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 3h0m_1_T DATA FIRST_RESID 3 DATA SEQUENCE EKYEAVIGLE IHVQMDTKTK MFCGCKVEFG AEPNTNVCPV CLGMPGALPI DATA SEQUENCE VNKRAVEYAI RASLALNCEV HEESVFARKH YFYPDLPKGY QISQYEKPLA DATA SEQUENCE TNGWVELNLP NGEKKKVRIR RLHIEEDAGK NIHEGDKTLV DLNRAGTPLM DATA SEQUENCE EIVTEPDIRT PEEARLFLEK LRNIMRYAGV SKADMEKGQL RCDINVSIRP DATA SEQUENCE KGSKEFGTRV EIKNVNSFRF VQKALEYEIE RQINVVEEGG EVVQETRTFD DATA SEQUENCE PQTGKTYPMR TKEEAEDYRY FPDPDLVPLK VKKEWIEEIK KNMPELPDQR DATA SEQUENCE FERLIKEYGL SEYEAGILVN HKEVGDFFEE AVRHFKEPKG IVNWLINDLL DATA SEQUENCE GLLRDKGISI EESPVKPEHL AELVKLIKEK VISTKIGKEV IKEMVETGKT DATA SEQUENCE PSQIVEEKGL 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.600 176.600 0.000 0.000 1.382 3 E CA 0.000 56.416 56.400 0.027 0.000 0.976 3 E CB 0.000 29.728 29.700 0.047 0.000 0.812 4 K N 1.849 122.235 120.400 -0.023 0.000 2.155 4 K HA 0.042 4.362 4.320 0.000 0.000 0.203 4 K C 0.248 176.685 176.600 -0.271 0.000 1.052 4 K CA 0.930 57.109 56.287 -0.181 0.000 0.948 4 K CB 0.015 32.331 32.500 -0.307 0.000 0.728 4 K HN 0.378 nan 8.250 nan 0.000 0.448 5 Y N 0.568 120.851 120.300 -0.027 0.000 2.534 5 Y HA 0.293 4.843 4.550 0.000 0.000 0.338 5 Y C 0.086 175.966 175.900 -0.033 0.000 1.279 5 Y CA -0.762 57.319 58.100 -0.031 0.000 1.436 5 Y CB 0.927 39.369 38.460 -0.030 0.000 1.573 5 Y HN -0.150 nan 8.280 nan 0.000 0.567 6 E N -0.153 120.157 120.200 0.184 0.000 2.335 6 E HA 0.625 4.976 4.350 0.000 0.000 0.280 6 E C -1.883 174.753 176.600 0.060 0.000 0.918 6 E CA -0.858 55.586 56.400 0.073 0.000 0.765 6 E CB 1.602 31.316 29.700 0.023 0.000 1.218 6 E HN 0.669 nan 8.360 nan 0.000 0.425 7 A N 3.129 125.966 122.820 0.028 0.000 2.260 7 A HA 0.540 4.860 4.320 0.000 0.000 0.314 7 A C -0.645 176.948 177.584 0.015 0.000 1.257 7 A CA -0.534 51.510 52.037 0.013 0.000 0.871 7 A CB 0.742 19.740 19.000 -0.004 0.000 1.166 7 A HN 0.278 nan 8.150 nan 0.000 0.522 8 V N 3.855 123.788 119.914 0.032 0.000 2.370 8 V HA 0.487 4.607 4.120 0.000 0.000 0.279 8 V C -0.296 175.817 176.094 0.032 0.000 1.029 8 V CA -0.093 62.240 62.300 0.055 0.000 0.870 8 V CB 0.532 32.438 31.823 0.138 0.000 0.984 8 V HN 0.698 nan 8.190 nan 0.000 0.451 9 I N 3.824 124.395 120.570 0.001 0.000 2.499 9 I HA 0.752 4.922 4.170 0.000 0.000 0.288 9 I C 0.497 176.573 176.117 -0.068 0.000 1.048 9 I CA -0.152 61.129 61.300 -0.032 0.000 1.062 9 I CB 2.192 40.164 38.000 -0.046 0.000 1.238 9 I HN 0.736 nan 8.210 nan 0.000 0.426 10 G N 6.226 114.984 108.800 -0.070 0.000 2.498 10 G HA2 0.876 4.836 3.960 0.000 0.000 0.312 10 G HA3 0.876 4.836 3.960 0.000 0.000 0.312 10 G C -1.285 173.557 174.900 -0.098 0.000 1.230 10 G CA -0.615 44.419 45.100 -0.109 0.000 0.968 10 G HN 0.409 nan 8.290 nan 0.000 0.481 11 L N 0.211 121.357 121.223 -0.127 0.000 2.401 11 L HA 0.517 4.857 4.340 0.000 0.000 0.266 11 L C -0.604 176.242 176.870 -0.039 0.000 0.991 11 L CA -0.859 53.941 54.840 -0.067 0.000 0.818 11 L CB 2.671 44.694 42.059 -0.060 0.000 1.321 11 L HN 0.510 nan 8.230 nan 0.000 0.413 12 E N 3.587 123.784 120.200 -0.005 0.000 2.145 12 E HA 0.527 4.878 4.350 0.000 0.000 0.262 12 E C -1.259 175.316 176.600 -0.042 0.000 0.883 12 E CA -0.553 55.823 56.400 -0.040 0.000 0.748 12 E CB 2.329 32.023 29.700 -0.009 0.000 1.140 12 E HN 0.308 nan 8.360 nan 0.000 0.417 13 I N 2.387 122.895 120.570 -0.103 0.000 2.404 13 I HA 0.211 4.381 4.170 0.000 0.000 0.293 13 I C -0.491 175.504 176.117 -0.203 0.000 0.992 13 I CA -0.537 60.742 61.300 -0.034 0.000 1.149 13 I CB 1.071 39.102 38.000 0.052 0.000 1.315 13 I HN 0.443 nan 8.210 nan 0.000 0.446 14 H N 4.361 123.457 119.070 0.044 0.000 2.476 14 H HA 0.659 5.215 4.556 0.000 0.000 0.328 14 H C -0.923 174.428 175.328 0.039 0.000 1.073 14 H CA -0.611 55.454 56.048 0.029 0.000 1.229 14 H CB 1.571 31.355 29.762 0.038 0.000 1.432 14 H HN 0.224 nan 8.280 nan 0.000 0.477 15 V N 3.766 123.746 119.914 0.110 0.000 2.444 15 V HA 0.172 4.292 4.120 0.000 0.000 0.294 15 V C -0.164 175.979 176.094 0.082 0.000 1.022 15 V CA -0.846 61.502 62.300 0.081 0.000 0.850 15 V CB 1.622 33.469 31.823 0.039 0.000 0.992 15 V HN 0.747 nan 8.190 nan 0.000 0.426 16 Q N 4.702 124.550 119.800 0.080 0.000 2.288 16 Q HA 0.464 4.804 4.340 0.000 0.000 0.258 16 Q C -0.620 175.426 176.000 0.077 0.000 0.957 16 Q CA -0.348 55.499 55.803 0.075 0.000 0.919 16 Q CB 0.957 29.735 28.738 0.067 0.000 1.185 16 Q HN 0.673 nan 8.270 nan 0.000 0.408 17 M N 2.920 122.570 119.600 0.083 0.000 2.185 17 M HA 0.068 4.549 4.480 0.000 0.000 0.357 17 M C -0.069 176.305 176.300 0.123 0.000 1.260 17 M CA -0.241 55.136 55.300 0.128 0.000 1.124 17 M CB 0.645 33.311 32.600 0.110 0.000 1.600 17 M HN 0.502 nan 8.290 nan 0.000 0.467 18 D N 3.150 123.671 120.400 0.202 0.000 2.885 18 D HA 0.033 4.673 4.640 0.000 0.000 0.234 18 D C -0.166 176.234 176.300 0.167 0.000 1.129 18 D CA 0.054 54.160 54.000 0.178 0.000 0.991 18 D CB 0.076 40.984 40.800 0.180 0.000 1.137 18 D HN 0.560 nan 8.370 nan 0.000 0.459 19 T N -2.367 112.203 114.554 0.028 0.000 2.918 19 T HA 0.260 4.610 4.350 0.000 0.000 0.283 19 T C 1.366 176.052 174.700 -0.024 0.000 1.001 19 T CA -0.816 61.236 62.100 -0.081 0.000 1.041 19 T CB 1.990 70.753 68.868 -0.175 0.000 1.028 19 T HN -0.005 nan 8.240 nan 0.000 0.511 20 K N 0.344 120.725 120.400 -0.031 0.000 2.097 20 K HA 0.004 4.324 4.320 0.000 0.000 0.206 20 K C 0.828 177.418 176.600 -0.016 0.000 1.049 20 K CA 1.015 57.296 56.287 -0.010 0.000 0.933 20 K CB -0.084 32.411 32.500 -0.008 0.000 0.717 20 K HN 0.558 nan 8.250 nan 0.000 0.442 21 T N 0.672 115.202 114.554 -0.039 0.000 2.950 21 T HA 0.247 4.597 4.350 0.000 0.000 0.288 21 T C -0.182 174.485 174.700 -0.054 0.000 1.035 21 T CA -0.763 61.314 62.100 -0.039 0.000 1.028 21 T CB 1.901 70.743 68.868 -0.043 0.000 1.109 21 T HN -0.043 nan 8.240 nan 0.000 0.514 22 K N 0.872 121.244 120.400 -0.047 0.000 2.143 22 K HA 0.169 4.489 4.320 0.000 0.000 0.239 22 K C 1.289 177.804 176.600 -0.141 0.000 1.048 22 K CA -0.483 55.766 56.287 -0.064 0.000 0.867 22 K CB 0.161 32.645 32.500 -0.028 0.000 1.088 22 K HN 0.402 nan 8.250 nan 0.000 0.510 23 M N 0.168 119.629 119.600 -0.232 0.000 2.132 23 M HA -0.038 4.442 4.480 0.000 0.000 0.263 23 M C 0.511 176.390 176.300 -0.701 0.000 1.065 23 M CA 1.901 56.871 55.300 -0.550 0.000 1.122 23 M CB 0.175 32.284 32.600 -0.819 0.000 1.365 23 M HN 0.534 nan 8.290 nan 0.000 0.411 24 F N -0.799 119.110 119.950 -0.067 0.000 2.724 24 F HA 0.319 4.846 4.527 0.000 0.000 0.310 24 F C 0.269 176.034 175.800 -0.058 0.000 1.107 24 F CA -0.903 57.045 58.000 -0.086 0.000 1.218 24 F CB 0.022 38.957 39.000 -0.108 0.000 1.042 24 F HN 0.293 nan 8.300 nan 0.000 0.540 25 C N -2.742 116.602 119.300 0.072 0.000 3.312 25 C HA 0.746 5.206 4.460 0.000 0.000 0.332 25 C C 1.134 176.129 174.990 0.008 0.000 1.340 25 C CA -0.578 58.465 59.018 0.042 0.000 1.265 25 C CB 1.145 28.911 27.740 0.043 0.000 1.563 25 C HN 0.326 nan 8.230 nan 0.000 0.471 26 G N 0.095 108.898 108.800 0.005 0.000 3.262 26 G HA2 0.319 4.279 3.960 0.000 0.000 0.228 26 G HA3 0.319 4.279 3.960 0.000 0.000 0.228 26 G C 0.442 175.340 174.900 -0.004 0.000 1.197 26 G CA 0.144 45.242 45.100 -0.004 0.000 0.819 26 G HN 1.051 nan 8.290 nan 0.000 0.531 27 C N 0.922 120.221 119.300 -0.001 0.000 2.676 27 C HA 0.257 4.717 4.460 0.000 0.000 0.416 27 C C 0.971 175.960 174.990 -0.002 0.000 1.299 27 C CA -0.833 58.185 59.018 0.000 0.000 2.048 27 C CB 0.445 28.186 27.740 0.003 0.000 2.713 27 C HN 0.391 nan 8.230 nan 0.000 0.624 28 K N 1.322 121.723 120.400 0.002 0.000 2.326 28 K HA 0.331 4.652 4.320 0.000 0.000 0.275 28 K C -0.626 175.981 176.600 0.012 0.000 1.018 28 K CA -0.225 56.065 56.287 0.006 0.000 0.962 28 K CB 0.565 33.071 32.500 0.010 0.000 0.953 28 K HN 0.431 nan 8.250 nan 0.000 0.475 29 V N 4.219 124.143 119.914 0.016 0.000 2.385 29 V HA 0.136 4.257 4.120 0.000 0.000 0.269 29 V C -0.004 176.121 176.094 0.052 0.000 1.043 29 V CA -0.073 62.246 62.300 0.033 0.000 0.906 29 V CB 0.406 32.245 31.823 0.027 0.000 0.995 29 V HN 0.893 nan 8.190 nan 0.000 0.467 30 E N 4.656 124.898 120.200 0.070 0.000 2.407 30 E HA 0.464 4.814 4.350 0.000 0.000 0.279 30 E C -1.618 175.071 176.600 0.147 0.000 1.012 30 E CA -0.916 55.543 56.400 0.099 0.000 0.800 30 E CB 1.890 31.628 29.700 0.064 0.000 1.276 30 E HN 0.289 nan 8.360 nan 0.000 0.452 31 F N 1.305 121.264 119.950 0.015 0.000 2.408 31 F HA 0.502 5.029 4.527 0.000 0.000 0.344 31 F C 1.103 176.912 175.800 0.015 0.000 1.112 31 F CA 0.842 58.852 58.000 0.017 0.000 1.096 31 F CB 1.428 40.438 39.000 0.018 0.000 1.129 31 F HN 0.816 nan 8.300 nan 0.000 0.486 32 G N 4.231 112.587 108.800 -0.741 0.000 2.295 32 G HA2 -0.020 3.941 3.960 0.000 0.000 0.287 32 G HA3 -0.020 3.941 3.960 0.000 0.000 0.287 32 G C 0.002 174.760 174.900 -0.237 0.000 1.055 32 G CA 0.099 44.847 45.100 -0.587 0.000 0.922 32 G HN 1.145 nan 8.290 nan 0.000 0.503 33 A N -0.716 122.010 122.820 -0.156 0.000 2.259 33 A HA 0.740 5.060 4.320 0.000 0.000 0.278 33 A C 0.582 178.116 177.584 -0.083 0.000 1.107 33 A CA -0.188 51.798 52.037 -0.085 0.000 0.828 33 A CB 0.464 19.436 19.000 -0.047 0.000 1.111 33 A HN 0.564 nan 8.150 nan 0.000 0.498 34 E N 0.957 121.125 120.200 -0.055 0.000 2.414 34 E HA 0.206 4.556 4.350 0.000 0.000 0.263 34 E C -2.289 174.285 176.600 -0.043 0.000 1.000 34 E CA -1.262 55.110 56.400 -0.046 0.000 0.914 34 E CB 0.043 29.724 29.700 -0.032 0.000 0.948 34 E HN 0.307 nan 8.360 nan 0.000 0.444 35 P HA -0.137 nan 4.420 nan 0.000 0.262 35 P C -0.723 176.560 177.300 -0.029 0.000 1.182 35 P CA 0.368 63.446 63.100 -0.037 0.000 0.761 35 P CB 0.309 31.988 31.700 -0.034 0.000 0.795 36 N N 0.716 119.401 118.700 -0.026 0.000 2.725 36 N HA -0.153 4.587 4.740 0.000 0.000 0.251 36 N C 0.682 176.181 175.510 -0.018 0.000 1.031 36 N CA 1.396 54.434 53.050 -0.021 0.000 0.720 36 N CB -1.237 37.237 38.487 -0.021 0.000 0.930 36 N HN 0.594 nan 8.380 nan 0.000 0.543 37 T N -4.819 109.724 114.554 -0.019 0.000 3.018 37 T HA 0.057 4.407 4.350 0.000 0.000 0.246 37 T C 0.730 175.424 174.700 -0.011 0.000 1.026 37 T CA 0.077 62.169 62.100 -0.015 0.000 1.081 37 T CB 0.353 69.211 68.868 -0.016 0.000 0.970 37 T HN 0.048 nan 8.240 nan 0.000 0.475 38 N N 2.025 120.720 118.700 -0.009 0.000 3.124 38 N HA 0.498 5.238 4.740 0.000 0.000 0.284 38 N C -1.282 174.227 175.510 -0.003 0.000 1.209 38 N CA 0.098 53.146 53.050 -0.004 0.000 1.149 38 N CB 1.117 39.604 38.487 -0.000 0.000 1.434 38 N HN 0.256 nan 8.380 nan 0.000 0.529 39 V N 0.429 120.341 119.914 -0.004 0.000 3.120 39 V HA 0.649 4.769 4.120 0.000 0.000 0.303 39 V C -0.888 175.204 176.094 -0.005 0.000 1.238 39 V CA -0.651 61.646 62.300 -0.005 0.000 1.008 39 V CB 2.300 34.118 31.823 -0.009 0.000 1.064 39 V HN 0.691 nan 8.190 nan 0.000 0.434 40 C N 3.396 122.693 119.300 -0.005 0.000 3.295 40 C HA 0.639 5.099 4.460 0.000 0.000 0.341 40 C C -2.307 172.679 174.990 -0.007 0.000 1.418 40 C CA -0.827 58.188 59.018 -0.004 0.000 1.240 40 C CB 0.968 28.708 27.740 0.000 0.000 1.562 40 C HN 0.586 nan 8.230 nan 0.000 0.457 41 P HA -0.088 nan 4.420 nan 0.000 0.215 41 P C 1.746 179.038 177.300 -0.014 0.000 1.153 41 P CA 1.934 65.028 63.100 -0.011 0.000 0.853 41 P CB 0.026 31.721 31.700 -0.007 0.000 0.788 42 V N 0.705 120.615 119.914 -0.007 0.000 2.220 42 V HA -0.299 3.821 4.120 0.000 0.000 0.246 42 V C 2.619 178.706 176.094 -0.013 0.000 1.049 42 V CA 2.476 64.772 62.300 -0.006 0.000 1.003 42 V CB -1.912 29.922 31.823 0.017 0.000 0.634 42 V HN 0.284 nan 8.190 nan 0.000 0.444 43 C N -0.885 118.416 119.300 0.001 0.000 2.472 43 C HA 0.200 4.660 4.460 0.000 0.000 0.278 43 C C 2.249 177.225 174.990 -0.023 0.000 1.447 43 C CA -0.119 58.900 59.018 0.001 0.000 1.773 43 C CB -1.746 26.003 27.740 0.015 0.000 1.793 43 C HN 0.523 nan 8.230 nan 0.000 0.544 44 L N 1.300 122.506 121.223 -0.028 0.000 2.592 44 L HA 0.283 4.623 4.340 0.000 0.000 0.227 44 L C 1.863 178.700 176.870 -0.054 0.000 1.127 44 L CA 0.898 55.717 54.840 -0.036 0.000 0.884 44 L CB -0.482 41.561 42.059 -0.026 0.000 1.065 44 L HN 0.546 nan 8.230 nan 0.000 0.457 45 G N 1.055 109.812 108.800 -0.070 0.000 2.298 45 G HA2 -0.305 3.655 3.960 0.000 0.000 0.287 45 G HA3 -0.305 3.655 3.960 0.000 0.000 0.287 45 G C 0.016 174.878 174.900 -0.064 0.000 1.075 45 G CA 0.046 45.086 45.100 -0.099 0.000 0.960 45 G HN 0.215 nan 8.290 nan 0.000 0.502 46 M N 0.104 119.678 119.600 -0.042 0.000 2.409 46 M HA 0.410 4.890 4.480 0.000 0.000 0.329 46 M C -1.877 174.413 176.300 -0.017 0.000 1.180 46 M CA -2.032 53.252 55.300 -0.026 0.000 1.053 46 M CB 1.150 33.738 32.600 -0.019 0.000 1.586 46 M HN -0.011 nan 8.290 nan 0.000 0.461 47 P HA 0.164 nan 4.420 nan 0.000 0.268 47 P C 0.435 177.737 177.300 0.002 0.000 1.204 47 P CA 0.477 63.578 63.100 0.002 0.000 0.768 47 P CB 0.511 32.215 31.700 0.005 0.000 0.842 48 G N 1.303 110.107 108.800 0.008 0.000 2.179 48 G HA2 -0.155 3.805 3.960 0.000 0.000 0.260 48 G HA3 -0.155 3.805 3.960 0.000 0.000 0.260 48 G C 0.377 175.279 174.900 0.003 0.000 0.977 48 G CA 0.014 45.119 45.100 0.007 0.000 0.641 48 G HN 0.873 nan 8.290 nan 0.000 0.533 49 A N 0.066 122.884 122.820 -0.002 0.000 2.327 49 A HA 0.809 5.129 4.320 0.000 0.000 0.283 49 A C 0.124 177.702 177.584 -0.011 0.000 1.127 49 A CA -0.093 51.940 52.037 -0.007 0.000 0.810 49 A CB 0.576 19.569 19.000 -0.013 0.000 1.066 49 A HN 0.894 nan 8.150 nan 0.000 0.492 50 L N 3.574 124.790 121.223 -0.012 0.000 2.362 50 L HA 0.505 4.846 4.340 0.000 0.000 0.271 50 L C -2.219 174.631 176.870 -0.032 0.000 1.002 50 L CA -2.043 52.783 54.840 -0.024 0.000 0.818 50 L CB 2.366 44.416 42.059 -0.016 0.000 1.298 50 L HN 0.529 nan 8.230 nan 0.000 0.420 51 P HA 0.381 nan 4.420 nan 0.000 0.279 51 P C -1.076 176.218 177.300 -0.011 0.000 1.239 51 P CA -0.178 62.858 63.100 -0.108 0.000 0.789 51 P CB 1.514 32.931 31.700 -0.472 0.000 0.933 52 I N 2.556 123.204 120.570 0.130 0.000 2.478 52 I HA 0.131 4.301 4.170 0.000 0.000 0.287 52 I C -0.030 176.206 176.117 0.197 0.000 1.042 52 I CA -0.950 60.425 61.300 0.124 0.000 1.067 52 I CB 2.043 40.082 38.000 0.064 0.000 1.233 52 I HN 0.047 nan 8.210 nan 0.000 0.431 53 V N 5.500 125.522 119.914 0.179 0.000 2.557 53 V HA -0.030 4.090 4.120 0.000 0.000 0.301 53 V C 0.827 176.929 176.094 0.013 0.000 1.026 53 V CA -0.070 62.286 62.300 0.093 0.000 1.137 53 V CB 0.135 32.048 31.823 0.150 0.000 