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 3qbp_1_B DATA FIRST_RESID 26 DATA SEQUENCE RVPAKALWRA QTQRAVENFP ISGRGLERAQ IRALGLLKGA CAQVNMDLGL DATA SEQUENCE LAPEKAEAII AAAAEIADGQ HDDQFPIDVF QTGSGTSSNM NTNEVIASIA DATA SEQUENCE GANGVAVHPN DDVNMSQSSN DTFPTATHIA ATEAAVSHLI PALEILQDAL DATA SEQUENCE ATKALEWQSV VKSGRTHLMD AVPVTLGQEF SGYARQIEAG IERVRATLPR DATA SEQUENCE LGELAIGGTA VGTGLNAPEG FGVKVVSVLV SQTGLPQLRT AANSFEAQAA DATA SEQUENCE RDGLVEASGA LRTIAVSLTK IANDIRWMGS GPLTGLAEIQ LPDLQPGSSI DATA SEQUENCE MPGKVNPVLP EAVTQVAAQV IGNDAAVAWG GANGAFELNV YIPMMARNIL DATA SEQUENCE ESFTLLTNVS KLFAQRCIAG LTANAEHLRE LAESSPSIVT PLNSAIGYEE DATA SEQUENCE AAAVAKQALK ERKTIRQTVI DRGLIGDKLS LEELDRRLDV LAMAKVE 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 26 R HA 0.000 nan 4.340 nan 0.000 0.208 26 R C 0.000 176.316 176.300 0.027 0.000 0.893 26 R CA 0.000 56.106 56.100 0.010 0.000 0.921 26 R CB 0.000 30.306 30.300 0.009 0.000 0.687 27 V N 3.509 123.417 119.914 -0.010 0.000 2.656 27 V HA 0.739 4.863 4.120 0.006 0.000 0.307 27 V C -1.971 174.055 176.094 -0.113 0.000 1.051 27 V CA -1.972 60.301 62.300 -0.044 0.000 0.893 27 V CB 1.966 33.709 31.823 -0.134 0.000 0.999 27 V HN 0.923 nan 8.190 nan 0.000 0.426 28 P HA 0.174 nan 4.420 nan 0.000 0.266 28 P C 0.669 177.828 177.300 -0.235 0.000 1.193 28 P CA 0.076 63.084 63.100 -0.153 0.000 0.770 28 P CB 0.701 32.322 31.700 -0.130 0.000 0.836 29 A N 2.527 125.255 122.820 -0.154 0.000 1.929 29 A HA -0.016 4.307 4.320 0.006 0.000 0.216 29 A C 2.055 179.540 177.584 -0.165 0.000 1.176 29 A CA 1.894 53.846 52.037 -0.142 0.000 0.628 29 A CB -1.359 17.590 19.000 -0.086 0.000 0.816 29 A HN 0.523 nan 8.150 nan 0.000 0.444 30 K N -0.256 120.050 120.400 -0.156 0.000 2.555 30 K HA 0.571 4.895 4.320 0.006 0.000 0.193 30 K C 0.775 177.229 176.600 -0.244 0.000 1.032 30 K CA 0.890 57.091 56.287 -0.143 0.000 1.004 30 K CB -1.303 31.152 32.500 -0.075 0.000 0.804 30 K HN 0.919 nan 8.250 nan 0.000 0.496 31 A N 0.503 123.053 122.820 -0.450 0.000 2.362 31 A HA 0.579 4.903 4.320 0.006 0.000 0.276 31 A C 1.021 178.248 177.584 -0.594 0.000 1.153 31 A CA -0.487 51.043 52.037 -0.846 0.000 0.813 31 A CB 0.202 18.170 19.000 -1.719 0.000 1.081 31 A HN 0.363 nan 8.150 nan 0.000 0.507 32 L N 1.156 122.141 121.223 -0.397 0.000 2.529 32 L HA 0.098 4.441 4.340 0.006 0.000 0.223 32 L C 0.976 177.756 176.870 -0.150 0.000 1.113 32 L CA -0.297 54.408 54.840 -0.225 0.000 0.861 32 L CB -0.348 41.615 42.059 -0.160 0.000 1.012 32 L HN 0.946 nan 8.230 nan 0.000 0.461 33 W N 0.894 122.101 121.300 -0.155 0.000 2.086 33 W HA 0.529 5.192 4.660 0.006 0.000 0.355 33 W C 0.471 176.929 176.519 -0.103 0.000 1.313 33 W CA -0.971 56.282 57.345 -0.155 0.000 1.358 33 W CB 0.291 29.647 29.460 -0.173 0.000 1.166 33 W HN -0.228 nan 8.180 nan 0.000 0.630 34 R N 0.247 120.877 120.500 0.216 0.000 3.415 34 R HA 0.632 4.976 4.340 0.006 0.000 0.229 34 R C 1.540 177.940 176.300 0.167 0.000 1.651 34 R CA -0.418 55.739 56.100 0.095 0.000 0.998 34 R CB -0.094 30.212 30.300 0.009 0.000 1.805 34 R HN 0.562 nan 8.270 nan 0.000 0.534 35 A N 0.697 123.562 122.820 0.075 0.000 1.902 35 A HA -0.190 4.133 4.320 0.006 0.000 0.217 35 A C 2.012 179.633 177.584 0.062 0.000 1.181 35 A CA 1.563 53.640 52.037 0.065 0.000 0.623 35 A CB -0.633 18.383 19.000 0.027 0.000 0.818 35 A HN 0.602 nan 8.150 nan 0.000 0.443 36 Q N -0.936 118.892 119.800 0.046 0.000 2.084 36 Q HA -0.126 4.217 4.340 0.006 0.000 0.202 36 Q C 2.218 178.232 176.000 0.024 0.000 0.978 36 Q CA 2.000 57.821 55.803 0.030 0.000 0.844 36 Q CB -0.370 28.383 28.738 0.025 0.000 0.898 36 Q HN 0.686 nan 8.270 nan 0.000 0.426 37 T N 0.500 115.072 114.554 0.031 0.000 2.708 37 T HA -0.214 4.139 4.350 0.006 0.000 0.266 37 T C 1.740 176.382 174.700 -0.096 0.000 1.037 37 T CA 1.490 63.548 62.100 -0.070 0.000 1.146 37 T CB -0.243 68.534 68.868 -0.150 0.000 0.865 37 T HN 0.174 nan 8.240 nan 0.000 0.435 38 Q N 1.269 121.112 119.800 0.072 0.000 2.135 38 Q HA -0.118 4.226 4.340 0.006 0.000 0.204 38 Q C 2.511 178.521 176.000 0.016 0.000 0.981 38 Q CA 2.349 58.216 55.803 0.106 0.000 0.856 38 Q CB -0.524 28.354 28.738 0.233 0.000 0.902 38 Q HN 0.558 nan 8.270 nan 0.000 0.425 39 R N 0.079 120.579 120.500 0.001 0.000 2.081 39 R HA 0.078 4.421 4.340 0.006 0.000 0.235 39 R C 2.332 178.570 176.300 -0.103 0.000 1.131 39 R CA 1.812 57.884 56.100 -0.046 0.000 0.960 39 R CB -1.753 28.525 30.300 -0.037 0.000 0.856 39 R HN 0.513 nan 8.270 nan 0.000 0.436 40 A N 0.429 123.213 122.820 -0.060 0.000 1.933 40 A HA 0.036 4.360 4.320 0.006 0.000 0.218 40 A C 2.572 180.145 177.584 -0.018 0.000 1.175 40 A CA 1.558 53.586 52.037 -0.015 0.000 0.628 40 A CB -0.440 18.646 19.000 0.143 0.000 0.814 40 A HN 0.343 nan 8.150 nan 0.000 0.444 41 V N 0.144 120.021 119.914 -0.063 0.000 2.332 41 V HA -0.290 3.833 4.120 0.006 0.000 0.248 41 V C 2.355 178.415 176.094 -0.056 0.000 1.055 41 V CA 2.391 64.653 62.300 -0.063 0.000 1.038 41 V CB -0.805 30.956 31.823 -0.104 0.000 0.651 41 V HN 0.662 nan 8.190 nan 0.000 0.450 42 E N -0.196 119.953 120.200 -0.086 0.000 2.152 42 E HA -0.130 4.223 4.350 0.006 0.000 0.192 42 E C 1.995 178.484 176.600 -0.185 0.000 0.983 42 E CA 0.768 57.109 56.400 -0.099 0.000 0.818 42 E CB -0.135 29.519 29.700 -0.077 0.000 0.758 42 E HN 0.532 nan 8.360 nan 0.000 0.467 43 N N -0.116 118.369 118.700 -0.359 0.000 2.354 43 N HA -0.040 4.704 4.740 0.006 0.000 0.179 43 N C -0.036 175.051 175.510 -0.704 0.000 1.021 43 N CA 0.821 53.460 53.050 -0.684 0.000 0.887 43 N CB 0.299 38.050 38.487 -1.227 0.000 0.974 43 N HN 0.072 nan 8.380 nan 0.000 0.437 44 F N 0.491 120.433 119.950 -0.012 0.000 2.679 44 F HA 0.340 4.869 4.527 0.004 0.000 0.354 44 F C -2.174 173.633 175.800 0.011 0.000 1.423 44 F CA -2.131 55.872 58.000 0.005 0.000 1.141 44 F CB 0.923 39.930 39.000 0.012 0.000 1.168 44 F HN -0.176 nan 8.300 nan 0.000 0.530 45 P HA 0.235 nan 4.420 nan 0.000 0.244 45 P C 0.585 177.931 177.300 0.077 0.000 1.769 45 P CA 0.558 63.705 63.100 0.078 0.000 1.102 45 P CB 0.458 32.175 31.700 0.029 0.000 1.937 46 I N 1.126 121.762 120.570 0.111 0.000 3.366 46 I HA -0.053 4.120 4.170 0.006 0.000 0.267 46 I C 2.063 178.196 176.117 0.027 0.000 1.149 46 I CA 0.866 62.203 61.300 0.061 0.000 1.436 46 I CB -0.023 38.027 38.000 0.084 0.000 1.379 46 I HN 0.170 nan 8.210 nan 0.000 0.460 47 S N -0.212 115.552 115.700 0.107 0.000 2.539 47 S HA 0.281 4.755 4.470 0.006 0.000 0.226 47 S C 1.677 176.330 174.600 0.088 0.000 1.054 47 S CA 0.557 58.820 58.200 0.105 0.000 0.910 47 S CB 0.940 64.298 63.200 0.264 0.000 0.818 47 S HN 0.540 nan 8.310 nan 0.000 0.490 48 G N 0.752 109.606 108.800 0.090 0.000 2.162 48 G HA2 -0.074 3.889 3.960 0.006 0.000 0.260 48 G HA3 -0.074 3.889 3.960 0.006 0.000 0.260 48 G C 0.173 175.111 174.900 0.062 0.000 0.976 48 G CA 0.333 45.471 45.100 0.064 0.000 0.655 48 G HN 1.115 nan 8.290 nan 0.000 0.533 49 R N -0.208 120.340 120.500 0.080 0.000 2.494 49 R HA 0.895 5.239 4.340 0.006 0.000 0.305 49 R C 0.607 176.935 176.300 0.047 0.000 0.959 49 R CA 0.737 56.875 56.100 0.062 0.000 0.864 49 R CB 1.341 31.683 30.300 0.070 0.000 1.159 49 R HN 1.577 nan 8.270 nan 0.000 0.446 50 G N 0.393 109.212 108.800 0.033 0.000 2.671 50 G HA2 0.567 4.531 3.960 0.006 0.000 0.275 50 G HA3 0.567 4.531 3.960 0.006 0.000 0.275 50 G C -0.069 174.841 174.900 0.016 0.000 1.368 50 G CA -0.964 44.151 45.100 0.025 0.000 1.044 50 G HN 0.616 nan 8.290 nan 0.000 0.543 51 L N 0.754 121.994 121.223 0.028 0.000 2.483 51 L HA 0.137 4.480 4.340 0.006 0.000 0.276 51 L C 0.541 177.395 176.870 -0.026 0.000 1.213 51 L CA -0.365 54.475 54.840 0.002 0.000 0.843 51 L CB 0.260 42.318 42.059 -0.002 0.000 1.107 51 L HN 0.380 nan 8.230 nan 0.000 0.487 52 E N 1.721 121.893 120.200 -0.046 0.000 2.374 52 E HA 0.027 4.381 4.350 0.006 0.000 0.260 52 E C 0.880 177.426 176.600 -0.091 0.000 1.101 52 E CA -0.410 55.956 56.400 -0.056 0.000 0.907 52 E CB 0.577 30.243 29.700 -0.056 0.000 1.014 52 E HN 0.362 nan 8.360 nan 0.000 0.427 53 R N 2.032 122.485 120.500 -0.079 0.000 2.134 53 R HA -0.230 4.114 4.340 0.006 0.000 0.248 53 R C 1.663 177.891 176.300 -0.121 0.000 1.143 53 R CA 2.321 58.365 56.100 -0.092 0.000 0.957 53 R CB -0.971 29.289 30.300 -0.067 0.000 0.867 53 R HN 0.566 nan 8.270 nan 0.000 0.441 54 A N 0.452 123.198 122.820 -0.122 0.000 1.969 54 A HA -0.141 4.182 4.320 0.006 0.000 0.218 54 A C 2.181 179.675 177.584 -0.150 0.000 1.169 54 A CA 1.345 53.301 52.037 -0.134 0.000 0.635 54 A CB -0.291 18.619 19.000 -0.151 0.000 0.810 54 A HN 0.567 nan 8.150 nan 0.000 0.445 55 Q N -0.545 119.160 119.800 -0.159 0.000 2.123 55 Q HA -0.010 4.333 4.340 0.006 0.000 0.199 55 Q C 1.932 177.795 176.000 -0.228 0.000 0.966 55 Q CA 1.293 56.984 55.803 -0.187 0.000 0.845 55 Q CB -0.259 28.386 28.738 -0.155 0.000 0.907 55 Q HN 0.723 nan 8.270 nan 0.000 0.439 56 I N 0.647 121.045 120.570 -0.287 0.000 2.252 56 I HA -0.279 3.895 4.170 0.006 0.000 0.245 56 I C 2.671 178.611 176.117 -0.296 0.000 1.102 56 I CA 1.100 62.112 61.300 -0.479 0.000 1.385 56 I CB -0.262 37.349 38.000 -0.647 0.000 1.064 56 I HN 0.154 nan 8.210 nan 0.000 0.414 57 R N 1.613 121.999 120.500 -0.190 0.000 2.073 57 R HA -0.188 4.156 4.340 0.006 0.000 0.234 57 R C 2.366 178.608 176.300 -0.098 0.000 1.134 57 R CA 1.734 57.766 56.100 -0.113 0.000 0.952 57 R CB -0.353 29.896 30.300 -0.084 0.000 0.850 57 R HN 0.314 nan 8.270 nan 0.000 0.433 58 A N 1.274 124.023 122.820 -0.119 0.000 1.908 58 A HA -0.137 4.187 4.320 0.006 0.000 0.218 58 A C 2.244 179.774 177.584 -0.091 0.000 1.181 58 A CA 1.402 53.375 52.037 -0.107 0.000 0.627 58 A CB -0.564 18.353 19.000 -0.138 0.000 0.818 58 A HN 0.385 nan 8.150 nan 0.000 0.445 59 L N -0.759 120.400 121.223 -0.107 0.000 2.017 59 L HA -0.137 4.207 4.340 0.006 0.000 0.208 59 L C 2.883 179.756 176.870 0.005 0.000 1.073 59 L CA 1.191 56.006 54.840 -0.042 0.000 0.745 59 L CB -0.847 41.197 42.059 -0.024 0.000 0.894 59 L HN 0.488 nan 8.230 nan 0.000 0.432 60 G N 0.071 108.866 108.800 -0.009 0.000 2.459 60 G HA2 -0.255 3.708 3.960 0.006 0.000 0.217 60 G HA3 -0.255 3.708 3.960 0.006 0.000 0.217 60 G C 1.609 176.522 174.900 0.021 0.000 1.183 60 G CA 0.838 45.958 45.100 0.033 0.000 0.776 60 G HN 0.235 nan 8.290 nan 0.000 0.552 61 L N -0.382 120.838 121.223 -0.006 0.000 2.012 61 L HA -0.105 4.239 4.340 0.006 0.000 0.210 61 L C 2.737 179.603 176.870 -0.007 0.000 1.073 61 L CA 0.873 55.706 54.840 -0.010 0.000 0.748 61 L CB -0.474 41.568 42.059 -0.028 0.000 0.891 61 L HN 0.256 nan 8.230 nan 0.000 0.431 62 L N -0.295 120.923 121.223 -0.008 0.000 2.017 62 L HA -0.177 4.166 4.340 0.006 0.000 0.208 62 L C 2.543 179.430 176.870 0.028 0.000 1.073 62 L CA 1.814 56.654 54.840 -0.001 0.000 0.745 62 L CB -0.588 41.471 42.059 0.000 0.000 0.894 62 L HN 0.058 nan 8.230 nan 0.000 0.432 63 K N -0.071 120.358 120.400 0.048 0.000 2.097 63 K HA -0.002 4.321 4.320 0.006 0.000 0.205 63 K C 2.049 178.685 176.600 0.061 0.000 1.050 63 K CA 1.165 57.495 56.287 0.071 0.000 0.938 63 K CB -1.043 31.509 32.500 0.086 0.000 0.718 63 K HN 0.530 nan 8.250 nan 0.000 0.442 64 G N 1.215 110.041 108.800 0.043 0.000 2.421 64 G HA2 -0.226 3.737 3.960 0.006 0.000 0.216 64 G HA3 -0.226 3.737 3.960 0.006 0.000 0.216 64 G C 1.719 176.632 174.900 0.022 0.000 1.171 64 G CA 1.146 46.267 45.100 0.035 0.000 0.775 64 G HN 0.372 nan 8.290 nan 0.000 0.543 65 A N -0.078 122.744 122.820 0.003 0.000 1.898 65 A HA -0.053 4.271 4.320 0.006 0.000 0.216 65 A C 2.575 180.139 177.584 -0.034 0.000 1.181 65 A CA 1.755 53.774 52.037 -0.029 0.000 0.620 65 A CB -0.973 17.992 19.000 -0.060 0.000 0.819 65 A HN 0.418 nan 8.150 nan 0.000 0.442 66 C N -1.023 118.284 119.300 0.012 0.000 2.429 66 C HA 0.042 4.506 4.460 0.006 0.000 0.277 66 C C 3.317 178.407 174.990 0.166 0.000 1.262 66 C CA 0.822 59.909 59.018 0.115 0.000 1.733 66 C CB -1.317 26.570 27.740 0.244 0.000 2.010 66 C HN 0.703 nan 8.230 nan 0.000 0.483 67 A N -0.071 122.815 122.820 0.110 0.000 1.933 67 A HA -0.237 4.086 4.320 0.006 0.000 0.218 67 A C 2.059 179.689 177.584 0.076 0.000 1.175 67 A CA 2.077 54.171 52.037 0.095 0.000 0.628 67 A CB -0.675 18.368 19.000 0.071 0.000 0.814 67 A HN 0.611 nan 8.150 nan 0.000 0.444 68 Q N 0.021 119.850 119.800 0.048 0.000 2.061 68 Q HA -0.127 4.216 4.340 0.006 0.000 0.204 68 Q C 1.849 177.871 176.000 0.037 0.000 0.984 68 Q CA 2.404 58.225 55.803 0.030 0.000 0.846 68 Q CB -0.579 28.162 28.738 0.005 0.000 0.902 68 Q HN 0.336 nan 8.270 nan 0.000 0.421 69 V N 1.239 121.173 119.914 0.034 0.000 2.307 69 V HA -0.239 3.884 4.120 0.006 0.000 0.245 69 V C 2.004 178.192 176.094 0.156 0.000 1.045 69 V CA 1.913 64.244 62.300 0.053 0.000 1.024 69 V CB -0.793 30.981 31.823 -0.081 0.000 0.651 69 V HN 0.442 nan 8.190 nan 