan 0.000 0.427 98 C N 0.141 119.506 119.300 0.108 0.000 3.209 98 C HA 0.380 4.840 4.460 -0.000 0.000 0.353 98 C C -1.213 173.873 174.990 0.159 0.000 1.436 98 C CA -1.127 57.989 59.018 0.163 0.000 1.186 98 C CB 1.428 29.264 27.740 0.161 0.000 1.550 98 C HN 0.991 nan 8.230 nan 0.000 0.435 99 H N 0.647 119.790 119.070 0.122 0.000 2.690 99 H HA 0.642 5.198 4.556 -0.000 0.000 0.289 99 H C 0.138 175.485 175.328 0.032 0.000 1.089 99 H CA -0.787 55.296 56.048 0.059 0.000 1.299 99 H CB 0.726 30.563 29.762 0.125 0.000 1.405 99 H HN 0.587 nan 8.280 nan 0.000 0.463 100 L N 4.470 125.860 121.223 0.278 0.000 2.628 100 L HA 0.224 4.564 4.340 -0.000 0.000 0.229 100 L C 1.912 178.888 176.870 0.177 0.000 1.137 100 L CA 0.469 55.410 54.840 0.169 0.000 0.909 100 L CB 0.294 42.391 42.059 0.064 0.000 1.137 100 L HN 1.065 nan 8.230 nan 0.000 0.470 101 G N 0.545 109.561 108.800 0.359 0.000 2.280 101 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.282 101 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.282 101 G C 1.387 176.332 174.900 0.075 0.000 1.000 101 G CA 0.827 46.055 45.100 0.214 0.000 0.751 101 G HN 0.515 nan 8.290 nan 0.000 0.515 102 A N 0.090 122.928 122.820 0.030 0.000 1.865 102 A HA -0.316 4.004 4.320 -0.000 0.000 0.244 102 A C 2.462 180.034 177.584 -0.020 0.000 1.984 102 A CA 2.452 54.474 52.037 -0.025 0.000 0.785 102 A CB -0.845 18.093 19.000 -0.104 0.000 0.849 102 A HN 1.150 nan 8.150 nan 0.000 0.501 103 L N -0.642 120.564 121.223 -0.027 0.000 2.263 103 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 103 L C 2.647 179.526 176.870 0.014 0.000 1.111 103 L CA 1.862 56.701 54.840 -0.002 0.000 0.773 103 L CB -1.016 41.045 42.059 0.004 0.000 0.906 103 L HN 0.829 nan 8.230 nan 0.000 0.439 104 T N -5.312 109.253 114.554 0.018 0.000 3.042 104 T HA 0.070 4.420 4.350 -0.000 0.000 0.245 104 T C 1.060 175.769 174.700 0.017 0.000 1.029 104 T CA -0.176 61.935 62.100 0.020 0.000 1.120 104 T CB -0.051 68.832 68.868 0.024 0.000 0.917 104 T HN 0.103 nan 8.240 nan 0.000 0.467 105 N N 2.402 121.112 118.700 0.017 0.000 3.034 105 N HA 0.268 5.008 4.740 -0.000 0.000 0.265 105 N C 0.985 176.502 175.510 0.012 0.000 1.166 105 N CA -0.115 52.944 53.050 0.014 0.000 1.081 105 N CB 1.269 39.765 38.487 0.015 0.000 1.378 105 N HN 0.455 nan 8.380 nan 0.000 0.520 106 R N 2.785 123.292 120.500 0.012 0.000 2.062 106 R HA -0.018 4.322 4.340 -0.000 0.000 0.231 106 R C -0.893 175.413 176.300 0.010 0.000 1.136 106 R CA 1.232 57.340 56.100 0.012 0.000 0.948 106 R CB -0.774 29.534 30.300 0.014 0.000 0.845 106 R HN 0.124 nan 8.270 nan 0.000 0.430 107 P HA -0.263 nan 4.420 nan 0.000 0.219 107 P C 1.477 178.781 177.300 0.007 0.000 1.158 107 P CA 1.597 64.701 63.100 0.007 0.000 0.895 107 P CB -0.098 31.606 31.700 0.006 0.000 0.792 108 V N -0.804 119.115 119.914 0.008 0.000 2.453 108 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 108 V C 2.176 178.275 176.094 0.008 0.000 1.048 108 V CA 1.540 63.846 62.300 0.009 0.000 1.049 108 V CB -0.824 31.006 31.823 0.010 0.000 0.672 108 V HN -0.061 nan 8.190 nan 0.000 0.457 109 V N 0.705 120.624 119.914 0.007 0.000 2.332 109 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 109 V C 2.438 178.535 176.094 0.005 0.000 1.055 109 V CA 2.858 65.161 62.300 0.005 0.000 1.038 109 V CB -0.425 31.401 31.823 0.005 0.000 0.651 109 V HN 0.796 nan 8.190 nan 0.000 0.450 110 E N 0.328 120.532 120.200 0.007 0.000 2.107 110 E HA -0.091 4.258 4.350 -0.000 0.000 0.191 110 E C 2.280 178.883 176.600 0.006 0.000 0.982 110 E CA 1.114 57.518 56.400 0.007 0.000 0.809 110 E CB -0.431 29.274 29.700 0.008 0.000 0.756 110 E HN 0.675 nan 8.360 nan 0.000 0.459 111 A N 1.116 123.939 122.820 0.006 0.000 1.940 111 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 111 A C 2.088 179.675 177.584 0.006 0.000 1.176 111 A CA 1.207 53.248 52.037 0.006 0.000 0.631 111 A CB -0.385 18.619 19.000 0.007 0.000 0.814 111 A HN 0.090 nan 8.150 nan 0.000 0.446 112 L N -0.955 120.271 121.223 0.005 0.000 2.044 112 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 112 L C 2.705 179.575 176.870 -0.001 0.000 1.075 112 L CA 2.229 57.071 54.840 0.003 0.000 0.747 112 L CB -1.207 40.852 42.059 -0.000 0.000 0.903 112 L HN 0.282 nan 8.230 nan 0.000 0.435 113 T N -0.595 113.958 114.554 -0.002 0.000 2.699 113 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 113 T C 1.949 176.650 174.700 0.001 0.000 1.036 113 T CA 1.365 63.464 62.100 -0.002 0.000 1.147 113 T CB -0.129 68.740 68.868 0.001 0.000 0.862 113 T HN 0.246 nan 8.240 nan 0.000 0.446 114 K N 0.402 120.804 120.400 0.003 0.000 2.148 114 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 114 K C 2.165 178.768 176.600 0.004 0.000 1.050 114 K CA 0.716 57.005 56.287 0.004 0.000 0.942 114 K CB 0.000 32.503 32.500 0.005 0.000 0.724 114 K HN 0.104 nan 8.250 nan 0.000 0.446 115 R N 1.244 121.746 120.500 0.005 0.000 2.335 115 R HA 0.061 4.401 4.340 -0.000 0.000 0.223 115 R C -0.546 175.756 176.300 0.005 0.000 0.940 115 R CA 0.091 56.194 56.100 0.006 0.000 1.086 115 R CB 0.077 30.382 30.300 0.008 0.000 1.073 115 R HN 0.098 nan 8.270 nan 0.000 0.504 116 K N 1.188 121.589 120.400 0.002 0.000 5.230 116 K HA -0.182 4.138 4.320 -0.000 0.000 0.331 116 K C -0.747 175.851 176.600 -0.002 0.000 0.863 116 K CA 0.713 56.999 56.287 -0.000 0.000 1.030 116 K CB -0.877 31.625 32.500 0.002 0.000 1.845 116 K HN 0.267 nan 8.250 nan 0.000 0.404 117 I N 0.841 121.405 120.570 -0.010 0.000 2.769 117 I HA 0.176 4.346 4.170 -0.000 0.000 0.298 117 I C 0.236 176.322 176.117 -0.051 0.000 1.128 117 I CA -0.981 60.309 61.300 -0.016 0.000 1.031 117 I CB 2.547 40.544 38.000 -0.005 0.000 1.235 117 I HN 0.093 nan 8.210 nan 0.000 0.423 118 T N 4.159 118.662 114.554 -0.084 0.000 2.727 118 T HA 0.531 4.881 4.350 -0.000 0.000 0.298 118 T C -0.070 174.447 174.700 -0.304 0.000 0.942 118 T CA -0.422 61.553 62.100 -0.208 0.000 0.997 118 T CB 0.832 69.554 68.868 -0.244 0.000 0.917 118 T HN 0.607 nan 8.240 nan 0.000 0.487 119 A N 3.699 126.350 122.820 -0.280 0.000 2.271 119 A HA 0.631 4.951 4.320 -0.000 0.000 0.317 119 A C -1.059 176.372 177.584 -0.255 0.000 1.245 119 A CA -0.653 51.265 52.037 -0.198 0.000 0.857 119 A CB 0.322 19.277 19.000 -0.074 0.000 1.175 119 A HN 0.779 nan 8.150 nan 0.000 0.512 120 Y N 1.934 122.280 120.300 0.076 0.000 2.595 120 Y HA 0.430 4.980 4.550 -0.000 0.000 0.336 120 Y C 0.967 176.820 175.900 -0.079 0.000 0.996 120 Y CA -0.786 57.337 58.100 0.039 0.000 1.260 120 Y CB 1.009 39.547 38.460 0.131 0.000 1.108 120 Y HN 0.759 nan 8.280 nan 0.000 0.509 121 A N 4.249 127.081 122.820 0.020 0.000 2.770 121 A HA 0.063 4.383 4.320 -0.000 0.000 0.292 121 A C 1.597 179.070 177.584 -0.184 0.000 1.604 121 A CA -0.261 51.724 52.037 -0.086 0.000 1.271 121 A CB -0.319 18.596 19.000 -0.141 0.000 1.075 121 A HN 0.939 nan 8.150 nan 0.000 0.573 122 M N 1.831 121.288 119.600 -0.239 0.000 2.260 122 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 122 M C 2.103 178.173 176.300 -0.384 0.000 1.066 122 M CA 1.853 56.922 55.300 -0.384 0.000 1.082 122 M CB -0.131 32.230 32.600 -0.397 0.000 1.388 122 M HN 0.806 nan 8.290 nan 0.000 0.419 123 E N -0.364 119.569 120.200 -0.444 0.000 2.485 123 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 123 E C 0.787 177.210 176.600 -0.294 0.000 1.098 123 E CA 0.615 56.712 56.400 -0.506 0.000 0.878 123 E CB -0.539 28.605 29.700 -0.928 0.000 0.939 123 E HN 0.569 nan 8.360 nan 0.000 0.503 124 L N 0.431 121.513 121.223 -0.236 0.000 3.069 124 L HA 0.294 4.634 4.340 -0.000 0.000 0.271 124 L C 0.555 177.367 176.870 -0.097 0.000 1.201 124 L CA -0.800 53.954 54.840 -0.143 0.000 1.015 124 L CB 0.176 42.145 42.059 -0.149 0.000 1.371 124 L HN 0.046 nan 8.230 nan 0.000 0.574 125 M N 2.050 121.560 119.600 -0.149 0.000 2.240 125 M HA 0.048 4.528 4.480 -0.000 0.000 0.346 125 M C -2.179 174.095 176.300 -0.044 0.000 1.236 125 M CA -1.161 54.072 55.300 -0.112 0.000 0.986 125 M CB -0.145 32.362 32.600 -0.155 0.000 1.786 125 M HN -0.225 nan 8.290 nan 0.000 0.457 126 P HA 0.097 nan 4.420 nan 0.000 0.271 126 P C -0.462 176.838 177.300 -0.000 0.000 1.220 126 P CA -0.050 63.059 63.100 0.015 0.000 0.768 126 P CB 0.399 32.122 31.700 0.039 0.000 0.848 127 R N 3.484 123.984 120.500 -0.001 0.000 4.218 127 R HA 0.026 4.366 4.340 -0.000 0.000 0.208 127 R C 0.968 177.267 176.300 -0.001 0.000 2.100 127 R CA 0.161 56.258 56.100 -0.006 0.000 1.727 127 R CB -1.359 28.939 30.300 -0.003 0.000 1.186 127 R HN 0.604 nan 8.270 nan 0.000 0.645 128 I N -3.605 116.966 120.570 0.002 0.000 4.088 128 I HA 0.167 4.337 4.170 -0.000 0.000 0.239 128 I C 0.825 176.941 176.117 -0.002 0.000 1.479 128 I CA -0.432 60.870 61.300 0.003 0.000 0.897 128 I CB 0.599 38.605 38.000 0.010 0.000 1.709 128 I HN -0.215 nan 8.210 nan 0.000 0.750 129 S N -0.421 115.278 115.700 -0.001 0.000 2.591 129 S HA 0.118 4.588 4.470 -0.000 0.000 0.235 129 S C 1.651 176.247 174.600 -0.006 0.000 1.074 129 S CA 0.145 58.342 58.200 -0.005 0.000 0.925 129 S CB -0.082 63.116 63.200 -0.004 0.000 0.818 129 S HN 0.600 nan 8.310 nan 0.000 0.535 130 R N 2.351 122.850 120.500 -0.003 0.000 2.159 130 R HA 0.117 4.457 4.340 -0.000 0.000 0.237 130 R C 2.022 178.319 176.300 -0.006 0.000 