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_G DATA FIRST_RESID 1 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT VDXXXXXXXX XXXXXXXXXG EEFRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPALT G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.458 176.300 0.263 0.000 1.140 1 M CA 0.000 55.386 55.300 0.144 0.000 0.988 1 M CB 0.000 32.738 32.600 0.230 0.000 1.302 2 K N 1.592 122.082 120.400 0.151 0.000 2.265 2 K HA 0.771 5.091 4.320 -0.000 0.000 0.267 2 K C -1.518 175.058 176.600 -0.039 0.000 0.994 2 K CA -0.443 55.881 56.287 0.062 0.000 0.860 2 K CB 1.969 34.484 32.500 0.024 0.000 1.099 2 K HN 0.579 nan 8.250 nan 0.000 0.448 3 I N 1.590 122.045 120.570 -0.190 0.000 2.569 3 I HA 0.637 4.807 4.170 -0.000 0.000 0.296 3 I C -1.465 174.486 176.117 -0.278 0.000 1.028 3 I CA -0.523 60.544 61.300 -0.388 0.000 1.082 3 I CB 1.603 39.069 38.000 -0.890 0.000 1.264 3 I HN 0.727 nan 8.210 nan 0.000 0.429 4 A N 7.115 129.803 122.820 -0.220 0.000 2.520 4 A HA 0.780 5.099 4.320 -0.000 0.000 0.298 4 A C -1.645 175.915 177.584 -0.039 0.000 1.051 4 A CA -0.411 51.557 52.037 -0.113 0.000 0.690 4 A CB 1.294 20.260 19.000 -0.057 0.000 1.281 4 A HN 0.498 nan 8.150 nan 0.000 0.402 5 I N 3.554 124.124 120.570 0.001 0.000 2.389 5 I HA 0.515 4.685 4.170 -0.000 0.000 0.288 5 I C -2.196 173.946 176.117 0.043 0.000 0.999 5 I CA -1.737 59.608 61.300 0.075 0.000 1.129 5 I CB 2.038 40.107 38.000 0.115 0.000 1.288 5 I HN 0.454 nan 8.210 nan 0.000 0.444 6 P HA 0.269 nan 4.420 nan 0.000 0.286 6 P C -1.066 176.242 177.300 0.012 0.000 1.292 6 P CA -0.929 62.184 63.100 0.022 0.000 0.842 6 P CB 1.502 33.216 31.700 0.023 0.000 1.207 7 K N 1.326 121.727 120.400 0.001 0.000 2.249 7 K HA 0.110 4.430 4.320 -0.000 0.000 0.280 7 K C 0.071 176.661 176.600 -0.017 0.000 1.033 7 K CA -0.189 56.091 56.287 -0.011 0.000 0.946 7 K CB 0.440 32.933 32.500 -0.012 0.000 1.005 7 K HN 0.368 nan 8.250 nan 0.000 0.469 8 E N 3.841 124.020 120.200 -0.034 0.000 2.376 8 E HA -0.003 4.347 4.350 -0.000 0.000 0.266 8 E C 0.702 177.282 176.600 -0.033 0.000 1.009 8 E CA -0.049 56.327 56.400 -0.040 0.000 0.902 8 E CB 0.789 30.447 29.700 -0.070 0.000 0.972 8 E HN 0.449 nan 8.360 nan 0.000 0.439 9 R N 1.802 122.287 120.500 -0.025 0.000 2.206 9 R HA 0.078 4.418 4.340 -0.000 0.000 0.198 9 R C 0.602 176.887 176.300 -0.025 0.000 0.986 9 R CA -0.109 55.978 56.100 -0.021 0.000 1.029 9 R CB -0.280 30.012 30.300 -0.012 0.000 0.966 9 R HN 0.295 nan 8.270 nan 0.000 0.487 10 R N 2.774 123.256 120.500 -0.030 0.000 2.619 10 R HA -0.027 4.313 4.340 -0.000 0.000 0.268 10 R C -2.121 174.157 176.300 -0.036 0.000 0.990 10 R CA -0.448 55.632 56.100 -0.033 0.000 1.092 10 R CB -0.044 30.230 30.300 -0.044 0.000 0.935 10 R HN 0.047 nan 8.270 nan 0.000 0.415 11 P HA 0.111 nan 4.420 nan 0.000 0.276 11 P C 0.025 177.303 177.300 -0.036 0.000 1.243 11 P CA 0.360 63.443 63.100 -0.029 0.000 0.768 11 P CB 1.200 32.888 31.700 -0.021 0.000 0.856 12 G N 2.151 110.927 108.800 -0.041 0.000 2.175 12 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 12 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 12 G C 0.049 174.910 174.900 -0.064 0.000 0.982 12 G CA -0.085 44.985 45.100 -0.050 0.000 0.641 12 G HN 0.650 nan 8.290 nan 0.000 0.527 13 E N 1.193 121.353 120.200 -0.067 0.000 2.044 13 E HA 0.526 4.876 4.350 -0.000 0.000 0.282 13 E C 0.463 177.012 176.600 -0.085 0.000 1.031 13 E CA -0.577 55.771 56.400 -0.087 0.000 0.824 13 E CB 0.505 30.149 29.700 -0.093 0.000 1.076 13 E HN 0.166 nan 8.360 nan 0.000 0.395 14 D N 3.648 123.994 120.400 -0.091 0.000 2.398 14 D HA 0.085 4.725 4.640 -0.000 0.000 0.210 14 D C 0.037 176.280 176.300 -0.095 0.000 1.094 14 D CA 0.021 53.972 54.000 -0.081 0.000 0.839 14 D CB 0.436 41.193 40.800 -0.071 0.000 0.963 14 D HN 0.295 nan 8.370 nan 0.000 0.506 15 R N 0.390 120.811 120.500 -0.132 0.000 2.560 15 R HA 0.463 4.803 4.340 -0.000 0.000 0.270 15 R C -0.193 176.003 176.300 -0.174 0.000 1.074 15 R CA -0.299 55.698 56.100 -0.172 0.000 1.140 15 R CB 1.977 32.115 30.300 -0.270 0.000 1.073 15 R HN -0.139 nan 8.270 nan 0.000 0.527 16 V N -0.063 119.754 119.914 -0.162 0.000 3.155 16 V HA 0.650 4.770 4.120 -0.000 0.000 0.313 16 V C -0.943 175.075 176.094 -0.127 0.000 1.162 16 V CA -0.509 61.725 62.300 -0.111 0.000 1.048 16 V CB 2.166 33.964 31.823 -0.043 0.000 1.092 16 V HN 0.848 nan 8.190 nan 0.000 0.447 17 A N 3.315 126.125 122.820 -0.016 0.000 3.106 17 A HA 0.759 5.079 4.320 -0.000 0.000 0.306 17 A C -0.498 177.222 177.584 0.226 0.000 1.192 17 A CA -0.036 52.054 52.037 0.089 0.000 0.994 17 A CB -0.519 18.573 19.000 0.154 0.000 1.107 17 A HN 0.889 nan 8.150 nan 0.000 0.585 18 I N -0.618 120.047 120.570 0.157 0.000 2.842 18 I HA 0.452 4.622 4.170 -0.000 0.000 0.296 18 I C -0.973 175.212 176.117 0.113 0.000 1.538 18 I CA 0.151 61.567 61.300 0.193 0.000 0.994 18 I CB 2.203 40.307 38.000 0.173 0.000 1.372 18 I HN 0.211 nan 8.210 nan 0.000 0.478 19 S N 5.389 121.159 115.700 0.116 0.000 2.571 19 S HA 0.673 5.143 4.470 -0.000 0.000 0.284 19 S C -2.580 172.060 174.600 0.066 0.000 1.128 19 S CA -1.226 57.018 58.200 0.073 0.000 0.970 19 S CB 2.299 65.539 63.200 0.066 0.000 1.039 19 S HN 0.420 nan 8.310 nan 0.000 0.485 20 P HA -0.245 nan 4.420 nan 0.000 0.219 20 P C 1.052 178.376 177.300 0.040 0.000 1.153 20 P CA 1.926 65.047 63.100 0.035 0.000 0.865 20 P CB 0.011 31.726 31.700 0.024 0.000 0.788 21 E N -0.854 119.371 120.200 0.043 0.000 2.017 21 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 21 E C 1.984 178.620 176.600 0.061 0.000 0.997 21 E CA 1.238 57.665 56.400 0.044 0.000 0.804 21 E CB -1.116 28.608 29.700 0.040 0.000 0.757 21 E HN 0.036 nan 8.360 nan 0.000 0.448 22 V N 1.626 121.591 119.914 0.085 0.000 2.490 22 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 22 V C 2.353 178.508 176.094 0.102 0.000 1.061 22 V CA 1.234 63.609 62.300 0.124 0.000 1.064 22 V CB -0.313 31.628 31.823 0.198 0.000 0.670 22 V HN 0.149 nan 8.190 nan 0.000 0.461 23 V N -0.426 119.531 119.914 0.073 0.000 2.407 23 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 23 V C 2.418 178.532 176.094 0.034 0.000 1.055 23 V CA 1.889 64.209 62.300 0.034 0.000 1.049 23 V CB -0.658 31.180 31.823 0.026 0.000 0.662 23 V HN 0.540 nan 8.190 nan 0.000 0.455 24 K N -0.013 120.413 120.400 0.042 0.000 2.031 24 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 24 K C 2.296 178.927 176.600 0.051 0.000 1.049 24 K CA 1.195 57.506 56.287 0.040 0.000 0.939 24 K CB -0.185 32.335 32.500 0.034 0.000 0.717 24 K HN 0.387 nan 8.250 nan 0.000 0.438 25 K N 0.933 121.371 120.400 0.062 0.000 2.097 25 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 25 K C 2.172 178.833 176.600 0.102 0.000 1.049 25 K CA 0.967 57.299 56.287 0.074 0.000 0.933 25 K CB -0.120 32.429 32.500 0.082 0.000 0.717 25 K HN 0.101 nan 8.250 nan 0.000 0.442 26 L N 0.378 121.663 121.223 0.103 0.000 2.017 26 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 26 L C 2.431 179.445 176.870 0.240 0.000 1.073 26 L CA 1.010 55.943 54.840 0.155 0.000 0.745 26 L CB -0.454 41.565 42.059 -0.068 0.000 0.894 26 L HN 0.033 nan 8.230 nan 0.000 0.432 27 V N 0.146 120.137 119.914 0.130 0.000 2.358 27 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 27 V C 2.450 178.585 176.094 0.068 0.000 1.047 27 V CA 1.978 64.344 62.300 0.109 0.000 1.035 27 V CB -0.606 31.253 31.823 0.059 0.000 0.658 27 V HN 0.586 nan 8.190 nan 0.000 0.452 28 G N -0.701 108.133 108.800 0.055 0.000 2.501 28 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 28 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 28 G C 1.326 176.231 174.900 0.008 0.000 1.114 28 G CA 0.726 45.843 45.100 0.028 0.000 0.757 28 G HN 0.540 nan 8.290 nan 0.000 0.559 29 L N 0.258 121.493 121.223 0.020 0.000 2.611 29 L HA 0.317 4.657 4.340 -0.000 0.000 0.229 29 L C 1.407 178.160 176.870 -0.195 0.000 1.137 29 L CA 0.181 54.985 54.840 -0.060 0.000 0.901 29 L CB -0.052 42.000 42.059 -0.012 0.000 1.098 29 L HN 0.254 nan 8.230 nan 0.000 0.456 30 G N 0.684 109.419 108.800 -0.108 0.000 2.587 30 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.274 30 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.274 30 G C -0.559 174.213 174.900 -0.215 0.000 1.046 30 G CA -0.417 44.600 45.100 -0.140 0.000 1.308 30 G HN 0.187 nan 8.290 nan 0.000 0.529 31 F N 0.120 120.041 119.950 -0.048 0.000 2.596 31 F HA 0.376 4.903 4.527 -0.000 0.000 0.311 31 F C 0.141 175.902 175.800 -0.065 0.000 1.116 31 F CA -1.156 56.803 58.000 -0.069 0.000 0.957 31 F CB 1.905 40.845 39.000 -0.100 0.000 1.250 31 F HN 0.110 nan 8.300 nan 0.000 0.444 32 E N 3.800 124.127 120.200 0.212 0.000 1.963 32 E HA 0.198 4.548 4.350 -0.000 0.000 0.274 32 E C -0.745 175.846 176.600 -0.015 0.000 1.061 32 E CA -0.240 56.202 56.400 0.069 0.000 0.847 32 E CB 1.543 31.274 29.700 0.053 0.000 1.083 32 E HN 0.183 nan 8.360 nan 0.000 0.402 33 V N 5.297 125.187 119.914 -0.040 0.000 2.389 33 V HA 0.143 4.263 4.120 -0.000 0.000 0.264 33 V C 0.296 176.349 176.094 -0.067 0.000 1.049 33 V CA -0.243 61.992 62.300 -0.107 0.000 0.932 33 V CB 0.576 32.341 31.823 -0.097 0.000 1.011 33 V HN 0.443 nan 8.190 nan 0.000 0.475 34 I N 7.024 127.548 120.570 -0.078 0.000 2.390 34 I HA 0.350 4.520 4.170 -0.000 0.000 0.283 34 I C -0.104 175.991 176.117 -0.036 0.000 1.016 34 I CA -0.388 60.886 61.300 -0.044 0.000 1.151 34 I CB 1.740 39.718 38.000 -0.035 0.000 1.293 34 I HN 0.426 nan 8.210 nan 0.000 0.458 35 V N 3.171 123.073 119.914 -0.021 0.000 2.435 35 V HA 0.535 4.654 4.120 -0.000 0.000 0.290 35 V C 0.330 176.422 176.094 -0.003 0.000 1.030 35 V CA -0.916 61.380 62.300 -0.007 0.000 0.881 35 V CB 1.882 33.706 31.823 0.002 0.000 0.983 35 V HN 0.749 nan 8.190 nan 0.000 0.445 36 E N 3.122 123.322 120.200 0.001 0.000 2.442 36 E HA 0.072 4.422 4.350 -0.000 0.000 0.260 36 E C 0.120 176.719 176.600 -0.001 0.000 1.148 36 E CA -0.204 56.196 56.400 -0.000 0.000 0.976 36 E CB 0.564 30.265 29.700 0.001 0.000 0.967 36 E HN 0.940 nan 8.360 nan 0.000 0.454 37 Q N 0.991 120.790 119.800 -0.002 0.000 2.286 37 Q HA 0.332 4.671 4.340 -0.000 0.000 0.257 37 Q C 0.472 176.470 176.000 -0.004 0.000 0.941 37 Q CA -0.012 55.789 55.803 -0.003 0.000 0.912 37 Q CB 1.042 29.778 28.738 -0.003 0.000 1.192 37 Q HN 0.764 nan 8.270 nan 0.000 0.410 38 G N 1.983 110.781 108.800 -0.005 0.000 2.221 38 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.265 38 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.265 38 G C 0.601 175.495 174.900 -0.010 0.000 1.041 38 G CA 0.188 45.283 45.100 -0.007 0.000 0.807 38 G HN 1.036 nan 8.290 nan 0.000 0.502 39 A N -0.780 122.036 122.820 -0.008 0.000 2.206 39 A HA 0.549 4.869 4.320 -0.000 0.000 0.211 39 A C 2.151 179.725 177.584 -0.016 0.000 1.158 39 A CA 1.823 53.854 52.037 -0.010 0.000 0.761 39 A CB 0.078 19.077 19.000 -0.001 0.000 0.801 39 A HN 1.630 nan 8.150 nan 0.000 0.473 40 G N -1.908 106.884 108.800 -0.013 0.000 3.528 40 G HA2 0.269 4.229 3.960 -0.000 0.000 0.266 40 G HA3 0.269 4.229 3.960 -0.000 0.000 0.266 40 G C 0.879 175.768 174.900 -0.019 0.000 1.004 40 G CA 0.651 45.741 45.100 -0.017 0.000 0.853 40 G HN 0.118 nan 8.290 nan 0.000 0.501 41 V N 1.257 121.161 119.914 -0.018 0.000 2.660 41 V HA -0.094 4.026 4.120 -0.000 0.000 0.257 41 V C 2.679 178.759 176.094 -0.023 0.000 1.088 41 V CA 2.607 64.896 62.300 -0.017 0.000 1.106 41 V CB -0.162 31.651 31.823 -0.016 0.000 0.686 41 V HN 0.378 nan 8.190 nan 0.000 0.481 42 G N -1.077 107.704 108.800 -0.030 0.000 2.408 42 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.215 42 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.215 42 G C 1.302 176.177 174.900 -0.040 0.000 1.156 42 G CA 0.643 45.719 45.100 -0.038 0.000 0.793 42 G HN 0.658 nan 8.290 nan 0.000 0.535 43 A N -0.150 122.647 122.820 -0.038 0.000 2.462 43 A HA 0.552 4.872 4.320 -0.000 0.000 0.261 43 A C 1.083 178.653 177.584 -0.024 0.000 1.323 43 A CA 0.674 52.689 52.037 -0.036 0.000 0.913 43 A CB -0.278 18.698 19.000 -0.041 0.000 1.028 43 A HN 0.605 nan 8.150 nan 0.000 0.511 44 S N -0.652 115.035 115.700 -0.021 0.000 3.667 44 S HA -0.139 4.331 4.470 -0.000 0.000 0.405 44 S C -0.336 174.258 174.600 -0.010 0.000 0.913 44 S CA 1.123 59.314 58.200 -0.015 0.000 1.288 44 S CB -1.774 61.417 63.200 -0.016 0.000 0.905 44 S HN 0.648 nan 8.310 nan 0.000 0.550 45 I N 1.292 121.857 120.570 -0.008 0.000 2.571 45 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 45 I C 0.516 176.631 176.117 -0.002 0.000 1.134 45 I CA -0.675 60.624 61.300 -0.002 0.000 1.052 45 I CB 2.203 40.204 38.000 0.003 0.000 1.237 45 I HN 0.370 nan 8.210 nan 0.000 0.435 46 T N -0.606 113.948 114.554 -0.001 0.000 2.882 46 T HA 0.196 4.546 4.350 -0.000 0.000 0.287 46 T C 0.669 175.370 174.700 0.001 0.000 1.014 46 T CA -0.567 61.532 62.100 -0.001 0.000 1.049 46 T CB 1.463 70.331 68.868 -0.001 0.000 1.001 46 T HN 0.431 nan 8.240 nan 0.000 0.525 47 D N 0.402 120.802 120.400 -0.000 0.000 2.351 47 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 47 D C 1.421 177.722 176.300 0.002 0.000 0.968 47 D CA 0.773 54.774 54.000 0.001 0.000 0.899 47 D CB -0.016 40.783 40.800 -0.001 0.000 0.907 47 D HN 0.599 nan 8.370 nan 0.000 0.514 48 D N 0.301 120.701 120.400 0.002 0.000 2.120 48 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 48 D C 2.061 178.363 176.300 0.004 0.000 0.972 48 D CA 0.856 54.858 54.000 0.002 0.000 0.837 48 D CB 0.069 40.870 40.800 0.001 0.000 0.989 48 D HN 0.108 nan 8.370 nan 0.000 0.469 49 A N 1.491 124.314 122.820 0.004 0.000 1.908 49 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 49 A C 2.403 179.992 177.584 0.009 0.000 1.181 49 A CA 0.998 53.039 52.037 0.007 0.000 0.627 49 A CB -0.897 18.108 19.000 0.007 0.000 0.818 49 A HN 0.172 nan 8.150 nan 0.000 0.445 50 L N -0.052 121.176 121.223 0.009 0.000 2.131 50 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 50 L C 2.896 179.770 176.870 0.008 0.000 1.092 50 L CA 1.792 56.638 54.840 0.010 0.000 0.759 50 L CB -0.838 41.227 42.059 0.009 0.000 0.903 50 L HN 0.687 nan 8.230 nan 0.000 0.435 51 T N -3.302 111.255 114.554 0.006 0.000 3.023 51 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 51 T C 1.650 176.354 174.700 0.006 0.000 1.093 51 T CA 0.639 62.741 62.100 0.004 0.000 1.129 51 T CB -0.128 68.742 68.868 0.003 0.000 0.899 51 T HN 0.269 nan 8.240 nan 0.000 0.491 52 A N 0.529 123.353 122.820 0.007 0.000 2.252 52 A HA 0.734 5.054 4.320 -0.000 0.000 0.207 52 A C 2.178 179.768 177.584 0.010 0.000 1.194 52 A CA 0.598 52.639 52.037 0.008 0.000 0.809 52 A CB -0.725 18.279 19.000 0.007 0.000 0.814 52 A HN 0.683 nan 8.150 nan 0.000 0.482 53 A N -2.306 120.521 122.820 0.012 0.000 2.259 53 A HA 0.493 4.813 4.320 -0.000 0.000 0.213 53 A C 1.478 179.071 177.584 0.015 0.000 1.209 53 A CA 1.027 53.073 52.037 0.015 0.000 0.910 53 A CB 0.042 19.053 19.000 0.019 0.000 0.946 53 A HN 1.647 nan 8.150 nan 0.000 0.497 54 G N -1.789 107.017 108.800 0.011 0.000 2.159 54 G HA2 0.265 4.225 3.960 -0.000 0.000 0.170 54 G HA3 0.265 4.225 3.960 -0.000 0.000 0.170 54 G C 0.346 175.251 174.900 0.007 0.000 1.007 54 G CA 0.156 45.263 45.100 0.011 0.000 0.672 54 G HN 1.353 nan 8.290 nan 0.000 0.507 55 A N -0.471 122.350 122.820 0.002 0.000 2.242 55 A HA 0.950 5.270 4.320 -0.000 0.000 0.304 55 A C 0.423 178.005 177.584 -0.004 0.000 1.100 55 A CA 0.584 52.617 52.037 -0.006 0.000 0.860 55 A CB 0.985 19.980 19.000 -0.008 0.000 1.168 55 A HN 0.804 nan 8.150 nan 0.000 0.503 56 T N 0.017 114.567 114.554 -0.008 0.000 2.906 56 T HA 0.529 4.879 4.350 -0.000 0.000 0.295 56 T C -1.029 173.668 174.700 -0.006 0.000 1.061 56 T CA -0.153 61.944 62.100 -0.005 0.000 1.000 56 T CB 1.195 70.060 68.868 -0.005 0.000 1.103 56 T HN 0.354 nan 8.240 nan 0.000 0.486 57 I N 2.556 123.124 120.570 -0.004 0.000 2.312 57 I HA 0.588 4.758 4.170 -0.000 0.000 0.290 57 I C 0.356 176.472 176.117 -0.003 0.000 1.008 57 I CA -0.294 61.004 61.300 -0.003 0.000 1.226 57 I CB 0.754 38.753 38.000 -0.002 0.000 1.371 57 I HN 0.840 nan 8.210 nan 0.000 0.468 58 A N 4.501 127.318 122.820 -0.004 0.000 2.295 58 A HA 0.670 4.990 4.320 -0.000 0.000 0.318 58 A C 0.894 178.477 177.584 -0.002 0.000 1.134 58 A CA -0.285 51.750 52.037 -0.003 0.000 0.827 58 A CB 0.740 19.738 19.000 -0.004 0.000 1.136 58 A HN 0.687 nan 8.150 nan 0.000 0.493 59 S N -0.296 115.403 115.700 -0.002 0.000 2.341 59 S HA -0.005 4.464 4.470 -0.000 0.000 0.204 59 S C 1.565 176.164 174.600 -0.001 0.000 1.038 59 S CA 1.376 59.576 58.200 -0.001 0.000 1.013 59 S CB -0.587 62.612 63.200 -0.001 0.000 0.994 59 S HN 1.139 nan 8.310 nan 0.000 0.430 60 T N -0.106 114.447 114.554 -0.001 0.000 2.753 60 T HA 0.581 4.931 4.350 -0.000 0.000 0.309 60 T C 1.143 175.843 174.700 0.000 0.000 1.043 60 T CA -0.021 62.078 62.100 -0.000 0.000 0.964 60 T CB 0.647 69.515 68.868 0.000 0.000 1.206 60 T HN 0.216 nan 8.240 nan 0.000 0.528 61 A N 0.341 123.162 122.820 0.001 0.000 1.871 61 A HA 0.499 4.819 4.320 -0.000 0.000 0.211 61 A C 2.608 180.195 177.584 0.004 0.000 1.207 61 A CA 1.020 53.059 52.037 0.003 0.000 0.620 61 A CB -1.400 17.603 19.000 0.004 0.000 0.860 61 A HN 1.288 nan 8.150 nan 0.000 0.450 62 A N -1.240 121.583 122.820 0.005 0.000 2.234 62 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 62 A C 1.858 179.444 177.584 0.004 0.000 1.167 62 A CA 1.790 53.831 52.037 0.006 0.000 0.698 62 A CB -0.343 18.660 19.000 0.005 0.000 0.779 62 A HN 0.452 nan 8.150 nan 0.000 0.475 63 Q N -1.717 118.084 119.800 0.002 0.000 2.360 63 Q HA 0.417 4.757 4.340 -0.000 0.000 0.202 63 Q C 1.387 177.386 176.000 -0.000 0.000 0.915 63 Q CA 0.854 56.658 55.803 0.001 0.000 0.943 63 Q CB 0.111 28.850 28.738 0.001 0.000 1.064 63 Q HN 0.580 nan 8.270 nan 0.000 0.511 64 A N -1.351 121.469 122.820 -0.000 0.000 2.419 64 A HA 0.300 4.620 4.320 -0.000 0.000 0.233 64 A C 1.118 178.699 177.584 -0.004 0.000 1.217 64 A CA -0.049 51.986 52.037 -0.004 0.000 0.944 64 A CB 0.372 19.369 19.000 -0.004 0.000 1.025 64 A HN 0.324 nan 8.150 nan 0.000 0.524 65 L N -0.452 120.772 121.223 0.002 0.000 2.642 65 L HA 0.019 4.359 4.340 -0.000 0.000 0.233 65 L C 2.657 179.531 176.870 0.007 0.000 1.077 65 L CA 0.948 55.791 54.840 0.006 0.000 0.879 65 L CB 0.030 42.097 42.059 0.013 0.000 1.151 65 L HN 0.489 nan 8.230 nan 0.000 0.495 66 S N 1.480 117.183 115.700 0.006 0.000 2.414 66 S HA -0.348 4.122 4.470 -0.000 0.000 0.238 66 S C 1.342 175.947 174.600 0.008 0.000 1.055 66 S CA 1.943 60.147 58.200 0.007 0.000 1.174 66 S CB -0.726 62.477 63.200 0.005 0.000 1.087 66 S HN 0.658 nan 8.310 nan 0.000 0.428 67 Q N 1.240 121.044 119.800 0.006 0.000 2.341 67 Q HA 0.698 5.038 4.340 -0.000 0.000 0.325 67 Q C -0.311 175.693 176.000 0.007 0.000 0.920 67 Q CA -0.205 55.603 55.803 0.008 0.000 1.065 67 Q CB 0.296 29.038 28.738 0.008 0.000 1.218 67 Q HN 0.583 nan 8.270 nan 0.000 0.434 68 A N 0.995 123.818 122.820 0.005 0.000 2.310 68 A HA 0.209 4.529 4.320 -0.000 0.000 0.300 68 A C -0.082 177.508 177.584 0.009 0.000 1.269 68 A CA -0.493 51.542 52.037 -0.003 0.000 0.909 68 A CB 0.450 19.446 19.000 -0.007 0.000 1.144 68 A HN 0.266 nan 8.150 nan 0.000 0.540 69 D N 1.222 121.630 120.400 0.014 0.000 2.077 69 D HA -0.050 4.590 4.640 -0.000 0.000 0.193 69 D C 0.885 177.209 176.300 0.041 0.000 0.989 69 D CA 1.958 55.982 54.000 0.041 0.000 0.831 69 D CB -0.030 40.815 40.800 0.076 0.000 0.979 69 D HN 0.397 nan 8.370 nan 0.000 0.449 70 V N 0.201 120.114 119.914 -0.001 0.000 2.715 70 V HA 0.526 4.646 4.120 -0.000 0.000 0.310 70 V C -1.059 174.998 176.094 -0.062 0.000 1.054 70 V CA -0.636 61.662 62.300 -0.003 0.000 0.928 70 V CB 2.186 33.988 31.823 -0.033 0.000 1.007 70 V HN -0.137 nan 8.190 nan 0.000 0.437 71 V N 5.880 125.824 119.914 0.050 0.000 2.531 71 V HA 0.533 4.653 4.120 -0.000 0.000 0.301 71 V C -1.225 175.048 176.094 0.298 0.000 1.034 71 V CA -0.616 61.737 62.300 0.088 0.000 0.865 71 V CB 1.958 33.836 31.823 0.093 0.000 0.995 71 V HN 0.905 nan 8.190 nan 0.000 0.424 72 W N 4.201 125.517 121.300 0.027 0.000 2.520 72 W HA 0.755 5.415 4.660 -0.000 0.000 0.323 72 W C 0.152 176.706 176.519 0.060 0.000 1.062 72 W CA -1.131 56.248 57.345 0.057 0.000 1.215 72 W CB 1.462 30.946 29.460 0.040 0.000 1.340 72 W HN 0.438 nan 8.180 nan 0.000 0.516 73 K N 0.755 121.316 120.400 0.267 0.000 2.305 73 K HA 0.579 4.899 4.320 -0.000 0.000 0.268 73 K C -0.168 176.496 176.600 0.107 0.000 1.034 73 K CA -0.723 55.650 56.287 0.143 0.000 0.879 73 K CB 2.299 34.862 32.500 0.107 0.000 1.506 73 K HN 0.099 nan 8.250 nan 0.000 0.425 74 V N -0.306 119.583 119.914 -0.042 0.000 3.097 74 V HA 0.092 4.212 4.120 -0.000 0.000 0.223 74 V C -0.047 176.015 176.094 -0.053 0.000 1.199 74 V CA 0.330 62.480 62.300 -0.249 0.000 1.260 74 V CB 0.415 31.894 31.823 -0.573 0.000 1.155 74 V HN 0.553 nan 8.190 nan 0.000 0.509 75 Q N 1.446 121.196 119.800 -0.083 0.000 2.299 75 Q HA 0.303 4.643 4.340 -0.000 0.000 0.246 75 Q C 0.346 176.359 176.000 0.021 0.000 0.935 75 Q CA -0.263 55.512 55.803 -0.045 0.000 0.887 75 Q CB 0.783 29.478 28.738 -0.073 0.000 1.223 75 Q HN 0.535 nan 8.270 nan 0.000 0.439 76 R N 2.609 123.139 120.500 0.050 0.000 2.811 76 R HA 0.217 4.557 4.340 -0.000 0.000 0.265 76 R C -2.124 174.197 176.300 0.035 0.000 1.026 76 R CA -1.154 54.983 56.100 0.062 0.000 1.142 76 R CB -0.681 29.660 30.300 0.069 0.000 1.027 76 R HN 0.349 nan 8.270 nan 0.000 0.465 77 P HA 0.033 nan 4.420 nan 0.000 0.272 77 P C -0.616 176.695 177.300 0.018 0.000 1.240 77 P CA -0.041 63.075 63.100 0.026 0.000 0.791 77 P CB 0.550 32.269 31.700 0.032 0.000 0.978 78 M N 0.868 120.476 119.600 0.012 0.000 2.238 78 M HA 0.259 4.739 4.480 -0.000 0.000 0.350 78 M C 0.483 176.789 176.300 0.009 0.000 1.138 78 M CA -0.304 55.001 55.300 0.008 0.000 1.040 78 M CB 1.278 33.880 32.600 0.003 0.000 1.639 78 M HN 0.364 nan 8.290 nan 0.000 0.451 79 T N -0.082 114.477 114.554 0.008 0.000 2.874 79 T HA 0.493 4.843 4.350 -0.000 0.000 0.281 79 T C 1.103 175.806 174.700 0.006 0.000 0.994 79 T CA -0.519 61.586 62.100 0.008 0.000 1.015 79 T CB 1.299 70.172 68.868 0.008 0.000 1.028 79 T HN 0.705 nan 8.240 nan 0.000 0.523 80 A N -0.004 122.819 122.820 0.006 0.000 2.172 80 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 80 A C 2.025 179.612 177.584 0.004 0.000 1.154 80 A CA 1.464 53.504 52.037 0.005 0.000 0.701 80 A CB -0.984 18.018 19.000 0.005 0.000 0.789 80 A HN 0.949 nan 8.150 nan 0.000 0.465 81 E N 0.667 120.869 120.200 0.004 0.000 2.482 81 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 81 E C 0.897 177.499 176.600 0.003 0.000 1.047 81 E CA 0.890 57.293 56.400 0.004 0.000 0.869 81 E CB -0.189 29.513 29.700 0.005 0.000 0.836 81 E HN 0.686 nan 8.360 nan 0.000 0.520 82 E N -1.165 119.036 120.200 0.003 0.000 2.651 82 E HA 0.267 4.617 4.350 -0.000 0.000 0.208 82 E C 0.615 177.215 176.600 0.001 0.000 0.997 82 E CA 0.183 56.584 56.400 0.002 0.000 1.020 82 E CB 0.764 30.465 29.700 0.002 0.000 1.052 82 E HN 0.309 nan 8.360 nan 0.000 0.465 83 G N 1.585 110.386 108.800 0.001 0.000 2.205 83 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.261 83 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.261 83 G C 0.416 175.316 174.900 0.001 0.000 0.980 83 G CA 0.707 45.807 45.100 0.001 0.000 0.632 83 G HN 0.357 nan 8.290 nan 0.000 0.533 84 T N -0.641 113.914 114.554 0.001 0.000 3.393 84 T HA 0.431 4.781 4.350 -0.000 0.000 0.359 84 T C -2.180 172.522 174.700 0.004 0.000 1.380 84 T CA 0.216 62.317 62.100 0.002 0.000 1.132 84 T CB 1.629 70.497 68.868 0.001 0.000 1.284 84 T HN 0.133 nan 8.240 nan 0.000 0.477 85 D N 3.301 123.703 120.400 0.005 0.000 2.380 85 D HA 0.343 4.983 4.640 -0.000 0.000 0.230 85 D C 1.158 177.463 176.300 0.008 0.000 1.154 85 D CA -0.175 53.828 54.000 0.007 0.000 0.859 85 D CB 1.028 41.832 40.800 0.007 0.000 1.045 85 D HN 0.523 nan 8.370 nan 0.000 0.495 86 E N 1.949 122.155 120.200 0.010 0.000 2.102 86 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 86 E C 2.176 178.787 176.600 0.017 0.000 0.971 86 E CA 0.649 57.056 56.400 0.013 0.000 0.821 86 E CB 0.158 29.866 29.700 0.014 0.000 0.777 86 E HN 0.514 nan 8.360 nan 0.000 0.460 87 V N -0.245 119.679 119.914 0.017 0.000 2.568 87 V HA -0.149 3.971 4.120 -0.000 0.000 0.253 87 V C 2.334 178.438 176.094 0.017 0.000 1.072 87 V CA 1.695 64.006 62.300 0.019 0.000 1.084 87 V CB -0.983 30.850 31.823 0.017 0.000 0.676 87 V HN 0.136 nan 8.190 nan 0.000 0.469 88 A N 1.114 123.942 122.820 0.013 0.000 1.940 88 A HA -0.100 4.219 4.320 -0.000 0.000 0.219 88 A C 2.047 179.639 177.584 0.012 0.000 1.176 88 A CA 2.312 54.356 52.037 0.011 0.000 0.631 88 A CB -0.722 18.283 19.000 0.009 0.000 0.814 88 A HN 0.591 nan 8.150 nan 0.000 0.446 89 L N -0.221 121.010 121.223 0.013 0.000 2.376 89 L HA 0.072 4.412 4.340 -0.000 0.000 0.219 89 L C 0.649 177.528 176.870 0.016 0.000 1.133 89 L CA 0.580 55.428 54.840 0.013 0.000 0.816 89 L CB -0.681 41.386 42.059 0.013 0.000 0.933 89 L HN 0.306 nan 8.230 nan 0.000 0.449 90 I N 1.251 121.833 120.570 0.021 0.000 2.416 90 I HA 0.067 4.237 4.170 -0.000 0.000 0.288 90 I C 0.734 176.864 176.117 0.021 0.000 1.051 90 I CA -0.510 60.805 61.300 0.025 0.000 1.375 90 I CB 0.507 38.527 38.000 0.033 0.000 1.407 90 I HN 0.174 nan 8.210 nan 0.000 0.516 91 K N 7.442 127.854 120.400 0.020 0.000 2.379 91 K HA 0.154 4.474 4.320 -0.000 0.000 0.284 91 K C -0.006 176.606 176.600 0.020 0.000 1.044 91 K CA -0.516 55.782 56.287 0.018 0.000 0.974 91 K CB 0.662 33.172 32.500 0.017 0.000 0.962 91 K HN 0.603 nan 8.250 nan 0.000 0.474 92 E N 2.549 122.759 120.200 0.017 0.000 2.641 92 E HA -0.128 4.222 4.350 -0.000 0.000 0.272 92 E C 0.750 