0.917 53 V HN 0.739 nan 8.190 nan 0.000 0.484 54 N N 4.577 123.222 118.700 -0.092 0.000 2.438 54 N HA 0.009 4.749 4.740 0.000 0.000 0.267 54 N C 1.022 176.527 175.510 -0.007 0.000 1.222 54 N CA 0.265 53.270 53.050 -0.076 0.000 0.930 54 N CB 0.638 39.032 38.487 -0.156 0.000 1.083 54 N HN 0.751 nan 8.380 nan 0.000 0.476 55 K N 3.878 124.293 120.400 0.025 0.000 2.026 55 K HA -0.147 4.173 4.320 0.000 0.000 0.208 55 K C 1.814 178.487 176.600 0.121 0.000 1.048 55 K CA 1.041 57.388 56.287 0.101 0.000 0.929 55 K CB 0.072 32.611 32.500 0.064 0.000 0.713 55 K HN 0.506 nan 8.250 nan 0.000 0.439 56 R N 0.001 120.494 120.500 -0.011 0.000 2.096 56 R HA -0.103 4.237 4.340 0.000 0.000 0.235 56 R C 2.145 178.285 176.300 -0.266 0.000 1.127 56 R CA 1.274 57.283 56.100 -0.150 0.000 0.968 56 R CB -0.268 29.855 30.300 -0.295 0.000 0.861 56 R HN 0.284 nan 8.270 nan 0.000 0.440 57 A N 0.174 122.877 122.820 -0.196 0.000 1.908 57 A HA -0.139 4.181 4.320 0.000 0.000 0.218 57 A C 2.212 179.794 177.584 -0.003 0.000 1.181 57 A CA 1.744 53.700 52.037 -0.135 0.000 0.627 57 A CB -0.531 18.397 19.000 -0.121 0.000 0.818 57 A HN 0.233 nan 8.150 nan 0.000 0.445 58 V N -0.065 119.893 119.914 0.073 0.000 2.358 58 V HA -0.245 3.875 4.120 0.000 0.000 0.246 58 V C 2.499 178.595 176.094 0.003 0.000 1.047 58 V CA 2.146 64.523 62.300 0.129 0.000 1.035 58 V CB -0.707 31.297 31.823 0.302 0.000 0.658 58 V HN 0.783 nan 8.190 nan 0.000 0.452 59 E N -0.295 119.935 120.200 0.050 0.000 2.049 59 E HA -0.271 4.079 4.350 0.000 0.000 0.198 59 E C 2.277 178.917 176.600 0.066 0.000 1.007 59 E CA 1.987 58.357 56.400 -0.050 0.000 0.809 59 E CB -0.224 29.589 29.700 0.188 0.000 0.749 59 E HN 0.625 nan 8.360 nan 0.000 0.450 60 Y N -0.018 120.244 120.300 -0.064 0.000 2.224 60 Y HA -0.066 4.484 4.550 0.000 0.000 0.289 60 Y C 2.331 178.184 175.900 -0.078 0.000 1.146 60 Y CA 0.827 58.891 58.100 -0.060 0.000 1.182 60 Y CB -1.024 37.420 38.460 -0.026 0.000 0.983 60 Y HN 0.188 nan 8.280 nan 0.000 0.524 61 A N -0.358 122.518 122.820 0.092 0.000 2.014 61 A HA -0.062 4.258 4.320 0.000 0.000 0.218 61 A C 2.277 179.833 177.584 -0.047 0.000 1.163 61 A CA 1.082 53.134 52.037 0.024 0.000 0.652 61 A CB -0.875 18.148 19.000 0.037 0.000 0.808 61 A HN 0.410 nan 8.150 nan 0.000 0.449 62 I N -0.964 119.540 120.570 -0.110 0.000 2.193 62 I HA -0.197 3.974 4.170 0.000 0.000 0.240 62 I C 2.608 178.627 176.117 -0.163 0.000 1.084 62 I CA 1.523 62.714 61.300 -0.182 0.000 1.365 62 I CB -0.323 37.467 38.000 -0.349 0.000 1.064 62 I HN 0.360 nan 8.210 nan 0.000 0.410 63 R N 1.593 122.002 120.500 -0.152 0.000 2.096 63 R HA -0.234 4.106 4.340 0.000 0.000 0.240 63 R C 2.356 178.582 176.300 -0.123 0.000 1.139 63 R CA 1.976 57.995 56.100 -0.136 0.000 0.952 63 R CB -0.409 29.815 30.300 -0.127 0.000 0.854 63 R HN 0.356 nan 8.270 nan 0.000 0.436 64 A N 0.030 122.790 122.820 -0.100 0.000 1.940 64 A HA -0.166 4.154 4.320 0.000 0.000 0.219 64 A C 2.244 179.761 177.584 -0.112 0.000 1.176 64 A CA 2.058 54.037 52.037 -0.096 0.000 0.631 64 A CB -0.625 18.338 19.000 -0.061 0.000 0.814 64 A HN 0.484 nan 8.150 nan 0.000 0.446 65 S N -0.491 115.144 115.700 -0.109 0.000 2.383 65 S HA -0.025 4.445 4.470 0.000 0.000 0.227 65 S C 1.806 176.311 174.600 -0.159 0.000 1.026 65 S CA 1.288 59.418 58.200 -0.117 0.000 0.981 65 S CB -0.360 62.782 63.200 -0.097 0.000 0.818 65 S HN 0.517 nan 8.310 nan 0.000 0.472 66 L N 1.033 122.159 121.223 -0.162 0.000 2.044 66 L HA -0.034 4.307 4.340 0.000 0.000 0.205 66 L C 2.760 179.504 176.870 -0.211 0.000 1.075 66 L CA 1.088 55.820 54.840 -0.180 0.000 0.747 66 L CB -0.672 41.297 42.059 -0.150 0.000 0.903 66 L HN 0.296 nan 8.230 nan 0.000 0.435 67 A N -0.032 122.679 122.820 -0.182 0.000 2.024 67 A HA -0.144 4.177 4.320 0.000 0.000 0.220 67 A C 1.981 179.414 177.584 -0.251 0.000 1.164 67 A CA 1.381 53.305 52.037 -0.188 0.000 0.643 67 A CB -0.616 18.296 19.000 -0.146 0.000 0.806 67 A HN 0.438 nan 8.150 nan 0.000 0.451 68 L N -0.628 120.438 121.223 -0.262 0.000 2.685 68 L HA 0.106 4.446 4.340 0.000 0.000 0.233 68 L C -0.094 176.475 176.870 -0.502 0.000 1.173 68 L CA -0.261 54.392 54.840 -0.311 0.000 0.961 68 L CB -0.414 41.532 42.059 -0.189 0.000 1.217 68 L HN 0.385 nan 8.230 nan 0.000 0.478 69 N N -0.952 117.404 118.700 -0.573 0.000 2.735 69 N HA -0.179 4.561 4.740 0.000 0.000 0.248 69 N C -0.033 175.147 175.510 -0.550 0.000 1.083 69 N CA 0.588 53.149 53.050 -0.816 0.000 0.703 69 N CB -1.955 35.337 38.487 -1.993 0.000 1.005 69 N HN 0.319 nan 8.380 nan 0.000 0.550 70 C N 0.745 119.866 119.300 -0.298 0.000 2.443 70 C HA 0.298 4.758 4.460 0.000 0.000 0.369 70 C C 1.447 176.354 174.990 -0.140 0.000 1.241 70 C CA -0.672 58.252 59.018 -0.156 0.000 2.413 70 C CB 1.176 28.848 27.740 -0.113 0.000 2.451 70 C HN 0.359 nan 8.230 nan 0.000 0.595 71 E N 1.017 121.145 120.200 -0.120 0.000 2.223 71 E HA 0.362 4.712 4.350 0.000 0.000 0.282 71 E C -0.933 175.463 176.600 -0.340 0.000 1.046 71 E CA -0.024 56.251 56.400 -0.209 0.000 0.857 71 E CB 0.478 30.049 29.700 -0.214 0.000 1.055 71 E HN 0.418 nan 8.360 nan 0.000 0.409 72 V N 6.587 126.334 119.914 -0.279 0.000 2.383 72 V HA 0.161 4.281 4.120 0.000 0.000 0.275 72 V C 0.028 175.962 176.094 -0.266 0.000 1.036 72 V CA -0.675 61.487 62.300 -0.229 0.000 0.889 72 V CB 0.849 32.592 31.823 -0.133 0.000 0.985 72 V HN 0.697 nan 8.190 nan 0.000 0.459 73 H N 4.453 123.508 119.070 -0.026 0.000 2.620 73 H HA 0.132 4.688 4.556 0.000 0.000 0.313 73 H C 1.092 176.416 175.328 -0.006 0.000 1.075 73 H CA -0.147 55.890 56.048 -0.018 0.000 1.397 73 H CB 1.555 31.300 29.762 -0.029 0.000 1.446 73 H HN 0.822 nan 8.280 nan 0.000 0.493 74 E N 3.157 123.424 120.200 0.111 0.000 2.209 74 E HA -0.171 4.179 4.350 0.000 0.000 0.196 74 E C -0.165 176.487 176.600 0.087 0.000 0.993 74 E CA 1.083 57.536 56.400 0.088 0.000 0.819 74 E CB 0.400 30.143 29.700 0.071 0.000 0.745 74 E HN 0.638 nan 8.360 nan 0.000 0.477 75 E N 0.700 120.947 120.200 0.078 0.000 2.218 75 E HA 0.238 4.588 4.350 0.000 0.000 0.263 75 E C -1.447 175.149 176.600 -0.006 0.000 0.879 75 E CA -0.463 55.959 56.400 0.037 0.000 0.762 75 E CB 1.559 31.273 29.700 0.023 0.000 1.166 75 E HN 0.187 nan 8.360 nan 0.000 0.415 76 S N 1.282 116.955 115.700 -0.044 0.000 2.632 76 S HA 0.724 5.194 4.470 0.000 0.000 0.289 76 S C -0.763 173.732 174.600 -0.175 0.000 1.115 76 S CA -0.792 57.333 58.200 -0.126 0.000 0.889 76 S CB 1.954 65.064 63.200 -0.150 0.000 1.116 76 S HN 0.188 nan 8.310 nan 0.000 0.486 77 V N 1.395 121.180 119.914 -0.214 0.000 2.525 77 V HA 0.443 4.563 4.120 0.000 0.000 0.299 77 V C -1.155 174.816 176.094 -0.205 0.000 1.034 77 V CA -0.692 61.508 62.300 -0.167 0.000 0.863 77 V CB 0.961 32.737 31.823 -0.078 0.000 0.999 77 V HN 0.878 nan 8.190 nan 0.000 0.423 78 F N 3.312 123.274 119.950 0.020 0.000 2.506 78 F HA 0.549 5.076 4.527 0.000 0.000 0.371 78 F C 0.912 176.676 175.800 -0.060 0.000 1.078 78 F CA 0.378 58.390 58.000 0.021 0.000 1.195 78 F CB 0.754 39.782 39.000 0.047 0.000 1.099 78 F HN 0.636 nan 8.300 nan 0.000 0.548 79 A N 5.060 127.961 122.820 0.134 0.000 2.350 79 A HA 0.786 5.107 4.320 0.000 0.000 0.318 79 A C -0.424 177.133 177.584 -0.045 0.000 1.132 79 A CA -1.011 51.039 52.037 0.022 0.000 0.811 79 A CB 1.171 20.263 19.000 0.153 0.000 1.313 79 A HN 0.760 nan 8.150 nan 0.000 0.454 80 R N 0.829 121.193 120.500 -0.226 0.000 2.255 80 R HA 0.347 4.687 4.340 0.000 0.000 0.326 80 R C -0.640 175.385 176.300 -0.459 0.000 0.986 80 R CA -0.384 55.453 56.100 -0.438 0.000 0.847 80 R CB 1.377 31.178 30.300 -0.831 0.000 1.111 80 R HN 0.637 nan 8.270 nan 0.000 0.452 81 K N 3.348 123.533 120.400 -0.358 0.000 2.316 81 K HA 0.189 4.509 4.320 0.000 0.000 0.267 81 K C -1.101 175.380 176.600 -0.197 0.000 1.025 81 K CA -0.599 55.430 56.287 -0.430 0.000 0.896 81 K CB 0.620 32.940 32.500 -0.301 0.000 1.124 81 K HN 0.607 nan 8.250 nan 0.000 0.451 82 H N 3.520 122.636 119.070 0.076 0.000 2.552 82 H HA 0.269 4.825 4.556 0.000 0.000 0.311 82 H C -1.125 174.368 175.328 0.274 0.000 1.071 82 H CA -0.233 55.886 56.048 0.119 0.000 1.307 82 H CB 0.605 30.389 29.762 0.037 0.000 1.416 82 H HN 0.512 nan 8.280 nan 0.000 0.464 83 Y N 0.492 120.829 120.300 0.061 0.000 2.565 83 Y HA 0.405 4.956 4.550 0.000 0.000 0.330 83 Y C -2.183 173.684 175.900 -0.056 0.000 1.150 83 Y CA -1.931 56.208 58.100 0.064 0.000 1.055 83 Y CB 0.402 38.978 38.460 0.193 0.000 1.337 83 Y HN 0.323 nan 8.280 nan 0.000 0.457 84 F N 3.748 123.821 119.950 0.206 0.000 2.371 84 F HA 0.580 5.107 4.527 0.000 0.000 0.363 84 F C -0.788 175.167 175.800 0.257 0.000 1.122 84 F CA -0.289 57.786 58.000 0.125 0.000 1.129 84 F CB 0.779 39.844 39.000 0.108 0.000 1.173 84 F HN 0.572 nan 8.300 nan 0.000 0.489 85 Y N 4.888 125.251 120.300 0.106 0.000 2.424 85 Y HA 0.269 4.819 4.550 0.000 0.000 0.323 85 Y C -2.198 173.721 175.900 0.031 0.000 1.174 85 Y CA -2.217 55.950 58.100 0.112 0.000 1.060 85 Y CB 2.036 40.617 38.460 0.201 0.000 1.314 85 Y HN 0.224 nan 8.280 nan 0.000 0.439 86 P HA -0.163 nan 4.420 nan 0.000 0.218 86 P C 0.488 177.745 177.300 -0.071 0.000 1.146 86 P CA 2.063 65.057 63.100 -0.176 0.000 0.813 86 P CB 0.259 31.780 31.700 -0.299 0.000 0.778 87 D N -1.874 118.549 120.400 0.039 0.000 2.328 87 D HA 0.023 4.663 4.640 0.000 0.000 0.226 87 D C 0.247 176.586 176.300 0.065 0.000 1.066 87 D CA 0.107 54.164 54.000 0.095 0.000 0.861 87 D CB -0.566 40.347 40.800 0.187 0.000 0.912 87 D HN 0.140 nan 8.370 nan 0.000 0.521 88 L N 1.168 122.399 121.223 0.013 0.000 2.384 88 L HA 0.362 4.702 4.340 0.000 0.000 0.261 88 L C -1.925 174.849 176.870 -0.161 0.000 1.024 88 L CA -1.886 52.886 54.840 -0.113 0.000 0.899 88 L CB 1.713 43.594 42.059 -0.297 0.000 1.243 88 L HN -0.308 nan 8.230 nan 0.000 0.449 89 P HA -0.176 nan 4.420 nan 0.000 0.215 89 P C 0.642 177.813 177.300 -0.214 0.000 1.153 89 P CA 1.543 64.558 63.100 -0.141 0.000 0.853 89 P CB 0.251 31.885 31.700 -0.111 0.000 0.788 90 K N -1.872 118.311 120.400 -0.361 0.000 2.418 90 K HA 0.219 4.540 4.320 0.000 0.000 0.195 90 K C 1.406 177.710 176.600 -0.494 0.000 1.035 90 K CA 0.727 56.690 56.287 -0.540 0.000 1.003 90 K CB -0.309 31.541 32.500 -1.083 0.000 0.793 90 K HN 0.191 nan 8.250 nan 0.000 0.494 91 G N 1.056 109.598 108.800 -0.430 0.000 2.176 91 G HA2 -0.283 3.677 3.960 0.000 0.000 0.253 91 G HA3 -0.283 3.677 3.960 0.000 0.000 0.253 91 G C -0.268 174.453 174.900 -0.299 0.000 0.979 91 G CA 0.530 45.361 45.100 -0.449 0.000 0.641 91 G HN 0.451 nan 8.290 nan 0.000 0.530 92 Y N -2.257 117.880 120.300 -0.272 0.000 2.558 92 Y HA 0.759 5.309 4.550 0.000 0.000 0.333 92 Y C -0.653 175.114 175.900 -0.221 0.000 1.125 92 Y CA -1.178 56.764 58.100 -0.264 0.000 1.039 92 Y CB 0.841 39.134 38.460 -0.278 0.000 1.331 92 Y HN 0.247 nan 8.280 nan 0.000 0.456 93 Q N 3.355 123.191 119.800 0.060 0.000 2.257 93 Q HA 0.553 4.893 4.340 0.000 0.000 0.255 93 Q C -1.212 174.899 176.000 0.185 0.000 0.920 93 Q CA -0.766 55.106 55.803 0.115 0.000 0.927 93 Q CB 1.132 29.973 28.738 0.171 0.000 1.229 93 Q HN 0.807 nan 8.270 nan 0.000 0.433 94 I N 4.119 124.810 120.570 0.201 0.000 2.322 94 I HA 0.150 4.320 4.170 0.000 0.000 0.292 94 I C 0.181 176.498 176.117 0.335 0.000 1.060 94 I CA -0.015 61.392 61.300 0.179 0.000 1.309 94 I CB 0.486 38.456 38.000 -0.051 0.000 1.415 94 I HN 0.731 nan 8.210 nan 0.000 0.492 95 S N 5.213 121.111 115.700 0.330 0.000 3.605 95 S HA 0.599 5.069 4.470 0.000 0.000 0.301 95 S C -0.671 174.114 174.600 0.309 0.000 1.083 95 S CA -0.919 57.519 58.200 0.397 0.000 1.109 95 S CB 1.517 64.911 63.200 0.323 0.000 1.364 95 S HN 0.566 nan 8.310 nan 0.000 0.758 96 Q N -1.097 118.727 119.800 0.040 0.000 2.458 96 Q HA 0.624 4.964 4.340 0.000 0.000 0.282 96 Q C -1.337 174.477 176.000 -0.310 0.000 1.106 96 Q CA -0.712 54.998 55.803 -0.156 0.000 0.814 96 Q CB 2.019 30.639 28.738 -0.196 0.000 1.425 96 Q HN 0.682 nan 8.270 nan 0.000 0.437 97 Y N 0.634 120.702 120.300 -0.386 0.000 2.264 97 Y HA 0.171 4.721 4.550 0.000 0.000 0.090 97 Y C -0.688 175.001 175.900 -0.351 0.000 1.174 97 Y CA -0.279 57.532 58.100 -0.481 0.000 1.723 97 Y CB -0.055 38.019 38.460 -0.644 0.000 1.091 97 Y HN 0.710 nan 8.280 nan 0.000 0.216 98 E N 2.439 122.154 120.200 -0.807 0.000 2.418 98 E HA 0.187 4.537 4.350 0.000 0.000 0.261 98 E C -0.859 175.553 176.600 -0.313 0.000 1.070 98 E CA -0.023 56.045 56.400 -0.554 0.000 0.931 98 E CB 0.276 29.695 29.700 -0.468 0.000 0.954 98 E HN 0.338 nan 8.360 nan 0.000 0.439 99 K N -0.037 120.192 120.400 -0.285 0.000 3.372 99 K HA -0.103 4.218 4.320 0.000 0.000 0.272 99 K C -2.378 174.086 176.600 -0.227 0.000 1.037 99 K CA 0.470 56.605 56.287 -0.252 0.000 0.777 99 K CB -1.437 30.953 32.500 -0.185 0.000 1.347 99 K HN 0.629 nan 8.250 nan 0.000 0.460 100 P HA 0.041 nan 4.420 nan 0.000 0.276 100 P C 0.819 178.094 177.300 -0.041 0.000 1.261 100 P CA -0.610 62.426 63.100 -0.105 0.000 0.800 100 P CB 0.750 32.431 31.700 -0.032 0.000 1.066 101 L N 0.467 121.709 121.223 0.030 0.000 2.093 101 L HA 0.157 4.498 4.340 0.000 0.000 0.208 101 L C 0.670 177.649 176.870 0.182 0.000 1.085 101 L CA 1.865 56.744 54.840 0.066 0.000 0.755 101 L CB -0.795 41.278 42.059 0.023 0.000 0.904 101 L HN 0.535 nan 8.230 nan 0.000 0.435 102 A N -2.263 120.657 122.820 0.167 0.000 2.539 102 A HA 0.749 5.069 4.320 0.000 0.000 0.296 102 A C -0.569 177.098 177.584 0.137 0.000 1.073 102 A CA -0.287 51.825 52.037 0.124 0.000 0.700 102 A CB 1.434 20.435 19.000 0.002 0.000 1.296 102 A HN 0.043 nan 8.150 nan 0.000 0.405 103 T N 0.153 114.774 114.554 0.112 0.000 2.821 103 T HA 0.520 4.870 4.350 0.000 0.000 0.306 103 T C -0.786 173.957 174.700 0.071 0.000 1.313 103 T CA -0.145 62.035 62.100 0.132 0.000 1.012 103 T CB 0.936 69.974 68.868 0.284 0.000 1.298 103 T HN 1.083 nan 8.240 nan 0.000 0.502 104 N N 0.323 119.073 118.700 0.083 0.000 2.681 104 N HA -0.117 4.623 4.740 0.000 0.000 0.259 104 N C -0.069 175.535 175.510 0.156 0.000 1.066 104 N CA 0.669 53.786 53.050 0.111 0.000 0.717 104 N CB -0.628 37.922 38.487 0.105 0.000 0.885 104 N HN 0.789 nan 8.380 nan 0.000 0.547 105 G N -0.449 108.430 108.800 0.131 0.000 3.016 105 G HA2 0.813 4.773 3.960 0.000 0.000 0.270 105 G HA3 0.813 4.773 3.960 0.000 0.000 0.270 105 G C -1.035 174.042 174.900 0.294 0.000 1.352 105 G CA -0.484 44.665 45.100 0.081 0.000 1.060 105 G HN 0.432 nan 8.290 nan 0.000 0.538 106 