1.131 130 R CA 1.265 57.361 56.100 -0.006 0.000 0.982 130 R CB -0.551 29.747 30.300 -0.004 0.000 0.868 130 R HN 0.328 nan 8.270 nan 0.000 0.453 131 A N 1.506 124.325 122.820 -0.001 0.000 2.066 131 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 131 A C 1.955 179.527 177.584 -0.021 0.000 1.157 131 A CA 0.754 52.792 52.037 0.001 0.000 0.670 131 A CB -0.262 18.743 19.000 0.008 0.000 0.804 131 A HN 0.408 nan 8.150 nan 0.000 0.453 132 Q N -0.399 119.387 119.800 -0.024 0.000 2.197 132 Q HA -0.180 4.160 4.340 -0.000 0.000 0.207 132 Q C 2.223 178.198 176.000 -0.042 0.000 0.984 132 Q CA 1.550 57.333 55.803 -0.034 0.000 0.869 132 Q CB -0.397 28.326 28.738 -0.025 0.000 0.906 132 Q HN 0.638 nan 8.270 nan 0.000 0.426 133 S N 0.283 115.961 115.700 -0.036 0.000 2.420 133 S HA -0.132 4.338 4.470 -0.000 0.000 0.237 133 S C 1.397 175.961 174.600 -0.061 0.000 1.023 133 S CA 1.168 59.343 58.200 -0.041 0.000 0.991 133 S CB 0.060 63.242 63.200 -0.030 0.000 0.792 133 S HN 0.342 nan 8.310 nan 0.000 0.488 134 M N 1.002 120.564 119.600 -0.063 0.000 2.589 134 M HA 0.373 4.853 4.480 -0.000 0.000 0.344 134 M C -0.640 175.558 176.300 -0.171 0.000 1.168 134 M CA -0.188 55.052 55.300 -0.099 0.000 0.956 134 M CB 0.973 33.571 32.600 -0.004 0.000 1.370 134 M HN -0.064 nan 8.290 nan 0.000 0.518 135 D N 1.760 122.071 120.400 -0.148 0.000 2.339 135 D HA 0.193 4.833 4.640 -0.000 0.000 0.241 135 D C 0.983 177.158 176.300 -0.208 0.000 1.183 135 D CA -0.078 53.824 54.000 -0.165 0.000 0.859 135 D CB 0.952 41.689 40.800 -0.104 0.000 1.067 135 D HN 0.482 nan 8.370 nan 0.000 0.484 136 I N 0.872 121.269 120.570 -0.289 0.000 2.716 136 I HA -0.064 4.106 4.170 -0.000 0.000 0.259 136 I C 1.442 177.476 176.117 -0.137 0.000 1.172 136 I CA 0.156 61.259 61.300 -0.328 0.000 1.478 136 I CB -0.020 37.652 38.000 -0.546 0.000 1.104 136 I HN 0.168 nan 8.210 nan 0.000 0.439 137 L N 1.927 123.081 121.223 -0.116 0.000 2.046 137 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 137 L C 2.892 179.752 176.870 -0.016 0.000 1.077 137 L CA 2.331 57.146 54.840 -0.042 0.000 0.747 137 L CB -1.008 41.016 42.059 -0.058 0.000 0.896 137 L HN 0.533 nan 8.230 nan 0.000 0.432 138 S N -1.985 113.693 115.700 -0.036 0.000 2.458 138 S HA -0.077 4.393 4.470 -0.000 0.000 0.223 138 S C 2.065 176.657 174.600 -0.013 0.000 1.019 138 S CA 0.507 58.697 58.200 -0.017 0.000 0.937 138 S CB -0.576 62.611 63.200 -0.023 0.000 0.788 138 S HN 0.481 nan 8.310 nan 0.000 0.511 139 S N 1.469 117.151 115.700 -0.031 0.000 2.402 139 S HA -0.071 4.399 4.470 -0.000 0.000 0.229 139 S C 1.939 176.547 174.600 0.013 0.000 1.021 139 S CA 0.545 58.733 58.200 -0.020 0.000 0.974 139 S CB -0.410 62.763 63.200 -0.046 0.000 0.800 139 S HN 0.428 nan 8.310 nan 0.000 0.484 140 Q N 1.221 121.043 119.800 0.038 0.000 2.107 140 Q HA 0.192 4.532 4.340 -0.000 0.000 0.195 140 Q C 2.369 178.403 176.000 0.056 0.000 0.964 140 Q CA 1.309 57.154 55.803 0.070 0.000 0.833 140 Q CB -1.226 27.586 28.738 0.125 0.000 0.910 140 Q HN 0.594 nan 8.270 nan 0.000 0.465 141 S N 1.246 116.976 115.700 0.051 0.000 2.584 141 S HA -0.103 4.366 4.470 -0.000 0.000 0.240 141 S C 1.489 176.118 174.600 0.049 0.000 0.975 141 S CA 0.811 59.042 58.200 0.050 0.000 0.949 141 S CB -0.224 63.003 63.200 0.044 0.000 0.761 141 S HN 0.397 nan 8.310 nan 0.000 0.536 142 N N 0.553 119.277 118.700 0.040 0.000 2.124 142 N HA 0.007 4.747 4.740 -0.000 0.000 0.188 142 N C 1.767 177.315 175.510 0.063 0.000 1.045 142 N CA 1.109 54.184 53.050 0.042 0.000 0.846 142 N CB -0.245 38.254 38.487 0.020 0.000 1.020 142 N HN 0.360 nan 8.380 nan 0.000 0.432 143 L N 1.258 122.508 121.223 0.044 0.000 2.081 143 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 143 L C 2.750 179.702 176.870 0.136 0.000 1.080 143 L CA 1.308 56.182 54.840 0.057 0.000 0.754 143 L CB -0.737 41.321 42.059 -0.001 0.000 0.893 143 L HN 0.293 nan 8.230 nan 0.000 0.433 144 A N 0.717 123.595 122.820 0.096 0.000 1.873 144 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 144 A C 2.453 180.103 177.584 0.110 0.000 1.193 144 A CA 2.137 54.231 52.037 0.096 0.000 0.629 144 A CB -1.465 17.578 19.000 0.072 0.000 0.826 144 A HN 0.457 nan 8.150 nan 0.000 0.447 145 G N -1.550 107.312 108.800 0.103 0.000 2.476 145 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 145 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 145 G C 1.541 176.511 174.900 0.117 0.000 1.164 145 G CA 1.496 46.653 45.100 0.096 0.000 0.768 145 G HN 0.706 nan 8.290 nan 0.000 0.560 146 Y N 1.291 121.599 120.300 0.014 0.000 2.049 146 Y HA -0.158 4.392 4.550 -0.000 0.000 0.277 146 Y C 3.009 178.910 175.900 0.002 0.000 1.143 146 Y CA 2.294 60.397 58.100 0.005 0.000 1.115 146 Y CB -0.283 38.176 38.460 -0.002 0.000 0.975 146 Y HN -0.016 nan 8.280 nan 0.000 0.487 147 R N 0.953 121.575 120.500 0.203 0.000 2.119 147 R HA -0.261 4.079 4.340 -0.000 0.000 0.246 147 R C 2.455 178.728 176.300 -0.044 0.000 1.146 147 R CA 1.423 57.548 56.100 0.041 0.000 0.962 147 R CB -1.434 28.951 30.300 0.142 0.000 0.863 147 R HN 0.631 nan 8.270 nan 0.000 0.442 148 A N 0.173 122.999 122.820 0.009 0.000 1.915 148 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 148 A C 2.501 180.071 177.584 -0.023 0.000 1.198 148 A CA 2.326 54.373 52.037 0.016 0.000 0.647 148 A CB -0.752 18.268 19.000 0.034 0.000 0.825 148 A HN 0.179 nan 8.150 nan 0.000 0.456 149 V N 0.470 120.331 119.914 -0.089 0.000 2.255 149 V HA -0.222 3.898 4.120 -0.000 0.000 0.243 149 V C 2.444 178.406 176.094 -0.220 0.000 1.038 149 V CA 1.651 63.874 62.300 -0.129 0.000 1.008 149 V CB -0.726 30.992 31.823 -0.176 0.000 0.645 149 V HN 0.534 nan 8.190 nan 0.000 0.449 150 I N 0.497 120.859 120.570 -0.346 0.000 2.185 150 I HA -0.301 3.869 4.170 -0.000 0.000 0.246 150 I C 2.273 178.333 176.117 -0.095 0.000 1.088 150 I CA 2.064 63.186 61.300 -0.297 0.000 1.347 150 I CB -1.168 36.608 38.000 -0.374 0.000 1.041 150 I HN 0.450 nan 8.210 nan 0.000 0.415 151 D N 0.385 120.763 120.400 -0.037 0.000 2.194 151 D HA -0.054 4.586 4.640 -0.000 0.000 0.204 151 D C 2.192 178.571 176.300 0.131 0.000 0.964 151 D CA 1.349 55.396 54.000 0.078 0.000 0.846 151 D CB 0.010 40.887 40.800 0.129 0.000 0.962 151 D HN 0.392 nan 8.370 nan 0.000 0.490 152 G N 1.140 109.983 108.800 0.072 0.000 2.408 152 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 152 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 152 G C 1.727 176.723 174.900 0.160 0.000 1.150 152 G CA 0.926 46.084 45.100 0.096 0.000 0.776 152 G HN 0.316 nan 8.290 nan 0.000 0.542 153 A N 0.092 122.967 122.820 0.091 0.000 1.902 153 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 153 A C 2.180 179.896 177.584 0.220 0.000 1.181 153 A CA 1.660 53.763 52.037 0.111 0.000 0.623 153 A CB -0.747 18.036 19.000 -0.362 0.000 0.818 153 A HN 0.428 nan 8.150 nan 0.000 0.443 154 Y N 1.096 121.425 120.300 0.047 0.000 2.114 154 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 154 Y C 1.887 177.854 175.900 0.112 0.000 1.165 154 Y CA 2.229 60.366 58.100 0.062 0.000 1.148 154 Y CB 0.008 38.491 38.460 0.038 0.000 0.972 154 Y HN 0.340 nan 8.280 nan 0.000 0.504 155 E N -0.395 119.948 120.200 0.238 0.000 2.512 155 E HA -0.059 4.291 4.350 -0.000 0.000 0.195 155 E C -0.659 176.067 176.600 0.210 0.000 1.083 155 E CA 0.183 56.681 56.400 0.162 0.000 0.873 155 E CB -0.547 29.266 29.700 0.189 0.000 0.897 155 E HN 0.231 nan 8.360 nan 0.000 0.514 156 F N 0.553 120.525 119.950 0.036 0.000 2.436 156 F HA 0.473 5.000 4.527 -0.000 0.000 0.340 156 F C 1.016 176.825 175.800 0.015 0.000 1.113 156 F CA -1.050 56.981 58.000 0.052 0.000 1.022 156 F CB 1.249 40.334 39.000 0.143 0.000 1.128 156 F HN -0.118 nan 8.300 nan 0.000 0.466 157 A N 6.703 129.287 122.820 -0.393 0.000 1.822 157 A HA 0.022 4.342 4.320 -0.000 0.000 0.214 157 A C 1.034 178.297 177.584 -0.534 0.000 1.245 157 A CA 0.476 52.276 52.037 -0.394 0.000 0.608 157 A CB -0.668 18.128 19.000 -0.340 0.000 0.896 157 A HN 0.760 nan 8.150 nan 0.000 0.457 158 R N -0.209 119.784 120.500 -0.844 0.000 2.598 158 R HA 0.161 4.501 4.340 -0.000 0.000 0.266 158 R C 0.343 176.527 176.300 -0.195 0.000 0.977 158 R CA 0.190 55.953 56.100 -0.562 0.000 1.097 158 R CB -0.131 29.808 30.300 -0.602 0.000 0.911 158 R HN 0.597 nan 8.270 nan 0.000 0.419 159 A N 2.318 125.144 122.820 0.010 0.000 2.351 159 A HA 0.201 4.521 4.320 -0.000 0.000 0.257 159 A C 0.451 178.223 177.584 0.314 0.000 1.087 159 A CA -0.415 51.729 52.037 0.178 0.000 0.798 159 A CB 0.215 19.277 19.000 0.103 0.000 1.033 159 A HN 0.679 nan 8.150 nan 0.000 0.488 160 F N 1.721 121.754 119.950 0.139 0.000 2.037 160 F HA 0.060 4.587 4.527 -0.000 0.000 0.291 160 F C -0.814 175.032 175.800 0.076 0.000 1.137 160 F CA 0.871 58.946 58.000 0.125 0.000 1.178 160 F CB -0.836 38.212 39.000 0.080 0.000 0.995 160 F HN 0.361 nan 8.300 nan 0.000 0.472 161 P HA -0.068 nan 4.420 nan 0.000 0.271 161 P C -0.551 176.800 177.300 0.085 0.000 1.233 161 P CA -0.052 63.131 63.100 0.138 0.000 0.789 161 P CB 0.518 32.289 31.700 0.119 0.000 0.951 162 M N 2.344 121.977 119.600 0.056 0.000 2.108 162 M HA 0.359 4.839 4.480 -0.000 0.000 0.354 162 M C -0.904 175.417 176.300 0.034 0.000 1.229 162 M CA -0.221 55.100 55.300 0.036 0.000 1.081 