177.361 176.600 0.019 0.000 0.990 92 E CA 0.641 57.051 56.400 0.016 0.000 0.971 92 E CB -0.235 29.472 29.700 0.012 0.000 0.967 92 E HN 0.974 nan 8.360 nan 0.000 0.464 93 G N 0.985 109.796 108.800 0.018 0.000 2.196 93 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.268 93 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.268 93 G C 0.418 175.338 174.900 0.033 0.000 0.975 93 G CA 0.480 45.593 45.100 0.021 0.000 0.648 93 G HN 1.001 nan 8.290 nan 0.000 0.538 94 A N -0.990 121.852 122.820 0.037 0.000 2.259 94 A HA 0.814 5.134 4.320 -0.000 0.000 0.278 94 A C 0.487 178.113 177.584 0.070 0.000 1.107 94 A CA 0.273 52.342 52.037 0.052 0.000 0.828 94 A CB 1.120 20.148 19.000 0.046 0.000 1.111 94 A HN 1.073 nan 8.150 nan 0.000 0.498 95 V N 0.792 120.769 119.914 0.105 0.000 2.612 95 V HA 0.478 4.598 4.120 -0.000 0.000 0.301 95 V C -0.325 175.879 176.094 0.183 0.000 1.046 95 V CA -0.595 61.802 62.300 0.162 0.000 0.946 95 V CB 1.505 33.483 31.823 0.259 0.000 1.003 95 V HN 0.717 nan 8.190 nan 0.000 0.459 96 L N 5.559 126.908 121.223 0.210 0.000 2.406 96 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 96 L C -1.217 175.830 176.870 0.294 0.000 0.980 96 L CA -0.321 54.649 54.840 0.217 0.000 0.831 96 L CB 1.718 43.853 42.059 0.126 0.000 1.253 96 L HN 0.710 nan 8.230 nan 0.000 0.406 97 M N 5.987 125.789 119.600 0.337 0.000 2.321 97 M HA 0.617 5.097 4.480 -0.000 0.000 0.315 97 M C -0.548 175.837 176.300 0.142 0.000 1.052 97 M CA -0.409 55.048 55.300 0.262 0.000 0.936 97 M CB 1.998 34.783 32.600 0.308 0.000 1.639 97 M HN 0.865 nan 8.290 nan 0.000 0.433 98 C N -0.430 118.911 119.300 0.069 0.000 3.132 98 C HA 0.339 4.798 4.460 -0.000 0.000 0.336 98 C C -1.059 173.999 174.990 0.113 0.000 1.387 98 C CA -1.046 58.050 59.018 0.130 0.000 1.202 98 C CB 1.410 29.246 27.740 0.160 0.000 1.451 98 C HN 0.945 nan 8.230 nan 0.000 0.433 99 H N 1.855 121.000 119.070 0.126 0.000 2.908 99 H HA 0.405 4.961 4.556 -0.000 0.000 0.269 99 H C 0.531 175.879 175.328 0.035 0.000 1.303 99 H CA -0.083 56.006 56.048 0.069 0.000 1.341 99 H CB 0.906 30.752 29.762 0.141 0.000 1.519 99 H HN 0.673 nan 8.280 nan 0.000 0.505 100 L N 4.258 125.538 121.223 0.095 0.000 2.141 100 L HA 0.073 4.413 4.340 -0.000 0.000 0.209 100 L C 1.760 178.706 176.870 0.126 0.000 1.094 100 L CA 1.701 56.594 54.840 0.089 0.000 0.763 100 L CB -0.649 41.408 42.059 -0.003 0.000 0.908 100 L HN 0.975 nan 8.230 nan 0.000 0.437 101 G N -1.290 107.568 108.800 0.097 0.000 2.356 101 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.296 101 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.296 101 G C 1.198 176.124 174.900 0.042 0.000 1.022 101 G CA 0.787 45.972 45.100 0.142 0.000 0.961 101 G HN 0.761 nan 8.290 nan 0.000 0.510 102 A N -1.072 121.734 122.820 -0.023 0.000 2.019 102 A HA 0.244 4.564 4.320 -0.000 0.000 0.219 102 A C 2.086 179.658 177.584 -0.020 0.000 1.164 102 A CA 1.672 53.690 52.037 -0.031 0.000 0.644 102 A CB -0.058 18.894 19.000 -0.079 0.000 0.805 102 A HN 0.837 nan 8.150 nan 0.000 0.449 103 L N -0.224 120.987 121.223 -0.021 0.000 2.645 103 L HA 0.107 4.447 4.340 -0.000 0.000 0.235 103 L C 0.662 177.542 176.870 0.017 0.000 1.150 103 L CA 1.362 56.203 54.840 0.003 0.000 0.911 103 L CB -0.159 41.902 42.059 0.003 0.000 1.077 103 L HN 0.279 nan 8.230 nan 0.000 0.438 104 T N -2.458 112.108 114.554 0.020 0.000 3.594 104 T HA 0.223 4.573 4.350 -0.000 0.000 0.315 104 T C 0.449 175.162 174.700 0.022 0.000 0.912 104 T CA -0.237 61.877 62.100 0.023 0.000 0.985 104 T CB 0.022 68.908 68.868 0.029 0.000 1.201 104 T HN 0.064 nan 8.240 nan 0.000 0.569 105 N N 1.191 119.903 118.700 0.019 0.000 2.651 105 N HA 0.206 4.946 4.740 -0.000 0.000 0.277 105 N C 0.882 176.400 175.510 0.013 0.000 1.787 105 N CA -0.220 52.841 53.050 0.018 0.000 0.818 105 N CB 1.017 39.519 38.487 0.024 0.000 1.316 105 N HN 0.116 nan 8.380 nan 0.000 0.503 106 R N 1.417 121.924 120.500 0.012 0.000 2.139 106 R HA -0.076 4.264 4.340 -0.000 0.000 0.243 106 R C -0.705 175.601 176.300 0.009 0.000 1.145 106 R CA 1.675 57.781 56.100 0.011 0.000 0.976 106 R CB -0.280 30.027 30.300 0.013 0.000 0.866 106 R HN 0.291 nan 8.270 nan 0.000 0.449 107 P HA -0.043 nan 4.420 nan 0.000 0.224 107 P C 1.137 178.442 177.300 0.009 0.000 1.157 107 P CA 0.971 64.076 63.100 0.009 0.000 0.799 107 P CB 0.136 31.841 31.700 0.008 0.000 0.809 108 V N 0.191 120.111 119.914 0.010 0.000 2.667 108 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 108 V C 2.773 178.872 176.094 0.008 0.000 1.065 108 V CA 1.322 63.629 62.300 0.011 0.000 1.083 108 V CB -0.901 30.931 31.823 0.016 0.000 0.692 108 V HN -0.059 nan 8.190 nan 0.000 0.468 109 V N -0.782 119.135 119.914 0.005 0.000 2.488 109 V HA -0.097 4.022 4.120 -0.000 0.000 0.246 109 V C 2.473 178.567 176.094 0.000 0.000 1.046 109 V CA 1.238 63.537 62.300 -0.001 0.000 1.053 109 V CB -0.519 31.301 31.823 -0.004 0.000 0.679 109 V HN 0.473 nan 8.190 nan 0.000 0.458 110 E N 1.347 121.549 120.200 0.004 0.000 2.007 110 E HA -0.247 4.103 4.350 -0.000 0.000 0.203 110 E C 2.271 178.873 176.600 0.004 0.000 1.020 110 E CA 1.781 58.183 56.400 0.004 0.000 0.845 110 E CB -0.682 29.021 29.700 0.006 0.000 0.779 110 E HN 0.513 nan 8.360 nan 0.000 0.466 111 A N 0.691 123.514 122.820 0.005 0.000 2.272 111 A HA -0.117 4.203 4.320 -0.000 0.000 0.213 111 A C 2.076 179.664 177.584 0.007 0.000 1.183 111 A CA 0.831 52.871 52.037 0.006 0.000 0.719 111 A CB -0.459 18.545 19.000 0.007 0.000 0.771 111 A HN 0.187 nan 8.150 nan 0.000 0.484 112 L N -2.683 118.542 121.223 0.005 0.000 2.388 112 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 112 L C 2.531 179.401 176.870 -0.001 0.000 1.061 112 L CA 1.050 55.893 54.840 0.004 0.000 0.834 112 L CB -0.096 41.965 42.059 0.003 0.000 1.029 112 L HN 0.314 nan 8.230 nan 0.000 0.473 113 T N -0.251 114.301 114.554 -0.003 0.000 2.812 113 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 113 T C 1.865 176.565 174.700 -0.001 0.000 1.042 113 T CA 0.872 62.969 62.100 -0.005 0.000 1.140 113 T CB 0.081 68.946 68.868 -0.004 0.000 0.870 113 T HN 0.131 nan 8.240 nan 0.000 0.445 114 K N 1.510 121.911 120.400 0.002 0.000 2.020 114 K HA -0.055 4.265 4.320 -0.000 0.000 0.212 114 K C 1.928 178.530 176.600 0.004 0.000 1.050 114 K CA 1.252 57.541 56.287 0.003 0.000 0.929 114 K CB -0.313 32.190 32.500 0.004 0.000 0.714 114 K HN 0.328 nan 8.250 nan 0.000 0.443 115 R N 1.519 122.022 120.500 0.005 0.000 2.346 115 R HA 0.051 4.391 4.340 -0.000 0.000 0.225 115 R C -0.326 175.978 176.300 0.006 0.000 0.987 115 R CA -0.085 56.019 56.100 0.007 0.000 1.106 115 R CB -0.215 30.090 30.300 0.009 0.000 1.090 115 R HN 0.155 nan 8.270 nan 0.000 0.502 116 K N 1.171 121.573 120.400 0.003 0.000 4.075 116 K HA -0.185 4.135 4.320 -0.000 0.000 0.278 116 K C -0.735 175.866 176.600 0.002 0.000 0.862 116 K CA 0.666 56.954 56.287 0.001 0.000 0.762 116 K CB -1.082 31.419 32.500 0.003 0.000 1.660 116 K HN 0.332 nan 8.250 nan 0.000 0.437 117 I N 0.969 121.538 120.570 -0.002 0.000 2.410 117 I HA 0.056 4.226 4.170 -0.000 0.000 0.286 117 I C 0.620 176.725 176.117 -0.021 0.000 1.009 117 I CA -0.727 60.574 61.300 0.002 0.000 1.111 117 I CB 1.890 39.898 38.000 0.013 0.000 1.262 117 I HN 0.145 nan 8.210 nan 0.000 0.443 118 T N 5.712 120.247 114.554 -0.032 0.000 2.834 118 T HA 0.595 4.945 4.350 -0.000 0.000 0.298 118 T C -0.219 174.397 174.700 -0.141 0.000 0.966 118 T CA -0.255 61.781 62.100 -0.106 0.000 1.141 118 T CB 0.219 69.023 68.868 -0.107 0.000 0.905 118 T HN 0.711 nan 8.240 nan 0.000 0.535 119 A N 4.875 127.555 122.820 -0.233 0.000 2.475 119 A HA 0.723 5.043 4.320 -0.000 0.000 0.301 119 A C -1.819 175.583 177.584 -0.304 0.000 1.059 119 A CA -0.766 51.170 52.037 -0.169 0.000 0.710 119 A CB 1.207 20.189 19.000 -0.030 0.000 1.288 119 A HN 0.836 nan 8.150 nan 0.000 0.408 120 Y N 0.431 120.777 120.300 0.077 0.000 2.352 120 Y HA 0.591 5.141 4.550 -0.000 0.000 0.339 120 Y C 0.628 176.474 175.900 -0.091 0.000 0.992 120 Y CA -0.515 57.600 58.100 0.024 0.000 1.100 120 Y CB 2.150 40.688 38.460 0.130 0.000 1.192 120 Y HN 0.806 nan 8.280 nan 0.000 0.458 121 A N 4.616 127.423 122.820 -0.022 0.000 2.366 121 A HA 0.311 4.631 4.320 -0.000 0.000 0.322 121 A C 0.962 178.402 177.584 -0.240 0.000 1.397 121 A CA -0.602 51.353 52.037 -0.136 0.000 0.984 121 A CB 0.050 18.944 19.000 -0.178 0.000 1.149 121 A HN 0.890 nan 8.150 nan 0.000 0.540 122 M N 1.547 120.969 119.600 -0.296 0.000 2.337 122 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 122 M C 1.872 177.951 176.300 -0.369 0.000 1.067 122 M CA 1.475 56.529 55.300 -0.410 0.000 1.074 122 M CB -0.802 31.532 32.600 -0.443 0.000 1.395 122 M HN 0.923 nan 8.290 nan 0.000 0.431 123 E N 0.360 120.306 120.200 -0.424 0.000 2.494 123 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 123 E C 1.250 177.694 176.600 -0.260 0.000 1.074 123 E CA 0.424 56.579 56.400 -0.409 0.000 0.867 123 E CB -0.451 28.797 29.700 -0.754 0.000 0.924 123 E HN 0.506 nan 8.360 nan 0.000 0.502 124 L N 0.452 121.534 121.223 -0.234 0.000 2.728 124 L HA 0.292 4.632 4.340 -0.000 0.000 0.238 124 L C 0.706 177.512 176.870 -0.105 0.000 1.143 124 L CA -0.675 54.073 54.840 -0.152 0.000 0.937 124 L CB 0.088 42.038 42.059 -0.183 0.000 1.225 124 L HN 0.040 nan 8.230 nan 0.000 0.507 125 M N 3.612 123.123 119.600 -0.149 0.000 2.408 125 M HA 0.062 4.542 4.480 -0.000 0.000 0.363 125 M C -1.905 174.364 176.300 -0.052 0.000 1.636 125 M CA -1.719 53.511 55.300 -0.117 0.000 1.029 125 M CB -0.167 32.337 32.600 -0.160 0.000 2.068 125 M HN -0.172 nan 8.290 nan 0.000 0.466 126 P HA -0.072 nan 4.420 nan 0.000 0.260 126 P C -0.985 176.313 177.300 -0.003 0.000 1.185 126 P CA 0.427 63.532 63.100 0.010 0.000 0.763 126 P CB 0.053 31.774 31.700 0.035 0.000 0.776 127 R N 3.141 123.636 120.500 -0.007 0.000 2.606 127 R HA 0.214 4.554 4.340 -0.000 0.000 0.276 127 R C 0.275 176.572 176.300 -0.005 0.000 1.416 127 R CA -0.095 55.998 56.100 -0.011 0.000 1.064 127 R CB -0.670 29.623 30.300 -0.012 0.000 1.117 127 R HN 0.482 nan 8.270 nan 0.000 0.543 128 I N 0.531 121.099 120.570 -0.003 0.000 2.619 128 I HA 0.078 4.248 4.170 -0.000 0.000 0.292 128 I C 0.962 177.078 176.117 -0.002 0.000 1.100 128 I CA -0.495 60.805 61.300 0.001 0.000 1.043 128 I CB 2.129 40.135 38.000 0.009 0.000 1.239 128 I HN 0.414 nan 8.210 nan 0.000 0.420 129 S N 5.030 120.729 115.700 -0.003 0.000 2.609 129 S HA -0.174 4.296 4.470 -0.000 0.000 0.250 129 S C 1.187 175.785 174.600 -0.003 0.000 0.974 129 S CA 1.336 59.533 58.200 -0.005 0.000 0.962 129 S CB -0.835 62.363 63.200 -0.004 0.000 0.756 129 S HN 0.860 nan 8.310 nan 0.000 0.539 130 R N -0.961 119.540 120.500 0.002 0.000 2.469 130 R HA 0.609 4.949 4.340 -0.000 0.000 0.250 130 R C 1.484 177.788 176.300 0.007 0.000 0.909 130 R CA 0.500 56.603 56.100 0.005 0.000 1.050 130 R CB -0.508 29.798 30.300 0.010 0.000 1.256 130 R HN 0.228 nan 8.270 nan 0.000 0.550 131 A N 0.848 123.671 122.820 0.005 0.000 2.238 131 A HA 0.113 4.433 4.320 -0.000 0.000 0.210 131 A C 1.509 179.081 177.584 -0.020 0.000 1.179 131 A CA -0.031 52.009 52.037 0.005 0.000 0.827 131 A CB -0.236 18.768 19.000 0.007 0.000 0.856 131 A HN 0.370 nan 8.150 nan 0.000 0.488 132 Q N 0.447 120.234 119.800 -0.022 0.000 2.182 132 Q HA -0.258 4.082 4.340 -0.000 0.000 0.213 132 Q C 1.999 177.974 176.000 -0.042 0.000 1.000 132 Q CA 2.155 57.940 55.803 -0.030 0.000 0.889 132 Q CB -0.378 28.347 28.738 -0.021 0.000 0.932 132 Q HN 0.796 nan 8.270 nan 0.000 0.415 133 S N -1.507 114.169 115.700 -0.040 0.000 2.671 133 S HA 0.138 4.608 4.470 -0.000 0.000 0.220 133 S C 1.353 175.905 174.600 -0.079 0.000 0.951 133 S CA -0.019 58.149 58.200 -0.053 0.000 0.932 133 S CB 0.154 63.332 63.200 -0.037 0.000 0.777 133 S HN 0.250 nan 8.310 nan 0.000 0.508 134 M N 0.666 120.215 119.600 -0.086 0.000 2.331 134 M HA 0.300 4.780 4.480 -0.000 0.000 0.266 134 M C -0.191 175.982 176.300 -0.211 0.000 1.055 134 M CA -0.065 55.159 55.300 -0.126 0.000 1.048 134 M CB 0.389 32.963 32.600 -0.043 0.000 1.460 134 M HN 0.138 nan 8.290 nan 0.000 0.519 135 D N 1.968 122.267 120.400 -0.168 0.000 2.380 135 D HA 0.144 4.784 4.640 -0.000 0.000 0.230 135 D C 1.135 177.316 176.300 -0.198 0.000 1.154 135 D CA -0.151 53.740 54.000 -0.182 0.000 0.859 135 D CB 0.706 41.437 40.800 -0.114 0.000 1.045 135 D HN 0.385 nan 8.370 nan 0.000 0.495 136 I N 1.364 121.763 120.570 -0.285 0.000 2.315 136 I HA -0.173 3.996 4.170 -0.000 0.000 0.248 136 I C 1.667 177.732 176.117 -0.088 0.000 1.117 136 I CA 0.640 61.766 61.300 -0.290 0.000 1.404 136 I CB -0.245 37.417 38.000 -0.563 0.000 1.071 136 I HN 0.300 nan 8.210 nan 0.000 0.419 137 L N 0.973 122.166 121.223 -0.049 0.000 2.189 137 L HA -0.197 4.143 4.340 -0.000 0.000 0.214 137 L C 2.812 179.685 176.870 0.004 0.000 1.097 137 L CA 