W N -1.737 119.568 121.300 0.009 0.000 3.363 106 W HA 0.636 5.296 4.660 0.000 0.000 0.306 106 W C -1.868 174.672 176.519 0.035 0.000 1.253 106 W CA -1.296 56.064 57.345 0.024 0.000 1.195 106 W CB 0.964 30.427 29.460 0.006 0.000 1.366 106 W HN 0.388 nan 8.180 nan 0.000 0.551 107 V N 2.245 122.320 119.914 0.267 0.000 2.513 107 V HA 0.364 4.484 4.120 0.000 0.000 0.299 107 V C -0.352 175.885 176.094 0.238 0.000 1.035 107 V CA -0.863 61.543 62.300 0.175 0.000 0.889 107 V CB 1.535 33.481 31.823 0.205 0.000 0.988 107 V HN 0.672 nan 8.190 nan 0.000 0.440 108 E N 3.236 123.529 120.200 0.155 0.000 2.146 108 E HA 0.413 4.763 4.350 0.000 0.000 0.282 108 E C -1.477 175.138 176.600 0.025 0.000 0.989 108 E CA -0.748 55.718 56.400 0.109 0.000 0.799 108 E CB 1.148 30.905 29.700 0.096 0.000 1.088 108 E HN 0.398 nan 8.360 nan 0.000 0.397 109 L N 4.850 126.094 121.223 0.035 0.000 2.275 109 L HA 0.259 4.599 4.340 0.000 0.000 0.288 109 L C -0.037 176.811 176.870 -0.036 0.000 1.046 109 L CA -0.193 54.647 54.840 0.000 0.000 0.805 109 L CB 1.150 43.232 42.059 0.038 0.000 1.193 109 L HN 0.503 nan 8.230 nan 0.000 0.426 110 N N 5.318 123.974 118.700 -0.074 0.000 2.439 110 N HA 0.333 5.074 4.740 0.000 0.000 0.249 110 N C -0.685 174.791 175.510 -0.055 0.000 1.003 110 N CA -0.451 52.548 53.050 -0.085 0.000 0.942 110 N CB 1.410 39.806 38.487 -0.151 0.000 1.115 110 N HN 0.418 nan 8.380 nan 0.000 0.505 111 L N 2.925 124.126 121.223 -0.036 0.000 2.421 111 L HA 0.302 4.642 4.340 0.000 0.000 0.263 111 L C -1.186 175.674 176.870 -0.016 0.000 1.122 111 L CA -1.599 53.228 54.840 -0.021 0.000 0.804 111 L CB 0.573 42.624 42.059 -0.015 0.000 1.150 111 L HN 0.294 nan 8.230 nan 0.000 0.457 112 P HA -0.019 nan 4.420 nan 0.000 0.245 112 P C 0.269 177.571 177.300 0.004 0.000 1.212 112 P CA 0.469 63.570 63.100 0.001 0.000 0.774 112 P CB -0.017 31.685 31.700 0.004 0.000 0.999 113 N N -0.584 118.116 118.700 -0.001 0.000 2.238 113 N HA 0.103 4.843 4.740 0.000 0.000 0.222 113 N C 1.065 176.575 175.510 0.000 0.000 1.133 113 N CA 0.413 53.464 53.050 0.000 0.000 0.854 113 N CB 0.001 38.487 38.487 -0.002 0.000 1.041 113 N HN 0.120 nan 8.380 nan 0.000 0.510 114 G N 0.469 109.269 108.800 0.000 0.000 2.258 114 G HA2 -0.264 3.696 3.960 0.000 0.000 0.233 114 G HA3 -0.264 3.696 3.960 0.000 0.000 0.233 114 G C -0.224 174.672 174.900 -0.007 0.000 1.006 114 G CA -0.093 45.008 45.100 0.002 0.000 0.620 114 G HN 0.477 nan 8.290 nan 0.000 0.511 115 E N 1.023 121.216 120.200 -0.011 0.000 2.331 115 E HA 0.513 4.863 4.350 0.000 0.000 0.272 115 E C 0.006 176.593 176.600 -0.022 0.000 1.036 115 E CA -0.244 56.146 56.400 -0.015 0.000 0.864 115 E CB 0.770 30.461 29.700 -0.014 0.000 1.035 115 E HN 0.294 nan 8.360 nan 0.000 0.408 116 K N 2.526 122.911 120.400 -0.024 0.000 2.156 116 K HA 0.306 4.627 4.320 0.000 0.000 0.271 116 K C -0.341 176.248 176.600 -0.019 0.000 0.995 116 K CA -0.498 55.772 56.287 -0.027 0.000 0.890 116 K CB 1.457 33.939 32.500 -0.031 0.000 1.073 116 K HN 0.252 nan 8.250 nan 0.000 0.454 117 K N 2.066 122.461 120.400 -0.009 0.000 2.395 117 K HA 0.373 4.693 4.320 0.000 0.000 0.247 117 K C -1.265 175.349 176.600 0.022 0.000 0.973 117 K CA -0.836 55.450 56.287 -0.002 0.000 0.828 117 K CB 1.543 34.043 32.500 -0.000 0.000 1.272 117 K HN 0.288 nan 8.250 nan 0.000 0.439 118 K N 1.594 122.005 120.400 0.018 0.000 2.292 118 K HA 0.424 4.745 4.320 0.000 0.000 0.257 118 K C -1.481 175.158 176.600 0.065 0.000 0.940 118 K CA -0.844 55.478 56.287 0.059 0.000 0.811 118 K CB 2.137 34.636 32.500 -0.002 0.000 1.120 118 K HN 0.281 nan 8.250 nan 0.000 0.428 119 V N 3.705 123.694 119.914 0.125 0.000 2.448 119 V HA 0.403 4.523 4.120 0.000 0.000 0.295 119 V C -0.139 176.034 176.094 0.132 0.000 1.025 119 V CA -0.968 61.368 62.300 0.061 0.000 0.859 119 V CB 1.519 33.311 31.823 -0.051 0.000 0.988 119 V HN 0.687 nan 8.190 nan 0.000 0.431 120 R N 4.048 124.594 120.500 0.077 0.000 2.340 120 R HA 0.418 4.758 4.340 0.000 0.000 0.300 120 R C -0.631 175.717 176.300 0.081 0.000 1.069 120 R CA -0.598 55.579 56.100 0.128 0.000 0.984 120 R CB 0.742 31.094 30.300 0.087 0.000 1.003 120 R HN 0.489 nan 8.270 nan 0.000 0.459 121 I N 4.328 124.969 120.570 0.119 0.000 2.379 121 I HA 0.030 4.200 4.170 0.000 0.000 0.290 121 I C 1.693 177.843 176.117 0.054 0.000 1.063 121 I CA 0.289 61.633 61.300 0.072 0.000 1.351 121 I CB 0.886 38.920 38.000 0.056 0.000 1.410 121 I HN 0.668 nan 8.210 nan 0.000 0.505 122 R N 6.190 126.706 120.500 0.027 0.000 2.115 122 R HA 0.025 4.365 4.340 0.000 0.000 0.226 122 R C 0.589 176.909 176.300 0.033 0.000 1.100 122 R CA 0.935 57.049 56.100 0.023 0.000 0.980 122 R CB 0.452 30.752 30.300 -0.001 0.000 0.875 122 R HN 0.738 nan 8.270 nan 0.000 0.445 123 R N -0.398 120.121 120.500 0.032 0.000 2.725 123 R HA 0.189 4.529 4.340 0.000 0.000 0.254 123 R C -2.321 173.992 176.300 0.020 0.000 1.076 123 R CA -0.652 55.478 56.100 0.050 0.000 0.940 123 R CB 0.726 31.074 30.300 0.081 0.000 1.260 123 R HN 0.146 nan 8.270 nan 0.000 0.466 124 L N 5.497 126.736 121.223 0.028 0.000 2.372 124 L HA 0.531 4.871 4.340 0.000 0.000 0.273 124 L C -0.752 176.142 176.870 0.039 0.000 0.989 124 L CA -0.581 54.245 54.840 -0.023 0.000 0.841 124 L CB 1.011 43.051 42.059 -0.031 0.000 1.225 124 L HN 0.820 nan 8.230 nan 0.000 0.414 125 H N 3.989 123.064 119.070 0.008 0.000 2.651 125 H HA 0.538 5.094 4.556 0.000 0.000 0.353 125 H C -0.798 174.567 175.328 0.061 0.000 1.178 125 H CA -1.134 54.926 56.048 0.020 0.000 1.224 125 H CB 1.776 31.549 29.762 0.017 0.000 1.702 125 H HN 0.439 nan 8.280 nan 0.000 0.550 126 I N 1.354 122.072 120.570 0.247 0.000 2.428 126 I HA 0.197 4.367 4.170 0.000 0.000 0.289 126 I C 0.163 176.537 176.117 0.429 0.000 1.019 126 I CA -0.007 61.455 61.300 0.269 0.000 1.351 126 I CB 1.104 39.293 38.000 0.316 0.000 1.412 126 I HN 0.767 nan 8.210 nan 0.000 0.513 127 E N 4.739 125.136 120.200 0.329 0.000 2.422 127 E HA 0.410 4.760 4.350 0.000 0.000 0.280 127 E C -1.744 174.988 176.600 0.220 0.000 1.091 127 E CA -1.101 55.514 56.400 0.358 0.000 0.849 127 E CB 1.463 31.398 29.700 0.391 0.000 1.353 127 E HN 0.639 nan 8.360 nan 0.000 0.449 128 E N 1.058 121.403 120.200 0.241 0.000 2.221 128 E HA 0.399 4.749 4.350 0.000 0.000 0.268 128 E C -0.944 175.738 176.600 0.136 0.000 0.933 128 E CA -0.896 55.597 56.400 0.155 0.000 0.809 128 E CB 1.584 31.429 29.700 0.243 0.000 1.190 128 E HN 0.394 nan 8.360 nan 0.000 0.406 129 D N 0.568 121.022 120.400 0.091 0.000 2.329 129 D HA 0.354 4.994 4.640 0.000 0.000 0.246 129 D C -0.410 175.932 176.300 0.071 0.000 1.111 129 D CA -0.167 53.877 54.000 0.075 0.000 0.941 129 D CB 1.556 42.394 40.800 0.062 0.000 1.169 129 D HN 0.587 nan 8.370 nan 0.000 0.441 130 A N 1.138 124.000 122.820 0.070 0.000 2.250 130 A HA 0.647 4.967 4.320 0.000 0.000 0.283 130 A C 0.715 178.337 177.584 0.064 0.000 1.206 130 A CA 0.161 52.240 52.037 0.070 0.000 0.840 130 A CB 0.053 19.119 19.000 0.111 0.000 1.220 130 A HN 0.508 nan 8.150 nan 0.000 0.505 131 G N -1.131 107.706 108.800 0.062 0.000 2.531 131 G HA2 0.509 4.469 3.960 0.000 0.000 0.281 131 G HA3 0.509 4.469 3.960 0.000 0.000 0.281 131 G C -0.393 174.552 174.900 0.077 0.000 1.382 131 G CA -0.497 44.635 45.100 0.054 0.000 1.045 131 G HN 0.752 nan 8.290 nan 0.000 0.533 132 K N -0.233 120.203 120.400 0.061 0.000 2.324 132 K HA 0.318 4.638 4.320 0.000 0.000 0.253 132 K C -1.098 175.533 176.600 0.052 0.000 0.932 132 K CA -0.730 55.603 56.287 0.077 0.000 0.799 132 K CB 1.048 33.593 32.500 0.076 0.000 1.154 132 K HN 0.382 nan 8.250 nan 0.000 0.425 133 N N 2.875 121.620 118.700 0.075 0.000 2.456 133 N HA 0.372 5.112 4.740 0.000 0.000 0.288 133 N C -0.941 174.589 175.510 0.034 0.000 1.059 133 N CA -0.340 52.703 53.050 -0.013 0.000 0.946 133 N CB 0.934 39.380 38.487 -0.069 0.000 1.150 133 N HN 0.381 nan 8.380 nan 0.000 0.479 134 I N 1.946 122.490 120.570 -0.042 0.000 2.441 134 I HA 0.224 4.394 4.170 0.000 0.000 0.295 134 I C -0.381 175.716 176.117 -0.033 0.000 0.994 134 I CA -0.551 60.790 61.300 0.068 0.000 1.144 134 I CB 1.032 39.054 38.000 0.037 0.000 1.314 134 I HN 0.380 nan 8.210 nan 0.000 0.445 135 H N 4.107 123.185 119.070 0.013 0.000 2.457 135 H HA 0.616 5.172 4.556 0.000 0.000 0.335 135 H C -0.696 174.634 175.328 0.003 0.000 1.115 135 H CA -0.840 55.213 56.048 0.008 0.000 1.219 135 H CB 1.230 31.000 29.762 0.014 0.000 1.471 135 H HN 0.460 nan 8.280 nan 0.000 0.491 136 E N 2.538 122.791 120.200 0.089 0.000 2.649 136 E HA 0.389 4.739 4.350 0.000 0.000 0.310 136 E C 0.141 176.759 176.600 0.031 0.000 1.036 136 E CA 0.131 56.559 56.400 0.046 0.000 0.772 136 E CB 0.192 29.903 29.700 0.020 0.000 1.513 136 E HN 0.966 nan 8.360 nan 0.000 0.384 137 G N 4.106 112.927 108.800 0.036 0.000 2.527 137 G HA2 -0.323 3.637 3.960 0.000 0.000 0.262 137 G HA3 -0.323 3.637 3.960 0.000 0.000 0.262 137 G C 0.318 175.233 174.900 0.026 0.000 1.153 137 G CA 0.295 45.409 45.100 0.023 0.000 0.954 137 G HN 0.646 nan 8.290 nan 0.000 0.552 138 D N 1.372 121.780 120.400 0.013 0.000 2.342 138 D HA 0.277 4.917 4.640 0.000 0.000 0.221 138 D C 0.688 176.988 176.300 0.000 0.000 1.101 138 D CA 0.522 54.529 54.000 0.011 0.000 0.837 138 D CB 0.196 40.998 40.800 0.004 0.000 0.938 138 D HN 0.619 nan 8.370 nan 0.000 0.508 139 K N -0.621 119.775 120.400 -0.006 0.000 2.328 139 K HA 0.527 4.847 4.320 0.000 0.000 0.246 139 K C -0.826 175.734 176.600 -0.066 0.000 0.955 139 K CA -0.699 55.568 56.287 -0.034 0.000 0.817 139 K CB 2.203 34.683 32.500 -0.034 0.000 1.208 139 K HN -0.203 nan 8.250 nan 0.000 0.432 140 T N 2.043 116.521 114.554 -0.126 0.000 2.794 140 T HA 0.410 4.760 4.350 0.000 0.000 0.280 140 T C -0.882 173.715 174.700 -0.171 0.000 0.987 140 T CA -0.681 61.275 62.100 -0.241 0.000 0.993 140 T CB 0.600 69.259 68.868 -0.348 0.000 0.939 140 T HN 0.118 nan 8.240 nan 0.000 0.449 141 L N 3.713 124.841 121.223 -0.157 0.000 2.282 141 L HA 0.529 4.869 4.340 0.000 0.000 0.288 141 L C -0.390 176.423 176.870 -0.095 0.000 1.033 141 L CA -0.430 54.352 54.840 -0.097 0.000 0.807 141 L CB 1.629 43.652 42.059 -0.060 0.000 1.209 141 L HN 0.410 nan 8.230 nan 0.000 0.423 142 V N 2.331 122.200 119.914 -0.075 0.000 2.334 142 V HA 0.353 4.473 4.120 0.000 0.000 0.281 142 V C -0.604 175.468 176.094 -0.038 0.000 1.016 142 V CA -0.718 61.546 62.300 -0.060 0.000 0.832 142 V CB 1.519 33.301 31.823 -0.068 0.000 0.999 142 V HN 0.648 nan 8.190 nan 0.000 0.439 143 D N 4.593 124.978 120.400 -0.025 0.000 2.329 143 D HA 0.369 5.009 4.640 0.000 0.000 0.232 143 D C 0.249 176.544 176.300 -0.008 0.000 1.088 143 D CA -0.301 53.688 54.000 -0.020 0.000 0.835 143 D CB 1.672 42.458 40.800 -0.022 0.000 1.078 143 D HN 0.441 nan 8.370 nan 0.000 0.495 144 L N 3.873 125.090 121.223 -0.011 0.000 2.848 144 L HA 0.196 4.536 4.340 0.000 0.000 0.240 144 L C 1.453 178.323 176.870 0.000 0.000 1.232 144 L CA -0.312 54.526 54.840 -0.004 0.000 1.031 144 L CB -0.230 41.822 42.059 -0.012 0.000 1.338 144 L HN 0.297 nan 8.230 nan 0.000 0.509 145 N N 0.987 119.685 118.700 -0.002 0.000 2.272 145 N HA -0.188 4.552 4.740 0.000 0.000 0.185 145 N C 1.888 177.408 175.510 0.016 0.000 1.014 145 N CA 1.129 54.179 53.050 0.001 0.000 0.870 145 N CB 0.021 38.502 38.487 -0.011 0.000 0.975 145 N HN 0.390 nan 8.380 nan 0.000 0.433 146 R N 0.542 121.058 120.500 0.026 0.000 2.189 146 R HA 0.273 4.613 4.340 0.000 0.000 0.203 146 R C 0.229 176.554 176.300 0.041 0.000 1.012 146 R CA 0.088 56.215 56.100 0.044 0.000 1.015 146 R CB 0.057 30.394 30.300 0.062 0.000 0.938 146 R HN 0.021 nan 8.270 nan 0.000 0.472 147 A N 0.776 123.615 122.820 0.033 0.000 2.583 147 A HA 0.289 4.610 4.320 0.000 0.000 0.249 147 A C 1.033 178.638 177.584 0.035 0.000 1.035 147 A CA 1.013 53.068 52.037 0.029 0.000 0.777 147 A CB -0.720 18.286 19.000 0.010 0.000 0.942 147 A HN 0.715 nan 8.150 nan 0.000 0.516 148 G N 2.467 111.299 108.800 0.054 0.000 2.141 148 G HA2 -0.189 3.772 3.960 0.000 0.000 0.242 148 G HA3 -0.189 3.772 3.960 0.000 0.000 0.242 148 G C 0.322 175.232 174.900 0.016 0.000 0.982 148 G CA 0.411 45.552 45.100 0.069 0.000 0.662 148 G HN 1.234 nan 8.290 nan 0.000 0.527 149 T N 2.910 117.477 114.554 0.022 0.000 2.869 149 T HA 0.504 4.854 4.350 0.000 0.000 0.295 149 T C -2.195 172.504 174.700 -0.002 0.000 0.987 149 T CA -0.707 61.397 62.100 0.007 0.000 1.109 149 T CB 1.800 70.688 68.868 0.035 0.000 0.932 149 T HN 0.108 nan 8.240 nan 0.000 0.518 150 P HA 0.293 nan 4.420 nan 0.000 0.271 150 P C -0.828 176.490 177.300 0.029 0.000 1.220 150 P CA -0.122 62.954 63.100 -0.039 0.000 0.768 150 P CB 0.383 32.038 31.700 -0.076 0.000 0.848 151 L N 3.124 124.384 121.223 0.063 0.000 2.370 151 L HA 0.551 4.891 4.340 0.000 0.000 0.266 151 L C 0.315 177.233 176.870 0.079 0.000 1.002 151 L CA -0.940 53.956 54.840 0.095 0.000 0.818 151 L CB 1.881 44.029 42.059 0.147 0.000 1.325 151 L HN 0.187 nan 8.230 nan 0.000 0.418 152 M N 2.117 121.745 119.600 0.048 0.000 2.088 152 M HA 0.289 4.770 4.480 0.000 0.000 0.346 152 M C -0.237 176.003 176.300 -0.099 0.000 1.111 152 M CA -0.165 55.125 55.300 -0.017 0.000 1.017 152 M CB 1.445 34.037 32.600 -0.013 0.000 1.568 152 M HN 0.482 nan 8.290 nan 0.000 0.445 153 E N 4.411 124.449 120.200 -0.272 0.000 2.229 153 E HA 0.399 4.749 4.350 0.000 0.000 0.283 153 E C -1.331 175.024 176.600 -0.409 0.000 1.030 153 E CA -0.254 55.857 56.400 -0.482 0.000 0.836 153 E CB 0.872 30.159 29.700 -0.689 0.000 1.068 153 E HN 0.621 nan 8.360 nan 0.000 0.401 154 I N 5.191 125.581 120.570 -0.300 0.000 2.410 154 I HA 0.276 4.447 4.170 0.000 0.000 0.286 154 I C -0.779 175.274 176.117 -0.105 0.000 1.009 154 I CA -0.962 60.252 61.300 -0.144 0.000 1.111 154 I CB 1.684 39.648 38.000 -0.060 0.000 1.262 154 I HN 0.278 nan 8.210 nan 0.000 0.443 155 V N 4.673 124.550 119.914 -0.063 0.000 2.628 155 V HA 0.490 4.610 4.120 0.000 0.000 0.306 155 V C 0.145 176.221 176.094 -0.032 0.000 1.045 155 V CA -0.424 61.850 62.300 -0.044 0.000 0.905 155 V CB 2.193 34.004 31.823 -0.022 0.000 0.997 155 V HN 0.682 nan 8.190 nan 0.000 0.436 156 T N 2.867 117.379 114.554 -0.069 0.000 2.888 156 T HA 0.382 4.732 4.350 0.000 0.000 0.284 156 T C -0.250 174.390 174.700 -0.099 0.000 1.017 156 T CA -0.485 61.543 62.100 -0.121 0.000 1.022 156 T CB 1.353 70.050 68.868 -0.285 0.000 1.013 156 T HN 0.665 nan 8.240 nan 0.000 0.465 157 E N 2.937 123.089 120.200 -0.080 0.000 2.392 157 E HA 0.170 4.520 4.350 0.000 0.000 0.256 157 E C -2.039 174.514 176.600 -0.078 0.000 1.145 157 E CA -2.130 54.232 56.400 -0.063 0.000 0.929 157 E CB 0.402 30.087 29.700 -0.025 0.000 0.998 157 E HN 0.306 nan 8.360 nan 0.000 0.442 158 P HA 0.135 nan 4.420 nan 0.000 0.226 158 P C -0.450 176.858 177.300 0.014 0.000 1.783 158 P CA 0.083 63.172 63.100 -0.020 0.000 0.980 158 P CB -0.031 31.681 31.700 0.020 0.000 1.967 159 D N -0.145 120.229 120.400 -0.043 0.000 2.346 159 D HA 0.087 4.727 4.640 0.000 0.000 0.206 159 D C 1.027 177.296 176.300 -0.052 0.000 1.001 159 D CA 0.341 54.322 54.000 -0.033 0.000 0.871 159 D CB 0.136 40.910 40.800 -0.042 0.000 0.943 159 D HN 0.327 nan 8.370 nan 0.000 0.518 160 I N 1.174 121.688 120.570 -0.093 0.000 2.529 160 I HA 0.072 4.242 4.170 0.000 0.000 0.284 160 I C 1.507 177.597 176.117 -0.045 0.000 1.082 160 I CA -0.046 61.201 61.300 -0.088 0.000 1.406 160 I CB 1.059 38.974 38.000 -0.141 0.000 1.405 160 I HN -0.279 nan 8.210 nan 0.000 0.548 161 R N 2.400 122.881 120.500 -0.031 0.000 2.394 161 R HA 0.278 4.618 4.340 0.000 0.000 0.220 161 R C -0.067 176.225 176.300 -0.014 0.000 0.887 161 R CA 0.253 56.343 56.100 -0.017 0.000 1.034 161 R CB 0.799 31.090 30.300 -0.014 0.000 1.179 161 R HN 0.565 nan 8.270 nan 0.000 0.561 162 T N 0.326 114.869 114.554 -0.017 0.000 2.956 162 T HA 0.306 4.656 4.350 0.000 0.000 0.312 162 T C -2.331 172.361 174.700 -0.013 0.000 1.151 162 T CA -1.589 60.504 62.100 -0.012 0.000 1.024 162 T CB 2.263 71.127 68.868 -0.007 0.000 1.140 162 T HN -0.241 nan 8.240 nan 0.000 0.473 163 P HA -0.097 nan 4.420 nan 0.000 0.216 163 P C 1.243 178.540 177.300 -0.006 0.000 1.150 163 P CA 0.972 64.066 63.100 -0.011 0.000 0.843 163 P CB 0.332 32.028 31.700 -0.006 0.000 0.787 164 E N -0.317 119.881 120.200 -0.003 0.000 2.106 164 E HA -0.202 4.149 4.350 0.000 0.000 0.192 164 E C 1.899 178.496 176.600 -0.004 0.000 0.984 164 E CA 0.948 57.347 56.400 -0.002 0.000 0.806 164 E CB -0.115 29.585 29.700 0.000 0.000 0.750 164 E HN 0.299 nan 8.360 nan 0.000 0.458 165 E N 0.086 120.285 120.200 -0.002 0.000 2.077 165 E HA -0.197 4.153 4.350 0.000 0.000 0.193 165 E C 1.986 178.603 176.600 0.027 0.000 0.989 165 E CA 0.931 57.336 56.400 0.008 0.000 0.800 165 E CB -0.104 29.596 29.700 -0.001 0.000 0.746 165 E HN 0.271 nan 8.360 nan 0.000 0.452 166 A N 1.525 124.349 122.820 0.005 0.000 1.873 166 A HA -0.289 4.031 4.320 0.000 0.000 0.218 166 A C 2.112 179.707 177.584 0.018 0.000 1.193 166 A CA 1.988 54.033 52.037 0.013 0.000 0.629 166 A CB -0.597 18.395 19.000 -0.013 0.000 0.826 166 A HN 0.150 nan 8.150 nan 0.000 0.447 167 R N -0.576 119.909 120.500 -0.024 0.000 2.075 167 R HA -0.007 4.333 4.340 0.000 0.000 0.232 167 R C 2.033 178.240 176.300 -0.155 0.000 1.126 167 R CA 1.400 57.445 56.100 -0.091 0.000 0.963 167 R CB -0.389 29.896 30.300 -0.025 0.000 0.858 167 R HN 0.495 nan 8.270 nan 0.000 0.435 168 L N 0.283 121.464 121.223 -0.070 0.000 2.131 168 L HA -0.169 4.171 4.340 0.000 0.000 0.210 168 L C 2.287 179.098 176.870 -0.098 0.000 1.092 168 L CA 1.127 55.920 54.840 -0.078 0.000 0.759 168 L CB -0.442 41.597 42.059 -0.032 0.000 0.903 168 L HN 0.210 nan 8.230 nan 0.000 0.435 169 F N 0.535 120.385 119.950 -0.167 0.000 2.051 169 F HA -0.258 4.269 4.527 0.000 0.000 0.296 169 F C 2.184 177.840 175.800 -0.241 0.000 1.122 169 F CA 1.674 59.575 58.000 -0.164 0.000 1.201 169 F CB -0.331 38.595 39.000 -0.123 0.000 0.978 169 F HN -0.144 nan 8.300 nan 0.000 0.472 170 L N 0.123 121.130 121.223 -0.359 0.000 2.081 170 L HA -0.263 4.077 4.340 0.000 0.000 0.212 170 L C 2.420 178.764 176.870 -0.878 0.000 1.080 170 L CA 1.913 56.332 54.840 -0.701 0.000 0.754 170 L CB -0.786 40.696 42.059 -0.963 0.000 0.893 170 L HN 0.236 nan 8.230 nan 0.000 0.433 171 E N -0.340 119.430 120.200 -0.717 0.000 2.106 171 E HA -0.251 4.099 4.350 0.000 0.000 0.192 171 E C 2.098 178.547 176.600 -0.252 0.000 0.984 171 E CA 1.057 57.225 56.400 -0.386 0.000 0.806 171 E CB 0.098 29.677 29.700 -0.202 0.000 0.750 171 E HN 0.174 nan 8.360 nan 0.000 0.458 172 K N 0.805 121.011 120.400 -0.323 0.000 2.076 172 K HA -0.101 4.219 4.320 0.000 0.000 0.204 172 K C 1.921 178.320 176.600 -0.336 0.000 1.051 172 K CA 0.525 56.639 56.287 -0.288 0.000 0.949 172 K CB -0.423 31.916 32.500 -0.269 0.000 0.726 172 K HN 0.017 nan 8.250 nan 0.000 0.443 173 L N 1.693 122.596 121.223 -0.534 0.000 1.978 173 L HA -0.200 4.140 4.340 0.000 0.000 0.218 173 L C 2.361 179.099 176.870 -0.220 0.000 1.075 173 L CA 2.153 56.719 54.840 -0.456 0.000 0.767 173 L CB -0.859 40.831 42.059 -0.615 0.000 0.890 173 L HN 0.298 nan 8.230 nan 0.000 0.434 174 R N -0.772 119.636 120.500 -0.154 0.000 2.113 174 R HA -0.263 4.077 4.340 0.000 0.000 0.244 174 R C 2.233 178.546 176.300 0.020 0.000 1.142 174 R CA 2.097 58.204 56.100 0.012 0.000 0.953 174 R CB -0.485 29.923 30.300 0.179 0.000 0.860 174 R HN 0.501 nan 8.270 nan 0.000 0.438 175 N N 0.343 119.043 118.700 0.000 0.000 2.188 175 N HA -0.073 4.667 4.740 0.000 0.000 0.184 175 N C 1.727 177.300 175.510 0.105 0.000 1.018 175 N CA 1.225 54.329 53.050 0.090 0.000 0.858 175 N CB -0.059 38.455 38.487 0.045 0.000 0.989 175 N HN 0.290 nan 8.380 nan 0.000 0.426 176 I N 0.034 120.574 120.570 -0.049 0.000 2.142 176 I HA -0.264 3.906 4.170 0.000 0.000 0.240 176 I C 2.069 178.181 176.117 -0.008 0.000 1.078 176 I CA 0.775 62.036 61.300 -0.065 0.000 1.343 176 I CB -0.268 37.644 38.000 -0.148 0.000 1.046 176 I HN 0.117 nan 8.210 nan 0.000 0.405 177 M N 0.417 119.997 119.600 -0.033 0.000 2.089 177 M HA -0.248 4.232 4.480 0.000 0.000 0.257 177 M C 2.417 178.713 176.300 -0.008 0.000 1.071 177 M CA 1.896 57.178 55.300 -0.031 0.000 1.096 177 M CB -1.420 31.166 32.600 -0.024 0.000 1.330 177 M HN 0.208 nan 8.290 nan 0.000 0.403 178 R N -1.471 119.053 120.500 0.041 0.000 2.075 178 R HA -0.161 4.179 4.340 0.000 0.000 0.232 178 R C 2.220 178.522 176.300 0.003 0.000 1.126 178 R CA 1.407 57.521 56.100 0.025 0.000 0.963 178 R CB -0.386 29.943 30.300 0.048 0.000 0.858 178 R HN 0.331 nan 8.270 nan 0.000 0.435 179 Y N 0.291 120.556 120.300 -0.057 0.000 2.200 179 Y HA -0.144 4.406 4.550 0.000 0.000 0.290 179 Y C 2.462 178.313 175.900 -0.082 0.000 1.137 179 Y CA 1.265 59.332 58.100 -0.055 0.000 1.163 179 Y CB -0.406 38.026 38.460 -0.046 0.000 0.988 179 Y HN 0.110 nan 8.280 nan 0.000 0.518 180 A N -0.414 122.435 122.820 0.048 0.000 1.940 180 A HA 0.059 4.379 4.320 0.000 0.000 0.219 180 A C 2.086 179.576 177.584 -0.158 0.000 1.176 180 A CA 1.702 53.698 52.037 -0.067 0.000 0.631 180 A CB -1.280 17.658 19.000 -0.104 0.000 0.814 180 A HN 0.765 nan 8.150 nan 0.000 0.446 181 G N -2.154 106.547 108.800 -0.165 0.000 2.140 181 G HA2 -0.159 3.801 3.960 0.000 0.000 0.211 181 G HA3 -0.159 3.801 3.960 0.000 0.000 0.211 181 G C 0.852 175.510 174.900 -0.403 0.000 1.013 181 G CA 0.797 45.763 45.100 -0.224 0.000 0.705 181 G HN 1.623 nan 8.290 nan 0.000 0.508 182 V N -3.500 116.209 119.914 -0.340 0.000 2.949 182 V HA 0.693 4.813 4.120 0.000 0.000 0.245 182 V C 0.945 177.016 176.094 -0.037 0.000 1.086 182 V CA 1.615 63.676 62.300 -0.399 0.000 1.097 182 V CB 0.857 32.532 31.823 -0.248 0.000 0.762 182 V HN 1.542 nan 8.190 nan 0.000 0.470 183 S N -1.204 114.481 115.700 -0.026 0.000 2.570 183 S HA 0.483 4.953 4.470 0.000 0.000 0.270 183 S C 0.041 174.645 174.600 0.008 0.000 1.149 183 S CA -0.682 57.536 58.200 0.029 0.000 0.837 183 S CB 2.082 65.305 63.200 0.039 0.000 1.124 183 S HN 0.119 nan 8.310 nan 0.000 0.465 184 K N 1.598 122.005 120.400 0.012 0.000 2.262 184 K HA 0.312 4.633 4.320 0.000 0.000 0.200 184 K C 1.353 177.952 176.600 -0.001 0.000 1.049 184 K CA 0.987 57.272 56.287 -0.003 0.000 0.979 184 K CB -0.552 31.938 32.500 -0.017 0.000 0.773 184 K HN 1.373 nan 8.250 nan 0.000 0.474 185 A N 1.909 124.734 122.820 0.008 0.000 2.816 185 A HA -0.174 4.146 4.320 0.000 0.000 0.270 185 A C -0.475 177.117 177.584 0.013 0.000 1.413 185 A CA 1.064 53.119 52.037 0.031 0.000 0.866 185 A CB -1.903 17.129 19.000 0.054 0.000 1.032 185 A HN 0.289 nan 8.150 nan 0.000 0.642 186 D N 0.013 120.383 120.400 -0.049 0.000 2.325 186 D HA 0.373 5.014 4.640 0.000 0.000 0.251 186 D C 1.551 177.767 176.300 -0.140 0.000 1.196 186 D CA -0.225 53.702 54.000 -0.121 0.000 0.866 186 D CB 0.671 41.392 40.800 -0.132 0.000 1.101 186 D HN 0.467 nan 8.370 nan 0.000 0.476 187 M N 1.157 120.631 119.600 -0.210 0.000 2.195 187 M HA -0.196 4.284 4.480 0.000 0.000 0.260 187 M C 1.881 178.113 176.300 -0.113 0.000 1.066 187 M CA 1.307 56.517 55.300 -0.150 0.000 1.089 187 M CB -0.081 32.377 32.600 -0.237 0.000 1.377 187 M HN 0.489 nan 8.290 nan 0.000 0.411 188 E N 1.131 121.239 120.200 -0.152 0.000 2.097 188 E HA -0.237 4.113 4.350 0.000 0.000 0.196 188 E C 1.002 177.518 176.600 -0.140 0.000 1.000 188 E CA 1.519 57.849 56.400 -0.117 0.000 0.804 188 E CB 0.086 29.707 29.700 -0.131 0.000 0.740 188 E HN 0.452 nan 8.360 nan 0.000 0.454 189 K N -0.831 119.421 120.400 -0.247 0.000 2.469 189 K HA 0.156 4.476 4.320 0.000 0.000 0.201 189 K C 0.590 177.066 176.600 -0.206 0.000 1.028 189 K CA 0.453 56.462 56.287 -0.463 0.000 1.170 189 K CB 0.642 32.709 32.500 -0.722 0.000 0.874 189 K HN 0.256 nan 8.250 nan 0.000 0.507 190 G N 1.993 110.754 108.800 -0.065 0.000 2.341 190 G HA2 -0.349 3.611 3.960 0.000 0.000 0.292 190 G HA3 -0.349 3.611 3.960 0.000 0.000 0.292 190 G C 0.391 175.303 174.900 0.020 0.000 1.021 190 G CA 0.411 45.521 45.100 0.017 0.000 0.905 190 G HN 0.481 nan 8.290 nan 0.000 0.508 191 Q N -1.452 118.338 119.800 -0.017 0.000 2.482 191 Q HA 0.455 4.795 4.340 0.000 0.000 0.209 191 Q C 0.816 176.844 176.000 0.047 0.000 0.961 191 Q CA 0.511 56.320 55.803 0.010 0.000 0.945 191 Q CB 0.533 29.257 28.738 -0.023 0.000 1.012 191 Q HN 0.656 nan 8.270 nan 0.000 0.515 192 L N 0.359 121.619 121.223 0.062 0.000 2.661 192 L HA 0.393 4.733 4.340 0.000 0.000 0.263 192 L C -1.444 175.504 176.870 0.130 0.000 0.956 192 L CA -0.425 54.481 54.840 0.109 0.000 0.918 192 L CB 1.281 43.420 42.059 0.133 0.000 1.280 192 L HN -0.079 nan 8.230 nan 0.000 0.416 193 R N 2.829 123.426 120.500 0.161 0.000 2.758 193 R HA 0.781 5.121 4.340 0.000 0.000 0.265 193 R C -1.347 175.074 176.300 0.203 0.000 1.016 193 R CA -0.689 55.515 56.100 0.172 0.000 1.040 193 R CB 2.150 32.543 30.300 0.156 0.000 1.152 193 R HN 0.613 nan 8.270 nan 0.000 0.503 194 C N 1.653 121.066 119.300 0.188 0.000 2.705 194 C HA 0.324 4.784 4.460 0.000 0.000 0.369 194 C C -1.597 173.477 174.990 0.139 0.000 1.069 194 C CA -0.713 58.407 59.018 0.169 0.000 1.260 194 C CB 0.488 28.333 27.740 0.176 0.000 1.764 194 C HN 0.761 nan 8.230 nan 0.000 0.469 195 D N 4.853 125.330 120.400 0.129 0.000 2.193 195 D HA 0.580 5.220 4.640 0.000 0.000 0.249 195 D C -0.283 176.053 176.300 0.060 0.000 1.034 195 D CA 0.009 54.066 54.000 0.095 0.000 0.902 195 D CB 1.926 42.789 40.800 0.106 0.000 1.182 195 D HN 0.586 nan 8.370 nan 0.000 0.436 196 I N 1.398 121.992 120.570 0.041 0.000 2.474 196 I HA 0.245 4.415 4.170 0.000 0.000 0.294 196 I C -0.124 175.998 176.117 0.009 0.000 1.005 196 I CA -0.798 60.510 61.300 0.014 0.000 1.113 196 I CB 1.514 39.514 38.000 0.000 0.000 1.289 196 I HN 0.022 nan 8.210 nan 0.000 0.436 197 N N 5.353 124.049 118.700 -0.006 0.000 2.346 197 N HA 0.541 5.281 4.740 0.000 0.000 0.289 197 N C -1.583 173.921 175.510 -0.010 0.000 1.027 197 N CA -0.388 52.659 53.050 -0.004 0.000 0.864 197 N CB 3.292 41.774 38.487 -0.009 0.000 1.370 197 N HN 0.249 nan 8.380 nan 0.000 0.481 198 V N 1.509 121.421 119.914 -0.003 0.000 2.777 198 V HA 0.594 4.714 4.120 0.000 0.000 0.306 198 V C -0.962 175.135 176.094 0.006 0.000 1.112 198 V CA -0.350 61.948 62.300 -0.003 0.000 0.917 198 V CB 1.865 33.677 31.823 -0.017 0.000 1.018 198 V HN 0.848 nan 8.190 nan 0.000 0.426 199 S N 6.678 122.391 115.700 0.022 0.000 2.599 199 S HA 0.840 5.310 4.470 0.000 0.000 0.287 199 S C -0.620 173.994 174.600 0.023 0.000 1.105 199 S CA -0.814 57.406 58.200 0.033 0.000 0.899 199 S CB 2.001 65.252 63.200 0.084 0.000 1.100 199 S HN 1.200 nan 8.310 nan 0.000 0.482 200 I N -1.287 119.287 120.570 0.007 0.000 2.797 200 I HA 0.862 5.032 4.170 0.000 0.000 0.307 200 I C -0.522 175.642 176.117 0.080 0.000 1.033 200 I CA -1.177 60.130 61.300 0.011 0.000 1.071 200 I CB 1.964 39.902 38.000 -0.103 0.000 1.255 200 I HN 0.851 nan 8.210 nan 0.000 0.445 201 R N 3.534 124.130 120.500 0.161 0.000 2.566 201 R HA 0.485 4.825 4.340 0.000 0.000 0.271 201 R C -2.991 173.413 176.300 0.173 0.000 1.071 201 R CA -1.547 54.633 56.100 0.134 0.000 0.915 201 R CB 2.478 32.784 30.300 0.009 0.000 1.228 201 R HN 0.388 nan 8.270 nan 0.000 0.449 202 P HA -0.110 nan 4.420 nan 0.000 0.260 202 P C -0.875 176.353 177.300 -0.121 0.000 1.185 202 P CA 0.164 63.162 63.100 -0.169 0.000 0.763 202 P CB 0.423 32.032 31.700 -0.151 0.000 0.776 203 K N 3.332 123.647 120.400 -0.142 0.000 2.543 203 K HA -0.079 4.242 4.320 0.000 0.000 0.279 203 K C 1.542 178.089 176.600 -0.089 0.000 1.001 203 K CA 1.740 57.973 56.287 -0.090 0.000 1.088 203 K CB -0.576 31.871 32.500 -0.089 0.000 0.863 203 K HN 0.818 nan 8.250 nan 0.000 0.488 204 G N 2.203 110.957 108.800 -0.077 0.000 2.245 204 G HA2 -0.329 3.631 3.960 0.000 0.000 0.264 204 G HA3 -0.329 3.631 3.960 0.000 0.000 0.264 204 G C 0.274 175.119 174.900 -0.091 0.000 0.985 204 G CA 0.838 45.891 45.100 -0.078 0.000 0.625 204 G HN 0.828 nan 8.290 nan 0.000 0.536 205 S N -0.126 115.513 115.700 -0.101 0.000 2.573 205 S HA 0.431 4.902 4.470 0.000 0.000 0.277 205 S C 1.323 175.824 174.600 -0.165 0.000 1.346 205 S CA 1.162 59.294 58.200 -0.114 0.000 1.034 205 S CB 0.970 64.108 63.200 -0.103 0.000 0.879 205 S HN 0.443 nan 8.310 nan 0.000 0.528 206 K N 0.739 121.034 120.400 -0.176 0.000 2.367 206 K HA 0.217 4.537 4.320 0.000 0.000 0.195 206 K C 0.320 176.691 176.600 -0.381 0.000 1.060 206 K CA -0.116 56.023 56.287 -0.246 0.000 1.022 206 K CB 0.211 32.623 32.500 -0.146 0.000 0.894 206 K HN 0.570 nan 8.250 nan 0.000 0.540 207 E N 0.274 120.313 120.200 -0.268 0.000 2.392 207 E HA 0.131 4.481 4.350 0.000 0.000 0.256 207 E C -1.013 175.362 176.600 -0.376 0.000 1.145 207 E CA -0.004 56.267 56.400 -0.215 0.000 0.929 207 E CB 0.395 30.059 29.700 -0.059 0.000 0.998 207 E HN -0.109 nan 8.360 nan 0.000 0.442 208 F N 0.723 120.677 119.950 0.006 0.000 2.436 208 F HA 0.507 5.034 4.527 0.000 0.000 