0.000 0.449 70 N N -0.166 118.671 118.700 0.228 0.000 2.149 70 N HA -0.206 4.537 4.740 0.006 0.000 0.188 70 N C 1.774 177.341 175.510 0.095 0.000 1.019 70 N CA 1.941 55.096 53.050 0.174 0.000 0.857 70 N CB -0.366 38.209 38.487 0.147 0.000 0.997 70 N HN 0.511 nan 8.380 nan 0.000 0.426 71 M N 0.844 120.490 119.600 0.077 0.000 2.099 71 M HA -0.141 4.343 4.480 0.006 0.000 0.262 71 M C 0.873 177.200 176.300 0.044 0.000 1.067 71 M CA 1.606 56.937 55.300 0.051 0.000 1.124 71 M CB -0.001 32.623 32.600 0.042 0.000 1.353 71 M HN -0.125 nan 8.290 nan 0.000 0.410 72 D N 0.790 121.217 120.400 0.046 0.000 2.158 72 D HA -0.157 4.487 4.640 0.006 0.000 0.197 72 D C 1.832 178.156 176.300 0.040 0.000 0.995 72 D CA 1.396 55.417 54.000 0.036 0.000 0.846 72 D CB -0.338 40.480 40.800 0.030 0.000 0.941 72 D HN 0.430 nan 8.370 nan 0.000 0.456 73 L N -0.833 120.424 121.223 0.057 0.000 2.591 73 L HA 0.177 4.520 4.340 0.006 0.000 0.228 73 L C 1.436 178.329 176.870 0.039 0.000 1.133 73 L CA 0.339 55.212 54.840 0.055 0.000 0.880 73 L CB 0.028 42.137 42.059 0.083 0.000 1.033 73 L HN 0.116 nan 8.230 nan 0.000 0.450 74 G N 0.072 108.893 108.800 0.035 0.000 2.143 74 G HA2 -0.282 3.682 3.960 0.006 0.000 0.249 74 G HA3 -0.282 3.682 3.960 0.006 0.000 0.249 74 G C 0.718 175.630 174.900 0.020 0.000 0.981 74 G CA 0.345 45.459 45.100 0.024 0.000 0.665 74 G HN 0.337 nan 8.290 nan 0.000 0.528 75 L N -1.439 119.799 121.223 0.026 0.000 2.416 75 L HA 0.465 4.808 4.340 0.006 0.000 0.216 75 L C 0.906 177.784 176.870 0.014 0.000 1.098 75 L CA 0.288 55.136 54.840 0.013 0.000 0.840 75 L CB 0.249 42.312 42.059 0.007 0.000 0.981 75 L HN 0.267 nan 8.230 nan 0.000 0.462 76 L N 0.446 121.685 121.223 0.026 0.000 2.376 76 L HA 0.622 4.966 4.340 0.006 0.000 0.275 76 L C 0.070 176.956 176.870 0.027 0.000 0.987 76 L CA -0.679 54.178 54.840 0.028 0.000 0.828 76 L CB 1.335 43.419 42.059 0.041 0.000 1.249 76 L HN -0.073 nan 8.230 nan 0.000 0.409 77 A N 6.603 129.436 122.820 0.021 0.000 2.540 77 A HA 0.382 4.705 4.320 0.006 0.000 0.239 77 A C -1.668 175.930 177.584 0.022 0.000 1.061 77 A CA -0.513 51.536 52.037 0.019 0.000 0.758 77 A CB -0.396 18.613 19.000 0.016 0.000 0.991 77 A HN 0.796 nan 8.150 nan 0.000 0.502 78 P HA -0.236 nan 4.420 nan 0.000 0.216 78 P C 1.401 178.714 177.300 0.021 0.000 1.154 78 P CA 1.814 64.926 63.100 0.021 0.000 0.865 78 P CB 0.172 31.883 31.700 0.017 0.000 0.789 79 E N 0.230 120.441 120.200 0.019 0.000 2.085 79 E HA -0.244 4.109 4.350 0.006 0.000 0.194 79 E C 1.787 178.400 176.600 0.022 0.000 0.994 79 E CA 1.522 57.933 56.400 0.018 0.000 0.801 79 E CB -0.253 29.456 29.700 0.016 0.000 0.743 79 E HN 0.130 nan 8.360 nan 0.000 0.453 80 K N 0.075 120.489 120.400 0.024 0.000 2.025 80 K HA -0.082 4.241 4.320 0.006 0.000 0.207 80 K C 2.268 178.887 176.600 0.033 0.000 1.049 80 K CA 1.087 57.391 56.287 0.029 0.000 0.933 80 K CB -0.202 32.317 32.500 0.032 0.000 0.714 80 K HN 0.191 nan 8.250 nan 0.000 0.438 81 A N 1.807 124.648 122.820 0.034 0.000 1.883 81 A HA -0.200 4.123 4.320 0.006 0.000 0.217 81 A C 1.969 179.573 177.584 0.035 0.000 1.186 81 A CA 1.556 53.616 52.037 0.039 0.000 0.624 81 A CB -0.330 18.694 19.000 0.039 0.000 0.822 81 A HN 0.187 nan 8.150 nan 0.000 0.444 82 E N -0.131 120.086 120.200 0.029 0.000 2.106 82 E HA -0.099 4.254 4.350 0.006 0.000 0.192 82 E C 2.321 178.937 176.600 0.028 0.000 0.984 82 E CA 1.160 57.576 56.400 0.026 0.000 0.806 82 E CB -0.564 29.149 29.700 0.022 0.000 0.750 82 E HN 0.587 nan 8.360 nan 0.000 0.458 83 A N 1.104 123.940 122.820 0.027 0.000 1.930 83 A HA -0.123 4.201 4.320 0.006 0.000 0.217 83 A C 2.313 179.915 177.584 0.031 0.000 1.175 83 A CA 0.944 52.996 52.037 0.026 0.000 0.627 83 A CB -0.558 18.455 19.000 0.022 0.000 0.815 83 A HN 0.151 nan 8.150 nan 0.000 0.443 84 I N -0.397 120.194 120.570 0.035 0.000 2.202 84 I HA -0.242 3.931 4.170 0.006 0.000 0.242 84 I C 2.276 178.420 176.117 0.045 0.000 1.091 84 I CA 1.252 62.577 61.300 0.041 0.000 1.368 84 I CB -0.298 37.731 38.000 0.048 0.000 1.058 84 I HN 0.290 nan 8.210 nan 0.000 0.410 85 I N 0.762 121.356 120.570 0.041 0.000 2.208 85 I HA -0.331 3.843 4.170 0.006 0.000 0.245 85 I C 2.755 178.897 176.117 0.041 0.000 1.097 85 I CA 1.523 62.846 61.300 0.039 0.000 1.363 85 I CB -0.479 37.540 38.000 0.032 0.000 1.051 85 I HN 0.207 nan 8.210 nan 0.000 0.413 86 A N 0.547 123.390 122.820 0.039 0.000 1.898 86 A HA -0.115 4.208 4.320 0.006 0.000 0.216 86 A C 2.542 180.162 177.584 0.059 0.000 1.181 86 A CA 1.726 53.790 52.037 0.044 0.000 0.620 86 A CB -0.840 18.183 19.000 0.038 0.000 0.819 86 A HN 0.423 nan 8.150 nan 0.000 0.442 87 A N -0.025 122.828 122.820 0.054 0.000 1.877 87 A HA 0.150 4.473 4.320 0.006 0.000 0.216 87 A C 2.521 180.155 177.584 0.084 0.000 1.186 87 A CA 2.155 54.227 52.037 0.059 0.000 0.620 87 A CB -1.093 17.924 19.000 0.028 0.000 0.822 87 A HN 1.082 nan 8.150 nan 0.000 0.443 88 A N -0.126 122.739 122.820 0.074 0.000 1.940 88 A HA 0.119 4.442 4.320 0.006 0.000 0.219 88 A C 2.497 180.129 177.584 0.081 0.000 1.176 88 A CA 2.188 54.274 52.037 0.082 0.000 0.631 88 A CB -1.023 18.016 19.000 0.065 0.000 0.814 88 A HN 1.104 nan 8.150 nan 0.000 0.446 89 A N -0.103 122.757 122.820 0.068 0.000 1.908 89 A HA -0.206 4.118 4.320 0.006 0.000 0.218 89 A C 1.903 179.536 177.584 0.080 0.000 1.181 89 A CA 1.709 53.782 52.037 0.059 0.000 0.627 89 A CB -0.573 18.454 19.000 0.045 0.000 0.818 89 A HN 0.662 nan 8.150 nan 0.000 0.445 90 E N -0.277 119.997 120.200 0.123 0.000 2.058 90 E HA -0.200 4.154 4.350 0.006 0.000 0.194 90 E C 1.919 178.655 176.600 0.226 0.000 0.997 90 E CA 1.431 57.938 56.400 0.177 0.000 0.801 90 E CB -0.387 29.502 29.700 0.315 0.000 0.746 90 E HN 0.715 nan 8.360 nan 0.000 0.450 91 I N 1.307 122.046 120.570 0.281 0.000 2.163 91 I HA -0.299 3.874 4.170 0.006 0.000 0.243 91 I C 2.591 178.765 176.117 0.095 0.000 1.085 91 I CA 1.161 62.606 61.300 0.242 0.000 1.347 91 I CB -0.370 37.771 38.000 0.235 0.000 1.044 91 I HN 0.085 nan 8.210 nan 0.000 0.408 92 A N -0.097 122.760 122.820 0.062 0.000 1.972 92 A HA -0.280 4.043 4.320 0.006 0.000 0.219 92 A C 1.901 179.490 177.584 0.008 0.000 1.169 92 A CA 2.204 54.249 52.037 0.015 0.000 0.635 92 A CB -0.592 18.416 19.000 0.012 0.000 0.810 92 A HN 0.460 nan 8.150 nan 0.000 0.446 93 D N -1.770 118.644 120.400 0.023 0.000 2.340 93 D HA 0.260 4.904 4.640 0.006 0.000 0.220 93 D C 1.137 177.435 176.300 -0.004 0.000 1.039 93 D CA 1.039 55.044 54.000 0.008 0.000 0.866 93 D CB -0.201 40.605 40.800 0.011 0.000 0.913 93 D HN 0.539 nan 8.370 nan 0.000 0.523 94 G N 0.775 109.576 108.800 0.002 0.000 2.147 94 G HA2 -0.341 3.622 3.960 0.006 0.000 0.244 94 G HA3 -0.341 3.622 3.960 0.006 0.000 0.244 94 G C 0.872 175.755 174.900 -0.029 0.000 1.005 94 G CA 0.416 45.511 45.100 -0.007 0.000 0.713 94 G HN 0.462 nan 8.290 nan 0.000 0.515 95 Q N -0.836 118.916 119.800 -0.079 0.000 2.432 95 Q HA 0.090 4.434 4.340 0.006 0.000 0.205 95 Q C 0.947 176.682 176.000 -0.442 0.000 0.945 95 Q CA 0.698 56.331 55.803 -0.282 0.000 0.924 95 Q CB 0.247 28.738 28.738 -0.412 0.000 1.016 95 Q HN 0.754 nan 8.270 nan 0.000 0.503 96 H N -0.726 118.423 119.070 0.133 0.000 2.777 96 H HA 0.116 4.675 4.556 0.006 0.000 0.244 96 H C -0.062 175.451 175.328 0.308 0.000 1.185 96 H CA -0.200 55.974 56.048 0.209 0.000 0.945 96 H CB 0.736 30.648 29.762 0.251 0.000 1.994 96 H HN 0.166 nan 8.280 nan 0.000 0.638 97 D N 0.862 121.418 120.400 0.259 0.000 2.309 97 D HA -0.123 4.521 4.640 0.006 0.000 0.212 97 D C 1.464 177.942 176.300 0.296 0.000 0.968 97 D CA 1.002 55.141 54.000 0.232 0.000 0.882 97 D CB 0.058 40.913 40.800 0.091 0.000 0.918 97 D HN 0.563 nan 8.370 nan 0.000 0.503 98 D N -0.319 120.245 120.400 0.274 0.000 2.349 98 D HA -0.086 4.558 4.640 0.006 0.000 0.224 98 D C 1.022 177.534 176.300 0.353 0.000 1.029 98 D CA 0.273 54.428 54.000 0.260 0.000 0.879 98 D CB -0.127 40.789 40.800 0.194 0.000 0.906 98 D HN 0.064 nan 8.370 nan 0.000 0.528 99 Q N -0.333 119.711 119.800 0.407 0.000 2.220 99 Q HA 0.180 4.524 4.340 0.006 0.000 0.205 99 Q C -0.549 175.372 176.000 -0.132 0.000 0.865 99 Q CA -0.147 55.838 55.803 0.303 0.000 0.960 99 Q CB 0.120 28.936 28.738 0.130 0.000 1.097 99 Q HN 0.331 nan 8.270 nan 0.000 0.493 100 F N 1.850 121.846 119.950 0.077 0.000 2.531 100 F HA 0.291 4.821 4.527 0.005 0.000 0.333 100 F C -1.502 174.204 175.800 -0.157 0.000 1.292 100 F CA -1.560 56.411 58.000 -0.049 0.000 1.184 100 F CB 1.506 40.516 39.000 0.017 0.000 1.426 100 F HN -0.072 nan 8.300 nan 0.000 0.559 101 P HA 0.063 nan 4.420 nan 0.000 0.245 101 P C 0.384 177.568 177.300 -0.193 0.000 1.206 101 P CA 0.628 63.535 63.100 -0.321 0.000 0.781 101 P CB 0.612 31.871 31.700 -0.735 0.000 0.994 102 I N 1.335 121.813 120.570 -0.154 0.000 2.588 102 I HA 0.049 4.223 4.170 0.006 0.000 0.283 102 I C 1.089 177.198 176.117 -0.012 0.000 1.119 102 I CA -0.115 61.146 61.300 -0.064 0.000 1.419 102 I CB 0.077 38.051 38.000 -0.043 0.000 1.394 102 I HN -0.112 nan 8.210 nan 0.000 0.562 103 D N 4.483 124.902 120.400 0.033 0.000 2.449 103 D HA -0.025 4.619 4.640 0.006 0.000 0.236 103 D C 1.165 177.423 176.300 -0.069 0.000 1.149 103 D CA 0.045 54.069 54.000 0.040 0.000 0.878 103 D CB 1.507 42.392 40.800 0.142 0.000 1.198 103 D HN 0.269 nan 8.370 nan 0.000 0.446 104 V N 3.850 123.706 119.914 -0.097 0.000 2.324 104 V HA -0.265 3.859 4.120 0.006 0.000 0.250 104 V C 1.122 176.906 176.094 -0.517 0.000 1.060 104 V CA 1.407 63.516 62.300 -0.319 0.000 1.042 104 V CB -0.465 31.090 31.823 -0.447 0.000 0.650 104 V HN 0.442 nan 8.190 nan 0.000 0.450 105 F N 1.926 121.789 119.950 -0.145 0.000 2.626 105 F HA 0.321 4.851 4.527 0.005 0.000 0.353 105 F C 0.817 176.322 175.800 -0.492 0.000 1.230 105 F CA -0.314 57.561 58.000 -0.209 0.000 1.298 105 F CB -0.566 38.378 39.000 -0.093 0.000 1.670 105 F HN 0.358 nan 8.300 nan 0.000 0.633 106 Q N -1.182 118.222 119.800 -0.660 0.000 2.962 106 Q HA 0.531 4.875 4.340 0.006 0.000 0.282 106 Q C -0.353 175.090 176.000 -0.928 0.000 1.058 106 Q CA -1.188 53.778 55.803 -1.394 0.000 0.854 106 Q CB 0.535 28.742 28.738 -0.883 0.000 1.441 106 Q HN 0.126 nan 8.270 nan 0.000 0.497 107 T N 0.708 114.799 114.554 -0.771 0.000 2.933 107 T HA 0.044 4.398 4.350 0.006 0.000 0.306 107 T C 1.197 175.703 174.700 -0.324 0.000 1.045 107 T CA 0.510 62.418 62.100 -0.320 0.000 1.143 107 T CB 0.435 69.223 68.868 -0.133 0.000 1.003 107 T HN 0.765 nan 8.240 nan 0.000 0.540 108 G N 1.481 110.134 108.800 -0.244 0.000 2.559 108 G HA2 -0.146 3.817 3.960 0.006 0.000 0.216 108 G HA3 -0.146 3.817 3.960 0.006 0.000 0.216 108 G C 1.595 176.392 174.900 -0.171 0.000 1.126 108 G CA 0.530 45.489 45.100 -0.235 0.000 0.778 108 G HN 0.769 nan 8.290 nan 0.000 0.543 109 S N -0.721 114.884 115.700 -0.158 0.000 2.527 109 S HA 0.324 4.798 4.470 0.006 0.000 0.222 109 S C 1.903 176.345 174.600 -0.264 0.000 0.985 109 S CA 0.915 59.053 58.200 -0.104 0.000 0.921 109 S CB -0.080 63.091 63.200 -0.049 0.000 0.772 109 S HN 1.396 nan 8.310 nan 0.000 0.529 110 G N 0.819 109.281 108.800 -0.564 0.000 2.153 110 G HA2 -0.316 3.648 3.960 0.006 0.000 0.252 110 G HA3 -0.316 3.648 3.960 0.006 0.000 0.252 110 G C 0.679 175.272 174.900 -0.512 0.000 0.994 110 G CA 0.638 45.071 45.100 -1.112 0.000 0.698 110 G HN 0.496 nan 8.290 nan 0.000 0.521 111 T N 0.703 115.112 114.554 -0.242 0.000 2.720 111 T HA -0.130 4.224 4.350 0.006 0.000 0.268 111 T C 2.644 177.310 174.700 -0.057 0.000 1.037 111 T CA 2.026 64.075 62.100 -0.085 0.000 1.144 111 T CB -0.245 68.601 68.868 -0.037 0.000 0.864 111 T HN 0.482 nan 8.240 nan 0.000 0.444 112 S N 1.283 116.930 115.700 -0.088 0.000 2.359 112 S HA -0.100 4.373 4.470 0.006 0.000 0.224 112 S C 2.489 177.081 174.600 -0.013 0.000 1.035 112 S CA 1.180 59.366 58.200 -0.023 0.000 1.018 112 S CB -0.397 62.807 63.200 0.008 0.000 0.876 112 S HN 0.422 nan 8.310 nan 0.000 0.448 113 S N 1.485 117.155 115.700 -0.050 0.000 2.383 113 S HA -0.064 4.409 4.470 0.006 0.000 0.227 113 S C 1.799 176.515 174.600 0.193 0.000 1.026 113 S CA 0.898 59.158 58.200 0.100 0.000 0.981 113 S CB -0.462 62.828 63.200 0.151 0.000 0.818 113 S HN 0.536 nan 8.310 nan 0.000 0.472 114 N N 1.724 120.513 118.700 0.148 0.000 2.043 114 N HA -0.044 4.699 4.740 0.006 0.000 0.193 114 N C 1.672 177.259 175.510 0.129 0.000 1.037 114 N CA 1.691 54.845 53.050 0.174 0.000 0.851 114 N CB -0.307 38.264 38.487 0.141 0.000 1.027 114 N HN 0.341 nan 8.380 nan 0.000 0.422 115 M N -0.057 119.592 119.600 0.081 0.000 2.149 115 M HA -0.153 4.330 4.480 0.006 0.000 0.261 115 M C 2.075 178.405 176.300 0.050 0.000 1.064 115 M CA 1.402 56.737 55.300 0.059 0.000 1.102 115 M CB -0.537 32.086 32.600 0.039 0.000 1.369 115 M HN 0.339 nan 8.290 nan 0.000 0.408 116 N N -0.430 118.297 118.700 0.046 