1.680 56.531 54.840 0.018 0.000 0.764 137 L CB -0.716 41.348 42.059 0.009 0.000 0.900 137 L HN 0.445 nan 8.230 nan 0.000 0.436 138 S N -0.658 115.025 115.700 -0.028 0.000 2.406 138 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 138 S C 2.209 176.800 174.600 -0.014 0.000 1.030 138 S CA 1.077 59.264 58.200 -0.020 0.000 0.958 138 S CB 0.031 63.210 63.200 -0.036 0.000 0.811 138 S HN 0.589 nan 8.310 nan 0.000 0.489 139 S N 0.673 116.357 115.700 -0.026 0.000 2.406 139 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 139 S C 1.890 176.502 174.600 0.020 0.000 1.030 139 S CA 0.232 58.424 58.200 -0.013 0.000 0.958 139 S CB -0.444 62.736 63.200 -0.033 0.000 0.811 139 S HN 0.464 nan 8.310 nan 0.000 0.489 140 Q N 2.121 121.949 119.800 0.047 0.000 2.033 140 Q HA -0.013 4.327 4.340 -0.000 0.000 0.196 140 Q C 2.769 178.800 176.000 0.051 0.000 0.970 140 Q CA 1.768 57.613 55.803 0.071 0.000 0.828 140 Q CB -1.066 27.746 28.738 0.122 0.000 0.895 140 Q HN 0.789 nan 8.270 nan 0.000 0.440 141 S N 1.464 117.192 115.700 0.047 0.000 2.400 141 S HA -0.225 4.245 4.470 -0.000 0.000 0.232 141 S C 1.748 176.376 174.600 0.047 0.000 1.025 141 S CA 1.540 59.766 58.200 0.044 0.000 0.993 141 S CB -0.465 62.758 63.200 0.039 0.000 0.808 141 S HN 0.416 nan 8.310 nan 0.000 0.478 142 N N 1.765 120.488 118.700 0.039 0.000 2.104 142 N HA -0.056 4.684 4.740 -0.000 0.000 0.190 142 N C 1.640 177.186 175.510 0.061 0.000 1.024 142 N CA 1.894 54.969 53.050 0.041 0.000 0.853 142 N CB -0.559 37.941 38.487 0.021 0.000 1.008 142 N HN 0.540 nan 8.380 nan 0.000 0.424 143 L N -0.567 120.686 121.223 0.051 0.000 2.179 143 L HA 0.104 4.444 4.340 -0.000 0.000 0.208 143 L C 2.408 179.354 176.870 0.126 0.000 1.096 143 L CA 0.838 55.719 54.840 0.068 0.000 0.779 143 L CB -0.588 41.483 42.059 0.020 0.000 0.922 143 L HN 0.237 nan 8.230 nan 0.000 0.443 144 A N 0.442 123.313 122.820 0.083 0.000 2.070 144 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 144 A C 2.310 179.944 177.584 0.084 0.000 1.159 144 A CA 1.592 53.673 52.037 0.074 0.000 0.656 144 A CB -0.911 18.119 19.000 0.049 0.000 0.800 144 A HN 0.448 nan 8.150 nan 0.000 0.453 145 G N -2.098 106.761 108.800 0.098 0.000 2.494 145 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.216 145 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.216 145 G C 1.410 176.377 174.900 0.112 0.000 1.140 145 G CA 1.034 46.189 45.100 0.092 0.000 0.801 145 G HN 0.626 nan 8.290 nan 0.000 0.536 146 Y N 1.359 121.669 120.300 0.017 0.000 2.176 146 Y HA 0.092 4.641 4.550 -0.000 0.000 0.291 146 Y C 2.774 178.677 175.900 0.004 0.000 1.122 146 Y CA 1.427 59.534 58.100 0.011 0.000 1.128 146 Y CB -0.143 38.319 38.460 0.003 0.000 1.005 146 Y HN 0.100 nan 8.280 nan 0.000 0.509 147 R N 1.489 122.080 120.500 0.152 0.000 2.261 147 R HA -0.154 4.186 4.340 -0.000 0.000 0.236 147 R C 1.955 178.212 176.300 -0.072 0.000 1.141 147 R CA 1.260 57.369 56.100 0.016 0.000 1.001 147 R CB -0.944 29.407 30.300 0.084 0.000 0.866 147 R HN 0.553 nan 8.270 nan 0.000 0.468 148 A N -0.515 122.281 122.820 -0.040 0.000 1.828 148 A HA -0.108 4.211 4.320 -0.000 0.000 0.215 148 A C 2.201 179.755 177.584 -0.049 0.000 1.203 148 A CA 1.734 53.762 52.037 -0.015 0.000 0.614 148 A CB -0.990 18.018 19.000 0.013 0.000 0.844 148 A HN 0.137 nan 8.150 nan 0.000 0.445 149 V N 0.904 120.766 119.914 -0.086 0.000 2.453 149 V HA -0.265 3.855 4.120 -0.000 0.000 0.252 149 V C 2.369 178.352 176.094 -0.185 0.000 1.068 149 V CA 1.727 63.980 62.300 -0.079 0.000 1.070 149 V CB -0.819 30.953 31.823 -0.084 0.000 0.664 149 V HN 0.513 nan 8.190 nan 0.000 0.461 150 I N -0.005 120.384 120.570 -0.301 0.000 2.394 150 I HA -0.140 4.029 4.170 -0.000 0.000 0.251 150 I C 2.119 178.181 176.117 -0.092 0.000 1.136 150 I CA 1.456 62.591 61.300 -0.276 0.000 1.425 150 I CB -1.088 36.695 38.000 -0.362 0.000 1.079 150 I HN 0.357 nan 8.210 nan 0.000 0.425 151 D N 0.688 121.063 120.400 -0.041 0.000 2.277 151 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 151 D C 2.180 178.565 176.300 0.143 0.000 0.962 151 D CA 1.052 55.088 54.000 0.060 0.000 0.865 151 D CB 0.049 40.906 40.800 0.096 0.000 0.939 151 D HN 0.329 nan 8.370 nan 0.000 0.510 152 G N 1.223 110.081 108.800 0.098 0.000 2.454 152 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.214 152 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.214 152 G C 1.749 176.802 174.900 0.254 0.000 1.217 152 G CA 1.176 46.366 45.100 0.151 0.000 0.799 152 G HN 0.314 nan 8.290 nan 0.000 0.538 153 A N -0.180 122.735 122.820 0.159 0.000 1.958 153 A HA -0.189 4.131 4.320 -0.000 0.000 0.221 153 A C 2.225 179.932 177.584 0.205 0.000 1.178 153 A CA 2.092 54.182 52.037 0.088 0.000 0.642 153 A CB -0.738 17.898 19.000 -0.605 0.000 0.816 153 A HN 0.571 nan 8.150 nan 0.000 0.453 154 Y N 0.291 120.619 120.300 0.047 0.000 2.220 154 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 154 Y C 2.005 177.970 175.900 0.108 0.000 1.129 154 Y CA 1.879 60.012 58.100 0.055 0.000 1.161 154 Y CB 0.122 38.597 38.460 0.024 0.000 0.997 154 Y HN 0.304 nan 8.280 nan 0.000 0.522 155 E N -0.247 120.130 120.200 0.296 0.000 2.502 155 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 155 E C -0.542 176.200 176.600 0.236 0.000 1.062 155 E CA 0.048 56.574 56.400 0.210 0.000 0.867 155 E CB -0.257 29.576 29.700 0.222 0.000 0.888 155 E HN 0.184 nan 8.360 nan 0.000 0.510 156 F N 1.363 121.357 119.950 0.072 0.000 2.410 156 F HA 0.335 4.862 4.527 -0.000 0.000 0.348 156 F C 1.018 176.834 175.800 0.027 0.000 1.106 156 F CA -1.589 56.459 58.000 0.081 0.000 1.163 156 F CB 1.136 40.258 39.000 0.202 0.000 1.129 156 F HN -0.153 nan 8.300 nan 0.000 0.516 157 A N 6.969 129.672 122.820 -0.195 0.000 2.268 157 A HA 0.238 4.558 4.320 -0.000 0.000 0.221 157 A C 0.457 177.773 177.584 -0.447 0.000 1.287 157 A CA 0.191 52.063 52.037 -0.276 0.000 0.902 157 A CB -0.881 18.010 19.000 -0.182 0.000 0.877 157 A HN 0.782 nan 8.150 nan 0.000 0.487 158 R N -3.479 116.630 120.500 -0.651 0.000 2.752 158 R HA 0.666 5.006 4.340 -0.000 0.000 0.277 158 R C -0.597 175.595 176.300 -0.180 0.000 1.024 158 R CA -0.397 55.420 56.100 -0.471 0.000 0.866 158 R CB 0.410 30.361 30.300 -0.582 0.000 1.278 158 R HN 0.263 nan 8.270 nan 0.000 0.473 159 A N 0.561 123.371 122.820 -0.017 0.000 2.340 159 A HA 0.502 4.822 4.320 -0.000 0.000 0.268 159 A C -0.127 177.655 177.584 0.329 0.000 1.100 159 A CA -0.616 51.528 52.037 0.179 0.000 0.803 159 A CB -0.094 18.967 19.000 0.101 0.000 1.043 159 A HN 0.563 nan 8.150 nan 0.000 0.488 160 F N 1.676 121.708 119.950 0.138 0.000 2.074 160 F HA 0.059 4.586 4.527 -0.000 0.000 0.293 160 F C -0.924 174.931 175.800 0.092 0.000 1.116 160 F CA 0.596 58.684 58.000 0.145 0.000 1.212 160 F CB -0.898 38.166 39.000 0.107 0.000 0.998 160 F HN 0.340 nan 8.300 nan 0.000 0.471 161 P HA -0.045 nan 4.420 nan 0.000 0.269 161 P C -0.306 177.052 177.300 0.096 0.000 1.209 161 P CA 0.003 63.191 63.100 0.147 0.000 0.776 161 P CB 0.690 32.463 31.700 0.121 0.000 0.876 162 M N 4.022 123.663 119.600 0.069 0.000 2.217 162 M HA 0.319 4.799 4.480 -0.000 0.000 0.354 162 M C -0.737 175.587 176.300 0.041 0.000 1.225 162 M CA 0.345 55.673 55.300 0.046 0.000 1.137 162 M CB 0.018 32.639 32.600 0.035 0.000 1.576 162 M HN 0.287 nan 8.290 nan 0.000 0.461 163 M N 5.637 125.255 119.600 0.031 0.000 2.149 163 M HA 0.344 4.824 4.480 -0.000 0.000 0.273 163 M C -1.454 174.857 176.300 0.018 0.000 0.972 163 M CA -0.537 54.779 55.300 0.026 0.000 0.984 163 M CB 2.065 34.681 32.600 0.026 0.000 1.699 163 M HN 0.634 nan 8.290 nan 0.000 0.462 164 M N 2.979 122.588 119.600 0.016 0.000 2.188 164 M HA 0.427 4.907 4.480 -0.000 0.000 0.354 164 M C 0.325 176.631 176.300 0.010 0.000 1.342 164 M CA 0.396 55.703 55.300 0.011 0.000 1.117 164 M CB 0.900 33.506 32.600 0.011 0.000 1.670 164 M HN 0.734 nan 8.290 nan 0.000 0.466 165 T N 0.078 114.636 114.554 0.007 0.000 2.816 165 T HA 0.780 5.130 4.350 -0.000 0.000 0.299 165 T C 0.791 175.493 174.700 0.003 0.000 1.230 165 T CA -0.472 61.631 62.100 0.006 0.000 1.007 165 T CB 1.107 69.978 68.868 0.005 0.000 1.289 165 T HN 0.525 nan 8.240 nan 0.000 0.508 166 A N 1.062 123.883 122.820 0.003 0.000 1.892 166 A HA 0.159 4.479 4.320 -0.000 0.000 0.218 166 A C 2.496 180.080 177.584 -0.000 0.000 1.188 166 A CA 2.405 54.443 52.037 0.001 0.000 0.631 166 A CB -1.591 17.410 19.000 0.001 0.000 0.822 166 A HN 1.636 nan 8.150 nan 0.000 0.447 167 A N -1.651 121.168 122.820 -0.001 0.000 2.248 167 A HA 0.430 4.750 4.320 -0.000 0.000 0.210 167 A C 1.350 178.932 177.584 -0.004 0.000 1.174 167 A CA 1.548 53.583 52.037 -0.003 0.000 0.750 167 A CB -1.162 17.835 19.000 -0.005 0.000 0.780 167 A HN 2.213 nan 8.150 nan 0.000 0.478 168 G N -2.819 105.980 108.800 -0.002 0.000 2.381 168 G HA2 0.172 4.132 3.960 -0.000 0.000 0.672 168 G HA3 0.172 4.132 3.960 -0.000 0.000 0.672 168 G C -0.504 174.396 174.900 0.000 0.000 1.324 168 G CA -0.424 44.675 45.100 -0.001 0.000 0.975 168 G HN 0.399 nan 8.290 nan 0.000 0.593 169 T N 0.309 114.864 114.554 0.001 0.000 2.780 169 T HA 0.484 4.834 4.350 -0.000 0.000 0.294 169 T C 0.449 175.151 174.700 0.003 0.000 0.949 169 T CA 0.322 62.425 62.100 0.004 0.000 1.074 169 T CB 1.388 70.260 68.868 0.006 0.000 0.910 169 T HN 1.595 nan 8.240 nan 0.000 0.501 170 V N 7.986 127.903 119.914 0.006 0.000 2.385 170 V HA 0.423 4.543 4.120 -0.000 0.000 0.269 170 V C -2.179 173.923 176.094 0.014 0.000 1.043 170 V CA -2.366 59.937 62.300 0.005 0.000 0.906 170 V CB 0.833 32.659 31.823 0.005 0.000 0.995 170 V HN 0.645 nan 8.190 nan 0.000 0.467 171 P HA 0.284 nan 4.420 nan 0.000 0.272 171 P C -2.794 174.525 177.300 0.032 0.000 1.223 171 P CA -1.326 61.785 63.100 0.018 0.000 0.784 171 P CB 0.433 32.141 31.700 0.013 0.000 0.923 172 P HA 0.184 nan 4.420 nan 0.000 0.277 172 P C -0.455 176.844 177.300 -0.002 0.000 1.240 172 P CA -0.236 62.881 63.100 0.029 0.000 0.798 172 P CB 0.711 32.425 31.700 0.022 0.000 0.979 173 A N 3.934 126.710 122.820 -0.073 0.000 2.332 173 A HA 0.382 4.702 4.320 -0.000 0.000 0.258 173 A C 0.299 177.746 177.584 -0.229 0.000 1.087 173 A CA -0.513 51.404 52.037 -0.199 0.000 0.802 173 A CB 0.190 18.791 19.000 -0.666 0.000 1.042 173 A HN 0.492 nan 8.150 nan 0.000 0.489 174 R N 0.751 121.116 120.500 -0.224 0.000 2.310 174 R HA 0.495 4.835 4.340 -0.000 0.000 0.324 174 R C -1.414 174.764 176.300 -0.204 0.000 0.955 174 R CA -0.501 55.504 56.100 -0.157 0.000 0.830 174 R CB 1.679 31.926 30.300 -0.087 0.000 1.154 174 R HN 0.466 nan 8.270 nan 0.000 0.458 175 V N 4.731 124.555 119.914 -0.150 0.000 2.532 175 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 175 V C -0.058 176.023 176.094 -0.022 0.000 1.041 175 V CA -0.787 61.449 62.300 -0.108 0.000 0.926 175 V CB 1.981 33.770 31.823 -0.056 0.000 0.992 175 V HN 0.604 nan 8.190 nan 0.000 0.457 176 L N 4.983 126.220 121.223 0.023 0.000 2.471 176 L HA 0.582 4.922 4.340 -0.000 0.000 0.263 176 L C -0.931 176.073 176.870 0.223 0.000 0.985 176 L CA -0.496 54.414 54.840 0.116 0.000 0.868 176 L CB 1.736 43.899 42.059 0.174 0.000 1.203 176 L HN 0.566 nan 8.230 nan 0.000 0.429 177 V N 5.194 125.229 119.914 0.202 0.000 2.370 177 V HA 0.479 4.599 4.120 -0.000 0.000 0.279 177 V C -0.728 175.571 176.094 0.341 0.000 1.029 177 V CA -0.131 62.315 62.300 0.243 0.000 0.870 177 V CB 1.351 33.258 31.823 0.142 0.000 0.984 177 V HN 0.526 nan 8.190 nan 0.000 0.451 178 F N 5.765 125.728 119.950 0.021 0.000 2.411 178 F HA 0.675 5.202 4.527 -0.000 0.000 0.355 178 F C 1.030 176.855 175.800 0.042 0.000 1.117 178 F CA 0.158 58.176 58.000 0.029 0.000 1.139 178 F CB 1.440 40.449 39.000 0.016 0.000 1.120 178 F HN 0.947 nan 8.300 nan 0.000 0.493 179 G N 2.533 111.450 108.800 0.195 0.000 3.405 179 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.676 179 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.676 179 G C -0.936 174.037 174.900 0.122 0.000 1.039 179 G CA -1.105 44.081 45.100 0.143 0.000 0.855 179 G HN 0.597 nan 8.290 nan 0.000 0.443 180 V N 4.035 124.014 119.914 0.108 0.000 2.056 180 V HA 0.538 4.657 4.120 -0.000 0.000 0.267 180 V C 1.637 177.762 176.094 0.051 0.000 1.535 180 V CA 0.588 62.938 62.300 0.083 0.000 1.475 180 V CB -0.089 31.781 31.823 0.078 0.000 1.441 180 V HN 1.145 nan 8.190 nan 0.000 0.500 181 G N 0.698 109.530 108.800 0.053 0.000 2.546 181 G HA2 0.242 4.202 3.960 -0.000 0.000 0.239 181 G HA3 0.242 4.202 3.960 -0.000 0.000 0.239 181 G C 1.088 176.008 174.900 0.033 0.000 1.476 181 G CA 0.291 45.413 45.100 0.036 0.000 1.064 181 G HN 0.258 nan 8.290 nan 0.000 0.561 182 V N -0.090 119.841 119.914 0.028 0.000 3.129 182 V HA 0.203 4.323 4.120 -0.000 0.000 0.259 182 V C 2.602 178.720 176.094 0.040 0.000 1.116 182 V CA 2.224 64.540 62.300 0.027 0.000 1.127 182 V CB -0.335 31.499 31.823 0.018 0.000 0.742 