162 M CB 0.151 32.765 32.600 0.024 0.000 1.606 162 M HN 0.212 nan 8.290 nan 0.000 0.467 163 M N 4.723 124.340 119.600 0.029 0.000 2.436 163 M HA 0.456 4.936 4.480 -0.000 0.000 0.331 163 M C -1.056 175.254 176.300 0.016 0.000 1.135 163 M CA -0.801 54.514 55.300 0.024 0.000 0.987 163 M CB 2.148 34.763 32.600 0.026 0.000 1.687 163 M HN 0.663 nan 8.290 nan 0.000 0.445 164 M N 2.927 122.536 119.600 0.015 0.000 2.084 164 M HA 0.359 4.839 4.480 -0.000 0.000 0.351 164 M C -0.290 176.015 176.300 0.009 0.000 1.240 164 M CA -0.034 55.272 55.300 0.011 0.000 1.083 164 M CB 0.860 33.467 32.600 0.010 0.000 1.593 164 M HN 0.733 nan 8.290 nan 0.000 0.463 165 T N 0.704 115.262 114.554 0.006 0.000 2.933 165 T HA 0.726 5.076 4.350 -0.000 0.000 0.305 165 T C 0.774 175.475 174.700 0.002 0.000 1.092 165 T CA -0.492 61.611 62.100 0.004 0.000 1.008 165 T CB 1.395 70.265 68.868 0.004 0.000 1.102 165 T HN 0.572 nan 8.240 nan 0.000 0.469 166 A N 1.838 124.659 122.820 0.002 0.000 2.042 166 A HA 0.161 4.481 4.320 -0.000 0.000 0.222 166 A C 2.284 179.868 177.584 -0.000 0.000 1.167 166 A CA 1.970 54.007 52.037 0.001 0.000 0.649 166 A CB -1.192 17.808 19.000 0.001 0.000 0.809 166 A HN 1.531 nan 8.150 nan 0.000 0.457 167 A N -1.946 120.873 122.820 -0.001 0.000 2.238 167 A HA 0.479 4.799 4.320 -0.000 0.000 0.208 167 A C 1.392 178.974 177.584 -0.003 0.000 1.177 167 A CA 1.341 53.376 52.037 -0.003 0.000 0.804 167 A CB -0.872 18.125 19.000 -0.004 0.000 0.823 167 A HN 1.995 nan 8.150 nan 0.000 0.482 168 G N -1.809 106.990 108.800 -0.001 0.000 2.301 168 G HA2 0.223 4.183 3.960 -0.000 0.000 0.194 168 G HA3 0.223 4.183 3.960 -0.000 0.000 0.194 168 G C -0.140 174.760 174.900 0.000 0.000 1.266 168 G CA 0.012 45.112 45.100 -0.001 0.000 1.210 168 G HN 1.037 nan 8.290 nan 0.000 0.524 169 T N -0.836 113.718 114.554 0.000 0.000 2.861 169 T HA 0.598 4.948 4.350 -0.000 0.000 0.287 169 T C -0.812 173.889 174.700 0.001 0.000 1.003 169 T CA -0.067 62.035 62.100 0.002 0.000 0.977 169 T CB 1.596 70.466 68.868 0.003 0.000 0.996 169 T HN 1.191 nan 8.240 nan 0.000 0.448 170 V N 8.493 128.410 119.914 0.005 0.000 2.350 170 V HA 0.459 4.579 4.120 -0.000 0.000 0.276 170 V C -1.804 174.296 176.094 0.010 0.000 1.028 170 V CA -1.697 60.606 62.300 0.005 0.000 0.860 170 V CB 1.231 33.060 31.823 0.010 0.000 0.990 170 V HN 0.773 nan 8.190 nan 0.000 0.453 171 P HA 0.317 nan 4.420 nan 0.000 0.274 171 P C -2.675 174.632 177.300 0.010 0.000 1.246 171 P CA -1.477 61.626 63.100 0.005 0.000 0.795 171 P CB 0.526 32.226 31.700 0.000 0.000 1.006 172 P HA 0.231 nan 4.420 nan 0.000 0.279 172 P C -0.813 176.459 177.300 -0.047 0.000 1.276 172 P CA -0.380 62.714 63.100 -0.010 0.000 0.801 172 P CB 0.571 32.262 31.700 -0.015 0.000 1.127 173 A N 1.274 124.009 122.820 -0.142 0.000 2.306 173 A HA 0.460 4.780 4.320 -0.000 0.000 0.314 173 A C 0.137 177.534 177.584 -0.312 0.000 1.164 173 A CA -0.745 51.130 52.037 -0.271 0.000 0.822 173 A CB 0.277 18.878 19.000 -0.664 0.000 1.130 173 A HN 0.412 nan 8.150 nan 0.000 0.496 174 R N 1.755 122.102 120.500 -0.256 0.000 2.215 174 R HA 0.461 4.801 4.340 -0.000 0.000 0.336 174 R C -1.026 175.124 176.300 -0.250 0.000 0.996 174 R CA -0.380 55.596 56.100 -0.206 0.000 0.847 174 R CB 1.281 31.505 30.300 -0.127 0.000 1.127 174 R HN 0.476 nan 8.270 nan 0.000 0.465 175 V N 4.558 124.334 119.914 -0.229 0.000 2.716 175 V HA 0.441 4.561 4.120 -0.000 0.000 0.304 175 V C -0.022 175.986 176.094 -0.143 0.000 1.053 175 V CA -0.800 61.390 62.300 -0.183 0.000 0.984 175 V CB 1.900 33.654 31.823 -0.114 0.000 1.021 175 V HN 0.608 nan 8.190 nan 0.000 0.467 176 L N 3.869 125.011 121.223 -0.135 0.000 2.482 176 L HA 0.585 4.925 4.340 -0.000 0.000 0.269 176 L C -1.385 175.358 176.870 -0.212 0.000 0.967 176 L CA -0.393 54.322 54.840 -0.209 0.000 0.851 176 L CB 1.886 43.810 42.059 -0.224 0.000 1.242 176 L HN 0.441 nan 8.230 nan 0.000 0.404 177 V N 5.055 124.823 119.914 -0.244 0.000 2.398 177 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 177 V C -0.368 175.567 176.094 -0.265 0.000 1.026 177 V CA -0.241 61.972 62.300 -0.144 0.000 0.868 177 V CB 1.528 33.318 31.823 -0.055 0.000 0.982 177 V HN 0.450 nan 8.190 nan 0.000 0.443 178 F N 2.636 122.564 119.950 -0.035 0.000 2.408 178 F HA 0.683 5.210 4.527 -0.000 0.000 0.344 178 F C 0.932 176.725 175.800 -0.012 0.000 1.112 178 F CA 0.169 58.146 58.000 -0.038 0.000 1.096 178 F CB 1.529 40.504 39.000 -0.041 0.000 1.129 178 F HN 0.756 nan 8.300 nan 0.000 0.486 179 G N 2.078 110.971 108.800 0.155 0.000 3.391 179 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.675 179 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.675 179 G C -1.208 173.743 174.900 0.086 0.000 0.899 179 G CA -0.999 44.171 45.100 0.116 0.000 0.755 179 G HN 0.679 nan 8.290 nan 0.000 0.475 180 V N 3.991 123.957 119.914 0.088 0.000 2.217 180 V HA 0.703 4.823 4.120 -0.000 0.000 0.264 180 V C 1.225 177.357 176.094 0.062 0.000 1.107 180 V CA 0.530 62.877 62.300 0.079 0.000 0.913 180 V CB 0.370 32.257 31.823 0.107 0.000 1.153 180 V HN 1.331 nan 8.190 nan 0.000 0.469 181 G N 1.600 110.433 108.800 0.055 0.000 3.108 181 G HA2 0.490 4.450 3.960 -0.000 0.000 0.268 181 G HA3 0.490 4.450 3.960 -0.000 0.000 0.268 181 G C 0.788 175.712 174.900 0.039 0.000 1.361 181 G CA -0.323 44.803 45.100 0.043 0.000 1.047 181 G HN 0.117 nan 8.290 nan 0.000 0.540 182 V N 0.920 120.853 119.914 0.032 0.000 2.278 182 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 182 V C 3.280 179.398 176.094 0.040 0.000 1.062 182 V CA 3.023 65.341 62.300 0.030 0.000 1.038 182 V CB -1.203 30.633 31.823 0.021 0.000 0.646 182 V HN 0.834 nan 8.190 nan 0.000 0.447 183 A N 0.415 123.262 122.820 0.045 0.000 1.834 183 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 183 A C 2.496 180.114 177.584 0.057 0.000 1.203 183 A CA 2.250 54.319 52.037 0.054 0.000 0.621 183 A CB -1.605 17.427 19.000 0.055 0.000 0.841 183 A HN 0.544 nan 8.150 nan 0.000 0.446 184 G N -0.157 108.677 108.800 0.056 0.000 2.574 184 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 184 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 184 G C 1.585 176.514 174.900 0.049 0.000 1.173 184 G CA 1.327 46.460 45.100 0.054 0.000 0.772 184 G HN 0.440 nan 8.290 nan 0.000 0.585 185 L N -0.302 120.950 121.223 0.048 0.000 1.990 185 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 185 L C 3.010 179.910 176.870 0.049 0.000 1.072 185 L CA 1.893 56.760 54.840 0.045 0.000 0.755 185 L CB -0.560 41.522 42.059 0.039 0.000 0.889 185 L HN 0.273 nan 8.230 nan 0.000 0.432 186 Q N -0.132 119.702 119.800 0.057 0.000 2.096 186 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 186 Q C 2.068 178.113 176.000 0.075 0.000 0.982 186 Q CA 2.049 57.896 55.803 0.074 0.000 0.850 186 Q CB -0.324 28.469 28.738 0.091 0.000 0.901 186 Q HN 0.477 nan 8.270 nan 0.000 0.422 187 A N 0.587 123.445 122.820 0.064 0.000 1.836 187 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 187 A C 2.060 179.673 177.584 0.047 0.000 1.214 187 A CA 1.953 54.019 52.037 0.049 0.000 0.636 187 A CB -1.278 17.749 19.000 0.045 0.000 0.847 187 A HN 0.488 nan 8.150 nan 0.000 0.451 188 I N -0.359 120.235 120.570 0.040 0.000 2.203 188 I HA -0.455 3.715 4.170 -0.000 0.000 0.237 188 I C 2.938 179.083 176.117 0.046 0.000 0.993 188 I CA 1.887 63.208 61.300 0.035 0.000 1.277 188 I CB -0.832 37.185 38.000 0.030 0.000 0.984 188 I HN 0.494 nan 8.210 nan 0.000 0.402 189 A N 1.054 123.903 122.820 0.049 0.000 1.848 189 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 189 A C 2.452 180.072 177.584 0.060 0.000 1.220 189 A CA 3.723 55.792 52.037 0.053 0.000 0.645 189 A CB -1.619 17.414 19.000 0.055 0.000 0.842 189 A HN 0.604 nan 8.150 nan 0.000 0.451 190 T N -1.363 113.230 114.554 0.066 0.000 2.699 190 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 190 T C 1.955 176.679 174.700 0.040 0.000 1.036 190 T CA 2.502 64.632 62.100 0.051 0.000 1.147 190 T CB -1.022 67.867 68.868 0.036 0.000 0.862 190 T HN 0.893 nan 8.240 nan 0.000 0.446 191 A N 2.257 125.116 122.820 0.066 0.000 1.873 191 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 191 A C 2.402 180.096 177.584 0.184 0.000 1.193 191 A CA 2.371 54.511 52.037 0.171 0.000 0.629 191 A CB -0.868 18.229 19.000 0.161 0.000 0.826 191 A HN 0.645 nan 8.150 nan 0.000 0.447 192 K N -0.066 120.397 120.400 0.105 0.000 2.001 192 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 192 K C 2.313 178.964 176.600 0.085 0.000 1.048 192 K CA 1.373 57.710 56.287 0.084 0.000 0.932 192 K CB -0.281 32.250 32.500 0.052 0.000 0.715 192 K HN 0.579 nan 8.250 nan 0.000 0.437 193 R N 0.819 121.361 120.500 0.070 0.000 2.261 193 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 193 R C 1.938 178.279 176.300 0.069 0.000 1.141 193 R CA 1.231 57.368 56.100 0.061 0.000 1.001 193 R CB -0.511 29.821 30.300 0.053 0.000 0.866 193 R HN 0.292 nan 8.270 nan 0.000 0.468 194 L N -0.287 120.993 121.223 0.095 0.000 2.341 194 L HA 0.123 4.463 4.340 -0.000 0.000 0.214 194 L C 1.104 178.083 176.870 0.180 0.000 1.115 194 L CA 1.249 56.155 54.840 0.110 0.000 0.820 194 L CB 0.096 42.201 42.059 0.076 0.000 0.944 194 L HN 0.734 nan 8.230 nan 0.000 0.452 195 G N -1.093 107.811 108.800 