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 3gsb_1_B DATA FIRST_RESID 7 DATA SEQUENCE FKTIKSDEIF AAAQKLMPGG VSSPVRAFKS VGGQPIVFDR VKDAYAWDVD DATA SEQUENCE GNRYIDYVGT WGPAICGHAH PEVIEALKVA MEKGTSFGAP CALENVLAEM DATA SEQUENCE VNDAVPSIEM VRFVNSGTEA CMAVLRLMRA YTGRDKIIKF EGCYHGHADM DATA SEQUENCE FLVKAGSGVA TLGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VMTGFRIAYG DATA SEQUENCE GVQEKFGVTP DLTTLGKIIG GGLPVGAYGG KREIMQLVAP AGPMYQAGTL DATA SEQUENCE SGNPLAMTAG IKTLELLRQP GTYEYLDQIT KRLSDGLLAI AQETGHAACG DATA SEQUENCE GQVSGMFGFF FTEGPVHNYE DAKKSDLQKF SRFHRGMLEQ GIYLAPSQFE DATA SEQUENCE AGFTSLAHTE EDIDATLAAA RTVMSAL 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 7 F HA 0.000 nan 4.527 nan 0.000 0.279 7 F C 0.000 175.828 175.800 0.047 0.000 0.967 7 F CA 0.000 58.017 58.000 0.028 0.000 1.383 7 F CB 0.000 39.021 39.000 0.036 0.000 1.145 8 K N 1.045 121.291 120.400 -0.257 0.000 2.138 8 K HA 0.771 5.654 4.320 0.939 0.000 0.263 8 K C -0.010 176.389 176.600 -0.334 0.000 0.965 8 K CA -0.241 55.923 56.287 -0.205 0.000 0.868 8 K CB 1.663 34.111 32.500 -0.087 0.000 1.083 8 K HN 0.348 nan 8.250 nan 0.000 0.443 9 T N 0.054 114.487 114.554 -0.201 0.000 3.339 9 T HA 0.195 5.108 4.350 0.939 0.000 0.292 9 T C 1.172 175.848 174.700 -0.041 0.000 1.012 9 T CA -0.545 61.469 62.100 -0.142 0.000 0.937 9 T CB -0.302 68.515 68.868 -0.085 0.000 1.164 9 T HN 0.479 nan 8.240 nan 0.000 0.509 10 I N 1.868 122.418 120.570 -0.033 0.000 2.068 10 I HA -0.182 4.551 4.170 0.939 0.000 0.238 10 I C 2.474 178.598 176.117 0.012 0.000 1.046 10 I CA 1.520 62.819 61.300 -0.001 0.000 1.306 10 I CB -0.942 37.056 38.000 -0.003 0.000 1.023 10 I HN 0.276 nan 8.210 nan 0.000 0.399 11 K N 0.735 121.138 120.400 0.006 0.000 2.063 11 K HA -0.078 4.806 4.320 0.939 0.000 0.208 11 K C 2.270 178.892 176.600 0.036 0.000 1.048 11 K CA 1.252 57.551 56.287 0.020 0.000 0.928 11 K CB -0.651 31.858 32.500 0.015 0.000 0.713 11 K HN 0.257 nan 8.250 nan 0.000 0.442 12 S N 1.536 117.254 115.700 0.030 0.000 2.419 12 S HA -0.112 4.921 4.470 0.939 0.000 0.233 12 S C 1.344 175.991 174.600 0.079 0.000 1.016 12 S CA 1.187 59.412 58.200 0.042 0.000 0.974 12 S CB -0.101 63.108 63.200 0.014 0.000 0.786 12 S HN 0.267 nan 8.310 nan 0.000 0.492 13 D N 1.457 121.903 120.400 0.077 0.000 2.103 13 D HA -0.106 5.097 4.640 0.939 0.000 0.199 13 D C 2.155 178.530 176.300 0.126 0.000 0.978 13 D CA 1.235 55.308 54.000 0.122 0.000 0.829 13 D CB -0.422 40.434 40.800 0.092 0.000 0.981 13 D HN 0.713 nan 8.370 nan 0.000 0.464 14 E N 0.832 121.078 120.200 0.077 0.000 2.150 14 E HA -0.127 4.787 4.350 0.939 0.000 0.193 14 E C 2.209 178.842 176.600 0.055 0.000 0.985 14 E CA 0.749 57.182 56.400 0.054 0.000 0.814 14 E CB -0.384 29.337 29.700 0.034 0.000 0.752 14 E HN 0.261 nan 8.360 nan 0.000 0.466 15 I N 0.199 120.815 120.570 0.077 0.000 2.233 15 I HA -0.164 4.570 4.170 0.939 0.000 0.243 15 I C 2.337 178.523 176.117 0.116 0.000 1.093 15 I CA 0.937 62.284 61.300 0.078 0.000 1.380 15 I CB -0.287 37.758 38.000 0.076 0.000 1.067 15 I HN 0.115 nan 8.210 nan 0.000 0.413 16 F N 2.024 121.970 119.950 -0.008 0.000 2.234 16 F HA -0.114 4.982 4.527 0.949 0.000 0.299 16 F C 2.360 178.159 175.800 -0.002 0.000 1.087 16 F CA 0.970 58.963 58.000 -0.012 0.000 1.340 16 F CB -0.370 38.617 39.000 -0.022 0.000 1.031 16 F HN -0.020 nan 8.300 nan 0.000 0.500 17 A N 0.611 123.384 122.820 -0.077 0.000 1.873 17 A HA -0.018 4.866 4.320 0.939 0.000 0.215 17 A C 2.493 179.979 177.584 -0.163 0.000 1.186 17 A CA 1.804 53.741 52.037 -0.166 0.000 0.616 17 A CB -1.589 17.393 19.000 -0.030 0.000 0.823 17 A HN 0.464 nan 8.150 nan 0.000 0.442 18 A N -0.025 122.746 122.820 -0.081 0.000 1.908 18 A HA 0.093 4.976 4.320 0.939 0.000 0.218 18 A C 2.530 180.061 177.584 -0.089 0.000 1.181 18 A CA 2.370 54.370 52.037 -0.062 0.000 0.627 18 A CB -1.156 17.830 19.000 -0.023 0.000 0.818 18 A HN 1.156 nan 8.150 nan 0.000 0.445 19 A N -0.610 122.147 122.820 -0.104 0.000 1.917 19 A HA -0.290 4.594 4.320 0.939 0.000 0.219 19 A C 2.064 179.554 177.584 -0.156 0.000 1.182 19 A CA 1.882 53.858 52.037 -0.101 0.000 0.633 19 A CB -0.727 18.242 19.000 -0.051 0.000 0.819 19 A HN 0.672 nan 8.150 nan 0.000 0.448 20 Q N -0.577 119.048 119.800 -0.291 0.000 2.297 20 Q HA -0.178 4.725 4.340 0.939 0.000 0.208 20 Q C 1.830 177.748 176.000 -0.136 0.000 0.981 20 Q CA 1.621 57.271 55.803 -0.255 0.000 0.876 20 Q CB -0.163 28.366 28.738 -0.349 0.000 0.921 20 Q HN 0.687 nan 8.270 nan 0.000 0.446 21 K N -0.524 119.811 120.400 -0.109 0.000 2.243 21 K HA -0.026 4.858 4.320 0.939 0.000 0.201 21 K C 1.392 177.964 176.600 -0.047 0.000 1.051 21 K CA 0.434 56.681 56.287 -0.066 0.000 0.970 21 K CB 0.335 32.803 32.500 -0.054 0.000 0.755 21 K HN 0.071 nan 8.250 nan 0.000 0.465 22 L N -0.055 121.140 121.223 -0.047 0.000 2.298 22 L HA 0.221 5.125 4.340 0.939 0.000 0.209 22 L C 0.754 177.612 176.870 -0.020 0.000 1.084 22 L CA 1.146 55.969 54.840 -0.027 0.000 0.816 22 L CB -0.389 41.658 42.059 -0.020 0.000 0.967 22 L HN 0.118 nan 8.230 nan 0.000 0.460 23 M N -1.124 118.459 119.600 -0.027 0.000 2.619 23 M HA 0.417 5.461 4.480 0.939 0.000 0.297 23 M C -2.418 173.872 176.300 -0.016 0.000 1.229 23 M CA -1.718 53.574 55.300 -0.013 0.000 0.860 23 M CB 1.907 34.507 32.600 -0.001 0.000 1.741 23 M HN -0.332 nan 8.290 nan 0.000 0.462 24 P HA 0.102 nan 4.420 nan 0.000 0.261 24 P C 0.764 178.068 177.300 0.008 0.000 1.203 24 P CA 1.095 64.195 63.100 0.000 0.000 0.767 24 P CB 0.162 31.866 31.700 0.007 0.000 0.785 25 G N 3.549 112.349 108.800 0.001 0.000 2.189 25 G HA2 -0.225 4.299 3.960 0.939 0.000 0.267 25 G HA3 -0.225 4.299 3.960 0.939 0.000 0.267 25 G C 0.923 175.834 174.900 0.018 0.000 0.975 25 G CA 0.431 45.547 45.100 0.026 0.000 0.644 25 G HN 1.029 nan 8.290 nan 0.000 0.537 26 G N -2.273 106.509 108.800 -0.029 0.000 2.143 26 G HA2 0.141 4.664 3.960 0.939 0.000 0.248 26 G HA3 0.141 4.664 3.960 0.939 0.000 0.248 26 G C 0.926 175.892 174.900 0.110 0.000 0.991 26 G CA 1.677 46.743 45.100 -0.057 0.000 0.689 26 G HN 2.426 nan 8.290 nan 0.000 0.522 27 V N -5.087 114.890 119.914 0.106 0.000 3.165 27 V HA 0.943 5.627 4.120 0.939 0.000 0.309 27 V C 0.705 176.825 176.094 0.044 0.000 1.267 27 V CA 0.395 62.756 62.300 0.102 0.000 1.067 27 V CB 1.399 33.297 31.823 0.124 0.000 1.082 27 V HN 0.280 nan 8.190 nan 0.000 0.451 28 S N -0.246 115.469 115.700 0.024 0.000 2.526 28 S HA 0.398 5.431 4.470 0.939 0.000 0.220 28 S C 0.549 175.126 174.600 -0.037 0.000 1.017 28 S CA 0.660 58.860 58.200 0.000 0.000 0.930 28 S CB 0.309 63.515 63.200 0.009 0.000 0.856 28 S HN 0.986 nan 8.310 nan 0.000 0.497 29 S N 0.658 116.327 115.700 -0.051 0.000 2.548 29 S HA 0.462 5.495 4.470 0.939 0.000 0.276 29 S C -2.444 172.102 174.600 -0.090 0.000 1.129 29 S CA -1.457 56.672 58.200 -0.118 0.000 0.931 29 S CB 1.464 64.562 63.200 -0.170 0.000 1.068 29 S HN -0.161 nan 8.310 nan 0.000 0.480 30 P HA -0.117 nan 4.420 nan 0.000 0.215 30 P C 1.489 178.762 177.300 -0.046 0.000 1.157 30 P CA 0.745 63.807 63.100 -0.063 0.000 0.874 30 P CB 0.095 31.743 31.700 -0.087 0.000 0.790 31 V N -0.074 119.768 119.914 -0.120 0.000 2.688 31 V HA -0.245 4.438 4.120 0.939 0.000 0.256 31 V C 2.024 178.163 176.094 0.075 0.000 1.084 31 V CA 1.711 63.963 62.300 -0.080 0.000 1.103 31 V CB -0.846 30.829 31.823 -0.247 0.000 0.688 31 V HN 0.096 nan 8.190 nan 0.000 0.480 32 R N -0.090 120.452 120.500 0.071 0.000 2.307 32 R HA 0.101 5.004 4.340 0.939 0.000 0.199 32 R C 2.089 178.447 176.300 0.096 0.000 1.000 32 R CA 0.866 57.046 56.100 0.134 0.000 1.023 32 R CB -0.334 30.002 30.300 0.060 0.000 0.908 32 R HN 0.538 nan 8.270 nan 0.000 0.473 33 A N 0.482 123.375 122.820 0.122 0.000 2.168 33 A HA -0.057 4.827 4.320 0.939 0.000 0.215 33 A C 0.376 178.065 177.584 0.174 0.000 1.152 33 A CA 0.298 52.410 52.037 0.125 0.000 0.716 33 A CB -0.328 18.778 19.000 0.176 0.000 0.794 33 A HN 0.377 nan 8.150 nan 0.000 0.465 34 F N -1.846 118.066 119.950 -0.063 0.000 2.973 34 F HA -0.269 4.879 4.527 1.036 0.000 0.299 34 F C 1.483 177.262 175.800 -0.034 0.000 0.737 34 F CA 0.841 58.799 58.000 -0.069 0.000 1.151 34 F CB -1.582 37.354 39.000 -0.106 0.000 1.440 34 F HN 0.229 nan 8.300 nan 0.000 0.367 35 K N -0.501 119.976 120.400 0.129 0.000 2.160 35 K HA -0.102 4.781 4.320 0.939 0.000 0.206 35 K C 1.868 178.487 176.600 0.032 0.000 1.047 35 K CA 1.567 57.905 56.287 0.085 0.000 0.930 35 K CB -0.337 32.210 32.500 0.079 0.000 0.720 35 K HN 0.387 nan 8.250 nan 0.000 0.450 36 S N 0.192 115.879 115.700 -0.022 0.000 2.496 36 S HA 0.002 5.036 4.470 0.939 0.000 0.224 36 S C 1.163 175.716 174.600 -0.079 0.000 0.996 36 S CA 0.246 58.416 58.200 -0.049 0.000 0.927 36 S CB 0.447 63.598 63.200 -0.082 0.000 0.774 36 S HN -0.048 nan 8.310 nan 0.000 0.524 37 V N 1.227 121.046 119.914 -0.159 0.000 2.759 37 V HA 0.513 5.196 4.120 0.939 0.000 0.342 37 V C 1.026 177.071 176.094 -0.082 0.000 1.228 37 V CA 0.354 62.535 62.300 -0.198 0.000 1.302 37 V CB -0.249 31.214 31.823 -0.600 0.000 1.496 37 V HN 0.540 nan 8.190 nan 0.000 0.628 38 G N 0.762 109.572 108.800 0.018 0.000 2.349 38 G HA2 -0.054 4.469 3.960 0.939 0.000 0.213 38 G HA3 -0.054 4.469 3.960 0.939 0.000 0.213 38 G C 1.165 176.137 174.900 0.121 0.000 1.044 38 G CA 0.236 45.385 45.100 0.081 0.000 0.633 38 G HN 1.809 nan 8.290 nan 0.000 0.506 39 G N -1.193 107.701 108.800 0.157 0.000 2.159 39 G HA2 -0.107 4.417 3.960 0.939 0.000 0.227 39 G HA3 -0.107 4.417 3.960 0.939 0.000 0.227 39 G C 0.049 175.049 174.900 0.167 0.000 0.986 39 G CA 0.998 46.207 45.100 0.181 0.000 0.651 39 G HN 1.258 nan 8.290 nan 0.000 0.523 40 Q N 0.808 120.721 119.800 0.188 0.000 2.523 40 Q HA 0.384 5.288 4.340 0.939 0.000 0.251 40 Q C -2.535 173.389 176.000 -0.127 0.000 1.033 40 Q CA -1.463 54.364 55.803 0.040 0.000 0.746 40 Q CB 2.150 30.964 28.738 0.126 0.000 1.189 40 Q HN 0.336 nan 8.270 nan 0.000 0.508 41 P HA 0.237 nan 4.420 nan 0.000 0.272 41 P C -0.011 176.895 177.300 -0.656 0.000 1.240 41 P CA -0.332 62.018 63.100 -1.250 0.000 0.791 41 P CB 0.636 31.617 31.700 -1.198 0.000 0.978 42 I N -2.117 118.125 120.570 -0.547 0.000 2.562 42 I HA 0.598 5.331 4.170 0.939 0.000 0.301 42 I C -0.933 175.110 176.117 -0.123 0.000 1.003 42 I CA -1.289 59.917 61.300 -0.156 0.000 1.127 42 I CB 2.024 40.052 38.000 0.046 0.000 1.304 42 I HN -0.096 nan 8.210 nan 0.000 0.446 43 V N 5.506 125.424 119.914 0.006 0.000 2.394 43 V HA 0.367 5.051 4.120 0.939 0.000 0.282 43 V C -0.099 176.151 176.094 0.261 0.000 1.031 43 V CA -0.329 62.006 62.300 0.059 0.000 0.881 43 V CB 0.945 32.799 31.823 0.051 0.000 0.982 43 V HN 0.467 nan 8.190 nan 0.000 0.451 44 F N 2.642 122.549 119.950 -0.071 0.000 2.382 44 F HA 0.307 5.396 4.527 0.937 0.000 0.331 44 F C 1.056 176.852 175.800 -0.006 0.000 1.121 44 F CA -0.864 57.105 58.000 -0.052 0.000 1.183 44 F CB 1.118 40.062 39.000 -0.094 0.000 1.207 44 F HN 0.671 nan 8.300 nan 0.000 0.555 45 D N -0.229 120.270 120.400 0.165 0.000 2.531 45 D HA 0.153 5.356 4.640 0.939 0.000 0.263 45 D C -0.284 176.051 176.300 0.058 0.000 1.057 45 D CA 0.231 54.284 54.000 0.089 0.000 0.909 45 D CB 0.737 41.565 40.800 0.048 0.000 1.236 45 D HN 0.556 nan 8.370 nan 0.000 0.494 46 R N -0.495 120.037 120.500 0.054 0.000 2.664 46 R HA 0.545 5.449 4.340 0.939 0.000 0.266 46 R C -1.699 174.652 176.300 0.084 0.000 1.046 46 R CA -1.014 55.112 56.100 0.044 0.000 0.885 46 R CB 1.189 31.467 30.300 -0.036 0.000 1.254 46 R HN -0.073 nan 8.270 nan 0.000 0.465 47 V N -1.401 118.530 119.914 0.029 0.000 2.789 47 V HA 0.864 5.548 4.120 0.939 0.000 0.311 47 V C -0.821 175.357 176.094 0.140 0.000 1.073 47 V CA -0.855 61.404 62.300 -0.067 0.000 0.921 47 V CB 1.880 33.274 31.823 -0.715 0.000 1.009 47 V HN 1.012 nan 8.190 nan 0.000 0.426 48 K N 2.347 122.932 120.400 0.308 0.000 2.557 48 K HA 0.490 5.374 4.320 0.939 0.000 0.257 48 K C -0.421 176.349 176.600 0.284 0.000 0.933 48 K CA -0.077 56.398 56.287 0.313 0.000 0.820 48 K CB 1.870 34.574 32.500 0.340 0.000 1.330 48 K HN 0.914 nan 8.250 nan 0.000 0.432 49 D N 1.376 121.866 120.400 0.149 0.000 4.134 49 D HA -0.299 4.905 4.640 0.939 0.000 0.141 49 D C 0.345 176.529 176.300 -0.194 0.000 0.779 49 D CA 2.436 56.437 54.000 0.001 0.000 1.126 49 D CB -1.108 39.748 40.800 0.093 0.000 0.523 49 D HN 0.648 nan 8.370 nan 0.000 0.513 50 A N 0.105 122.593 122.820 -0.554 0.000 2.503 50 A HA 0.415 5.299 4.320 0.939 0.000 0.263 50 A C -0.371 176.605 177.584 -1.013 0.000 1.258 50 A CA -0.009 51.419 52.037 -1.015 0.000 0.936 50 A CB 0.074 18.131 19.000 -1.572 0.000 1.070 50 A HN 0.335 nan 8.150 nan 0.000 0.522 51 Y N -1.613 118.567 120.300 -0.199 0.000 2.598 51 Y HA 0.759 5.872 4.550 0.939 0.000 0.340 51 Y C 0.413 176.055 175.900 -0.430 0.000 1.038 51 Y CA -0.874 56.992 58.100 -0.389 0.000 1.100 51 Y CB 1.524 39.581 38.460 -0.672 0.000 1.281 51 Y HN 0.136 nan 8.280 nan 0.000 0.488 52 A N 0.583 123.106 122.820 -0.495 0.000 2.479 52 A HA 0.820 5.704 4.320 0.939 0.000 0.296 52 A C -2.057 175.148 177.584 -0.632 0.000 1.121 52 A CA -0.665 51.006 52.037 -0.609 0.000 0.743 52 A CB 1.580 19.989 19.000 -0.986 0.000 1.323 52 A HN 0.721 nan 8.150 nan 0.000 0.415 53 W N 0.969 121.991 121.300 -0.464 0.000 3.042 53 W HA 0.269 5.495 4.660 0.944 0.000 0.337 53 W C -1.189 175.208 176.519 -0.203 0.000 1.086 53 W CA -0.641 56.569 57.345 -0.225 0.000 1.236 53 W CB 1.922 31.285 29.460 -0.161 0.000 1.381 53 W HN 0.758 nan 8.180 nan 0.000 0.472 54 D N 0.697 121.212 120.400 0.192 0.000 2.354 54 D HA 0.019 5.223 4.640 0.939 0.000 0.238 54 D C 1.003 177.377 176.300 0.123 0.000 1.250 54 D CA 0.226 54.330 54.000 0.173 0.000 0.911 54 D CB 1.630 42.536 40.800 0.176 0.000 1.163 54 D HN 0.006 nan 8.370 nan 0.000 0.456 55 V N 1.127 121.099 119.914 0.098 0.000 3.573 55 V HA -0.056 4.627 4.120 0.939 0.000 0.270 55 V C 1.083 177.198 176.094 0.035 0.000 1.221 55 V CA 1.024 63.361 62.300 0.061 0.000 1.163 55 V CB -0.237 31.622 31.823 0.060 0.000 0.847 55 V HN 0.410 nan 8.190 nan 0.000 0.468 56 D N -0.095 120.325 120.400 0.035 0.000 2.449 56 D HA 0.228 5.432 4.640 0.939 0.000 0.210 56 D C 1.746 178.048 176.300 0.004 0.000 1.094 56 D CA 1.104 55.103 54.000 -0.001 0.000 0.846 56 D CB 1.467 42.238 40.800 -0.048 0.000 1.003 56 D HN 0.456 nan 8.370 nan 0.000 0.504 57 G N 1.361 110.190 108.800 0.049 0.000 2.184 57 G HA2 -0.220 4.304 3.960 0.939 0.000 0.206 57 G HA3 -0.220 4.304 3.960 0.939 0.000 0.206 57 G C 0.037 175.000 174.900 0.105 0.000 0.995 57 G CA -0.480 44.662 45.100 0.071 0.000 0.651 57 G HN 0.272 nan 8.290 nan 0.000 0.511 58 N N 0.386 119.116 118.700 0.049 0.000 2.530 58 N HA 0.512 5.815 4.740 0.939 0.000 0.273 58 N C 0.161 175.542 175.510 -0.215 0.000 1.173 58 N CA -0.271 52.724 53.050 -0.091 0.000 0.967 58 N CB 0.817 39.209 38.487 -0.158 0.000 1.109 58 N HN 0.384 nan 8.380 nan 0.000 0.453 59 R N 2.057 122.289 120.500 -0.445 0.000 2.460 59 R HA 0.364 5.267 4.340 0.939 0.000 0.303 59 R C -1.411 174.433 176.300 -0.759 