182 V HN 0.740 nan 8.190 nan 0.000 0.474 183 A N -0.038 122.810 122.820 0.046 0.000 1.911 183 A HA 0.210 4.530 4.320 -0.000 0.000 0.212 183 A C 2.297 179.920 177.584 0.065 0.000 1.189 183 A CA 1.172 53.243 52.037 0.057 0.000 0.639 183 A CB -1.137 17.895 19.000 0.053 0.000 0.839 183 A HN 0.574 nan 8.150 nan 0.000 0.449 184 G N -0.044 108.795 108.800 0.066 0.000 2.422 184 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 184 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 184 G C 1.531 176.476 174.900 0.074 0.000 1.146 184 G CA 0.998 46.145 45.100 0.078 0.000 0.769 184 G HN 0.393 nan 8.290 nan 0.000 0.547 185 L N -0.383 120.877 121.223 0.062 0.000 2.131 185 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 185 L C 2.966 179.874 176.870 0.064 0.000 1.092 185 L CA 1.189 56.062 54.840 0.056 0.000 0.759 185 L CB -0.137 41.945 42.059 0.039 0.000 0.903 185 L HN 0.253 nan 8.230 nan 0.000 0.435 186 Q N -0.140 119.703 119.800 0.072 0.000 2.096 186 Q HA -0.064 4.276 4.340 -0.000 0.000 0.197 186 Q C 2.159 178.221 176.000 0.103 0.000 0.964 186 Q CA 1.751 57.609 55.803 0.092 0.000 0.838 186 Q CB -0.184 28.617 28.738 0.106 0.000 0.906 186 Q HN 0.400 nan 8.270 nan 0.000 0.444 187 A N 0.208 123.082 122.820 0.089 0.000 1.972 187 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 187 A C 2.106 179.738 177.584 0.081 0.000 1.169 187 A CA 1.295 53.378 52.037 0.076 0.000 0.635 187 A CB -0.645 18.397 19.000 0.070 0.000 0.810 187 A HN 0.448 nan 8.150 nan 0.000 0.446 188 I N -0.527 120.092 120.570 0.082 0.000 2.133 188 I HA -0.249 3.921 4.170 -0.000 0.000 0.238 188 I C 3.052 179.217 176.117 0.080 0.000 1.074 188 I CA 1.069 62.418 61.300 0.080 0.000 1.342 188 I CB -0.529 37.516 38.000 0.075 0.000 1.053 188 I HN 0.358 nan 8.210 nan 0.000 0.404 189 A N 0.211 123.077 122.820 0.077 0.000 1.892 189 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 189 A C 2.379 180.016 177.584 0.088 0.000 1.188 189 A CA 2.712 54.794 52.037 0.075 0.000 0.631 189 A CB -1.220 17.822 19.000 0.070 0.000 0.822 189 A HN 0.404 nan 8.150 nan 0.000 0.447 190 T N -0.138 114.477 114.554 0.101 0.000 2.708 190 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 190 T C 2.184 176.931 174.700 0.079 0.000 1.037 190 T CA 1.684 63.845 62.100 0.101 0.000 1.146 190 T CB -0.418 68.510 68.868 0.099 0.000 0.865 190 T HN 0.617 nan 8.240 nan 0.000 0.435 191 A N 1.142 124.023 122.820 0.102 0.000 1.969 191 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 191 A C 2.230 179.919 177.584 0.175 0.000 1.169 191 A CA 1.235 53.380 52.037 0.180 0.000 0.635 191 A CB -0.324 18.791 19.000 0.192 0.000 0.810 191 A HN 0.158 nan 8.150 nan 0.000 0.445 192 K N 0.021 120.492 120.400 0.118 0.000 2.365 192 K HA 0.020 4.340 4.320 -0.000 0.000 0.199 192 K C 1.993 178.650 176.600 0.095 0.000 1.045 192 K CA 0.645 56.991 56.287 0.099 0.000 0.962 192 K CB -0.258 32.287 32.500 0.075 0.000 0.759 192 K HN 0.538 nan 8.250 nan 0.000 0.469 193 R N -0.273 120.282 120.500 0.093 0.000 2.073 193 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 193 R C 1.380 177.730 176.300 0.084 0.000 1.120 193 R CA 0.682 56.828 56.100 0.078 0.000 0.967 193 R CB -0.095 30.248 30.300 0.072 0.000 0.862 193 R HN -0.034 nan 8.270 nan 0.000 0.436 194 L N 0.470 121.757 121.223 0.107 0.000 2.693 194 L HA 0.144 4.484 4.340 -0.000 0.000 0.242 194 L C 1.049 178.043 176.870 0.207 0.000 1.157 194 L CA 0.987 55.909 54.840 0.137 0.000 0.929 194 L CB -0.543 41.576 42.059 0.100 0.000 1.103 194 L HN 0.448 nan 8.230 nan 0.000 0.430 195 G N -0.996 107.893 108.800 0.148 0.000 2.187 195 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.261 195 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.261 195 G C 0.662 175.635 174.900 0.121 0.000 1.000 195 G CA 0.370 45.542 45.100 0.121 0.000 0.718 195 G HN 0.720 nan 8.290 nan 0.000 0.519 196 A N -0.978 121.935 122.820 0.155 0.000 2.313 196 A HA 0.691 5.011 4.320 -0.000 0.000 0.261 196 A C 0.562 178.160 177.584 0.023 0.000 1.090 196 A CA 0.259 52.330 52.037 0.057 0.000 0.807 196 A CB 1.013 20.039 19.000 0.043 0.000 1.055 196 A HN 1.129 nan 8.150 nan 0.000 0.492 197 V N 2.492 122.392 119.914 -0.025 0.000 2.334 197 V HA 0.336 4.456 4.120 -0.000 0.000 0.267 197 V C 0.192 176.276 176.094 -0.017 0.000 1.040 197 V CA -0.435 61.859 62.300 -0.010 0.000 0.866 197 V CB 0.342 32.155 31.823 -0.017 0.000 1.019 197 V HN 0.709 nan 8.190 nan 0.000 0.468 198 V N 3.474 123.394 119.914 0.011 0.000 2.686 198 V HA 0.707 4.827 4.120 -0.000 0.000 0.295 198 V C -0.159 175.945 176.094 0.018 0.000 1.057 198 V CA -0.603 61.708 62.300 0.019 0.000 1.012 198 V CB 1.348 33.198 31.823 0.045 0.000 1.006 198 V HN 0.696 nan 8.190 nan 0.000 0.477 199 M N 3.788 123.398 119.600 0.016 0.000 2.151 199 M HA 0.776 5.256 4.480 -0.000 0.000 0.290 199 M C -0.358 175.947 176.300 0.010 0.000 0.965 199 M CA -0.447 54.852 55.300 -0.002 0.000 0.930 199 M CB 1.524 34.108 32.600 -0.028 0.000 1.560 199 M HN 1.100 nan 8.290 nan 0.000 0.438 200 A N 2.291 125.127 122.820 0.026 0.000 2.342 200 A HA 0.904 5.224 4.320 -0.000 0.000 0.323 200 A C -0.494 177.079 177.584 -0.018 0.000 1.125 200 A CA -0.555 51.526 52.037 0.074 0.000 0.785 200 A CB 1.318 20.429 19.000 0.185 0.000 1.221 200 A HN 0.653 nan 8.150 nan 0.000 0.463 201 T N 0.420 114.910 114.554 -0.106 0.000 2.916 201 T HA 0.685 5.035 4.350 -0.000 0.000 0.292 201 T C -1.271 173.488 174.700 0.099 0.000 1.055 201 T CA -0.265 61.646 62.100 -0.316 0.000 1.009 201 T CB 1.581 70.130 68.868 -0.532 0.000 1.118 201 T HN 0.843 nan 8.240 nan 0.000 0.497 202 D N -0.382 120.181 120.400 0.272 0.000 3.182 202 D HA 0.287 4.927 4.640 -0.000 0.000 0.352 202 D C 0.518 176.988 176.300 0.284 0.000 1.421 202 D CA 0.257 54.435 54.000 0.296 0.000 0.912 202 D CB 1.164 42.159 40.800 0.325 0.000 1.461 202 D HN 0.459 nan 8.370 nan 0.000 0.548 203 V N -1.365 118.638 119.914 0.148 0.000 3.054 203 V HA 0.465 4.585 4.120 -0.000 0.000 0.227 203 V C 0.762 176.893 176.094 0.061 0.000 1.252 203 V CA -0.112 62.229 62.300 0.068 0.000 1.279 203 V CB -0.505 31.242 31.823 -0.125 0.000 1.118 203 V HN 0.360 nan 8.190 nan 0.000 0.504 204 R N 1.929 122.435 120.500 0.009 0.000 2.936 204 R HA 0.178 4.518 4.340 -0.000 0.000 0.361 204 R C 1.686 177.950 176.300 -0.060 0.000 0.873 204 R CA 0.497 56.584 56.100 -0.022 0.000 1.041 204 R CB -0.030 30.252 30.300 -0.030 0.000 0.924 204 R HN 0.692 nan 8.270 nan 0.000 0.401 205 A N 3.900 126.694 122.820 -0.043 0.000 1.929 205 A HA -0.351 3.969 4.320 -0.000 0.000 0.221 205 A C 2.346 179.842 177.584 -0.146 0.000 1.211 205 A CA 2.237 54.227 52.037 -0.079 0.000 0.657 205 A CB -0.577 18.405 19.000 -0.030 0.000 0.827 205 A HN 0.831 nan 8.150 nan 0.000 0.462 206 A N -1.522 121.235 122.820 -0.106 0.000 1.986 206 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 206 A C 2.236 179.723 177.584 -0.162 0.000 1.171 206 A CA 2.505 54.478 52.037 -0.107 0.000 0.640 206 A CB -1.436 17.522 19.000 -0.070 0.000 0.811 206 A HN 0.515 nan 8.150 nan 0.000 0.451 207 T N -0.298 114.130 114.554 -0.210 0.000 2.565 207 T HA -0.282 4.068 4.350 -0.000 0.000 0.265 207 T C 1.901 176.352 174.700 -0.415 0.000 1.082 207 T CA 1.970 63.902 62.100 -0.280 0.000 1.173 207 T CB -0.302 68.380 68.868 -0.309 0.000 0.864 207 T HN 0.650 nan 8.240 nan 0.000 0.425 208 K N 0.541 120.486 120.400 -0.759 0.000 2.023 208 K HA -0.347 3.973 4.320 -0.000 0.000 0.227 208 K C 2.255 178.696 176.600 -0.265 0.000 1.054 208 K CA 2.439 58.311 56.287 -0.692 0.000 0.977 208 K CB -0.332 31.836 32.500 -0.554 0.000 0.733 208 K HN 0.297 nan 8.250 nan 0.000 0.451 209 E N 0.681 120.771 120.200 -0.184 0.000 2.113 209 E HA -0.300 4.050 4.350 -0.000 0.000 0.210 209 E C 1.926 178.483 176.600 -0.070 0.000 1.040 209 E CA 2.488 58.830 56.400 -0.095 0.000 0.847 209 E CB -0.318 29.336 29.700 -0.077 0.000 0.755 209 E HN 0.519 nan 8.360 nan 0.000 0.459 210 Q N -0.393 119.358 119.800 -0.082 0.000 2.002 210 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 210 Q C 2.448 178.434 176.000 -0.024 0.000 0.988 210 Q CA 1.909 57.684 55.803 -0.046 0.000 0.843 210 Q CB -0.338 28.372 28.738 -0.047 0.000 0.908 210 Q HN 0.237 nan 8.270 nan 0.000 0.420 211 V N 1.781 121.676 119.914 -0.032 0.000 2.324 211 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 211 V C 2.031 178.148 176.094 0.038 0.000 1.060 211 V CA 2.197 64.513 62.300 0.026 0.000 1.042 211 V CB -0.619 31.248 31.823 0.074 0.000 0.650 211 V HN 0.397 nan 8.190 nan 0.000 0.450 212 E N 0.623 120.834 120.200 0.020 0.000 2.046 212 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 212 E C 2.334 178.946 176.600 0.020 0.000 0.982 212 E CA 1.514 57.931 56.400 0.029 0.000 0.800 212 E CB -0.365 29.346 29.700 0.019 0.000 0.756 212 E HN 0.747 nan 8.360 nan 0.000 0.449 213 S N 1.269 116.973 115.700 0.008 0.000 2.442 213 S HA -0.112 4.358 4.470 -0.000 0.000 0.236 213 S C 2.062 176.672 174.600 0.017 0.000 1.007 213 S CA 0.619 58.824 58.200 0.008 0.000 0.965 213 S CB -0.364 62.836 63.200 -0.000 0.000 0.773 213 S HN 0.151 nan 8.310 nan 0.000 0.504 214 L N 0.747 121.983 121.223 0.022 0.000 2.072 214 L HA 0.171 4.511 4.340 -0.000 0.000 0.205 214 L C 2.010 178.902 176.870 0.035 0.000 1.079 214 L CA 1.172 56.031 54.840 0.031 0.000 0.752 214 L CB -0.443 41.639 42.059 0.038 0.000 0.906 214 L HN 0.676 nan 8.230 nan 0.000 0.436 215 G N -1.340 107.482 108.800 0.037 0.000 2.174 215 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.140 215 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.140 215 G C 0.165 175.090 174.900 0.042 0.000 1.031 215 G CA -0.377 44.746 45.100 0.037 0.000 0.728 215 G HN 0.524 nan 8.290 nan 0.000 0.496 216 G N -0.399 108.431 108.800 0.050 0.000 2.552 216 G HA2 0.657 4.617 3.960 -0.000 0.000 0.324 216 G HA3 0.657 4.617 3.960 -0.000 0.000 0.324 216 G C -0.620 174.320 174.900 0.068 0.000 1.217 216 G CA -0.804 44.330 45.100 0.057 0.000 0.989 216 G HN 0.221 nan 8.290 nan 0.000 0.490 217 K N 0.201 120.641 120.400 0.066 0.000 2.307 217 K HA 0.271 4.591 4.320 -0.000 0.000 0.263 217 K C -1.540 175.123 176.600 0.105 0.000 0.973 217 K CA -0.545 55.787 56.287 0.075 0.000 0.846 217 K CB 2.377 34.897 32.500 0.033 0.000 1.100 217 K HN 0.343 nan 8.250 nan 0.000 0.438 218 F N 4.201 124.141 119.950 -0.016 0.000 2.438 218 F HA 0.262 4.789 4.527 -0.000 0.000 0.356 218 F C 0.113 175.893 175.800 -0.033 0.000 1.099 218 F CA -0.745 57.240 58.000 -0.024 0.000 1.185 218 F CB 0.387 39.378 39.000 -0.015 0.000 1.115 218 F HN 0.396 nan 8.300 nan 0.000 0.526 219 I N 6.987 127.098 120.570 -0.765 0.000 2.329 219 I HA 0.069 4.239 4.170 -0.000 0.000 0.295 219 I C 0.385 175.957 176.117 -0.908 0.000 1.109 219 I CA -0.313 60.612 61.300 -0.626 0.000 1.297 219 I CB -0.049 37.662 38.000 -0.482 0.000 1.433 219 I HN 0.613 nan 8.210 nan 0.000 0.509 220 T N 3.653 117.925 114.554 -0.470 0.000 2.802 220 T HA 0.422 4.772 4.350 -0.000 0.000 0.305 220 T C 0.666 175.284 174.700 -0.137 0.000 1.053 220 T CA -0.661 61.322 62.100 -0.195 0.000 1.058 220 T CB 2.084 70.977 68.868 0.041 0.000 0.988 220 T HN 0.297 nan 8.240 nan 0.000 0.539 221 V N -0.147 119.769 119.914 0.004 0.000 6.590 221 V HA 0.368 4.488 4.120 -0.000 0.000 0.138 221 V C -0.133 175.959 176.094 -0.003 0.000 1.352 221 V CA -0.183 62.095 62.300 -0.038 0.000 1.047 221 V CB 0.527 32.366 31.823 0.026 0.000 2.186 221 V HN 1.133 nan 8.190 nan 0.000 0.323 241 E N -0.239 120.016 120.200 0.092 0.000 2.465 241 E HA 0.127 4.477 4.350 -0.000 0.000 0.209 241 E C 1.832 178.490 176.600 0.097 0.000 0.951 241 E CA 1.389 57.842 56.400 0.089 0.000 0.997 241 E CB 0.235 29.967 29.700 0.055 0.000 1.025 241 E HN 0.514 nan 8.360 nan 0.000 0.500 242 E N -0.731 119.530 120.200 0.102 0.000 2.347 242 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 242 E C 1.430 178.074 176.600 0.073 0.000 1.008 242 E CA 0.829 57.270 56.400 0.068 0.000 0.852 242 E CB -0.466 29.269 29.700 0.058 0.000 0.783 242 E HN 0.295 nan 8.360 nan 0.000 0.505 243 F N 1.451 121.404 119.950 0.005 0.000 2.188 243 F HA 0.240 4.767 4.527 -0.000 0.000 0.289 243 F C 2.034 177.837 175.800 0.005 0.000 1.082 243 F CA 0.462 58.464 58.000 0.004 0.000 1.282 243 F CB 0.073 39.078 39.000 0.008 0.000 1.060 243 F HN -0.124 nan 8.300 nan 0.000 0.493 244 R N 0.593 121.272 120.500 0.297 0.000 2.500 244 R HA -0.090 4.250 4.340 -0.000 0.000 0.212 244 R C 1.096 177.455 176.300 0.098 0.000 1.330 244 R CA 0.875 57.088 56.100 0.188 0.000 1.262 244 R CB -0.372 30.007 30.300 0.132 0.000 0.998 244 R HN 0.335 nan 8.270 nan 0.000 0.484 245 K N -1.400 119.032 120.400 0.053 0.000 2.648 245 K HA 0.033 4.352 4.320 -0.000 0.000 0.194 245 K C 0.986 177.554 176.600 -0.053 0.000 1.721 245 K CA -0.131 56.159 56.287 0.005 0.000 1.183 245 K CB 0.393 32.899 32.500 0.010 0.000 1.618 245 K HN -0.012 nan 8.250 nan 