0.000 2.061 116 N HA -0.182 4.562 4.740 0.006 0.000 0.193 116 N C 1.313 176.807 175.510 -0.027 0.000 1.030 116 N CA 2.002 55.036 53.050 -0.027 0.000 0.856 116 N CB 0.120 38.593 38.487 -0.024 0.000 1.023 116 N HN 0.297 nan 8.380 nan 0.000 0.424 117 T N 0.621 115.284 114.554 0.180 0.000 2.737 117 T HA -0.059 4.295 4.350 0.006 0.000 0.265 117 T C 1.512 176.289 174.700 0.130 0.000 1.038 117 T CA 0.973 63.239 62.100 0.276 0.000 1.144 117 T CB -0.372 68.703 68.868 0.344 0.000 0.866 117 T HN 0.299 nan 8.240 nan 0.000 0.434 118 N N 1.265 120.024 118.700 0.098 0.000 2.104 118 N HA -0.084 4.660 4.740 0.006 0.000 0.190 118 N C 1.924 177.446 175.510 0.020 0.000 1.024 118 N CA 1.135 54.222 53.050 0.061 0.000 0.853 118 N CB -0.272 38.251 38.487 0.059 0.000 1.008 118 N HN 0.577 nan 8.380 nan 0.000 0.424 119 E N 0.185 120.388 120.200 0.005 0.000 2.047 119 E HA -0.062 4.292 4.350 0.006 0.000 0.191 119 E C 1.997 178.575 176.600 -0.037 0.000 0.987 119 E CA 0.714 57.104 56.400 -0.017 0.000 0.799 119 E CB 0.041 29.747 29.700 0.010 0.000 0.752 119 E HN 0.044 nan 8.360 nan 0.000 0.449 120 V N 1.604 121.482 119.914 -0.060 0.000 2.343 120 V HA -0.265 3.859 4.120 0.006 0.000 0.247 120 V C 2.247 178.290 176.094 -0.086 0.000 1.051 120 V CA 1.504 63.738 62.300 -0.109 0.000 1.036 120 V CB -0.386 31.309 31.823 -0.213 0.000 0.654 120 V HN 0.267 nan 8.190 nan 0.000 0.451 121 I N 0.371 120.926 120.570 -0.024 0.000 2.179 121 I HA -0.263 3.911 4.170 0.006 0.000 0.242 121 I C 2.695 178.799 176.117 -0.021 0.000 1.088 121 I CA 1.560 62.855 61.300 -0.007 0.000 1.357 121 I CB -0.625 37.398 38.000 0.039 0.000 1.051 121 I HN 0.299 nan 8.210 nan 0.000 0.409 122 A N 0.093 122.900 122.820 -0.021 0.000 1.908 122 A HA -0.229 4.094 4.320 0.006 0.000 0.218 122 A C 2.481 180.039 177.584 -0.043 0.000 1.181 122 A CA 2.373 54.392 52.037 -0.029 0.000 0.627 122 A CB -0.780 18.192 19.000 -0.046 0.000 0.818 122 A HN 0.410 nan 8.150 nan 0.000 0.445 123 S N -0.244 115.419 115.700 -0.062 0.000 2.356 123 S HA -0.118 4.355 4.470 0.006 0.000 0.223 123 S C 1.816 176.374 174.600 -0.070 0.000 1.032 123 S CA 1.498 59.653 58.200 -0.075 0.000 1.005 123 S CB -0.503 62.636 63.200 -0.102 0.000 0.867 123 S HN 0.550 nan 8.310 nan 0.000 0.449 124 I N 1.807 122.327 120.570 -0.084 0.000 2.142 124 I HA -0.238 3.935 4.170 0.006 0.000 0.240 124 I C 2.745 178.846 176.117 -0.025 0.000 1.078 124 I CA 1.168 62.428 61.300 -0.067 0.000 1.343 124 I CB -0.588 37.352 38.000 -0.099 0.000 1.046 124 I HN 0.261 nan 8.210 nan 0.000 0.405 125 A N 1.009 123.818 122.820 -0.018 0.000 1.892 125 A HA -0.198 4.126 4.320 0.006 0.000 0.218 125 A C 2.439 180.020 177.584 -0.006 0.000 1.188 125 A CA 2.211 54.246 52.037 -0.003 0.000 0.631 125 A CB -1.573 17.429 19.000 0.004 0.000 0.822 125 A HN 0.494 nan 8.150 nan 0.000 0.447 126 G N -0.760 108.031 108.800 -0.016 0.000 2.418 126 G HA2 0.032 3.996 3.960 0.006 0.000 0.217 126 G HA3 0.032 3.996 3.960 0.006 0.000 0.217 126 G C 1.676 176.567 174.900 -0.015 0.000 1.158 126 G CA 1.304 46.394 45.100 -0.017 0.000 0.771 126 G HN 0.906 nan 8.290 nan 0.000 0.545 127 A N 0.571 123.379 122.820 -0.019 0.000 2.125 127 A HA 0.008 4.332 4.320 0.006 0.000 0.219 127 A C 1.896 179.478 177.584 -0.003 0.000 1.156 127 A CA 1.210 53.239 52.037 -0.014 0.000 0.671 127 A CB -0.181 18.809 19.000 -0.016 0.000 0.794 127 A HN 0.337 nan 8.150 nan 0.000 0.459 128 N N -0.899 117.801 118.700 0.000 0.000 2.235 128 N HA 0.194 4.937 4.740 0.006 0.000 0.209 128 N C 1.002 176.515 175.510 0.005 0.000 1.122 128 N CA 0.871 53.925 53.050 0.007 0.000 0.845 128 N CB 0.642 39.137 38.487 0.013 0.000 1.004 128 N HN 0.566 nan 8.380 nan 0.000 0.499 129 G N 0.041 108.842 108.800 0.002 0.000 2.143 129 G HA2 -0.251 3.713 3.960 0.006 0.000 0.249 129 G HA3 -0.251 3.713 3.960 0.006 0.000 0.249 129 G C -0.205 174.698 174.900 0.005 0.000 0.981 129 G CA 0.165 45.266 45.100 0.002 0.000 0.665 129 G HN 0.178 nan 8.290 nan 0.000 0.528 130 V N 0.770 120.687 119.914 0.006 0.000 2.378 130 V HA 0.778 4.902 4.120 0.006 0.000 0.288 130 V C 0.631 176.730 176.094 0.009 0.000 1.016 130 V CA -0.516 61.790 62.300 0.009 0.000 0.840 130 V CB 1.490 33.321 31.823 0.013 0.000 0.994 130 V HN 1.117 nan 8.190 nan 0.000 0.431 131 A N 5.404 128.232 122.820 0.012 0.000 2.354 131 A HA 0.705 5.028 4.320 0.006 0.000 0.281 131 A C -0.104 177.498 177.584 0.029 0.000 1.174 131 A CA -0.230 51.816 52.037 0.016 0.000 0.828 131 A CB 0.393 19.405 19.000 0.019 0.000 1.099 131 A HN 1.449 nan 8.150 nan 0.000 0.516 132 V N 1.087 121.019 119.914 0.030 0.000 2.876 132 V HA 0.511 4.635 4.120 0.006 0.000 0.312 132 V C -0.259 175.874 176.094 0.065 0.000 1.085 132 V CA -0.923 61.409 62.300 0.053 0.000 0.945 132 V CB 1.680 33.530 31.823 0.044 0.000 1.017 132 V HN 0.894 nan 8.190 nan 0.000 0.428 133 H N 5.304 124.379 119.070 0.008 0.000 2.580 133 H HA 0.425 4.984 4.556 0.006 0.000 0.322 133 H C -1.998 173.338 175.328 0.014 0.000 1.082 133 H CA -1.564 54.489 56.048 0.008 0.000 1.383 133 H CB 2.558 32.323 29.762 0.006 0.000 1.450 133 H HN 0.524 nan 8.280 nan 0.000 0.505 134 P HA -0.178 nan 4.420 nan 0.000 0.215 134 P C 1.269 178.626 177.300 0.095 0.000 1.157 134 P CA 1.196 64.273 63.100 -0.037 0.000 0.868 134 P CB 0.471 32.109 31.700 -0.104 0.000 0.788 135 N N -0.534 118.306 118.700 0.234 0.000 2.132 135 N HA -0.111 4.633 4.740 0.006 0.000 0.187 135 N C 1.225 176.858 175.510 0.205 0.000 1.038 135 N CA 1.098 54.292 53.050 0.240 0.000 0.846 135 N CB -0.179 38.448 38.487 0.233 0.000 1.012 135 N HN -0.132 nan 8.380 nan 0.000 0.429 136 D N 0.687 121.239 120.400 0.253 0.000 2.144 136 D HA -0.099 4.545 4.640 0.006 0.000 0.200 136 D C 1.021 177.347 176.300 0.042 0.000 0.978 136 D CA 1.105 55.105 54.000 0.000 0.000 0.833 136 D CB -0.119 40.535 40.800 -0.244 0.000 0.961 136 D HN 0.394 nan 8.370 nan 0.000 0.470 137 D N -0.551 119.913 120.400 0.107 0.000 2.652 137 D HA 0.018 4.662 4.640 0.006 0.000 0.261 137 D C 2.311 178.656 176.300 0.076 0.000 1.024 137 D CA 0.250 54.296 54.000 0.077 0.000 0.958 137 D CB -0.084 40.766 40.800 0.083 0.000 1.113 137 D HN 0.007 nan 8.370 nan 0.000 0.471 138 V N 1.317 121.283 119.914 0.087 0.000 2.515 138 V HA -0.139 3.985 4.120 0.006 0.000 0.250 138 V C 1.507 177.653 176.094 0.085 0.000 1.058 138 V CA 1.338 63.685 62.300 0.079 0.000 1.064 138 V CB -0.533 31.331 31.823 0.069 0.000 0.675 138 V HN 0.065 nan 8.190 nan 0.000 0.461 139 N N -0.457 118.293 118.700 0.083 0.000 2.251 139 N HA 0.183 4.927 4.740 0.006 0.000 0.217 139 N C 0.421 175.954 175.510 0.038 0.000 1.124 139 N CA -0.099 52.995 53.050 0.073 0.000 0.843 139 N CB -0.032 38.499 38.487 0.074 0.000 1.024 139 N HN 0.448 nan 8.380 nan 0.000 0.501 140 M N 0.411 120.028 119.600 0.027 0.000 2.252 140 M HA -0.022 4.461 4.480 0.006 0.000 0.348 140 M C 0.098 176.320 176.300 -0.129 0.000 1.334 140 M CA 0.802 56.081 55.300 -0.035 0.000 1.071 140 M CB 0.214 32.803 32.600 -0.019 0.000 1.763 140 M HN 0.272 nan 8.290 nan 0.000 0.452 141 S N 1.117 116.676 115.700 -0.236 0.000 3.084 141 S HA -0.199 4.274 4.470 0.006 0.000 0.277 141 S C -0.403 173.974 174.600 -0.372 0.000 1.295 141 S CA 1.319 59.218 58.200 -0.502 0.000 1.170 141 S CB -1.493 61.000 63.200 -1.178 0.000 1.412 141 S HN 0.917 nan 8.310 nan 0.000 0.669 142 Q N 0.053 119.780 119.800 -0.121 0.000 2.359 142 Q HA 0.781 5.125 4.340 0.006 0.000 0.275 142 Q C -0.298 175.710 176.000 0.014 0.000 1.082 142 Q CA -0.439 55.370 55.803 0.009 0.000 0.849 142 Q CB 2.108 30.899 28.738 0.087 0.000 1.377 142 Q HN 0.209 nan 8.270 nan 0.000 0.452 143 S N -0.806 114.920 115.700 0.042 0.000 2.634 143 S HA 0.296 4.770 4.470 0.006 0.000 0.296 143 S C 0.668 175.310 174.600 0.069 0.000 1.104 143 S CA -0.062 58.164 58.200 0.043 0.000 0.920 143 S CB 1.518 64.738 63.200 0.034 0.000 1.111 143 S HN 0.722 nan 8.310 nan 0.000 0.493 144 S N 2.418 118.158 115.700 0.067 0.000 2.423 144 S HA -0.086 4.387 4.470 0.006 0.000 0.231 144 S C 1.186 175.850 174.600 0.106 0.000 1.014 144 S CA 1.202 59.457 58.200 0.091 0.000 0.965 144 S CB -0.741 62.494 63.200 0.060 0.000 0.785 144 S HN 0.733 nan 8.310 nan 0.000 0.495 145 N N 2.731 121.476 118.700 0.076 0.000 2.309 145 N HA -0.068 4.676 4.740 0.006 0.000 0.182 145 N C 1.216 176.774 175.510 0.079 0.000 1.018 145 N CA 1.550 54.646 53.050 0.077 0.000 0.876 145 N CB -0.421 38.100 38.487 0.057 0.000 0.972 145 N HN 0.854 nan 8.380 nan 0.000 0.434 146 D N -0.825 119.617 120.400 0.070 0.000 2.388 146 D HA -0.013 4.631 4.640 0.006 0.000 0.208 146 D C 1.547 177.892 176.300 0.074 0.000 1.035 146 D CA 0.780 54.813 54.000 0.055 0.000 0.875 146 D CB -0.640 40.182 40.800 0.036 0.000 0.984 146 D HN 0.233 nan 8.370 nan 0.000 0.508 147 T N -1.687 112.931 114.554 0.107 0.000 2.814 147 T HA -0.024 4.329 4.350 0.006 0.000 0.254 147 T C 1.904 176.676 174.700 0.119 0.000 1.037 147 T CA 0.369 62.535 62.100 0.110 0.000 1.143 147 T CB -1.038 67.909 68.868 0.131 0.000 0.866 147 T HN 0.051 nan 8.240 nan 0.000 0.431 148 F N 4.218 124.189 119.950 0.035 0.000 2.134 148 F HA 0.078 4.609 4.527 0.007 0.000 0.299 148 F C -0.767 175.061 175.800 0.046 0.000 1.097 148 F CA 0.684 58.702 58.000 0.030 0.000 1.264 148 F CB -0.750 38.261 39.000 0.018 0.000 1.001 148 F HN 0.150 nan 8.300 nan 0.000 0.479 149 P HA -0.085 nan 4.420 nan 0.000 0.221 149 P C 1.507 178.840 177.300 0.055 0.000 1.150 149 P CA 1.643 64.807 63.100 0.107 0.000 0.800 149 P CB -0.275 31.503 31.700 0.129 0.000 0.787 150 T N 0.482 115.035 114.554 -0.002 0.000 2.674 150 T HA -0.086 4.268 4.350 0.006 0.000 0.265 150 T C 2.073 176.744 174.700 -0.049 0.000 1.039 150 T CA 1.836 63.923 62.100 -0.022 0.000 1.150 150 T CB -0.888 67.968 68.868 -0.021 0.000 0.864 150 T HN 0.064 nan 8.240 nan 0.000 0.427 151 A N 1.222 123.967 122.820 -0.125 0.000 1.940 151 A HA -0.152 4.171 4.320 0.006 0.000 0.219 151 A C 2.529 179.969 177.584 -0.240 0.000 1.176 151 A CA 2.162 54.083 52.037 -0.193 0.000 0.631 151 A CB -1.267 17.578 19.000 -0.258 0.000 0.814 151 A HN 0.490 nan 8.150 nan 0.000 0.446 152 T N -0.985 113.388 114.554 -0.302 0.000 2.708 152 T HA -0.136 4.218 4.350 0.006 0.000 0.266 152 T C 1.786 176.391 174.700 -0.158 0.000 1.037 152 T CA 1.488 63.431 62.100 -0.261 0.000 1.146 152 T CB -0.461 68.270 68.868 -0.229 0.000 0.865 152 T HN 0.654 nan 8.240 nan 0.000 0.435 153 H N 0.137 119.135 119.070 -0.120 0.000 2.428 153 H HA 0.133 4.692 4.556 0.006 0.000 0.296 153 H C 2.329 177.601 175.328 -0.092 0.000 1.062 153 H CA 0.868 56.870 56.048 -0.077 0.000 1.350 153 H CB -0.069 29.663 29.762 -0.050 0.000 1.403 153 H HN 0.326 nan 8.280 nan 0.000 0.533 154 I N 0.785 121.355 120.570 -0.001 0.000 2.179 154 I HA -0.250 3.923 4.170 0.006 0.000 0.242 154 I C 2.869 178.925 176.117 -0.101 0.000 1.088 154 I CA 1.067 62.336 61.300 -0.052 0.000 1.357 154 I CB -0.260 37.702 38.000 -0.063 0.000 1.051 154 I HN 0.158 nan 8.210 nan 0.000 0.409 155 A N 0.609 123.349 122.820 -0.134 0.000 1.902 155 A HA -0.151 4.172 4.320 0.006 0.000 0.217 155 A C 2.515 179.965 177.584 -0.223 0.000 1.181 155 A CA 1.882 53.821 52.037 -0.164 0.000 0.623 155 A CB -0.850 18.047 19.000 -0.171 0.000 0.818 155 A HN 0.443 nan 8.150 nan 0.000 0.443 156 A N -1.115 121.568 122.820 -0.229 0.000 1.898 156 A HA -0.043 4.280 4.320 0.006 0.000 0.216 156 A C 2.297 179.628 177.584 -0.421 0.000 1.181 156 A CA 2.189 54.027 52.037 -0.331 0.000 0.620 156 A CB -1.164 17.739 19.000 -0.162 0.000 0.819 156 A HN 0.423 nan 8.150 nan 0.000 0.442 157 T N -0.509 113.914 114.554 -0.217 0.000 2.708 157 T HA -0.145 4.208 4.350 0.006 0.000 0.266 157 T C 1.868 176.456 174.700 -0.187 0.000 1.037 157 T CA 1.554 63.559 62.100 -0.159 0.000 1.146 157 T CB -0.216 68.614 68.868 -0.064 0.000 0.865 157 T HN 0.713 nan 8.240 nan 0.000 0.435 158 E N 0.948 121.052 120.200 -0.161 0.000 2.077 158 E HA -0.136 4.218 4.350 0.006 0.000 0.193 158 E C 2.375 178.923 176.600 -0.086 0.000 0.989 158 E CA 1.048 57.388 56.400 -0.100 0.000 0.800 158 E CB -0.241 29.424 29.700 -0.059 0.000 0.746 158 E HN 0.463 nan 8.360 nan 0.000 0.452 159 A N 1.129 123.790 122.820 -0.265 0.000 1.908 159 A HA -0.155 4.168 4.320 0.006 0.000 0.218 159 A C 2.401 179.735 177.584 -0.417 0.000 1.181 159 A CA 2.029 53.843 52.037 -0.371 0.000 0.627 159 A CB -0.879 17.657 19.000 -0.775 0.000 0.818 159 A HN 0.436 nan 8.150 nan 0.000 0.445 160 A N -0.869 121.572 122.820 -0.632 0.000 1.873 160 A HA 0.067 4.391 4.320 0.006 0.000 0.215 160 A C 2.238 179.788 177.584 -0.057 0.000 1.186 160 A CA 1.808 53.706 52.037 -0.231 0.000 0.616 160 A CB -0.785 18.160 19.000 -0.091 0.000 0.823 160 A HN 0.389 nan 8.150 nan 0.000 0.442 161 V N -0.659 119.201 119.914 -0.090 0.000 2.346 161 V HA -0.093 4.030 4.120 0.006 0.000 0.244 161 V C 2.454 178.496 176.094 -0.086 0.000 1.037 