0.000 0.968 59 R CA -0.425 55.229 56.100 -0.743 0.000 0.889 59 R CB 0.575 30.493 30.300 -0.638 0.000 1.123 59 R HN 0.545 nan 8.270 nan 0.000 0.455 60 Y N 2.879 122.944 120.300 -0.392 0.000 2.570 60 Y HA 0.460 5.575 4.550 0.942 0.000 0.345 60 Y C 0.091 175.929 175.900 -0.103 0.000 1.014 60 Y CA -0.959 57.057 58.100 -0.141 0.000 1.063 60 Y CB 1.826 40.250 38.460 -0.059 0.000 1.272 60 Y HN 0.353 nan 8.280 nan 0.000 0.477 61 I N 2.064 122.747 120.570 0.187 0.000 2.312 61 I HA 0.167 4.901 4.170 0.939 0.000 0.290 61 I C -0.692 175.469 176.117 0.074 0.000 1.008 61 I CA -0.532 60.807 61.300 0.065 0.000 1.226 61 I CB 0.931 39.025 38.000 0.156 0.000 1.371 61 I HN 0.530 nan 8.210 nan 0.000 0.468 62 D N 5.160 125.494 120.400 -0.109 0.000 2.308 62 D HA 0.152 5.356 4.640 0.939 0.000 0.251 62 D C -0.279 175.865 176.300 -0.261 0.000 1.127 62 D CA 0.325 54.334 54.000 0.016 0.000 0.876 62 D CB 0.805 41.677 40.800 0.119 0.000 1.176 62 D HN 0.321 nan 8.370 nan 0.000 0.446 63 Y N 1.680 122.134 120.300 0.258 0.000 2.588 63 Y HA 0.137 5.250 4.550 0.939 0.000 0.247 63 Y C 1.564 177.543 175.900 0.133 0.000 1.157 63 Y CA -0.170 58.035 58.100 0.175 0.000 1.215 63 Y CB 0.772 39.321 38.460 0.147 0.000 1.245 63 Y HN 0.262 nan 8.280 nan 0.000 0.534 64 V N -1.378 118.652 119.914 0.194 0.000 2.795 64 V HA 0.170 4.854 4.120 0.939 0.000 0.243 64 V C 1.779 177.868 176.094 -0.007 0.000 1.069 64 V CA 0.898 63.186 62.300 -0.020 0.000 1.089 64 V CB -0.631 31.073 31.823 -0.197 0.000 0.756 64 V HN 0.440 nan 8.190 nan 0.000 0.471 65 G N 1.159 109.996 108.800 0.062 0.000 2.421 65 G HA2 -0.377 4.146 3.960 0.939 0.000 0.300 65 G HA3 -0.377 4.146 3.960 0.939 0.000 0.300 65 G C 0.604 175.488 174.900 -0.027 0.000 0.974 65 G CA 1.338 46.431 45.100 -0.012 0.000 1.062 65 G HN 0.764 nan 8.290 nan 0.000 0.514 66 T N -2.269 112.284 114.554 -0.001 0.000 4.210 66 T HA -0.299 4.615 4.350 0.939 0.000 0.329 66 T C 1.080 175.782 174.700 0.002 0.000 0.793 66 T CA 2.139 64.237 62.100 -0.005 0.000 1.935 66 T CB -1.703 67.267 68.868 0.171 0.000 1.918 66 T HN 2.077 nan 8.240 nan 0.000 0.875 67 W N -2.738 118.601 121.300 0.066 0.000 3.294 67 W HA -0.110 5.099 4.660 0.915 0.000 0.333 67 W C 1.266 177.580 176.519 -0.341 0.000 1.285 67 W CA 0.658 57.998 57.345 -0.009 0.000 0.650 67 W CB -1.916 27.587 29.460 0.071 0.000 2.374 67 W HN 1.212 nan 8.180 nan 0.000 1.248 68 G N -3.814 104.647 108.800 -0.565 0.000 2.697 68 G HA2 -0.263 4.261 3.960 0.939 0.000 0.200 68 G HA3 -0.263 4.261 3.960 0.939 0.000 0.200 68 G C -0.568 174.177 174.900 -0.257 0.000 1.106 68 G CA 0.021 44.726 45.100 -0.658 0.000 0.748 68 G HN 0.169 nan 8.290 nan 0.000 0.503 69 P HA 0.096 nan 4.420 nan 0.000 0.216 69 P C 1.499 178.781 177.300 -0.029 0.000 1.153 69 P CA 2.318 65.406 63.100 -0.020 0.000 0.858 69 P CB -0.103 31.617 31.700 0.034 0.000 0.789 70 A N -1.058 121.730 122.820 -0.055 0.000 2.810 70 A HA 0.070 4.954 4.320 0.939 0.000 0.247 70 A C 1.594 179.124 177.584 -0.089 0.000 1.576 70 A CA -0.157 51.831 52.037 -0.083 0.000 1.294 70 A CB -1.945 16.938 19.000 -0.194 0.000 0.976 70 A HN 0.185 nan 8.150 nan 0.000 0.631 71 I N -1.122 119.427 120.570 -0.035 0.000 2.208 71 I HA -0.286 4.447 4.170 0.939 0.000 0.245 71 I C 1.857 177.979 176.117 0.008 0.000 1.097 71 I CA 1.855 63.160 61.300 0.009 0.000 1.363 71 I CB 0.056 38.088 38.000 0.054 0.000 1.051 71 I HN 0.461 nan 8.210 nan 0.000 0.413 72 C N 2.217 121.518 119.300 0.001 0.000 2.522 72 C HA 0.382 5.405 4.460 0.939 0.000 0.271 72 C C 1.092 176.123 174.990 0.069 0.000 1.425 72 C CA 0.524 59.563 59.018 0.034 0.000 1.751 72 C CB -2.097 25.649 27.740 0.009 0.000 1.775 72 C HN 0.835 nan 8.230 nan 0.000 0.557 73 G N -0.867 107.922 108.800 -0.019 0.000 2.617 73 G HA2 -0.046 4.478 3.960 0.939 0.000 0.686 73 G HA3 -0.046 4.478 3.960 0.939 0.000 0.686 73 G C -0.955 173.906 174.900 -0.066 0.000 1.214 73 G CA -0.947 44.096 45.100 -0.096 0.000 0.796 73 G HN 0.556 nan 8.290 nan 0.000 0.654 74 H N 0.296 119.362 119.070 -0.007 0.000 2.815 74 H HA 0.444 5.562 4.556 0.937 0.000 0.350 74 H C 1.295 176.644 175.328 0.034 0.000 1.080 74 H CA 1.183 57.246 56.048 0.024 0.000 1.433 74 H CB 1.157 30.936 29.762 0.027 0.000 1.432 74 H HN 2.138 nan 8.280 nan 0.000 0.592 75 A N 2.078 125.017 122.820 0.198 0.000 2.739 75 A HA -0.248 4.635 4.320 0.939 0.000 0.296 75 A C 0.277 177.909 177.584 0.080 0.000 1.488 75 A CA 0.502 52.610 52.037 0.117 0.000 0.746 75 A CB -2.386 16.670 19.000 0.093 0.000 1.047 75 A HN 0.832 nan 8.150 nan 0.000 0.477 76 H N 0.175 119.265 119.070 0.033 0.000 3.107 76 H HA 0.121 5.240 4.556 0.939 0.000 0.301 76 H C -1.022 174.308 175.328 0.003 0.000 0.981 76 H CA -0.388 55.665 56.048 0.008 0.000 1.443 76 H CB 0.636 30.393 29.762 -0.010 0.000 1.479 76 H HN 0.234 nan 8.280 nan 0.000 0.564 77 P HA -0.194 nan 4.420 nan 0.000 0.216 77 P C 1.017 178.411 177.300 0.157 0.000 1.157 77 P CA 1.786 64.905 63.100 0.031 0.000 0.880 77 P CB 0.292 31.951 31.700 -0.068 0.000 0.791 78 E N -1.070 119.349 120.200 0.365 0.000 2.208 78 E HA -0.070 4.843 4.350 0.939 0.000 0.193 78 E C 1.893 178.540 176.600 0.078 0.000 0.988 78 E CA 0.673 57.178 56.400 0.174 0.000 0.828 78 E CB -0.343 29.417 29.700 0.101 0.000 0.763 78 E HN 0.091 nan 8.360 nan 0.000 0.478 79 V N 2.020 121.999 119.914 0.108 0.000 2.407 79 V HA -0.182 4.502 4.120 0.939 0.000 0.245 79 V C 2.359 178.476 176.094 0.038 0.000 1.041 79 V CA 1.483 63.799 62.300 0.026 0.000 1.040 79 V CB -0.385 31.451 31.823 0.022 0.000 0.671 79 V HN 0.370 nan 8.190 nan 0.000 0.455 80 I N -1.277 119.331 120.570 0.064 0.000 2.500 80 I HA -0.093 4.640 4.170 0.939 0.000 0.252 80 I C 2.305 178.436 176.117 0.023 0.000 1.142 80 I CA 1.771 63.094 61.300 0.038 0.000 1.451 80 I CB -0.499 37.524 38.000 0.038 0.000 1.093 80 I HN 0.338 nan 8.210 nan 0.000 0.430 81 E N 2.144 122.361 120.200 0.028 0.000 2.106 81 E HA -0.218 4.696 4.350 0.939 0.000 0.192 81 E C 2.242 178.847 176.600 0.009 0.000 0.984 81 E CA 1.423 57.834 56.400 0.017 0.000 0.806 81 E CB -0.042 29.670 29.700 0.020 0.000 0.750 81 E HN 0.638 nan 8.360 nan 0.000 0.458 82 A N 1.336 124.160 122.820 0.006 0.000 1.940 82 A HA -0.147 4.737 4.320 0.939 0.000 0.219 82 A C 2.285 179.862 177.584 -0.011 0.000 1.176 82 A CA 1.157 53.190 52.037 -0.007 0.000 0.631 82 A CB -0.597 18.392 19.000 -0.018 0.000 0.814 82 A HN 0.312 nan 8.150 nan 0.000 0.446 83 L N -0.783 120.434 121.223 -0.009 0.000 2.156 83 L HA -0.132 4.771 4.340 0.939 0.000 0.208 83 L C 2.408 179.274 176.870 -0.006 0.000 1.095 83 L CA 1.183 56.015 54.840 -0.013 0.000 0.770 83 L CB -0.362 41.692 42.059 -0.009 0.000 0.914 83 L HN 0.344 nan 8.230 nan 0.000 0.439 84 K N -0.362 120.038 120.400 0.000 0.000 2.148 84 K HA -0.079 4.805 4.320 0.939 0.000 0.204 84 K C 2.056 178.658 176.600 0.004 0.000 1.050 84 K CA 0.893 57.182 56.287 0.003 0.000 0.942 84 K CB -0.141 32.361 32.500 0.004 0.000 0.724 84 K HN 0.152 nan 8.250 nan 0.000 0.446 85 V N 1.468 121.384 119.914 0.003 0.000 2.379 85 V HA -0.164 4.519 4.120 0.939 0.000 0.245 85 V C 2.327 178.427 176.094 0.009 0.000 1.044 85 V CA 1.908 64.211 62.300 0.006 0.000 1.036 85 V CB -0.340 31.485 31.823 0.003 0.000 0.664 85 V HN 0.311 nan 8.190 nan 0.000 0.453 86 A N 0.608 123.429 122.820 0.002 0.000 2.014 86 A HA -0.153 4.731 4.320 0.939 0.000 0.218 86 A C 2.181 179.773 177.584 0.013 0.000 1.163 86 A CA 1.667 53.706 52.037 0.002 0.000 0.652 86 A CB -0.468 18.517 19.000 -0.026 0.000 0.808 86 A HN 0.666 nan 8.150 nan 0.000 0.449 87 M N 0.060 119.666 119.600 0.009 0.000 2.549 87 M HA -0.058 4.985 4.480 0.939 0.000 0.260 87 M C 1.255 177.577 176.300 0.036 0.000 1.076 87 M CA 1.813 57.124 55.300 0.019 0.000 1.090 87 M CB -0.736 31.870 32.600 0.010 0.000 1.418 87 M HN 0.534 nan 8.290 nan 0.000 0.486 88 E N 1.622 121.843 120.200 0.035 0.000 2.427 88 E HA -0.066 4.848 4.350 0.939 0.000 0.196 88 E C 0.874 177.508 176.600 0.057 0.000 1.028 88 E CA 0.522 56.944 56.400 0.038 0.000 0.864 88 E CB -0.277 29.438 29.700 0.026 0.000 0.813 88 E HN 0.644 nan 8.360 nan 0.000 0.514 89 K N 1.133 121.585 120.400 0.087 0.000 2.446 89 K HA 0.205 5.089 4.320 0.939 0.000 0.203 89 K C 0.216 176.954 176.600 0.231 0.000 1.027 89 K CA 0.306 56.675 56.287 0.138 0.000 1.166 89 K CB 0.929 33.537 32.500 0.180 0.000 0.869 89 K HN 0.238 nan 8.250 nan 0.000 0.504 90 G N 0.821 109.724 108.800 0.172 0.000 2.690 90 G HA2 -0.248 4.275 3.960 0.939 0.000 0.686 90 G HA3 -0.248 4.275 3.960 0.939 0.000 0.686 90 G C 0.412 175.415 174.900 0.171 0.000 1.277 90 G CA -0.199 45.026 45.100 0.209 0.000 0.799 90 G HN 0.127 nan 8.290 nan 0.000 0.613 91 T N -3.057 111.561 114.554 0.107 0.000 2.990 91 T HA 0.609 5.522 4.350 0.939 0.000 0.249 91 T C 1.003 175.673 174.700 -0.049 0.000 1.039 91 T CA 1.313 63.416 62.100 0.006 0.000 1.036 91 T CB 0.614 69.486 68.868 0.007 0.000 0.994 91 T HN 1.568 nan 8.240 nan 0.000 0.489 92 S N 0.018 115.753 115.700 0.058 0.000 2.672 92 S HA 0.642 5.675 4.470 0.939 0.000 0.291 92 S C -0.598 174.184 174.600 0.302 0.000 1.145 92 S CA -0.785 57.450 58.200 0.057 0.000 1.013 92 S CB 0.708 63.941 63.200 0.055 0.000 1.017 92 S HN 0.135 nan 8.310 nan 0.000 0.487 93 F N 2.510 122.463 119.950 0.004 0.000 2.222 93 F HA 0.361 5.452 4.527 0.940 0.000 0.285 93 F C 2.329 178.135 175.800 0.010 0.000 1.068 93 F CA 0.970 58.974 58.000 0.006 0.000 1.265 93 F CB -0.974 38.029 39.000 0.005 0.000 1.087 93 F HN 0.834 nan 8.300 nan 0.000 0.511 94 G N -0.297 108.637 108.800 0.225 0.000 2.213 94 G HA2 -0.014 4.510 3.960 0.939 0.000 0.226 94 G HA3 -0.014 4.510 3.960 0.939 0.000 0.226 94 G C 0.278 175.248 174.900 0.116 0.000 0.992 94 G CA 0.169 45.346 45.100 0.129 0.000 0.632 94 G HN 0.717 nan 8.290 nan 0.000 0.511 95 A N -0.128 122.788 122.820 0.160 0.000 2.387 95 A HA 0.955 5.839 4.320 0.939 0.000 0.298 95 A C -2.331 175.345 177.584 0.154 0.000 1.165 95 A CA -1.034 51.077 52.037 0.123 0.000 0.814 95 A CB 0.718 19.770 19.000 0.088 0.000 1.357 95 A HN 0.134 nan 8.150 nan 0.000 0.443 96 P HA 0.445 nan 4.420 nan 0.000 0.271 96 P C -0.594 176.804 177.300 0.164 0.000 1.244 96 P CA -0.088 63.078 63.100 0.109 0.000 0.793 96 P CB 0.288 32.034 31.700 0.076 0.000 0.984 97 C N -2.437 116.941 119.300 0.129 0.000 3.239 97 C HA 0.766 5.790 4.460 0.939 0.000 0.329 97 C C 1.369 176.408 174.990 0.080 0.000 1.252 97 C CA -0.089 59.022 59.018 0.155 0.000 1.323 97 C CB 0.799 28.613 27.740 0.123 0.000 1.663 97 C HN 0.661 nan 8.230 nan 0.000 0.487 98 A N 1.024 123.891 122.820 0.078 0.000 2.024 98 A HA -0.015 4.868 4.320 0.939 0.000 0.220 98 A C 1.809 179.408 177.584 0.026 0.000 1.164 98 A CA 1.781 53.847 52.037 0.049 0.000 0.643 98 A CB -0.509 18.519 19.000 0.047 0.000 0.806 98 A HN 0.984 nan 8.150 nan 0.000 0.451 99 L N 0.168 121.391 121.223 0.000 0.000 2.079 99 L HA -0.197 4.706 4.340 0.939 0.000 0.210 99 L C 2.342 179.188 176.870 -0.040 0.000 1.081 99 L CA 2.091 56.908 54.840 -0.038 0.000 0.752 99 L CB -1.196 40.809 42.059 -0.090 0.000 0.896 99 L HN 0.526 nan 8.230 nan 0.000 0.433 100 E N -0.835 119.353 120.200 -0.020 0.000 2.085 100 E HA -0.250 4.663 4.350 0.939 0.000 0.194 100 E C 1.928 178.612 176.600 0.141 0.000 0.994 100 E CA 1.387 57.816 56.400 0.048 0.000 0.801 100 E CB -0.191 29.569 29.700 0.101 0.000 0.743 100 E HN 0.503 nan 8.360 nan 0.000 0.453 101 N N 0.411 119.163 118.700 0.088 0.000 2.058 101 N HA -0.155 5.149 4.740 0.939 0.000 0.191 101 N C 1.877 177.432 175.510 0.075 0.000 1.037 101 N CA 1.139 54.236 53.050 0.079 0.000 0.848 101 N CB -0.430 38.088 38.487 0.051 0.000 1.021 101 N HN 0.071 nan 8.380 nan 0.000 0.422 102 V N 0.776 120.719 119.914 0.049 0.000 2.295 102 V HA -0.124 4.560 4.120 0.939 0.000 0.246 102 V C 1.944 178.072 176.094 0.055 0.000 1.049 102 V CA 1.355 63.680 62.300 0.041 0.000 1.024 102 V CB -0.499 31.335 31.823 0.019 0.000 0.648 102 V HN 0.346 nan 8.190 nan 0.000 0.447 103 L N -0.009 121.239 121.223 0.042 0.000 1.989 103 L HA -0.142 4.761 4.340 0.939 0.000 0.211 103 L C 2.773 179.779 176.870 0.226 0.000 1.071 103 L CA 2.405 57.277 54.840 0.054 0.000 0.749 103 L CB -1.036 40.945 42.059 -0.130 0.000 0.890 103 L HN 0.508 nan 8.230 nan 0.000 0.431 104 A N -0.122 122.904 122.820 0.343 0.000 1.859 104 A HA -0.354 4.530 4.320 0.939 0.000 0.218 104 A C 2.112 179.775 177.584 0.132 0.000 1.209 104 A CA 2.267 54.469 52.037 0.274 0.000 0.639 104 A CB -0.963 18.127 19.000 0.150 0.000 0.835 104 A HN 0.587 nan 8.150 nan 0.000 0.450 105 E N -0.787 119.471 120.200 0.096 0.000 2.114 105 E HA -0.263 4.650 4.350 0.939 0.000 0.199 105 E C 2.097 178.749 176.600 0.087 0.000 1.008 105 E CA 1.939 58.381 56.400 0.070 0.000 0.810 105 E CB -0.231 29.504 29.700 0.058 0.000 0.739 105 E HN 0.693 nan 8.360 nan 0.000 0.456 106 M N -0.376 119.287 119.600 0.105 0.000 2.117 106 M HA -0.161 4.883 4.480 0.939 0.000 0.262 106 M C 2.344 178.737 176.300 0.154 0.000 1.065 106 M CA 1.054 56.430 55.300 0.127 0.000 1.114 106 M CB -0.128 32.536 32.600 0.107 0.000 1.361 106 M HN 0.086 nan 8.290 nan 0.000 0.408 107 V N 1.142 121.153 119.914 0.161 0.000 2.427 107 V HA -0.247 4.436 4.120 0.939 0.000 0.248 107 V C 1.806 177.959 176.094 0.098 0.000 1.051 107 V CA 1.789 64.197 62.300 0.181 0.000 1.048 107 V CB -0.929 31.027 31.823 0.221 0.000 0.666 107 V HN 0.464 nan 8.190 nan 0.000 0.456 108 N N 0.308 119.045 118.700 0.062 0.000 2.120 108 N HA -0.143 5.160 4.740 0.939 0.000 0.188 108 N C 1.522 177.059 175.510 0.045 0.000 1.024 108 N CA 1.464 54.529 53.050 0.024 0.000 0.852 108 N CB -0.437 38.055 38.487 0.008 0.000 1.003 108 N HN 0.435 nan 8.380 nan 0.000 0.424 109 D N 0.455 120.904 120.400 0.081 0.000 2.097 109 D HA -0.034 5.170 4.640 0.939 0.000 0.195 109 D C 1.854 178.239 176.300 0.141 0.000 0.989 109 D CA 1.287 55.351 54.000 0.106 0.000 0.827 109 D CB -0.441 40.439 40.800 0.134 0.000 0.966 109 D HN 0.233 nan 8.370 nan 0.000 0.456 110 A N 0.542 123.469 122.820 0.179 0.000 1.858 110 A HA -0.092 4.792 4.320 0.939 0.000 0.216 110 A C 1.368 178.969 177.584 0.028 0.000 1.190 110 A CA 1.161 53.300 52.037 0.170 0.000 0.617 110 A CB -0.508 18.524 19.000 0.054 0.000 0.827 110 A HN 0.184 nan 8.150 nan 0.000 0.443 111 V N -0.161 119.730 119.914 -0.038 0.000 2.407 111 V HA 0.371 5.054 4.120 0.939 0.000 0.278 111 V C -1.782 174.285 176.094 -0.045 0.000 1.037 111 V CA -1.828 60.420 62.300 -0.087 0.000 0.900 111 V CB 1.337 33.060 31.823 -0.167 0.000 0.983 111 V HN 0.227 nan 8.190 nan 0.000 0.459 112 P HA -0.209 nan 4.420 nan 0.000 0.206 112 P C 2.004 179.272 177.300 -0.052 0.000 1.142 112 P CA 2.936 66.015 63.100 -0.034 0.000 0.946 112 P CB -0.044 31.635 31.700 -0.035 0.000 0.777 113 S N -0.295 115.359 115.700 -0.077 0.000 2.389 113 S HA -0.204 4.830 4.470 0.939 0.000 0.231 113 S C 1.084 175.635 174.600 -0.082 0.000 1.052 113 S CA 1.124 59.266 58.200 -0.096 0.000 1.053 113 S CB -1.844 61.276 63.200 -0.133 0.000 0.886 113 S HN 0.091 nan 8.310 nan 0.000 0.456 114 I N 2.680 123.207 120.570 -0.072 0.000 2.576 114 I HA 0.049 