0.000 0.595 246 K N 1.169 121.497 120.400 -0.121 0.000 2.387 246 K HA 0.084 4.404 4.320 -0.000 0.000 0.198 246 K C 1.488 177.896 176.600 -0.319 0.000 1.022 246 K CA 0.138 56.299 56.287 -0.209 0.000 1.128 246 K CB 0.534 32.885 32.500 -0.248 0.000 0.853 246 K HN 0.195 nan 8.250 nan 0.000 0.523 247 Q N -0.468 119.182 119.800 -0.250 0.000 2.389 247 Q HA 0.117 4.457 4.340 -0.000 0.000 0.198 247 Q C 1.497 177.442 176.000 -0.091 0.000 0.967 247 Q CA 0.663 56.345 55.803 -0.202 0.000 0.863 247 Q CB -0.205 28.560 28.738 0.046 0.000 0.987 247 Q HN 0.193 nan 8.270 nan 0.000 0.557 248 A N 1.006 123.815 122.820 -0.018 0.000 2.309 248 A HA -0.160 4.160 4.320 -0.000 0.000 0.210 248 A C 1.450 179.021 177.584 -0.022 0.000 1.216 248 A CA 1.222 53.264 52.037 0.008 0.000 0.731 248 A CB -0.335 18.690 19.000 0.042 0.000 0.762 248 A HN 0.466 nan 8.150 nan 0.000 0.497 249 E N -0.725 119.440 120.200 -0.058 0.000 2.110 249 E HA 0.126 4.476 4.350 -0.000 0.000 0.193 249 E C 2.300 178.858 176.600 -0.069 0.000 0.950 249 E CA 1.069 57.435 56.400 -0.058 0.000 0.840 249 E CB -0.774 28.885 29.700 -0.068 0.000 0.809 249 E HN 0.487 nan 8.360 nan 0.000 0.465 250 A N 1.161 123.921 122.820 -0.099 0.000 2.121 250 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 250 A C 2.350 179.865 177.584 -0.115 0.000 1.154 250 A CA 0.904 52.875 52.037 -0.110 0.000 0.679 250 A CB -0.269 18.646 19.000 -0.141 0.000 0.795 250 A HN 0.091 nan 8.150 nan 0.000 0.458 251 V N -0.477 119.372 119.914 -0.109 0.000 2.599 251 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 251 V C 2.327 178.401 176.094 -0.033 0.000 1.046 251 V CA 0.940 63.178 62.300 -0.104 0.000 1.065 251 V CB -0.380 31.376 31.823 -0.112 0.000 0.703 251 V HN 0.530 nan 8.190 nan 0.000 0.464 252 L N 0.617 121.830 121.223 -0.017 0.000 2.127 252 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 252 L C 2.420 179.285 176.870 -0.010 0.000 1.089 252 L CA 1.980 56.821 54.840 0.001 0.000 0.757 252 L CB -1.013 41.045 42.059 -0.002 0.000 0.899 252 L HN 0.385 nan 8.230 nan 0.000 0.434 253 K N -0.598 119.785 120.400 -0.028 0.000 2.144 253 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 253 K C 1.755 178.341 176.600 -0.024 0.000 1.047 253 K CA 1.659 57.928 56.287 -0.030 0.000 0.927 253 K CB 0.067 32.540 32.500 -0.045 0.000 0.716 253 K HN 0.424 nan 8.250 nan 0.000 0.454 254 E N 0.147 120.331 120.200 -0.026 0.000 2.201 254 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 254 E C 1.972 178.576 176.600 0.006 0.000 0.957 254 E CA 0.034 56.424 56.400 -0.017 0.000 0.858 254 E CB -0.128 29.552 29.700 -0.032 0.000 0.816 254 E HN 0.121 nan 8.360 nan 0.000 0.475 255 L N 2.005 123.245 121.223 0.029 0.000 2.197 255 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 255 L C 2.392 179.274 176.870 0.019 0.000 1.095 255 L CA 1.583 56.452 54.840 0.047 0.000 0.764 255 L CB -0.834 41.266 42.059 0.069 0.000 0.897 255 L HN 0.028 nan 8.230 nan 0.000 0.436 256 V N -3.758 116.162 119.914 0.011 0.000 2.951 256 V HA -0.099 4.021 4.120 -0.000 0.000 0.255 256 V C 1.838 177.934 176.094 0.004 0.000 1.088 256 V CA 0.929 63.233 62.300 0.007 0.000 1.109 256 V CB -0.601 31.225 31.823 0.005 0.000 0.724 256 V HN 0.371 nan 8.190 nan 0.000 0.471 257 K N 1.628 122.027 120.400 -0.002 0.000 2.358 257 K HA 0.221 4.541 4.320 -0.000 0.000 0.200 257 K C 0.527 177.118 176.600 -0.016 0.000 1.030 257 K CA 0.488 56.772 56.287 -0.006 0.000 1.097 257 K CB 0.670 33.164 32.500 -0.009 0.000 0.862 257 K HN 0.659 nan 8.250 nan 0.000 0.534 258 T N -1.337 113.204 114.554 -0.022 0.000 2.795 258 T HA 0.238 4.588 4.350 -0.000 0.000 0.282 258 T C 0.254 174.905 174.700 -0.082 0.000 0.980 258 T CA -0.820 61.248 62.100 -0.054 0.000 1.012 258 T CB 1.737 70.585 68.868 -0.034 0.000 0.936 258 T HN -0.108 nan 8.240 nan 0.000 0.457 259 D N 1.796 122.099 120.400 -0.162 0.000 2.305 259 D HA 0.191 4.831 4.640 -0.000 0.000 0.206 259 D C 0.491 176.550 176.300 -0.401 0.000 0.974 259 D CA 0.623 54.475 54.000 -0.246 0.000 0.871 259 D CB 0.599 41.219 40.800 -0.300 0.000 0.947 259 D HN 0.573 nan 8.370 nan 0.000 0.516 260 I N 0.636 120.992 120.570 -0.356 0.000 2.569 260 I HA 0.414 4.584 4.170 -0.000 0.000 0.290 260 I C -0.969 175.065 176.117 -0.139 0.000 1.088 260 I CA -0.941 60.191 61.300 -0.281 0.000 1.047 260 I CB 2.403 40.201 38.000 -0.336 0.000 1.237 260 I HN -0.252 nan 8.210 nan 0.000 0.421 261 A N 7.542 130.297 122.820 -0.109 0.000 2.318 261 A HA 0.818 5.138 4.320 -0.000 0.000 0.317 261 A C -0.713 176.812 177.584 -0.098 0.000 1.159 261 A CA -0.405 51.581 52.037 -0.086 0.000 0.799 261 A CB 0.718 19.623 19.000 -0.159 0.000 1.194 261 A HN 0.684 nan 8.150 nan 0.000 0.479 262 I N 3.453 124.003 120.570 -0.033 0.000 2.428 262 I HA 0.205 4.375 4.170 -0.000 0.000 0.279 262 I C 0.380 176.487 176.117 -0.018 0.000 1.040 262 I CA -0.309 60.979 61.300 -0.020 0.000 1.171 262 I CB 1.548 39.569 38.000 0.035 0.000 1.312 262 I HN 0.707 nan 8.210 nan 0.000 0.470 263 T N 0.462 114.944 114.554 -0.120 0.000 2.749 263 T HA 0.253 4.603 4.350 -0.000 0.000 0.295 263 T C 0.887 175.580 174.700 -0.010 0.000 0.936 263 T CA -0.399 61.633 62.100 -0.113 0.000 1.060 263 T CB 1.013 69.743 68.868 -0.231 0.000 0.904 263 T HN 0.702 nan 8.240 nan 0.000 0.500 264 T N -0.780 113.806 114.554 0.055 0.000 3.058 264 T HA 0.503 4.853 4.350 -0.000 0.000 0.278 264 T C 0.949 175.682 174.700 0.055 0.000 0.974 264 T CA -0.010 62.121 62.100 0.052 0.000 0.893 264 T CB -0.029 68.879 68.868 0.067 0.000 1.138 264 T HN 0.958 nan 8.240 nan 0.000 0.529 265 A N 1.985 124.848 122.820 0.073 0.000 2.546 265 A HA 0.581 4.901 4.320 -0.000 0.000 0.243 265 A C -0.141 177.464 177.584 0.035 0.000 1.063 265 A CA 0.177 52.252 52.037 0.063 0.000 0.757 265 A CB -0.251 18.801 19.000 0.087 0.000 0.991 265 A HN 0.652 nan 8.150 nan 0.000 0.503 266 L N 2.594 123.833 121.223 0.027 0.000 2.482 266 L HA 0.545 4.885 4.340 -0.000 0.000 0.263 266 L C -1.306 175.570 176.870 0.011 0.000 0.957 266 L CA -0.694 54.157 54.840 0.019 0.000 0.836 266 L CB 2.126 44.198 42.059 0.021 0.000 1.324 266 L HN 0.701 nan 8.230 nan 0.000 0.406 267 I N 4.347 124.921 120.570 0.007 0.000 2.499 267 I HA 0.517 4.687 4.170 -0.000 0.000 0.288 267 I C -2.349 173.771 176.117 0.004 0.000 1.048 267 I CA -2.159 59.141 61.300 0.001 0.000 1.062 267 I CB 2.481 40.477 38.000 -0.008 0.000 1.238 267 I HN 0.277 nan 8.210 nan 0.000 0.426 268 P HA 0.271 nan 4.420 nan 0.000 0.261 268 P C 0.694 177.998 177.300 0.008 0.000 1.173 268 P CA 1.178 64.283 63.100 0.008 0.000 0.760 268 P CB 0.419 32.123 31.700 0.006 0.000 0.783 269 G N 2.557 111.364 108.800 0.011 0.000 3.329 269 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 269 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 269 G C -0.048 174.858 174.900 0.009 0.000 1.358 269 G CA 0.162 45.268 45.100 0.011 0.000 0.856 269 G HN 0.562 nan 8.290 nan 0.000 0.551 270 K N 3.144 123.548 120.400 0.007 0.000 2.185 270 K HA 0.560 4.880 4.320 -0.000 0.000 0.271 270 K C -1.615 174.989 176.600 0.007 0.000 1.013 270 K CA -1.320 54.970 56.287 0.006 0.000 0.943 270 K CB 0.921 33.423 32.500 0.004 0.000 0.998 270 K HN 0.388 nan 8.250 nan 0.000 0.468 271 P HA 0.089 nan 4.420 nan 0.000 0.275 271 P C -0.903 176.400 177.300 0.005 0.000 1.266 271 P CA -0.609 62.495 63.100 0.006 0.000 0.793 271 P CB 0.446 32.149 31.700 0.005 0.000 1.074 272 A N 1.925 124.747 122.820 0.004 0.000 2.592 272 A HA 0.038 4.358 4.320 -0.000 0.000 0.250 272 A C -1.543 176.044 177.584 0.004 0.000 1.017 272 A CA -0.431 51.607 52.037 0.002 0.000 0.794 272 A CB -1.566 17.431 19.000 -0.005 0.000 0.917 272 A HN 0.387 nan 8.150 nan 0.000 0.515 273 P HA 0.167 nan 4.420 nan 0.000 0.252 273 P C -0.145 177.170 177.300 0.025 0.000 1.727 273 P CA -0.197 62.912 63.100 0.016 0.000 1.134 273 P CB -0.127 31.582 31.700 0.015 0.000 1.876 274 V N 4.634 124.558 119.914 0.015 0.000 2.938 274 V HA -0.193 3.926 4.120 -0.000 0.000 0.284 274 V C 1.995 178.111 176.094 0.037 0.000 1.027 274 V CA 0.919 63.225 62.300 0.011 0.000 1.208 274 V CB -1.219 30.609 31.823 0.008 0.000 0.806 274 V HN 0.482 nan 8.190 nan 0.000 0.445 275 L N 4.745 125.983 121.223 0.025 0.000 2.416 275 L HA 0.355 4.695 4.340 -0.000 0.000 0.216 275 L C 0.673 177.581 176.870 0.063 0.000 1.098 275 L CA 0.788 55.684 54.840 0.094 0.000 0.840 275 L CB 0.244 42.359 42.059 0.094 0.000 0.981 275 L HN 0.513 nan 8.230 nan 0.000 0.462 276 I N -0.432 120.109 120.570 -0.049 0.000 2.529 276 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 276 I C -0.445 175.642 176.117 -0.050 0.000 1.088 276 I CA -0.313 60.956 61.300 -0.053 0.000 1.062 276 I CB 2.054 39.959 38.000 -0.159 0.000 1.218 276 I HN -0.136 nan 8.210 nan 0.000 0.442 277 T N 3.951 118.494 114.554 -0.019 0.000 2.919 277 T HA 0.014 4.364 4.350 -0.000 0.000 0.302 277 T C 1.266 175.931 174.700 -0.057 0.000 1.031 277 T CA -0.220 61.864 62.100 -0.028 0.000 1.127 277 T CB 1.467 70.332 68.868 -0.005 0.000 0.952 277 T HN 0.656 nan 8.240 nan 0.000 0.540 278 E N 1.238 121.392 120.200 -0.078 0.000 2.233 278 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 278 E C 1.785 178.321 176.600 -0.106 0.000 1.004 278 E CA 0.997 57.313 56.400 -0.139 0.000 0.819 278 E CB 0.122 29.742 29.700 -0.134 0.000 0.738 278 E HN 0.542 nan 8.360 nan 0.000 0.478 279 E N -0.077 120.098 120.200 -0.042 0.000 2.118 279 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 279 E C 1.973 178.568 176.600 -0.009 0.000 0.992 279 E CA 1.348 57.742 56.400 -0.009 0.000 0.804 279 E CB -0.091 29.611 29.700 0.002 0.000 0.741 279 E HN 0.473 nan 8.360 nan 0.000 0.458 280 M N -0.395 119.193 119.600 -0.020 0.000 2.334 280 M HA -0.053 4.427 4.480 -0.000 0.000 0.266 280 M C 1.997 178.281 176.300 -0.028 0.000 1.082 280 M CA 0.461 55.755 55.300 -0.010 0.000 1.141 280 M CB 0.154 32.756 32.600 0.003 0.000 1.380 280 M HN -0.161 nan 8.290 nan 0.000 0.440 281 V N 0.971 120.840 119.914 -0.076 0.000 3.488 281 V HA -0.117 4.003 4.120 -0.000 0.000 0.273 281 V C 2.084 178.137 176.094 -0.068 0.000 1.209 281 V CA 1.806 64.040 62.300 -0.111 0.000 1.179 281 V CB -1.954 29.741 31.823 -0.213 0.000 0.842 281 V HN 0.663 nan 8.190 nan 0.000 0.515 282 T N -4.411 110.144 114.554 0.001 0.000 2.955 282 T HA 0.100 4.450 4.350 -0.000 0.000 0.251 282 T C 1.413 176.148 174.700 0.058 0.000 1.002 282 T CA -0.293 61.866 62.100 0.099 0.000 0.970 282 T CB 0.108 69.060 68.868 0.140 0.000 1.091 282 T HN 0.270 nan 8.240 nan 0.000 0.495 283 K N 2.238 122.656 120.400 0.029 0.000 2.458 283 K HA 0.335 4.655 4.320 -0.000 0.000 0.194 283 K C 0.966 177.578 176.600 0.019 0.000 1.024 283 K CA 0.076 56.376 56.287 0.022 0.000 1.108 283 K CB -0.291 32.218 32.500 0.016 0.000 0.846 283 K HN 0.701 nan 8.250 nan 0.000 0.518 284 M N -1.148 118.464 119.600 0.020 0.000 2.777 284 M HA 0.415 4.895 4.480 -0.000 0.000 0.307 284 M C -0.696 175.620 176.300 0.026 0.000 1.228 284 M CA -0.925 54.386 55.300 0.017 0.000 0.871 284 M CB 1.264 33.867 32.600 0.006 0.000 1.721 284 M HN -0.307 nan 8.290 nan 0.000 0.487 285 K N 2.144 122.560 120.400 0.027 0.000 2.453 285 K HA 0.185 4.505 4.320 -0.000 0.000 0.280 285 K C -2.351 174.278 176.600 0.049 0.000 1.045 285 K CA -1.074 55.236 56.287 0.038 0.000 1.059 285 K CB -0.418 32.111 32.500 0.048 0.000 0.901 285 K HN 0.383 nan 8.250 nan 0.000 0.475 286 P HA -0.012 nan 4.420 nan 0.000 0.271 286 P C 0.493 177.831 177.300 0.063 0.000 1.220 286 P CA 0.318 63.447 63.100 0.050 0.000 0.768 286 P CB 1.096 32.818 31.700 0.037 0.000 0.848 287 G N 1.676 110.523 108.800 0.078 0.000 2.192 287 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 287 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 287 G C 0.370 175.387 174.900 0.195 0.000 0.999 287 G CA -0.210 44.956 45.100 0.110 0.000 0.659 287 G HN 0.567 nan 8.290 nan 0.000 0.503 288 S N -1.034 114.746 115.700 0.132 0.000 2.608 288 S HA 0.675 5.144 4.470 -0.000 0.000 0.261 288 S C 0.019 174.642 174.600 0.038 0.000 1.314 288 S CA 0.349 58.597 58.200 0.081 0.000 0.992 288 S CB 2.132 65.342 63.200 0.016 0.000 0.935 288 S HN 1.152 nan 8.310 nan 0.000 0.564 289 V N 1.624 121.508 119.914 -0.051 0.000 2.888 289 V HA 0.578 4.698 4.120 -0.000 0.000 0.309 289 V C -1.633 174.413 176.094 -0.081 0.000 1.114 289 V CA -0.652 61.624 62.300 -0.040 0.000 0.940 289 V CB 1.709 33.531 31.823 -0.002 0.000 1.021 289 V HN 0.769 nan 8.190 nan 0.000 0.426 290 I N 6.416 126.943 120.570 -0.072 0.000 2.447 290 I HA 0.456 4.626 4.170 -0.000 0.000 0.287 290 I C -1.152 174.912 176.117 -0.088 0.000 1.023 290 I CA -0.570 60.670 61.300 -0.100 0.000 1.083 290 I CB 1.929 39.855 38.000 -0.124 0.000 1.245 290 I HN 0.381 nan 8.210 nan 0.000 0.434 291 I N 5.313 125.836 120.570 -0.079 0.000 2.310 291 I HA 0.152 4.322 4.170 -0.000 0.000 0.287 291 I C -0.017 176.059 176.117 -0.069 0.000 1.073 291 