161 V CA 2.178 64.441 62.300 -0.061 0.000 1.029 161 V CB -0.342 31.444 31.823 -0.062 0.000 0.663 161 V HN 0.503 nan 8.190 nan 0.000 0.454 162 S N -1.966 113.653 115.700 -0.135 0.000 2.503 162 S HA 0.108 4.582 4.470 0.006 0.000 0.215 162 S C 1.474 175.775 174.600 -0.499 0.000 1.003 162 S CA 0.138 58.159 58.200 -0.298 0.000 0.910 162 S CB 0.012 62.998 63.200 -0.356 0.000 0.790 162 S HN 0.655 nan 8.310 nan 0.000 0.514 163 H N -0.586 118.453 119.070 -0.052 0.000 2.179 163 H HA 0.294 4.853 4.556 0.006 0.000 0.246 163 H C 1.787 177.126 175.328 0.019 0.000 0.904 163 H CA 0.141 56.176 56.048 -0.021 0.000 1.113 163 H CB -0.593 29.148 29.762 -0.035 0.000 1.396 163 H HN 0.172 nan 8.280 nan 0.000 0.484 164 L N 1.584 122.910 121.223 0.171 0.000 2.044 164 L HA -0.003 4.341 4.340 0.006 0.000 0.205 164 L C 2.219 179.156 176.870 0.113 0.000 1.075 164 L CA 1.271 56.218 54.840 0.178 0.000 0.747 164 L CB -0.748 41.497 42.059 0.310 0.000 0.903 164 L HN 0.124 nan 8.230 nan 0.000 0.435 165 I N -0.039 120.580 120.570 0.082 0.000 2.163 165 I HA -0.215 3.959 4.170 0.006 0.000 0.243 165 I C -0.397 175.739 176.117 0.032 0.000 1.085 165 I CA 1.316 62.648 61.300 0.053 0.000 1.347 165 I CB -1.450 36.571 38.000 0.035 0.000 1.044 165 I HN 0.266 nan 8.210 nan 0.000 0.408 166 P HA -0.151 nan 4.420 nan 0.000 0.218 166 P C 1.380 178.693 177.300 0.022 0.000 1.149 166 P CA 1.671 64.772 63.100 0.002 0.000 0.817 166 P CB -0.026 31.655 31.700 -0.031 0.000 0.785 167 A N -0.690 122.156 122.820 0.044 0.000 1.930 167 A HA -0.112 4.211 4.320 0.006 0.000 0.217 167 A C 2.170 179.788 177.584 0.056 0.000 1.175 167 A CA 1.197 53.268 52.037 0.057 0.000 0.627 167 A CB -1.556 17.491 19.000 0.080 0.000 0.815 167 A HN 0.117 nan 8.150 nan 0.000 0.443 168 L N -0.678 120.581 121.223 0.060 0.000 2.141 168 L HA -0.171 4.172 4.340 0.006 0.000 0.209 168 L C 2.490 179.385 176.870 0.041 0.000 1.094 168 L CA 1.352 56.226 54.840 0.057 0.000 0.763 168 L CB -0.547 41.548 42.059 0.060 0.000 0.908 168 L HN 0.465 nan 8.230 nan 0.000 0.437 169 E N 0.373 120.592 120.200 0.031 0.000 2.110 169 E HA -0.213 4.141 4.350 0.006 0.000 0.193 169 E C 2.277 178.885 176.600 0.014 0.000 0.988 169 E CA 1.119 57.531 56.400 0.019 0.000 0.804 169 E CB -0.085 29.622 29.700 0.011 0.000 0.745 169 E HN 0.480 nan 8.360 nan 0.000 0.458 170 I N 0.719 121.299 120.570 0.015 0.000 2.179 170 I HA -0.267 3.907 4.170 0.006 0.000 0.242 170 I C 2.448 178.568 176.117 0.004 0.000 1.088 170 I CA 0.642 61.947 61.300 0.008 0.000 1.357 170 I CB -0.136 37.872 38.000 0.014 0.000 1.051 170 I HN 0.146 nan 8.210 nan 0.000 0.409 171 L N 0.552 121.786 121.223 0.018 0.000 2.017 171 L HA -0.254 4.090 4.340 0.006 0.000 0.208 171 L C 2.543 179.417 176.870 0.006 0.000 1.073 171 L CA 1.853 56.698 54.840 0.009 0.000 0.745 171 L CB -0.849 41.239 42.059 0.047 0.000 0.894 171 L HN 0.254 nan 8.230 nan 0.000 0.432 172 Q N -0.755 119.058 119.800 0.023 0.000 2.061 172 Q HA -0.260 4.083 4.340 0.006 0.000 0.204 172 Q C 1.768 177.777 176.000 0.016 0.000 0.984 172 Q CA 2.226 58.046 55.803 0.028 0.000 0.846 172 Q CB -0.123 28.632 28.738 0.028 0.000 0.902 172 Q HN 0.572 nan 8.270 nan 0.000 0.421 173 D N 0.002 120.404 120.400 0.003 0.000 2.144 173 D HA -0.147 4.497 4.640 0.006 0.000 0.199 173 D C 1.692 177.975 176.300 -0.027 0.000 0.984 173 D CA 1.350 55.344 54.000 -0.011 0.000 0.834 173 D CB -0.276 40.515 40.800 -0.014 0.000 0.955 173 D HN 0.411 nan 8.370 nan 0.000 0.465 174 A N 0.591 123.390 122.820 -0.035 0.000 1.902 174 A HA -0.112 4.211 4.320 0.006 0.000 0.217 174 A C 2.405 179.958 177.584 -0.052 0.000 1.181 174 A CA 0.897 52.895 52.037 -0.065 0.000 0.623 174 A CB -0.765 18.185 19.000 -0.083 0.000 0.818 174 A HN 0.195 nan 8.150 nan 0.000 0.443 175 L N -0.804 120.425 121.223 0.011 0.000 2.046 175 L HA -0.179 4.164 4.340 0.006 0.000 0.208 175 L C 3.092 180.023 176.870 0.102 0.000 1.077 175 L CA 1.113 56.032 54.840 0.132 0.000 0.747 175 L CB -0.511 41.644 42.059 0.159 0.000 0.896 175 L HN 0.429 nan 8.230 nan 0.000 0.432 176 A N -0.685 122.160 122.820 0.043 0.000 1.930 176 A HA -0.179 4.145 4.320 0.006 0.000 0.217 176 A C 2.359 179.925 177.584 -0.030 0.000 1.175 176 A CA 2.192 54.240 52.037 0.020 0.000 0.627 176 A CB -0.840 18.167 19.000 0.012 0.000 0.815 176 A HN 0.375 nan 8.150 nan 0.000 0.443 177 T N -0.310 114.204 114.554 -0.066 0.000 2.708 177 T HA -0.129 4.224 4.350 0.006 0.000 0.266 177 T C 2.098 176.675 174.700 -0.205 0.000 1.037 177 T CA 1.821 63.852 62.100 -0.115 0.000 1.146 177 T CB -0.169 68.629 68.868 -0.116 0.000 0.865 177 T HN 0.397 nan 8.240 nan 0.000 0.435 178 K N 1.671 121.900 120.400 -0.286 0.000 2.057 178 K HA 0.140 4.464 4.320 0.006 0.000 0.207 178 K C 2.266 178.588 176.600 -0.464 0.000 1.049 178 K CA 1.339 57.270 56.287 -0.593 0.000 0.931 178 K CB -0.900 31.143 32.500 -0.761 0.000 0.714 178 K HN 0.269 nan 8.250 nan 0.000 0.440 179 A N 0.487 123.222 122.820 -0.141 0.000 1.908 179 A HA -0.159 4.164 4.320 0.006 0.000 0.218 179 A C 2.115 179.705 177.584 0.010 0.000 1.181 179 A CA 1.695 53.750 52.037 0.030 0.000 0.627 179 A CB -0.726 18.335 19.000 0.101 0.000 0.818 179 A HN 0.325 nan 8.150 nan 0.000 0.445 180 L N 0.084 121.284 121.223 -0.038 0.000 2.046 180 L HA -0.136 4.208 4.340 0.006 0.000 0.208 180 L C 2.309 179.160 176.870 -0.031 0.000 1.077 180 L CA 2.581 57.406 54.840 -0.025 0.000 0.747 180 L CB -0.673 41.363 42.059 -0.038 0.000 0.896 180 L HN 0.619 nan 8.230 nan 0.000 0.432 181 E N -1.383 118.745 120.200 -0.121 0.000 2.118 181 E HA -0.260 4.094 4.350 0.006 0.000 0.195 181 E C 0.982 177.632 176.600 0.083 0.000 0.992 181 E CA 1.368 57.696 56.400 -0.120 0.000 0.804 181 E CB -0.166 29.328 29.700 -0.343 0.000 0.741 181 E HN 0.572 nan 8.360 nan 0.000 0.458 182 W N 1.277 122.527 121.300 -0.084 0.000 3.325 182 W HA 0.208 4.871 4.660 0.006 0.000 0.370 182 W C 1.604 178.099 176.519 -0.041 0.000 1.169 182 W CA -0.618 56.681 57.345 -0.077 0.000 1.874 182 W CB -0.439 28.940 29.460 -0.136 0.000 1.076 182 W HN 0.284 nan 8.180 nan 0.000 0.684 183 Q N 0.328 120.225 119.800 0.162 0.000 2.197 183 Q HA -0.165 4.179 4.340 0.006 0.000 0.207 183 Q C 1.036 177.077 176.000 0.070 0.000 0.984 183 Q CA 1.833 57.692 55.803 0.093 0.000 0.869 183 Q CB 0.135 28.907 28.738 0.057 0.000 0.906 183 Q HN -0.041 nan 8.270 nan 0.000 0.426 184 S N -0.610 115.131 115.700 0.067 0.000 2.602 184 S HA 0.190 4.663 4.470 0.006 0.000 0.240 184 S C -0.396 174.213 174.600 0.015 0.000 0.992 184 S CA -0.375 57.846 58.200 0.035 0.000 0.971 184 S CB 1.328 64.546 63.200 0.029 0.000 0.855 184 S HN 0.041 nan 8.310 nan 0.000 0.481 185 V N 2.865 122.785 119.914 0.010 0.000 2.223 185 V HA 0.204 4.327 4.120 0.006 0.000 0.249 185 V C 0.417 176.465 176.094 -0.077 0.000 1.233 185 V CA -0.303 61.953 62.300 -0.073 0.000 1.131 185 V CB 0.244 31.934 31.823 -0.222 0.000 1.298 185 V HN 0.297 nan 8.190 nan 0.000 0.498 186 V N 6.593 126.475 119.914 -0.053 0.000 2.715 186 V HA 0.515 4.639 4.120 0.006 0.000 0.299 186 V C 0.232 176.287 176.094 -0.065 0.000 1.054 186 V CA 0.086 62.359 62.300 -0.045 0.000 1.077 186 V CB 1.220 33.025 31.823 -0.031 0.000 0.972 186 V HN 1.027 nan 8.190 nan 0.000 0.484 187 K N 3.240 123.608 120.400 -0.053 0.000 2.507 187 K HA 0.575 4.899 4.320 0.006 0.000 0.284 187 K C -0.952 175.626 176.600 -0.037 0.000 1.038 187 K CA -0.815 55.437 56.287 -0.057 0.000 0.903 187 K CB 1.457 33.920 32.500 -0.062 0.000 1.531 187 K HN 0.367 nan 8.250 nan 0.000 0.430 188 S N 0.294 115.972 115.700 -0.035 0.000 2.548 188 S HA 0.345 4.819 4.470 0.006 0.000 0.277 188 S C 0.277 174.870 174.600 -0.012 0.000 1.315 188 S CA -0.268 57.918 58.200 -0.023 0.000 1.050 188 S CB 0.838 64.023 63.200 -0.025 0.000 0.918 188 S HN 0.663 nan 8.310 nan 0.000 0.497 189 G N 2.205 111.000 108.800 -0.008 0.000 2.636 189 G HA2 0.383 4.346 3.960 0.006 0.000 0.246 189 G HA3 0.383 4.346 3.960 0.006 0.000 0.246 189 G C -0.478 174.420 174.900 -0.002 0.000 1.216 189 G CA -0.512 44.586 45.100 -0.003 0.000 0.854 189 G HN 0.649 nan 8.290 nan 0.000 0.572 190 R N -0.316 120.182 120.500 -0.003 0.000 2.538 190 R HA 0.501 4.845 4.340 0.006 0.000 0.292 190 R C -0.790 175.503 176.300 -0.011 0.000 1.008 190 R CA -0.591 55.505 56.100 -0.007 0.000 0.896 190 R CB 2.155 32.443 30.300 -0.021 0.000 1.187 190 R HN 0.723 nan 8.270 nan 0.000 0.440 191 T N -1.050 113.511 114.554 0.013 0.000 2.861 191 T HA 0.287 4.640 4.350 0.006 0.000 0.287 191 T C 0.302 175.055 174.700 0.089 0.000 1.003 191 T CA -0.761 61.338 62.100 -0.002 0.000 0.977 191 T CB 1.057 69.947 68.868 0.038 0.000 0.996 191 T HN 0.848 nan 8.240 nan 0.000 0.448 192 H N 2.063 121.110 119.070 -0.040 0.000 3.047 192 H HA -0.165 4.395 4.556 0.006 0.000 0.263 192 H C 0.903 176.190 175.328 -0.068 0.000 1.168 192 H CA 0.844 56.864 56.048 -0.047 0.000 1.152 192 H CB -1.565 28.174 29.762 -0.037 0.000 1.278 192 H HN 0.882 nan 8.280 nan 0.000 0.339 193 L N -3.863 117.359 121.223 -0.001 0.000 4.937 193 L HA -0.260 4.083 4.340 0.006 0.000 0.422 193 L C 0.211 177.061 176.870 -0.034 0.000 1.059 193 L CA 0.984 55.786 54.840 -0.064 0.000 1.111 193 L CB -1.163 40.824 42.059 -0.121 0.000 2.033 193 L HN 0.109 nan 8.230 nan 0.000 0.708 194 M N -0.063 119.546 119.600 0.016 0.000 2.537 194 M HA 0.415 4.899 4.480 0.006 0.000 0.324 194 M C 0.294 176.599 176.300 0.008 0.000 1.187 194 M CA -0.619 54.685 55.300 0.006 0.000 0.993 194 M CB 0.716 33.322 32.600 0.010 0.000 1.666 194 M HN -0.126 nan 8.290 nan 0.000 0.461 195 D N 1.820 122.219 120.400 -0.003 0.000 2.583 195 D HA 0.347 4.990 4.640 0.006 0.000 0.232 195 D C -0.215 176.088 176.300 0.005 0.000 1.128 195 D CA 0.590 54.588 54.000 -0.003 0.000 0.859 195 D CB 0.461 41.257 40.800 -0.007 0.000 1.169 195 D HN 0.669 nan 8.370 nan 0.000 0.481 196 A N 1.541 124.363 122.820 0.003 0.000 2.524 196 A HA 0.675 4.998 4.320 0.006 0.000 0.286 196 A C -0.078 177.506 177.584 -0.000 0.000 1.203 196 A CA -0.723 51.318 52.037 0.007 0.000 0.736 196 A CB 0.691 19.699 19.000 0.014 0.000 1.322 196 A HN 0.423 nan 8.150 nan 0.000 0.424 197 V N -2.162 117.752 119.914 0.001 0.000 3.287 197 V HA 0.370 4.493 4.120 0.006 0.000 0.306 197 V C -2.537 173.553 176.094 -0.006 0.000 1.103 197 V CA -1.177 61.121 62.300 -0.003 0.000 1.159 197 V CB -0.769 31.054 31.823 -0.001 0.000 1.036 197 V HN 0.643 nan 8.190 nan 0.000 0.487 198 P HA 0.407 nan 4.420 nan 0.000 0.269 198 P C -0.468 176.826 177.300 -0.009 0.000 1.209 198 P CA 0.156 63.248 63.100 -0.012 0.000 0.776 198 P CB 0.910 32.601 31.700 -0.014 0.000 0.876 199 V N -1.091 118.817 119.914 -0.009 0.000 3.181 199 V HA 0.846 4.970 4.120 0.006 0.000 0.308 199 V C -0.436 175.656 176.094 -0.003 0.000 1.214 199 V CA -0.881 61.417 62.300 -0.004 0.000 1.053 199 V CB 1.696 33.516 31.823 -0.004 0.000 1.069 199 V HN 0.599 nan 8.190 nan 0.000 0.441 200 T N -0.926 113.634 114.554 0.009 0.000 2.943 200 T HA 0.584 4.938 4.350 0.006 0.000 0.284 200 T C 0.958 175.688 174.700 0.050 0.000 1.015 200 T CA -0.528 61.582 62.100 0.017 0.000 1.042 200 T CB 1.520 70.407 68.868 0.032 0.000 1.055 200 T HN 0.726 nan 8.240 nan 0.000 0.500 201 L N 1.454 122.701 121.223 0.040 0.000 2.079 201 L HA -0.002 4.341 4.340 0.006 0.000 0.210 201 L C 2.899 179.972 176.870 0.339 0.000 1.081 201 L CA 1.762 56.696 54.840 0.156 0.000 0.752 201 L CB -0.953 41.032 42.059 -0.124 0.000 0.896 201 L HN 1.047 nan 8.230 nan 0.000 0.433 202 G N -1.018 107.935 108.800 0.255 0.000 2.446 202 G HA2 -0.293 3.670 3.960 0.006 0.000 0.217 202 G HA3 -0.293 3.670 3.960 0.006 0.000 0.217 202 G C 1.454 176.446 174.900 0.153 0.000 1.168 202 G CA 0.532 45.768 45.100 0.227 0.000 0.771 202 G HN 0.392 nan 8.290 nan 0.000 0.551 203 Q N -0.031 119.822 119.800 0.087 0.000 2.050 203 Q HA -0.100 4.243 4.340 0.006 0.000 0.202 203 Q C 2.568 178.544 176.000 -0.041 0.000 0.980 203 Q CA 1.474 57.291 55.803 0.023 0.000 0.840 203 Q CB -0.146 28.597 28.738 0.008 0.000 0.898 203 Q HN 0.607 nan 8.270 nan 0.000 0.424 204 E N -0.064 120.107 120.200 -0.048 0.000 2.077 204 E HA -0.175 4.179 4.350 0.006 0.000 0.193 204 E C 1.723 177.893 176.600 -0.716 0.000 0.989 204 E CA 0.947 57.161 56.400 -0.310 0.000 0.800 204 E CB -0.131 29.444 29.700 -0.209 0.000 0.746 204 E HN 0.313 nan 8.360 nan 0.000 0.452 205 F N 1.036 120.752 119.950 -0.390 0.000 2.293 205 F HA -0.182 4.349 4.527 0.006 0.000 0.300 205 F C 2.844 178.550 175.800 -0.155 0.000 1.086 205 F CA 1.186 59.028 58.000 -0.262 0.000 1.375 205 F CB -0.158 38.873 39.000 0.053 0.000 1.045 205 F HN 0.033 nan 8.300 nan 0.000 0.516 206 S N -0.270 115.440 115.700 0.017 0.000 2.402 206 S HA -0.092 4.381 4.470 0.006 0.000 0.229 206 S C 2.344 176.917 174.600 -0.045 0.000 1.021 206 S CA 1.094 59.298 58.200 0.007 0.000 0.974 206 S CB -1.199 62.009 63.200 0.013 0.000 0.800 206 S