4.783 4.170 0.939 0.000 0.288 114 I C 1.132 177.213 176.117 -0.061 0.000 1.126 114 I CA 0.348 61.605 61.300 -0.071 0.000 1.362 114 I CB 0.197 38.155 38.000 -0.070 0.000 1.419 114 I HN 0.351 nan 8.210 nan 0.000 0.533 115 E N 5.433 125.591 120.200 -0.069 0.000 2.460 115 E HA 0.256 5.170 4.350 0.939 0.000 0.200 115 E C 0.147 176.704 176.600 -0.072 0.000 1.011 115 E CA 0.227 56.592 56.400 -0.058 0.000 0.912 115 E CB 0.836 30.504 29.700 -0.053 0.000 0.953 115 E HN 0.570 nan 8.360 nan 0.000 0.494 116 M N 1.302 120.840 119.600 -0.102 0.000 2.325 116 M HA 0.213 5.257 4.480 0.939 0.000 0.285 116 M C -1.846 174.330 176.300 -0.207 0.000 1.119 116 M CA -0.723 54.496 55.300 -0.134 0.000 0.959 116 M CB 2.054 34.586 32.600 -0.114 0.000 1.737 116 M HN -0.119 nan 8.290 nan 0.000 0.486 117 V N 1.176 120.912 119.914 -0.297 0.000 3.046 117 V HA 0.940 5.624 4.120 0.939 0.000 0.316 117 V C -1.212 174.495 176.094 -0.645 0.000 1.104 117 V CA -0.810 61.203 62.300 -0.479 0.000 1.006 117 V CB 1.989 33.462 31.823 -0.583 0.000 1.058 117 V HN 0.969 nan 8.190 nan 0.000 0.440 118 R N 1.470 121.468 120.500 -0.837 0.000 2.510 118 R HA 0.617 5.520 4.340 0.939 0.000 0.294 118 R C -1.898 173.995 176.300 -0.678 0.000 1.056 118 R CA -0.536 55.090 56.100 -0.790 0.000 0.918 118 R CB 0.936 30.678 30.300 -0.931 0.000 1.187 118 R HN 0.636 nan 8.270 nan 0.000 0.437 119 F N 4.262 124.101 119.950 -0.185 0.000 2.399 119 F HA 0.515 5.605 4.527 0.939 0.000 0.342 119 F C 0.957 176.732 175.800 -0.043 0.000 1.106 119 F CA -0.069 57.877 58.000 -0.090 0.000 1.196 119 F CB 1.247 40.209 39.000 -0.062 0.000 1.163 119 F HN 0.422 nan 8.300 nan 0.000 0.547 120 V N -0.199 119.850 119.914 0.225 0.000 3.087 120 V HA 0.553 5.237 4.120 0.939 0.000 0.311 120 V C -0.351 175.818 176.094 0.125 0.000 1.333 120 V CA -0.906 61.488 62.300 0.157 0.000 1.054 120 V CB 1.877 33.809 31.823 0.181 0.000 1.123 120 V HN 0.588 nan 8.190 nan 0.000 0.473 121 N N 0.627 119.385 118.700 0.096 0.000 2.236 121 N HA 0.414 5.718 4.740 0.939 0.000 0.196 121 N C -0.083 175.477 175.510 0.082 0.000 1.114 121 N CA 0.660 53.756 53.050 0.077 0.000 0.859 121 N CB 0.549 39.072 38.487 0.060 0.000 0.982 121 N HN 1.013 nan 8.380 nan 0.000 0.493 122 S N -3.231 112.526 115.700 0.095 0.000 2.595 122 S HA 0.428 5.461 4.470 0.939 0.000 0.270 122 S C 0.794 175.451 174.600 0.096 0.000 1.145 122 S CA -0.588 57.672 58.200 0.100 0.000 0.825 122 S CB 0.728 63.992 63.200 0.107 0.000 1.107 122 S HN -0.024 nan 8.310 nan 0.000 0.461 123 G N 0.846 109.706 108.800 0.100 0.000 2.408 123 G HA2 -0.017 4.507 3.960 0.939 0.000 0.217 123 G HA3 -0.017 4.507 3.960 0.939 0.000 0.217 123 G C 1.081 175.992 174.900 0.018 0.000 1.150 123 G CA 1.517 46.663 45.100 0.076 0.000 0.776 123 G HN 0.818 nan 8.290 nan 0.000 0.542 124 T N 1.074 115.646 114.554 0.030 0.000 2.652 124 T HA -0.121 4.792 4.350 0.939 0.000 0.267 124 T C 2.164 176.806 174.700 -0.097 0.000 1.039 124 T CA 1.614 63.679 62.100 -0.059 0.000 1.153 124 T CB -0.248 68.593 68.868 -0.045 0.000 0.863 124 T HN 0.468 nan 8.240 nan 0.000 0.428 125 E N 1.053 121.230 120.200 -0.037 0.000 2.058 125 E HA -0.137 4.777 4.350 0.939 0.000 0.194 125 E C 2.571 179.123 176.600 -0.081 0.000 0.997 125 E CA 1.129 57.502 56.400 -0.044 0.000 0.801 125 E CB -0.276 29.436 29.700 0.020 0.000 0.746 125 E HN 0.489 nan 8.360 nan 0.000 0.450 126 A N 0.651 123.459 122.820 -0.020 0.000 2.019 126 A HA -0.183 4.701 4.320 0.939 0.000 0.219 126 A C 2.364 179.814 177.584 -0.223 0.000 1.164 126 A CA 1.119 53.125 52.037 -0.051 0.000 0.644 126 A CB -0.664 18.414 19.000 0.130 0.000 0.805 126 A HN 0.347 nan 8.150 nan 0.000 0.449 127 C N -1.350 117.838 119.300 -0.186 0.000 2.475 127 C HA 0.015 5.038 4.460 0.939 0.000 0.279 127 C C 2.805 177.584 174.990 -0.351 0.000 1.322 127 C CA 1.077 59.939 59.018 -0.260 0.000 1.734 127 C CB -1.196 26.408 27.740 -0.226 0.000 2.005 127 C HN 0.662 nan 8.230 nan 0.000 0.495 128 M N 1.266 120.687 119.600 -0.299 0.000 2.065 128 M HA -0.169 4.875 4.480 0.939 0.000 0.259 128 M C 2.567 178.681 176.300 -0.311 0.000 1.069 128 M CA 2.275 57.406 55.300 -0.282 0.000 1.110 128 M CB -0.618 31.860 32.600 -0.203 0.000 1.328 128 M HN 0.424 nan 8.290 nan 0.000 0.405 129 A N -0.464 122.133 122.820 -0.373 0.000 1.873 129 A HA -0.180 4.704 4.320 0.939 0.000 0.218 129 A C 2.321 179.575 177.584 -0.551 0.000 1.193 129 A CA 2.144 53.870 52.037 -0.519 0.000 0.629 129 A CB -1.295 17.183 19.000 -0.869 0.000 0.826 129 A HN 0.353 nan 8.150 nan 0.000 0.447 130 V N 0.030 119.598 119.914 -0.578 0.000 2.407 130 V HA -0.206 4.478 4.120 0.939 0.000 0.248 130 V C 2.423 178.360 176.094 -0.262 0.000 1.055 130 V CA 2.040 64.110 62.300 -0.382 0.000 1.049 130 V CB -0.452 31.203 31.823 -0.280 0.000 0.662 130 V HN 0.579 nan 8.190 nan 0.000 0.455 131 L N -0.454 120.587 121.223 -0.302 0.000 1.994 131 L HA -0.201 4.703 4.340 0.939 0.000 0.208 131 L C 2.736 179.508 176.870 -0.164 0.000 1.071 131 L CA 2.347 57.034 54.840 -0.255 0.000 0.745 131 L CB -0.725 41.116 42.059 -0.363 0.000 0.892 131 L HN 0.249 nan 8.230 nan 0.000 0.431 132 R N 0.044 120.441 120.500 -0.171 0.000 2.091 132 R HA -0.223 4.681 4.340 0.939 0.000 0.238 132 R C 2.291 178.551 176.300 -0.067 0.000 1.136 132 R CA 1.526 57.563 56.100 -0.105 0.000 0.959 132 R CB -0.263 29.975 30.300 -0.103 0.000 0.856 132 R HN 0.174 nan 8.270 nan 0.000 0.437 133 L N 1.035 122.202 121.223 -0.093 0.000 2.056 133 L HA -0.130 4.773 4.340 0.939 0.000 0.207 133 L C 2.311 179.191 176.870 0.016 0.000 1.078 133 L CA 1.868 56.690 54.840 -0.031 0.000 0.749 133 L CB -0.387 41.640 42.059 -0.053 0.000 0.901 133 L HN 0.349 nan 8.230 nan 0.000 0.433 134 M N -1.878 117.707 119.600 -0.024 0.000 2.117 134 M HA -0.179 4.865 4.480 0.939 0.000 0.262 134 M C 2.317 178.655 176.300 0.063 0.000 1.065 134 M CA 1.752 57.063 55.300 0.018 0.000 1.114 134 M CB -0.743 31.843 32.600 -0.024 0.000 1.361 134 M HN 0.076 nan 8.290 nan 0.000 0.408 135 R N 0.839 121.350 120.500 0.019 0.000 2.075 135 R HA 0.007 4.911 4.340 0.939 0.000 0.232 135 R C 2.576 178.898 176.300 0.035 0.000 1.126 135 R CA 1.581 57.693 56.100 0.020 0.000 0.963 135 R CB -0.538 29.757 30.300 -0.008 0.000 0.858 135 R HN 0.610 nan 8.270 nan 0.000 0.435 136 A N 0.119 122.964 122.820 0.042 0.000 1.930 136 A HA -0.212 4.672 4.320 0.939 0.000 0.217 136 A C 1.946 179.572 177.584 0.070 0.000 1.175 136 A CA 1.096 53.160 52.037 0.046 0.000 0.627 136 A CB -0.664 18.365 19.000 0.048 0.000 0.815 136 A HN 0.445 nan 8.150 nan 0.000 0.443 137 Y N 1.764 122.058 120.300 -0.010 0.000 2.145 137 Y HA -0.223 4.891 4.550 0.939 0.000 0.286 137 Y C 2.889 178.789 175.900 -0.001 0.000 1.145 137 Y CA 2.547 60.644 58.100 -0.005 0.000 1.148 137 Y CB -0.472 37.984 38.460 -0.006 0.000 0.981 137 Y HN 0.445 nan 8.280 nan 0.000 0.507 138 T N -3.765 110.826 114.554 0.061 0.000 2.937 138 T HA 0.198 5.112 4.350 0.939 0.000 0.260 138 T C 1.760 176.425 174.700 -0.058 0.000 1.051 138 T CA 0.861 62.951 62.100 -0.017 0.000 1.141 138 T CB -0.655 68.270 68.868 0.095 0.000 0.879 138 T HN 0.707 nan 8.240 nan 0.000 0.459 139 G N 1.577 110.361 108.800 -0.027 0.000 2.131 139 G HA2 -0.186 4.338 3.960 0.939 0.000 0.223 139 G HA3 -0.186 4.338 3.960 0.939 0.000 0.223 139 G C -0.007 174.887 174.900 -0.011 0.000 0.990 139 G CA -0.162 44.921 45.100 -0.029 0.000 0.671 139 G HN 0.754 nan 8.290 nan 0.000 0.521 140 R N -0.671 119.831 120.500 0.003 0.000 2.803 140 R HA 0.610 5.513 4.340 0.939 0.000 0.276 140 R C -0.246 176.054 176.300 -0.000 0.000 0.978 140 R CA -0.589 55.513 56.100 0.003 0.000 0.939 140 R CB 1.111 31.420 30.300 0.015 0.000 1.179 140 R HN 0.075 nan 8.270 nan 0.000 0.472 141 D N 0.008 120.402 120.400 -0.009 0.000 2.417 141 D HA 0.025 5.229 4.640 0.939 0.000 0.207 141 D C -0.375 175.913 176.300 -0.020 0.000 1.075 141 D CA 0.330 54.323 54.000 -0.012 0.000 0.851 141 D CB 0.510 41.302 40.800 -0.012 0.000 0.976 141 D HN -0.040 nan 8.370 nan 0.000 0.505 142 K N 1.290 121.669 120.400 -0.036 0.000 2.297 142 K HA 0.264 5.148 4.320 0.939 0.000 0.286 142 K C -0.206 176.351 176.600 -0.073 0.000 1.053 142 K CA -0.264 55.984 56.287 -0.065 0.000 0.940 142 K CB 1.575 34.013 32.500 -0.103 0.000 1.019 142 K HN 0.030 nan 8.250 nan 0.000 0.475 143 I N 4.255 124.787 120.570 -0.062 0.000 2.646 143 I HA 0.436 5.170 4.170 0.939 0.000 0.299 143 I C 0.268 176.306 176.117 -0.132 0.000 1.036 143 I CA -0.964 60.310 61.300 -0.044 0.000 1.074 143 I CB 1.620 39.675 38.000 0.092 0.000 1.258 143 I HN 0.414 nan 8.210 nan 0.000 0.430 144 I N 4.739 125.202 120.570 -0.179 0.000 2.433 144 I HA 0.410 5.143 4.170 0.939 0.000 0.292 144 I C -0.076 175.812 176.117 -0.381 0.000 1.001 144 I CA -0.565 60.559 61.300 -0.293 0.000 1.119 144 I CB 2.099 39.908 38.000 -0.319 0.000 1.289 144 I HN 0.513 nan 8.210 nan 0.000 0.438 145 K N 4.837 124.940 120.400 -0.496 0.000 2.409 145 K HA 0.660 5.544 4.320 0.939 0.000 0.252 145 K C -1.759 174.518 176.600 -0.538 0.000 1.036 145 K CA -0.530 55.435 56.287 -0.537 0.000 0.871 145 K CB 2.034 34.115 32.500 -0.697 0.000 1.374 145 K HN 0.259 nan 8.250 nan 0.000 0.459 146 F N 0.912 120.901 119.950 0.066 0.000 2.579 146 F HA 0.340 5.430 4.527 0.939 0.000 0.324 146 F C 0.107 175.926 175.800 0.031 0.000 1.058 146 F CA -0.777 57.292 58.000 0.115 0.000 0.944 146 F CB 1.680 40.863 39.000 0.304 0.000 1.245 146 F HN 0.460 nan 8.300 nan 0.000 0.477 147 E N 0.548 120.903 120.200 0.258 0.000 2.299 147 E HA 0.375 5.288 4.350 0.939 0.000 0.272 147 E C 0.671 177.201 176.600 -0.118 0.000 1.043 147 E CA 0.827 57.258 56.400 0.052 0.000 0.895 147 E CB 0.393 30.158 29.700 0.108 0.000 1.011 147 E HN 0.894 nan 8.360 nan 0.000 0.432 148 G N 2.873 111.470 108.800 -0.338 0.000 2.176 148 G HA2 -0.265 4.258 3.960 0.939 0.000 0.232 148 G HA3 -0.265 4.258 3.960 0.939 0.000 0.232 148 G C 0.167 174.898 174.900 -0.281 0.000 0.986 148 G CA -0.245 44.528 45.100 -0.546 0.000 0.643 148 G HN 0.588 nan 8.290 nan 0.000 0.522 149 C N 1.234 120.442 119.300 -0.153 0.000 2.325 149 C HA 0.592 5.616 4.460 0.939 0.000 0.347 149 C C 0.311 175.126 174.990 -0.293 0.000 1.263 149 C CA -0.966 57.933 59.018 -0.198 0.000 1.806 149 C CB -0.663 27.047 27.740 -0.051 0.000 2.405 149 C HN 0.369 nan 8.230 nan 0.000 0.537 150 Y N 2.849 122.920 120.300 -0.382 0.000 2.327 150 Y HA 0.341 5.460 4.550 0.947 0.000 0.336 150 Y C 0.479 176.183 175.900 -0.327 0.000 1.035 150 Y CA -0.178 57.773 58.100 -0.247 0.000 1.165 150 Y CB 0.229 38.620 38.460 -0.115 0.000 1.181 150 Y HN 0.807 nan 8.280 nan 0.000 0.494 151 H N 3.681 122.545 119.070 -0.343 0.000 2.674 151 H HA 0.473 5.594 4.556 0.943 0.000 0.235 151 H C 0.224 175.255 175.328 -0.495 0.000 1.330 151 H CA -0.192 55.695 56.048 -0.269 0.000 1.052 151 H CB 0.360 30.184 29.762 0.104 0.000 1.954 151 H HN 0.970 nan 8.280 nan 0.000 0.566 152 G N 2.254 110.454 108.800 -1.000 0.000 3.019 152 G HA2 -0.238 4.286 3.960 0.939 0.000 0.686 152 G HA3 -0.238 4.286 3.960 0.939 0.000 0.686 152 G C -0.296 174.455 174.900 -0.249 0.000 1.056 152 G CA -0.729 44.023 45.100 -0.580 0.000 0.774 152 G HN 0.709 nan 8.290 nan 0.000 0.583 153 H N 0.467 119.598 119.070 0.102 0.000 3.513 153 H HA 0.582 5.702 4.556 0.941 0.000 0.253 153 H C 0.442 175.824 175.328 0.090 0.000 1.514 153 H CA 0.471 56.655 56.048 0.227 0.000 1.565 153 H CB -0.545 29.364 29.762 0.247 0.000 1.776 153 H HN 1.382 nan 8.280 nan 0.000 0.562 154 A N 2.902 125.694 122.820 -0.047 0.000 2.387 154 A HA 0.332 5.216 4.320 0.939 0.000 0.303 154 A C 0.357 177.953 177.584 0.020 0.000 1.145 154 A CA -0.660 51.321 52.037 -0.092 0.000 0.801 154 A CB 1.260 20.164 19.000 -0.160 0.000 1.342 154 A HN 0.438 nan 8.150 nan 0.000 0.440 155 D N 0.333 120.734 120.400 0.003 0.000 2.106 155 D HA -0.161 5.042 4.640 0.939 0.000 0.194 155 D C 1.855 178.207 176.300 0.086 0.000 0.988 155 D CA 1.904 55.927 54.000 0.038 0.000 0.845 155 D CB -0.191 40.618 40.800 0.014 0.000 0.990 155 D HN 0.442 nan 8.370 nan 0.000 0.448 156 M N -0.475 119.180 119.600 0.092 0.000 2.255 156 M HA -0.157 4.887 4.480 0.939 0.000 0.259 156 M C 1.112 177.662 176.300 0.417 0.000 1.071 156 M CA 1.207 56.623 55.300 0.194 0.000 1.074 156 M CB -0.623 32.073 32.600 0.161 0.000 1.384 156 M HN 0.075 nan 8.290 nan 0.000 0.415 157 F N -1.073 118.865 119.950 -0.021 0.000 2.678 157 F HA 0.240 5.330 4.527 0.938 0.000 0.305 157 F C 0.994 176.818 175.800 0.040 0.000 1.090 157 F CA -0.751 57.254 58.000 0.008 0.000 1.272 157 F CB -0.058 38.950 39.000 0.012 0.000 1.060 157 F HN -0.114 nan 8.300 nan 0.000 0.576 158 L N 1.979 123.309 121.223 0.178 0.000 2.437 158 L HA 0.233 5.137 4.340 0.939 0.000 0.243 158 L C -0.327 176.579 176.870 0.061 0.000 1.346 158 L CA 0.268 55.185 54.840 0.129 0.000 1.233 158 L CB -0.534 41.597 42.059 0.120 0.000 1.436 158 L HN -0.143 nan 8.230 nan 0.000 0.416 159 V N 3.551 123.476 119.914 0.019 0.000 2.559 159 V HA 0.339 5.023 4.120 0.939 0.000 0.289 159 V C -0.045 176.019 176.094 -0.050 0.000 1.036 159 V CA -0.625 61.660 62.300 -0.023 0.000 0.887 159 V CB 1.261 33.052 31.823 -0.053 0.000 1.022 159 V HN 0.653 nan 8.190 nan 0.000 0.442 160 K N 2.997 123.375 120.400 -0.038 0.000 3.071 160 K HA -0.166 4.718 4.320 0.939 0.000 0.265 160 K C 0.365 176.894 176.600 -0.119 0.000 1.060 160 K CA 1.223 57.467 56.287 -0.072 0.000 0.767 160 K CB -1.945 30.523 32.500 -0.052 0.000 1.241 160 K HN 1.351 nan 8.250 nan 0.000 0.486 161 A N -0.257 122.527 122.820 -0.061 0.000 2.260 161 A HA 0.745 5.628 4.320 0.939 0.000 0.278 161 A C 1.239 178.758 177.584 -0.108 0.000 1.269 161 A CA 0.217 52.248 52.037 -0.009 0.000 0.824 161 A CB 0.087 19.189 19.000 0.170 0.000 1.238 161 A HN 0.447 nan 8.150 nan 0.000 0.507 162 G N -2.034 106.759 108.800 -0.012 0.000 2.736 162 G HA2 0.576 5.100 3.960 0.939 0.000 0.229 162 G HA3 0.576 5.100 3.960 0.939 0.000 0.229 162 G C 0.557 175.344 174.900 -0.189 0.000 1.380 162 G CA 1.024 46.056 45.100 -0.113 0.000 1.040 162 G HN 2.444 nan 8.290 nan 0.000 0.568 163 S N -2.101 113.476 115.700 -0.206 0.000 3.736 163 S HA -0.243 4.790 4.470 0.939 0.000 0.627 163 S C 2.084 176.537 174.600 -0.245 0.000 2.426 163 S CA 1.639 59.649 58.200 -0.318 0.000 4.022 163 S CB -1.598 61.178 63.200 -0.707 0.000 0.237 163 S HN 2.264 nan 8.310 nan 0.000 0.967 164 G N 1.052 109.670 108.800 -0.304 0.000 2.503 164 G HA2 -0.078 4.446 3.960 0.939 0.000 0.221 164 G HA3 -0.078 4.446 3.960 0.939 0.000 0.221 164 G C 1.508 176.338 174.900 -0.115 0.000 1.131 164 G CA 1.911 46.901 45.100 -0.184 0.000 0.756 164 G HN 1.219 nan 8.290 nan 0.000 0.572 165 V N 1.396 121.229 119.914 -0.136 0.000 2.223 165 V HA -0.014 4.669 4.120 0.939 0.000 0.244 165 V C 2.531 178.572 176.094 -0.089 0.000 1.045 165 V CA 1.727 63.975 62.300 -0.086 0.000 1.000 165 V CB -0.858 30.921 31.823 -0.073 0.000 0.635 165 V HN 0.453 nan 8.190 nan 0.000 0.445 166 A N -0.947 121.779 122.820 -0.158 0.000 3.077 166 A HA 0.457 5.341 4.320 0.939 0.000 0.255 166 A C 0.909 178.473 177.584 -0.032 0.000 1.728 166 A CA 