0.173 0.000 2.227 195 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.168 195 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.168 195 G C 0.328 175.289 174.900 0.102 0.000 1.006 195 G CA -0.045 45.134 45.100 0.131 0.000 0.684 195 G HN 0.480 nan 8.290 nan 0.000 0.489 196 A N -0.199 122.697 122.820 0.127 0.000 2.313 196 A HA 0.693 5.013 4.320 -0.000 0.000 0.261 196 A C 0.579 178.145 177.584 -0.030 0.000 1.090 196 A CA 0.223 52.235 52.037 -0.041 0.000 0.807 196 A CB 1.070 19.994 19.000 -0.127 0.000 1.055 196 A HN 1.021 nan 8.150 nan 0.000 0.492 197 V N 2.809 122.677 119.914 -0.078 0.000 2.258 197 V HA 0.160 4.279 4.120 -0.000 0.000 0.258 197 V C -0.006 176.047 176.094 -0.068 0.000 1.121 197 V CA -0.214 62.053 62.300 -0.054 0.000 0.942 197 V CB 0.178 31.966 31.823 -0.057 0.000 1.170 197 V HN 0.577 nan 8.190 nan 0.000 0.487 198 V N 5.692 125.581 119.914 -0.041 0.000 2.715 198 V HA 0.361 4.481 4.120 -0.000 0.000 0.299 198 V C 0.084 176.144 176.094 -0.057 0.000 1.054 198 V CA 0.016 62.288 62.300 -0.045 0.000 1.077 198 V CB 1.229 33.046 31.823 -0.009 0.000 0.972 198 V HN 0.847 nan 8.190 nan 0.000 0.484 199 M N 3.912 123.457 119.600 -0.092 0.000 2.255 199 M HA 0.678 5.158 4.480 -0.000 0.000 0.275 199 M C -0.738 175.448 176.300 -0.191 0.000 1.050 199 M CA -0.134 55.093 55.300 -0.121 0.000 0.978 199 M CB 1.663 34.181 32.600 -0.136 0.000 1.761 199 M HN 0.812 nan 8.290 nan 0.000 0.479 200 A N 2.305 125.018 122.820 -0.178 0.000 2.288 200 A HA 0.980 5.300 4.320 -0.000 0.000 0.328 200 A C -0.685 176.627 177.584 -0.455 0.000 1.123 200 A CA -0.577 51.313 52.037 -0.246 0.000 0.861 200 A CB 1.876 20.832 19.000 -0.073 0.000 1.272 200 A HN 0.716 nan 8.150 nan 0.000 0.490 201 T N -0.257 114.014 114.554 -0.472 0.000 3.041 201 T HA 0.537 4.887 4.350 -0.000 0.000 0.321 201 T C -2.270 172.309 174.700 -0.201 0.000 1.184 201 T CA -0.513 61.224 62.100 -0.605 0.000 1.050 201 T CB 1.399 69.918 68.868 -0.582 0.000 1.159 201 T HN 0.776 nan 8.240 nan 0.000 0.469 202 D N 2.030 122.424 120.400 -0.010 0.000 2.661 202 D HA 0.307 4.946 4.640 -0.000 0.000 0.228 202 D C 1.500 177.915 176.300 0.191 0.000 1.210 202 D CA -0.339 53.757 54.000 0.159 0.000 0.826 202 D CB 2.307 43.250 40.800 0.240 0.000 1.542 202 D HN 0.441 nan 8.370 nan 0.000 0.447 203 V N 1.059 121.043 119.914 0.116 0.000 2.548 203 V HA 0.114 4.234 4.120 -0.000 0.000 0.249 203 V C 0.925 177.085 176.094 0.110 0.000 1.055 203 V CA 0.775 63.126 62.300 0.084 0.000 1.065 203 V CB -0.607 31.245 31.823 0.048 0.000 0.681 203 V HN 0.350 nan 8.190 nan 0.000 0.462 204 R N 1.269 121.835 120.500 0.109 0.000 2.272 204 R HA 0.584 4.924 4.340 -0.000 0.000 0.334 204 R C 1.013 177.348 176.300 0.058 0.000 1.117 204 R CA 0.437 56.581 56.100 0.074 0.000 0.966 204 R CB 0.875 31.204 30.300 0.049 0.000 1.049 204 R HN 0.408 nan 8.270 nan 0.000 0.477 205 A N 2.845 125.685 122.820 0.033 0.000 2.255 205 A HA -0.021 4.299 4.320 -0.000 0.000 0.206 205 A C 1.880 179.326 177.584 -0.230 0.000 1.193 205 A CA 1.036 52.993 52.037 -0.132 0.000 0.794 205 A CB -0.149 18.832 19.000 -0.032 0.000 0.794 205 A HN 0.804 nan 8.150 nan 0.000 0.481 206 A N -0.257 122.495 122.820 -0.114 0.000 2.119 206 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 206 A C 2.272 179.776 177.584 -0.132 0.000 1.153 206 A CA 1.847 53.822 52.037 -0.102 0.000 0.692 206 A CB -0.822 18.151 19.000 -0.044 0.000 0.799 206 A HN 0.701 nan 8.150 nan 0.000 0.458 207 T N -1.918 112.541 114.554 -0.158 0.000 3.014 207 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 207 T C 1.790 176.345 174.700 -0.243 0.000 1.078 207 T CA 1.279 63.308 62.100 -0.118 0.000 1.135 207 T CB -0.304 68.578 68.868 0.024 0.000 0.895 207 T HN 0.479 nan 8.240 nan 0.000 0.480 208 K N 1.589 121.574 120.400 -0.692 0.000 2.189 208 K HA -0.272 4.048 4.320 -0.000 0.000 0.207 208 K C 2.265 178.711 176.600 -0.257 0.000 1.046 208 K CA 2.057 57.862 56.287 -0.803 0.000 0.928 208 K CB -0.273 31.590 32.500 -1.061 0.000 0.720 208 K HN 0.658 nan 8.250 nan 0.000 0.458 209 E N -0.303 119.779 120.200 -0.197 0.000 2.158 209 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 209 E C 1.868 178.438 176.600 -0.050 0.000 0.982 209 E CA 0.684 57.026 56.400 -0.097 0.000 0.823 209 E CB 0.129 29.778 29.700 -0.085 0.000 0.766 209 E HN 0.503 nan 8.360 nan 0.000 0.468 210 Q N 0.136 119.909 119.800 -0.045 0.000 2.049 210 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 210 Q C 2.433 178.441 176.000 0.014 0.000 0.971 210 Q CA 1.268 57.065 55.803 -0.009 0.000 0.833 210 Q CB -0.017 28.720 28.738 -0.001 0.000 0.896 210 Q HN 0.198 nan 8.270 nan 0.000 0.434 211 V N 2.119 122.054 119.914 0.035 0.000 2.231 211 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 211 V C 2.115 178.240 176.094 0.051 0.000 1.054 211 V CA 2.158 64.501 62.300 0.073 0.000 1.015 211 V CB -0.639 31.287 31.823 0.171 0.000 0.638 211 V HN 0.383 nan 8.190 nan 0.000 0.444 212 E N 0.555 120.778 120.200 0.040 0.000 2.171 212 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 212 E C 2.234 178.844 176.600 0.017 0.000 0.997 212 E CA 1.631 58.048 56.400 0.028 0.000 0.810 212 E CB -0.278 29.430 29.700 0.012 0.000 0.738 212 E HN 0.766 nan 8.360 nan 0.000 0.467 213 S N 0.237 115.944 115.700 0.011 0.000 2.515 213 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 213 S C 1.588 176.197 174.600 0.015 0.000 0.987 213 S CA 0.458 58.663 58.200 0.009 0.000 0.936 213 S CB -0.011 63.191 63.200 0.003 0.000 0.766 213 S HN 0.179 nan 8.310 nan 0.000 0.528 214 L N 0.703 121.939 121.223 0.022 0.000 2.818 214 L HA 0.402 4.742 4.340 -0.000 0.000 0.243 214 L C 1.654 178.540 176.870 0.026 0.000 1.185 214 L CA 0.237 55.092 54.840 0.025 0.000 0.988 214 L CB -0.016 42.061 42.059 0.030 0.000 1.292 214 L HN 0.553 nan 8.230 nan 0.000 0.519 215 G N -0.252 108.562 108.800 0.023 0.000 2.179 215 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 215 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 215 G C 0.718 175.631 174.900 0.022 0.000 0.977 215 G CA 0.035 45.148 45.100 0.022 0.000 0.641 215 G HN 0.516 nan 8.290 nan 0.000 0.533 216 G N -0.533 108.283 108.800 0.028 0.000 2.631 216 G HA2 0.491 4.451 3.960 -0.000 0.000 0.271 216 G HA3 0.491 4.451 3.960 -0.000 0.000 0.271 216 G C -0.089 174.832 174.900 0.036 0.000 1.302 216 G CA 0.583 45.699 45.100 0.027 0.000 1.002 216 G HN 0.766 nan 8.290 nan 0.000 0.519 217 K N -0.901 119.518 120.400 0.032 0.000 2.601 217 K HA 0.426 4.746 4.320 -0.000 0.000 0.249 217 K C -1.262 175.371 176.600 0.055 0.000 0.966 217 K CA -0.714 55.600 56.287 0.044 0.000 0.827 217 K CB 0.865 33.368 32.500 0.005 0.000 1.178 217 K HN 0.257 nan 8.250 nan 0.000 0.437 218 F N 4.203 124.128 119.950 -0.042 0.000 2.444 218 F HA 0.468 4.995 4.527 -0.000 0.000 0.331 218 F C -0.049 175.719 175.800 -0.053 0.000 1.167 218 F CA -0.304 57.666 58.000 -0.050 0.000 1.262 218 F CB 0.569 39.551 39.000 -0.030 0.000 1.196 218 F HN 0.430 nan 8.300 nan 0.000 0.583 219 I N 3.493 123.639 120.570 -0.708 0.000 2.377 219 I HA 0.445 4.615 4.170 -0.000 0.000 0.293 219 I C -0.529 175.425 176.117 -0.271 0.000 0.987 219 I CA -0.154 60.904 61.300 -0.403 0.000 1.185 219 I CB 1.487 39.232 38.000 -0.426 0.000 1.341 219 I HN 0.727 nan 8.210 nan 0.000 0.455 243 F N 2.670 122.629 119.950 0.015 0.000 2.065 243 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 243 F C 1.902 177.714 175.800 0.020 0.000 1.112 243 F CA 1.488 59.500 58.000 0.019 0.000 1.212 243 F CB 0.287 39.302 39.000 0.024 0.000 0.975 243 F HN -0.037 nan 8.300 nan 0.000 0.476 244 R N 0.620 121.151 120.500 0.052 0.000 2.328 244 R HA -0.126 4.214 4.340 -0.000 0.000 0.207 244 R C 1.601 177.897 176.300 -0.007 0.000 1.056 244 R CA 0.711 56.763 56.100 -0.080 0.000 1.016 244 R CB -0.602 29.656 30.300 -0.071 0.000 0.872 244 R HN 0.159 nan 8.270 nan 0.000 0.471 245 K N 1.019 121.450 120.400 0.051 0.000 2.152 245 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 245 K C 0.991 177.614 176.600 0.038 0.000 1.048 245 K CA 1.609 57.922 56.287 0.043 0.000 0.933 245 K CB 0.214 32.749 32.500 0.059 0.000 0.721 245 K HN -0.059 nan 8.250 nan 0.000 0.447 246 K N -0.999 119.437 120.400 0.061 0.000 2.329 246 K HA 0.124 4.444 4.320 -0.000 0.000 0.198 246 K C 1.884 178.492 176.600 0.013 0.000 1.085 246 K CA 0.552 56.872 56.287 0.055 0.000 0.961 246 K CB -0.060 32.502 32.500 0.104 0.000 0.971 246 K HN 0.076 nan 8.250 nan 0.000 0.502 247 Q N 1.192 120.966 119.800 -0.043 0.000 1.993 247 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 247 Q C 1.780 177.722 176.000 -0.096 0.000 0.984 247 Q CA 2.215 57.933 55.803 -0.142 0.000 0.837 247 Q CB -0.500 28.005 28.738 -0.389 0.000 0.902 247 Q HN 0.249 nan 8.270 nan 0.000 0.423 248 A N -0.019 122.752 122.820 -0.082 0.000 2.186 248 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 248 A C 1.880 179.451 177.584 -0.021 0.000 1.159 248 A CA 1.695 53.707 52.037 -0.041 0.000 0.680 248 A CB -0.578 18.401 19.000 -0.035 0.000 0.787 248 A HN 0.641 nan 8.150 nan 0.000 0.467 249 E N -0.744 119.443 120.200 -0.021 0.000 2.132 249 E HA 0.150 4.500 4.350 -0.000 0.000 0.193 249 E C 2.119 178.710 176.600 -0.016 0.000 0.951 249 E CA 0.550 56.944 56.400 -0.011 0.000 0.843 249 E CB -0.131 