0.340 208 F C 1.042 176.849 175.800 0.012 0.000 1.113 208 F CA -0.437 57.567 58.000 0.007 0.000 1.022 208 F CB 1.839 40.840 39.000 0.003 0.000 1.128 208 F HN 0.452 nan 8.300 nan 0.000 0.466 209 G N 0.711 109.610 108.800 0.165 0.000 2.599 209 G HA2 0.442 4.403 3.960 0.000 0.000 0.264 209 G HA3 0.442 4.403 3.960 0.000 0.000 0.264 209 G C -0.318 174.644 174.900 0.103 0.000 1.200 209 G CA -0.666 44.498 45.100 0.106 0.000 0.896 209 G HN 0.654 nan 8.290 nan 0.000 0.536 210 T N -1.808 112.784 114.554 0.063 0.000 2.926 210 T HA 0.351 4.701 4.350 0.000 0.000 0.307 210 T C 0.314 175.036 174.700 0.036 0.000 1.059 210 T CA -0.420 61.708 62.100 0.047 0.000 1.122 210 T CB 1.248 70.136 68.868 0.033 0.000 0.972 210 T HN 0.598 nan 8.240 nan 0.000 0.545 211 R N 1.311 121.829 120.500 0.030 0.000 2.346 211 R HA 0.597 4.937 4.340 0.000 0.000 0.311 211 R C -1.449 174.862 176.300 0.018 0.000 0.983 211 R CA -0.716 55.397 56.100 0.022 0.000 0.880 211 R CB 1.005 31.314 30.300 0.014 0.000 1.100 211 R HN 0.601 nan 8.270 nan 0.000 0.453 212 V N 3.566 123.488 119.914 0.014 0.000 2.555 212 V HA 0.315 4.436 4.120 0.000 0.000 0.302 212 V C -0.334 175.771 176.094 0.019 0.000 1.038 212 V CA -0.720 61.590 62.300 0.017 0.000 0.887 212 V CB 1.708 33.539 31.823 0.013 0.000 0.991 212 V HN 0.796 nan 8.190 nan 0.000 0.434 213 E N 3.606 123.822 120.200 0.027 0.000 2.179 213 E HA 0.608 4.958 4.350 0.000 0.000 0.275 213 E C -1.445 175.178 176.600 0.039 0.000 0.945 213 E CA -0.635 55.784 56.400 0.031 0.000 0.792 213 E CB 1.595 31.316 29.700 0.036 0.000 1.125 213 E HN 0.592 nan 8.360 nan 0.000 0.397 214 I N 4.206 124.798 120.570 0.037 0.000 2.389 214 I HA 0.335 4.505 4.170 0.000 0.000 0.288 214 I C 0.111 176.263 176.117 0.057 0.000 0.999 214 I CA -0.669 60.659 61.300 0.048 0.000 1.129 214 I CB 1.365 39.383 38.000 0.030 0.000 1.288 214 I HN 0.169 nan 8.210 nan 0.000 0.444 215 K N 4.001 124.444 120.400 0.071 0.000 2.166 215 K HA 0.436 4.756 4.320 0.000 0.000 0.245 215 K C -0.325 176.328 176.600 0.088 0.000 0.967 215 K CA -1.023 55.307 56.287 0.073 0.000 0.863 215 K CB 1.232 33.766 32.500 0.058 0.000 1.107 215 K HN 0.511 nan 8.250 nan 0.000 0.436 216 N N -0.075 118.677 118.700 0.087 0.000 2.642 216 N HA -0.169 4.571 4.740 0.000 0.000 0.269 216 N C -1.295 174.288 175.510 0.123 0.000 1.073 216 N CA 0.308 53.415 53.050 0.095 0.000 0.748 216 N CB -1.012 37.520 38.487 0.075 0.000 0.894 216 N HN 0.173 nan 8.380 nan 0.000 0.548 217 V N 0.517 120.515 119.914 0.140 0.000 2.370 217 V HA 0.273 4.393 4.120 0.000 0.000 0.279 217 V C 0.941 177.166 176.094 0.219 0.000 1.029 217 V CA -0.595 61.816 62.300 0.185 0.000 0.870 217 V CB 1.883 33.770 31.823 0.106 0.000 0.984 217 V HN 0.393 nan 8.190 nan 0.000 0.451 218 N N 1.782 120.656 118.700 0.290 0.000 2.254 218 N HA 0.078 4.818 4.740 0.000 0.000 0.190 218 N C 0.343 176.011 175.510 0.264 0.000 1.107 218 N CA 0.244 53.451 53.050 0.263 0.000 0.869 218 N CB 0.563 39.184 38.487 0.224 0.000 0.983 218 N HN 0.789 nan 8.380 nan 0.000 0.487 219 S N -1.619 114.293 115.700 0.354 0.000 2.588 219 S HA 0.387 4.857 4.470 0.000 0.000 0.275 219 S C 0.230 174.930 174.600 0.167 0.000 1.130 219 S CA -0.712 57.527 58.200 0.065 0.000 0.855 219 S CB 0.533 63.618 63.200 -0.193 0.000 1.116 219 S HN -0.148 nan 8.310 nan 0.000 0.472 220 F N 1.576 121.519 119.950 -0.012 0.000 2.126 220 F HA 0.009 4.536 4.527 0.000 0.000 0.299 220 F C 2.698 178.477 175.800 -0.036 0.000 1.096 220 F CA 1.085 59.077 58.000 -0.014 0.000 1.255 220 F CB -0.974 38.006 39.000 -0.032 0.000 0.997 220 F HN 0.529 nan 8.300 nan 0.000 0.479 221 R N -0.256 120.286 120.500 0.069 0.000 2.091 221 R HA -0.167 4.174 4.340 0.000 0.000 0.238 221 R C 2.210 178.526 176.300 0.027 0.000 1.136 221 R CA 1.170 57.245 56.100 -0.041 0.000 0.959 221 R CB -1.456 28.715 30.300 -0.213 0.000 0.856 221 R HN 0.225 nan 8.270 nan 0.000 0.437 222 F N 0.675 120.686 119.950 0.101 0.000 2.216 222 F HA -0.161 4.366 4.527 0.000 0.000 0.300 222 F C 2.454 178.150 175.800 -0.174 0.000 1.085 222 F CA 1.080 59.133 58.000 0.089 0.000 1.326 222 F CB -1.204 37.939 39.000 0.239 0.000 1.027 222 F HN -0.112 nan 8.300 nan 0.000 0.497 223 V N -1.395 118.582 119.914 0.104 0.000 2.427 223 V HA -0.269 3.851 4.120 0.000 0.000 0.248 223 V C 2.132 178.186 176.094 -0.066 0.000 1.051 223 V CA 1.887 64.174 62.300 -0.022 0.000 1.048 223 V CB -1.260 30.601 31.823 0.063 0.000 0.666 223 V HN 0.394 nan 8.190 nan 0.000 0.456 224 Q N 0.095 119.893 119.800 -0.005 0.000 2.061 224 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 224 Q C 2.379 178.366 176.000 -0.022 0.000 0.984 224 Q CA 2.011 57.810 55.803 -0.006 0.000 0.846 224 Q CB -0.101 28.650 28.738 0.022 0.000 0.902 224 Q HN 0.538 nan 8.270 nan 0.000 0.421 225 K N 0.065 120.459 120.400 -0.010 0.000 2.025 225 K HA -0.076 4.244 4.320 0.000 0.000 0.207 225 K C 2.053 178.579 176.600 -0.123 0.000 1.049 225 K CA 1.163 57.472 56.287 0.037 0.000 0.933 225 K CB -0.640 32.020 32.500 0.266 0.000 0.714 225 K HN 0.327 nan 8.250 nan 0.000 0.438 226 A N 1.695 124.127 122.820 -0.647 0.000 1.892 226 A HA -0.173 4.147 4.320 0.000 0.000 0.218 226 A C 2.403 179.874 177.584 -0.189 0.000 1.188 226 A CA 1.476 53.057 52.037 -0.759 0.000 0.631 226 A CB -0.800 17.554 19.000 -1.075 0.000 0.822 226 A HN 0.201 nan 8.150 nan 0.000 0.447 227 L N -0.919 120.212 121.223 -0.153 0.000 1.994 227 L HA -0.236 4.104 4.340 0.000 0.000 0.208 227 L C 2.726 179.581 176.870 -0.024 0.000 1.071 227 L CA 1.860 56.661 54.840 -0.066 0.000 0.745 227 L CB -0.602 41.424 42.059 -0.056 0.000 0.892 227 L HN 0.514 nan 8.230 nan 0.000 0.431 228 E N -0.904 119.297 120.200 0.002 0.000 2.086 228 E HA -0.326 4.024 4.350 0.000 0.000 0.200 228 E C 1.990 178.621 176.600 0.052 0.000 1.012 228 E CA 2.146 58.566 56.400 0.032 0.000 0.812 228 E CB -0.272 29.465 29.700 0.062 0.000 0.743 228 E HN 0.486 nan 8.360 nan 0.000 0.453 229 Y N 1.344 121.638 120.300 -0.010 0.000 2.163 229 Y HA -0.238 4.312 4.550 0.000 0.000 0.288 229 Y C 2.413 178.302 175.900 -0.018 0.000 1.136 229 Y CA 1.943 60.045 58.100 0.003 0.000 1.147 229 Y CB 0.038 38.522 38.460 0.040 0.000 0.987 229 Y HN -0.048 nan 8.280 nan 0.000 0.509 230 E N 0.778 120.921 120.200 -0.096 0.000 2.077 230 E HA -0.202 4.148 4.350 0.000 0.000 0.193 230 E C 1.970 178.442 176.600 -0.214 0.000 0.989 230 E CA 2.059 58.356 56.400 -0.172 0.000 0.800 230 E CB -0.604 29.078 29.700 -0.030 0.000 0.746 230 E HN 0.655 nan 8.360 nan 0.000 0.452 231 I N 0.453 120.934 120.570 -0.148 0.000 2.151 231 I HA -0.305 3.865 4.170 0.000 0.000 0.243 231 I C 2.507 178.511 176.117 -0.188 0.000 1.080 231 I CA 1.783 63.000 61.300 -0.138 0.000 1.339 231 I CB -0.391 37.559 38.000 -0.083 0.000 1.039 231 I HN 0.236 nan 8.210 nan 0.000 0.409 232 E N 1.267 121.337 120.200 -0.216 0.000 2.038 232 E HA -0.280 4.070 4.350 0.000 0.000 0.195 232 E C 2.371 178.786 176.600 -0.308 0.000 1.000 232 E CA 1.509 57.769 56.400 -0.233 0.000 0.803 232 E CB -0.186 29.386 29.700 -0.213 0.000 0.750 232 E HN 0.192 nan 8.360 nan 0.000 0.448 233 R N 0.051 120.254 120.500 -0.495 0.000 2.083 233 R HA -0.213 4.127 4.340 0.000 0.000 0.237 233 R C 2.394 178.551 176.300 -0.239 0.000 1.137 233 R CA 2.103 57.950 56.100 -0.420 0.000 0.951 233 R CB -0.212 29.773 30.300 -0.524 0.000 0.851 233 R HN 0.367 nan 8.270 nan 0.000 0.434 234 Q N -0.017 119.648 119.800 -0.226 0.000 2.079 234 Q HA -0.115 4.226 4.340 0.000 0.000 0.200 234 Q C 2.266 178.116 176.000 -0.251 0.000 0.974 234 Q CA 1.636 57.324 55.803 -0.192 0.000 0.840 234 Q CB -0.042 28.595 28.738 -0.169 0.000 0.898 234 Q HN 0.416 nan 8.270 nan 0.000 0.430 235 I N 1.018 121.410 120.570 -0.298 0.000 2.179 235 I HA -0.310 3.860 4.170 0.000 0.000 0.242 235 I C 1.877 177.850 176.117 -0.238 0.000 1.088 235 I CA 0.711 61.776 61.300 -0.392 0.000 1.357 235 I CB -0.434 37.377 38.000 -0.315 0.000 1.051 235 I HN 0.226 nan 8.210 nan 0.000 0.409 236 N N 0.961 119.564 118.700 -0.162 0.000 2.027 236 N HA -0.196 4.545 4.740 0.000 0.000 0.200 236 N C 1.925 177.386 175.510 -0.082 0.000 1.042 236 N CA 1.791 54.782 53.050 -0.098 0.000 0.871 236 N CB -0.945 37.488 38.487 -0.089 0.000 1.063 236 N HN 0.139 nan 8.380 nan 0.000 0.438 237 V N 0.957 120.815 119.914 -0.092 0.000 2.250 237 V HA -0.239 3.881 4.120 0.000 0.000 0.250 237 V C 2.490 178.550 176.094 -0.057 0.000 1.060 237 V CA 1.703 63.965 62.300 -0.063 0.000 1.030 237 V CB -0.788 30.997 31.823 -0.062 0.000 0.643 237 V HN 0.118 nan 8.190 nan 0.000 0.445 238 V N -0.321 119.534 119.914 -0.097 0.000 2.307 238 V HA -0.216 3.905 4.120 0.000 0.000 0.245 238 V C 2.340 178.436 176.094 0.004 0.000 1.045 238 V CA 1.981 64.244 62.300 -0.062 0.000 1.024 238 V CB -0.682 31.057 31.823 -0.139 0.000 0.651 238 V HN 0.603 nan 8.190 nan 0.000 0.449 239 E N -0.188 120.011 120.200 -0.002 0.000 2.427 239 E HA -0.107 4.243 4.350 0.000 0.000 0.196 239 E C 1.577 178.194 176.600 0.029 0.000 1.028 239 E CA 0.291 56.724 56.400 0.054 0.000 0.864 239 E CB 0.003 29.754 29.700 0.084 0.000 0.813 239 E HN 0.675 nan 8.360 nan 0.000 0.514 240 E N -0.009 120.195 120.200 0.008 0.000 2.445 240 E HA 0.042 4.392 4.350 0.000 0.000 0.189 240 E C 0.767 177.374 176.600 0.012 0.000 1.069 240 E CA 0.123 56.528 56.400 0.008 0.000 0.871 240 E CB 0.256 29.957 29.700 0.001 0.000 0.991 240 E HN 0.339 nan 8.360 nan 0.000 0.481 241 G N 0.898 109.709 108.800 0.018 0.000 2.162 241 G HA2 -0.261 3.699 3.960 0.000 0.000 0.260 241 G HA3 -0.261 3.699 3.960 0.000 0.000 0.260 241 G C 0.424 175.333 174.900 0.015 0.000 0.976 241 G CA -0.012 45.100 45.100 0.019 0.000 0.655 241 G HN 0.480 nan 8.290 nan 0.000 0.533 242 G N -0.862 107.942 108.800 0.008 0.000 2.461 242 G HA2 0.620 4.580 3.960 0.000 0.000 0.329 242 G HA3 0.620 4.580 3.960 0.000 0.000 0.329 242 G C -0.395 174.506 174.900 0.002 0.000 1.170 242 G CA -0.552 44.550 45.100 0.005 0.000 0.935 242 G HN 0.306 nan 8.290 nan 0.000 0.492 243 E N -0.466 119.737 120.200 0.004 0.000 2.249 243 E HA 0.250 4.600 4.350 0.000 0.000 0.280 243 E C -0.416 176.182 176.600 -0.002 0.000 1.016 243 E CA -0.571 55.831 56.400 0.004 0.000 0.830 243 E CB 2.567 32.274 29.700 0.011 0.000 1.081 243 E HN 0.244 nan 8.360 nan 0.000 0.395 244 V N 4.728 124.637 119.914 -0.009 0.000 2.508 244 V HA 0.104 4.224 4.120 0.000 0.000 0.281 244 V C -0.187 175.908 176.094 0.002 0.000 1.041 244 V CA -0.202 62.090 62.300 -0.013 0.000 1.016 244 V CB 1.178 32.983 31.823 -0.031 0.000 0.984 244 V HN 0.410 nan 8.190 nan 0.000 0.478 245 V N 7.182 127.100 119.914 0.007 0.000 2.567 245 V HA 0.391 4.511 4.120 0.000 0.000 0.289 245 V C 0.242 176.347 176.094 0.018 0.000 1.049 245 V CA -0.402 61.907 62.300 0.015 0.000 0.969 245 V CB 1.595 33.429 31.823 0.019 0.000 0.995 245 V HN 1.066 nan 8.190 nan 0.000 0.471 246 Q N 5.795 125.607 119.800 0.020 0.000 2.296 246 Q HA 0.364 4.704 4.340 0.000 0.000 0.263 246 Q C -0.383 175.632 176.000 0.025 0.000 1.026 246 Q CA -0.029 55.787 55.803 0.022 0.000 0.912 246 Q CB 0.524 29.275 28.738 0.022 0.000 1.198 246 Q HN 0.959 nan 8.270 nan 0.000 0.407 247 E N 1.916 122.133 120.200 0.028 0.000 2.437 247 E HA 0.405 4.756 4.350 0.000 0.000 0.280 247 E C -1.374 175.249 176.600 0.037 0.000 1.044 247 E CA -0.866 55.554 56.400 0.033 0.000 0.826 247 E CB 1.010 30.733 29.700 0.039 0.000 1.358 247 E HN 0.321 nan 8.360 nan 0.000 0.459 248 T N 0.892 115.470 114.554 0.041 0.000 2.907 248 T HA 0.568 4.918 4.350 0.000 0.000 0.284 248 T C -0.252 174.483 174.700 0.059 0.000 1.004 248 T CA -0.561 61.567 62.100 0.046 0.000 1.063 248 T CB 0.888 69.782 68.868 0.043 0.000 0.992 248 T HN 0.294 nan 8.240 nan 0.000 0.483 249 R N 0.397 120.938 120.500 0.067 0.000 2.867 249 R HA 0.699 5.039 4.340 0.000 0.000 0.268 249 R C -0.651 175.708 176.300 0.098 0.000 1.014 249 R CA -0.902 55.251 56.100 0.088 0.000 0.946 249 R CB 2.018 32.371 30.300 0.090 0.000 1.208 249 R HN 0.689 nan 8.270 nan 0.000 0.477 250 T N -0.646 113.981 114.554 0.121 0.000 2.942 250 T HA 0.559 4.909 4.350 0.000 0.000 0.289 250 T C -1.196 173.590 174.700 0.144 0.000 1.044 250 T CA -0.672 61.505 62.100 0.129 0.000 1.023 250 T CB 1.402 70.342 68.868 0.119 0.000 1.123 250 T HN 0.376 nan 8.240 nan 0.000 0.512 251 F N 1.736 121.653 119.950 -0.055 0.000 2.493 251 F HA 0.544 5.071 4.527 0.000 0.000 0.329 251 F C -1.049 174.659 175.800 -0.153 0.000 1.126 251 F CA -1.327 56.589 58.000 -0.140 0.000 0.937 251 F CB 1.563 40.500 39.000 -0.106 0.000 1.146 251 F HN 0.625 nan 8.300 nan 0.000 0.442 252 D N 8.278 128.171 120.400 -0.846 0.000 2.373 252 D HA 0.406 5.046 4.640 0.000 0.000 0.227 252 D C -2.047 173.557 176.300 -1.160 0.000 1.091 252 D CA -2.364 51.203 54.000 -0.723 0.000 0.840 252 D CB 1.916 42.560 40.800 -0.261 0.000 1.060 252 D HN 0.198 nan 8.370 nan 0.000 0.502 253 P HA -0.237 nan 4.420 nan 0.000 0.215 253 P C 1.346 178.408 177.300 -0.397 0.000 1.163 253 P CA 1.305 63.870 63.100 -0.892 0.000 0.894 253 P CB 0.169 31.327 31.700 -0.903 0.000 0.791 254 Q N -1.394 118.235 119.800 -0.286 0.000 2.133 254 Q HA -0.190 4.150 4.340 0.000 0.000 0.208 254 Q C 2.126 178.049 176.000 -0.128 0.000 0.991 254 Q CA 2.183 57.902 55.803 -0.140 0.000 0.867 254 Q CB -1.517 27.156 28.738 -0.109 0.000 0.911 254 Q HN 0.282 nan 8.270 nan 0.000 0.417 255 T N -1.683 112.751 114.554 -0.200 0.000 3.022 255 T HA 0.241 4.591 4.350 0.000 0.000 0.250 255 T C 1.040 175.618 174.700 -0.204 0.000 1.060 255 T CA 0.971 62.979 62.100 -0.154 0.000 1.013 255 T CB -0.080 68.737 68.868 -0.085 0.000 0.982 255 T HN 0.566 nan 8.240 nan 0.000 0.508 256 G N 1.913 110.533 108.800 -0.300 0.000 2.168 256 G HA2 -0.236 3.724 3.960 0.000 0.000 0.257 256 G HA3 -0.236 3.724 3.960 0.000 0.000 0.257 256 G C -0.060 174.751 174.900 -0.149 0.000 0.997 256 G CA 0.643 45.676 45.100 -0.111 0.000 0.708 256 G HN 0.588 nan 8.290 nan 0.000 0.520 257 K N -0.062 120.023 120.400 -0.525 0.000 2.295 257 K HA 0.699 5.019 4.320 0.000 0.000 0.239 257 K C 0.177 176.359 176.600 -0.696 0.000 0.991 257 K CA -0.223 55.525 56.287 -0.898 0.000 0.845 257 K CB 1.621 33.521 32.500 -0.999 0.000 1.197 257 K HN 0.259 nan 8.250 nan 0.000 0.441 258 T N -1.283 112.960 114.554 -0.520 0.000 2.855 258 T HA 0.527 4.877 4.350 0.000 0.000 0.281 258 T C -0.815 173.661 174.700 -0.373 0.000 1.007 258 T CA -0.701 61.259 62.100 -0.234 0.000 1.009 258 T CB 0.344 69.303 68.868 0.152 0.000 0.983 258 T HN 0.427 