0.865 52.781 52.037 -0.201 0.000 1.383 166 A CB -0.399 18.316 19.000 -0.475 0.000 1.097 166 A HN 0.542 nan 8.150 nan 0.000 0.634 167 T N -0.586 113.998 114.554 0.050 0.000 3.759 167 T HA 0.039 4.953 4.350 0.939 0.000 0.245 167 T C 0.616 175.413 174.700 0.161 0.000 0.867 167 T CA 0.627 62.868 62.100 0.236 0.000 1.116 167 T CB -0.489 68.429 68.868 0.083 0.000 1.028 167 T HN 0.579 nan 8.240 nan 0.000 0.381 168 L N 1.057 122.313 121.223 0.056 0.000 2.791 168 L HA 0.777 5.680 4.340 0.939 0.000 0.239 168 L C 1.110 177.999 176.870 0.031 0.000 1.203 168 L CA 0.102 54.967 54.840 0.041 0.000 1.002 168 L CB -0.629 41.441 42.059 0.018 0.000 1.295 168 L HN 0.456 nan 8.230 nan 0.000 0.504 169 G N 0.436 109.253 108.800 0.028 0.000 2.273 169 G HA2 -0.255 4.269 3.960 0.939 0.000 0.280 169 G HA3 -0.255 4.269 3.960 0.939 0.000 0.280 169 G C 0.070 174.979 174.900 0.015 0.000 1.047 169 G CA 0.391 45.503 45.100 0.020 0.000 0.869 169 G HN 0.410 nan 8.290 nan 0.000 0.502 170 L N 0.263 121.488 121.223 0.004 0.000 2.453 170 L HA 0.330 5.234 4.340 0.939 0.000 0.272 170 L C -0.676 176.198 176.870 0.006 0.000 1.182 170 L CA -0.620 54.221 54.840 0.002 0.000 0.858 170 L CB 0.467 42.520 42.059 -0.011 0.000 1.120 170 L HN 0.095 nan 8.230 nan 0.000 0.474 171 P HA 0.197 nan 4.420 nan 0.000 0.342 171 P C -0.986 176.322 177.300 0.013 0.000 1.369 171 P CA -0.366 62.742 63.100 0.013 0.000 0.800 171 P CB 0.334 32.042 31.700 0.014 0.000 1.884 172 S N -2.293 113.415 115.700 0.013 0.000 2.549 172 S HA 0.599 5.633 4.470 0.939 0.000 0.297 172 S C 0.512 175.124 174.600 0.020 0.000 1.115 172 S CA 0.415 58.623 58.200 0.014 0.000 1.059 172 S CB 1.123 64.326 63.200 0.004 0.000 1.046 172 S HN 0.760 nan 8.310 nan 0.000 0.506 173 S N 1.764 117.481 115.700 0.029 0.000 2.181 173 S HA -0.100 4.934 4.470 0.939 0.000 0.253 173 S C -2.389 172.235 174.600 0.040 0.000 0.997 173 S CA 0.801 59.020 58.200 0.032 0.000 2.120 173 S CB -2.753 60.460 63.200 0.022 0.000 0.775 173 S HN 0.815 nan 8.310 nan 0.000 0.484 174 P HA -0.045 nan 4.420 nan 0.000 0.014 174 P C 0.601 177.927 177.300 0.044 0.000 0.565 174 P CA 2.642 65.766 63.100 0.040 0.000 1.034 174 P CB -1.771 29.958 31.700 0.047 0.000 1.907 175 G N -3.044 105.777 108.800 0.035 0.000 2.201 175 G HA2 -0.175 4.349 3.960 0.939 0.000 0.212 175 G HA3 -0.175 4.349 3.960 0.939 0.000 0.212 175 G C -0.020 174.898 174.900 0.030 0.000 0.994 175 G CA -0.154 44.966 45.100 0.033 0.000 0.644 175 G HN 0.869 nan 8.290 nan 0.000 0.508 176 V N -0.453 119.480 119.914 0.033 0.000 2.370 176 V HA 0.829 5.513 4.120 0.939 0.000 0.283 176 V C -1.982 174.126 176.094 0.023 0.000 1.023 176 V CA -2.344 59.974 62.300 0.030 0.000 0.857 176 V CB 1.719 33.566 31.823 0.040 0.000 0.985 176 V HN 0.036 nan 8.190 nan 0.000 0.443 177 P HA 0.347 nan 4.420 nan 0.000 0.274 177 P C 0.040 177.347 177.300 0.011 0.000 1.260 177 P CA -0.384 62.723 63.100 0.012 0.000 0.793 177 P CB 0.578 32.284 31.700 0.010 0.000 1.048 178 K N 0.038 120.442 120.400 0.007 0.000 2.362 178 K HA -0.079 4.805 4.320 0.939 0.000 0.200 178 K C 1.318 177.919 176.600 0.002 0.000 1.046 178 K CA 1.362 57.650 56.287 0.003 0.000 0.952 178 K CB -0.385 32.115 32.500 0.000 0.000 0.753 178 K HN 0.359 nan 8.250 nan 0.000 0.466 179 K N -0.120 120.282 120.400 0.003 0.000 2.365 179 K HA -0.005 4.879 4.320 0.939 0.000 0.197 179 K C 1.642 178.245 176.600 0.004 0.000 1.042 179 K CA 1.398 57.686 56.287 0.002 0.000 0.987 179 K CB 0.153 32.654 32.500 0.002 0.000 0.779 179 K HN 0.342 nan 8.250 nan 0.000 0.484 180 T N -1.464 113.096 114.554 0.010 0.000 2.980 180 T HA -0.073 4.841 4.350 0.939 0.000 0.239 180 T C 1.695 176.409 174.700 0.023 0.000 1.011 180 T CA 0.591 62.702 62.100 0.017 0.000 1.171 180 T CB -0.612 68.269 68.868 0.023 0.000 0.873 180 T HN 0.070 nan 8.240 nan 0.000 0.431 181 T N 0.616 115.183 114.554 0.021 0.000 4.029 181 T HA 0.702 5.616 4.350 0.939 0.000 0.226 181 T C 0.917 175.612 174.700 -0.008 0.000 0.838 181 T CA 0.029 62.136 62.100 0.011 0.000 0.907 181 T CB -0.346 68.526 68.868 0.008 0.000 1.296 181 T HN 0.559 nan 8.240 nan 0.000 0.711 182 A N 1.198 124.014 122.820 -0.008 0.000 2.263 182 A HA 0.284 5.167 4.320 0.939 0.000 0.200 182 A C 1.844 179.414 177.584 -0.024 0.000 1.428 182 A CA -0.451 51.575 52.037 -0.018 0.000 1.050 182 A CB 0.305 19.297 19.000 -0.013 0.000 1.226 182 A HN 0.457 nan 8.150 nan 0.000 0.501 183 N N 1.484 120.175 118.700 -0.014 0.000 2.398 183 N HA 0.013 5.317 4.740 0.939 0.000 0.188 183 N C -0.131 175.363 175.510 -0.027 0.000 1.122 183 N CA 1.110 54.149 53.050 -0.018 0.000 0.866 183 N CB 0.410 38.894 38.487 -0.004 0.000 0.970 183 N HN 0.616 nan 8.380 nan 0.000 0.462 184 T N -0.790 113.742 114.554 -0.037 0.000 2.797 184 T HA 0.522 5.435 4.350 0.939 0.000 0.279 184 T C -0.143 174.485 174.700 -0.121 0.000 0.991 184 T CA -0.827 61.226 62.100 -0.078 0.000 0.979 184 T CB 2.044 70.859 68.868 -0.089 0.000 0.943 184 T HN -0.268 nan 8.240 nan 0.000 0.444 185 L N 2.230 123.356 121.223 -0.162 0.000 2.358 185 L HA 0.775 5.678 4.340 0.939 0.000 0.268 185 L C 0.631 177.387 176.870 -0.190 0.000 1.032 185 L CA -0.479 54.264 54.840 -0.161 0.000 0.805 185 L CB 1.500 43.450 42.059 -0.182 0.000 1.253 185 L HN 0.903 nan 8.230 nan 0.000 0.452 186 T N 0.049 114.522 114.554 -0.134 0.000 2.909 186 T HA 0.672 5.586 4.350 0.939 0.000 0.299 186 T C -0.494 174.196 174.700 -0.017 0.000 1.073 186 T CA -0.522 61.515 62.100 -0.105 0.000 0.999 186 T CB 2.345 71.172 68.868 -0.067 0.000 1.098 186 T HN 0.782 nan 8.240 nan 0.000 0.477 187 T N 1.174 115.780 114.554 0.086 0.000 2.868 187 T HA 0.641 5.554 4.350 0.939 0.000 0.306 187 T C -3.199 171.730 174.700 0.382 0.000 1.224 187 T CA -2.101 60.139 62.100 0.233 0.000 1.012 187 T CB 1.731 70.780 68.868 0.301 0.000 1.221 187 T HN 0.208 nan 8.240 nan 0.000 0.499 188 P HA 0.220 nan 4.420 nan 0.000 0.276 188 P C -1.122 176.220 177.300 0.071 0.000 1.235 188 P CA -0.295 62.900 63.100 0.157 0.000 0.772 188 P CB -0.102 31.631 31.700 0.056 0.000 0.871 189 Y N 4.275 124.510 120.300 -0.108 0.000 2.810 189 Y HA -0.151 4.965 4.550 0.943 0.000 0.332 189 Y C 1.343 176.903 175.900 -0.566 0.000 1.243 189 Y CA 1.369 59.180 58.100 -0.481 0.000 1.537 189 Y CB -0.514 37.781 38.460 -0.276 0.000 1.265 189 Y HN 0.638 nan 8.280 nan 0.000 0.572 190 N N 1.768 119.480 118.700 -1.646 0.000 3.002 190 N HA -0.254 5.049 4.740 0.939 0.000 0.229 190 N C -1.242 173.674 175.510 -0.990 0.000 0.927 190 N CA 0.768 52.752 53.050 -1.777 0.000 0.980 190 N CB -0.797 37.132 38.487 -0.929 0.000 1.077 190 N HN 0.659 nan 8.380 nan 0.000 0.572 191 D N 1.482 121.557 120.400 -0.542 0.000 2.518 191 D HA 0.090 5.294 4.640 0.939 0.000 0.230 191 D C 1.158 177.470 176.300 0.019 0.000 1.138 191 D CA -0.362 53.526 54.000 -0.187 0.000 0.964 191 D CB 0.523 41.285 40.800 -0.063 0.000 1.011 191 D HN 0.158 nan 8.370 nan 0.000 0.517 192 L N 2.635 123.889 121.223 0.052 0.000 2.129 192 L HA -0.164 4.739 4.340 0.939 0.000 0.212 192 L C 1.815 178.762 176.870 0.127 0.000 1.087 192 L CA 1.667 56.620 54.840 0.188 0.000 0.757 192 L CB -0.157 42.004 42.059 0.169 0.000 0.896 192 L HN 0.390 nan 8.230 nan 0.000 0.434 193 E N -0.172 120.071 120.200 0.071 0.000 2.047 193 E HA -0.142 4.771 4.350 0.939 0.000 0.191 193 E C 2.205 178.853 176.600 0.080 0.000 0.987 193 E CA 1.286 57.721 56.400 0.060 0.000 0.799 193 E CB -0.332 29.384 29.700 0.027 0.000 0.752 193 E HN 0.476 nan 8.360 nan 0.000 0.449 194 A N 1.289 124.159 122.820 0.085 0.000 1.978 194 A HA -0.160 4.723 4.320 0.939 0.000 0.220 194 A C 2.618 180.278 177.584 0.128 0.000 1.170 194 A CA 1.633 53.727 52.037 0.094 0.000 0.636 194 A CB -0.655 18.405 19.000 0.100 0.000 0.810 194 A HN 0.138 nan 8.150 nan 0.000 0.448 195 V N -0.017 120.010 119.914 0.187 0.000 2.323 195 V HA -0.242 4.442 4.120 0.939 0.000 0.244 195 V C 2.378 178.622 176.094 0.249 0.000 1.041 195 V CA 2.211 64.653 62.300 0.237 0.000 1.025 195 V CB -0.691 31.323 31.823 0.317 0.000 0.656 195 V HN 0.537 nan 8.190 nan 0.000 0.451 196 K N 0.426 120.927 120.400 0.169 0.000 2.103 196 K HA -0.168 4.716 4.320 0.939 0.000 0.207 196 K C 2.273 178.966 176.600 0.156 0.000 1.048 196 K CA 1.486 57.852 56.287 0.131 0.000 0.930 196 K CB -0.425 32.123 32.500 0.080 0.000 0.716 196 K HN 0.489 nan 8.250 nan 0.000 0.444 197 A N 1.818 124.710 122.820 0.120 0.000 1.828 197 A HA -0.157 4.727 4.320 0.939 0.000 0.215 197 A C 2.155 179.792 177.584 0.088 0.000 1.203 197 A CA 1.259 53.350 52.037 0.091 0.000 0.614 197 A CB -0.900 18.138 19.000 0.063 0.000 0.844 197 A HN 0.169 nan 8.150 nan 0.000 0.445 198 L N -2.010 119.251 121.223 0.062 0.000 2.103 198 L HA -0.272 4.632 4.340 0.939 0.000 0.215 198 L C 2.558 179.395 176.870 -0.055 0.000 1.080 198 L CA 1.712 56.539 54.840 -0.021 0.000 0.764 198 L CB -0.545 41.465 42.059 -0.082 0.000 0.890 198 L HN 0.435 nan 8.230 nan 0.000 0.435 199 F N -0.677 119.259 119.950 -0.023 0.000 2.163 199 F HA -0.149 4.941 4.527 0.939 0.000 0.297 199 F C 2.521 178.367 175.800 0.076 0.000 1.094 199 F CA 1.247 59.237 58.000 -0.016 0.000 1.290 199 F CB -0.501 38.380 39.000 -0.197 0.000 1.017 199 F HN -0.005 nan 8.300 nan 0.000 0.483 200 A N -0.563 122.415 122.820 0.262 0.000 1.898 200 A HA -0.213 4.670 4.320 0.939 0.000 0.216 200 A C 2.095 179.744 177.584 0.107 0.000 1.181 200 A CA 1.650 53.797 52.037 0.183 0.000 0.620 200 A CB -0.820 18.263 19.000 0.139 0.000 0.819 200 A HN 0.422 nan 8.150 nan 0.000 0.442 201 E N -0.261 119.983 120.200 0.073 0.000 2.409 201 E HA -0.098 4.815 4.350 0.939 0.000 0.198 201 E C -0.389 176.219 176.600 0.012 0.000 1.024 201 E CA 0.481 56.901 56.400 0.032 0.000 0.861 201 E CB -0.012 29.698 29.700 0.016 0.000 0.788 201 E HN 0.524 nan 8.360 nan 0.000 0.521 202 N N 1.423 120.131 118.700 0.012 0.000 2.726 202 N HA 0.178 5.481 4.740 0.939 0.000 0.253 202 N C -2.817 172.710 175.510 0.028 0.000 1.530 202 N CA -0.928 52.114 53.050 -0.014 0.000 0.772 202 N CB 1.862 40.296 38.487 -0.088 0.000 1.220 202 N HN 0.108 nan 8.380 nan 0.000 0.508 203 P HA 0.121 nan 4.420 nan 0.000 0.276 203 P C 0.786 178.129 177.300 0.072 0.000 1.230 203 P CA 0.624 63.784 63.100 0.099 0.000 0.776 203 P CB 0.948 32.693 31.700 0.075 0.000 0.888 204 G N 2.908 111.769 108.800 0.101 0.000 2.258 204 G HA2 -0.259 4.264 3.960 0.939 0.000 0.274 204 G HA3 -0.259 4.264 3.960 0.939 0.000 0.274 204 G C 0.417 175.345 174.900 0.047 0.000 1.021 204 G CA 0.767 45.910 45.100 0.071 0.000 0.798 204 G HN 0.753 nan 8.290 nan 0.000 0.507 205 E N -1.383 118.841 120.200 0.040 0.000 2.753 205 E HA 0.257 5.171 4.350 0.939 0.000 0.218 205 E C 0.168 176.753 176.600 -0.025 0.000 0.956 205 E CA -0.715 55.688 56.400 0.003 0.000 1.244 205 E CB 0.494 30.187 29.700 -0.012 0.000 1.114 205 E HN 0.317 nan 8.360 nan 0.000 0.530 206 I N 2.309 122.862 120.570 -0.028 0.000 2.304 206 I HA 0.292 5.026 4.170 0.939 0.000 0.291 206 I C 1.329 177.456 176.117 0.018 0.000 1.018 206 I CA -0.364 60.874 61.300 -0.104 0.000 1.260 206 I CB 0.816 38.585 38.000 -0.385 0.000 1.390 206 I HN 0.112 nan 8.210 nan 0.000 0.475 207 A N 5.231 128.056 122.820 0.008 0.000 1.898 207 A HA 0.379 5.263 4.320 0.939 0.000 0.216 207 A C 1.143 178.780 177.584 0.089 0.000 1.181 207 A CA 1.444 53.513 52.037 0.054 0.000 0.620 207 A CB -0.228 18.791 19.000 0.032 0.000 0.819 207 A HN 0.904 nan 8.150 nan 0.000 0.442 208 G N -3.238 105.601 108.800 0.066 0.000 2.335 208 G HA2 0.444 4.967 3.960 0.939 0.000 0.291 208 G HA3 0.444 4.967 3.960 0.939 0.000 0.291 208 G C -1.657 173.281 174.900 0.063 0.000 1.261 208 G CA 0.057 45.222 45.100 0.108 0.000 0.871 208 G HN 0.678 nan 8.290 nan 0.000 0.491 209 V N 0.704 120.664 119.914 0.077 0.000 2.588 209 V HA 0.730 5.413 4.120 0.939 0.000 0.304 209 V C -0.338 175.790 176.094 0.056 0.000 1.042 209 V CA -0.664 61.656 62.300 0.033 0.000 0.877 209 V CB 1.591 33.467 31.823 0.088 0.000 0.996 209 V HN 0.844 nan 8.190 nan 0.000 0.425 210 I N 6.444 127.018 120.570 0.007 0.000 2.509 210 I HA 0.822 5.556 4.170 0.939 0.000 0.293 210 I C -1.134 175.040 176.117 0.095 0.000 1.020 210 I CA -0.719 60.598 61.300 0.028 0.000 1.088 210 I CB 1.680 39.630 38.000 -0.083 0.000 1.267 210 I HN 0.827 nan 8.210 nan 0.000 0.430 211 L N 3.769 125.186 121.223 0.324 0.000 2.838 211 L HA 0.596 5.500 4.340 0.939 0.000 0.266 211 L C -1.715 175.423 176.870 0.445 0.000 1.040 211 L CA -0.928 54.274 54.840 0.603 0.000 0.906 211 L CB 2.081 44.586 42.059 0.742 0.000 1.501 211 L HN 0.494 nan 8.230 nan 0.000 0.407 212 E N 1.481 121.882 120.200 0.335 0.000 2.167 212 E HA 0.251 5.165 4.350 0.939 0.000 0.284 212 E C -2.017 174.588 176.600 0.009 0.000 1.016 212 E CA -1.670 54.787 56.400 0.095 0.000 0.817 212 E CB 1.644 31.337 29.700 -0.010 0.000 1.080 212 E HN 0.482 nan 8.360 nan 0.000 0.397 213 P HA -0.113 nan 4.420 nan 0.000 0.218 213 P C -0.058 177.254 177.300 0.020 0.000 1.146 213 P CA 1.305 64.219 63.100 -0.311 0.000 0.813 213 P CB 0.397 31.746 31.700 -0.586 0.000 0.778 214 I N -0.940 119.633 120.570 0.005 0.000 2.571 214 I HA 0.146 4.879 4.170 0.939 0.000 0.289 214 I C -0.493 175.582 176.117 -0.071 0.000 1.115 214 I CA -1.346 59.957 61.300 0.004 0.000 1.045 214 I CB 2.940 40.966 38.000 0.043 0.000 1.238 214 I HN -0.368 nan 8.210 nan 0.000 0.424 215 V N 3.864 123.653 119.914 -0.210 0.000 2.546 215 V HA 0.722 5.405 4.120 0.939 0.000 0.284 215 V C 0.626 176.701 176.094 -0.032 0.000 1.050 215 V CA 0.419 62.602 62.300 -0.196 0.000 0.981 215 V CB 1.327 32.897 31.823 -0.422 0.000 0.990 215 V HN 0.937 nan 8.190 nan 0.000 0.474 216 G N 3.355 112.192 108.800 0.062 0.000 3.079 216 G HA2 0.078 4.601 3.960 0.939 0.000 0.233 216 G HA3 0.078 4.601 3.960 0.939 0.000 0.233 216 G C 0.739 175.706 174.900 0.112 0.000 1.062 216 G CA -0.082 45.104 45.100 0.143 0.000 0.809 216 G HN 0.663 nan 8.290 nan 0.000 0.535 217 N N 0.870 119.610 118.700 0.066 0.000 2.336 217 N HA 0.059 5.363 4.740 0.939 0.000 0.189 217 N C 0.411 175.937 175.510 0.027 0.000 1.113 217 N CA 0.303 53.378 53.050 0.042 0.000 0.858 217 N CB 0.715 39.218 38.487 0.027 0.000 0.970 217 N HN 0.078 nan 8.380 nan 0.000 0.471 218 S N -0.232 115.521 115.700 0.088 0.000 2.977 218 S HA 0.415 5.449 4.470 0.939 0.000 0.250 218 S C 0.360 175.251 174.600 0.484 0.000 1.005 218 S CA -0.258 58.074 58.200 0.219 0.000 1.081 218 S CB 1.347 64.586 63.200 0.065 0.000 1.018 218 S HN 0.510 nan 8.310 nan 0.000 0.539 219 G N 1.893 110.903 108.800 0.350 0.000 2.707 219 G HA2 -0.119 4.404 3.960 0.939 0.000 0.686 219 G HA3 -0.119 4.404 3.960 0.939 0.000 0.686 219 G C -0.759 174.308 174.900 0.279 0.000 1.315 219 G CA -1.039 44.211 45.100 0.250 0.000 0.832 219 G HN 0.382 nan 8.290 nan 0.000 0.573 220 F N 1.074 121.035 119.950 0.019 0.000 2.472 220 F HA 0.715 5.802 4.527 0.934 0.000 0.364 220 F C 0.581 176.516 175.800 0.225 0.000 1.090 220 F CA -0.673 57.363 58.000 0.061 0.000 1.188 220 F CB 0.217 39.197 39.000 -0.033 0.000 1.105 220 F HN 0.446 nan 8.300 nan 0.000 0.536 221 I N 7.244 127.601 120.570 -0.355 0.000 