HN 0.338 nan 8.310 nan 0.000 0.484 207 G N 0.504 109.213 108.800 -0.151 0.000 2.404 207 G HA2 -0.092 3.872 3.960 0.006 0.000 0.215 207 G HA3 -0.092 3.872 3.960 0.006 0.000 0.215 207 G C 1.235 176.126 174.900 -0.015 0.000 1.174 207 G CA 0.910 45.940 45.100 -0.117 0.000 0.780 207 G HN 0.562 nan 8.290 nan 0.000 0.537 208 Y N 1.480 121.741 120.300 -0.064 0.000 2.128 208 Y HA -0.015 4.538 4.550 0.006 0.000 0.284 208 Y C 3.160 179.046 175.900 -0.025 0.000 1.154 208 Y CA 0.178 58.228 58.100 -0.082 0.000 1.149 208 Y CB -1.324 37.011 38.460 -0.209 0.000 0.976 208 Y HN 0.267 nan 8.280 nan 0.000 0.505 209 A N 0.289 123.195 122.820 0.143 0.000 1.908 209 A HA -0.260 4.063 4.320 0.006 0.000 0.218 209 A C 2.350 179.974 177.584 0.066 0.000 1.181 209 A CA 2.138 54.231 52.037 0.095 0.000 0.627 209 A CB -0.687 18.359 19.000 0.076 0.000 0.818 209 A HN 0.329 nan 8.150 nan 0.000 0.445 210 R N 0.149 120.680 120.500 0.052 0.000 2.091 210 R HA -0.169 4.174 4.340 0.006 0.000 0.238 210 R C 2.208 178.537 176.300 0.047 0.000 1.136 210 R CA 2.285 58.408 56.100 0.040 0.000 0.959 210 R CB -0.797 29.518 30.300 0.025 0.000 0.856 210 R HN 0.702 nan 8.270 nan 0.000 0.437 211 Q N -0.478 119.361 119.800 0.066 0.000 2.152 211 Q HA -0.156 4.187 4.340 0.006 0.000 0.206 211 Q C 1.806 177.840 176.000 0.055 0.000 0.985 211 Q CA 1.481 57.322 55.803 0.063 0.000 0.863 211 Q CB -0.138 28.650 28.738 0.083 0.000 0.904 211 Q HN 0.333 nan 8.270 nan 0.000 0.422 212 I N 0.532 121.140 120.570 0.063 0.000 2.333 212 I HA -0.170 4.003 4.170 0.006 0.000 0.246 212 I C 2.277 178.421 176.117 0.045 0.000 1.106 212 I CA 1.152 62.485 61.300 0.056 0.000 1.411 212 I CB -1.178 36.860 38.000 0.063 0.000 1.082 212 I HN 0.306 nan 8.210 nan 0.000 0.420 213 E N 1.439 121.664 120.200 0.041 0.000 2.058 213 E HA -0.232 4.121 4.350 0.006 0.000 0.194 213 E C 2.278 178.896 176.600 0.030 0.000 0.997 213 E CA 1.690 58.110 56.400 0.033 0.000 0.801 213 E CB 0.069 29.787 29.700 0.029 0.000 0.746 213 E HN 0.406 nan 8.360 nan 0.000 0.450 214 A N 0.644 123.482 122.820 0.030 0.000 1.972 214 A HA -0.080 4.244 4.320 0.006 0.000 0.219 214 A C 2.383 179.982 177.584 0.026 0.000 1.169 214 A CA 1.606 53.658 52.037 0.026 0.000 0.635 214 A CB -1.096 17.918 19.000 0.024 0.000 0.810 214 A HN 0.468 nan 8.150 nan 0.000 0.446 215 G N 0.219 109.038 108.800 0.030 0.000 2.440 215 G HA2 -0.217 3.747 3.960 0.006 0.000 0.218 215 G HA3 -0.217 3.747 3.960 0.006 0.000 0.218 215 G C 1.516 176.437 174.900 0.035 0.000 1.154 215 G CA 1.170 46.288 45.100 0.030 0.000 0.767 215 G HN 0.488 nan 8.290 nan 0.000 0.552 216 I N 0.497 121.090 120.570 0.038 0.000 2.179 216 I HA -0.157 4.016 4.170 0.006 0.000 0.242 216 I C 2.778 178.916 176.117 0.036 0.000 1.088 216 I CA 1.324 62.648 61.300 0.041 0.000 1.357 216 I CB -0.303 37.719 38.000 0.035 0.000 1.051 216 I HN 0.248 nan 8.210 nan 0.000 0.409 217 E N 0.593 120.811 120.200 0.029 0.000 2.097 217 E HA -0.261 4.093 4.350 0.006 0.000 0.196 217 E C 2.343 178.959 176.600 0.027 0.000 1.000 217 E CA 1.274 57.689 56.400 0.025 0.000 0.804 217 E CB -0.114 29.598 29.700 0.020 0.000 0.740 217 E HN 0.410 nan 8.360 nan 0.000 0.454 218 R N 0.195 120.711 120.500 0.026 0.000 2.081 218 R HA -0.118 4.225 4.340 0.006 0.000 0.235 218 R C 2.423 178.743 176.300 0.034 0.000 1.131 218 R CA 1.186 57.301 56.100 0.024 0.000 0.960 218 R CB -0.290 30.020 30.300 0.017 0.000 0.856 218 R HN 0.054 nan 8.270 nan 0.000 0.436 219 V N 0.955 120.897 119.914 0.047 0.000 2.358 219 V HA -0.222 3.901 4.120 0.006 0.000 0.246 219 V C 2.258 178.394 176.094 0.071 0.000 1.047 219 V CA 1.668 64.014 62.300 0.077 0.000 1.035 219 V CB -0.485 31.405 31.823 0.111 0.000 0.658 219 V HN 0.300 nan 8.190 nan 0.000 0.452 220 R N 0.482 121.013 120.500 0.052 0.000 2.105 220 R HA -0.143 4.200 4.340 0.006 0.000 0.239 220 R C 2.361 178.683 176.300 0.036 0.000 1.135 220 R CA 1.515 57.639 56.100 0.040 0.000 0.967 220 R CB -0.652 29.665 30.300 0.029 0.000 0.861 220 R HN 0.531 nan 8.270 nan 0.000 0.442 221 A N 0.910 123.750 122.820 0.034 0.000 2.067 221 A HA -0.138 4.185 4.320 0.006 0.000 0.219 221 A C 2.185 179.790 177.584 0.035 0.000 1.158 221 A CA 1.802 53.856 52.037 0.029 0.000 0.661 221 A CB -0.612 18.402 19.000 0.024 0.000 0.801 221 A HN 0.510 nan 8.150 nan 0.000 0.452 222 T N -2.364 112.218 114.554 0.046 0.000 3.067 222 T HA 0.105 4.458 4.350 0.006 0.000 0.261 222 T C 1.709 176.445 174.700 0.060 0.000 1.110 222 T CA 0.807 62.940 62.100 0.056 0.000 1.113 222 T CB -0.493 68.417 68.868 0.071 0.000 0.917 222 T HN 0.317 nan 8.240 nan 0.000 0.499 223 L N 0.937 122.191 121.223 0.052 0.000 2.079 223 L HA 0.018 4.362 4.340 0.006 0.000 0.210 223 L C -0.364 176.529 176.870 0.038 0.000 1.081 223 L CA 1.282 56.148 54.840 0.045 0.000 0.752 223 L CB -1.674 40.403 42.059 0.030 0.000 0.896 223 L HN 0.242 nan 8.230 nan 0.000 0.433 224 P HA -0.140 nan 4.420 nan 0.000 0.219 224 P C 1.376 178.695 177.300 0.031 0.000 1.146 224 P CA 1.440 64.555 63.100 0.025 0.000 0.808 224 P CB 0.055 31.767 31.700 0.020 0.000 0.779 225 R N -2.141 118.386 120.500 0.045 0.000 2.225 225 R HA 0.165 4.509 4.340 0.006 0.000 0.194 225 R C 1.961 178.321 176.300 0.101 0.000 0.957 225 R CA -0.071 56.062 56.100 0.055 0.000 1.042 225 R CB -0.813 29.518 30.300 0.052 0.000 1.004 225 R HN 0.083 nan 8.270 nan 0.000 0.509 226 L N 0.472 121.764 121.223 0.114 0.000 2.083 226 L HA 0.028 4.371 4.340 0.006 0.000 0.209 226 L C 1.857 178.855 176.870 0.214 0.000 1.083 226 L CA 1.926 56.869 54.840 0.172 0.000 0.752 226 L CB -0.689 41.438 42.059 0.113 0.000 0.899 226 L HN 0.191 nan 8.230 nan 0.000 0.433 227 G N -1.216 107.647 108.800 0.104 0.000 2.679 227 G HA2 -0.098 3.865 3.960 0.006 0.000 0.212 227 G HA3 -0.098 3.865 3.960 0.006 0.000 0.212 227 G C 0.458 175.376 174.900 0.031 0.000 1.137 227 G CA -0.211 44.927 45.100 0.064 0.000 0.787 227 G HN 0.469 nan 8.290 nan 0.000 0.534 228 E N 0.169 120.376 120.200 0.011 0.000 2.376 228 E HA 0.344 4.698 4.350 0.006 0.000 0.266 228 E C -0.380 176.121 176.600 -0.165 0.000 1.009 228 E CA 0.045 56.404 56.400 -0.068 0.000 0.902 228 E CB 1.097 30.751 29.700 -0.076 0.000 0.972 228 E HN 0.153 nan 8.360 nan 0.000 0.439 229 L N 1.586 122.731 121.223 -0.129 0.000 2.346 229 L HA 0.400 4.743 4.340 0.006 0.000 0.274 229 L C 0.797 177.591 176.870 -0.127 0.000 1.007 229 L CA -0.659 54.098 54.840 -0.138 0.000 0.818 229 L CB 1.670 43.682 42.059 -0.078 0.000 1.284 229 L HN 0.619 nan 8.230 nan 0.000 0.424 230 A N 2.563 125.309 122.820 -0.124 0.000 2.169 230 A HA 0.081 4.404 4.320 0.006 0.000 0.212 230 A C 0.783 178.339 177.584 -0.047 0.000 1.153 230 A CA 0.051 52.034 52.037 -0.090 0.000 0.756 230 A CB -0.184 18.771 19.000 -0.074 0.000 0.813 230 A HN 0.567 nan 8.150 nan 0.000 0.471 231 I N 0.346 120.897 120.570 -0.030 0.000 2.826 231 I HA 0.301 4.475 4.170 0.006 0.000 0.295 231 I C 1.390 177.535 176.117 0.048 0.000 1.213 231 I CA 1.570 62.880 61.300 0.018 0.000 1.436 231 I CB 0.207 38.200 38.000 -0.011 0.000 1.348 231 I HN 0.556 nan 8.210 nan 0.000 0.570 232 G N 4.433 113.326 108.800 0.154 0.000 2.232 232 G HA2 -0.220 3.743 3.960 0.006 0.000 0.226 232 G HA3 -0.220 3.743 3.960 0.006 0.000 0.226 232 G C 1.040 175.975 174.900 0.059 0.000 0.996 232 G CA 0.221 45.437 45.100 0.193 0.000 0.626 232 G HN 1.216 nan 8.290 nan 0.000 0.509 233 G N 0.555 109.349 108.800 -0.010 0.000 2.650 233 G HA2 0.413 4.377 3.960 0.006 0.000 0.214 233 G HA3 0.413 4.377 3.960 0.006 0.000 0.214 233 G C 1.437 176.300 174.900 -0.063 0.000 1.136 233 G CA 2.510 47.554 45.100 -0.094 0.000 0.789 233 G HN 2.194 nan 8.290 nan 0.000 0.536 234 T N -1.563 112.985 114.554 -0.010 0.000 10.310 234 T HA -0.384 3.970 4.350 0.006 0.000 0.612 234 T C 1.887 176.588 174.700 0.002 0.000 1.249 234 T CA 2.014 64.112 62.100 -0.002 0.000 3.258 234 T CB -1.362 67.495 68.868 -0.019 0.000 2.548 234 T HN 1.285 nan 8.240 nan 0.000 0.326 235 A N 0.966 123.791 122.820 0.009 0.000 1.902 235 A HA 0.267 4.591 4.320 0.006 0.000 0.217 235 A C 2.683 180.290 177.584 0.038 0.000 1.181 235 A CA 3.682 55.734 52.037 0.025 0.000 0.623 235 A CB -0.827 18.189 19.000 0.026 0.000 0.818 235 A HN 2.070 nan 8.150 nan 0.000 0.443 236 V N -5.813 114.127 119.914 0.043 0.000 3.432 236 V HA 0.626 4.749 4.120 0.006 0.000 0.298 236 V C 1.123 177.253 176.094 0.060 0.000 1.464 236 V CA 0.699 63.054 62.300 0.091 0.000 1.046 236 V CB -0.370 31.538 31.823 0.141 0.000 0.887 236 V HN 1.502 nan 8.190 nan 0.000 0.441 237 G N 1.391 110.118 108.800 -0.122 0.000 2.201 237 G HA2 -0.294 3.669 3.960 0.006 0.000 0.212 237 G HA3 -0.294 3.669 3.960 0.006 0.000 0.212 237 G C 0.953 175.485 174.900 -0.613 0.000 0.994 237 G CA 0.928 45.713 45.100 -0.525 0.000 0.644 237 G HN 1.072 nan 8.290 nan 0.000 0.508 238 T N -1.445 113.015 114.554 -0.156 0.000 3.067 238 T HA 0.401 4.754 4.350 0.006 0.000 0.261 238 T C 2.506 177.199 174.700 -0.011 0.000 1.110 238 T CA 1.781 63.895 62.100 0.023 0.000 1.113 238 T CB 0.101 69.063 68.868 0.157 0.000 0.917 238 T HN 2.209 nan 8.240 nan 0.000 0.499 239 G N 0.985 109.759 108.800 -0.043 0.000 2.162 239 G HA2 -0.231 3.732 3.960 0.006 0.000 0.260 239 G HA3 -0.231 3.732 3.960 0.006 0.000 0.260 239 G C -0.045 174.849 174.900 -0.010 0.000 0.976 239 G CA 0.112 45.201 45.100 -0.018 0.000 0.655 239 G HN 0.767 nan 8.290 nan 0.000 0.533 240 L N 0.693 121.916 121.223 0.001 0.000 2.540 240 L HA 0.383 4.726 4.340 0.006 0.000 0.276 240 L C 1.099 177.952 176.870 -0.028 0.000 1.212 240 L CA 1.440 56.279 54.840 -0.002 0.000 0.893 240 L CB -0.060 42.007 42.059 0.013 0.000 1.138 240 L HN 0.394 nan 8.230 nan 0.000 0.491 241 N N 1.455 120.131 118.700 -0.040 0.000 2.850 241 N HA -0.186 4.557 4.740 0.006 0.000 0.249 241 N C -0.466 174.968 175.510 -0.126 0.000 1.060 241 N CA 1.159 54.168 53.050 -0.068 0.000 0.825 241 N CB -1.602 36.851 38.487 -0.057 0.000 1.132 241 N HN 0.800 nan 8.380 nan 0.000 0.564 242 A N 0.106 122.847 122.820 -0.131 0.000 2.374 242 A HA 0.784 5.108 4.320 0.006 0.000 0.317 242 A C -2.210 175.299 177.584 -0.125 0.000 1.094 242 A CA -1.219 50.676 52.037 -0.236 0.000 0.765 242 A CB 1.635 20.491 19.000 -0.240 0.000 1.268 242 A HN -0.051 nan 8.150 nan 0.000 0.438 243 P HA 0.146 nan 4.420 nan 0.000 0.270 243 P C -0.627 176.713 177.300 0.067 0.000 1.223 243 P CA -0.144 62.954 63.100 -0.005 0.000 0.785 243 P CB 0.417 32.138 31.700 0.034 0.000 0.923 244 E N 0.478 120.712 120.200 0.056 0.000 2.415 244 E HA 0.193 4.547 4.350 0.006 0.000 0.263 244 E C 1.473 178.125 176.600 0.086 0.000 0.995 244 E CA 0.939 57.375 56.400 0.061 0.000 0.915 244 E CB -0.410 29.315 29.700 0.040 0.000 0.951 244 E HN 0.810 nan 8.360 nan 0.000 0.449 245 G N 3.111 111.961 108.800 0.082 0.000 2.155 245 G HA2 -0.380 3.583 3.960 0.006 0.000 0.257 245 G HA3 -0.380 3.583 3.960 0.006 0.000 0.257 245 G C 0.678 175.635 174.900 0.096 0.000 0.983 245 G CA 0.459 45.600 45.100 0.069 0.000 0.676 245 G HN 0.538 nan 8.290 nan 0.000 0.528 246 F N 1.635 121.579 119.950 -0.010 0.000 2.065 246 F HA -0.023 4.508 4.527 0.006 0.000 0.298 246 F C 2.489 178.282 175.800 -0.013 0.000 1.112 246 F CA 3.079 61.073 58.000 -0.009 0.000 1.212 246 F CB -0.708 38.287 39.000 -0.009 0.000 0.975 246 F HN 0.173 nan 8.300 nan 0.000 0.476 247 G N -0.196 108.608 108.800 0.006 0.000 2.459 247 G HA2 -0.255 3.708 3.960 0.006 0.000 0.217 247 G HA3 -0.255 3.708 3.960 0.006 0.000 0.217 247 G C 1.827 176.648 174.900 -0.131 0.000 1.183 247 G CA 1.395 46.441 45.100 -0.090 0.000 0.776 247 G HN 0.353 nan 8.290 nan 0.000 0.552 248 V N 0.799 120.667 119.914 -0.075 0.000 2.332 248 V HA -0.227 3.896 4.120 0.006 0.000 0.248 248 V C 2.848 178.882 176.094 -0.100 0.000 1.055 248 V CA 2.501 64.760 62.300 -0.069 0.000 1.038 248 V CB -0.450 31.352 31.823 -0.034 0.000 0.651 248 V HN 0.385 nan 8.190 nan 0.000 0.450 249 K N -0.555 119.768 120.400 -0.127 0.000 2.057 249 K HA -0.106 4.218 4.320 0.006 0.000 0.206 249 K C 2.036 178.512 176.600 -0.207 0.000 1.050 249 K CA 1.281 57.482 56.287 -0.143 0.000 0.935 249 K CB -0.395 32.031 32.500 -0.123 0.000 0.715 249 K HN 0.311 nan 8.250 nan 0.000 0.439 250 V N 0.927 120.634 119.914 -0.346 0.000 2.295 250 V HA -0.228 3.896 4.120 0.006 0.000 0.246 250 V C 2.210 178.190 176.094 -0.189 0.000 1.049 250 V CA 1.506 63.604 62.300 -0.336 0.000 1.024 250 V CB -0.300 31.214 31.823 -0.515 0.000 0.648 250 V HN 0.097 nan 8.190 nan 0.000 0.447 251 V N -0.397 119.423 119.914 -0.158 0.000 2.343 251 V HA -0.272 3.851 4.120 0.006 0.000 0.247 251 V C 2.683 178.728 176.094 -0.082 0.000 1.051 251 V CA 2.339 64.577 62.300 -0.102 0.000 1.036 251 V CB -0.689 31.085 31.823 -0.083 0.000 0.654 251 V HN 0.631 nan 8.190 nan 0.000 0.451 252 S N -0.280 115.371 115.700 -0.082 0.000 2.365 252 S HA -0.201 4.273 4.470 0.006 0.000 0.225 252 S C 