nan 8.240 nan 0.000 0.455 259 Y N 1.635 121.993 120.300 0.096 0.000 2.425 259 Y HA 0.517 5.067 4.550 0.000 0.000 0.344 259 Y C -2.266 173.671 175.900 0.062 0.000 0.969 259 Y CA -2.766 55.371 58.100 0.062 0.000 1.052 259 Y CB 2.236 40.704 38.460 0.014 0.000 1.215 259 Y HN 0.510 nan 8.280 nan 0.000 0.451 260 P HA 0.130 nan 4.420 nan 0.000 0.273 260 P C -0.882 176.489 177.300 0.117 0.000 1.250 260 P CA -0.043 63.138 63.100 0.134 0.000 0.793 260 P CB 1.029 32.793 31.700 0.106 0.000 1.011 261 M N 0.498 120.146 119.600 0.081 0.000 2.537 261 M HA 0.379 4.859 4.480 0.000 0.000 0.324 261 M C 1.779 178.104 176.300 0.043 0.000 1.187 261 M CA -0.644 54.693 55.300 0.062 0.000 0.993 261 M CB 1.983 34.618 32.600 0.058 0.000 1.666 261 M HN 0.247 nan 8.290 nan 0.000 0.461 262 R N -0.334 120.184 120.500 0.030 0.000 2.189 262 R HA 0.017 4.357 4.340 0.000 0.000 0.218 262 R C 0.191 176.506 176.300 0.025 0.000 1.074 262 R CA 0.869 56.981 56.100 0.020 0.000 0.991 262 R CB -0.964 29.340 30.300 0.008 0.000 0.883 262 R HN 0.738 nan 8.270 nan 0.000 0.457 263 T N -0.242 114.331 114.554 0.032 0.000 2.738 263 T HA 0.321 4.671 4.350 0.000 0.000 0.298 263 T C -0.093 174.627 174.700 0.033 0.000 0.962 263 T CA -0.940 61.180 62.100 0.034 0.000 0.972 263 T CB 1.696 70.589 68.868 0.043 0.000 0.928 263 T HN 0.019 nan 8.240 nan 0.000 0.474 264 K N 2.668 123.085 120.400 0.028 0.000 3.322 264 K HA 0.084 4.404 4.320 0.000 0.000 0.291 264 K C 0.217 176.831 176.600 0.024 0.000 1.131 264 K CA 0.083 56.386 56.287 0.025 0.000 1.185 264 K CB -0.113 32.400 32.500 0.021 0.000 1.338 264 K HN 0.682 nan 8.250 nan 0.000 0.380 265 E N 1.851 122.068 120.200 0.029 0.000 1.996 265 E HA 0.025 4.375 4.350 0.000 0.000 0.280 265 E C -0.582 176.029 176.600 0.019 0.000 1.092 265 E CA -0.194 56.223 56.400 0.029 0.000 0.862 265 E CB 0.580 30.306 29.700 0.043 0.000 1.066 265 E HN 0.287 nan 8.360 nan 0.000 0.396 266 E N 1.264 121.470 120.200 0.011 0.000 2.408 266 E HA 0.203 4.553 4.350 0.000 0.000 0.259 266 E C -0.010 176.578 176.600 -0.020 0.000 1.110 266 E CA -0.414 55.985 56.400 -0.003 0.000 0.929 266 E CB 0.617 30.313 29.700 -0.006 0.000 0.971 266 E HN 0.481 nan 8.360 nan 0.000 0.438 267 A N 1.939 124.732 122.820 -0.044 0.000 2.346 267 A HA 0.163 4.483 4.320 0.000 0.000 0.252 267 A C -0.128 177.366 177.584 -0.151 0.000 1.089 267 A CA -0.099 51.873 52.037 -0.108 0.000 0.797 267 A CB 0.429 19.352 19.000 -0.127 0.000 1.047 267 A HN 0.626 nan 8.150 nan 0.000 0.494 268 E N 0.231 120.273 120.200 -0.262 0.000 2.248 268 E HA 0.183 4.533 4.350 0.000 0.000 0.267 268 E C -1.323 175.032 176.600 -0.408 0.000 0.877 268 E CA -0.897 55.370 56.400 -0.222 0.000 0.759 268 E CB 1.534 31.180 29.700 -0.090 0.000 1.182 268 E HN 0.721 nan 8.360 nan 0.000 0.418 269 D N 1.782 122.041 120.400 -0.236 0.000 2.923 269 D HA -0.177 4.463 4.640 0.000 0.000 0.220 269 D C -0.013 176.161 176.300 -0.210 0.000 1.099 269 D CA 0.999 54.891 54.000 -0.179 0.000 0.807 269 D CB 0.442 41.212 40.800 -0.051 0.000 1.155 269 D HN 0.483 nan 8.370 nan 0.000 0.524 270 Y N 3.150 123.400 120.300 -0.083 0.000 2.578 270 Y HA 0.036 4.586 4.550 0.000 0.000 0.297 270 Y C 1.240 177.031 175.900 -0.181 0.000 1.176 270 Y CA 0.158 58.106 58.100 -0.252 0.000 1.315 270 Y CB -0.054 37.980 38.460 -0.709 0.000 1.031 270 Y HN 0.406 nan 8.280 nan 0.000 0.524 271 R N -0.981 119.575 120.500 0.093 0.000 3.301 271 R HA -0.259 4.081 4.340 0.000 0.000 0.249 271 R C -0.984 175.505 176.300 0.315 0.000 0.964 271 R CA 0.174 56.377 56.100 0.172 0.000 0.653 271 R CB -2.705 27.639 30.300 0.073 0.000 1.043 271 R HN 0.252 nan 8.270 nan 0.000 0.454 272 Y N 0.920 121.338 120.300 0.196 0.000 2.788 272 Y HA 0.148 4.698 4.550 0.000 0.000 0.341 272 Y C 0.978 177.101 175.900 0.372 0.000 1.258 272 Y CA 1.076 59.264 58.100 0.147 0.000 1.503 272 Y CB 0.287 38.653 38.460 -0.157 0.000 1.325 272 Y HN 0.275 nan 8.280 nan 0.000 0.614 273 F N 0.675 120.750 119.950 0.207 0.000 2.765 273 F HA 0.519 5.046 4.527 0.000 0.000 0.313 273 F C -3.494 172.355 175.800 0.082 0.000 1.136 273 F CA -2.754 55.330 58.000 0.140 0.000 0.952 273 F CB 0.813 39.879 39.000 0.109 0.000 1.268 273 F HN 0.113 nan 8.300 nan 0.000 0.441 274 P HA 0.031 nan 4.420 nan 0.000 0.265 274 P C -0.773 176.136 177.300 -0.652 0.000 1.193 274 P CA 0.275 63.208 63.100 -0.278 0.000 0.765 274 P CB 0.541 32.186 31.700 -0.092 0.000 0.823 275 D N 4.601 124.715 120.400 -0.477 0.000 2.401 275 D HA 0.008 4.649 4.640 0.000 0.000 0.254 275 D C -1.315 174.805 176.300 -0.301 0.000 1.192 275 D CA -1.443 52.254 54.000 -0.505 0.000 0.885 275 D CB 0.733 41.339 40.800 -0.322 0.000 1.147 275 D HN 0.225 nan 8.370 nan 0.000 0.478 276 P HA 0.018 nan 4.420 nan 0.000 0.245 276 P C 0.275 177.541 177.300 -0.058 0.000 1.212 276 P CA 0.299 63.347 63.100 -0.087 0.000 0.774 276 P CB 0.514 32.218 31.700 0.006 0.000 0.999 277 D N -0.344 120.003 120.400 -0.089 0.000 2.349 277 D HA 0.120 4.760 4.640 0.000 0.000 0.215 277 D C 0.631 176.894 176.300 -0.062 0.000 1.016 277 D CA 0.582 54.542 54.000 -0.066 0.000 0.870 277 D CB 0.528 41.278 40.800 -0.083 0.000 0.917 277 D HN 0.271 nan 8.370 nan 0.000 0.524 278 L N 0.722 121.909 121.223 -0.059 0.000 2.408 278 L HA 0.290 4.630 4.340 0.000 0.000 0.268 278 L C 0.073 176.967 176.870 0.040 0.000 0.986 278 L CA -1.191 53.646 54.840 -0.005 0.000 0.820 278 L CB 2.537 44.591 42.059 -0.008 0.000 1.303 278 L HN -0.255 nan 8.230 nan 0.000 0.411 279 V N 0.266 120.218 119.914 0.064 0.000 3.051 279 V HA 0.416 4.536 4.120 0.000 0.000 0.306 279 V C -2.153 174.007 176.094 0.111 0.000 1.083 279 V CA -1.556 60.785 62.300 0.069 0.000 1.104 279 V CB -0.403 31.455 31.823 0.059 0.000 1.027 279 V HN 0.574 nan 8.190 nan 0.000 0.483 280 P HA 0.147 nan 4.420 nan 0.000 0.265 280 P C -0.580 176.777 177.300 0.095 0.000 1.187 280 P CA -0.175 62.965 63.100 0.066 0.000 0.766 280 P CB 0.180 31.898 31.700 0.030 0.000 0.820 281 L N 3.866 125.133 121.223 0.074 0.000 2.385 281 L HA 0.184 4.524 4.340 0.000 0.000 0.281 281 L C -0.040 176.881 176.870 0.085 0.000 1.106 281 L CA 0.501 55.406 54.840 0.109 0.000 0.856 281 L CB -0.540 41.543 42.059 0.040 0.000 1.186 281 L HN 0.181 nan 8.230 nan 0.000 0.453 282 K N 4.409 124.876 120.400 0.110 0.000 2.316 282 K HA 0.479 4.800 4.320 0.000 0.000 0.267 282 K C -1.249 175.441 176.600 0.150 0.000 1.025 282 K CA -0.631 55.717 56.287 0.101 0.000 0.896 282 K CB 1.523 34.067 32.500 0.072 0.000 1.124 282 K HN 0.436 nan 8.250 nan 0.000 0.451 283 V N 5.380 125.397 119.914 0.171 0.000 2.318 283 V HA 0.151 4.271 4.120 0.000 0.000 0.271 283 V C 0.199 176.424 176.094 0.218 0.000 1.030 283 V CA -0.941 61.521 62.300 0.269 0.000 0.844 283 V CB 0.828 32.779 31.823 0.213 0.000 1.015 283 V HN 0.590 nan 8.190 nan 0.000 0.460 284 K N 3.275 123.818 120.400 0.238 0.000 2.485 284 K HA -0.011 4.309 4.320 0.000 0.000 0.277 284 K C 1.256 177.964 176.600 0.181 0.000 0.990 284 K CA 0.163 56.552 56.287 0.169 0.000 0.994 284 K CB 0.851 33.428 32.500 0.129 0.000 0.906 284 K HN 0.582 nan 8.250 nan 0.000 0.488 285 K N 2.530 122.998 120.400 0.112 0.000 2.103 285 K HA -0.213 4.107 4.320 0.000 0.000 0.207 285 K C 1.057 177.719 176.600 0.104 0.000 1.048 285 K CA 1.767 58.106 56.287 0.086 0.000 0.930 285 K CB 0.175 32.708 32.500 0.054 0.000 0.716 285 K HN 0.407 nan 8.250 nan 0.000 0.444 286 E N -0.647 119.624 120.200 0.118 0.000 2.204 286 E HA -0.191 4.159 4.350 0.000 0.000 0.195 286 E C 1.265 177.987 176.600 0.202 0.000 0.990 286 E CA 1.050 57.523 56.400 0.121 0.000 0.821 286 E CB -0.207 29.547 29.700 0.090 0.000 0.750 286 E HN 0.454 nan 8.360 nan 0.000 0.477 287 W N 0.547 121.854 121.300 0.012 0.000 2.453 287 W HA 0.086 4.746 4.660 0.000 0.000 0.289 287 W C 1.607 178.133 176.519 0.012 0.000 1.215 287 W CA 0.570 57.924 57.345 0.015 0.000 1.297 287 W CB -0.394 29.078 29.460 0.020 0.000 1.113 287 W HN 0.004 nan 8.180 nan 0.000 0.551 288 I N 0.528 121.146 120.570 0.080 0.000 2.142 288 I HA -0.336 3.834 4.170 0.000 0.000 0.240 288 I C 2.264 178.365 176.117 -0.028 0.000 1.078 288 I CA 1.926 63.193 61.300 -0.056 0.000 1.343 288 I CB -0.750 37.229 38.000 -0.036 0.000 1.046 288 I HN -0.074 nan 8.210 nan 0.000 0.405 289 E N 0.359 120.573 120.200 0.024 0.000 2.114 289 E HA -0.318 4.032 4.350 0.000 0.000 0.199 289 E C 2.129 178.746 176.600 0.028 0.000 1.008 289 E CA 1.699 58.113 56.400 0.024 0.000 0.810 289 E CB -0.157 29.569 29.700 0.042 0.000 0.739 289 E HN 0.495 nan 8.360 nan 0.000 0.456 290 E N 0.354 120.592 120.200 0.063 0.000 2.152 290 E HA -0.142 4.208 4.350 0.000 0.000 0.192 290 E C 2.031 178.652 176.600 0.036 0.000 0.983 290 E CA 0.513 56.960 56.400 0.079 0.000 0.818 290 E CB 0.091 29.892 29.700 0.167 0.000 0.758 290 E HN 0.243 nan 8.360 nan 0.000 0.467 291 I N 0.831 121.385 120.570 -0.027 0.000 2.286 291 I HA -0.216 3.954 4.170 0.000 0.000 0.245 291 I C 2.626 178.705 176.117 -0.063 0.000 1.104 291 I CA 0.836 62.088 61.300 -0.081 0.000 1.397 291 I CB -0.153 37.723 38.000 -0.208 0.000 1.072 291 I HN 0.032 nan 8.210 nan 0.000 0.417 292 K N 1.430 121.794 120.400 -0.060 0.000 2.020 292 K HA -0.289 4.031 4.320 0.000 0.000 0.212 292 K C 2.260 178.844 176.600 -0.026 0.000 1.050 292 K CA 1.931 58.189 56.287 -0.048 0.000 0.929 292 K CB -0.121 32.354 32.500 -0.040 0.000 0.714 292 K HN 0.120 nan 8.250 nan 0.000 0.443 293 K N 0.214 120.608 120.400 -0.009 0.000 2.063 293 K HA -0.142 4.178 4.320 0.000 0.000 0.208 293 K C 0.958 177.560 176.600 0.003 0.000 1.048 293 K CA 1.689 57.977 56.287 0.003 0.000 0.928 293 K CB -0.012 32.497 32.500 0.015 0.000 0.713 293 K HN 0.164 nan 8.250 nan 0.000 0.442 294 N N 0.865 119.568 118.700 0.004 0.000 2.268 294 N HA -0.007 4.733 4.740 0.000 0.000 0.204 294 N C -0.136 175.371 175.510 -0.006 0.000 1.124 294 N CA -0.072 52.982 53.050 0.007 0.000 0.838 294 N CB 0.181 38.680 38.487 0.021 0.000 0.994 294 N HN 0.212 nan 8.380 nan 0.000 0.489 295 M N 2.345 121.934 119.600 -0.018 0.000 2.284 295 M HA 0.128 4.608 4.480 0.000 0.000 0.351 295 M C -2.267 174.026 176.300 -0.013 0.000 1.443 295 M CA -1.153 54.130 55.300 -0.029 0.000 1.031 295 M CB 0.216 32.793 32.600 -0.039 0.000 1.893 295 M HN -0.119 nan 8.290 nan 0.000 0.456 296 P HA 0.018 nan 4.420 nan 0.000 0.269 296 P C -1.117 176.206 177.300 0.038 0.000 1.217 296 P CA -0.215 62.891 63.100 0.010 0.000 0.783 296 P CB 0.311 32.010 31.700 -0.002 0.000 0.898 297 E N 1.422 121.664 120.200 0.071 0.000 2.414 297 E HA 0.070 4.420 4.350 0.000 0.000 0.263 297 E C -0.604 176.094 176.600 0.163 0.000 1.000 297 E CA -0.103 56.357 56.400 0.100 0.000 0.914 297 E CB 0.173 29.945 29.700 0.120 0.000 0.948 297 E HN 0.292 nan 8.360 nan 0.000 0.444 298 L N 5.520 126.773 121.223 0.050 0.000 2.387 298 L HA 0.281 4.621 4.340 0.000 0.000 0.266 298 L C -1.645 175.061 176.870 -0.272 0.000 1.059 298 L CA -2.134 52.661 54.840 -0.075 0.000 0.801 298 L CB 0.880 42.878 42.059 -0.101 0.000 1.223 298 L HN 0.501 nan 8.230 nan 0.000 0.456 299 P HA -0.176 nan 4.420 nan 0.000 0.213 299 P C 0.631 177.788 177.300 -0.239 0.000 1.176 299 P CA 1.302 63.977 63.100 -0.707 0.000 0.919 299 P CB 0.153 31.441 31.700 -0.686 0.000 0.791 300 D N -0.863 119.427 120.400 -0.184 0.000 2.158 300 D HA -0.190 4.450 4.640 0.000 0.000 0.197 300 D C 2.079 178.397 176.300 0.031 0.000 0.995 300 D CA 1.165 55.119 54.000 -0.076 0.000 0.846 300 D CB -0.691 40.057 40.800 -0.086 0.000 0.941 300 D HN 0.384 nan 8.370 nan 0.000 0.456 301 Q N 0.059 119.861 119.800 0.004 0.000 2.020 301 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 301 Q C 2.330 178.381 176.000 0.086 0.000 0.982 301 Q CA 0.897 56.726 55.803 0.044 0.000 0.838 301 Q CB -0.079 28.675 28.738 0.027 0.000 0.899 301 Q HN 0.205 nan 8.270 nan 0.000 0.423 302 R N 0.219 120.772 120.500 0.088 0.000 2.083 302 R HA -0.189 4.151 4.340 0.000 0.000 0.237 302 R C 2.149 178.538 176.300 0.147 0.000 1.137 302 R CA 1.404 57.585 56.100 0.135 0.000 0.951 302 R CB -0.369 30.043 30.300 0.187 0.000 0.851 302 R HN 0.208 nan 8.270 nan 0.000 0.434 303 F N 2.071 122.017 119.950 -0.006 0.000 2.087 303 F HA -0.301 4.226 4.527 0.000 0.000 0.299 303 F C 2.213 178.022 175.800 0.014 0.000 1.100 303 F CA 2.019 60.014 58.000 -0.008 0.000 1.226 303 F CB -0.033 38.945 39.000 -0.037 0.000 0.983 303 F HN 0.099 nan 8.300 nan 0.000 0.479 304 E N -0.185 120.124 120.200 0.181 0.000 2.152 304 E HA -0.185 4.165 4.350 0.000 0.000 0.192 304 E C 2.316 178.929 176.600 0.022 0.000 0.983 304 E CA 0.850 57.299 56.400 0.081 0.000 0.818 304 E CB -0.557 29.215 29.700 0.119 0.000 0.758 304 E HN 0.484 nan 8.360 nan 0.000 0.467 305 R N 0.808 121.339 120.500 0.053 0.000 2.092 305 R HA -0.034 4.307 4.340 0.000 0.000 0.231 305 R C 2.487 178.842 176.300 0.093 0.000 1.119 305 R CA 0.647 56.782 56.100 0.059 0.000 0.970 305 R CB -0.114 30.237 30.300 0.086 0.000 0.864 305 R HN 0.117 nan 8.270 nan 0.000 0.440 306 L N 0.445 121.735 121.223 0.112 0.000 2.005 306 L HA -0.190 4.150 4.340 0.000 0.000 0.207 306 L C 2.501 179.439 176.870 0.114 0.000 1.072 306 L CA 1.299 56.269 54.840 0.218 0.000 0.744 306 L CB -0.479 41.593 42.059 0.023 0.000 0.895 306 L HN 0.245 nan 8.230 nan 0.000 0.433 307 I N -0.039 120.482 120.570 -0.083 0.000 2.143 307 I HA -0.410 3.760 4.170 0.000 0.000 0.245 307 I C 2.616 178.721 176.117 -0.021 0.000 1.068 307 I CA 1.738 62.980 61.300 -0.095 0.000 1.326 307 I CB -0.254 37.644 38.000 -0.169 0.000 1.028 307 I HN 0.274 nan 8.210 nan 0.000 0.412 308 K N 0.259 120.649 120.400 -0.018 0.000 1.995 308 K HA -0.164 4.156 4.320 0.000 0.000 0.207 308 K C 2.077 178.638 176.600 -0.065 0.000 1.041 308 K CA 1.139 57.409 56.287 -0.029 0.000 0.942 308 K CB -0.209 32.275 32.500 -0.027 0.000 0.731 308 K HN 0.163 nan 8.250 nan 0.000 0.439 309 E N -0.543 119.582 120.200 -0.125 0.000 2.219 309 E HA -0.213 4.137 4.350 0.000 0.000 0.198 309 E C 0.520 176.800 176.600 -0.534 0.000 0.998 309 E CA 1.441 57.614 56.400 -0.378 0.000 0.818 309 E CB 0.187 29.560 29.700 -0.545 0.000 0.741 309 E HN 0.375 nan 8.360 nan 0.000 0.477 310 Y N -2.349 117.976 120.300 0.043 0.000 2.610 310 Y HA 0.311 4.861 4.550 0.000 0.000 0.254 310 Y C 1.118 177.045 175.900 0.046 0.000 1.110 310 Y CA 0.050 58.199 58.100 0.081 0.000 1.238 310 Y CB 1.306 39.886 38.460 0.199 0.000 1.322 310 Y HN 0.071 nan 8.280 nan 0.000 0.547 311 G N 1.635 110.505 108.800 0.117 0.000 2.225 311 G HA2 -0.300 3.660 3.960 