2.512 221 I HA 0.263 4.996 4.170 0.939 0.000 0.287 221 I C -1.010 174.876 176.117 -0.385 0.000 1.069 221 I CA -0.971 60.158 61.300 -0.286 0.000 1.056 221 I CB 1.893 39.830 38.000 -0.105 0.000 1.229 221 I HN 0.222 nan 8.210 nan 0.000 0.429 222 V N 7.119 126.828 119.914 -0.341 0.000 2.743 222 V HA 0.391 5.074 4.120 0.939 0.000 0.301 222 V C -1.942 174.173 176.094 0.035 0.000 1.057 222 V CA -1.490 60.714 62.300 -0.159 0.000 1.006 222 V CB 1.373 33.120 31.823 -0.127 0.000 1.024 222 V HN 0.573 nan 8.190 nan 0.000 0.473 223 P HA 0.226 nan 4.420 nan 0.000 0.276 223 P C -0.975 176.328 177.300 0.004 0.000 1.230 223 P CA -0.415 62.772 63.100 0.144 0.000 0.776 223 P CB 0.802 32.662 31.700 0.267 0.000 0.888 224 D N 1.047 121.411 120.400 -0.060 0.000 2.344 224 D HA 0.232 5.435 4.640 0.939 0.000 0.244 224 D C 1.535 177.824 176.300 -0.018 0.000 1.134 224 D CA 0.061 54.030 54.000 -0.052 0.000 0.930 224 D CB 0.538 41.292 40.800 -0.076 0.000 1.175 224 D HN 0.404 nan 8.370 nan 0.000 0.437 225 A N 2.059 124.859 122.820 -0.035 0.000 2.557 225 A HA -0.252 4.632 4.320 0.939 0.000 0.260 225 A C 1.550 179.120 177.584 -0.024 0.000 2.292 225 A CA 2.621 54.636 52.037 -0.036 0.000 1.035 225 A CB -1.458 17.530 19.000 -0.020 0.000 0.477 225 A HN 0.693 nan 8.150 nan 0.000 0.426 226 G N -3.187 105.622 108.800 0.015 0.000 3.959 226 G HA2 0.411 4.935 3.960 0.939 0.000 0.298 226 G HA3 0.411 4.935 3.960 0.939 0.000 0.298 226 G C 0.481 175.435 174.900 0.091 0.000 1.211 226 G CA 0.740 45.857 45.100 0.028 0.000 1.001 226 G HN 0.527 nan 8.290 nan 0.000 0.561 227 F N 1.281 121.180 119.950 -0.086 0.000 2.031 227 F HA -0.007 5.084 4.527 0.939 0.000 0.295 227 F C 2.263 178.038 175.800 -0.041 0.000 1.133 227 F CA 1.193 59.133 58.000 -0.100 0.000 1.188 227 F CB -0.397 38.490 39.000 -0.187 0.000 0.974 227 F HN 0.136 nan 8.300 nan 0.000 0.473 228 L N -0.039 121.059 121.223 -0.209 0.000 2.012 228 L HA -0.236 4.668 4.340 0.939 0.000 0.210 228 L C 2.379 179.203 176.870 -0.076 0.000 1.073 228 L CA 1.817 56.534 54.840 -0.206 0.000 0.748 228 L CB -0.905 41.178 42.059 0.039 0.000 0.891 228 L HN 0.114 nan 8.230 nan 0.000 0.431 229 E N 0.374 120.565 120.200 -0.016 0.000 2.097 229 E HA -0.200 4.714 4.350 0.939 0.000 0.196 229 E C 2.162 178.746 176.600 -0.025 0.000 1.000 229 E CA 1.423 57.821 56.400 -0.003 0.000 0.804 229 E CB -0.632 29.073 29.700 0.007 0.000 0.740 229 E HN 0.513 nan 8.360 nan 0.000 0.454 230 G N 0.740 109.522 108.800 -0.029 0.000 2.459 230 G HA2 -0.261 4.263 3.960 0.939 0.000 0.217 230 G HA3 -0.261 4.263 3.960 0.939 0.000 0.217 230 G C 1.541 176.405 174.900 -0.060 0.000 1.183 230 G CA 0.789 45.876 45.100 -0.022 0.000 0.776 230 G HN 0.148 nan 8.290 nan 0.000 0.552 231 L N 0.080 121.229 121.223 -0.124 0.000 2.013 231 L HA -0.182 4.722 4.340 0.939 0.000 0.212 231 L C 3.005 179.829 176.870 -0.078 0.000 1.073 231 L CA 1.743 56.514 54.840 -0.114 0.000 0.753 231 L CB -0.378 41.569 42.059 -0.186 0.000 0.890 231 L HN 0.219 nan 8.230 nan 0.000 0.432 232 R N 0.570 121.034 120.500 -0.061 0.000 2.083 232 R HA -0.209 4.695 4.340 0.939 0.000 0.237 232 R C 2.094 178.356 176.300 -0.063 0.000 1.137 232 R CA 1.819 57.884 56.100 -0.058 0.000 0.951 232 R CB -0.753 29.518 30.300 -0.048 0.000 0.851 232 R HN 0.339 nan 8.270 nan 0.000 0.434 233 E N 0.415 120.582 120.200 -0.054 0.000 2.077 233 E HA -0.175 4.739 4.350 0.939 0.000 0.193 233 E C 2.005 178.564 176.600 -0.068 0.000 0.989 233 E CA 1.628 58.000 56.400 -0.048 0.000 0.800 233 E CB -0.241 29.440 29.700 -0.032 0.000 0.746 233 E HN 0.567 nan 8.360 nan 0.000 0.452 234 I N 0.523 121.026 120.570 -0.112 0.000 2.252 234 I HA -0.216 4.518 4.170 0.939 0.000 0.245 234 I C 2.402 178.321 176.117 -0.330 0.000 1.102 234 I CA 2.010 63.184 61.300 -0.211 0.000 1.385 234 I CB -0.531 37.298 38.000 -0.285 0.000 1.064 234 I HN 0.068 nan 8.210 nan 0.000 0.414 235 T N 0.277 114.657 114.554 -0.289 0.000 2.746 235 T HA -0.171 4.743 4.350 0.939 0.000 0.267 235 T C 2.029 176.679 174.700 -0.082 0.000 1.039 235 T CA 1.548 63.510 62.100 -0.230 0.000 1.142 235 T CB -1.012 67.809 68.868 -0.078 0.000 0.866 235 T HN 0.430 nan 8.240 nan 0.000 0.444 236 L N 0.967 122.156 121.223 -0.057 0.000 1.990 236 L HA -0.174 4.730 4.340 0.939 0.000 0.213 236 L C 3.098 179.970 176.870 0.004 0.000 1.072 236 L CA 2.061 56.888 54.840 -0.021 0.000 0.755 236 L CB -0.537 41.505 42.059 -0.028 0.000 0.889 236 L HN 0.383 nan 8.230 nan 0.000 0.432 237 E N -1.098 119.110 120.200 0.014 0.000 2.160 237 E HA -0.253 4.660 4.350 0.939 0.000 0.195 237 E C 1.607 178.212 176.600 0.009 0.000 0.991 237 E CA 1.361 57.777 56.400 0.026 0.000 0.810 237 E CB -0.094 29.638 29.700 0.052 0.000 0.742 237 E HN 0.601 nan 8.360 nan 0.000 0.466 238 H N -0.151 118.839 119.070 -0.133 0.000 2.551 238 H HA 0.097 5.217 4.556 0.940 0.000 0.271 238 H C -0.359 174.979 175.328 0.016 0.000 0.984 238 H CA 0.032 56.042 56.048 -0.064 0.000 1.164 238 H CB 0.314 30.002 29.762 -0.123 0.000 1.437 238 H HN 0.002 nan 8.280 nan 0.000 0.550 239 D N -0.103 120.359 120.400 0.103 0.000 2.716 239 D HA -0.139 5.064 4.640 0.939 0.000 0.239 239 D C -0.196 176.185 176.300 0.136 0.000 1.125 239 D CA 0.908 54.965 54.000 0.094 0.000 0.681 239 D CB -1.091 39.752 40.800 0.073 0.000 1.070 239 D HN 0.519 nan 8.370 nan 0.000 0.432 240 A N -0.021 122.881 122.820 0.137 0.000 2.354 240 A HA 0.704 5.588 4.320 0.939 0.000 0.321 240 A C -0.288 177.358 177.584 0.103 0.000 1.125 240 A CA -0.605 51.534 52.037 0.170 0.000 0.799 240 A CB 1.385 20.560 19.000 0.290 0.000 1.293 240 A HN 0.095 nan 8.150 nan 0.000 0.452 241 L N 1.005 122.286 121.223 0.095 0.000 2.334 241 L HA 0.416 5.320 4.340 0.939 0.000 0.277 241 L C -0.122 176.761 176.870 0.021 0.000 1.075 241 L CA -0.256 54.602 54.840 0.031 0.000 0.804 241 L CB 1.197 43.261 42.059 0.009 0.000 1.174 241 L HN 0.648 nan 8.230 nan 0.000 0.438 242 L N 4.406 125.610 121.223 -0.031 0.000 2.280 242 L HA 0.560 5.464 4.340 0.939 0.000 0.287 242 L C -1.056 175.775 176.870 -0.065 0.000 1.023 242 L CA -0.475 54.346 54.840 -0.031 0.000 0.819 242 L CB 1.527 43.526 42.059 -0.100 0.000 1.212 242 L HN 0.294 nan 8.230 nan 0.000 0.420 243 V N 4.812 124.756 119.914 0.051 0.000 2.604 243 V HA 0.466 5.149 4.120 0.939 0.000 0.305 243 V C -0.630 175.674 176.094 0.349 0.000 1.043 243 V CA -0.651 61.696 62.300 0.078 0.000 0.888 243 V CB 2.061 33.900 31.823 0.027 0.000 0.995 243 V HN 0.408 nan 8.190 nan 0.000 0.429 244 F N 2.577 122.546 119.950 0.031 0.000 2.402 244 F HA 0.388 5.481 4.527 0.942 0.000 0.355 244 F C 0.344 176.190 175.800 0.076 0.000 1.123 244 F CA -1.696 56.345 58.000 0.068 0.000 1.021 244 F CB 1.448 40.472 39.000 0.041 0.000 1.160 244 F HN 0.537 nan 8.300 nan 0.000 0.451 245 D N 3.997 124.561 120.400 0.274 0.000 2.402 245 D HA 0.054 5.258 4.640 0.939 0.000 0.235 245 D C 0.286 176.677 176.300 0.151 0.000 1.226 245 D CA 0.250 54.382 54.000 0.220 0.000 0.918 245 D CB 0.495 41.514 40.800 0.365 0.000 1.043 245 D HN 0.603 nan 8.370 nan 0.000 0.506 246 E N 2.669 122.944 120.200 0.124 0.000 2.451 246 E HA 0.033 4.947 4.350 0.939 0.000 0.194 246 E C 1.782 178.426 176.600 0.073 0.000 1.027 246 E CA -0.133 56.311 56.400 0.073 0.000 0.914 246 E CB 0.936 30.657 29.700 0.036 0.000 1.054 246 E HN 0.339 nan 8.360 nan 0.000 0.461 247 V N 1.114 121.088 119.914 0.100 0.000 2.370 247 V HA -0.322 4.361 4.120 0.939 0.000 0.252 247 V C 2.229 178.397 176.094 0.123 0.000 1.068 247 V CA 2.090 64.459 62.300 0.114 0.000 1.061 247 V CB -0.343 31.550 31.823 0.116 0.000 0.656 247 V HN 0.375 nan 8.190 nan 0.000 0.455 248 M N -0.244 119.435 119.600 0.132 0.000 2.557 248 M HA -0.075 4.969 4.480 0.939 0.000 0.262 248 M C 2.339 178.735 176.300 0.160 0.000 1.168 248 M CA 1.703 57.100 55.300 0.161 0.000 1.194 248 M CB 0.018 32.752 32.600 0.223 0.000 1.311 248 M HN 0.505 nan 8.290 nan 0.000 0.489 249 T N -1.212 113.418 114.554 0.127 0.000 2.857 249 T HA 0.082 4.996 4.350 0.939 0.000 0.266 249 T C 1.266 175.989 174.700 0.039 0.000 1.048 249 T CA 0.596 62.754 62.100 0.097 0.000 1.139 249 T CB -1.550 67.341 68.868 0.037 0.000 0.874 249 T HN 0.463 nan 8.240 nan 0.000 0.455 250 G N 0.471 109.261 108.800 -0.017 0.000 2.225 250 G HA2 0.314 4.837 3.960 0.939 0.000 0.245 250 G HA3 0.314 4.837 3.960 0.939 0.000 0.245 250 G C 0.001 174.871 174.900 -0.050 0.000 1.249 250 G CA -0.352 44.638 45.100 -0.183 0.000 0.919 250 G HN 0.347 nan 8.290 nan 0.000 0.486 251 F N -0.505 119.434 119.950 -0.018 0.000 2.635 251 F HA -0.275 4.815 4.527 0.938 0.000 0.502 251 F C 2.041 177.978 175.800 0.228 0.000 0.538 251 F CA 1.692 59.718 58.000 0.045 0.000 1.064 251 F CB -1.079 37.938 39.000 0.028 0.000 1.751 251 F HN 0.585 nan 8.300 nan 0.000 0.268 252 R N 0.419 121.107 120.500 0.314 0.000 2.105 252 R HA 0.143 5.046 4.340 0.939 0.000 0.214 252 R C 2.000 178.473 176.300 0.287 0.000 1.091 252 R CA 1.061 57.367 56.100 0.343 0.000 1.007 252 R CB 0.011 30.467 30.300 0.260 0.000 0.912 252 R HN 0.247 nan 8.270 nan 0.000 0.450 253 I N 0.955 121.601 120.570 0.126 0.000 2.233 253 I HA 0.088 4.821 4.170 0.939 0.000 0.243 253 I C 0.985 177.022 176.117 -0.133 0.000 1.093 253 I CA 1.073 62.398 61.300 0.042 0.000 1.380 253 I CB -0.679 37.307 38.000 -0.022 0.000 1.067 253 I HN 0.284 nan 8.210 nan 0.000 0.413 254 A N -2.149 120.483 122.820 -0.312 0.000 2.599 254 A HA 0.344 5.227 4.320 0.939 0.000 0.290 254 A C 0.081 177.343 177.584 -0.536 0.000 1.101 254 A CA -0.544 51.123 52.037 -0.615 0.000 0.674 254 A CB 0.065 18.867 19.000 -0.331 0.000 1.277 254 A HN 0.111 nan 8.150 nan 0.000 0.419 255 Y N 0.867 120.780 120.300 -0.646 0.000 2.181 255 Y HA 0.024 5.138 4.550 0.939 0.000 0.288 255 Y C 2.030 177.865 175.900 -0.107 0.000 1.146 255 Y CA 2.905 60.960 58.100 -0.075 0.000 1.164 255 Y CB 0.031 38.563 38.460 0.119 0.000 0.982 255 Y HN 0.688 nan 8.280 nan 0.000 0.515 256 G N -0.595 108.146 108.800 -0.100 0.000 3.371 256 G HA2 0.399 4.922 3.960 0.939 0.000 0.248 256 G HA3 0.399 4.922 3.960 0.939 0.000 0.248 256 G C 0.712 175.464 174.900 -0.245 0.000 1.161 256 G CA 0.269 45.259 45.100 -0.184 0.000 0.796 256 G HN 0.791 nan 8.290 nan 0.000 0.539 257 G N -0.549 108.070 108.800 -0.301 0.000 2.692 257 G HA2 -0.254 4.270 3.960 0.939 0.000 0.248 257 G HA3 -0.254 4.270 3.960 0.939 0.000 0.248 257 G C 1.084 175.868 174.900 -0.192 0.000 1.340 257 G CA -0.125 44.831 45.100 -0.240 0.000 0.896 257 G HN 0.611 nan 8.290 nan 0.000 0.570 258 V N 1.466 121.279 119.914 -0.168 0.000 2.392 258 V HA -0.281 4.403 4.120 0.939 0.000 0.249 258 V C 3.076 179.098 176.094 -0.121 0.000 1.059 258 V CA 3.263 65.412 62.300 -0.253 0.000 1.051 258 V CB -0.923 30.780 31.823 -0.200 0.000 0.658 258 V HN 0.884 nan 8.190 nan 0.000 0.455 259 Q N 0.752 120.600 119.800 0.081 0.000 2.135 259 Q HA -0.308 4.596 4.340 0.939 0.000 0.204 259 Q C 2.150 178.183 176.000 0.055 0.000 0.981 259 Q CA 2.270 58.180 55.803 0.179 0.000 0.856 259 Q CB -0.515 28.331 28.738 0.180 0.000 0.902 259 Q HN 0.786 nan 8.270 nan 0.000 0.425 260 E N 1.189 121.376 120.200 -0.021 0.000 2.072 260 E HA -0.203 4.710 4.350 0.939 0.000 0.190 260 E C 1.984 178.564 176.600 -0.033 0.000 0.982 260 E CA 1.075 57.461 56.400 -0.024 0.000 0.803 260 E CB 0.110 29.783 29.700 -0.045 0.000 0.755 260 E HN 0.208 nan 8.360 nan 0.000 0.453 261 K N -0.231 120.087 120.400 -0.136 0.000 2.097 261 K HA -0.113 4.771 4.320 0.939 0.000 0.206 261 K C 0.974 177.557 176.600 -0.028 0.000 1.049 261 K CA 1.304 57.464 56.287 -0.212 0.000 0.933 261 K CB -0.104 32.072 32.500 -0.539 0.000 0.717 261 K HN 0.143 nan 8.250 nan 0.000 0.442 262 F N -0.624 119.364 119.950 0.063 0.000 2.654 262 F HA 0.379 5.469 4.527 0.938 0.000 0.303 262 F C 1.318 177.156 175.800 0.063 0.000 1.099 262 F CA -0.352 57.687 58.000 0.066 0.000 1.270 262 F CB 0.307 39.353 39.000 0.076 0.000 1.024 262 F HN 0.228 nan 8.300 nan 0.000 0.548 263 G N 0.679 109.600 108.800 0.202 0.000 2.175 263 G HA2 -0.281 4.243 3.960 0.939 0.000 0.265 263 G HA3 -0.281 4.243 3.960 0.939 0.000 0.265 263 G C 0.136 175.103 174.900 0.110 0.000 0.979 263 G CA 0.454 45.632 45.100 0.129 0.000 0.663 263 G HN 0.189 nan 8.290 nan 0.000 0.533 264 V N 1.093 121.102 119.914 0.158 0.000 2.407 264 V HA 0.586 5.269 4.120 0.939 0.000 0.278 264 V C 0.518 176.622 176.094 0.017 0.000 1.037 264 V CA 0.039 62.405 62.300 0.110 0.000 0.900 264 V CB 1.707 33.646 31.823 0.194 0.000 0.983 264 V HN 0.228 nan 8.190 nan 0.000 0.459 265 T N 7.869 122.374 114.554 -0.083 0.000 2.770 265 T HA 0.397 5.311 4.350 0.939 0.000 0.297 265 T C -2.201 172.312 174.700 -0.312 0.000 0.997 265 T CA -0.818 61.177 62.100 -0.174 0.000 0.949 265 T CB 1.493 70.300 68.868 -0.101 0.000 0.941 265 T HN 0.564 nan 8.240 nan 0.000 0.457 266 P HA 0.351 nan 4.420 nan 0.000 0.279 266 P C -0.039 177.070 177.300 -0.317 0.000 1.282 266 P CA -0.374 62.367 63.100 -0.598 0.000 0.788 266 P CB 1.251 32.312 31.700 -1.065 0.000 1.139 267 D N -1.127 119.128 120.400 -0.242 0.000 2.271 267 D HA 0.136 5.340 4.640 0.939 0.000 0.206 267 D C 0.445 176.650 176.300 -0.159 0.000 0.967 267 D CA 1.080 54.973 54.000 -0.177 0.000 0.867 267 D CB 0.182 40.889 40.800 -0.156 0.000 0.960 267 D HN 0.084 nan 8.370 nan 0.000 0.509 268 L N -0.769 120.368 121.223 -0.143 0.000 2.479 268 L HA 0.437 5.340 4.340 0.939 0.000 0.255 268 L C -0.537 176.303 176.870 -0.049 0.000 1.026 268 L CA -0.574 54.215 54.840 -0.086 0.000 0.842 268 L CB 2.213 44.233 42.059 -0.066 0.000 1.444 268 L HN -0.152 nan 8.230 nan 0.000 0.409 269 T N -1.131 113.425 114.554 0.003 0.000 2.889 269 T HA 0.747 5.661 4.350 0.939 0.000 0.315 269 T C -1.075 173.674 174.700 0.080 0.000 1.291 269 T CA 0.068 62.203 62.100 0.058 0.000 1.028 269 T CB 1.620 70.517 68.868 0.049 0.000 1.235 269 T HN 0.854 nan 8.240 nan 0.000 0.491 270 T N 2.104 116.718 114.554 0.100 0.000 2.856 270 T HA 0.793 5.707 4.350 0.939 0.000 0.283 270 T C -0.398 174.363 174.700 0.100 0.000 1.008 270 T CA -0.764 61.401 62.100 0.108 0.000 0.997 270 T CB 0.921 69.839 68.868 0.084 0.000 0.992 270 T HN 0.648 nan 8.240 nan 0.000 0.454 271 L N 1.529 122.822 121.223 0.117 0.000 2.256 271 L HA 0.987 5.891 4.340 0.939 0.000 0.261 271 L C 0.753 177.713 176.870 0.150 0.000 1.022 271 L CA -1.019 53.898 54.840 0.128 0.000 0.828 271 L CB 2.005 44.156 42.059 0.154 0.000 1.374 271 L HN 1.121 nan 8.230 nan 0.000 0.436 272 G N -1.083 107.815 108.800 0.163 0.000 2.325 272 G HA2 0.319 4.843 3.960 0.939 0.000 0.295 272 G HA3 0.319 4.843 3.960 0.939 0.000 0.295 272 G C -0.890 174.094 174.900 0.139 0.000 1.274 272 G CA -0.078 45.109 45.100 0.146 0.000 0.857 272 G HN 0.520 nan 8.290 nan 0.000 0.499 273 K N -1.256 119.213 120.400 0.115 0.000 3.860 273 K HA -0.333 4.550 4.320 0.939 0.000 0.215 273 K C 2.076 178.721 176.600 0.075 0.000 0.729 273 K CA 2.382 58.725 56.287 0.093 0.000 0.634 273 K CB -1.435 31.115 32.500 0.083 0.000 0.774 273 K HN 0.442 nan 8.250 nan 0.000 0.793 274 I N 0.888 121.508 120.570 0.083 0.000 2.185 274 I HA -0.289 4.445 4.170 