1.989 176.554 174.600 -0.059 0.000 1.039 252 S CA 2.112 60.275 58.200 -0.062 0.000 1.033 252 S CB -0.262 62.903 63.200 -0.057 0.000 0.887 252 S HN 0.348 nan 8.310 nan 0.000 0.447 253 V N 1.989 121.860 119.914 -0.072 0.000 2.343 253 V HA -0.147 3.976 4.120 0.006 0.000 0.247 253 V C 2.425 178.487 176.094 -0.053 0.000 1.051 253 V CA 1.874 64.138 62.300 -0.060 0.000 1.036 253 V CB -0.735 31.047 31.823 -0.068 0.000 0.654 253 V HN 0.466 nan 8.190 nan 0.000 0.451 254 L N -0.550 120.636 121.223 -0.063 0.000 2.046 254 L HA -0.153 4.190 4.340 0.006 0.000 0.208 254 L C 2.480 179.324 176.870 -0.044 0.000 1.077 254 L CA 1.116 55.924 54.840 -0.053 0.000 0.747 254 L CB -0.605 41.418 42.059 -0.059 0.000 0.896 254 L HN 0.189 nan 8.230 nan 0.000 0.432 255 V N -1.096 118.792 119.914 -0.044 0.000 2.295 255 V HA -0.314 3.809 4.120 0.006 0.000 0.246 255 V C 2.693 178.768 176.094 -0.033 0.000 1.049 255 V CA 2.067 64.345 62.300 -0.037 0.000 1.024 255 V CB -0.358 31.444 31.823 -0.036 0.000 0.648 255 V HN 0.479 nan 8.190 nan 0.000 0.447 256 S N -0.937 114.743 115.700 -0.032 0.000 2.368 256 S HA -0.268 4.205 4.470 0.006 0.000 0.225 256 S C 2.018 176.603 174.600 -0.025 0.000 1.030 256 S CA 1.937 60.121 58.200 -0.027 0.000 0.999 256 S CB -0.187 62.998 63.200 -0.026 0.000 0.844 256 S HN 0.708 nan 8.310 nan 0.000 0.459 257 Q N -0.332 119.452 119.800 -0.026 0.000 2.187 257 Q HA -0.035 4.309 4.340 0.006 0.000 0.199 257 Q C 2.278 178.263 176.000 -0.024 0.000 0.957 257 Q CA 1.649 57.439 55.803 -0.023 0.000 0.857 257 Q CB -0.184 28.541 28.738 -0.022 0.000 0.929 257 Q HN 0.840 nan 8.270 nan 0.000 0.453 258 T N -3.964 110.572 114.554 -0.029 0.000 3.051 258 T HA 0.200 4.554 4.350 0.006 0.000 0.255 258 T C 1.437 176.117 174.700 -0.033 0.000 1.085 258 T CA 0.487 62.568 62.100 -0.031 0.000 1.109 258 T CB 0.333 69.179 68.868 -0.036 0.000 0.921 258 T HN 0.377 nan 8.240 nan 0.000 0.488 259 G N 1.664 110.446 108.800 -0.031 0.000 2.225 259 G HA2 -0.220 3.743 3.960 0.006 0.000 0.267 259 G HA3 -0.220 3.743 3.960 0.006 0.000 0.267 259 G C -0.051 174.829 174.900 -0.034 0.000 1.024 259 G CA 0.360 45.442 45.100 -0.031 0.000 0.784 259 G HN 0.641 nan 8.290 nan 0.000 0.507 260 L N 0.865 122.067 121.223 -0.035 0.000 2.321 260 L HA 0.301 4.645 4.340 0.006 0.000 0.272 260 L C -0.765 176.087 176.870 -0.030 0.000 1.050 260 L CA -2.015 52.803 54.840 -0.036 0.000 0.893 260 L CB 1.422 43.456 42.059 -0.041 0.000 1.272 260 L HN -0.053 nan 8.230 nan 0.000 0.435 261 P HA -0.121 nan 4.420 nan 0.000 0.234 261 P C 0.791 178.079 177.300 -0.019 0.000 1.167 261 P CA 0.690 63.777 63.100 -0.022 0.000 0.763 261 P CB 0.447 32.135 31.700 -0.019 0.000 0.835 262 Q N -0.167 119.622 119.800 -0.019 0.000 2.291 262 Q HA 0.013 4.357 4.340 0.006 0.000 0.205 262 Q C 0.982 176.975 176.000 -0.011 0.000 0.970 262 Q CA 0.569 56.365 55.803 -0.012 0.000 0.876 262 Q CB -0.745 27.986 28.738 -0.011 0.000 0.935 262 Q HN 0.337 nan 8.270 nan 0.000 0.455 263 L N 2.463 123.675 121.223 -0.019 0.000 2.410 263 L HA 0.220 4.564 4.340 0.006 0.000 0.273 263 L C 0.252 177.106 176.870 -0.026 0.000 1.152 263 L CA -0.026 54.802 54.840 -0.021 0.000 0.855 263 L CB 0.248 42.289 42.059 -0.030 0.000 1.129 263 L HN 0.220 nan 8.230 nan 0.000 0.463 264 R N 0.682 121.166 120.500 -0.027 0.000 2.764 264 R HA 0.484 4.828 4.340 0.006 0.000 0.270 264 R C -0.752 175.523 176.300 -0.042 0.000 1.014 264 R CA -0.873 55.208 56.100 -0.031 0.000 0.904 264 R CB 1.314 31.601 30.300 -0.021 0.000 1.236 264 R HN 0.337 nan 8.270 nan 0.000 0.466 265 T N 0.285 114.813 114.554 -0.042 0.000 2.898 265 T HA 0.393 4.746 4.350 0.006 0.000 0.301 265 T C 0.369 175.041 174.700 -0.046 0.000 1.049 265 T CA 0.136 62.206 62.100 -0.049 0.000 1.095 265 T CB 0.387 69.229 68.868 -0.043 0.000 0.976 265 T HN 0.666 nan 8.240 nan 0.000 0.539 266 A N 3.179 125.964 122.820 -0.059 0.000 2.498 266 A HA 0.545 4.868 4.320 0.006 0.000 0.239 266 A C 1.760 179.326 177.584 -0.031 0.000 1.068 266 A CA 0.169 52.172 52.037 -0.056 0.000 0.766 266 A CB -0.392 18.561 19.000 -0.078 0.000 1.003 266 A HN 1.241 nan 8.150 nan 0.000 0.497 267 A N 2.157 124.967 122.820 -0.016 0.000 1.917 267 A HA -0.113 4.211 4.320 0.006 0.000 0.219 267 A C 1.158 178.751 177.584 0.015 0.000 1.182 267 A CA 1.848 53.886 52.037 0.002 0.000 0.633 267 A CB -0.271 18.734 19.000 0.009 0.000 0.819 267 A HN 0.873 nan 8.150 nan 0.000 0.448 268 N N -1.159 117.550 118.700 0.016 0.000 2.430 268 N HA 0.163 4.906 4.740 0.006 0.000 0.290 268 N C 0.631 176.141 175.510 0.001 0.000 1.063 268 N CA 0.565 53.647 53.050 0.053 0.000 0.883 268 N CB 1.861 40.407 38.487 0.098 0.000 1.465 268 N HN 0.179 nan 8.380 nan 0.000 0.493 269 S N 2.899 118.549 115.700 -0.084 0.000 2.423 269 S HA -0.055 4.418 4.470 0.006 0.000 0.231 269 S C 1.427 175.781 174.600 -0.410 0.000 1.014 269 S CA 0.684 58.710 58.200 -0.289 0.000 0.965 269 S CB -0.419 62.522 63.200 -0.432 0.000 0.785 269 S HN 0.502 nan 8.310 nan 0.000 0.495 270 F N 2.151 122.110 119.950 0.016 0.000 2.149 270 F HA 0.158 4.688 4.527 0.005 0.000 0.294 270 F C 2.889 178.699 175.800 0.017 0.000 1.095 270 F CA 1.030 59.044 58.000 0.023 0.000 1.276 270 F CB -0.613 38.403 39.000 0.026 0.000 1.023 270 F HN 0.179 nan 8.300 nan 0.000 0.480 271 E N 1.221 121.523 120.200 0.170 0.000 2.171 271 E HA -0.233 4.120 4.350 0.006 0.000 0.197 271 E C 2.120 178.743 176.600 0.037 0.000 0.997 271 E CA 1.301 57.754 56.400 0.089 0.000 0.810 271 E CB -0.221 29.520 29.700 0.068 0.000 0.738 271 E HN 0.340 nan 8.360 nan 0.000 0.467 272 A N 0.021 122.837 122.820 -0.006 0.000 2.167 272 A HA -0.074 4.250 4.320 0.006 0.000 0.214 272 A C 1.890 179.452 177.584 -0.037 0.000 1.151 272 A CA 0.870 52.874 52.037 -0.056 0.000 0.735 272 A CB -0.012 18.928 19.000 -0.101 0.000 0.802 272 A HN 0.285 nan 8.150 nan 0.000 0.467 273 Q N -1.822 117.976 119.800 -0.002 0.000 2.477 273 Q HA 0.274 4.617 4.340 0.006 0.000 0.252 273 Q C 2.113 178.158 176.000 0.075 0.000 0.869 273 Q CA 0.556 56.377 55.803 0.030 0.000 0.969 273 Q CB 0.115 28.859 28.738 0.010 0.000 1.144 273 Q HN 0.533 nan 8.270 nan 0.000 0.577 274 A N 0.870 123.745 122.820 0.092 0.000 2.121 274 A HA 0.308 4.632 4.320 0.006 0.000 0.218 274 A C 0.907 178.538 177.584 0.078 0.000 1.154 274 A CA 1.161 53.259 52.037 0.101 0.000 0.679 274 A CB -0.006 19.062 19.000 0.114 0.000 0.795 274 A HN 0.295 nan 8.150 nan 0.000 0.458 275 A N -1.560 121.302 122.820 0.071 0.000 2.566 275 A HA 0.746 5.070 4.320 0.006 0.000 0.292 275 A C -0.098 177.537 177.584 0.084 0.000 1.112 275 A CA -0.720 51.355 52.037 0.065 0.000 0.707 275 A CB 0.904 19.929 19.000 0.042 0.000 1.302 275 A HN 0.049 nan 8.150 nan 0.000 0.409 276 R N 0.624 121.184 120.500 0.100 0.000 2.748 276 R HA 0.155 4.498 4.340 0.006 0.000 0.395 276 R C -0.690 175.686 176.300 0.126 0.000 1.128 276 R CA -0.218 55.974 56.100 0.153 0.000 1.042 276 R CB 0.401 30.802 30.300 0.169 0.000 1.392 276 R HN 0.741 nan 8.270 nan 0.000 0.582 277 D N 0.300 120.753 120.400 0.089 0.000 2.218 277 D HA -0.100 4.544 4.640 0.006 0.000 0.204 277 D C 1.836 178.186 176.300 0.084 0.000 0.976 277 D CA 1.395 55.433 54.000 0.064 0.000 0.853 277 D CB 0.080 40.904 40.800 0.040 0.000 0.939 277 D HN 0.411 nan 8.370 nan 0.000 0.481 278 G N 0.525 109.409 108.800 0.140 0.000 2.432 278 G HA2 -0.169 3.795 3.960 0.006 0.000 0.219 278 G HA3 -0.169 3.795 3.960 0.006 0.000 0.219 278 G C 1.711 176.684 174.900 0.120 0.000 1.135 278 G CA 0.189 45.389 45.100 0.167 0.000 0.767 278 G HN 0.265 nan 8.290 nan 0.000 0.550 279 L N 0.250 121.530 121.223 0.095 0.000 2.072 279 L HA -0.046 4.297 4.340 0.006 0.000 0.205 279 L C 2.957 179.839 176.870 0.019 0.000 1.079 279 L CA 0.388 55.233 54.840 0.008 0.000 0.752 279 L CB -0.614 41.435 42.059 -0.016 0.000 0.906 279 L HN 0.070 nan 8.230 nan 0.000 0.436 280 V N 0.265 120.199 119.914 0.032 0.000 2.287 280 V HA -0.314 3.810 4.120 0.006 0.000 0.248 280 V C 2.520 178.619 176.094 0.008 0.000 1.053 280 V CA 2.139 64.448 62.300 0.016 0.000 1.027 280 V CB -0.560 31.272 31.823 0.016 0.000 0.646 280 V HN 0.533 nan 8.190 nan 0.000 0.447 281 E N 0.494 120.707 120.200 0.022 0.000 2.038 281 E HA -0.254 4.099 4.350 0.006 0.000 0.195 281 E C 2.229 178.836 176.600 0.011 0.000 1.000 281 E CA 1.596 58.008 56.400 0.020 0.000 0.803 281 E CB -0.274 29.447 29.700 0.035 0.000 0.750 281 E HN 0.539 nan 8.360 nan 0.000 0.448 282 A N 0.561 123.395 122.820 0.024 0.000 1.902 282 A HA -0.176 4.147 4.320 0.006 0.000 0.217 282 A C 2.360 179.896 177.584 -0.079 0.000 1.181 282 A CA 1.834 53.882 52.037 0.019 0.000 0.623 282 A CB -0.879 18.185 19.000 0.107 0.000 0.818 282 A HN 0.363 nan 8.150 nan 0.000 0.443 283 S N -0.502 115.145 115.700 -0.088 0.000 2.383 283 S HA -0.073 4.400 4.470 0.006 0.000 0.229 283 S C 2.027 176.566 174.600 -0.101 0.000 1.030 283 S CA 1.773 59.893 58.200 -0.133 0.000 1.002 283 S CB -0.693 62.458 63.200 -0.081 0.000 0.829 283 S HN 0.721 nan 8.310 nan 0.000 0.467 284 G N 0.687 109.454 108.800 -0.055 0.000 2.440 284 G HA2 -0.079 3.884 3.960 0.006 0.000 0.218 284 G HA3 -0.079 3.884 3.960 0.006 0.000 0.218 284 G C 1.668 176.541 174.900 -0.045 0.000 1.154 284 G CA 0.983 46.060 45.100 -0.039 0.000 0.767 284 G HN 0.692 nan 8.290 nan 0.000 0.552 285 A N 0.657 123.448 122.820 -0.047 0.000 1.902 285 A HA 0.077 4.401 4.320 0.006 0.000 0.217 285 A C 2.438 179.978 177.584 -0.073 0.000 1.181 285 A CA 1.319 53.331 52.037 -0.042 0.000 0.623 285 A CB -0.393 18.596 19.000 -0.017 0.000 0.818 285 A HN 0.360 nan 8.150 nan 0.000 0.443 286 L N -1.069 120.069 121.223 -0.142 0.000 2.083 286 L HA -0.164 4.180 4.340 0.006 0.000 0.209 286 L C 2.820 179.622 176.870 -0.115 0.000 1.083 286 L CA 1.407 56.138 54.840 -0.181 0.000 0.752 286 L CB -0.634 41.222 42.059 -0.338 0.000 0.899 286 L HN 0.402 nan 8.230 nan 0.000 0.433 287 R N 0.402 120.846 120.500 -0.094 0.000 2.081 287 R HA -0.134 4.210 4.340 0.006 0.000 0.235 287 R C 2.072 178.346 176.300 -0.043 0.000 1.131 287 R CA 2.091 58.154 56.100 -0.062 0.000 0.960 287 R CB -0.602 29.669 30.300 -0.048 0.000 0.856 287 R HN 0.286 nan 8.270 nan 0.000 0.436 288 T N 1.535 116.067 114.554 -0.036 0.000 2.746 288 T HA -0.069 4.284 4.350 0.006 0.000 0.267 288 T C 1.994 176.683 174.700 -0.017 0.000 1.039 288 T CA 1.475 63.563 62.100 -0.021 0.000 1.142 288 T CB -0.137 68.723 68.868 -0.013 0.000 0.866 288 T HN 0.212 nan 8.240 nan 0.000 0.444 289 I N 1.437 121.993 120.570 -0.023 0.000 2.208 289 I HA -0.204 3.969 4.170 0.006 0.000 0.245 289 I C 2.909 179.015 176.117 -0.018 0.000 1.097 289 I CA 1.104 62.397 61.300 -0.013 0.000 1.363 289 I CB -0.480 37.511 38.000 -0.015 0.000 1.051 289 I HN 0.195 nan 8.210 nan 0.000 0.413 290 A N 0.325 123.124 122.820 -0.036 0.000 1.908 290 A HA -0.165 4.158 4.320 0.006 0.000 0.218 290 A C 2.448 180.012 177.584 -0.033 0.000 1.181 290 A CA 1.828 53.841 52.037 -0.041 0.000 0.627 290 A CB -0.960 18.010 19.000 -0.050 0.000 0.818 290 A HN 0.250 nan 8.150 nan 0.000 0.445 291 V N -0.131 119.768 119.914 -0.025 0.000 2.343 291 V HA -0.220 3.903 4.120 0.006 0.000 0.247 291 V C 2.820 178.907 176.094 -0.012 0.000 1.051 291 V CA 2.335 64.625 62.300 -0.018 0.000 1.036 291 V CB -0.747 31.069 31.823 -0.013 0.000 0.654 291 V HN 0.585 nan 8.190 nan 0.000 0.451 292 S N 0.115 115.812 115.700 -0.004 0.000 2.356 292 S HA -0.139 4.335 4.470 0.006 0.000 0.223 292 S C 1.927 176.524 174.600 -0.005 0.000 1.032 292 S CA 1.525 59.729 58.200 0.006 0.000 1.005 292 S CB -0.424 62.789 63.200 0.022 0.000 0.867 292 S HN 0.454 nan 8.310 nan 0.000 0.449 293 L N 1.157 122.376 121.223 -0.005 0.000 2.079 293 L HA -0.160 4.183 4.340 0.006 0.000 0.210 293 L C 2.646 179.477 176.870 -0.064 0.000 1.081 293 L CA 1.196 56.027 54.840 -0.015 0.000 0.752 293 L CB -1.129 40.913 42.059 -0.028 0.000 0.896 293 L HN 0.341 nan 8.230 nan 0.000 0.433 294 T N -0.799 113.720 114.554 -0.058 0.000 2.746 294 T HA -0.214 4.139 4.350 0.006 0.000 0.267 294 T C 1.887 176.558 174.700 -0.049 0.000 1.039 294 T CA 1.563 63.627 62.100 -0.060 0.000 1.142 294 T CB -0.093 68.751 68.868 -0.039 0.000 0.866 294 T HN 0.124 nan 8.240 nan 0.000 0.444 295 K N 1.476 121.852 120.400 -0.040 0.000 2.026 295 K HA 0.022 4.345 4.320 0.006 0.000 0.208 295 K C 2.003 178.527 176.600 -0.126 0.000 1.048 295 K CA 1.397 57.660 56.287 -0.040 0.000 0.929 295 K CB -0.797 31.698 32.500 -0.009 0.000 0.713 295 K HN 0.366 nan 8.250 nan 0.000 0.439 296 I N 0.576 121.021 120.570 -0.209 0.000 2.142 296 I HA -0.257 3.916 4.170 0.006 0.000 0.240 296 I C 2.375 178.362 176.117 -0.217 0.000 1.078 296 I CA 1.377 62.393 61.300 -0.474 0.000 1.343 296 I CB -0.498 37.312 38.000 -0.316 0.000 1.046 296 I HN 0.289 nan 8.210 nan 0.000 0.405 297 A N 0.766 123.550 122.820 -0.061 0.000 1.902 297 A HA -0.209 4.114 4.320 0.006 0.000 0.217 