29.569 29.700 -0.001 0.000 0.807 249 E HN 0.466 nan 8.360 nan 0.000 0.467 250 A N 0.952 123.758 122.820 -0.023 0.000 2.032 250 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 250 A C 2.284 179.839 177.584 -0.049 0.000 1.165 250 A CA 1.360 53.379 52.037 -0.031 0.000 0.645 250 A CB -0.651 18.328 19.000 -0.035 0.000 0.807 250 A HN 0.223 nan 8.150 nan 0.000 0.453 251 V N -0.081 119.804 119.914 -0.048 0.000 2.358 251 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 251 V C 2.464 178.551 176.094 -0.011 0.000 1.047 251 V CA 1.607 63.883 62.300 -0.039 0.000 1.035 251 V CB -0.699 31.139 31.823 0.026 0.000 0.658 251 V HN 0.578 nan 8.190 nan 0.000 0.452 252 L N 0.513 121.735 121.223 -0.001 0.000 1.978 252 L HA -0.256 4.084 4.340 -0.000 0.000 0.218 252 L C 2.550 179.414 176.870 -0.010 0.000 1.075 252 L CA 2.258 57.098 54.840 0.000 0.000 0.767 252 L CB -1.130 40.925 42.059 -0.005 0.000 0.890 252 L HN 0.381 nan 8.230 nan 0.000 0.434 253 K N -0.900 119.490 120.400 -0.018 0.000 2.228 253 K HA -0.218 4.102 4.320 -0.000 0.000 0.205 253 K C 1.837 178.418 176.600 -0.030 0.000 1.045 253 K CA 1.230 57.504 56.287 -0.022 0.000 0.931 253 K CB 0.033 32.520 32.500 -0.021 0.000 0.727 253 K HN 0.385 nan 8.250 nan 0.000 0.458 254 E N 0.571 120.746 120.200 -0.042 0.000 2.102 254 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 254 E C 1.932 178.504 176.600 -0.047 0.000 0.971 254 E CA 0.339 56.703 56.400 -0.060 0.000 0.821 254 E CB -0.114 29.525 29.700 -0.102 0.000 0.777 254 E HN 0.108 nan 8.360 nan 0.000 0.460 255 L N 0.884 122.095 121.223 -0.020 0.000 2.131 255 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 255 L C 2.041 178.911 176.870 0.001 0.000 1.092 255 L CA 1.059 55.905 54.840 0.011 0.000 0.759 255 L CB -0.200 41.897 42.059 0.064 0.000 0.903 255 L HN -0.102 nan 8.230 nan 0.000 0.435 256 V N -0.648 119.262 119.914 -0.006 0.000 2.913 256 V HA -0.199 3.921 4.120 -0.000 0.000 0.260 256 V C 1.705 177.794 176.094 -0.009 0.000 1.098 256 V CA 1.608 63.904 62.300 -0.007 0.000 1.121 256 V CB -0.837 30.981 31.823 -0.009 0.000 0.714 256 V HN 0.494 nan 8.190 nan 0.000 0.487 257 K N -0.443 119.946 120.400 -0.019 0.000 2.537 257 K HA 0.232 4.552 4.320 -0.000 0.000 0.206 257 K C 0.061 176.640 176.600 -0.035 0.000 1.041 257 K CA -0.055 56.219 56.287 -0.022 0.000 1.090 257 K CB 0.771 33.256 32.500 -0.026 0.000 0.833 257 K HN 0.312 nan 8.250 nan 0.000 0.493 258 T N 1.152 115.683 114.554 -0.038 0.000 2.837 258 T HA 0.144 4.494 4.350 -0.000 0.000 0.285 258 T C 0.304 174.958 174.700 -0.077 0.000 0.984 258 T CA -0.534 61.525 62.100 -0.068 0.000 1.049 258 T CB 1.684 70.517 68.868 -0.059 0.000 0.947 258 T HN 0.010 nan 8.240 nan 0.000 0.472 259 D N 0.946 121.248 120.400 -0.162 0.000 2.338 259 D HA 0.120 4.760 4.640 -0.000 0.000 0.224 259 D C 0.443 176.507 176.300 -0.392 0.000 0.967 259 D CA 0.695 54.541 54.000 -0.257 0.000 0.896 259 D CB 0.478 41.031 40.800 -0.411 0.000 1.028 259 D HN 0.319 nan 8.370 nan 0.000 0.493 260 I N 0.868 121.218 120.570 -0.367 0.000 2.465 260 I HA 0.482 4.652 4.170 -0.000 0.000 0.291 260 I C -0.425 175.631 176.117 -0.101 0.000 1.014 260 I CA -1.166 59.987 61.300 -0.244 0.000 1.093 260 I CB 1.536 39.401 38.000 -0.226 0.000 1.267 260 I HN -0.245 nan 8.210 nan 0.000 0.431 261 A N 7.951 130.758 122.820 -0.021 0.000 2.409 261 A HA 0.734 5.054 4.320 -0.000 0.000 0.300 261 A C -0.546 177.100 177.584 0.103 0.000 1.273 261 A CA -0.423 51.663 52.037 0.081 0.000 0.774 261 A CB 0.400 19.476 19.000 0.126 0.000 1.144 261 A HN 0.612 nan 8.150 nan 0.000 0.472 262 I N 3.169 123.812 120.570 0.121 0.000 2.321 262 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 262 I C 0.364 176.602 176.117 0.202 0.000 0.998 262 I CA -0.266 61.101 61.300 0.112 0.000 1.227 262 I CB 1.873 39.915 38.000 0.070 0.000 1.368 262 I HN 0.660 nan 8.210 nan 0.000 0.466 263 T N 0.663 115.303 114.554 0.143 0.000 2.797 263 T HA 0.442 4.792 4.350 -0.000 0.000 0.279 263 T C 0.420 175.170 174.700 0.083 0.000 0.991 263 T CA -0.540 61.641 62.100 0.135 0.000 0.979 263 T CB 1.602 70.450 68.868 -0.032 0.000 0.943 263 T HN 0.731 nan 8.240 nan 0.000 0.444 264 T N -1.315 113.298 114.554 0.099 0.000 3.262 264 T HA 0.513 4.863 4.350 -0.000 0.000 0.300 264 T C 0.671 175.406 174.700 0.058 0.000 0.959 264 T CA -0.103 62.037 62.100 0.068 0.000 0.936 264 T CB -0.176 68.735 68.868 0.071 0.000 1.169 264 T HN 0.995 nan 8.240 nan 0.000 0.532 265 A N 1.781 124.635 122.820 0.056 0.000 2.491 265 A HA 0.633 4.953 4.320 -0.000 0.000 0.261 265 A C -0.435 177.164 177.584 0.025 0.000 1.101 265 A CA -0.103 51.961 52.037 0.044 0.000 0.772 265 A CB -0.149 18.874 19.000 0.039 0.000 1.043 265 A HN 0.520 nan 8.150 nan 0.000 0.501 266 L N 4.233 125.473 121.223 0.028 0.000 2.491 266 L HA 0.487 4.826 4.340 -0.000 0.000 0.267 266 L C -0.799 176.085 176.870 0.022 0.000 0.971 266 L CA 0.024 54.878 54.840 0.023 0.000 0.857 266 L CB 1.554 43.630 42.059 0.027 0.000 1.226 266 L HN 0.624 nan 8.230 nan 0.000 0.408 267 I N 5.295 125.875 120.570 0.018 0.000 2.388 267 I HA 0.397 4.567 4.170 -0.000 0.000 0.281 267 I C -2.020 174.107 176.117 0.016 0.000 1.046 267 I CA -1.860 59.450 61.300 0.017 0.000 1.187 267 I CB 0.901 38.910 38.000 0.016 0.000 1.351 267 I HN 0.376 nan 8.210 nan 0.000 0.472 268 P HA -0.111 nan 4.420 nan 0.000 0.270 268 P C 1.208 178.519 177.300 0.018 0.000 1.181 268 P CA 1.090 64.202 63.100 0.019 0.000 0.767 268 P CB 0.444 32.154 31.700 0.016 0.000 0.799 269 G N -0.107 108.704 108.800 0.019 0.000 2.205 269 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.269 269 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.269 269 G C 0.098 175.007 174.900 0.015 0.000 0.977 269 G CA 0.581 45.692 45.100 0.018 0.000 0.652 269 G HN 0.563 nan 8.290 nan 0.000 0.539 270 K N -0.330 120.078 120.400 0.013 0.000 2.443 270 K HA 0.561 4.881 4.320 -0.000 0.000 0.251 270 K C -2.911 173.693 176.600 0.007 0.000 0.972 270 K CA -2.118 54.175 56.287 0.009 0.000 0.833 270 K CB 1.527 34.032 32.500 0.009 0.000 1.317 270 K HN -0.076 nan 8.250 nan 0.000 0.441 271 P HA 0.168 nan 4.420 nan 0.000 0.276 271 P C -0.786 176.511 177.300 -0.004 0.000 1.230 271 P CA -0.282 62.818 63.100 -0.002 0.000 0.776 271 P CB 0.552 32.249 31.700 -0.005 0.000 0.888 272 A N 5.919 128.735 122.820 -0.006 0.000 2.561 272 A HA 0.250 4.569 4.320 -0.000 0.000 0.234 272 A C -1.811 175.760 177.584 -0.021 0.000 1.055 272 A CA -0.665 51.366 52.037 -0.010 0.000 0.756 272 A CB -1.096 17.896 19.000 -0.013 0.000 0.986 272 A HN 0.439 nan 8.150 nan 0.000 0.505 273 P HA 0.180 nan 4.420 nan 0.000 0.275 273 P C -0.459 176.806 177.300 -0.058 0.000 1.227 273 P CA -0.177 62.904 63.100 -0.031 0.000 0.781 273 P CB 0.847 32.535 31.700 -0.020 0.000 0.906 274 V N 4.863 124.738 119.914 -0.065 0.000 2.479 274 V HA -0.024 4.096 4.120 -0.000 0.000 0.281 274 V C 1.694 177.705 176.094 -0.139 0.000 1.031 274 V CA 0.585 62.828 62.300 -0.096 0.000 1.038 274 V CB -0.010 31.768 31.823 -0.075 0.000 0.981 274 V HN 0.481 nan 8.190 nan 0.000 0.478 275 L N 5.700 126.781 121.223 -0.236 0.000 2.467 275 L HA 0.422 4.762 4.340 -0.000 0.000 0.213 275 L C 0.345 176.933 176.870 -0.470 0.000 1.053 275 L CA 0.514 55.112 54.840 -0.403 0.000 0.847 275 L CB 0.297 41.951 42.059 -0.674 0.000 1.075 275 L HN 0.419 nan 8.230 nan 0.000 0.479 276 I N 0.963 121.305 120.570 -0.380 0.000 2.466 276 I HA 0.202 4.372 4.170 -0.000 0.000 0.279 276 I C -0.275 175.753 176.117 -0.148 0.000 1.033 276 I CA -0.352 60.786 61.300 -0.270 0.000 1.123 276 I CB 1.693 39.522 38.000 -0.285 0.000 1.237 276 I HN 0.027 nan 8.210 nan 0.000 0.460 277 T N 0.240 114.731 114.554 -0.105 0.000 2.913 277 T HA 0.189 4.539 4.350 -0.000 0.000 0.287 277 T C 1.050 175.724 174.700 -0.043 0.000 1.008 277 T CA -0.635 61.425 62.100 -0.066 0.000 1.067 277 T CB 2.352 71.187 68.868 -0.055 0.000 0.996 277 T HN 0.684 nan 8.240 nan 0.000 0.513 278 E N 0.809 120.998 120.200 -0.018 0.000 2.086 278 E HA -0.350 4.000 4.350 -0.000 0.000 0.200 278 E C 1.917 178.495 176.600 -0.037 0.000 1.012 278 E CA 2.081 58.490 56.400 0.014 0.000 0.812 278 E CB -0.186 29.542 29.700 0.047 0.000 0.743 278 E HN 0.888 nan 8.360 nan 0.000 0.453 279 E N 0.351 120.522 120.200 -0.048 0.000 2.169 279 E HA -0.260 4.090 4.350 -0.000 0.000 0.202 279 E C 1.917 178.468 176.600 -0.081 0.000 1.016 279 E CA 2.402 58.760 56.400 -0.071 0.000 0.817 279 E CB -0.310 29.361 29.700 -0.049 0.000 0.736 279 E HN 0.453 nan 8.360 nan 0.000 0.462 280 M N 0.256 119.819 119.600 -0.061 0.000 2.248 280 M HA -0.020 4.460 4.480 -0.000 0.000 0.265 280 M C 2.370 178.642 176.300 -0.047 0.000 1.079 280 M CA 1.257 56.526 55.300 -0.051 0.000 1.150 280 M CB -0.136 32.438 32.600 -0.043 0.000 1.366 280 M HN 0.231 nan 8.290 nan 0.000 0.433 281 V N -1.322 118.573 119.914 -0.032 0.000 2.688 281 V HA -0.190 3.930 4.120 -0.000 0.000 0.256 281 V C 2.186 178.263 176.094 -0.028 0.000 1.084 281 V CA 2.143 64.449 62.300 0.010 0.000 1.103 281 V CB -2.125 29.752 31.823 0.090 0.000 0.688 281 V HN 0.618 nan 8.190 nan 0.000 0.480 282 T N -2.776 111.668 114.554 -0.183 0.000 2.942 282 T HA -0.001 4.349 4.350 -0.000 0.000 0.265 282 T C 1.702 176.318 174.700 -0.139 0.000 1.062 282 T CA 0.747 62.651 62.100 -0.328 