0.939 0.000 0.246 274 I C 2.402 178.517 176.117 -0.002 0.000 1.088 274 I CA 1.824 63.157 61.300 0.054 0.000 1.347 274 I CB -0.263 37.803 38.000 0.111 0.000 1.041 274 I HN 0.350 nan 8.210 nan 0.000 0.415 275 I N 0.486 121.082 120.570 0.043 0.000 2.800 275 I HA -0.192 4.542 4.170 0.939 0.000 0.266 275 I C 1.797 177.879 176.117 -0.057 0.000 1.249 275 I CA 1.317 62.601 61.300 -0.027 0.000 1.458 275 I CB -0.178 37.895 38.000 0.122 0.000 1.093 275 I HN 0.244 nan 8.210 nan 0.000 0.466 276 G N -0.729 108.054 108.800 -0.027 0.000 3.324 276 G HA2 0.220 4.744 3.960 0.939 0.000 0.251 276 G HA3 0.220 4.744 3.960 0.939 0.000 0.251 276 G C 1.128 176.007 174.900 -0.036 0.000 1.072 276 G CA 0.284 45.358 45.100 -0.044 0.000 0.787 276 G HN 0.493 nan 8.290 nan 0.000 0.537 277 G N -0.018 108.760 108.800 -0.036 0.000 2.337 277 G HA2 0.193 4.717 3.960 0.939 0.000 0.290 277 G HA3 0.193 4.717 3.960 0.939 0.000 0.290 277 G C 1.128 176.034 174.900 0.011 0.000 1.003 277 G CA 1.094 46.180 45.100 -0.024 0.000 0.825 277 G HN 1.863 nan 8.290 nan 0.000 0.509 278 G N -2.780 106.037 108.800 0.028 0.000 2.167 278 G HA2 0.123 4.647 3.960 0.939 0.000 0.194 278 G HA3 0.123 4.647 3.960 0.939 0.000 0.194 278 G C -0.199 174.728 174.900 0.046 0.000 1.027 278 G CA 0.268 45.401 45.100 0.055 0.000 0.717 278 G HN 1.401 nan 8.290 nan 0.000 0.501 279 L N -0.277 120.964 121.223 0.030 0.000 2.455 279 L HA 0.638 5.542 4.340 0.939 0.000 0.264 279 L C -2.270 174.615 176.870 0.025 0.000 0.968 279 L CA -2.129 52.724 54.840 0.020 0.000 0.827 279 L CB 2.097 44.152 42.059 -0.006 0.000 1.317 279 L HN -0.117 nan 8.230 nan 0.000 0.407 280 P HA 0.144 nan 4.420 nan 0.000 0.250 280 P C -1.133 176.186 177.300 0.033 0.000 1.161 280 P CA 0.452 63.577 63.100 0.042 0.000 0.863 280 P CB 0.150 31.874 31.700 0.040 0.000 0.827 281 V N 2.602 122.545 119.914 0.048 0.000 3.204 281 V HA 0.885 5.569 4.120 0.939 0.000 0.298 281 V C 0.205 176.355 176.094 0.094 0.000 1.328 281 V CA -0.443 61.886 62.300 0.049 0.000 1.035 281 V CB 2.561 34.388 31.823 0.007 0.000 1.095 281 V HN 0.629 nan 8.190 nan 0.000 0.442 282 G N 0.409 109.291 108.800 0.136 0.000 2.576 282 G HA2 0.970 5.494 3.960 0.939 0.000 0.290 282 G HA3 0.970 5.494 3.960 0.939 0.000 0.290 282 G C -1.484 173.559 174.900 0.239 0.000 1.442 282 G CA 0.127 45.330 45.100 0.171 0.000 0.792 282 G HN 1.634 nan 8.290 nan 0.000 0.491 283 A N -0.770 122.183 122.820 0.220 0.000 2.608 283 A HA 0.881 5.765 4.320 0.939 0.000 0.292 283 A C -1.725 175.948 177.584 0.147 0.000 1.066 283 A CA -0.583 51.546 52.037 0.153 0.000 0.676 283 A CB 1.319 20.420 19.000 0.167 0.000 1.277 283 A HN 2.256 nan 8.150 nan 0.000 0.413 284 Y N -0.945 119.314 120.300 -0.069 0.000 2.433 284 Y HA 0.847 5.960 4.550 0.939 0.000 0.337 284 Y C -0.048 175.778 175.900 -0.123 0.000 1.026 284 Y CA -0.483 57.571 58.100 -0.078 0.000 1.037 284 Y CB 1.228 39.645 38.460 -0.071 0.000 1.245 284 Y HN 1.467 nan 8.280 nan 0.000 0.443 285 G N 0.174 108.953 108.800 -0.035 0.000 2.682 285 G HA2 0.754 5.278 3.960 0.939 0.000 0.290 285 G HA3 0.754 5.278 3.960 0.939 0.000 0.290 285 G C -0.899 173.966 174.900 -0.058 0.000 1.425 285 G CA -0.491 44.541 45.100 -0.113 0.000 0.807 285 G HN 1.523 nan 8.290 nan 0.000 0.482 286 G N -1.054 107.694 108.800 -0.086 0.000 2.435 286 G HA2 0.413 4.936 3.960 0.939 0.000 0.228 286 G HA3 0.413 4.936 3.960 0.939 0.000 0.228 286 G C -1.144 173.696 174.900 -0.101 0.000 1.198 286 G CA -0.881 44.164 45.100 -0.092 0.000 0.948 286 G HN 0.619 nan 8.290 nan 0.000 0.487 287 K N 0.768 121.097 120.400 -0.117 0.000 2.448 287 K HA 0.171 5.054 4.320 0.939 0.000 0.278 287 K C 1.478 178.017 176.600 -0.102 0.000 1.009 287 K CA -0.230 55.992 56.287 -0.108 0.000 0.995 287 K CB 1.491 33.916 32.500 -0.125 0.000 0.917 287 K HN 0.544 nan 8.250 nan 0.000 0.481 288 R N 2.622 123.078 120.500 -0.073 0.000 2.132 288 R HA -0.228 4.676 4.340 0.939 0.000 0.233 288 R C 1.813 178.087 176.300 -0.044 0.000 1.125 288 R CA 2.310 58.377 56.100 -0.055 0.000 0.914 288 R CB -0.141 30.137 30.300 -0.036 0.000 0.845 288 R HN 0.790 nan 8.270 nan 0.000 0.431 289 E N 0.423 120.607 120.200 -0.027 0.000 2.208 289 E HA -0.258 4.656 4.350 0.939 0.000 0.202 289 E C 1.992 178.608 176.600 0.027 0.000 1.014 289 E CA 1.813 58.225 56.400 0.019 0.000 0.819 289 E CB -0.579 29.151 29.700 0.051 0.000 0.735 289 E HN 0.572 nan 8.360 nan 0.000 0.469 290 I N 0.129 120.630 120.570 -0.115 0.000 2.494 290 I HA -0.121 4.612 4.170 0.939 0.000 0.250 290 I C 2.542 178.621 176.117 -0.062 0.000 1.112 290 I CA 0.499 61.667 61.300 -0.220 0.000 1.438 290 I CB -0.249 37.445 38.000 -0.510 0.000 1.111 290 I HN -0.023 nan 8.210 nan 0.000 0.431 291 M N 0.352 119.914 119.600 -0.063 0.000 2.358 291 M HA -0.178 4.865 4.480 0.939 0.000 0.264 291 M C 2.148 178.445 176.300 -0.006 0.000 1.064 291 M CA 1.359 56.639 55.300 -0.033 0.000 1.093 291 M CB -1.064 31.494 32.600 -0.071 0.000 1.401 291 M HN 0.239 nan 8.290 nan 0.000 0.440 292 Q N 0.407 120.212 119.800 0.008 0.000 2.197 292 Q HA -0.109 4.795 4.340 0.939 0.000 0.207 292 Q C 1.944 177.967 176.000 0.039 0.000 0.984 292 Q CA 1.245 57.062 55.803 0.022 0.000 0.869 292 Q CB -0.871 27.889 28.738 0.036 0.000 0.906 292 Q HN 0.417 nan 8.270 nan 0.000 0.426 293 L N -0.574 120.687 121.223 0.064 0.000 2.551 293 L HA -0.030 4.873 4.340 0.939 0.000 0.228 293 L C 0.353 177.259 176.870 0.061 0.000 1.153 293 L CA 0.383 55.266 54.840 0.073 0.000 0.851 293 L CB -0.403 41.720 42.059 0.106 0.000 0.959 293 L HN -0.147 nan 8.230 nan 0.000 0.451 294 V N 0.537 120.480 119.914 0.047 0.000 2.461 294 V HA 0.480 5.164 4.120 0.939 0.000 0.275 294 V C 0.940 177.044 176.094 0.017 0.000 1.047 294 V CA -1.164 61.159 62.300 0.039 0.000 0.955 294 V CB 0.517 32.365 31.823 0.041 0.000 0.988 294 V HN 0.237 nan 8.190 nan 0.000 0.471 295 A N 7.932 130.763 122.820 0.018 0.000 2.561 295 A HA 0.303 5.186 4.320 0.939 0.000 0.234 295 A C -0.547 177.024 177.584 -0.022 0.000 1.055 295 A CA -0.430 51.623 52.037 0.027 0.000 0.756 295 A CB -0.107 18.936 19.000 0.072 0.000 0.986 295 A HN 0.806 nan 8.150 nan 0.000 0.505 296 P HA 0.117 nan 4.420 nan 0.000 0.255 296 P C 1.061 178.382 177.300 0.035 0.000 1.248 296 P CA 0.881 64.008 63.100 0.044 0.000 0.807 296 P CB 0.310 32.038 31.700 0.047 0.000 1.150 297 A N 0.295 123.126 122.820 0.018 0.000 1.933 297 A HA 0.206 5.089 4.320 0.939 0.000 0.218 297 A C 1.427 179.027 177.584 0.028 0.000 1.175 297 A CA 1.579 53.626 52.037 0.016 0.000 0.628 297 A CB -1.037 17.965 19.000 0.003 0.000 0.814 297 A HN 0.387 nan 8.150 nan 0.000 0.444 298 G N -2.642 106.180 108.800 0.037 0.000 3.105 298 G HA2 0.492 5.016 3.960 0.939 0.000 0.277 298 G HA3 0.492 5.016 3.960 0.939 0.000 0.277 298 G C -2.139 172.799 174.900 0.063 0.000 1.375 298 G CA -0.058 45.070 45.100 0.047 0.000 0.962 298 G HN -0.055 nan 8.290 nan 0.000 0.541 299 P HA 0.045 nan 4.420 nan 0.000 0.231 299 P C 0.760 178.117 177.300 0.096 0.000 1.168 299 P CA 0.447 63.589 63.100 0.071 0.000 0.779 299 P CB 0.428 32.156 31.700 0.047 0.000 0.844 300 M N 0.483 120.137 119.600 0.091 0.000 2.146 300 M HA 0.161 5.205 4.480 0.939 0.000 0.352 300 M C -0.938 175.444 176.300 0.137 0.000 1.343 300 M CA -0.668 54.691 55.300 0.098 0.000 1.115 300 M CB 0.226 32.866 32.600 0.066 0.000 1.657 300 M HN -0.180 nan 8.290 nan 0.000 0.471 301 Y N 4.638 124.947 120.300 0.015 0.000 2.304 301 Y HA 0.312 5.426 4.550 0.939 0.000 0.328 301 Y C -0.209 175.704 175.900 0.022 0.000 1.123 301 Y CA 0.490 58.601 58.100 0.019 0.000 1.218 301 Y CB 0.631 39.098 38.460 0.012 0.000 1.207 301 Y HN 0.600 nan 8.280 nan 0.000 0.495 302 Q N 4.297 123.781 119.800 -0.526 0.000 2.429 302 Q HA 0.604 5.507 4.340 0.939 0.000 0.247 302 Q C -2.219 173.496 176.000 -0.475 0.000 0.915 302 Q CA -0.333 55.283 55.803 -0.311 0.000 0.971 302 Q CB 1.302 29.997 28.738 -0.072 0.000 1.468 302 Q HN 0.875 nan 8.270 nan 0.000 0.439 303 A N 1.494 124.116 122.820 -0.330 0.000 2.507 303 A HA 1.080 5.963 4.320 0.939 0.000 0.284 303 A C -0.675 176.880 177.584 -0.048 0.000 1.281 303 A CA -0.301 51.607 52.037 -0.214 0.000 0.744 303 A CB 1.860 20.745 19.000 -0.192 0.000 1.332 303 A HN 1.098 nan 8.150 nan 0.000 0.454 304 G N -1.433 107.364 108.800 -0.006 0.000 2.139 304 G HA2 0.461 4.984 3.960 0.939 0.000 0.315 304 G HA3 0.461 4.984 3.960 0.939 0.000 0.315 304 G C 0.008 174.928 174.900 0.034 0.000 1.599 304 G CA 0.504 45.620 45.100 0.026 0.000 0.960 304 G HN 0.709 nan 8.290 nan 0.000 0.615 305 T N 2.216 116.795 114.554 0.041 0.000 2.595 305 T HA -0.141 4.772 4.350 0.939 0.000 0.264 305 T C 2.274 176.996 174.700 0.037 0.000 1.058 305 T CA 1.400 63.525 62.100 0.043 0.000 1.166 305 T CB -0.172 68.723 68.868 0.044 0.000 0.863 305 T HN 0.244 nan 8.240 nan 0.000 0.415 306 L N 1.533 122.775 121.223 0.031 0.000 2.645 306 L HA 0.171 5.074 4.340 0.939 0.000 0.235 306 L C 0.699 177.575 176.870 0.010 0.000 1.150 306 L CA 0.042 54.893 54.840 0.018 0.000 0.911 306 L CB -0.369 41.700 42.059 0.015 0.000 1.077 306 L HN 0.029 nan 8.230 nan 0.000 0.438 307 S N 0.144 115.860 115.700 0.026 0.000 2.549 307 S HA 0.341 5.374 4.470 0.939 0.000 0.283 307 S C 1.278 175.891 174.600 0.022 0.000 1.320 307 S CA 0.276 58.499 58.200 0.039 0.000 1.058 307 S CB 0.730 63.965 63.200 0.058 0.000 0.882 307 S HN 0.580 nan 8.310 nan 0.000 0.498 308 G N 2.866 111.667 108.800 0.002 0.000 2.179 308 G HA2 -0.309 4.215 3.960 0.939 0.000 0.257 308 G HA3 -0.309 4.215 3.960 0.939 0.000 0.257 308 G C -0.090 174.732 174.900 -0.131 0.000 1.010 308 G CA 0.305 45.369 45.100 -0.061 0.000 0.736 308 G HN 0.966 nan 8.290 nan 0.000 0.513 309 N N 0.132 118.750 118.700 -0.138 0.000 2.416 309 N HA 0.406 5.710 4.740 0.939 0.000 0.246 309 N C -0.375 174.972 175.510 -0.272 0.000 1.260 309 N CA -0.813 52.117 53.050 -0.200 0.000 0.897 309 N CB 0.938 39.340 38.487 -0.142 0.000 1.110 309 N HN 0.145 nan 8.380 nan 0.000 0.439 310 P HA -0.203 nan 4.420 nan 0.000 0.215 310 P C 1.394 178.555 177.300 -0.232 0.000 1.157 310 P CA 1.342 64.216 63.100 -0.377 0.000 0.868 310 P CB 0.150 31.482 31.700 -0.612 0.000 0.788 311 L N -0.638 120.473 121.223 -0.188 0.000 2.042 311 L HA -0.171 4.733 4.340 0.939 0.000 0.210 311 L C 2.784 179.583 176.870 -0.118 0.000 1.076 311 L CA 1.822 56.589 54.840 -0.121 0.000 0.749 311 L CB -1.079 40.930 42.059 -0.083 0.000 0.893 311 L HN -0.022 nan 8.230 nan 0.000 0.432 312 A N -0.718 122.021 122.820 -0.135 0.000 1.930 312 A HA -0.177 4.707 4.320 0.939 0.000 0.217 312 A C 2.213 179.685 177.584 -0.186 0.000 1.175 312 A CA 1.216 53.171 52.037 -0.137 0.000 0.627 312 A CB -0.253 18.668 19.000 -0.132 0.000 0.815 312 A HN 0.278 nan 8.150 nan 0.000 0.443 313 M N -0.220 119.244 119.600 -0.227 0.000 2.229 313 M HA -0.065 4.978 4.480 0.939 0.000 0.264 313 M C 2.071 178.264 176.300 -0.178 0.000 1.063 313 M CA 1.772 56.918 55.300 -0.257 0.000 1.114 313 M CB -2.058 30.385 32.600 -0.261 0.000 1.387 313 M HN 0.390 nan 8.290 nan 0.000 0.420 314 T N 1.396 115.864 114.554 -0.143 0.000 2.701 314 T HA -0.018 4.895 4.350 0.939 0.000 0.263 314 T C 1.903 176.547 174.700 -0.094 0.000 1.040 314 T CA 1.720 63.758 62.100 -0.104 0.000 1.147 314 T CB -0.331 68.486 68.868 -0.085 0.000 0.865 314 T HN 0.484 nan 8.240 nan 0.000 0.426 315 A N 1.075 123.840 122.820 -0.092 0.000 2.121 315 A HA 0.207 5.090 4.320 0.939 0.000 0.218 315 A C 2.460 179.984 177.584 -0.100 0.000 1.154 315 A CA 1.591 53.581 52.037 -0.078 0.000 0.679 315 A CB -1.046 17.920 19.000 -0.057 0.000 0.795 315 A HN 0.514 nan 8.150 nan 0.000 0.458 316 G N 0.143 108.866 108.800 -0.128 0.000 2.395 316 G HA2 -0.081 4.443 3.960 0.939 0.000 0.214 316 G HA3 -0.081 4.443 3.960 0.939 0.000 0.214 316 G C 1.476 176.286 174.900 -0.150 0.000 1.177 316 G CA 0.958 45.968 45.100 -0.151 0.000 0.794 316 G HN 0.456 nan 8.290 nan 0.000 0.532 317 I N 0.206 120.700 120.570 -0.127 0.000 2.226 317 I HA -0.090 4.643 4.170 0.939 0.000 0.245 317 I C 2.676 178.738 176.117 -0.091 0.000 1.100 317 I CA 0.980 62.222 61.300 -0.097 0.000 1.374 317 I CB -0.070 37.885 38.000 -0.075 0.000 1.057 317 I HN 0.010 nan 8.210 nan 0.000 0.413 318 K N 0.852 121.194 120.400 -0.096 0.000 2.097 318 K HA -0.107 4.776 4.320 0.939 0.000 0.206 318 K C 2.069 178.586 176.600 -0.138 0.000 1.049 318 K CA 1.616 57.840 56.287 -0.106 0.000 0.933 318 K CB -0.698 31.744 32.500 -0.097 0.000 0.717 318 K HN 0.201 nan 8.250 nan 0.000 0.442 319 T N 1.373 115.843 114.554 -0.139 0.000 2.708 319 T HA -0.054 4.859 4.350 0.939 0.000 0.266 319 T C 1.598 176.216 174.700 -0.136 0.000 1.037 319 T CA 1.165 63.175 62.100 -0.149 0.000 1.146 319 T CB -0.104 68.681 68.868 -0.138 0.000 0.865 319 T HN 0.095 nan 8.240 nan 0.000 0.435 320 L N 0.845 121.980 121.223 -0.148 0.000 2.201 320 L HA -0.042 4.861 4.340 0.939 0.000 0.212 320 L C 2.551 179.437 176.870 0.027 0.000 1.105 320 L CA 1.413 56.205 54.840 -0.080 0.000 0.775 320 L CB -0.745 41.234 42.059 -0.133 0.000 0.913 320 L HN 0.428 nan 8.230 nan 0.000 0.440 321 E N 0.382 120.561 120.200 -0.036 0.000 2.072 321 E HA -0.166 4.748 4.350 0.939 0.000 0.191 321 E C 2.377 178.940 176.600 -0.061 0.000 0.985 321 E CA 0.841 57.219 56.400 -0.037 0.000 0.801 321 E CB -0.027 29.641 29.700 -0.054 0.000 0.750 321 E HN 0.463 nan 8.360 nan 0.000 0.452 322 L N 0.702 121.863 121.223 -0.103 0.000 2.131 322 L HA -0.165 4.738 4.340 0.939 0.000 0.210 322 L C 2.347 179.161 176.870 -0.094 0.000 1.092 322 L CA 0.760 55.522 54.840 -0.130 0.000 0.759 322 L CB -0.311 41.609 42.059 -0.233 0.000 0.903 322 L HN 0.158 nan 8.230 nan 0.000 0.435 323 L N -0.792 120.406 121.223 -0.041 0.000 2.291 323 L HA -0.096 4.808 4.340 0.939 0.000 0.214 323 L C 2.405 179.260 176.870 -0.025 0.000 1.120 323 L CA 0.643 55.481 54.840 -0.004 0.000 0.799 323 L CB -0.330 41.850 42.059 0.202 0.000 0.925 323 L HN 0.157 nan 8.230 nan 0.000 0.446 324 R N -0.498 119.963 120.500 -0.066 0.000 2.313 324 R HA 0.004 4.908 4.340 0.939 0.000 0.199 324 R C 0.644 176.872 176.300 -0.120 0.000 0.958 324 R CA -0.050 55.936 56.100 -0.189 0.000 1.047 324 R CB 0.262 30.450 30.300 -0.187 0.000 0.955 324 R HN 0.278 nan 8.270 nan 0.000 0.481 325 Q N 0.383 120.128 119.800 -0.091 0.000 2.500 325 Q HA 0.167 5.071 4.340 0.939 0.000 0.215 325 Q C -2.180 173.783 176.000 -0.062 0.000 1.062 325 Q CA -1.672 54.088 55.803 -0.072 0.000 0.996 325 Q CB -0.128 28.566 28.738 -0.073 0.000 1.239 325 Q HN -0.019 nan 8.270 nan 0.000 0.578 326 P HA 0.157 nan 4.420 nan 0.000 0.276 326 P C -0.035 177.254 177.300 -0.017 0.000 1.230 326 P CA 0.421 63.508 63.100 -0.022 0.000 0.776 326 P CB 0.501 32.192 31.700 -0.015 0.000 0.888 327 G N 2.036 110.843 108.800 0.012 0.000 2.198 327 G HA2 -0.291 4.233 3.960 0.939 0.000 0.260 327 G HA3 -0.291 4.233 3.960 0.939 0.000 0.260 327 G C 1.001 175.916 174.900 0.025 0.000 1.025 327 G CA 0.656 45.779 45.100 0.037 0.000 0.769 327 G HN 0.468 nan 8.290 nan 0.000 0.507 328 T N -0.344 114.182 114.554 -0.046 0.000 2.612 328 T HA -0.085 4.829 4.350 0.939 0.000 0.259 328 