I CA -0.161 61.105 61.300 -0.057 0.000 1.216 291 I CB 0.495 38.486 38.000 -0.015 0.000 1.415 291 I HN 0.383 nan 8.210 nan 0.000 0.480 292 D N 5.959 126.310 120.400 -0.081 0.000 2.422 292 D HA 0.174 4.814 4.640 -0.000 0.000 0.227 292 D C 1.100 177.376 176.300 -0.040 0.000 1.190 292 D CA 0.126 54.079 54.000 -0.078 0.000 0.905 292 D CB 0.662 41.409 40.800 -0.089 0.000 1.034 292 D HN 0.419 nan 8.370 nan 0.000 0.507 293 L N 2.463 123.673 121.223 -0.021 0.000 2.291 293 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 293 L C 2.062 178.933 176.870 0.002 0.000 1.120 293 L CA 0.702 55.545 54.840 0.004 0.000 0.799 293 L CB -0.090 41.979 42.059 0.018 0.000 0.925 293 L HN 0.413 nan 8.230 nan 0.000 0.446 294 A N -0.669 122.146 122.820 -0.009 0.000 2.238 294 A HA -0.035 4.285 4.320 -0.000 0.000 0.208 294 A C 2.224 179.801 177.584 -0.011 0.000 1.177 294 A CA 0.573 52.606 52.037 -0.005 0.000 0.804 294 A CB -0.476 18.520 19.000 -0.005 0.000 0.823 294 A HN 0.190 nan 8.150 nan 0.000 0.482 295 V N 0.323 120.226 119.914 -0.019 0.000 2.418 295 V HA -0.387 3.733 4.120 -0.000 0.000 0.258 295 V C 1.984 178.070 176.094 -0.013 0.000 1.088 295 V CA 3.013 65.300 62.300 -0.022 0.000 1.091 295 V CB -0.473 31.334 31.823 -0.026 0.000 0.669 295 V HN 0.761 nan 8.190 nan 0.000 0.461 296 E N 0.006 120.202 120.200 -0.006 0.000 2.152 296 E HA 0.064 4.414 4.350 -0.000 0.000 0.192 296 E C 1.938 178.536 176.600 -0.003 0.000 0.983 296 E CA 1.027 57.424 56.400 -0.005 0.000 0.818 296 E CB -0.328 29.369 29.700 -0.006 0.000 0.758 296 E HN 0.721 nan 8.360 nan 0.000 0.467 297 A N -0.220 122.600 122.820 -0.001 0.000 2.327 297 A HA 0.380 4.700 4.320 -0.000 0.000 0.228 297 A C 1.443 179.026 177.584 -0.002 0.000 1.275 297 A CA 0.713 52.751 52.037 0.002 0.000 0.875 297 A CB -0.363 18.641 19.000 0.007 0.000 0.925 297 A HN 0.324 nan 8.150 nan 0.000 0.493 298 G N -2.138 106.657 108.800 -0.007 0.000 2.238 298 G HA2 0.272 4.232 3.960 -0.000 0.000 0.217 298 G HA3 0.272 4.232 3.960 -0.000 0.000 0.217 298 G C 1.266 176.155 174.900 -0.018 0.000 0.996 298 G CA 0.326 45.420 45.100 -0.010 0.000 0.632 298 G HN 2.417 nan 8.290 nan 0.000 0.503 299 G N -0.470 108.318 108.800 -0.021 0.000 2.767 299 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.686 299 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.686 299 G C 0.084 174.961 174.900 -0.038 0.000 1.213 299 G CA 0.338 45.417 45.100 -0.034 0.000 0.803 299 G HN 1.062 nan 8.290 nan 0.000 0.603 300 N N -0.554 118.114 118.700 -0.053 0.000 2.485 300 N HA 0.238 4.978 4.740 -0.000 0.000 0.199 300 N C 0.230 175.687 175.510 -0.090 0.000 1.236 300 N CA 0.702 53.715 53.050 -0.060 0.000 0.852 300 N CB 0.260 38.697 38.487 -0.082 0.000 1.018 300 N HN 0.762 nan 8.380 nan 0.000 0.457 301 C N 0.748 119.999 119.300 -0.082 0.000 2.833 301 C HA 0.239 4.699 4.460 -0.000 0.000 0.383 301 C C -1.683 173.265 174.990 -0.069 0.000 1.058 301 C CA -1.573 57.391 59.018 -0.090 0.000 1.259 301 C CB 1.271 28.936 27.740 -0.124 0.000 1.726 301 C HN 0.183 nan 8.230 nan 0.000 0.484 302 P HA -0.152 nan 4.420 nan 0.000 0.218 302 P C 1.506 178.777 177.300 -0.049 0.000 1.146 302 P CA 1.420 64.494 63.100 -0.044 0.000 0.813 302 P CB 0.283 31.961 31.700 -0.036 0.000 0.778 303 L N 0.079 121.260 121.223 -0.069 0.000 2.156 303 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 303 L C 1.428 178.263 176.870 -0.059 0.000 1.095 303 L CA 0.523 55.322 54.840 -0.069 0.000 0.770 303 L CB -0.533 41.461 42.059 -0.107 0.000 0.914 303 L HN 0.052 nan 8.230 nan 0.000 0.439 304 S N 0.403 116.063 115.700 -0.067 0.000 2.537 304 S HA 0.050 4.520 4.470 -0.000 0.000 0.286 304 S C -0.149 174.421 174.600 -0.050 0.000 1.299 304 S CA -0.380 57.781 58.200 -0.066 0.000 1.067 304 S CB 0.579 63.734 63.200 -0.076 0.000 0.864 304 S HN 0.201 nan 8.310 nan 0.000 0.494 305 E N 3.892 124.063 120.200 -0.048 0.000 2.155 305 E HA 0.331 4.681 4.350 -0.000 0.000 0.264 305 E C -2.473 174.107 176.600 -0.034 0.000 0.886 305 E CA -2.638 53.742 56.400 -0.034 0.000 0.752 305 E CB 1.426 31.111 29.700 -0.025 0.000 1.133 305 E HN 0.568 nan 8.360 nan 0.000 0.414 306 P HA -0.088 nan 4.420 nan 0.000 0.258 306 P C 0.512 177.810 177.300 -0.004 0.000 1.187 306 P CA 0.923 64.016 63.100 -0.013 0.000 0.767 306 P CB 0.913 32.608 31.700 -0.008 0.000 0.770 307 G N 2.897 111.701 108.800 0.008 0.000 3.465 307 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.196 307 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.196 307 G C -0.111 174.812 174.900 0.037 0.000 1.170 307 G CA 0.006 45.121 45.100 0.026 0.000 0.887 307 G HN 0.758 nan 8.290 nan 0.000 0.444 308 K N 0.138 120.529 120.400 -0.015 0.000 2.373 308 K HA 0.652 4.972 4.320 -0.000 0.000 0.274 308 K C -1.073 175.458 176.600 -0.114 0.000 1.024 308 K CA -0.958 55.306 56.287 -0.037 0.000 0.867 308 K CB 0.704 33.206 32.500 0.005 0.000 1.524 308 K HN 0.444 nan 8.250 nan 0.000 0.406 309 I N 1.770 122.286 120.570 -0.090 0.000 2.301 309 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 309 I C 0.105 176.200 176.117 -0.036 0.000 1.046 309 I CA -1.124 60.125 61.300 -0.085 0.000 1.282 309 I CB 1.401 39.378 38.000 -0.039 0.000 1.409 309 I HN 0.223 nan 8.210 nan 0.000 0.484 310 V N 8.270 128.161 119.914 -0.039 0.000 2.472 310 V HA 0.488 4.608 4.120 -0.000 0.000 0.290 310 V C -0.138 175.955 176.094 -0.002 0.000 1.037 310 V CA -0.358 61.933 62.300 -0.015 0.000 0.908 310 V CB 1.987 33.799 31.823 -0.018 0.000 0.985 310 V HN 0.468 nan 8.190 nan 0.000 0.454 311 V N 6.462 126.386 119.914 0.017 0.000 2.378 311 V HA 0.731 4.851 4.120 -0.000 0.000 0.288 311 V C -0.376 175.753 176.094 0.059 0.000 1.016 311 V CA -0.818 61.502 62.300 0.032 0.000 0.840 311 V CB 1.192 33.033 31.823 0.030 0.000 0.994 311 V HN 0.839 nan 8.190 nan 0.000 0.431 312 K N 1.996 122.456 120.400 0.101 0.000 2.527 312 K HA 0.512 4.832 4.320 -0.000 0.000 0.260 312 K C -0.259 176.546 176.600 0.342 0.000 0.937 312 K CA -1.012 55.410 56.287 0.225 0.000 0.826 312 K CB 1.549 34.247 32.500 0.329 0.000 1.359 312 K HN 0.749 nan 8.250 nan 0.000 0.434 313 H N 0.297 119.365 119.070 -0.004 0.000 2.861 313 H HA -0.215 4.341 4.556 -0.000 0.000 0.289 313 H C 1.056 176.385 175.328 0.001 0.000 1.176 313 H CA 1.734 57.781 56.048 -0.002 0.000 1.146 313 H CB -1.770 27.989 29.762 -0.005 0.000 1.330 313 H HN 1.160 nan 8.280 nan 0.000 0.379 314 G N -2.268 106.592 108.800 0.099 0.000 2.377 314 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.250 314 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.250 314 G C 0.473 175.411 174.900 0.063 0.000 1.039 314 G CA 0.389 45.527 45.100 0.065 0.000 0.625 314 G HN 0.659 nan 8.290 nan 0.000 0.526 315 V N 0.849 120.803 119.914 0.067 0.000 2.686 315 V HA 0.488 4.607 4.120 -0.000 0.000 0.295 315 V C 0.590 176.701 176.094 0.028 0.000 1.057 315 V CA -0.255 62.068 62.300 0.038 0.000 1.012 315 V CB 1.613 33.442 31.823 0.009 0.000 1.006 315 V HN 0.316 nan 8.190 nan 0.000 0.477 316 K N 4.167 124.580 120.400 0.022 0.000 2.263 316 K HA 0.505 4.825 4.320 -0.000 0.000 0.272 316 K C -0.973 175.615 176.600 -0.020 0.000 1.033 316 K CA -0.426 55.868 56.287 0.013 0.000 0.884 316 K CB 1.002 33.524 32.500 0.037 0.000 1.107 316 K HN 0.441 nan 8.250 nan 0.000 0.460 317 I N 4.507 125.054 120.570 -0.039 0.000 2.282 317 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 317 I C 0.066 176.127 176.117 -0.092 0.000 1.090 317 I CA -0.731 60.527 61.300 -0.070 0.000 1.231 317 I CB 0.459 38.414 38.000 -0.075 0.000 1.434 317 I HN 0.222 nan 8.210 nan 0.000 0.487 318 V N 5.254 125.100 119.914 -0.113 0.000 2.530 318 V HA 0.576 4.696 4.120 -0.000 0.000 0.282 318 V C 0.973 176.941 176.094 -0.209 0.000 1.048 318 V CA -0.250 61.928 62.300 -0.204 0.000 0.997 318 V CB 1.369 33.068 31.823 -0.207 0.000 0.987 318 V HN 0.938 nan 8.190 nan 0.000 0.477 319 G N 3.363 112.006 108.800 -0.263 0.000 4.332 319 G HA2 0.302 4.261 3.960 -0.000 0.000 0.321 319 G HA3 0.302 4.261 3.960 -0.000 0.000 0.321 319 G C -0.403 174.424 174.900 -0.122 0.000 1.439 319 G CA -0.458 44.551 45.100 -0.150 0.000 0.900 319 G HN 0.655 nan 8.290 nan 0.000 0.515 320 H N 1.457 120.514 119.070 -0.021 0.000 2.683 320 H HA 0.304 4.860 4.556 -0.000 0.000 0.339 320 H C 0.919 176.231 175.328 -0.026 0.000 1.081 320 H CA 0.257 56.291 56.048 -0.024 0.000 1.432 320 H CB 1.471 31.216 29.762 -0.028 0.000 1.462 320 H HN 0.472 nan 8.280 nan 0.000 0.557 321 T N 0.418 115.042 114.554 0.117 0.000 2.913 321 T HA 0.084 4.434 4.350 -0.000 0.000 0.287 321 T C 0.559 175.266 174.700 0.012 0.000 1.008 321 T CA -1.003 61.121 62.100 0.040 0.000 1.067 321 T CB 0.752 69.630 68.868 0.018 0.000 0.996 321 T HN 0.656 nan 8.240 nan 0.000 0.513 322 N N 1.413 120.104 118.700 -0.015 0.000 2.607 322 N HA -0.157 4.583 4.740 -0.000 0.000 0.285 322 N C 0.450 175.936 175.510 -0.041 0.000 1.151 322 N CA 0.776 53.801 53.050 -0.041 0.000 0.749 322 N CB -1.181 37.268 38.487 -0.063 0.000 0.923 322 N HN 0.560 nan 8.380 nan 0.000 0.552 323 V N 3.290 123.192 119.914 -0.020 0.000 2.488 323 V HA -0.034 4.086 4.120 -0.000 0.000 0.246 323 V C -0.639 175.440 176.094 -0.026 0.000 1.046 323 V CA 1.787 64.076 62.300 -0.020 0.000 1.053 323 V CB -0.691 31.142 31.823 0.017 0.000 0.679 323 V HN 0.465 nan 8.190 nan 0.000 0.458 324 P HA -0.148 nan 4.420 nan 0.000 0.219 324 P C 2.001 179.274 177.300 -0.044 0.000 1.146 324 P CA 1.658 64.748 63.100 -0.016 0.000 0.808 324 P CB -0.044 31.653 31.700 -0.005 0.000 0.779 325 S N -0.830 114.828 115.700 -0.069 0.000 2.442 325 S HA -0.119 4.351 4.470 -0.000 0.000 0.236 325 S C 1.605 176.158 174.600 -0.078 0.000 1.007 325 S CA 0.893 59.043 58.200 -0.085 0.000 0.965 325 S CB -0.591 62.552 63.200 -0.094 0.000 0.773 325 S HN 0.101 nan 8.310 nan 0.000 0.504 326 R N 0.037 120.490 120.500 -0.078 0.000 2.323 326 R HA 0.124 4.464 4.340 -0.000 0.000 0.198 326 R C 0.133 176.406 176.300 -0.045 0.000 0.988 326 R CA 0.383 56.430 56.100 -0.088 0.000 1.041 326 R CB 0.275 30.503 30.300 -0.121 0.000 0.926 326 R HN 0.272 nan 8.270 nan 0.000 0.476 327 V N -0.851 119.045 119.914 -0.029 0.000 3.047 327 V HA 0.202 4.322 4.120 -0.000 0.000 0.374 327 V C 1.178 177.252 176.094 -0.032 0.000 1.399 327 V CA 0.067 62.360 62.300 -0.011 0.000 1.251 327 V CB 0.737 32.570 31.823 0.017 0.000 1.228 327 V HN 0.191 nan 8.190 nan 0.000 0.589 328 A N 1.276 124.069 122.820 -0.046 0.000 1.971 328 A HA -0.220 4.100 4.320 -0.000 0.000 0.222 328 A C 2.315 179.871 177.584 -0.046 0.000 1.182 328 A CA 2.658 54.662 52.037 -0.056 0.000 0.649 328 A CB -0.294 18.669 19.000 -0.063 0.000 0.818 328 A HN 0.916 nan 8.150 nan 0.000 0.458 329 A N -1.308 121.489 122.820 -0.038 0.000 2.015 329 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 329 A C 1.691 179.258 177.584 -0.029 0.000 1.163 329 A CA 1.835 53.854 52.037 -0.031 0.000 0.646 329 A CB -0.276 18.707 19.000 -0.028 0.000 0.806 329 A HN 0.457 nan 8.150 nan 0.000 0.448 330 D N -1.171 119.208 120.400 -0.035 0.000 2.379 330 D HA 0.262 4.902 4.640 -0.000 0.000 0.218 330 D C 2.151 178.440 176.300 -0.018 0.000 1.006 330 D CA 0.965 54.943 54.000 -0.036 0.000 0.893 330 D CB -0.101 40.659 40.800 -0.067 0.000 1.019 330 D HN 0.312 nan 8.370 nan 0.000 0.503 331 A N 0.449 123.259 122.820 -0.016 0.000 1.873 331 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 331 A C 2.327 179.932 177.584 0.035 0.000 1.186 331 A CA 1.713 53.757 52.037 0.011 0.000 0.616 331 A CB -0.563 18.431 19.000 -0.010 0.000 0.823 331 A HN 0.132 nan 8.150 nan 0.000 0.442 332 S N 0.387 116.082 115.700 -0.008 0.000 2.351 332 S HA -0.100 4.370 4.470 -0.000 0.000 0.220 332 S C -0.115 174.518 174.600 0.056 0.000 1.035 332 S CA 1.863 60.064 58.200 0.000 0.000 1.031 332 S CB -1.278 61.904 63.200 -0.031 0.000 0.928 332 S HN 0.425 nan 8.310 nan 0.000 0.433 333 P HA -0.113 nan 4.420 nan 0.000 0.214 333 P C 1.537 178.865 177.300 0.047 0.000 1.169 333 P CA 0.844 63.967 63.100 0.039 0.000 0.908 333 P CB -0.084 31.626 31.700 0.018 0.000 0.791 334 L N -2.310 118.936 121.223 0.038 0.000 2.021 334 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 334 L C 2.366 179.260 176.870 0.041 0.000 1.074 334 L CA 1.858 56.714 54.840 0.027 0.000 0.760 334 L CB -1.362 40.709 42.059 0.021 0.000 0.889 334 L HN -0.106 nan 8.230 nan 0.000 0.433 335 F N -0.534 119.366 119.950 -0.083 0.000 2.046 335 F HA -0.293 4.234 4.527 -0.000 0.000 0.297 335 F C 2.395 178.087 175.800 -0.180 0.000 1.123 335 F CA 1.710 59.637 58.000 -0.121 0.000 1.199 335 F CB -0.616 38.319 39.000 -0.107 0.000 0.972 335 F HN 0.108 nan 8.300 nan 0.000 0.474 336 A N 0.384 123.292 122.820 0.146 0.000 1.881 336 A HA -0.346 3.974 4.320 -0.000 0.000 0.219 336 A C 2.230 179.738 177.584 -0.127 0.000 1.215 336 A CA 2.582 54.614 52.037 -0.008 0.000 0.648 336 A CB -1.068 17.995 19.000 0.107 0.000 0.832 336 A HN 