0.000 1.139 282 T CB -0.336 68.221 68.868 -0.517 0.000 0.883 282 T HN 0.392 nan 8.240 nan 0.000 0.468 283 K N 0.450 120.795 120.400 -0.093 0.000 2.487 283 K HA 0.378 4.698 4.320 -0.000 0.000 0.192 283 K C 0.698 177.283 176.600 -0.025 0.000 1.027 283 K CA -0.096 56.160 56.287 -0.052 0.000 1.054 283 K CB -0.290 32.183 32.500 -0.044 0.000 0.824 283 K HN 0.500 nan 8.250 nan 0.000 0.510 284 M N 1.376 120.968 119.600 -0.014 0.000 2.283 284 M HA 0.084 4.563 4.480 -0.000 0.000 0.314 284 M C -0.300 176.010 176.300 0.016 0.000 1.153 284 M CA -0.380 54.923 55.300 0.006 0.000 1.084 284 M CB 0.824 33.434 32.600 0.018 0.000 1.468 284 M HN -0.099 nan 8.290 nan 0.000 0.474 285 K N 1.713 122.126 120.400 0.022 0.000 2.339 285 K HA 0.420 4.740 4.320 -0.000 0.000 0.286 285 K C -2.758 173.871 176.600 0.047 0.000 1.050 285 K CA -1.507 54.798 56.287 0.030 0.000 0.956 285 K CB -0.276 32.242 32.500 0.031 0.000 0.990 285 K HN 0.199 nan 8.250 nan 0.000 0.475 286 P HA -0.005 nan 4.420 nan 0.000 0.266 286 P C 0.717 178.056 177.300 0.064 0.000 1.195 286 P CA 0.843 63.974 63.100 0.052 0.000 0.768 286 P CB 0.927 32.651 31.700 0.039 0.000 0.838 287 G N 1.171 110.016 108.800 0.075 0.000 2.232 287 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.226 287 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.226 287 G C 0.478 175.493 174.900 0.191 0.000 0.996 287 G CA -0.029 45.130 45.100 0.098 0.000 0.626 287 G HN 0.569 nan 8.290 nan 0.000 0.509 288 S N -0.479 115.319 115.700 0.163 0.000 2.580 288 S HA 0.540 5.010 4.470 -0.000 0.000 0.266 288 S C 0.324 174.984 174.600 0.101 0.000 1.354 288 S CA 0.433 58.719 58.200 0.142 0.000 1.008 288 S CB 2.061 65.300 63.200 0.065 0.000 0.898 288 S HN 1.679 nan 8.310 nan 0.000 0.555 289 V N 1.491 121.423 119.914 0.031 0.000 2.925 289 V HA 0.707 4.827 4.120 -0.000 0.000 0.311 289 V C -1.442 174.647 176.094 -0.008 0.000 1.104 289 V CA -0.859 61.456 62.300 0.026 0.000 0.954 289 V CB 1.515 33.374 31.823 0.059 0.000 1.022 289 V HN 0.795 nan 8.190 nan 0.000 0.427 290 I N 6.320 126.890 120.570 -0.000 0.000 2.436 290 I HA 0.501 4.671 4.170 -0.000 0.000 0.289 290 I C -0.791 175.317 176.117 -0.015 0.000 1.010 290 I CA -0.680 60.618 61.300 -0.003 0.000 1.098 290 I CB 1.940 39.934 38.000 -0.009 0.000 1.266 290 I HN 0.421 nan 8.210 nan 0.000 0.434 291 I N 4.873 125.441 120.570 -0.003 0.000 2.321 291 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 291 I C -0.262 175.850 176.117 -0.008 0.000 0.998 291 I CA -0.051 61.241 61.300 -0.013 0.000 1.227 291 I CB 1.269 39.276 38.000 0.011 0.000 1.368 291 I HN 0.550 nan 8.210 nan 0.000 0.466 292 D N 7.220 127.602 120.400 -0.031 0.000 2.505 292 D HA 0.253 4.893 4.640 -0.000 0.000 0.242 292 D C 1.116 177.409 176.300 -0.011 0.000 1.136 292 D CA -0.318 53.666 54.000 -0.027 0.000 0.954 292 D CB 0.786 41.559 40.800 -0.045 0.000 1.002 292 D HN 0.415 nan 8.370 nan 0.000 0.512 293 L N 1.495 122.725 121.223 0.011 0.000 2.353 293 L HA -0.053 4.287 4.340 -0.000 0.000 0.220 293 L C 1.922 178.804 176.870 0.019 0.000 1.133 293 L CA 0.711 55.566 54.840 0.025 0.000 0.798 293 L CB -0.087 41.996 42.059 0.040 0.000 0.922 293 L HN 0.304 nan 8.230 nan 0.000 0.445 294 A N -0.927 121.897 122.820 0.007 0.000 2.415 294 A HA 0.112 4.432 4.320 -0.000 0.000 0.248 294 A C 2.000 179.581 177.584 -0.005 0.000 1.299 294 A CA 0.066 52.105 52.037 0.003 0.000 0.899 294 A CB -0.196 18.802 19.000 -0.004 0.000 0.997 294 A HN 0.124 nan 8.150 nan 0.000 0.506 295 V N 0.142 120.052 119.914 -0.007 0.000 2.278 295 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 295 V C 2.214 178.304 176.094 -0.006 0.000 1.062 295 V CA 2.970 65.263 62.300 -0.012 0.000 1.038 295 V CB -0.364 31.452 31.823 -0.013 0.000 0.646 295 V HN 0.769 nan 8.190 nan 0.000 0.447 296 E N 0.035 120.236 120.200 0.001 0.000 2.077 296 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 296 E C 1.766 178.366 176.600 0.000 0.000 0.989 296 E CA 1.324 57.725 56.400 0.001 0.000 0.800 296 E CB -0.353 29.349 29.700 0.004 0.000 0.746 296 E HN 0.672 nan 8.360 nan 0.000 0.452 297 A N -0.589 122.232 122.820 0.002 0.000 2.476 297 A HA 0.459 4.779 4.320 -0.000 0.000 0.263 297 A C 1.197 178.779 177.584 -0.004 0.000 1.342 297 A CA 0.671 52.709 52.037 0.002 0.000 0.926 297 A CB -0.374 18.631 19.000 0.008 0.000 1.019 297 A HN 0.340 nan 8.150 nan 0.000 0.515 298 G N -1.506 107.289 108.800 -0.009 0.000 2.561 298 G HA2 0.325 4.285 3.960 -0.000 0.000 0.203 298 G HA3 0.325 4.285 3.960 -0.000 0.000 0.203 298 G C 1.199 176.086 174.900 -0.022 0.000 1.101 298 G CA 0.423 45.514 45.100 -0.014 0.000 0.711 298 G HN 2.465 nan 8.290 nan 0.000 0.511 299 G N -0.277 108.508 108.800 -0.025 0.000 2.895 299 G HA2 0.040 4.000 3.960 -0.000 0.000 0.686 299 G HA3 0.040 4.000 3.960 -0.000 0.000 0.686 299 G C 0.039 174.906 174.900 -0.055 0.000 1.108 299 G CA 0.463 45.541 45.100 -0.037 0.000 0.761 299 G HN 1.145 nan 8.290 nan 0.000 0.611 300 N N -0.597 118.058 118.700 -0.076 0.000 2.575 300 N HA 0.191 4.931 4.740 -0.000 0.000 0.192 300 N C 0.373 175.796 175.510 -0.145 0.000 1.200 300 N CA 0.804 53.782 53.050 -0.120 0.000 0.897 300 N CB 0.341 38.733 38.487 -0.160 0.000 0.990 300 N HN 0.668 nan 8.380 nan 0.000 0.449 301 C N 0.995 120.233 119.300 -0.103 0.000 2.522 301 C HA 0.290 4.750 4.460 -0.000 0.000 0.344 301 C C -1.635 173.321 174.990 -0.057 0.000 1.104 301 C CA -1.827 57.136 59.018 -0.091 0.000 1.317 301 C CB 1.246 28.931 27.740 -0.091 0.000 1.896 301 C HN 0.211 nan 8.230 nan 0.000 0.443 302 P HA -0.113 nan 4.420 nan 0.000 0.226 302 P C 1.094 178.380 177.300 -0.022 0.000 1.146 302 P CA 1.343 64.425 63.100 -0.030 0.000 0.773 302 P CB 0.175 31.860 31.700 -0.024 0.000 0.772 303 L N -0.581 120.628 121.223 -0.022 0.000 2.416 303 L HA 0.065 4.405 4.340 -0.000 0.000 0.216 303 L C 1.445 178.298 176.870 -0.029 0.000 1.098 303 L CA 0.288 55.116 54.840 -0.020 0.000 0.840 303 L CB -0.736 41.317 42.059 -0.011 0.000 0.981 303 L HN 0.004 nan 8.230 nan 0.000 0.462 304 S N 1.065 116.745 115.700 -0.034 0.000 2.525 304 S HA 0.082 4.552 4.470 -0.000 0.000 0.285 304 S C -0.063 174.518 174.600 -0.032 0.000 1.283 304 S CA -0.291 57.885 58.200 -0.039 0.000 1.072 304 S CB 0.362 63.535 63.200 -0.045 0.000 0.867 304 S HN 0.227 nan 8.310 nan 0.000 0.492 305 E N 4.006 124.188 120.200 -0.030 0.000 2.158 305 E HA 0.356 4.706 4.350 -0.000 0.000 0.271 305 E C -2.601 173.989 176.600 -0.016 0.000 0.911 305 E CA -2.545 53.842 56.400 -0.021 0.000 0.767 305 E CB 1.271 30.960 29.700 -0.017 0.000 1.120 305 E HN 0.477 nan 8.360 nan 0.000 0.405 306 P HA -0.050 nan 4.420 nan 0.000 0.264 306 P C 0.656 177.964 177.300 0.015 0.000 1.183 306 P CA 0.919 64.021 63.100 0.003 0.000 0.763 306 P CB 0.687 32.388 31.700 0.002 0.000 0.807 307 G N 1.523 110.346 108.800 0.038 0.000 3.211 307 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.206 307 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.206 307 G C 0.127 175.085 174.900 0.098 0.000 1.418 307 G CA 0.267 45.405 45.100 0.063 0.000 0.958 307 G HN 0.689 nan 8.290 nan 0.000 0.567 308 K N 0.315 120.743 120.400 0.047 0.000 2.279 308 K HA 0.828 5.148 4.320 -0.000 0.000 0.238 308 K C -0.228 176.361 176.600 -0.017 0.000 1.084 308 K CA -1.013 55.302 56.287 0.046 0.000 0.885 308 K CB 0.954 33.479 32.500 0.043 0.000 1.319 308 K HN 0.339 nan 8.250 nan 0.000 0.494 309 I N 1.651 122.216 120.570 -0.008 0.000 2.371 309 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 309 I C -0.410 175.696 176.117 -0.018 0.000 1.028 309 I CA -0.971 60.309 61.300 -0.032 0.000 1.345 309 I CB 1.305 39.305 38.000 0.000 0.000 1.407 309 I HN 0.005 nan 8.210 nan 0.000 0.501 310 V N 7.475 127.370 119.914 -0.031 0.000 2.483 310 V HA 0.364 4.484 4.120 -0.000 0.000 0.295 310 V C -0.014 176.061 176.094 -0.032 0.000 1.035 310 V CA -0.608 61.674 62.300 -0.030 0.000 0.896 310 V CB 2.222 34.023 31.823 -0.037 0.000 0.986 310 V HN 0.409 nan 8.190 nan 0.000 0.447 311 V N 5.427 125.319 119.914 -0.037 0.000 2.384 311 V HA 0.639 4.759 4.120 -0.000 0.000 0.287 311 V C -0.213 175.830 176.094 -0.085 0.000 1.020 311 V CA -0.621 61.655 62.300 -0.041 0.000 0.850 311 V CB 1.502 33.311 31.823 -0.024 0.000 0.987 311 V HN 0.899 nan 8.190 nan 0.000 0.436 312 K N 2.481 122.815 120.400 -0.110 0.000 2.562 312 K HA 0.458 4.778 4.320 -0.000 0.000 0.267 312 K C -0.273 176.208 176.600 -0.198 0.000 0.938 312 K CA -0.666 55.460 56.287 -0.268 0.000 0.840 312 K CB 0.980 33.243 32.500 -0.394 0.000 1.390 312 K HN 0.759 nan 8.250 nan 0.000 0.428 313 H N 1.286 120.355 119.070 -0.001 0.000 2.776 313 H HA -0.207 4.349 4.556 -0.000 0.000 0.300 313 H C 0.763 176.093 175.328 0.004 0.000 1.161 313 H CA 1.726 57.773 56.048 -0.000 0.000 1.147 313 H CB -1.591 28.169 29.762 -0.003 0.000 1.366 313 H HN 1.134 nan 8.280 nan 0.000 0.397 314 G N -1.706 107.131 108.800 0.063 0.000 2.205 314 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.261 314 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.261 314 G C 0.346 175.277 174.900 0.052 0.000 0.980 314 G CA 0.359 45.489 45.100 0.050 0.000 0.632 314 G HN 0.539 nan 8.290 nan 0.000 0.533 315 V N 0.589 120.537 119.914 0.057 0.000 2.539 315 V HA 0.539 4.659 4.120 -0.000 0.000 0.292 315 V C 0.457 