297 A C 2.094 179.666 177.584 -0.019 0.000 1.181 297 A CA 1.893 53.899 52.037 -0.053 0.000 0.623 297 A CB -0.674 18.155 19.000 -0.286 0.000 0.818 297 A HN 0.402 nan 8.150 nan 0.000 0.443 298 N N 0.486 119.180 118.700 -0.009 0.000 2.084 298 N HA -0.135 4.609 4.740 0.006 0.000 0.190 298 N C 1.215 176.844 175.510 0.198 0.000 1.030 298 N CA 1.615 54.723 53.050 0.096 0.000 0.849 298 N CB -0.486 38.077 38.487 0.127 0.000 1.012 298 N HN 0.426 nan 8.380 nan 0.000 0.423 299 D N 0.657 121.122 120.400 0.109 0.000 2.104 299 D HA -0.062 4.581 4.640 0.006 0.000 0.194 299 D C 2.095 178.513 176.300 0.197 0.000 0.994 299 D CA 0.593 54.689 54.000 0.160 0.000 0.830 299 D CB -0.267 40.581 40.800 0.081 0.000 0.959 299 D HN 0.280 nan 8.370 nan 0.000 0.452 300 I N 0.878 121.522 120.570 0.123 0.000 2.252 300 I HA -0.246 3.927 4.170 0.006 0.000 0.245 300 I C 2.481 178.704 176.117 0.177 0.000 1.102 300 I CA 1.025 62.452 61.300 0.211 0.000 1.385 300 I CB -0.162 37.988 38.000 0.249 0.000 1.064 300 I HN 0.052 nan 8.210 nan 0.000 0.414 301 R N 0.075 120.632 120.500 0.094 0.000 2.092 301 R HA -0.159 4.185 4.340 0.006 0.000 0.231 301 R C 1.985 178.233 176.300 -0.087 0.000 1.119 301 R CA 1.201 57.286 56.100 -0.025 0.000 0.970 301 R CB -1.014 29.209 30.300 -0.127 0.000 0.864 301 R HN 0.296 nan 8.270 nan 0.000 0.440 302 W N 1.485 122.817 121.300 0.054 0.000 2.338 302 W HA 0.007 4.671 4.660 0.006 0.000 0.304 302 W C 2.426 178.985 176.519 0.068 0.000 1.212 302 W CA 1.044 58.420 57.345 0.052 0.000 1.264 302 W CB -0.097 29.390 29.460 0.044 0.000 1.142 302 W HN 0.005 nan 8.180 nan 0.000 0.512 303 M N -0.536 119.253 119.600 0.314 0.000 2.213 303 M HA -0.051 4.433 4.480 0.006 0.000 0.263 303 M C 2.131 178.535 176.300 0.173 0.000 1.062 303 M CA 1.729 57.172 55.300 0.239 0.000 1.105 303 M CB -0.905 31.846 32.600 0.252 0.000 1.385 303 M HN 0.140 nan 8.290 nan 0.000 0.417 304 G N 0.035 108.919 108.800 0.141 0.000 2.813 304 G HA2 -0.015 3.948 3.960 0.006 0.000 0.209 304 G HA3 -0.015 3.948 3.960 0.006 0.000 0.209 304 G C 0.598 175.525 174.900 0.044 0.000 1.150 304 G CA 0.131 45.285 45.100 0.089 0.000 0.785 304 G HN 0.521 nan 8.290 nan 0.000 0.535 305 S N -0.557 115.166 115.700 0.039 0.000 2.579 305 S HA 0.598 5.072 4.470 0.006 0.000 0.275 305 S C 0.896 175.514 174.600 0.030 0.000 1.345 305 S CA 0.477 58.664 58.200 -0.020 0.000 1.031 305 S CB 1.555 64.716 63.200 -0.065 0.000 0.892 305 S HN 1.526 nan 8.310 nan 0.000 0.529 306 G N 2.097 110.898 108.800 0.002 0.000 2.637 306 G HA2 -0.123 3.841 3.960 0.006 0.000 0.211 306 G HA3 -0.123 3.841 3.960 0.006 0.000 0.211 306 G C -1.864 173.041 174.900 0.007 0.000 1.213 306 G CA -0.098 45.015 45.100 0.022 0.000 1.207 306 G HN 0.707 nan 8.290 nan 0.000 0.559 307 P HA 0.158 nan 4.420 nan 0.000 0.218 307 P C 2.069 179.388 177.300 0.031 0.000 1.152 307 P CA 1.223 64.337 63.100 0.023 0.000 0.826 307 P CB 0.108 31.815 31.700 0.012 0.000 0.790 308 L N 0.602 121.840 121.223 0.026 0.000 2.162 308 L HA 0.014 4.357 4.340 0.006 0.000 0.205 308 L C 2.101 178.997 176.870 0.043 0.000 1.086 308 L CA 2.130 56.987 54.840 0.029 0.000 0.778 308 L CB -1.257 40.813 42.059 0.020 0.000 0.928 308 L HN 0.067 nan 8.230 nan 0.000 0.446 309 T N -3.809 110.773 114.554 0.047 0.000 3.086 309 T HA 0.404 4.757 4.350 0.006 0.000 0.250 309 T C 0.831 175.592 174.700 0.101 0.000 1.074 309 T CA 0.174 62.312 62.100 0.064 0.000 0.988 309 T CB -0.138 68.762 68.868 0.053 0.000 0.988 309 T HN 0.283 nan 8.240 nan 0.000 0.530 310 G N 0.475 109.338 108.800 0.105 0.000 3.217 310 G HA2 0.589 4.553 3.960 0.006 0.000 0.213 310 G HA3 0.589 4.553 3.960 0.006 0.000 0.213 310 G C 0.362 175.361 174.900 0.165 0.000 1.294 310 G CA -0.833 44.367 45.100 0.166 0.000 0.987 310 G HN 0.239 nan 8.290 nan 0.000 0.584 311 L N 0.257 121.603 121.223 0.204 0.000 2.307 311 L HA 0.254 4.598 4.340 0.006 0.000 0.211 311 L C 2.092 179.038 176.870 0.126 0.000 1.099 311 L CA 0.884 55.825 54.840 0.168 0.000 0.816 311 L CB -0.441 41.745 42.059 0.211 0.000 0.952 311 L HN 0.728 nan 8.230 nan 0.000 0.455 312 A N 0.848 123.736 122.820 0.114 0.000 2.596 312 A HA -0.250 4.074 4.320 0.006 0.000 0.300 312 A C 1.381 179.015 177.584 0.083 0.000 1.495 312 A CA 1.169 53.257 52.037 0.085 0.000 0.769 312 A CB -1.570 17.470 19.000 0.066 0.000 1.047 312 A HN 0.614 nan 8.150 nan 0.000 0.436 313 E N -0.950 119.301 120.200 0.085 0.000 2.166 313 E HA 0.195 4.549 4.350 0.006 0.000 0.192 313 E C 1.154 177.758 176.600 0.007 0.000 0.967 313 E CA 1.187 57.616 56.400 0.049 0.000 0.840 313 E CB 0.106 29.841 29.700 0.057 0.000 0.795 313 E HN 1.065 nan 8.360 nan 0.000 0.470 314 I N -3.718 116.884 120.570 0.054 0.000 3.145 314 I HA 0.572 4.746 4.170 0.006 0.000 0.313 314 I C -0.654 175.521 176.117 0.095 0.000 1.122 314 I CA -1.233 60.105 61.300 0.063 0.000 0.987 314 I CB 1.714 39.799 38.000 0.140 0.000 1.236 314 I HN -0.256 nan 8.210 nan 0.000 0.453 315 Q N 3.172 123.039 119.800 0.111 0.000 2.322 315 Q HA 0.679 5.023 4.340 0.006 0.000 0.265 315 Q C -1.381 174.689 176.000 0.116 0.000 0.985 315 Q CA -0.643 55.217 55.803 0.095 0.000 0.849 315 Q CB 1.709 30.488 28.738 0.070 0.000 1.274 315 Q HN 0.598 nan 8.270 nan 0.000 0.449 316 L N 3.051 124.334 121.223 0.100 0.000 2.395 316 L HA 0.490 4.834 4.340 0.006 0.000 0.269 316 L C -1.975 174.938 176.870 0.071 0.000 1.133 316 L CA -1.568 53.333 54.840 0.100 0.000 0.812 316 L CB 1.126 43.244 42.059 0.098 0.000 1.125 316 L HN 0.551 nan 8.230 nan 0.000 0.452 317 P HA -0.016 nan 4.420 nan 0.000 0.265 317 P C -0.905 176.420 177.300 0.041 0.000 1.193 317 P CA -0.176 62.951 63.100 0.046 0.000 0.765 317 P CB 0.324 32.048 31.700 0.041 0.000 0.823 318 D N 2.753 123.172 120.400 0.031 0.000 2.325 318 D HA 0.060 4.703 4.640 0.006 0.000 0.251 318 D C 0.679 176.992 176.300 0.022 0.000 1.196 318 D CA 0.118 54.132 54.000 0.024 0.000 0.866 318 D CB 0.418 41.229 40.800 0.018 0.000 1.101 318 D HN 0.271 nan 8.370 nan 0.000 0.476 319 L N 2.523 123.759 121.223 0.022 0.000 2.607 319 L HA 0.089 4.433 4.340 0.006 0.000 0.228 319 L C 0.475 177.353 176.870 0.013 0.000 1.123 319 L CA 0.323 55.174 54.840 0.020 0.000 0.890 319 L CB 0.185 42.259 42.059 0.024 0.000 1.103 319 L HN 0.236 nan 8.230 nan 0.000 0.468 320 Q N 0.073 119.879 119.800 0.010 0.000 2.506 320 Q HA 0.231 4.574 4.340 0.006 0.000 0.380 320 Q C -2.283 173.721 176.000 0.005 0.000 0.867 320 Q CA -1.232 54.574 55.803 0.006 0.000 1.093 320 Q CB 0.430 29.170 28.738 0.003 0.000 1.388 320 Q HN 0.048 nan 8.270 nan 0.000 0.400 321 P HA 0.336 nan 4.420 nan 0.000 0.271 321 P C -0.058 177.245 177.300 0.004 0.000 1.216 321 P CA 0.072 63.176 63.100 0.006 0.000 0.776 321 P CB 1.440 33.145 31.700 0.007 0.000 0.881 322 G N 0.663 109.465 108.800 0.003 0.000 2.574 322 G HA2 0.367 4.331 3.960 0.006 0.000 0.299 322 G HA3 0.367 4.331 3.960 0.006 0.000 0.299 322 G C -0.766 174.136 174.900 0.002 0.000 1.298 322 G CA -0.619 44.483 45.100 0.002 0.000 0.952 322 G HN 0.420 nan 8.290 nan 0.000 0.477 323 S N 0.074 115.775 115.700 0.002 0.000 2.673 323 S HA 0.378 4.851 4.470 0.006 0.000 0.308 323 S C 0.424 175.025 174.600 0.001 0.000 1.246 323 S CA 0.629 58.830 58.200 0.002 0.000 1.077 323 S CB 0.403 63.604 63.200 0.002 0.000 0.814 323 S HN 0.996 nan 8.310 nan 0.000 0.503 324 S N 2.507 118.208 115.700 0.002 0.000 2.548 324 S HA 0.384 4.857 4.470 0.006 0.000 0.278 324 S C 0.126 174.727 174.600 0.001 0.000 1.150 324 S CA -0.881 57.319 58.200 0.001 0.000 0.907 324 S CB 0.623 63.824 63.200 0.001 0.000 1.108 324 S HN 0.674 nan 8.310 nan 0.000 0.459 325 I N 1.026 121.597 120.570 0.001 0.000 3.956 325 I HA 0.435 4.609 4.170 0.006 0.000 0.333 325 I C 0.263 176.380 176.117 0.000 0.000 1.302 325 I CA -0.405 60.895 61.300 0.001 0.000 1.122 325 I CB 0.088 38.089 38.000 0.000 0.000 1.013 325 I HN 0.361 nan 8.210 nan 0.000 0.405 326 M N 2.214 121.814 119.600 0.000 0.000 2.247 326 M HA 0.443 4.926 4.480 0.006 0.000 0.326 326 M C -1.965 174.335 176.300 -0.000 0.000 1.134 326 M CA -1.571 53.729 55.300 -0.000 0.000 1.136 326 M CB -0.590 32.010 32.600 -0.000 0.000 1.454 326 M HN -0.114 nan 8.290 nan 0.000 0.467 327 P HA 0.130 nan 4.420 nan 0.000 0.268 327 P C -0.017 177.284 177.300 0.000 0.000 1.208 327 P CA -0.114 62.986 63.100 -0.001 0.000 0.777 327 P CB 0.182 31.881 31.700 -0.002 0.000 0.875 328 G N 1.280 110.081 108.800 0.002 0.000 2.483 328 G HA2 0.388 4.351 3.960 0.006 0.000 0.248 328 G HA3 0.388 4.351 3.960 0.006 0.000 0.248 328 G C -0.701 174.201 174.900 0.003 0.000 1.248 328 G CA -0.228 44.874 45.100 0.004 0.000 0.838 328 G HN 0.522 nan 8.290 nan 0.000 0.566 329 K N 1.573 121.974 120.400 0.002 0.000 2.731 329 K HA 0.362 4.686 4.320 0.006 0.000 0.257 329 K C -1.275 175.325 176.600 -0.001 0.000 1.032 329 K CA -0.507 55.780 56.287 -0.000 0.000 0.983 329 K CB 1.665 34.163 32.500 -0.004 0.000 1.248 329 K HN 0.311 nan 8.250 nan 0.000 0.484 330 V N 3.660 123.575 119.914 0.002 0.000 2.407 330 V HA 0.275 4.399 4.120 0.006 0.000 0.278 330 V C 0.028 176.118 176.094 -0.006 0.000 1.037 330 V CA -0.956 61.346 62.300 0.004 0.000 0.900 330 V CB 1.338 33.170 31.823 0.016 0.000 0.983 330 V HN 0.670 nan 8.190 nan 0.000 0.459 331 N N 6.328 125.021 118.700 -0.011 0.000 2.520 331 N HA 0.276 5.020 4.740 0.006 0.000 0.273 331 N C -2.203 173.296 175.510 -0.019 0.000 1.155 331 N CA -1.529 51.505 53.050 -0.025 0.000 0.967 331 N CB 1.216 39.686 38.487 -0.028 0.000 1.092 331 N HN 0.427 nan 8.380 nan 0.000 0.457 332 P HA 0.033 nan 4.420 nan 0.000 0.225 332 P C 1.056 178.340 177.300 -0.027 0.000 1.813 332 P CA -0.189 62.900 63.100 -0.018 0.000 1.013 332 P CB -0.110 31.563 31.700 -0.045 0.000 1.961 333 V N 0.072 119.978 119.914 -0.014 0.000 2.515 333 V HA -0.183 3.940 4.120 0.006 0.000 0.250 333 V C 2.046 178.120 176.094 -0.032 0.000 1.058 333 V CA 1.050 63.336 62.300 -0.024 0.000 1.064 333 V CB -1.317 30.498 31.823 -0.013 0.000 0.675 333 V HN 0.120 nan 8.190 nan 0.000 0.461 334 L N -0.187 121.034 121.223 -0.003 0.000 2.072 334 L HA 0.033 4.376 4.340 0.006 0.000 0.205 334 L C 0.250 177.020 176.870 -0.167 0.000 1.079 334 L CA 1.521 56.347 54.840 -0.023 0.000 0.752 334 L CB -1.580 40.544 42.059 0.109 0.000 0.906 334 L HN 0.338 nan 8.230 nan 0.000 0.436 335 P HA -0.167 nan 4.420 nan 0.000 0.218 335 P C 1.198 178.373 177.300 -0.209 0.000 1.148 335 P CA 1.266 64.217 63.100 -0.248 0.000 0.822 335 P CB 0.079 31.723 31.700 -0.093 0.000 0.784 336 E N -0.482 119.636 120.200 -0.136 0.000 2.072 336 E HA -0.134 4.219 4.350 0.006 0.000 0.191 336 E C 2.104 178.633 176.600 -0.117 0.000 0.985 336 E CA 1.171 57.504 56.400 -0.113 0.000 0.801 336 E CB -0.548 29.103 29.700 -0.082 0.000 0.750 336 E HN 0.139 nan 8.360 nan 0.000 0.452 337 A N 0.955 123.704 122.820 -0.119 0.000 1.902 337 A HA -0.156 4.167 4.320 0.006 0.000 0.217 337 A C 2.508 180.002 177.584 -0.150 0.000 1.181 337 A CA 1.230 53.201 52.037 -0.109 0.000 0.623 337 A CB -0.716 18.235 19.000 -0.082 0.000 0.818 337 A HN 0.114 nan 8.150 nan 0.000 0.443 338 V N 0.691 120.455 119.914 -0.250 0.000 2.295 338 V HA -0.266 3.858 4.120 0.006 0.000 0.246 338 V C 3.022 178.988 176.094 -0.213 0.000 1.049 338 V CA 2.569 64.683 62.300 -0.310 0.000 1.024 338 V CB -1.507 29.930 31.823 -0.643 0.000 0.648 338 V HN 0.840 nan 8.190 nan 0.000 0.447 339 T N -2.020 112.417 114.554 -0.195 0.000 2.867 339 T HA -0.248 4.105 4.350 0.006 0.000 0.268 339 T C 1.772 176.417 174.700 -0.092 0.000 1.057 339 T CA 1.531 63.554 62.100 -0.128 0.000 1.136 339 T CB -0.323 68.482 68.868 -0.104 0.000 0.874 339 T HN 0.532 nan 8.240 nan 0.000 0.466 340 Q N 0.450 120.196 119.800 -0.089 0.000 2.083 340 Q HA 0.013 4.356 4.340 0.006 0.000 0.198 340 Q C 2.654 178.617 176.000 -0.062 0.000 0.969 340 Q CA 1.184 56.948 55.803 -0.065 0.000 0.838 340 Q CB -0.402 28.301 28.738 -0.059 0.000 0.900 340 Q HN 0.404 nan 8.270 nan 0.000 0.436 341 V N 1.185 121.056 119.914 -0.072 0.000 2.282 341 V HA -0.338 3.786 4.120 0.006 0.000 0.249 341 V C 2.290 178.348 176.094 -0.061 0.000 1.057 341 V CA 1.985 64.248 62.300 -0.062 0.000 1.032 341 V CB -1.000 30.783 31.823 -0.067 0.000 0.645 341 V HN 0.428 nan 8.190 nan 0.000 0.447 342 A N -0.132 122.645 122.820 -0.071 0.000 1.908 342 A HA -0.164 4.159 4.320 0.006 0.000 0.218 342 A C 2.453 180.007 177.584 -0.050 0.000 1.181 342 A CA 2.233 54.233 52.037 -0.062 0.000 0.627 342 A CB -0.890 18.069 19.000 -0.067 0.000 0.818 342 A HN 0.612 nan 8.150 nan 0.000 0.445 343 A N -1.050 121.742 122.820 -0.047 0.000 1.917 343 A HA -0.255 4.068 4.320 0.006 0.000 0.219 343 A C 2.155 179.718 177.584 -0.035 0.000 1.182 343 A CA 2.286 54.300 52.037 -0.037 0.000 0.633 343 A CB -0.528 18.451 19.000 -0.035 0.000 0.819 343 A HN 0.556 nan 8.150 nan 0.000 0.448 344 Q N -0.348 119.429 119.800 -0.037 0.000 2.079 344 