T C 1.912 176.499 174.700 -0.188 0.000 1.065 328 T CA 1.976 63.961 62.100 -0.193 0.000 1.167 328 T CB -0.242 68.381 68.868 -0.409 0.000 0.863 328 T HN 0.410 nan 8.240 nan 0.000 0.407 329 Y N 1.442 121.813 120.300 0.119 0.000 2.497 329 Y HA 0.038 5.151 4.550 0.938 0.000 0.292 329 Y C 2.420 178.387 175.900 0.112 0.000 1.137 329 Y CA 0.377 58.552 58.100 0.124 0.000 1.285 329 Y CB -0.400 38.132 38.460 0.119 0.000 0.991 329 Y HN 0.255 nan 8.280 nan 0.000 0.556 330 E N -0.823 119.492 120.200 0.192 0.000 2.028 330 E HA -0.205 4.708 4.350 0.939 0.000 0.190 330 E C 1.867 178.548 176.600 0.136 0.000 0.984 330 E CA 1.216 57.706 56.400 0.149 0.000 0.800 330 E CB -0.592 29.183 29.700 0.126 0.000 0.758 330 E HN 0.514 nan 8.360 nan 0.000 0.448 331 Y N 0.860 121.174 120.300 0.023 0.000 2.207 331 Y HA -0.218 4.895 4.550 0.939 0.000 0.287 331 Y C 1.703 177.612 175.900 0.016 0.000 1.156 331 Y CA 1.482 59.588 58.100 0.010 0.000 1.182 331 Y CB -0.058 38.397 38.460 -0.009 0.000 0.979 331 Y HN 0.003 nan 8.280 nan 0.000 0.521 332 L N -0.624 120.670 121.223 0.117 0.000 2.027 332 L HA -0.187 4.717 4.340 0.939 0.000 0.206 332 L C 2.197 179.063 176.870 -0.007 0.000 1.074 332 L CA 1.740 56.614 54.840 0.055 0.000 0.745 332 L CB -0.723 41.422 42.059 0.143 0.000 0.898 332 L HN 0.125 nan 8.230 nan 0.000 0.433 333 D N -0.293 120.137 120.400 0.049 0.000 2.123 333 D HA -0.263 4.940 4.640 0.939 0.000 0.196 333 D C 2.260 178.534 176.300 -0.043 0.000 0.992 333 D CA 1.247 55.265 54.000 0.031 0.000 0.833 333 D CB 0.072 40.917 40.800 0.074 0.000 0.954 333 D HN 0.202 nan 8.370 nan 0.000 0.455 334 Q N -0.283 119.469 119.800 -0.081 0.000 2.061 334 Q HA -0.160 4.744 4.340 0.939 0.000 0.204 334 Q C 2.393 178.268 176.000 -0.208 0.000 0.984 334 Q CA 1.875 57.596 55.803 -0.137 0.000 0.846 334 Q CB -0.141 28.505 28.738 -0.153 0.000 0.902 334 Q HN 0.589 nan 8.270 nan 0.000 0.421 335 I N -2.845 117.537 120.570 -0.314 0.000 2.480 335 I HA -0.060 4.674 4.170 0.939 0.000 0.251 335 I C 1.888 177.864 176.117 -0.235 0.000 1.124 335 I CA 1.120 62.242 61.300 -0.296 0.000 1.444 335 I CB -0.709 37.072 38.000 -0.364 0.000 1.098 335 I HN -0.081 nan 8.210 nan 0.000 0.428 336 T N 1.081 115.509 114.554 -0.210 0.000 2.881 336 T HA -0.160 4.754 4.350 0.939 0.000 0.270 336 T C 1.826 176.380 174.700 -0.245 0.000 1.068 336 T CA 1.755 63.709 62.100 -0.244 0.000 1.131 336 T CB -0.184 68.596 68.868 -0.146 0.000 0.871 336 T HN 0.393 nan 8.240 nan 0.000 0.479 337 K N 0.925 121.228 120.400 -0.162 0.000 2.044 337 K HA 0.017 4.900 4.320 0.939 0.000 0.204 337 K C 2.506 179.022 176.600 -0.139 0.000 1.049 337 K CA 0.772 56.987 56.287 -0.120 0.000 0.945 337 K CB -0.017 32.443 32.500 -0.067 0.000 0.724 337 K HN 0.091 nan 8.250 nan 0.000 0.440 338 R N 0.764 121.177 120.500 -0.146 0.000 2.105 338 R HA -0.104 4.800 4.340 0.939 0.000 0.239 338 R C 2.176 178.368 176.300 -0.180 0.000 1.135 338 R CA 1.312 57.330 56.100 -0.137 0.000 0.967 338 R CB -0.341 29.882 30.300 -0.128 0.000 0.861 338 R HN 0.273 nan 8.270 nan 0.000 0.442 339 L N 0.113 121.182 121.223 -0.256 0.000 2.068 339 L HA -0.071 4.833 4.340 0.939 0.000 0.204 339 L C 2.231 178.860 176.870 -0.403 0.000 1.076 339 L CA 2.142 56.770 54.840 -0.354 0.000 0.753 339 L CB -0.883 40.897 42.059 -0.465 0.000 0.910 339 L HN 0.466 nan 8.230 nan 0.000 0.439 340 S N -0.034 115.426 115.700 -0.400 0.000 2.359 340 S HA -0.225 4.808 4.470 0.939 0.000 0.224 340 S C 1.568 176.086 174.600 -0.137 0.000 1.035 340 S CA 1.831 59.858 58.200 -0.287 0.000 1.018 340 S CB -0.269 62.813 63.200 -0.197 0.000 0.876 340 S HN 0.501 nan 8.310 nan 0.000 0.448 341 D N 0.942 121.275 120.400 -0.111 0.000 2.117 341 D HA 0.041 5.244 4.640 0.939 0.000 0.198 341 D C 2.249 178.508 176.300 -0.069 0.000 0.982 341 D CA 1.292 55.260 54.000 -0.055 0.000 0.828 341 D CB -1.236 39.535 40.800 -0.047 0.000 0.967 341 D HN 0.549 nan 8.370 nan 0.000 0.464 342 G N 1.084 109.813 108.800 -0.119 0.000 2.469 342 G HA2 -0.237 4.287 3.960 0.939 0.000 0.219 342 G HA3 -0.237 4.287 3.960 0.939 0.000 0.219 342 G C 1.789 176.606 174.900 -0.137 0.000 1.150 342 G CA 0.584 45.611 45.100 -0.121 0.000 0.763 342 G HN 0.251 nan 8.290 nan 0.000 0.561 343 L N -0.126 120.963 121.223 -0.223 0.000 1.994 343 L HA -0.004 4.899 4.340 0.939 0.000 0.208 343 L C 2.924 179.764 176.870 -0.050 0.000 1.071 343 L CA 0.662 55.303 54.840 -0.331 0.000 0.745 343 L CB -0.534 41.068 42.059 -0.762 0.000 0.892 343 L HN 0.161 nan 8.230 nan 0.000 0.431 344 L N -0.314 120.976 121.223 0.112 0.000 2.187 344 L HA -0.212 4.691 4.340 0.939 0.000 0.213 344 L C 2.818 179.756 176.870 0.113 0.000 1.100 344 L CA 1.031 56.002 54.840 0.219 0.000 0.765 344 L CB -0.770 41.387 42.059 0.164 0.000 0.904 344 L HN 0.289 nan 8.230 nan 0.000 0.437 345 A N 0.570 123.419 122.820 0.048 0.000 1.854 345 A HA -0.130 4.753 4.320 0.939 0.000 0.214 345 A C 2.152 179.762 177.584 0.043 0.000 1.192 345 A CA 1.143 53.200 52.037 0.033 0.000 0.611 345 A CB -0.558 18.445 19.000 0.005 0.000 0.832 345 A HN 0.293 nan 8.150 nan 0.000 0.442 346 I N 0.170 120.756 120.570 0.027 0.000 2.315 346 I HA -0.324 4.409 4.170 0.939 0.000 0.251 346 I C 2.855 179.030 176.117 0.096 0.000 1.125 346 I CA 1.081 62.404 61.300 0.038 0.000 1.392 346 I CB -0.225 37.774 38.000 -0.002 0.000 1.065 346 I HN 0.367 nan 8.210 nan 0.000 0.424 347 A N -0.182 122.721 122.820 0.139 0.000 1.898 347 A HA -0.225 4.659 4.320 0.939 0.000 0.216 347 A C 2.238 179.927 177.584 0.174 0.000 1.181 347 A CA 1.343 53.508 52.037 0.214 0.000 0.620 347 A CB -0.470 18.695 19.000 0.275 0.000 0.819 347 A HN 0.298 nan 8.150 nan 0.000 0.442 348 Q N -0.156 119.713 119.800 0.114 0.000 2.124 348 Q HA -0.177 4.727 4.340 0.939 0.000 0.202 348 Q C 1.932 177.966 176.000 0.057 0.000 0.977 348 Q CA 1.917 57.764 55.803 0.073 0.000 0.850 348 Q CB -0.312 28.458 28.738 0.052 0.000 0.901 348 Q HN 0.918 nan 8.270 nan 0.000 0.429 349 E N -0.836 119.400 120.200 0.062 0.000 2.435 349 E HA -0.074 4.840 4.350 0.939 0.000 0.195 349 E C 0.551 177.183 176.600 0.054 0.000 1.029 349 E CA 1.285 57.712 56.400 0.046 0.000 0.865 349 E CB 0.131 29.853 29.700 0.036 0.000 0.833 349 E HN 0.326 nan 8.360 nan 0.000 0.510 350 T N -3.191 111.424 114.554 0.101 0.000 3.129 350 T HA 0.382 5.295 4.350 0.939 0.000 0.267 350 T C 1.180 175.871 174.700 -0.016 0.000 1.018 350 T CA 0.036 62.207 62.100 0.119 0.000 0.903 350 T CB 0.667 69.692 68.868 0.261 0.000 1.067 350 T HN 0.286 nan 8.240 nan 0.000 0.549 351 G N 1.557 110.334 108.800 -0.039 0.000 2.246 351 G HA2 -0.216 4.308 3.960 0.939 0.000 0.273 351 G HA3 -0.216 4.308 3.960 0.939 0.000 0.273 351 G C -0.408 174.328 174.900 -0.274 0.000 1.055 351 G CA -0.049 44.959 45.100 -0.154 0.000 0.851 351 G HN 0.790 nan 8.290 nan 0.000 0.500 352 H N -0.244 118.836 119.070 0.015 0.000 2.547 352 H HA 0.660 5.784 4.556 0.947 0.000 0.342 352 H C 0.543 175.898 175.328 0.046 0.000 1.048 352 H CA 0.087 56.141 56.048 0.010 0.000 1.204 352 H CB 1.734 31.518 29.762 0.037 0.000 1.493 352 H HN 0.579 nan 8.280 nan 0.000 0.511 353 A N 2.722 125.619 122.820 0.127 0.000 2.450 353 A HA 0.691 5.574 4.320 0.939 0.000 0.255 353 A C -0.096 177.552 177.584 0.107 0.000 1.096 353 A CA 0.465 52.552 52.037 0.083 0.000 0.778 353 A CB -0.143 18.881 19.000 0.040 0.000 1.031 353 A HN 0.842 nan 8.150 nan 0.000 0.494 354 A N 0.738 123.568 122.820 0.016 0.000 2.564 354 A HA 0.769 5.653 4.320 0.939 0.000 0.291 354 A C -0.519 176.976 177.584 -0.150 0.000 1.102 354 A CA 0.019 51.965 52.037 -0.151 0.000 0.660 354 A CB 0.598 19.356 19.000 -0.403 0.000 1.283 354 A HN 2.676 nan 8.150 nan 0.000 0.430 355 C N -1.433 117.733 119.300 -0.223 0.000 3.307 355 C HA 1.034 6.057 4.460 0.939 0.000 0.333 355 C C 0.230 175.251 174.990 0.052 0.000 1.291 355 C CA 0.357 59.346 59.018 -0.049 0.000 1.273 355 C CB 1.140 28.874 27.740 -0.011 0.000 1.580 355 C HN 2.680 nan 8.230 nan 0.000 0.481 356 G N -0.038 108.860 108.800 0.163 0.000 2.529 356 G HA2 1.076 5.600 3.960 0.939 0.000 0.238 356 G HA3 1.076 5.600 3.960 0.939 0.000 0.238 356 G C -0.309 174.770 174.900 0.299 0.000 1.207 356 G CA 0.118 45.392 45.100 0.290 0.000 0.928 356 G HN 2.791 nan 8.290 nan 0.000 0.495 357 G N -1.513 107.468 108.800 0.302 0.000 2.336 357 G HA2 0.694 5.217 3.960 0.939 0.000 0.300 357 G HA3 0.694 5.217 3.960 0.939 0.000 0.300 357 G C -1.704 173.259 174.900 0.104 0.000 1.375 357 G CA 0.638 45.913 45.100 0.292 0.000 0.885 357 G HN 1.779 nan 8.290 nan 0.000 0.599 358 Q N -1.953 117.903 119.800 0.092 0.000 2.472 358 Q HA 0.745 5.649 4.340 0.939 0.000 0.281 358 Q C -1.588 174.493 176.000 0.135 0.000 0.997 358 Q CA -1.054 54.621 55.803 -0.212 0.000 0.828 358 Q CB 2.174 30.822 28.738 -0.151 0.000 1.443 358 Q HN 1.272 nan 8.270 nan 0.000 0.390 359 V N 1.546 121.557 119.914 0.161 0.000 2.532 359 V HA 0.708 5.392 4.120 0.939 0.000 0.294 359 V C 0.113 176.314 176.094 0.178 0.000 1.036 359 V CA 0.283 62.745 62.300 0.270 0.000 0.876 359 V CB 0.736 32.820 31.823 0.434 0.000 1.012 359 V HN 1.096 nan 8.190 nan 0.000 0.432 360 S N 4.167 119.954 115.700 0.144 0.000 3.426 360 S HA -0.172 4.862 4.470 0.939 0.000 0.630 360 S C 1.195 175.873 174.600 0.130 0.000 2.670 360 S CA 1.206 59.503 58.200 0.161 0.000 3.374 360 S CB -1.233 62.093 63.200 0.211 0.000 0.296 360 S HN 2.157 nan 8.310 nan 0.000 1.445 361 G N 1.111 110.019 108.800 0.180 0.000 3.471 361 G HA2 0.459 4.983 3.960 0.939 0.000 0.254 361 G HA3 0.459 4.983 3.960 0.939 0.000 0.254 361 G C -0.158 174.871 174.900 0.214 0.000 1.199 361 G CA 0.598 45.796 45.100 0.163 0.000 1.683 361 G HN 0.725 nan 8.290 nan 0.000 0.625 362 M N 0.710 120.387 119.600 0.127 0.000 2.378 362 M HA 0.681 5.725 4.480 0.939 0.000 0.289 362 M C -1.653 174.451 176.300 -0.326 0.000 1.136 362 M CA -1.074 54.235 55.300 0.016 0.000 0.917 362 M CB 1.978 34.661 32.600 0.139 0.000 1.669 362 M HN 0.132 nan 8.290 nan 0.000 0.461 363 F N 1.662 121.173 119.950 -0.731 0.000 2.754 363 F HA 1.037 6.129 4.527 0.942 0.000 0.320 363 F C -0.904 174.505 175.800 -0.652 0.000 1.156 363 F CA -0.712 56.722 58.000 -0.943 0.000 0.950 363 F CB 1.117 39.819 39.000 -0.496 0.000 1.388 363 F HN 0.598 nan 8.300 nan 0.000 0.485 364 G N -0.126 108.529 108.800 -0.241 0.000 2.690 364 G HA2 0.620 5.144 3.960 0.939 0.000 0.293 364 G HA3 0.620 5.144 3.960 0.939 0.000 0.293 364 G C -2.765 172.147 174.900 0.021 0.000 1.399 364 G CA -0.818 44.154 45.100 -0.212 0.000 0.890 364 G HN 0.944 nan 8.290 nan 0.000 0.485 365 F N 1.235 120.922 119.950 -0.439 0.000 2.787 365 F HA 0.678 5.753 4.527 0.914 0.000 0.340 365 F C -1.843 173.689 175.800 -0.447 0.000 1.232 365 F CA -1.401 56.425 58.000 -0.290 0.000 1.051 365 F CB 1.194 40.071 39.000 -0.205 0.000 1.330 365 F HN 0.330 nan 8.300 nan 0.000 0.522 366 F N 5.621 125.258 119.950 -0.521 0.000 2.469 366 F HA 0.439 5.530 4.527 0.940 0.000 0.332 366 F C -0.411 175.075 175.800 -0.523 0.000 1.103 366 F CA -0.879 56.874 58.000 -0.412 0.000 0.979 366 F CB 0.990 39.871 39.000 -0.198 0.000 1.137 366 F HN 0.222 nan 8.300 nan 0.000 0.463 367 F N 2.330 122.225 119.950 -0.091 0.000 2.679 367 F HA 0.365 5.419 4.527 0.878 0.000 0.351 367 F C 0.589 176.353 175.800 -0.060 0.000 1.279 367 F CA 0.017 57.940 58.000 -0.129 0.000 1.227 367 F CB -0.440 38.537 39.000 -0.039 0.000 1.623 367 F HN 0.426 nan 8.300 nan 0.000 0.666 368 T N 0.532 115.146 114.554 0.099 0.000 2.774 368 T HA 0.143 5.057 4.350 0.939 0.000 0.325 368 T C 0.491 175.186 174.700 -0.008 0.000 1.753 368 T CA -0.571 61.554 62.100 0.041 0.000 1.024 368 T CB 0.879 69.753 68.868 0.010 0.000 1.628 368 T HN 0.531 nan 8.240 nan 0.000 0.497 369 E N 1.331 121.524 120.200 -0.012 0.000 2.481 369 E HA 0.349 5.263 4.350 0.939 0.000 0.195 369 E C 1.344 177.923 176.600 -0.035 0.000 1.047 369 E CA 0.300 56.689 56.400 -0.018 0.000 0.867 369 E CB -0.352 29.343 29.700 -0.009 0.000 0.858 369 E HN 1.114 nan 8.360 nan 0.000 0.513 370 G N 2.489 111.252 108.800 -0.061 0.000 2.602 370 G HA2 -0.310 4.214 3.960 0.939 0.000 0.306 370 G HA3 -0.310 4.214 3.960 0.939 0.000 0.306 370 G C -2.065 172.814 174.900 -0.036 0.000 1.301 370 G CA 0.198 45.246 45.100 -0.087 0.000 0.974 370 G HN 0.397 nan 8.290 nan 0.000 0.547 371 P HA 0.515 nan 4.420 nan 0.000 0.277 371 P C -0.255 176.961 177.300 -0.140 0.000 1.240 371 P CA -0.702 62.343 63.100 -0.092 0.000 0.798 371 P CB 1.284 32.928 31.700 -0.093 0.000 0.979 372 V N 2.972 122.707 119.914 -0.298 0.000 2.455 372 V HA 0.057 4.741 4.120 0.939 0.000 0.273 372 V C 0.651 176.565 176.094 -0.300 0.000 1.045 372 V CA 0.486 62.581 62.300 -0.342 0.000 0.976 372 V CB -0.080 31.322 31.823 -0.702 0.000 0.993 372 V HN 0.647 nan 8.190 nan 0.000 0.475 373 H N 3.040 122.029 119.070 -0.135 0.000 2.986 373 H HA 0.306 5.426 4.556 0.940 0.000 0.267 373 H C 0.664 175.956 175.328 -0.060 0.000 1.072 373 H CA 0.109 56.094 56.048 -0.104 0.000 1.202 373 H CB 0.503 30.189 29.762 -0.127 0.000 1.535 373 H HN 0.824 nan 8.280 nan 0.000 0.522 374 N N -2.148 116.593 118.700 0.067 0.000 3.373 374 N HA -0.112 5.191 4.740 0.939 0.000 0.275 374 N C -0.214 175.358 175.510 0.104 0.000 1.489 374 N CA -0.580 52.528 53.050 0.098 0.000 0.872 374 N CB 0.896 39.423 38.487 0.066 0.000 1.555 374 N HN -0.148 nan 8.380 nan 0.000 0.500 375 Y N 1.022 121.302 120.300 -0.032 0.000 2.114 375 Y HA -0.076 5.033 4.550 0.932 0.000 0.284 375 Y C 2.145 177.995 175.900 -0.083 0.000 1.143 375 Y CA 2.289 60.344 58.100 -0.075 0.000 1.135 375 Y CB -0.474 37.935 38.460 -0.085 0.000 0.980 375 Y HN 0.668 nan 8.280 nan 0.000 0.499 376 E N -0.339 119.790 120.200 -0.118 0.000 2.070 376 E HA -0.257 4.657 4.350 0.939 0.000 0.197 376 E C 1.776 178.279 176.600 -0.162 0.000 1.004 376 E CA 1.573 57.864 56.400 -0.182 0.000 0.805 376 E CB -0.235 29.413 29.700 -0.086 0.000 0.744 376 E HN 0.453 nan 8.360 nan 0.000 0.451 377 D N 0.303 120.640 120.400 -0.105 0.000 2.123 377 D HA -0.143 5.060 4.640 0.939 0.000 0.196 377 D C 1.863 178.072 176.300 -0.152 0.000 0.992 377 D CA 1.435 55.370 54.000 -0.109 0.000 0.833 377 D CB -0.315 40.435 40.800 -0.084 0.000 0.954 377 D HN 0.228 nan 8.370 nan 0.000 0.455 378 A N 0.575 123.311 122.820 -0.140 0.000 1.969 378 A HA -0.150 4.733 4.320 0.939 0.000 0.218 378 A C 1.902 179.581 177.584 0.158 0.000 1.169 378 A CA 1.100 53.128 52.037 -0.015 0.000 0.635 378 A CB -0.297 18.846 19.000 0.237 0.000 0.810 378 A HN 0.111 nan 8.150 nan 0.000 0.445 379 K N -0.342 119.990 120.400 -0.114 0.000 2.555 379 K HA 0.008 4.891 4.320 0.939 0.000 0.193 379 K C 0.876 177.475 176.600 -0.001 0.000 1.032 379 K CA 0.577 56.810 56.287 -0.089 0.000 1.004 379 K CB -0.005 32.278 32.500 -0.361 0.000 0.804 379 K HN 0.344 nan 8.250 nan 0.000 0.496 380 K N 0.724 121.118 120.400 -0.010 0.000 2.476 380 K HA 0.102 4.986 4.320 0.939 0.000 0.196 380 K C -0.149 176.473 176.600 0.036 0.000 1.025 380 K CA -0.133 56.152 56.287 -0.003 0.000 1.138 380 K CB 0.558 33.039 32.500 -0.031 0.000 0.860 380 K HN -0.075 nan 8.250 nan 0.000 0.515 381 S N 1.329 117.081 