176.568 176.094 0.028 0.000 1.045 315 V CA -0.635 61.696 62.300 0.052 0.000 0.945 315 V CB 1.734 33.594 31.823 0.063 0.000 0.993 315 V HN 0.283 nan 8.190 nan 0.000 0.464 316 K N 4.399 124.820 120.400 0.034 0.000 2.234 316 K HA 0.600 4.920 4.320 -0.000 0.000 0.277 316 K C -0.890 175.713 176.600 0.004 0.000 1.038 316 K CA -0.208 56.091 56.287 0.020 0.000 0.888 316 K CB 1.290 33.814 32.500 0.041 0.000 1.091 316 K HN 0.545 nan 8.250 nan 0.000 0.467 317 I N 3.933 124.493 120.570 -0.017 0.000 2.412 317 I HA 0.135 4.305 4.170 -0.000 0.000 0.279 317 I C -0.415 175.661 176.117 -0.067 0.000 1.063 317 I CA -1.029 60.251 61.300 -0.034 0.000 1.193 317 I CB 1.062 39.044 38.000 -0.031 0.000 1.370 317 I HN 0.198 nan 8.210 nan 0.000 0.479 318 V N 4.799 124.657 119.914 -0.093 0.000 2.439 318 V HA 0.357 4.477 4.120 -0.000 0.000 0.271 318 V C 0.992 176.949 176.094 -0.230 0.000 1.040 318 V CA -0.138 62.038 62.300 -0.207 0.000 1.002 318 V CB 0.829 32.517 31.823 -0.225 0.000 1.000 318 V HN 0.908 nan 8.190 nan 0.000 0.477 319 G N 4.024 112.669 108.800 -0.258 0.000 4.138 319 G HA2 0.384 4.344 3.960 -0.000 0.000 0.335 319 G HA3 0.384 4.344 3.960 -0.000 0.000 0.335 319 G C -0.209 174.629 174.900 -0.104 0.000 1.517 319 G CA -0.460 44.551 45.100 -0.147 0.000 0.960 319 G HN 0.649 nan 8.290 nan 0.000 0.493 320 H N 0.800 119.871 119.070 0.002 0.000 2.548 320 H HA 0.532 5.088 4.556 -0.000 0.000 0.366 320 H C 0.697 176.021 175.328 -0.007 0.000 1.433 320 H CA 0.371 56.417 56.048 -0.003 0.000 1.443 320 H CB 1.298 31.057 29.762 -0.005 0.000 1.594 320 H HN 0.469 nan 8.280 nan 0.000 0.608 321 T N -1.043 113.596 114.554 0.142 0.000 2.876 321 T HA 0.212 4.562 4.350 -0.000 0.000 0.289 321 T C 0.227 174.940 174.700 0.022 0.000 1.014 321 T CA -1.102 61.032 62.100 0.056 0.000 0.986 321 T CB 1.512 70.399 68.868 0.031 0.000 1.021 321 T HN 0.639 nan 8.240 nan 0.000 0.458 322 N N 1.202 119.906 118.700 0.006 0.000 2.738 322 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 322 N C 0.841 176.346 175.510 -0.008 0.000 1.047 322 N CA 0.759 53.800 53.050 -0.015 0.000 0.707 322 N CB -1.582 36.881 38.487 -0.039 0.000 0.937 322 N HN 0.613 nan 8.380 nan 0.000 0.545 323 V N 0.163 120.090 119.914 0.021 0.000 2.380 323 V HA -0.195 3.924 4.120 -0.000 0.000 0.251 323 V C -0.485 175.620 176.094 0.018 0.000 1.063 323 V CA 2.377 64.695 62.300 0.030 0.000 1.055 323 V CB -0.856 31.004 31.823 0.061 0.000 0.657 323 V HN 0.394 nan 8.190 nan 0.000 0.455 324 P HA -0.120 nan 4.420 nan 0.000 0.219 324 P C 2.027 179.318 177.300 -0.016 0.000 1.146 324 P CA 1.586 64.694 63.100 0.014 0.000 0.808 324 P CB -0.063 31.652 31.700 0.026 0.000 0.779 325 S N -0.905 114.774 115.700 -0.036 0.000 2.442 325 S HA -0.111 4.359 4.470 -0.000 0.000 0.236 325 S C 1.615 176.183 174.600 -0.054 0.000 1.007 325 S CA 0.880 59.046 58.200 -0.057 0.000 0.965 325 S CB -0.567 62.592 63.200 -0.068 0.000 0.773 325 S HN 0.119 nan 8.310 nan 0.000 0.504 326 R N 0.074 120.548 120.500 -0.044 0.000 2.323 326 R HA 0.083 4.423 4.340 -0.000 0.000 0.198 326 R C 0.527 176.815 176.300 -0.020 0.000 0.988 326 R CA 0.572 56.641 56.100 -0.051 0.000 1.041 326 R CB 0.160 30.425 30.300 -0.058 0.000 0.926 326 R HN 0.304 nan 8.270 nan 0.000 0.476 327 V N -1.195 118.710 119.914 -0.016 0.000 3.199 327 V HA 0.200 4.320 4.120 -0.000 0.000 0.331 327 V C 1.542 177.613 176.094 -0.038 0.000 1.446 327 V CA 0.280 62.569 62.300 -0.018 0.000 1.120 327 V CB 0.772 32.587 31.823 -0.012 0.000 1.051 327 V HN 0.172 nan 8.190 nan 0.000 0.495 328 A N 1.375 124.170 122.820 -0.043 0.000 2.054 328 A HA -0.330 3.990 4.320 -0.000 0.000 0.225 328 A C 2.323 179.877 177.584 -0.049 0.000 1.209 328 A CA 2.911 54.916 52.037 -0.053 0.000 0.678 328 A CB -0.416 18.548 19.000 -0.060 0.000 0.823 328 A HN 0.855 nan 8.150 nan 0.000 0.484 329 A N -1.396 121.398 122.820 -0.044 0.000 1.897 329 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 329 A C 1.934 179.495 177.584 -0.038 0.000 1.181 329 A CA 1.695 53.709 52.037 -0.038 0.000 0.620 329 A CB -0.364 18.615 19.000 -0.035 0.000 0.821 329 A HN 0.471 nan 8.150 nan 0.000 0.443 330 D N -0.289 120.081 120.400 -0.050 0.000 2.162 330 D HA 0.081 4.720 4.640 -0.000 0.000 0.205 330 D C 2.207 178.484 176.300 -0.037 0.000 0.964 330 D CA 1.242 55.208 54.000 -0.056 0.000 0.847 330 D CB -0.185 40.557 40.800 -0.096 0.000 0.988 330 D HN 0.342 nan 8.370 nan 0.000 0.480 331 A N 0.394 123.195 122.820 -0.031 0.000 2.070 331 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 331 A C 2.385 179.988 177.584 0.031 0.000 1.159 331 A CA 1.412 53.450 52.037 0.003 0.000 0.656 331 A CB -0.221 18.780 19.000 0.002 0.000 0.800 331 A HN 0.104 nan 8.150 nan 0.000 0.453 332 S N 0.169 115.867 115.700 -0.002 0.000 2.329 332 S HA -0.048 4.422 4.470 -0.000 0.000 0.215 332 S C -0.356 174.267 174.600 0.037 0.000 1.031 332 S CA 1.244 59.444 58.200 -0.001 0.000 0.985 332 S CB -1.048 62.131 63.200 -0.035 0.000 0.917 332 S HN 0.561 nan 8.310 nan 0.000 0.441 333 P HA -0.101 nan 4.420 nan 0.000 0.222 333 P C 1.123 178.437 177.300 0.023 0.000 1.142 333 P CA 0.994 64.107 63.100 0.022 0.000 0.788 333 P CB -0.172 31.532 31.700 0.008 0.000 0.767 334 L N -2.016 119.225 121.223 0.031 0.000 2.062 334 L HA -0.036 4.304 4.340 -0.000 0.000 0.202 334 L C 2.615 179.501 176.870 0.027 0.000 1.079 334 L CA 0.999 55.848 54.840 0.016 0.000 0.755 334 L CB -1.234 40.833 42.059 0.013 0.000 0.913 334 L HN -0.134 nan 8.230 nan 0.000 0.445 335 F N 1.216 121.108 119.950 -0.095 0.000 2.225 335 F HA -0.300 4.227 4.527 -0.000 0.000 0.302 335 F C 2.288 177.965 175.800 -0.205 0.000 1.068 335 F CA 1.137 59.058 58.000 -0.132 0.000 1.327 335 F CB -0.197 38.738 39.000 -0.109 0.000 1.043 335 F HN 0.049 nan 8.300 nan 0.000 0.506 336 A N 0.060 122.931 122.820 0.085 0.000 1.841 336 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 336 A C 2.372 179.851 177.584 -0.175 0.000 1.195 336 A CA 1.431 53.431 52.037 -0.061 0.000 0.611 336 A CB -0.649 18.373 19.000 0.037 0.000 0.835 336 A HN 0.225 nan 8.150 nan 0.000 0.443 337 K N 0.113 120.463 120.400 -0.083 0.000 2.044 337 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 337 K C 1.790 178.303 176.600 -0.144 0.000 1.049 337 K CA 1.771 58.011 56.287 -0.079 0.000 0.927 337 K CB -0.714 31.758 32.500 -0.046 0.000 0.713 337 K HN 0.622 nan 8.250 nan 0.000 0.443 338 N N 0.430 119.009 118.700 -0.201 0.000 2.182 338 N HA -0.228 4.512 4.740 -0.000 0.000 0.192 338 N C 1.651 176.984 175.510 -0.295 0.000 1.007 338 N CA 0.932 53.821 53.050 -0.268 0.000 0.873 338 N CB -0.041 38.193 38.487 -0.422 0.000 0.998 338 N HN -0.010 nan 8.380 nan 0.000 0.436 339 L N 0.366 121.344 121.223 -0.408 0.000 2.051 339 L HA -0.002 4.338 4.340 -0.000 0.000 0.202 339 L C 2.055 178.813 176.870 -0.187 0.000 1.097 339 L CA 0.820 55.365 54.840 -0.491 0.000 0.762 339 L CB -1.245 40.081 42.059 -1.221 0.000 0.913 339 L HN 0.094 nan 8.230 nan 0.000 0.447 340 L N 0.215 121.344 121.223 -0.157 0.000 2.151 340 L HA -0.337 4.003 4.340 -0.000 0.000 0.219 340 L C 2.191 179.108 176.870 0.078 0.000 1.083 340 L CA 1.909 56.863 54.840 0.189 0.000 0.782 340 L CB -0.827 41.332 42.059 0.168 0.000 0.891 340 L HN 0.406 nan 8.230 nan 0.000 0.439 341 N N -0.561 118.141 118.700 0.003 0.000 2.048 341 N HA -0.222 4.518 4.740 -0.000 0.000 0.193 341 N C 1.789 177.287 175.510 -0.020 0.000 1.061 341 N CA 1.812 54.853 53.050 -0.015 0.000 0.849 341 N CB -0.908 37.561 38.487 -0.029 0.000 1.044 341 N HN 0.493 nan 8.380 nan 0.000 0.429 342 F N 1.575 121.430 119.950 -0.158 0.000 2.304 342 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 342 F C 1.999 177.661 175.800 -0.229 0.000 1.052 342 F CA 0.896 58.781 58.000 -0.192 0.000 1.389 342 F CB -0.084 38.800 39.000 -0.192 0.000 1.081 342 F HN 0.075 nan 8.300 nan 0.000 0.538 343 L N -0.535 120.631 121.223 -0.095 0.000 2.194 343 L HA -0.036 4.304 4.340 -0.000 0.000 0.197 343 L C 2.710 179.447 176.870 -0.221 0.000 1.106 343 L CA 1.372 56.130 54.840 -0.137 0.000 0.785 343 L CB -1.103 41.083 42.059 0.212 0.000 0.960 343 L HN 0.230 nan 8.230 nan 0.000 0.465 344 T N -1.467 113.040 114.554 -0.079 0.000 2.795 344 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 344 T C -0.395 174.249 174.700 -0.093 0.000 1.056 344 T CA 1.630 63.704 62.100 -0.044 0.000 1.141 344 T CB -1.853 67.012 68.868 -0.004 0.000 0.840 344 T HN 0.299 nan 8.240 nan 0.000 0.493 345 P HA -0.067 nan 4.420 nan 0.000 0.218 345 P C 0.998 178.289 177.300 -0.015 0.000 1.148 345 P CA 1.399 64.401 63.100 -0.164 0.000 0.822 345 P CB -0.269 31.261 31.700 -0.283 0.000 0.784 346 H N -2.061 116.965 119.070 -0.073 0.000 2.535 346 H HA 0.116 4.672 4.556 -0.000 0.000 0.273 346 H C 0.772 176.107 175.328 0.011 0.000 0.983 346 H CA -0.431 55.588 56.048 -0.048 0.000 1.238 346 H CB 0.013 29.721 29.762 -0.088 0.000 1.412 346 H HN -0.072 nan 8.280 nan 0.000 0.562 347 V N 4.205 124.211 119.914 0.155 0.000 2.324 347 V HA -0.078 4.042 4.120 -0.000 0.000 0.244 347 V C 0.413 176.557 176.094 0.083 0.000 1.144 347 V CA -0.544 61.846 62.300 0.150 0.000 1.158 347 V CB -1.134 30.828 31.823 0.231 0.000 1.254 347 V HN 0.376 nan 8.190 nan 0.000 0.492 348 D N 5.230 125.667 120.400 0.061 0.000 2.844 348 D HA -0.225 4.415 4.640 -0.000 