0.000 0.000 0.267 311 G HA3 -0.300 3.660 3.960 0.000 0.000 0.267 311 G C 0.151 175.080 174.900 0.048 0.000 1.024 311 G CA 0.338 45.475 45.100 0.061 0.000 0.784 311 G HN 0.281 nan 8.290 nan 0.000 0.507 312 L N 0.580 121.824 121.223 0.035 0.000 2.476 312 L HA 0.438 4.778 4.340 0.000 0.000 0.264 312 L C 1.530 178.362 176.870 -0.064 0.000 1.224 312 L CA 0.158 54.973 54.840 -0.041 0.000 0.821 312 L CB 0.604 42.574 42.059 -0.149 0.000 1.101 312 L HN 0.470 nan 8.230 nan 0.000 0.488 313 S N -0.342 115.331 115.700 -0.045 0.000 2.652 313 S HA 0.143 4.613 4.470 0.000 0.000 0.270 313 S C 0.679 175.243 174.600 -0.061 0.000 1.243 313 S CA -0.741 57.450 58.200 -0.015 0.000 0.999 313 S CB 1.315 64.553 63.200 0.063 0.000 0.973 313 S HN 0.650 nan 8.310 nan 0.000 0.544 314 E N -0.175 120.018 120.200 -0.011 0.000 2.265 314 E HA -0.168 4.182 4.350 0.000 0.000 0.196 314 E C 1.379 178.063 176.600 0.140 0.000 0.996 314 E CA 1.267 57.690 56.400 0.038 0.000 0.832 314 E CB -0.281 29.530 29.700 0.185 0.000 0.756 314 E HN 0.843 nan 8.360 nan 0.000 0.491 315 Y N 1.688 121.993 120.300 0.010 0.000 2.163 315 Y HA -0.175 4.375 4.550 0.000 0.000 0.288 315 Y C 1.897 177.785 175.900 -0.020 0.000 1.136 315 Y CA 1.646 59.753 58.100 0.012 0.000 1.147 315 Y CB 0.150 38.606 38.460 -0.006 0.000 0.987 315 Y HN -0.057 nan 8.280 nan 0.000 0.509 316 E N 0.483 120.566 120.200 -0.195 0.000 2.028 316 E HA -0.156 4.194 4.350 0.000 0.000 0.191 316 E C 2.418 178.820 176.600 -0.330 0.000 0.988 316 E CA 0.977 57.172 56.400 -0.343 0.000 0.799 316 E CB -0.389 29.195 29.700 -0.193 0.000 0.755 316 E HN 0.566 nan 8.360 nan 0.000 0.447 317 A N 1.374 124.016 122.820 -0.298 0.000 1.908 317 A HA -0.149 4.171 4.320 0.000 0.000 0.218 317 A C 2.445 179.972 177.584 -0.094 0.000 1.181 317 A CA 1.858 53.705 52.037 -0.317 0.000 0.627 317 A CB -1.371 17.277 19.000 -0.586 0.000 0.818 317 A HN 0.368 nan 8.150 nan 0.000 0.445 318 G N -0.004 108.846 108.800 0.083 0.000 2.476 318 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 318 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 318 G C 1.544 176.471 174.900 0.045 0.000 1.164 318 G CA 1.193 46.449 45.100 0.260 0.000 0.768 318 G HN 0.481 nan 8.290 nan 0.000 0.560 319 I N 0.435 120.939 120.570 -0.111 0.000 2.163 319 I HA -0.151 4.019 4.170 0.000 0.000 0.243 319 I C 2.676 178.761 176.117 -0.054 0.000 1.085 319 I CA 0.816 62.038 61.300 -0.129 0.000 1.347 319 I CB -0.135 37.696 38.000 -0.281 0.000 1.044 319 I HN 0.117 nan 8.210 nan 0.000 0.408 320 L N -0.404 120.757 121.223 -0.104 0.000 2.191 320 L HA -0.168 4.172 4.340 0.000 0.000 0.212 320 L C 2.264 179.164 176.870 0.049 0.000 1.103 320 L CA 1.012 55.805 54.840 -0.078 0.000 0.769 320 L CB -0.433 41.504 42.059 -0.203 0.000 0.908 320 L HN 0.179 nan 8.230 nan 0.000 0.438 321 V N -0.889 119.088 119.914 0.105 0.000 3.263 321 V HA -0.018 4.102 4.120 0.000 0.000 0.248 321 V C 1.811 178.045 176.094 0.232 0.000 1.145 321 V CA 0.580 63.010 62.300 0.216 0.000 1.107 321 V CB -0.043 31.911 31.823 0.218 0.000 0.797 321 V HN 0.380 nan 8.190 nan 0.000 0.467 322 N N -0.252 118.539 118.700 0.152 0.000 2.396 322 N HA -0.076 4.664 4.740 0.000 0.000 0.180 322 N C 0.825 176.460 175.510 0.209 0.000 1.028 322 N CA 0.870 54.000 53.050 0.133 0.000 0.893 322 N CB -0.171 38.353 38.487 0.062 0.000 0.967 322 N HN 0.610 nan 8.380 nan 0.000 0.440 323 H N 0.490 119.605 119.070 0.075 0.000 2.786 323 H HA 0.161 4.717 4.556 0.000 0.000 0.284 323 H C 0.799 176.157 175.328 0.049 0.000 1.104 323 H CA -0.384 55.694 56.048 0.049 0.000 1.339 323 H CB 0.774 30.541 29.762 0.009 0.000 1.427 323 H HN -0.093 nan 8.280 nan 0.000 0.497 324 K N 2.940 123.401 120.400 0.102 0.000 2.113 324 K HA -0.199 4.121 4.320 0.000 0.000 0.208 324 K C 0.804 177.314 176.600 -0.148 0.000 1.047 324 K CA 1.930 58.164 56.287 -0.089 0.000 0.928 324 K CB 0.352 32.598 32.500 -0.423 0.000 0.716 324 K HN 0.612 nan 8.250 nan 0.000 0.446 325 E N -0.030 120.019 120.200 -0.252 0.000 2.274 325 E HA -0.094 4.256 4.350 0.000 0.000 0.194 325 E C 1.802 178.298 176.600 -0.174 0.000 0.996 325 E CA 0.669 56.935 56.400 -0.224 0.000 0.840 325 E CB 0.152 29.714 29.700 -0.230 0.000 0.772 325 E HN 0.079 nan 8.360 nan 0.000 0.491 326 V N 0.409 120.141 119.914 -0.302 0.000 2.270 326 V HA -0.165 3.955 4.120 0.000 0.000 0.245 326 V C 2.310 178.420 176.094 0.027 0.000 1.043 326 V CA 1.994 64.210 62.300 -0.141 0.000 1.014 326 V CB -1.089 30.639 31.823 -0.159 0.000 0.645 326 V HN 0.434 nan 8.190 nan 0.000 0.447 327 G N -0.020 108.787 108.800 0.013 0.000 2.442 327 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 327 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 327 G C 1.209 176.194 174.900 0.142 0.000 1.141 327 G CA 1.118 46.266 45.100 0.079 0.000 0.763 327 G HN 0.542 nan 8.290 nan 0.000 0.554 328 D N -0.176 120.270 120.400 0.077 0.000 2.149 328 D HA -0.055 4.585 4.640 0.000 0.000 0.201 328 D C 1.965 178.317 176.300 0.086 0.000 0.972 328 D CA 0.225 54.257 54.000 0.054 0.000 0.835 328 D CB -0.323 40.469 40.800 -0.013 0.000 0.966 328 D HN 0.378 nan 8.370 nan 0.000 0.476 329 F N 0.869 120.804 119.950 -0.025 0.000 2.069 329 F HA -0.244 4.283 4.527 0.000 0.000 0.298 329 F C 2.232 178.037 175.800 0.008 0.000 1.113 329 F CA 1.110 59.097 58.000 -0.023 0.000 1.214 329 F CB -0.199 38.783 39.000 -0.030 0.000 0.978 329 F HN -0.145 nan 8.300 nan 0.000 0.474 330 F N 1.477 121.572 119.950 0.242 0.000 2.091 330 F HA -0.259 4.268 4.527 0.000 0.000 0.299 330 F C 2.293 178.082 175.800 -0.018 0.000 1.103 330 F CA 2.359 60.411 58.000 0.087 0.000 1.228 330 F CB -0.692 38.279 39.000 -0.047 0.000 0.984 330 F HN 0.052 nan 8.300 nan 0.000 0.477 331 E N -0.466 119.689 120.200 -0.074 0.000 2.208 331 E HA -0.209 4.141 4.350 0.000 0.000 0.193 331 E C 2.109 178.624 176.600 -0.142 0.000 0.988 331 E CA 0.983 57.261 56.400 -0.203 0.000 0.828 331 E CB -0.229 29.482 29.700 0.017 0.000 0.763 331 E HN 0.596 nan 8.360 nan 0.000 0.478 332 E N 0.310 120.454 120.200 -0.094 0.000 2.158 332 E HA -0.091 4.259 4.350 0.000 0.000 0.191 332 E C 1.909 178.495 176.600 -0.023 0.000 0.982 332 E CA 0.593 56.957 56.400 -0.059 0.000 0.823 332 E CB 0.119 29.746 29.700 -0.122 0.000 0.766 332 E HN 0.177 nan 8.360 nan 0.000 0.468 333 A N 0.835 123.578 122.820 -0.128 0.000 1.854 333 A HA -0.109 4.211 4.320 0.000 0.000 0.214 333 A C 2.297 179.842 177.584 -0.066 0.000 1.192 333 A CA 1.152 53.132 52.037 -0.095 0.000 0.611 333 A CB -0.904 18.095 19.000 -0.002 0.000 0.832 333 A HN 0.240 nan 8.150 nan 0.000 0.442 334 V N -0.110 119.626 119.914 -0.297 0.000 2.828 334 V HA -0.224 3.897 4.120 0.000 0.000 0.260 334 V C 2.446 178.486 176.094 -0.090 0.000 1.101 334 V CA 2.444 64.570 62.300 -0.290 0.000 1.123 334 V CB -0.825 30.620 31.823 -0.630 0.000 0.704 334 V HN 0.614 nan 8.190 nan 0.000 0.493 335 R N -1.166 119.318 120.500 -0.027 0.000 2.073 335 R HA -0.091 4.249 4.340 0.000 0.000 0.229 335 R C 2.193 178.479 176.300 -0.023 0.000 1.120 335 R CA 1.794 57.883 56.100 -0.018 0.000 0.967 335 R CB -0.251 30.028 30.300 -0.034 0.000 0.862 335 R HN 0.698 nan 8.270 nan 0.000 0.436 336 H N -2.244 116.814 119.070 -0.021 0.000 2.395 336 H HA 0.052 4.609 4.556 0.000 0.000 0.299 336 H C -0.446 174.966 175.328 0.139 0.000 1.070 336 H CA 1.063 57.129 56.048 0.030 0.000 1.356 336 H CB 0.167 29.933 29.762 0.007 0.000 1.401 336 H HN 0.030 nan 8.280 nan 0.000 0.524 337 F N 0.637 120.630 119.950 0.071 0.000 2.612 337 F HA 0.300 4.827 4.527 0.000 0.000 0.332 337 F C -0.112 175.698 175.800 0.016 0.000 1.167 337 F CA -1.477 56.542 58.000 0.031 0.000 0.970 337 F CB 1.145 40.162 39.000 0.027 0.000 1.234 337 F HN -0.299 nan 8.300 nan 0.000 0.453 338 K N 3.837 124.005 120.400 -0.387 0.000 3.358 338 K HA 0.016 4.336 4.320 0.000 0.000 0.297 338 K C -0.292 176.017 176.600 -0.485 0.000 1.064 338 K CA 0.217 56.306 56.287 -0.330 0.000 1.144 338 K CB -0.255 32.141 32.500 -0.173 0.000 1.289 338 K HN 0.537 nan 8.250 nan 0.000 0.372 339 E N 1.070 120.886 120.200 -0.641 0.000 2.376 339 E HA 0.145 4.495 4.350 0.000 0.000 0.236 339 E C -2.039 174.516 176.600 -0.075 0.000 0.962 339 E CA -2.500 53.668 56.400 -0.387 0.000 0.768 339 E CB 0.963 30.371 29.700 -0.487 0.000 1.236 339 E HN 0.092 nan 8.360 nan 0.000 0.431 340 P HA -0.178 nan 4.420 nan 0.000 0.215 340 P C 1.056 178.521 177.300 0.276 0.000 1.157 340 P CA 1.088 64.307 63.100 0.199 0.000 0.863 340 P CB 0.370 32.280 31.700 0.350 0.000 0.787 341 K N -0.284 120.227 120.400 0.185 0.000 2.097 341 K HA -0.067 4.253 4.320 0.000 0.000 0.206 341 K C 2.369 179.078 176.600 0.180 0.000 1.049 341 K CA 1.578 57.961 56.287 0.160 0.000 0.933 341 K CB -0.877 31.689 32.500 0.110 0.000 0.717 341 K HN 0.102 nan 8.250 nan 0.000 0.442 342 G N 1.446 110.368 108.800 0.203 0.000 2.433 342 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 342 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 342 G C 1.510 176.633 174.900 0.372 0.000 1.186 342 G CA 0.794 46.073 45.100 0.297 0.000 0.779 342 G HN 0.195 nan 8.290 nan 0.000 0.543 343 I N 1.057 121.821 120.570 0.323 0.000 2.179 343 I HA -0.186 3.984 4.170 0.000 0.000 0.242 343 I C 2.906 179.246 176.117 0.373 0.000 1.088 343 I CA 1.068 62.575 61.300 0.345 0.000 1.357 343 I CB -0.353 37.785 38.000 0.230 0.000 1.051 343 I HN 0.132 nan 8.210 nan 0.000 0.409 344 V N 0.150 120.288 119.914 0.372 0.000 2.392 344 V HA -0.261 3.859 4.120 0.000 0.000 0.249 344 V C 2.091 178.245 176.094 0.100 0.000 1.059 344 V CA 2.019 64.416 62.300 0.163 0.000 1.051 344 V CB -1.287 30.520 31.823 -0.028 0.000 0.658 344 V HN 0.393 nan 8.190 nan 0.000 0.455 345 N N 0.144 118.914 118.700 0.118 0.000 2.013 345 N HA -0.162 4.579 4.740 0.000 0.000 0.195 345 N C 1.436 176.934 175.510 -0.019 0.000 1.051 345 N CA 2.192 55.250 53.050 0.013 0.000 0.851 345 N CB -0.719 37.747 38.487 -0.035 0.000 1.044 345 N HN 0.663 nan 8.380 nan 0.000 0.422 346 W N 0.925 122.267 121.300 0.069 0.000 2.374 346 W HA -0.002 4.658 4.660 0.000 0.000 0.288 346 W C 2.119 178.654 176.519 0.028 0.000 1.218 346 W CA 0.137 57.514 57.345 0.054 0.000 1.245 346 W CB -0.590 28.913 29.460 0.071 0.000 1.126 346 W HN 0.100 nan 8.180 nan 0.000 0.545 347 L N 0.440 121.799 121.223 0.228 0.000 1.976 347 L HA -0.169 4.172 4.340 0.000 0.000 0.209 347 L C 2.047 178.921 176.870 0.007 0.000 1.071 347 L CA 2.017 56.903 54.840 0.076 0.000 0.746 347 L CB -1.092 41.012 42.059 0.074 0.000 0.890 347 L HN -0.011 nan 8.230 nan 0.000 0.432 348 I N -0.172 120.397 120.570 -0.002 0.000 2.252 348 I HA -0.245 3.925 4.170 0.000 0.000 0.245 348 I C 1.746 177.853 176.117 -0.016 0.000 1.102 348 I CA 1.209 62.491 61.300 -0.030 0.000 1.385 348 I CB -0.416 37.561 38.000 -0.038 0.000 1.064 348 I HN 0.397 nan 8.210 nan 0.000 0.414 349 N N -0.313 118.368 118.700 -0.032 0.000 2.392 349 N HA -0.027 4.713 4.740 0.000 0.000 0.177 349 N C 0.893 176.365 175.510 -0.063 0.000 1.066 349 N CA 0.776 53.786 53.050 -0.068 0.000 0.895 349 N CB 0.365 38.764 38.487 -0.146 0.000 0.988 349 N HN 0.418 nan 8.380 nan 0.000 0.457 350 D N -0.418 119.977 120.400 -0.008 0.000 3.239 350 D HA 0.018 4.658 4.640 0.000 0.000 0.265 350 D C 1.772 178.116 176.300 0.073 0.000 1.442 350 D CA -0.230 53.806 54.000 0.060 0.000 1.178 350 D CB 0.074 40.998 40.800 0.208 0.000 1.198 350 D HN -0.085 nan 8.370 nan 0.000 0.366 351 L N 1.757 123.030 121.223 0.084 0.000 1.955 351 L HA -0.140 4.200 4.340 0.000 0.000 0.213 351 L C 2.336 179.191 176.870 -0.024 0.000 1.072 351 L CA 1.544 56.398 54.840 0.024 0.000 0.755 351 L CB -0.911 41.130 42.059 -0.030 0.000 0.888 351 L HN -0.013 nan 8.230 nan 0.000 0.432 352 L N -0.026 121.167 121.223 -0.050 0.000 2.021 352 L HA -0.211 4.129 4.340 0.000 0.000 0.215 352 L C 2.464 179.324 176.870 -0.016 0.000 1.074 352 L CA 2.275 57.087 54.840 -0.047 0.000 0.760 352 L CB -1.696 40.337 42.059 -0.043 0.000 0.889 352 L HN 0.461 nan 8.230 nan 0.000 0.433 353 G N -1.918 106.880 108.800 -0.004 0.000 2.430 353 G HA2 -0.106 3.854 3.960 0.000 0.000 0.216 353 G HA3 -0.106 3.854 3.960 0.000 0.000 0.216 353 G C 1.664 176.569 174.900 0.009 0.000 1.146 353 G CA 0.348 45.450 45.100 0.003 0.000 0.793 353 G HN 0.306 nan 8.290 nan 0.000 0.537 354 L N -0.024 121.208 121.223 0.015 0.000 2.005 354 L HA -0.008 4.332 4.340 0.000 0.000 0.207 354 L C 2.909 179.789 176.870 0.017 0.000 1.072 354 L CA 0.764 55.618 54.840 0.022 0.000 0.744 354 L CB -0.421 41.660 42.059 0.037 0.000 0.895 354 L HN 0.195 nan 8.230 nan 0.000 0.433 355 L N -0.818 120.411 121.223 0.010 0.000 2.042 355 L HA -0.239 4.101 4.340 0.000 0.000 0.210 355 L C 2.800 179.677 176.870 0.011 0.000 1.076 355 L CA 1.272 56.118 54.840 0.010 0.000 0.749 355 L CB -0.636 41.422 42.059 -0.002 0.000 0.893 355 L HN 0.214 nan 8.230 nan 0.000 0.432 356 R N 0.069 120.573 120.500 0.007 0.000 2.103 356 R HA -0.196 4.144 4.340 0.000 0.000 0.242 356 R C 1.931 178.235 176.300 0.006 0.000 1.142 356 R CA 1.932 58.035 56.100 0.006 0.000 0.960 356 R CB -0.356 29.945 30.300 0.001 0.000 0.858 356 R HN 0.374 nan 8.270 nan 0.000 0.439 357 D N 0.053 120.458 120.400 0.009 0.000 2.097 357 D HA -0.105 4.535 4.640 0.000 0.000 0.197 357 D C 1.727 178.034 176.300 0.011 0.000 0.984 357 D CA 1.162 55.168 54.000 0.009 0.000 0.826 357 D CB 0.005 40.812 40.800 0.011 0.000 0.973 357 D HN 0.105 nan 8.370 nan 0.000 0.460 358 K N -0.555 119.853 120.400 0.014 0.000 2.211 358 K HA 0.030 4.351 4.320 0.000 0.000 0.203 358 K C 1.187 177.796 176.600 0.015 0.000 1.050 358 K CA 0.992 57.288 56.287 0.016 0.000 0.945 358 K CB 0.187 32.699 32.500 0.020 0.000 0.732 358 K HN 0.245 nan 8.250 nan 0.000 0.451 359 G N 2.254 111.062 108.800 0.014 0.000 2.140 359 G HA2 -0.233 3.727 3.960 0.000 0.000 0.211 359 G HA3 -0.233 3.727 3.960 0.000 0.000 0.211 359 G C -0.122 174.788 174.900 0.017 0.000 1.013 359 G CA 0.066 45.173 45.100 0.012 0.000 0.705 359 G HN 0.385 nan 8.290 nan 0.000 0.508 360 I N 1.622 122.205 120.570 0.022 0.000 2.377 360 I HA 0.690 4.860 4.170 0.000 0.000 0.293 360 I C 0.709 176.848 176.117 0.037 0.000 0.987 360 I CA -0.339 60.979 61.300 0.030 0.000 1.185 360 I CB 1.481 39.500 38.000 0.033 0.000 1.341 360 I HN 0.361 nan 8.210 nan 0.000 0.455 361 S N 5.911 121.639 115.700 0.046 0.000 2.592 361 S HA 0.138 4.608 4.470 0.000 0.000 0.271 361 S C 1.010 175.648 174.600 0.065 0.000 1.326 361 S CA -0.603 57.639 58.200 0.068 0.000 1.024 