115.700 0.087 0.000 2.580 381 S HA 0.004 5.037 4.470 0.939 0.000 0.274 381 S C -0.115 174.551 174.600 0.109 0.000 1.329 381 S CA -0.522 57.746 58.200 0.112 0.000 1.036 381 S CB 0.881 64.152 63.200 0.118 0.000 0.919 381 S HN 0.177 nan 8.310 nan 0.000 0.515 382 D N 2.642 123.123 120.400 0.135 0.000 2.508 382 D HA 0.084 5.288 4.640 0.939 0.000 0.224 382 D C 0.700 177.092 176.300 0.153 0.000 1.171 382 D CA -0.371 53.687 54.000 0.098 0.000 1.006 382 D CB -0.061 40.757 40.800 0.029 0.000 1.073 382 D HN 0.189 nan 8.370 nan 0.000 0.513 383 L N 2.719 124.012 121.223 0.118 0.000 2.353 383 L HA -0.118 4.786 4.340 0.939 0.000 0.220 383 L C 2.153 179.119 176.870 0.160 0.000 1.133 383 L CA 1.042 55.957 54.840 0.125 0.000 0.798 383 L CB -1.128 40.965 42.059 0.058 0.000 0.922 383 L HN 0.400 nan 8.230 nan 0.000 0.445 384 Q N 0.219 120.085 119.800 0.110 0.000 2.137 384 Q HA -0.170 4.734 4.340 0.939 0.000 0.198 384 Q C 2.269 178.327 176.000 0.097 0.000 0.960 384 Q CA 1.528 57.385 55.803 0.089 0.000 0.847 384 Q CB 0.046 28.813 28.738 0.048 0.000 0.915 384 Q HN 0.373 nan 8.270 nan 0.000 0.448 385 K N -0.926 119.507 120.400 0.055 0.000 2.025 385 K HA -0.122 4.762 4.320 0.939 0.000 0.207 385 K C 1.805 178.505 176.600 0.167 0.000 1.049 385 K CA 1.278 57.531 56.287 -0.058 0.000 0.933 385 K CB -0.441 31.805 32.500 -0.424 0.000 0.714 385 K HN 0.246 nan 8.250 nan 0.000 0.438 386 F N 1.069 121.182 119.950 0.272 0.000 2.095 386 F HA -0.232 4.237 4.527 -0.098 0.000 0.298 386 F C 2.501 178.482 175.800 0.301 0.000 1.104 386 F CA 1.904 60.186 58.000 0.470 0.000 1.232 386 F CB -0.896 38.277 39.000 0.288 0.000 0.987 386 F HN 0.116 nan 8.300 nan 0.000 0.475 387 S N 0.199 116.170 115.700 0.452 0.000 2.359 387 S HA -0.249 4.785 4.470 0.939 0.000 0.223 387 S C 2.287 176.976 174.600 0.149 0.000 1.039 387 S CA 1.759 60.111 58.200 0.253 0.000 1.042 387 S CB -0.356 62.935 63.200 0.152 0.000 0.915 387 S HN 0.492 nan 8.310 nan 0.000 0.439 388 R N -0.678 119.903 120.500 0.134 0.000 2.066 388 R HA -0.042 4.861 4.340 0.939 0.000 0.232 388 R C 2.214 178.552 176.300 0.065 0.000 1.131 388 R CA 1.643 57.792 56.100 0.082 0.000 0.955 388 R CB -0.721 29.618 30.300 0.064 0.000 0.851 388 R HN 0.581 nan 8.270 nan 0.000 0.432 389 F N 1.647 121.579 119.950 -0.030 0.000 2.095 389 F HA -0.282 4.769 4.527 0.872 0.000 0.298 389 F C 2.498 178.200 175.800 -0.163 0.000 1.104 389 F CA 1.835 59.793 58.000 -0.071 0.000 1.232 389 F CB -0.627 38.412 39.000 0.065 0.000 0.987 389 F HN 0.092 nan 8.300 nan 0.000 0.475 390 H N 0.577 119.323 119.070 -0.541 0.000 2.290 390 H HA -0.210 4.945 4.556 0.998 0.000 0.298 390 H C 2.439 177.500 175.328 -0.445 0.000 1.087 390 H CA 2.194 57.846 56.048 -0.660 0.000 1.291 390 H CB -0.360 29.155 29.762 -0.411 0.000 1.369 390 H HN 0.197 nan 8.280 nan 0.000 0.492 391 R N 0.653 121.132 120.500 -0.035 0.000 2.139 391 R HA -0.083 4.821 4.340 0.939 0.000 0.243 391 R C 2.606 178.791 176.300 -0.191 0.000 1.145 391 R CA 1.587 57.671 56.100 -0.026 0.000 0.976 391 R CB -1.068 29.255 30.300 0.037 0.000 0.866 391 R HN 0.459 nan 8.270 nan 0.000 0.449 392 G N -0.072 108.574 108.800 -0.258 0.000 2.434 392 G HA2 -0.234 4.290 3.960 0.939 0.000 0.214 392 G HA3 -0.234 4.290 3.960 0.939 0.000 0.214 392 G C 1.312 175.994 174.900 -0.364 0.000 1.202 392 G CA 0.894 45.832 45.100 -0.271 0.000 0.788 392 G HN 0.190 nan 8.290 nan 0.000 0.539 393 M N -0.049 119.221 119.600 -0.550 0.000 2.106 393 M HA -0.061 4.983 4.480 0.939 0.000 0.259 393 M C 2.563 178.655 176.300 -0.347 0.000 1.068 393 M CA 0.928 55.919 55.300 -0.515 0.000 1.100 393 M CB -1.152 30.976 32.600 -0.785 0.000 1.351 393 M HN 0.236 nan 8.290 nan 0.000 0.404 394 L N 0.585 121.591 121.223 -0.361 0.000 2.081 394 L HA -0.197 4.706 4.340 0.939 0.000 0.212 394 L C 2.082 178.796 176.870 -0.260 0.000 1.080 394 L CA 1.878 56.641 54.840 -0.129 0.000 0.754 394 L CB -0.503 41.543 42.059 -0.023 0.000 0.893 394 L HN 0.351 nan 8.230 nan 0.000 0.433 395 E N -1.776 118.099 120.200 -0.542 0.000 2.285 395 E HA -0.185 4.729 4.350 0.939 0.000 0.194 395 E C 1.840 178.201 176.600 -0.397 0.000 0.997 395 E CA 0.328 56.228 56.400 -0.833 0.000 0.845 395 E CB 0.045 29.341 29.700 -0.674 0.000 0.782 395 E HN 0.366 nan 8.360 nan 0.000 0.491 396 Q N -0.409 119.237 119.800 -0.257 0.000 2.451 396 Q HA 0.056 4.960 4.340 0.939 0.000 0.206 396 Q C 0.886 176.817 176.000 -0.116 0.000 0.947 396 Q CA 0.805 56.514 55.803 -0.158 0.000 0.937 396 Q CB 0.546 29.198 28.738 -0.144 0.000 1.025 396 Q HN 0.352 nan 8.270 nan 0.000 0.511 397 G N -0.430 108.304 108.800 -0.110 0.000 2.141 397 G HA2 -0.178 4.345 3.960 0.939 0.000 0.231 397 G HA3 -0.178 4.345 3.960 0.939 0.000 0.231 397 G C -0.173 174.778 174.900 0.085 0.000 0.984 397 G CA 0.021 45.058 45.100 -0.105 0.000 0.660 397 G HN 0.207 nan 8.290 nan 0.000 0.525 398 I N 0.580 121.227 120.570 0.129 0.000 2.336 398 I HA 0.405 5.139 4.170 0.939 0.000 0.292 398 I C -0.119 176.164 176.117 0.277 0.000 0.991 398 I CA -1.621 59.799 61.300 0.201 0.000 1.227 398 I CB 1.036 39.053 38.000 0.029 0.000 1.366 398 I HN 0.112 nan 8.210 nan 0.000 0.466 399 Y N 7.107 127.565 120.300 0.264 0.000 2.367 399 Y HA 0.548 5.680 4.550 0.970 0.000 0.342 399 Y C -0.668 175.337 175.900 0.176 0.000 0.979 399 Y CA -0.219 57.983 58.100 0.169 0.000 1.161 399 Y CB 0.968 39.522 38.460 0.157 0.000 1.155 399 Y HN 0.413 nan 8.280 nan 0.000 0.503 400 L N 4.751 125.758 121.223 -0.359 0.000 2.341 400 L HA 0.706 5.609 4.340 0.939 0.000 0.267 400 L C -0.084 176.704 176.870 -0.138 0.000 1.009 400 L CA -1.576 53.151 54.840 -0.188 0.000 0.819 400 L CB 1.756 43.668 42.059 -0.245 0.000 1.323 400 L HN 0.696 nan 8.230 nan 0.000 0.425 401 A N 2.943 125.753 122.820 -0.016 0.000 2.580 401 A HA 0.148 5.032 4.320 0.939 0.000 0.244 401 A C -1.812 175.860 177.584 0.147 0.000 1.045 401 A CA -0.513 51.568 52.037 0.075 0.000 0.761 401 A CB -0.557 18.497 19.000 0.090 0.000 0.962 401 A HN 0.518 nan 8.150 nan 0.000 0.512 402 P HA 0.081 nan 4.420 nan 0.000 0.254 402 P C -0.229 176.895 177.300 -0.294 0.000 1.631 402 P CA 0.525 63.336 63.100 -0.482 0.000 0.861 402 P CB -0.111 31.101 31.700 -0.813 0.000 1.663 403 S N -0.021 115.598 115.700 -0.134 0.000 2.543 403 S HA 0.213 5.247 4.470 0.939 0.000 0.273 403 S C 0.727 174.941 174.600 -0.642 0.000 1.152 403 S CA -0.423 57.582 58.200 -0.326 0.000 0.910 403 S CB 1.764 64.885 63.200 -0.132 0.000 1.105 403 S HN -0.078 nan 8.310 nan 0.000 0.465 404 Q N 2.870 121.886 119.800 -1.306 0.000 2.291 404 Q HA 0.145 5.048 4.340 0.939 0.000 0.205 404 Q C -0.033 175.352 176.000 -1.025 0.000 0.970 404 Q CA 1.920 56.785 55.803 -1.565 0.000 0.876 404 Q CB -0.216 27.513 28.738 -1.680 0.000 0.935 404 Q HN 0.726 nan 8.270 nan 0.000 0.455 405 F N 0.945 120.753 119.950 -0.237 0.000 2.713 405 F HA 0.379 5.506 4.527 1.001 0.000 0.294 405 F C -0.161 175.597 175.800 -0.071 0.000 1.152 405 F CA -0.287 57.671 58.000 -0.070 0.000 1.385 405 F CB 0.332 39.355 39.000 0.038 0.000 0.981 405 F HN -0.120 nan 8.300 nan 0.000 0.514 406 E N 0.906 121.072 120.200 -0.057 0.000 2.224 406 E HA 0.560 5.473 4.350 0.939 0.000 0.265 406 E C -0.356 176.147 176.600 -0.163 0.000 0.878 406 E CA -0.546 55.860 56.400 0.010 0.000 0.759 406 E CB 2.196 31.995 29.700 0.165 0.000 1.164 406 E HN 0.097 nan 8.360 nan 0.000 0.414 407 A N 2.286 124.978 122.820 -0.213 0.000 2.425 407 A HA 0.574 5.458 4.320 0.939 0.000 0.242 407 A C 0.680 177.670 177.584 -0.990 0.000 1.077 407 A CA 0.375 52.089 52.037 -0.538 0.000 0.781 407 A CB 0.389 19.169 19.000 -0.366 0.000 1.020 407 A HN 0.540 nan 8.150 nan 0.000 0.494 408 G N -0.613 107.328 108.800 -1.432 0.000 2.477 408 G HA2 0.604 5.128 3.960 0.939 0.000 0.304 408 G HA3 0.604 5.128 3.960 0.939 0.000 0.304 408 G C -0.919 173.285 174.900 -1.160 0.000 1.175 408 G CA -0.456 43.814 45.100 -1.383 0.000 0.907 408 G HN 0.445 nan 8.290 nan 0.000 0.509 409 F N -1.365 118.619 119.950 0.056 0.000 2.588 409 F HA 0.604 5.698 4.527 0.944 0.000 0.314 409 F C 0.524 176.402 175.800 0.131 0.000 1.069 409 F CA -0.704 57.368 58.000 0.120 0.000 0.931 409 F CB 2.620 41.642 39.000 0.037 0.000 1.260 409 F HN 0.400 nan 8.300 nan 0.000 0.465 410 T N 0.667 115.366 114.554 0.241 0.000 2.942 410 T HA 0.717 5.631 4.350 0.939 0.000 0.289 410 T C -0.769 173.966 174.700 0.059 0.000 1.044 410 T CA -0.544 61.520 62.100 -0.059 0.000 1.023 410 T CB 1.602 70.444 68.868 -0.042 0.000 1.123 410 T HN 0.758 nan 8.240 nan 0.000 0.512 411 S N 0.748 116.545 115.700 0.162 0.000 2.661 411 S HA 0.506 5.540 4.470 0.939 0.000 0.285 411 S C 0.515 175.255 174.600 0.234 0.000 1.138 411 S CA -0.881 57.450 58.200 0.217 0.000 0.855 411 S CB 0.771 64.065 63.200 0.157 0.000 1.136 411 S HN 0.542 nan 8.310 nan 0.000 0.484 412 L N 0.835 122.134 121.223 0.127 0.000 2.610 412 L HA 0.222 5.126 4.340 0.939 0.000 0.232 412 L C 2.185 179.058 176.870 0.005 0.000 1.149 412 L CA 0.796 55.681 54.840 0.074 0.000 0.872 412 L CB -0.651 41.382 42.059 -0.042 0.000 0.992 412 L HN 0.892 nan 8.230 nan 0.000 0.447 413 A N -2.118 120.714 122.820 0.020 0.000 2.252 413 A HA 0.076 4.959 4.320 0.939 0.000 0.213 413 A C 0.315 177.831 177.584 -0.112 0.000 1.188 413 A CA -0.159 51.829 52.037 -0.083 0.000 0.863 413 A CB -0.312 18.590 19.000 -0.164 0.000 0.893 413 A HN 0.307 nan 8.150 nan 0.000 0.495 414 H N 1.620 120.675 119.070 -0.024 0.000 2.899 414 H HA 0.324 5.443 4.556 0.939 0.000 0.303 414 H C 0.818 176.208 175.328 0.103 0.000 1.042 414 H CA 1.112 57.134 56.048 -0.043 0.000 1.479 414 H CB 0.723 30.451 29.762 -0.056 0.000 1.493 414 H HN 0.355 nan 8.280 nan 0.000 0.534 415 T N 0.107 114.747 114.554 0.143 0.000 2.902 415 T HA 0.113 5.026 4.350 0.939 0.000 0.280 415 T C 1.307 176.084 174.700 0.127 0.000 0.992 415 T CA -0.969 61.235 62.100 0.174 0.000 1.015 415 T CB 1.371 70.311 68.868 0.120 0.000 1.044 415 T HN 0.495 nan 8.240 nan 0.000 0.520 416 E N 0.414 120.676 120.200 0.103 0.000 2.118 416 E HA -0.137 4.777 4.350 0.939 0.000 0.195 416 E C 2.010 178.633 176.600 0.037 0.000 0.992 416 E CA 1.581 58.003 56.400 0.036 0.000 0.804 416 E CB -0.252 29.466 29.700 0.031 0.000 0.741 416 E HN 0.843 nan 8.360 nan 0.000 0.458 417 E N -0.030 120.204 120.200 0.057 0.000 2.150 417 E HA -0.153 4.760 4.350 0.939 0.000 0.193 417 E C 1.424 178.065 176.600 0.068 0.000 0.985 417 E CA 1.067 57.498 56.400 0.052 0.000 0.814 417 E CB 0.001 29.733 29.700 0.053 0.000 0.752 417 E HN 0.258 nan 8.360 nan 0.000 0.466 418 D N 0.711 121.170 120.400 0.098 0.000 2.123 418 D HA -0.102 5.102 4.640 0.939 0.000 0.200 418 D C 1.902 178.278 176.300 0.127 0.000 0.976 418 D CA 0.680 54.758 54.000 0.132 0.000 0.831 418 D CB -0.034 40.840 40.800 0.123 0.000 0.974 418 D HN 0.111 nan 8.370 nan 0.000 0.469 419 I N 1.431 122.055 120.570 0.091 0.000 2.361 419 I HA -0.195 4.539 4.170 0.939 0.000 0.251 419 I C 1.595 177.700 176.117 -0.021 0.000 1.133 419 I CA 1.211 62.525 61.300 0.023 0.000 1.413 419 I CB -0.754 37.225 38.000 -0.036 0.000 1.073 419 I HN -0.049 nan 8.210 nan 0.000 0.424 420 D N 1.159 121.556 120.400 -0.004 0.000 2.123 420 D HA -0.038 5.166 4.640 0.939 0.000 0.200 420 D C 2.271 178.561 176.300 -0.017 0.000 0.976 420 D CA 1.462 55.451 54.000 -0.018 0.000 0.831 420 D CB 0.023 40.818 40.800 -0.008 0.000 0.974 420 D HN 0.273 nan 8.370 nan 0.000 0.469 421 A N 0.170 122.994 122.820 0.008 0.000 2.067 421 A HA -0.100 4.784 4.320 0.939 0.000 0.219 421 A C 2.250 179.829 177.584 -0.008 0.000 1.158 421 A CA 1.556 53.597 52.037 0.006 0.000 0.661 421 A CB -0.544 18.473 19.000 0.029 0.000 0.801 421 A HN 0.177 nan 8.150 nan 0.000 0.452 422 T N 0.289 114.836 114.554 -0.011 0.000 2.851 422 T HA 0.013 4.926 4.350 0.939 0.000 0.262 422 T C 1.746 176.374 174.700 -0.120 0.000 1.043 422 T CA 1.136 63.196 62.100 -0.067 0.000 1.140 422 T CB -0.302 68.488 68.868 -0.130 0.000 0.872 422 T HN 0.378 nan 8.240 nan 0.000 0.446 423 L N 0.879 122.032 121.223 -0.117 0.000 2.191 423 L HA -0.073 4.831 4.340 0.939 0.000 0.212 423 L C 2.965 179.788 176.870 -0.079 0.000 1.103 423 L CA 0.944 55.713 54.840 -0.119 0.000 0.769 423 L CB -0.654 41.339 42.059 -0.109 0.000 0.908 423 L HN 0.252 nan 8.230 nan 0.000 0.438 424 A N 0.194 122.979 122.820 -0.058 0.000 1.873 424 A HA -0.124 4.759 4.320 0.939 0.000 0.215 424 A C 2.577 180.134 177.584 -0.046 0.000 1.186 424 A CA 1.587 53.598 52.037 -0.042 0.000 0.616 424 A CB -0.689 18.293 19.000 -0.031 0.000 0.823 424 A HN 0.364 nan 8.150 nan 0.000 0.442 425 A N 0.005 122.789 122.820 -0.060 0.000 1.883 425 A HA 0.116 4.999 4.320 0.939 0.000 0.217 425 A C 2.509 180.053 177.584 -0.066 0.000 1.186 425 A CA 2.252 54.245 52.037 -0.075 0.000 0.624 425 A CB -1.152 17.789 19.000 -0.099 0.000 0.822 425 A HN 1.186 nan 8.150 nan 0.000 0.444 426 A N -0.399 122.379 122.820 -0.069 0.000 1.986 426 A HA -0.229 4.655 4.320 0.939 0.000 0.220 426 A C 2.211 179.801 177.584 0.010 0.000 1.171 426 A CA 2.123 54.146 52.037 -0.023 0.000 0.640 426 A CB -0.440 18.499 19.000 -0.102 0.000 0.811 426 A HN 0.639 nan 8.150 nan 0.000 0.451 427 R N -1.582 118.911 120.500 -0.012 0.000 2.064 427 R HA -0.031 4.872 4.340 0.939 0.000 0.221 427 R C 2.194 178.503 176.300 0.014 0.000 1.136 427 R CA 1.583 57.687 56.100 0.006 0.000 0.980 427 R CB -0.694 29.603 30.300 -0.005 0.000 0.876 427 R HN 0.347 nan 8.270 nan 0.000 0.437 428 T N 0.680 115.231 114.554 -0.005 0.000 2.699 428 T HA -0.143 4.770 4.350 0.939 0.000 0.268 428 T C 1.730 176.431 174.700 0.001 0.000 1.036 428 T CA 1.665 63.761 62.100 -0.006 0.000 1.147 428 T CB -0.164 68.689 68.868 -0.025 0.000 0.862 428 T HN 0.042 nan 8.240 nan 0.000 0.446 429 V N 1.280 121.192 119.914 -0.003 0.000 2.255 429 V HA -0.092 4.592 4.120 0.939 0.000 0.243 429 V C 2.473 178.608 176.094 0.067 0.000 1.038 429 V CA 1.529 63.834 62.300 0.009 0.000 1.008 429 V CB -0.500 31.297 31.823 -0.043 0.000 0.645 429 V HN 0.485 nan 8.190 nan 0.000 0.449 430 M N -0.074 119.583 119.600 0.096 0.000 2.435 430 M HA -0.110 4.934 4.480 0.939 0.000 0.262 430 M C 1.132 177.501 176.300 0.116 0.000 1.065 430 M CA 1.082 56.411 55.300 0.047 0.000 1.076 430 M CB -0.425 32.184 32.600 0.014 0.000 1.403 430 M HN 0.230 nan 8.290 nan 0.000 0.454 431 S N 0.914 116.675 115.700 0.101 0.000 3.697 431 S HA 0.484 5.518 4.470 0.939 0.000 0.207 431 S C 0.157 174.807 174.600 0.082 0.000 1.459 431 S CA -0.245 58.017 58.200 0.104 0.000 1.122 431 S CB -0.421 62.816 63.200 0.061 0.000 1.311 431 S HN 0.461 nan 8.310 nan 0.000 0.487 432 A N 0.544 123.428 122.820 0.107 0.000 4.928 432 A HA 0.793 5.676 4.320 0.939 0.000 0.242 432 A C -1.040 176.612 177.584 0.112 0.000 0.976 432 A CA -0.847 51.235 52.037 0.076 0.000 0.612 432 A CB -0.006 19.021 19.000 0.044 0.000 1.867 432 A HN 0.435 nan 8.150 nan 0.000 0.907 433 L N 0.000 121.267 121.223 0.074 0.000 2.949 433 L HA 0.000 4.904 4.340 0.939 0.000 0.249 433 L CA 0.000 54.882 54.840 0.069 0.000 0.813 433 L CB 0.000 42.081 42.059 0.037 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502