0.000 0.217 348 D C 1.235 177.547 176.300 0.021 0.000 1.121 348 D CA 0.974 54.993 54.000 0.032 0.000 0.829 348 D CB 0.847 41.654 40.800 0.012 0.000 1.194 348 D HN 0.840 nan 8.370 nan 0.000 0.513 349 K N 2.944 123.354 120.400 0.016 0.000 1.988 349 K HA -0.302 4.018 4.320 -0.000 0.000 0.231 349 K C 1.121 177.723 176.600 0.004 0.000 1.044 349 K CA 2.101 58.394 56.287 0.011 0.000 1.013 349 K CB -0.283 32.221 32.500 0.007 0.000 0.736 349 K HN 0.433 nan 8.250 nan 0.000 0.446 350 D N -1.529 118.868 120.400 -0.004 0.000 2.473 350 D HA 0.104 4.744 4.640 -0.000 0.000 0.242 350 D C 1.307 177.594 176.300 -0.022 0.000 1.106 350 D CA 0.468 54.461 54.000 -0.012 0.000 0.854 350 D CB 0.334 41.128 40.800 -0.009 0.000 1.192 350 D HN 0.309 nan 8.370 nan 0.000 0.503 351 T N 0.670 115.212 114.554 -0.021 0.000 2.918 351 T HA -0.212 4.138 4.350 -0.000 0.000 0.271 351 T C 0.994 175.666 174.700 -0.047 0.000 1.104 351 T CA 1.151 63.233 62.100 -0.029 0.000 1.114 351 T CB -0.198 68.657 68.868 -0.022 0.000 0.855 351 T HN 0.228 nan 8.240 nan 0.000 0.518 352 K N 1.819 122.184 120.400 -0.058 0.000 3.372 352 K HA -0.185 4.135 4.320 -0.000 0.000 0.272 352 K C -0.386 176.134 176.600 -0.134 0.000 1.037 352 K CA 0.777 57.001 56.287 -0.105 0.000 0.777 352 K CB -1.628 30.805 32.500 -0.113 0.000 1.347 352 K HN 0.650 nan 8.250 nan 0.000 0.460 353 T N -2.307 112.189 114.554 -0.096 0.000 2.681 353 T HA 0.616 4.966 4.350 -0.000 0.000 0.296 353 T C -0.055 174.630 174.700 -0.024 0.000 1.157 353 T CA -0.821 61.229 62.100 -0.084 0.000 1.025 353 T CB 1.585 70.425 68.868 -0.048 0.000 1.441 353 T HN 0.330 nan 8.240 nan 0.000 0.504 354 L N -0.051 121.187 121.223 0.025 0.000 2.400 354 L HA 0.924 5.264 4.340 -0.000 0.000 0.264 354 L C -1.182 175.718 176.870 0.051 0.000 1.061 354 L CA -1.066 53.827 54.840 0.090 0.000 0.799 354 L CB 1.681 43.843 42.059 0.173 0.000 1.240 354 L HN 0.619 nan 8.230 nan 0.000 0.461 355 V N 4.159 124.093 119.914 0.033 0.000 2.925 355 V HA 0.208 4.327 4.120 -0.000 0.000 0.252 355 V C -0.650 175.313 176.094 -0.218 0.000 0.913 355 V CA -0.445 61.827 62.300 -0.047 0.000 0.933 355 V CB 1.389 33.197 31.823 -0.024 0.000 1.039 355 V HN 0.708 nan 8.190 nan 0.000 0.507 356 M N 4.506 123.977 119.600 -0.215 0.000 2.557 356 M HA 0.319 4.799 4.480 -0.000 0.000 0.328 356 M C 0.515 176.582 176.300 -0.388 0.000 1.423 356 M CA 0.009 55.020 55.300 -0.481 0.000 1.418 356 M CB -0.090 32.434 32.600 -0.126 0.000 1.381 356 M HN 0.427 nan 8.290 nan 0.000 0.467 357 K N 3.007 123.117 120.400 -0.484 0.000 2.161 357 K HA -0.051 4.269 4.320 -0.000 0.000 0.260 357 K C 1.295 177.825 176.600 -0.118 0.000 1.158 357 K CA -0.229 55.933 56.287 -0.209 0.000 1.172 357 K CB 0.199 32.613 32.500 -0.142 0.000 0.917 357 K HN 0.515 nan 8.250 nan 0.000 0.410 358 L N 2.981 124.168 121.223 -0.060 0.000 2.211 358 L HA -0.257 4.083 4.340 -0.000 0.000 0.216 358 L C 2.328 179.205 176.870 0.012 0.000 1.092 358 L CA 1.995 56.834 54.840 -0.003 0.000 0.767 358 L CB -0.558 41.505 42.059 0.007 0.000 0.894 358 L HN 0.736 nan 8.230 nan 0.000 0.437 359 E N -0.807 119.392 120.200 -0.001 0.000 2.250 359 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 359 E C 0.647 177.258 176.600 0.018 0.000 0.986 359 E CA -0.209 56.197 56.400 0.010 0.000 0.849 359 E CB -0.679 29.024 29.700 0.004 0.000 0.797 359 E HN 0.328 nan 8.360 nan 0.000 0.482 360 D N 2.676 123.083 120.400 0.011 0.000 2.661 360 D HA -0.142 4.498 4.640 -0.000 0.000 0.244 360 D C 1.085 177.415 176.300 0.050 0.000 1.196 360 D CA 0.455 54.472 54.000 0.028 0.000 0.881 360 D CB 0.738 41.559 40.800 0.036 0.000 1.141 360 D HN 0.141 nan 8.370 nan 0.000 0.530 361 E N 2.738 122.966 120.200 0.046 0.000 2.217 361 E HA -0.357 3.993 4.350 -0.000 0.000 0.219 361 E C 1.550 178.204 176.600 0.089 0.000 1.070 361 E CA 3.135 59.569 56.400 0.056 0.000 0.889 361 E CB -0.378 29.348 29.700 0.042 0.000 0.768 361 E HN 0.707 nan 8.360 nan 0.000 0.465 362 T N -1.964 112.656 114.554 0.110 0.000 2.588 362 T HA -0.166 4.184 4.350 -0.000 0.000 0.261 362 T C 2.011 176.866 174.700 0.260 0.000 1.069 362 T CA 2.151 64.369 62.100 0.197 0.000 1.172 362 T CB -1.122 67.906 68.868 0.267 0.000 0.863 362 T HN 0.052 nan 8.240 nan 0.000 0.408 363 V N 3.125 123.172 119.914 0.223 0.000 2.250 363 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 363 V C 2.903 179.143 176.094 0.242 0.000 1.065 363 V CA 2.389 64.824 62.300 0.225 0.000 1.039 363 V CB -1.429 30.442 31.823 0.080 0.000 0.647 363 V HN 0.867 nan 8.190 nan 0.000 0.446 364 S N -0.285 115.512 115.700 0.161 0.000 2.906 364 S HA 0.251 4.721 4.470 -0.000 0.000 0.234 364 S C 1.180 175.866 174.600 0.144 0.000 0.973 364 S CA 0.563 58.845 58.200 0.137 0.000 1.036 364 S CB 0.082 63.329 63.200 0.079 0.000 0.798 364 S HN 0.667 nan 8.310 nan 0.000 0.498 365 G N -0.124 108.792 108.800 0.193 0.000 2.535 365 G HA2 0.148 4.108 3.960 -0.000 0.000 0.191 365 G HA3 0.148 4.108 3.960 -0.000 0.000 0.191 365 G C 0.937 175.974 174.900 0.229 0.000 1.242 365 G CA 0.390 45.609 45.100 0.199 0.000 0.797 365 G HN 0.460 nan 8.290 nan 0.000 0.863 366 T N 0.474 115.161 114.554 0.222 0.000 2.764 366 T HA 0.020 4.370 4.350 -0.000 0.000 0.243 366 T C 1.362 176.208 174.700 0.243 0.000 1.065 366 T CA 0.698 62.904 62.100 0.176 0.000 1.219 366 T CB -0.499 68.503 68.868 0.223 0.000 0.918 366 T HN 0.242 nan 8.240 nan 0.000 0.409 367 C N 3.705 123.285 119.300 0.467 0.000 2.155 367 C HA 0.035 4.495 4.460 -0.000 0.000 0.396 367 C C 1.897 176.989 174.990 0.170 0.000 1.545 367 C CA -0.196 59.002 59.018 0.300 0.000 1.442 367 C CB -1.297 26.641 27.740 0.329 0.000 2.553 367 C HN 0.428 nan 8.230 nan 0.000 0.598 368 V N 4.717 124.655 119.914 0.041 0.000 3.565 368 V HA 0.239 4.359 4.120 -0.000 0.000 0.260 368 V C 0.991 177.111 176.094 0.043 0.000 1.231 368 V CA 1.407 63.738 62.300 0.050 0.000 1.100 368 V CB -0.119 31.679 31.823 -0.042 0.000 0.807 368 V HN 0.987 nan 8.190 nan 0.000 0.454 369 T N 1.390 115.935 114.554 -0.015 0.000 3.579 369 T HA 0.502 4.852 4.350 -0.000 0.000 0.360 369 T C -1.110 173.552 174.700 -0.063 0.000 1.285 369 T CA -0.731 61.357 62.100 -0.019 0.000 1.127 369 T CB 1.384 70.244 68.868 -0.014 0.000 1.244 369 T HN 0.570 nan 8.240 nan 0.000 0.476 370 R N 2.456 122.933 120.500 -0.038 0.000 2.837 370 R HA 0.710 5.050 4.340 -0.000 0.000 0.271 370 R C -0.961 175.328 176.300 -0.019 0.000 0.993 370 R CA -0.819 55.252 56.100 -0.049 0.000 0.931 370 R CB 0.475 30.753 30.300 -0.036 0.000 1.206 370 R HN 0.429 nan 8.270 nan 0.000 0.474 371 D N 1.030 121.420 120.400 -0.016 0.000 5.309 371 D HA -0.125 4.515 4.640 -0.000 0.000 0.182 371 D C 0.687 176.987 176.300 -0.001 0.000 1.247 371 D CA 2.626 56.624 54.000 -0.004 0.000 0.736 371 D CB -0.579 40.223 40.800 0.004 0.000 1.212 371 D HN 0.871 nan 8.370 nan 0.000 0.637 372 G N -0.960 107.838 108.800 -0.003 0.000 2.067 372 G HA2 0.301 4.261 3.960 -0.000 0.000 0.080 372 G HA3 0.301 4.261 3.960 -0.000 0.000 0.080 372 G C -0.434 174.467 174.900 0.001 0.000 2.159 372 G CA 0.143 45.243 45.100 0.001 0.000 1.192 372 G HN 0.912 nan 8.290 nan 0.000 0.351 373 A N -0.551 122.271 122.820 0.003 0.000 2.569 373 A HA 0.780 5.100 4.320 -0.000 0.000 0.290 373 A C -0.234 177.356 177.584 0.010 0.000 1.136 373 A CA -0.604 51.437 52.037 0.006 0.000 0.710 373 A CB 0.674 19.679 19.000 0.008 0.000 1.303 373 A HN 1.010 nan 8.150 nan 0.000 0.413 374 I N 1.551 122.131 120.570 0.016 0.000 2.943 374 I HA -0.083 4.087 4.170 -0.000 0.000 0.296 374 I C 0.848 176.989 176.117 0.039 0.000 1.220 374 I CA 0.280 61.597 61.300 0.029 0.000 1.409 374 I CB 0.238 38.259 38.000 0.034 0.000 1.374 374 I HN 0.394 nan 8.210 nan 0.000 0.545 375 V N 4.663 124.609 119.914 0.054 0.000 3.263 375 V HA -0.047 4.073 4.120 -0.000 0.000 0.248 375 V C 0.947 177.092 176.094 0.085 0.000 1.145 375 V CA 0.233 62.569 62.300 0.059 0.000 1.107 375 V CB -0.628 31.229 31.823 0.057 0.000 0.797 375 V HN 0.719 nan 8.190 nan 0.000 0.467 376 H N 1.701 120.783 119.070 0.020 0.000 2.948 376 H HA 0.073 4.628 4.556 -0.000 0.000 0.351 376 H C -1.472 173.868 175.328 0.020 0.000 1.079 376 H CA -0.725 55.339 56.048 0.025 0.000 1.407 376 H CB 1.041 30.817 29.762 0.024 0.000 1.373 376 H HN -0.010 nan 8.280 nan 0.000 0.605 377 P HA -0.198 nan 4.420 nan 0.000 0.210 377 P C 1.082 178.338 177.300 -0.074 0.000 1.189 377 P CA 2.380 65.344 63.100 -0.227 0.000 0.920 377 P CB -0.223 31.291 31.700 -0.309 0.000 0.782 378 A N -1.587 121.221 122.820 -0.020 0.000 2.117 378 A HA -0.228 4.092 4.320 -0.000 0.000 0.224 378 A C 1.886 179.534 177.584 0.107 0.000 1.167 378 A CA 1.964 54.069 52.037 0.112 0.000 0.664 378 A CB -1.507 17.635 19.000 0.238 0.000 0.811 378 A HN 0.122 nan 8.150 nan 0.000 0.470 379 L N -2.439 118.859 121.223 0.125 0.000 2.269 379 L HA 0.177 4.517 4.340 -0.000 0.000 0.200 379 L C 1.169 178.068 176.870 0.050 0.000 1.069 379 L CA 1.329 56.219 54.840 0.083 0.000 0.804 379 L CB -1.000 41.115 42.059 0.093 0.000 0.987 379 L HN 0.306 nan 8.230 nan 0.000 0.468 380 T N 0.000 114.579 114.554 0.042 0.000 3.816 380 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 380 T CA 0.000 62.113 62.100 0.022 0.000 1.349 380 T CB 0.000 68.876 68.868 0.013 0.000 0.612 380 T HN 0.000 nan 8.240 nan 0.000 0.658