361 S CB 1.437 64.682 63.200 0.075 0.000 0.921 361 S HN 0.775 nan 8.310 nan 0.000 0.527 362 I N 1.470 122.075 120.570 0.059 0.000 2.530 362 I HA -0.134 4.036 4.170 0.000 0.000 0.257 362 I C 1.895 178.089 176.117 0.129 0.000 1.179 362 I CA 1.580 62.901 61.300 0.034 0.000 1.440 362 I CB -0.548 37.401 38.000 -0.085 0.000 1.087 362 I HN 0.828 nan 8.210 nan 0.000 0.440 363 E N 0.385 120.633 120.200 0.080 0.000 2.072 363 E HA -0.158 4.192 4.350 0.000 0.000 0.191 363 E C 1.780 178.423 176.600 0.072 0.000 0.985 363 E CA 1.313 57.754 56.400 0.068 0.000 0.801 363 E CB -0.191 29.532 29.700 0.037 0.000 0.750 363 E HN 0.487 nan 8.360 nan 0.000 0.452 364 E N 0.621 120.863 120.200 0.070 0.000 2.479 364 E HA 0.045 4.395 4.350 0.000 0.000 0.193 364 E C 0.209 176.854 176.600 0.074 0.000 1.049 364 E CA 0.107 56.543 56.400 0.059 0.000 0.870 364 E CB 0.203 29.931 29.700 0.046 0.000 0.944 364 E HN 0.145 nan 8.360 nan 0.000 0.492 365 S N 1.928 117.694 115.700 0.110 0.000 2.549 365 S HA 0.084 4.554 4.470 0.000 0.000 0.286 365 S C -1.687 172.992 174.600 0.132 0.000 1.314 365 S CA -0.975 57.300 58.200 0.124 0.000 1.062 365 S CB 1.415 64.705 63.200 0.150 0.000 0.865 365 S HN -0.224 nan 8.310 nan 0.000 0.498 366 P HA 0.003 nan 4.420 nan 0.000 0.218 366 P C -0.134 177.295 177.300 0.214 0.000 1.149 366 P CA 0.452 63.628 63.100 0.127 0.000 0.817 366 P CB -0.131 31.624 31.700 0.092 0.000 0.785 367 V N 1.287 121.344 119.914 0.238 0.000 2.415 367 V HA 0.053 4.173 4.120 0.000 0.000 0.267 367 V C 0.667 176.936 176.094 0.291 0.000 1.042 367 V CA 0.054 62.565 62.300 0.351 0.000 1.000 367 V CB -0.277 31.706 31.823 0.268 0.000 1.015 367 V HN 0.022 nan 8.190 nan 0.000 0.478 368 K N 5.877 126.223 120.400 -0.090 0.000 2.098 368 K HA 0.371 4.691 4.320 0.000 0.000 0.258 368 K C -1.644 174.638 176.600 -0.530 0.000 0.973 368 K CA -1.778 54.250 56.287 -0.433 0.000 0.898 368 K CB 1.159 33.280 32.500 -0.632 0.000 1.057 368 K HN 0.189 nan 8.250 nan 0.000 0.447 369 P HA -0.274 nan 4.420 nan 0.000 0.219 369 P C 0.038 177.045 177.300 -0.489 0.000 1.151 369 P CA 1.562 64.226 63.100 -0.727 0.000 0.850 369 P CB 0.257 31.470 31.700 -0.812 0.000 0.784 370 E N -2.048 117.750 120.200 -0.669 0.000 2.072 370 E HA -0.185 4.165 4.350 0.000 0.000 0.191 370 E C 1.922 178.413 176.600 -0.181 0.000 0.985 370 E CA 1.238 57.282 56.400 -0.594 0.000 0.801 370 E CB -1.110 28.279 29.700 -0.518 0.000 0.750 370 E HN 0.549 nan 8.360 nan 0.000 0.452 371 H N -0.311 118.673 119.070 -0.143 0.000 2.326 371 H HA -0.052 4.504 4.556 0.000 0.000 0.301 371 H C 2.013 177.309 175.328 -0.053 0.000 1.081 371 H CA 0.771 56.774 56.048 -0.075 0.000 1.334 371 H CB -0.037 29.705 29.762 -0.034 0.000 1.385 371 H HN 0.030 nan 8.280 nan 0.000 0.504 372 L N 1.119 122.423 121.223 0.135 0.000 2.042 372 L HA -0.146 4.194 4.340 0.000 0.000 0.210 372 L C 2.522 179.421 176.870 0.048 0.000 1.076 372 L CA 1.673 56.577 54.840 0.105 0.000 0.749 372 L CB -0.704 41.494 42.059 0.231 0.000 0.893 372 L HN 0.255 nan 8.230 nan 0.000 0.432 373 A N -1.254 121.595 122.820 0.048 0.000 1.933 373 A HA -0.257 4.063 4.320 0.000 0.000 0.218 373 A C 2.317 179.895 177.584 -0.010 0.000 1.175 373 A CA 1.858 53.950 52.037 0.090 0.000 0.628 373 A CB -0.628 18.431 19.000 0.098 0.000 0.814 373 A HN 0.598 nan 8.150 nan 0.000 0.444 374 E N -0.713 119.454 120.200 -0.056 0.000 2.028 374 E HA -0.175 4.175 4.350 0.000 0.000 0.191 374 E C 1.972 178.458 176.600 -0.190 0.000 0.988 374 E CA 1.270 57.595 56.400 -0.125 0.000 0.799 374 E CB -0.189 29.473 29.700 -0.063 0.000 0.755 374 E HN 0.467 nan 8.360 nan 0.000 0.447 375 L N 0.679 121.801 121.223 -0.168 0.000 2.012 375 L HA -0.161 4.180 4.340 0.000 0.000 0.210 375 L C 2.212 178.873 176.870 -0.349 0.000 1.073 375 L CA 1.460 56.141 54.840 -0.265 0.000 0.748 375 L CB -0.493 41.389 42.059 -0.295 0.000 0.891 375 L HN 0.004 nan 8.230 nan 0.000 0.431 376 V N -0.285 119.463 119.914 -0.277 0.000 2.759 376 V HA -0.246 3.874 4.120 0.000 0.000 0.256 376 V C 2.639 178.657 176.094 -0.126 0.000 1.080 376 V CA 1.743 63.938 62.300 -0.175 0.000 1.101 376 V CB -0.766 31.105 31.823 0.079 0.000 0.698 376 V HN 0.498 nan 8.190 nan 0.000 0.477 377 K N 0.128 120.276 120.400 -0.420 0.000 2.025 377 K HA -0.120 4.200 4.320 0.000 0.000 0.207 377 K C 2.131 178.505 176.600 -0.376 0.000 1.049 377 K CA 1.387 57.179 56.287 -0.825 0.000 0.933 377 K CB -0.192 31.701 32.500 -1.011 0.000 0.714 377 K HN 0.387 nan 8.250 nan 0.000 0.438 378 L N 1.193 122.249 121.223 -0.279 0.000 2.079 378 L HA -0.242 4.099 4.340 0.000 0.000 0.210 378 L C 2.332 179.130 176.870 -0.120 0.000 1.081 378 L CA 0.767 55.498 54.840 -0.181 0.000 0.752 378 L CB -0.473 41.480 42.059 -0.176 0.000 0.896 378 L HN 0.228 nan 8.230 nan 0.000 0.433 379 I N 0.067 120.563 120.570 -0.122 0.000 2.252 379 I HA -0.232 3.938 4.170 0.000 0.000 0.245 379 I C 2.556 178.700 176.117 0.045 0.000 1.102 379 I CA 1.404 62.690 61.300 -0.023 0.000 1.385 379 I CB -1.018 36.988 38.000 0.011 0.000 1.064 379 I HN 0.234 nan 8.210 nan 0.000 0.414 380 K N 1.694 122.131 120.400 0.060 0.000 2.057 380 K HA -0.142 4.178 4.320 0.000 0.000 0.206 380 K C 1.752 178.397 176.600 0.074 0.000 1.050 380 K CA 1.420 57.781 56.287 0.123 0.000 0.935 380 K CB -0.087 32.568 32.500 0.257 0.000 0.715 380 K HN 0.310 nan 8.250 nan 0.000 0.439 381 E N 0.384 120.592 120.200 0.014 0.000 2.502 381 E HA -0.013 4.337 4.350 0.000 0.000 0.194 381 E C -0.393 176.208 176.600 0.002 0.000 1.062 381 E CA 0.128 56.530 56.400 0.003 0.000 0.867 381 E CB 0.155 29.830 29.700 -0.042 0.000 0.888 381 E HN 0.220 nan 8.360 nan 0.000 0.510 382 K N -0.887 119.518 120.400 0.008 0.000 3.230 382 K HA -0.197 4.123 4.320 0.000 0.000 0.285 382 K C 0.838 177.435 176.600 -0.005 0.000 1.196 382 K CA 0.333 56.627 56.287 0.012 0.000 0.838 382 K CB -1.840 30.673 32.500 0.021 0.000 1.262 382 K HN 0.029 nan 8.250 nan 0.000 0.492 383 V N 0.099 119.998 119.914 -0.025 0.000 2.488 383 V HA -0.051 4.070 4.120 0.000 0.000 0.246 383 V C 1.301 177.377 176.094 -0.030 0.000 1.046 383 V CA 1.878 64.158 62.300 -0.034 0.000 1.053 383 V CB -0.626 31.163 31.823 -0.056 0.000 0.679 383 V HN 0.454 nan 8.190 nan 0.000 0.458 384 I N -2.665 117.885 120.570 -0.034 0.000 3.145 384 I HA 0.736 4.906 4.170 0.000 0.000 0.313 384 I C -0.150 175.969 176.117 0.003 0.000 1.122 384 I CA -0.759 60.528 61.300 -0.022 0.000 0.987 384 I CB 2.132 40.107 38.000 -0.042 0.000 1.236 384 I HN -0.007 nan 8.210 nan 0.000 0.453 385 S N 0.652 116.365 115.700 0.023 0.000 2.617 385 S HA 0.332 4.802 4.470 0.000 0.000 0.283 385 S C 0.811 175.471 174.600 0.099 0.000 1.189 385 S CA -0.027 58.207 58.200 0.056 0.000 1.036 385 S CB 1.430 64.660 63.200 0.049 0.000 1.014 385 S HN 0.746 nan 8.310 nan 0.000 0.522 386 T N 2.038 116.687 114.554 0.158 0.000 2.653 386 T HA -0.178 4.172 4.350 0.000 0.000 0.268 386 T C 1.720 176.559 174.700 0.231 0.000 1.035 386 T CA 1.750 64.015 62.100 0.275 0.000 1.154 386 T CB -0.455 68.549 68.868 0.227 0.000 0.862 386 T HN 0.685 nan 8.240 nan 0.000 0.441 387 K N 0.360 120.839 120.400 0.133 0.000 2.044 387 K HA -0.125 4.195 4.320 0.000 0.000 0.210 387 K C 2.193 178.850 176.600 0.095 0.000 1.049 387 K CA 1.296 57.642 56.287 0.099 0.000 0.927 387 K CB -0.243 32.294 32.500 0.062 0.000 0.713 387 K HN 0.256 nan 8.250 nan 0.000 0.443 388 I N 0.465 121.080 120.570 0.074 0.000 2.233 388 I HA -0.127 4.043 4.170 0.000 0.000 0.243 388 I C 2.553 178.693 176.117 0.040 0.000 1.093 388 I CA 1.362 62.687 61.300 0.042 0.000 1.380 388 I CB -1.860 36.150 38.000 0.016 0.000 1.067 388 I HN 0.258 nan 8.210 nan 0.000 0.413 389 G N 1.013 109.840 108.800 0.045 0.000 2.469 389 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 389 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 389 G C 1.822 176.776 174.900 0.090 0.000 1.136 389 G CA 0.704 45.779 45.100 -0.041 0.000 0.759 389 G HN 0.353 nan 8.290 nan 0.000 0.562 390 K N -0.067 120.498 120.400 0.275 0.000 2.288 390 K HA 0.048 4.369 4.320 0.000 0.000 0.201 390 K C 2.336 179.025 176.600 0.147 0.000 1.048 390 K CA 0.732 57.194 56.287 0.293 0.000 0.956 390 K CB 0.049 32.691 32.500 0.237 0.000 0.746 390 K HN 0.396 nan 8.250 nan 0.000 0.461 391 E N 0.027 120.282 120.200 0.091 0.000 2.122 391 E HA -0.114 4.236 4.350 0.000 0.000 0.190 391 E C 2.001 178.618 176.600 0.029 0.000 0.977 391 E CA 1.037 57.468 56.400 0.051 0.000 0.820 391 E CB 0.292 30.014 29.700 0.036 0.000 0.770 391 E HN 0.186 nan 8.360 nan 0.000 0.462 392 V N -0.543 119.376 119.914 0.010 0.000 2.488 392 V HA -0.104 4.017 4.120 0.000 0.000 0.246 392 V C 2.169 178.252 176.094 -0.018 0.000 1.046 392 V CA 1.033 63.320 62.300 -0.022 0.000 1.053 392 V CB -0.434 31.355 31.823 -0.058 0.000 0.679 392 V HN 0.164 nan 8.190 nan 0.000 0.458 393 I N -0.073 120.498 120.570 0.001 0.000 2.361 393 I HA -0.195 3.976 4.170 0.000 0.000 0.251 393 I C 2.734 178.882 176.117 0.053 0.000 1.133 393 I CA 1.619 62.940 61.300 0.035 0.000 1.413 393 I CB -0.155 37.914 38.000 0.114 0.000 1.073 393 I HN 0.270 nan 8.210 nan 0.000 0.424 394 K N 0.023 120.457 120.400 0.056 0.000 2.148 394 K HA -0.204 4.117 4.320 0.000 0.000 0.204 394 K C 1.908 178.524 176.600 0.027 0.000 1.050 394 K CA 1.327 57.641 56.287 0.046 0.000 0.942 394 K CB -0.037 32.490 32.500 0.045 0.000 0.724 394 K HN 0.448 nan 8.250 nan 0.000 0.446 395 E N 0.097 120.306 120.200 0.014 0.000 2.276 395 E HA 0.026 4.376 4.350 0.000 0.000 0.193 395 E C 1.942 178.539 176.600 -0.006 0.000 0.983 395 E CA 0.003 56.404 56.400 0.002 0.000 0.861 395 E CB 0.221 29.917 29.700 -0.006 0.000 0.817 395 E HN 0.202 nan 8.360 nan 0.000 0.485 396 M N 0.142 119.735 119.600 -0.011 0.000 2.082 396 M HA -0.225 4.256 4.480 0.000 0.000 0.258 396 M C 2.280 178.590 176.300 0.016 0.000 1.069 396 M CA 1.428 56.718 55.300 -0.016 0.000 1.102 396 M CB -0.148 32.445 32.600 -0.012 0.000 1.336 396 M HN 0.045 nan 8.290 nan 0.000 0.404 397 V N -0.231 119.702 119.914 0.032 0.000 2.295 397 V HA -0.256 3.864 4.120 0.000 0.000 0.246 397 V C 2.150 178.261 176.094 0.029 0.000 1.049 397 V CA 2.109 64.434 62.300 0.040 0.000 1.024 397 V CB -0.579 31.269 31.823 0.042 0.000 0.648 397 V HN 0.435 nan 8.190 nan 0.000 0.447 398 E N 0.191 120.404 120.200 0.020 0.000 2.077 398 E HA -0.192 4.158 4.350 0.000 0.000 0.193 398 E C 2.271 178.878 176.600 0.011 0.000 0.989 398 E CA 2.145 58.554 56.400 0.015 0.000 0.800 398 E CB -0.159 29.547 29.700 0.011 0.000 0.746 398 E HN 0.810 nan 8.360 nan 0.000 0.452 399 T N -5.262 109.295 114.554 0.004 0.000 3.156 399 T HA 0.358 4.708 4.350 0.000 0.000 0.236 399 T C 1.590 176.291 174.700 0.001 0.000 0.978 399 T CA 0.785 62.884 62.100 -0.002 0.000 1.240 399 T CB 0.444 69.303 68.868 -0.015 0.000 0.951 399 T HN 0.293 nan 8.240 nan 0.000 0.420 400 G N 1.240 110.036 108.800 -0.007 0.000 2.205 400 G HA2 -0.101 3.859 3.960 0.000 0.000 0.180 400 G HA3 -0.101 3.859 3.960 0.000 0.000 0.180 400 G C -0.074 174.784 174.900 -0.071 0.000 1.004 400 G CA -0.153 44.947 45.100 -0.001 0.000 0.670 400 G HN 0.726 nan 8.290 nan 0.000 0.496 401 K N 1.653 121.995 120.400 -0.097 0.000 2.219 401 K HA 0.493 4.813 4.320 0.000 0.000 0.258 401 K C 0.888 177.321 176.600 -0.278 0.000 1.008 401 K CA 0.338 56.537 56.287 -0.147 0.000 0.928 401 K CB 0.455 32.898 32.500 -0.095 0.000 0.983 401 K HN 0.211 nan 8.250 nan 0.000 0.484 402 T N 2.000 116.360 114.554 -0.323 0.000 2.900 402 T HA 0.006 4.356 4.350 0.000 0.000 0.307 402 T C -1.821 172.740 174.700 -0.233 0.000 1.065 402 T CA -1.427 60.431 62.100 -0.403 0.000 1.105 402 T CB 0.396 69.115 68.868 -0.247 0.000 0.979 402 T HN 0.353 nan 8.240 nan 0.000 0.544 403 P HA -0.173 nan 4.420 nan 0.000 0.215 403 P C 1.901 179.131 177.300 -0.117 0.000 1.157 403 P CA 1.472 64.488 63.100 -0.141 0.000 0.874 403 P CB -0.154 31.465 31.700 -0.136 0.000 0.790 404 S N -1.484 114.151 115.700 -0.108 0.000 2.453 404 S HA -0.143 4.327 4.470 0.000 0.000 0.231 404 S C 2.051 176.605 174.600 -0.076 0.000 1.005 404 S CA 0.645 58.794 58.200 -0.086 0.000 0.949 404 S CB -1.044 62.111 63.200 -0.076 0.000 0.774 404 S HN 0.164 nan 8.310 nan 0.000 0.510 405 Q N 1.170 120.918 119.800 -0.087 0.000 1.993 405 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 405 Q C 2.317 178.279 176.000 -0.064 0.000 0.984 405 Q CA 2.036 57.794 55.803 -0.074 0.000 0.837 405 Q CB -0.472 28.212 28.738 -0.089 0.000 0.902 405 Q HN 0.847 nan 8.270 nan 0.000 0.423 406 I N -2.002 118.525 120.570 -0.072 0.000 2.676 406 I HA -0.125 4.045 4.170 0.000 0.000 0.259 406 I C 2.134 178.221 176.117 -0.049 0.000 1.194 406 I CA 0.366 61.632 61.300 -0.056 0.000 1.473 406 I CB -0.421 37.546 38.000 -0.055 0.000 1.096 406 I HN -0.046 nan 8.210 nan 0.000 0.443 407 V N 1.811 121.691 119.914 -0.057 0.000 2.295 407 V HA -0.290 3.830 4.120 0.000 0.000 0.246 407 V C 2.713 178.783 176.094 -0.040 0.000 1.049 407 V CA 2.539 64.808 62.300 -0.051 0.000 1.024 407 V CB -0.432 31.354 31.823 -0.062 0.000 0.648 407 V HN 0.551 nan 8.190 nan 0.000 0.447 408 E N -0.143 120.033 120.200 -0.040 0.000 2.046 408 E HA -0.218 4.132 4.350 0.000 0.000 0.190 408 E C 2.118 178.702 176.600 -0.027 0.000 0.982 408 E CA 1.195 57.576 56.400 -0.032 0.000 0.800 408 E CB -0.144 29.537 29.700 -0.032 0.000 0.756 408 E HN 0.647 nan 8.360 nan 0.000 0.449 409 E N -0.128 120.054 120.200 -0.029 0.000 2.333 409 E HA -0.177 4.174 4.350 0.000 0.000 0.200 409 E C 1.064 177.652 176.600 -0.020 0.000 1.010 409 E CA 0.865 57.250 56.400 -0.025 0.000 0.841 409 E CB 0.143 29.826 29.700 -0.027 0.000 0.757 409 E HN 0.092 nan 8.360 nan 0.000 0.508 410 K N -1.068 119.320 120.400 -0.021 0.000 2.553 410 K HA 0.176 4.496 4.320 0.000 0.000 0.205 410 K C -0.260 176.331 176.600 -0.016 0.000 1.168 410 K CA 0.347 56.624 56.287 -0.017 0.000 1.043 410 K CB 1.908 34.398 32.500 -0.017 0.000 0.967 410 K HN 0.149 nan 8.250 nan 0.000 0.585 411 G N 2.638 111.427 108.800 -0.018 0.000 2.767 411 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 411 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 411 G C -0.291 174.598 174.900 -0.018 0.000 1.213 411 G CA -0.468 44.622 45.100 -0.016 0.000 0.803 411 G HN 0.077 nan 8.290 nan 0.000 0.603 412 L N 0.000 121.212 121.223 -0.019 0.000 2.949 412 L HA 0.000 4.340 4.340 0.000 0.000 0.249 412 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 412 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502