0.488 nan 8.150 nan 0.000 0.455 337 K N -0.729 119.646 120.400 -0.041 0.000 2.044 337 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 337 K C 1.927 178.457 176.600 -0.118 0.000 1.049 337 K CA 1.531 57.793 56.287 -0.041 0.000 0.927 337 K CB -0.409 32.081 32.500 -0.017 0.000 0.713 337 K HN 0.508 nan 8.250 nan 0.000 0.443 338 N N 1.227 119.811 118.700 -0.193 0.000 2.037 338 N HA -0.209 4.531 4.740 -0.000 0.000 0.196 338 N C 1.944 177.284 175.510 -0.282 0.000 1.034 338 N CA 1.392 54.290 53.050 -0.254 0.000 0.861 338 N CB -0.561 37.689 38.487 -0.395 0.000 1.039 338 N HN 0.165 nan 8.380 nan 0.000 0.427 339 L N 0.715 121.654 121.223 -0.473 0.000 2.012 339 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 339 L C 2.509 179.283 176.870 -0.160 0.000 1.073 339 L CA 0.805 55.302 54.840 -0.571 0.000 0.748 339 L CB -0.565 40.606 42.059 -1.480 0.000 0.891 339 L HN 0.145 nan 8.230 nan 0.000 0.431 340 L N 0.122 121.317 121.223 -0.047 0.000 2.187 340 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 340 L C 2.219 179.172 176.870 0.137 0.000 1.100 340 L CA 1.394 56.411 54.840 0.294 0.000 0.765 340 L CB -0.343 41.886 42.059 0.283 0.000 0.904 340 L HN 0.365 nan 8.230 nan 0.000 0.437 341 N N -0.845 117.880 118.700 0.043 0.000 2.409 341 N HA -0.151 4.589 4.740 -0.000 0.000 0.179 341 N C 1.472 176.988 175.510 0.010 0.000 1.032 341 N CA 0.996 54.053 53.050 0.011 0.000 0.898 341 N CB -0.103 38.375 38.487 -0.015 0.000 0.971 341 N HN 0.416 nan 8.380 nan 0.000 0.441 342 F N 0.537 120.399 119.950 -0.148 0.000 2.664 342 F HA 0.217 4.744 4.527 -0.000 0.000 0.296 342 F C 1.685 177.339 175.800 -0.242 0.000 1.125 342 F CA -0.001 57.877 58.000 -0.204 0.000 1.444 342 F CB 0.207 39.088 39.000 -0.199 0.000 1.114 342 F HN -0.156 nan 8.300 nan 0.000 0.576 343 L N -0.084 121.095 121.223 -0.073 0.000 2.296 343 L HA 0.024 4.364 4.340 -0.000 0.000 0.193 343 L C 2.707 179.500 176.870 -0.127 0.000 1.123 343 L CA 1.851 56.643 54.840 -0.080 0.000 0.805 343 L CB -1.054 41.164 42.059 0.264 0.000 1.004 343 L HN 0.242 nan 8.230 nan 0.000 0.478 344 T N -2.197 112.355 114.554 -0.004 0.000 2.774 344 T HA -0.206 4.144 4.350 -0.000 0.000 0.264 344 T C -0.481 174.169 174.700 -0.084 0.000 1.037 344 T CA 1.724 63.820 62.100 -0.006 0.000 1.152 344 T CB -2.174 66.707 68.868 0.021 0.000 0.842 344 T HN 0.240 nan 8.240 nan 0.000 0.483 345 P HA -0.014 nan 4.420 nan 0.000 0.222 345 P C 0.747 178.036 177.300 -0.019 0.000 1.147 345 P CA 1.111 64.099 63.100 -0.185 0.000 0.790 345 P CB -0.181 31.299 31.700 -0.368 0.000 0.780 346 H N -2.816 116.204 119.070 -0.085 0.000 2.672 346 H HA 0.231 4.787 4.556 -0.000 0.000 0.277 346 H C -0.261 175.033 175.328 -0.058 0.000 1.074 346 H CA -0.451 55.541 56.048 -0.093 0.000 1.173 346 H CB 0.723 30.389 29.762 -0.160 0.000 1.558 346 H HN -0.152 nan 8.280 nan 0.000 0.539 347 V N 2.536 122.477 119.914 0.046 0.000 2.288 347 V HA -0.027 4.093 4.120 -0.000 0.000 0.266 347 V C 0.416 176.493 176.094 -0.027 0.000 1.048 347 V CA -0.846 61.449 62.300 -0.008 0.000 0.842 347 V CB 0.587 32.387 31.823 -0.039 0.000 1.064 347 V HN 0.397 nan 8.190 nan 0.000 0.472 348 D N 4.212 124.596 120.400 -0.027 0.000 2.567 348 D HA -0.089 4.551 4.640 -0.000 0.000 0.228 348 D C 0.779 177.040 176.300 -0.065 0.000 1.185 348 D CA 0.308 54.285 54.000 -0.039 0.000 0.874 348 D CB 0.978 41.754 40.800 -0.039 0.000 1.219 348 D HN 0.319 nan 8.370 nan 0.000 0.494 349 K N 2.280 122.647 120.400 -0.054 0.000 2.141 349 K HA -0.001 4.318 4.320 -0.000 0.000 0.202 349 K C 1.081 177.641 176.600 -0.067 0.000 1.045 349 K CA 0.871 57.123 56.287 -0.058 0.000 0.971 349 K CB 0.062 32.539 32.500 -0.039 0.000 0.795 349 K HN 0.403 nan 8.250 nan 0.000 0.459 350 D N -0.367 119.999 120.400 -0.056 0.000 2.514 350 D HA 0.030 4.670 4.640 -0.000 0.000 0.249 350 D C 1.191 177.459 176.300 -0.053 0.000 1.036 350 D CA 0.752 54.722 54.000 -0.050 0.000 0.911 350 D CB 0.259 41.036 40.800 -0.037 0.000 1.145 350 D HN -0.008 nan 8.370 nan 0.000 0.495 351 T N 1.697 116.221 114.554 -0.051 0.000 3.077 351 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 351 T C 0.331 174.990 174.700 -0.068 0.000 1.146 351 T CA 0.546 62.616 62.100 -0.050 0.000 1.091 351 T CB -0.232 68.612 68.868 -0.039 0.000 0.892 351 T HN 0.145 nan 8.240 nan 0.000 0.533 352 K N 0.917 121.259 120.400 -0.096 0.000 3.177 352 K HA -0.150 4.170 4.320 -0.000 0.000 0.266 352 K C -0.094 176.423 176.600 -0.138 0.000 0.937 352 K CA 0.657 56.861 56.287 -0.139 0.000 0.702 352 K CB -2.946 29.473 32.500 -0.135 0.000 1.365 352 K HN 0.382 nan 8.250 nan 0.000 0.466 353 T N -0.556 113.926 114.554 -0.119 0.000 2.906 353 T HA 0.724 5.074 4.350 -0.000 0.000 0.295 353 T C -1.360 173.296 174.700 -0.074 0.000 1.075 353 T CA -0.992 61.058 62.100 -0.085 0.000 1.005 353 T CB 1.100 69.941 68.868 -0.045 0.000 1.136 353 T HN 0.418 nan 8.240 nan 0.000 0.498 354 L N 3.593 124.802 121.223 -0.024 0.000 2.341 354 L HA 0.914 5.254 4.340 -0.000 0.000 0.278 354 L C -1.331 175.560 176.870 0.035 0.000 1.005 354 L CA -0.737 54.116 54.840 0.022 0.000 0.818 354 L CB 1.555 43.669 42.059 0.091 0.000 1.259 354 L HN 0.459 nan 8.230 nan 0.000 0.418 355 V N 6.769 126.702 119.914 0.032 0.000 2.482 355 V HA 0.404 4.524 4.120 -0.000 0.000 0.295 355 V C -0.317 175.772 176.094 -0.008 0.000 1.026 355 V CA -0.648 61.662 62.300 0.017 0.000 0.856 355 V CB 1.827 33.648 31.823 -0.004 0.000 1.001 355 V HN 0.743 nan 8.190 nan 0.000 0.424 356 M N 5.548 125.150 119.600 0.002 0.000 2.194 356 M HA 0.302 4.782 4.480 -0.000 0.000 0.347 356 M C 0.933 177.113 176.300 -0.199 0.000 1.439 356 M CA 0.040 55.268 55.300 -0.119 0.000 1.131 356 M CB 0.364 32.992 32.600 0.047 0.000 1.733 356 M HN 0.633 nan 8.290 nan 0.000 0.467 357 K N 2.916 123.055 120.400 -0.436 0.000 2.436 357 K HA -0.076 4.244 4.320 -0.000 0.000 0.228 357 K C 1.192 177.701 176.600 -0.152 0.000 0.733 357 K CA 1.963 58.061 56.287 -0.315 0.000 0.930 357 K CB -0.239 32.013 32.500 -0.414 0.000 0.423 357 K HN 0.782 nan 8.250 nan 0.000 0.939 358 L N -4.173 116.988 121.223 -0.104 0.000 1.466 358 L HA -0.156 4.184 4.340 -0.000 0.000 0.451 358 L C 0.852 177.720 176.870 -0.004 0.000 0.954 358 L CA 0.555 55.382 54.840 -0.020 0.000 2.422 358 L CB -0.471 41.585 42.059 -0.005 0.000 1.472 358 L HN 0.223 nan 8.230 nan 0.000 0.588 359 E N 0.835 121.022 120.200 -0.021 0.000 2.511 359 E HA -0.003 4.346 4.350 -0.000 0.000 0.196 359 E C 0.307 176.908 176.600 0.001 0.000 1.066 359 E CA 0.231 56.627 56.400 -0.006 0.000 0.871 359 E CB -0.174 29.519 29.700 -0.012 0.000 0.863 359 E HN 0.224 nan 8.360 nan 0.000 0.520 360 D N 1.727 122.119 120.400 -0.013 0.000 2.346 360 D HA -0.045 4.595 4.640 -0.000 0.000 0.260 360 D C 0.732 177.067 176.300 0.058 0.000 1.252 360 D CA 0.075 54.083 54.000 0.013 0.000 0.895 360 D CB 0.636 41.418 40.800 -0.030 0.000 1.097 360 D HN 0.114 nan 8.370 nan 0.000 0.489 361 E N 2.112 122.348 120.200 0.061 0.000 2.136 361 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 361 E C 1.490 178.154 176.600 0.107 0.000 1.019 361 E CA 1.270 57.712 56.400 0.070 0.000 0.819 361 E CB -0.244 29.490 29.700 0.056 0.000 0.739 361 E HN 0.464 nan 8.360 nan 0.000 0.458 362 T N 1.208 115.843 114.554 0.135 0.000 2.569 362 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 362 T C 2.139 177.019 174.700 0.301 0.000 1.074 362 T CA 1.760 63.988 62.100 0.215 0.000 1.176 362 T CB -0.236 68.790 68.868 0.263 0.000 0.863 362 T HN -0.006 nan 8.240 nan 0.000 0.410 363 V N 2.021 122.100 119.914 0.273 0.000 2.469 363 V HA -0.173 3.947 4.120 -0.000 0.000 0.251 363 V C 2.717 179.009 176.094 0.330 0.000 1.064 363 V CA 2.077 64.557 62.300 0.299 0.000 1.066 363 V CB -0.900 30.963 31.823 0.067 0.000 0.667 363 V HN 0.676 nan 8.190 nan 0.000 0.461 364 S N 1.053 116.879 115.700 0.209 0.000 2.345 364 S HA -0.042 4.427 4.470 -0.000 0.000 0.219 364 S C 2.092 176.823 174.600 0.219 0.000 1.031 364 S CA 1.091 59.400 58.200 0.181 0.000 0.984 364 S CB -1.024 62.241 63.200 0.108 0.000 0.874 364 S HN 0.504 nan 8.310 nan 0.000 0.451 365 G N 0.406 109.324 108.800 0.198 0.000 2.625 365 G HA2 0.078 4.038 3.960 -0.000 0.000 0.214 365 G HA3 0.078 4.038 3.960 -0.000 0.000 0.214 365 G C 1.114 176.138 174.900 0.208 0.000 1.132 365 G CA 1.152 46.391 45.100 0.230 0.000 0.782 365 G HN 0.566 nan 8.290 nan 0.000 0.538 366 T N -0.839 113.836 114.554 0.202 0.000 3.056 366 T HA 0.031 4.381 4.350 -0.000 0.000 0.241 366 T C 1.354 176.135 174.700 0.135 0.000 1.006 366 T CA -0.049 62.124 62.100 0.122 0.000 1.115 366 T CB -0.035 68.914 68.868 0.136 0.000 0.939 366 T HN 0.234 nan 8.240 nan 0.000 0.462 367 C N 4.698 124.172 119.300 0.290 0.000 2.592 367 C HA 0.264 4.724 4.460 -0.000 0.000 0.408 367 C C 1.988 176.962 174.990 -0.027 0.000 1.436 367 C CA -0.265 58.773 59.018 0.033 0.000 1.595 367 C CB -1.063 26.674 27.740 -0.004 0.000 2.487 367 C HN 0.463 nan 8.230 nan 0.000 0.610 368 V N 3.127 122.973 119.914 -0.113 0.000 3.643 368 V HA 0.378 4.497 4.120 -0.000 0.000 0.280 368 V C 0.647 176.716 176.094 -0.042 0.000 1.351 368 V CA 0.933 63.184 62.300 -0.082 0.000 1.073 368 V CB -0.323 31.421 31.823 -0.132 0.000 0.863 368 V HN 1.003 nan 8.190 nan 0.000 0.436 369 T N 1.961 116.464 114.554 -0.084 0.000 4.307 369 T HA 0.299 4.649 4.350 -0.000 0.000 0.313 369 T C -0.419 174.223 174.700 -0.097 0.000 0.710 369 T CA -0.596 61.466 62.100 -0.064 0.000 0.920 369 T CB 0.464 69.306 68.868 -0.044 0.000 1.155 369 T HN 0.817 nan 8.240 nan 0.000 0.468 370 R N 2.493 122.945 120.500 -0.079 0.000 2.549 370 R HA 0.629 4.969 4.340 -0.000 0.000 0.267 370 R C -0.729 175.549 176.300 -0.037 0.000 1.045 370 R CA -0.870 55.184 56.100 -0.077 0.000 1.115 370 R CB 0.237 30.503 30.300 -0.057 0.000 1.121 370 R HN 0.265 nan 8.270 nan 0.000 0.543 371 D N 0.926 121.311 120.400 -0.025 0.000 4.812 371 D HA -0.051 4.589 4.640 -0.000 0.000 0.206 371 D C 0.960 177.256 176.300 -0.007 0.000 1.283 371 D CA 2.403 56.397 54.000 -0.009 0.000 0.795 371 D CB -0.113 40.688 40.800 0.001 0.000 1.274 371 D HN 0.815 nan 8.370 nan 0.000 0.710 372 G N 0.681 109.477 108.800 -0.006 0.000 2.083 372 G HA2 0.217 4.177 3.960 -0.000 0.000 0.199 372 G HA3 0.217 4.177 3.960 -0.000 0.000 0.199 372 G C -0.187 174.710 174.900 -0.004 0.000 2.367 372 G CA 0.292 45.390 45.100 -0.003 0.000 1.555 372 G HN 1.072 nan 8.290 nan 0.000 0.490 373 A N -0.923 121.894 122.820 -0.005 0.000 2.588 373 A HA 0.785 5.105 4.320 -0.000 0.000 0.290 373 A C -0.591 176.992 177.584 -0.002 0.000 1.136 373 A CA -0.312 51.724 52.037 -0.002 0.000 0.681 373 A CB 0.479 19.480 19.000 0.002 0.000 1.282 373 A HN 1.213 nan 8.150 nan 0.000 0.421 374 I N 0.159 120.731 120.570 0.005 0.000 2.993 374 I HA 0.134 4.304 4.170 -0.000 0.000 0.301 374 I C 1.040 177.172 176.117 0.024 0.000 1.229 374 I CA 1.273 62.582 61.300 0.015 0.000 1.435 374 I CB 0.656 38.671 38.000 0.024 0.000 1.328 374 I HN 0.930 nan 8.210 nan 0.000 0.584 375 V N 1.389 121.331 119.914 0.046 0.000 3.342 375 V HA 0.407 4.527 4.120 -0.000 0.000 0.494 375 V C -0.647 175.510 176.094 0.104 0.000 1.598 375 V CA -0.523 61.807 62.300 0.051 0.000 1.948 375 V CB -0.571 31.272 31.823 0.033 0.000 1.274 375 V HN 0.828 nan 8.190 nan 0.000 0.650 376 H N 2.236 121.304 119.070 -0.004 0.000 2.609 376 H HA 0.644 5.200 4.556 -0.000 0.000 0.344 376 H C -2.189 173.140 175.328 0.002 0.000 1.040 376 H CA -1.449 54.600 56.048 0.002 0.000 1.216 376 H CB 3.330 33.092 29.762 -0.001 0.000 1.529 376 H HN 0.060 nan 8.280 nan 0.000 0.519 377 P HA -0.154 nan 4.420 nan 0.000 0.231 377 P C 0.537 177.745 177.300 -0.152 0.000 1.154 377 P CA 1.057 64.007 63.100 -0.250 0.000 0.762 377 P CB 0.087 31.626 31.700 -0.268 0.000 0.790 378 A N 0.719 123.505 122.820 -0.057 0.000 1.824 378 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 378 A C 2.118 179.743 177.584 0.069 0.000 1.244 378 A CA 1.134 53.241 52.037 0.118 0.000 0.604 378 A CB -1.208 18.010 19.000 0.363 0.000 0.900 378 A HN 0.035 nan 8.150 nan 0.000 0.455 379 L N -0.417 120.858 121.223 0.087 0.000 2.162 379 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 379 L C 1.391 178.279 176.870 0.030 0.000 1.086 379 L CA 1.245 56.114 54.840 0.048 0.000 0.778 379 L CB -1.760 40.326 42.059 0.046 0.000 0.928 379 L HN 0.349 nan 8.230 nan 0.000 0.446 380 T N 0.673 115.246 114.554 0.032 0.000 2.727 380 T HA 0.515 4.865 4.350 -0.000 0.000 0.295 380 T C 0.231 174.929 174.700 -0.003 0.000 0.915 380 T CA 0.517 62.626 62.100 0.015 0.000 1.066 380 T CB -0.037 68.842 68.868 0.020 0.000 0.891 380 T HN 0.647 nan 8.240 nan 0.000 0.516 381 G N 0.000 108.798 108.800 -0.003 0.000 5.446 381 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 381 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 381 G CA 0.000 45.094 45.100 -0.009 0.000 0.502 381 G HN 0.000 nan 8.290 nan 0.000 0.925