Q HA -0.071 4.272 4.340 0.006 0.000 0.200 344 Q C 1.880 177.859 176.000 -0.036 0.000 0.974 344 Q CA 1.934 57.717 55.803 -0.033 0.000 0.840 344 Q CB -0.494 28.225 28.738 -0.031 0.000 0.898 344 Q HN 0.348 nan 8.270 nan 0.000 0.430 345 V N 0.199 120.085 119.914 -0.046 0.000 2.427 345 V HA -0.230 3.893 4.120 0.006 0.000 0.248 345 V C 2.127 178.191 176.094 -0.051 0.000 1.051 345 V CA 1.627 63.891 62.300 -0.059 0.000 1.048 345 V CB -0.461 31.318 31.823 -0.073 0.000 0.666 345 V HN 0.358 nan 8.190 nan 0.000 0.456 346 I N 0.709 121.255 120.570 -0.041 0.000 2.226 346 I HA -0.168 4.005 4.170 0.006 0.000 0.245 346 I C 2.550 178.654 176.117 -0.022 0.000 1.100 346 I CA 1.804 63.086 61.300 -0.031 0.000 1.374 346 I CB -0.826 37.159 38.000 -0.026 0.000 1.057 346 I HN 0.371 nan 8.210 nan 0.000 0.413 347 G N 0.475 109.260 108.800 -0.023 0.000 2.433 347 G HA2 -0.252 3.711 3.960 0.006 0.000 0.216 347 G HA3 -0.252 3.711 3.960 0.006 0.000 0.216 347 G C 1.436 176.327 174.900 -0.015 0.000 1.186 347 G CA 0.787 45.875 45.100 -0.020 0.000 0.779 347 G HN 0.286 nan 8.290 nan 0.000 0.543 348 N N 0.841 119.530 118.700 -0.018 0.000 2.137 348 N HA -0.106 4.637 4.740 0.006 0.000 0.190 348 N C 1.781 177.285 175.510 -0.009 0.000 1.017 348 N CA 1.519 54.562 53.050 -0.012 0.000 0.859 348 N CB -0.417 38.055 38.487 -0.025 0.000 1.002 348 N HN 0.501 nan 8.380 nan 0.000 0.428 349 D N -0.026 120.362 120.400 -0.021 0.000 2.117 349 D HA 0.012 4.655 4.640 0.006 0.000 0.198 349 D C 1.764 178.074 176.300 0.015 0.000 0.982 349 D CA 1.224 55.214 54.000 -0.017 0.000 0.828 349 D CB -0.113 40.667 40.800 -0.033 0.000 0.967 349 D HN 0.222 nan 8.370 nan 0.000 0.464 350 A N 0.475 123.309 122.820 0.023 0.000 1.940 350 A HA 0.007 4.330 4.320 0.006 0.000 0.219 350 A C 2.373 180.014 177.584 0.096 0.000 1.176 350 A CA 2.087 54.160 52.037 0.060 0.000 0.631 350 A CB -1.067 17.958 19.000 0.041 0.000 0.814 350 A HN 0.356 nan 8.150 nan 0.000 0.446 351 A N -0.652 122.201 122.820 0.054 0.000 1.898 351 A HA 0.038 4.361 4.320 0.006 0.000 0.216 351 A C 2.231 179.885 177.584 0.118 0.000 1.181 351 A CA 1.684 53.761 52.037 0.067 0.000 0.620 351 A CB -0.875 18.149 19.000 0.040 0.000 0.819 351 A HN 0.365 nan 8.150 nan 0.000 0.442 352 V N -0.078 119.883 119.914 0.078 0.000 2.295 352 V HA -0.253 3.871 4.120 0.006 0.000 0.246 352 V C 3.075 179.212 176.094 0.072 0.000 1.049 352 V CA 1.993 64.334 62.300 0.068 0.000 1.024 352 V CB -1.240 30.600 31.823 0.028 0.000 0.648 352 V HN 0.609 nan 8.190 nan 0.000 0.447 353 A N -0.521 122.342 122.820 0.072 0.000 1.933 353 A HA -0.271 4.052 4.320 0.006 0.000 0.218 353 A C 2.134 179.750 177.584 0.054 0.000 1.175 353 A CA 1.851 53.918 52.037 0.050 0.000 0.628 353 A CB -0.806 18.221 19.000 0.046 0.000 0.814 353 A HN 0.745 nan 8.150 nan 0.000 0.444 354 W N 0.746 121.999 121.300 -0.079 0.000 2.335 354 W HA -0.168 4.494 4.660 0.004 0.000 0.311 354 W C 2.143 178.502 176.519 -0.267 0.000 1.213 354 W CA 2.095 59.367 57.345 -0.122 0.000 1.274 354 W CB -0.830 28.591 29.460 -0.065 0.000 1.148 354 W HN 0.354 nan 8.180 nan 0.000 0.498 355 G N 0.154 108.986 108.800 0.053 0.000 2.422 355 G HA2 -0.205 3.759 3.960 0.006 0.000 0.218 355 G HA3 -0.205 3.759 3.960 0.006 0.000 0.218 355 G C 1.728 176.436 174.900 -0.320 0.000 1.146 355 G CA 1.221 46.143 45.100 -0.297 0.000 0.769 355 G HN 0.424 nan 8.290 nan 0.000 0.547 356 G N 0.969 109.702 108.800 -0.111 0.000 2.422 356 G HA2 0.078 4.041 3.960 0.006 0.000 0.218 356 G HA3 0.078 4.041 3.960 0.006 0.000 0.218 356 G C 1.929 176.752 174.900 -0.127 0.000 1.146 356 G CA 1.333 46.395 45.100 -0.064 0.000 0.769 356 G HN 0.629 nan 8.290 nan 0.000 0.547 357 A N 0.264 122.960 122.820 -0.207 0.000 2.119 357 A HA 0.088 4.412 4.320 0.006 0.000 0.217 357 A C 1.740 179.179 177.584 -0.242 0.000 1.153 357 A CA 0.806 52.709 52.037 -0.222 0.000 0.692 357 A CB -0.070 18.760 19.000 -0.284 0.000 0.799 357 A HN 0.313 nan 8.150 nan 0.000 0.458 358 N N 0.364 118.869 118.700 -0.325 0.000 2.328 358 N HA 0.142 4.885 4.740 0.006 0.000 0.247 358 N C 0.603 176.112 175.510 -0.002 0.000 1.165 358 N CA 0.386 53.276 53.050 -0.266 0.000 0.873 358 N CB 0.613 38.792 38.487 -0.514 0.000 1.125 358 N HN 0.384 nan 8.380 nan 0.000 0.513 359 G N 0.241 109.050 108.800 0.016 0.000 2.699 359 G HA2 0.460 4.424 3.960 0.006 0.000 0.246 359 G HA3 0.460 4.424 3.960 0.006 0.000 0.246 359 G C -0.538 174.400 174.900 0.063 0.000 1.219 359 G CA -0.193 44.969 45.100 0.104 0.000 0.866 359 G HN 0.199 nan 8.290 nan 0.000 0.572 360 A N -0.074 122.805 122.820 0.098 0.000 2.381 360 A HA 0.747 5.071 4.320 0.006 0.000 0.299 360 A C 0.012 177.695 177.584 0.165 0.000 1.049 360 A CA -0.497 51.588 52.037 0.079 0.000 0.715 360 A CB 0.612 19.738 19.000 0.209 0.000 1.222 360 A HN 1.099 nan 8.150 nan 0.000 0.428 361 F N 0.258 120.238 119.950 0.050 0.000 2.640 361 F HA -0.350 4.180 4.527 0.005 0.000 0.227 361 F C 1.711 177.555 175.800 0.075 0.000 1.481 361 F CA 2.353 60.384 58.000 0.052 0.000 1.964 361 F CB -0.824 38.202 39.000 0.044 0.000 0.564 361 F HN 0.607 nan 8.300 nan 0.000 0.224 362 E N 0.255 120.646 120.200 0.318 0.000 2.481 362 E HA 0.286 4.640 4.350 0.006 0.000 0.195 362 E C -0.395 176.307 176.600 0.171 0.000 1.047 362 E CA 0.514 57.052 56.400 0.231 0.000 0.867 362 E CB 0.135 29.963 29.700 0.214 0.000 0.858 362 E HN 0.283 nan 8.360 nan 0.000 0.513 363 L N 0.475 121.794 121.223 0.160 0.000 2.526 363 L HA 0.371 4.715 4.340 0.006 0.000 0.263 363 L C -1.565 175.387 176.870 0.136 0.000 0.943 363 L CA -0.590 54.327 54.840 0.129 0.000 0.859 363 L CB 1.820 43.944 42.059 0.109 0.000 1.313 363 L HN -0.208 nan 8.230 nan 0.000 0.406 364 N N 3.686 122.468 118.700 0.138 0.000 2.408 364 N HA 0.249 4.993 4.740 0.006 0.000 0.257 364 N C -0.233 175.390 175.510 0.187 0.000 1.064 364 N CA -0.104 53.056 53.050 0.185 0.000 0.952 364 N CB 1.521 40.111 38.487 0.171 0.000 1.093 364 N HN 0.534 nan 8.380 nan 0.000 0.490 365 V N 2.586 122.613 119.914 0.188 0.000 2.908 365 V HA 0.355 4.479 4.120 0.006 0.000 0.369 365 V C -0.614 175.376 176.094 -0.172 0.000 1.259 365 V CA -0.354 61.950 62.300 0.006 0.000 1.406 365 V CB -1.332 30.448 31.823 -0.071 0.000 1.475 365 V HN 0.482 nan 8.190 nan 0.000 0.587 366 Y N -0.512 119.821 120.300 0.055 0.000 2.682 366 Y HA 0.506 5.059 4.550 0.005 0.000 0.251 366 Y C 1.602 177.533 175.900 0.052 0.000 1.172 366 Y CA -0.729 57.407 58.100 0.060 0.000 1.186 366 Y CB 0.103 38.623 38.460 0.099 0.000 1.216 366 Y HN 0.284 nan 8.280 nan 0.000 0.540 367 I N 0.844 121.508 120.570 0.157 0.000 2.142 367 I HA -0.180 3.993 4.170 0.006 0.000 0.240 367 I C -0.610 175.642 176.117 0.224 0.000 1.078 367 I CA 1.097 62.528 61.300 0.218 0.000 1.343 367 I CB -1.416 36.780 38.000 0.328 0.000 1.046 367 I HN 0.090 nan 8.210 nan 0.000 0.405 368 P HA -0.187 nan 4.420 nan 0.000 0.217 368 P C 1.886 179.130 177.300 -0.094 0.000 1.150 368 P CA 1.348 64.468 63.100 0.033 0.000 0.832 368 P CB -0.133 31.412 31.700 -0.258 0.000 0.787 369 M N -1.144 118.371 119.600 -0.142 0.000 2.099 369 M HA -0.108 4.376 4.480 0.006 0.000 0.262 369 M C 1.913 178.214 176.300 0.001 0.000 1.067 369 M CA 1.990 57.200 55.300 -0.150 0.000 1.124 369 M CB -1.033 31.568 32.600 0.002 0.000 1.353 369 M HN -0.074 nan 8.290 nan 0.000 0.410 370 M N 0.012 119.660 119.600 0.080 0.000 2.108 370 M HA -0.169 4.314 4.480 0.006 0.000 0.261 370 M C 2.301 178.625 176.300 0.040 0.000 1.066 370 M CA 1.955 57.303 55.300 0.079 0.000 1.107 370 M CB -0.781 31.885 32.600 0.110 0.000 1.356 370 M HN 0.425 nan 8.290 nan 0.000 0.406 371 A N 0.502 123.348 122.820 0.044 0.000 1.877 371 A HA -0.215 4.108 4.320 0.006 0.000 0.216 371 A C 2.177 179.759 177.584 -0.003 0.000 1.186 371 A CA 2.006 54.048 52.037 0.009 0.000 0.620 371 A CB -0.848 18.162 19.000 0.015 0.000 0.822 371 A HN 0.506 nan 8.150 nan 0.000 0.443 372 R N -0.181 120.307 120.500 -0.021 0.000 2.096 372 R HA -0.188 4.156 4.340 0.006 0.000 0.240 372 R C 1.886 178.182 176.300 -0.008 0.000 1.139 372 R CA 1.985 58.065 56.100 -0.035 0.000 0.952 372 R CB -0.455 29.788 30.300 -0.094 0.000 0.854 372 R HN 0.606 nan 8.270 nan 0.000 0.436 373 N N 0.675 119.375 118.700 0.000 0.000 2.135 373 N HA -0.159 4.584 4.740 0.006 0.000 0.186 373 N C 1.995 177.501 175.510 -0.006 0.000 1.027 373 N CA 1.419 54.472 53.050 0.006 0.000 0.849 373 N CB -0.155 38.343 38.487 0.018 0.000 1.002 373 N HN 0.321 nan 8.380 nan 0.000 0.425 374 I N 1.451 122.022 120.570 0.002 0.000 2.252 374 I HA -0.200 3.973 4.170 0.006 0.000 0.245 374 I C 1.994 178.173 176.117 0.103 0.000 1.102 374 I CA 0.858 62.155 61.300 -0.006 0.000 1.385 374 I CB 0.054 38.065 38.000 0.020 0.000 1.064 374 I HN 0.060 nan 8.210 nan 0.000 0.414 375 L N 0.362 121.666 121.223 0.135 0.000 2.093 375 L HA -0.226 4.117 4.340 0.006 0.000 0.208 375 L C 2.512 179.455 176.870 0.121 0.000 1.085 375 L CA 1.449 56.396 54.840 0.180 0.000 0.755 375 L CB -0.683 41.401 42.059 0.043 0.000 0.904 375 L HN 0.353 nan 8.230 nan 0.000 0.435 376 E N 0.101 120.330 120.200 0.049 0.000 2.077 376 E HA -0.196 4.158 4.350 0.006 0.000 0.193 376 E C 2.226 178.836 176.600 0.016 0.000 0.989 376 E CA 1.474 57.889 56.400 0.024 0.000 0.800 376 E CB 0.135 29.839 29.700 0.007 0.000 0.746 376 E HN 0.361 nan 8.360 nan 0.000 0.452 377 S N 0.139 115.824 115.700 -0.025 0.000 2.370 377 S HA -0.153 4.321 4.470 0.006 0.000 0.226 377 S C 1.559 176.106 174.600 -0.089 0.000 1.033 377 S CA 1.212 59.355 58.200 -0.094 0.000 1.011 377 S CB -0.421 62.669 63.200 -0.184 0.000 0.852 377 S HN 0.275 nan 8.310 nan 0.000 0.457 378 F N 2.065 121.999 119.950 -0.028 0.000 2.095 378 F HA -0.145 4.385 4.527 0.006 0.000 0.298 378 F C 2.845 178.631 175.800 -0.024 0.000 1.104 378 F CA 1.333 59.320 58.000 -0.023 0.000 1.232 378 F CB -1.362 37.619 39.000 -0.032 0.000 0.987 378 F HN 0.135 nan 8.300 nan 0.000 0.475 379 T N 0.786 115.437 114.554 0.161 0.000 2.674 379 T HA -0.175 4.179 4.350 0.006 0.000 0.265 379 T C 2.231 176.957 174.700 0.044 0.000 1.039 379 T CA 1.485 63.621 62.100 0.061 0.000 1.150 379 T CB -0.622 68.254 68.868 0.014 0.000 0.864 379 T HN 0.133 nan 8.240 nan 0.000 0.427 380 L N 0.422 121.661 121.223 0.027 0.000 2.012 380 L HA -0.092 4.252 4.340 0.006 0.000 0.210 380 L C 2.575 179.454 176.870 0.014 0.000 1.073 380 L CA 1.305 56.150 54.840 0.008 0.000 0.748 380 L CB -0.746 41.307 42.059 -0.011 0.000 0.891 380 L HN 0.249 nan 8.230 nan 0.000 0.431 381 L N -0.843 120.391 121.223 0.018 0.000 2.046 381 L HA -0.193 4.151 4.340 0.006 0.000 0.208 381 L C 2.679 179.586 176.870 0.063 0.000 1.077 381 L CA 1.476 56.332 54.840 0.026 0.000 0.747 381 L CB -0.896 41.168 42.059 0.008 0.000 0.896 381 L HN 0.281 nan 8.230 nan 0.000 0.432 382 T N -0.345 114.264 114.554 0.091 0.000 2.652 382 T HA -0.158 4.196 4.350 0.006 0.000 0.267 382 T C 1.717 176.465 174.700 0.080 0.000 1.039 382 T CA 1.672 63.835 62.100 0.104 0.000 1.153 382 T CB -0.239 68.704 68.868 0.126 0.000 0.863 382 T HN 0.291 nan 8.240 nan 0.000 0.428 383 N N 0.572 119.309 118.700 0.060 0.000 2.171 383 N HA -0.016 4.728 4.740 0.006 0.000 0.184 383 N C 1.919 177.460 175.510 0.051 0.000 1.021 383 N CA 0.559 53.638 53.050 0.049 0.000 0.854 383 N CB -0.846 37.659 38.487 0.031 0.000 0.994 383 N HN 0.138 nan 8.380 nan 0.000 0.426 384 V N 0.591 120.530 119.914 0.042 0.000 2.548 384 V HA -0.114 4.010 4.120 0.006 0.000 0.249 384 V C 2.009 178.162 176.094 0.098 0.000 1.055 384 V CA 1.371 63.694 62.300 0.039 0.000 1.065 384 V CB -0.407 31.407 31.823 -0.015 0.000 0.681 384 V HN 0.219 nan 8.190 nan 0.000 0.462 385 S N -0.400 115.364 115.700 0.107 0.000 2.368 385 S HA -0.236 4.238 4.470 0.006 0.000 0.225 385 S C 1.948 176.639 174.600 0.151 0.000 1.030 385 S CA 2.024 60.319 58.200 0.159 0.000 0.999 385 S CB -0.299 62.971 63.200 0.118 0.000 0.844 385 S HN 0.640 nan 8.310 nan 0.000 0.459 386 K N 0.976 121.439 120.400 0.104 0.000 2.026 386 K HA -0.017 4.306 4.320 0.006 0.000 0.208 386 K C 2.015 178.668 176.600 0.088 0.000 1.048 386 K CA 1.034 57.368 56.287 0.079 0.000 0.929 386 K CB -0.240 32.296 32.500 0.061 0.000 0.713 386 K HN 0.260 nan 8.250 nan 0.000 0.439 387 L N 0.174 121.458 121.223 0.103 0.000 2.017 387 L HA -0.174 4.169 4.340 0.006 0.000 0.208 387 L C 2.460 179.434 176.870 0.174 0.000 1.073 387 L CA 0.999 55.903 54.840 0.106 0.000 0.745 387 L CB -0.522 41.589 42.059 0.086 0.000 0.894 387 L HN 0.214 nan 8.230 nan 0.000 0.432 388 F N 0.964 120.921 119.950 0.012 0.000 2.126 388 F HA -0.231 4.300 4.527 0.006 0.000 0.299 388 F C 2.407 178.220 175.800 0.023 0.000 1.096 388 F CA 1.107 59.115 58.000 0.014 0.000 1.255 388 F CB -0.653 38.351 39.000 0.007 0.000 0.997 388 F HN 0.017 nan 8.300 nan 0.000 0.479 389 A N -0.158 122.678 122.820 0.026 0.000 1.858 389 A HA -0.217 4.106 4.320 0.006 0.000 0.216 389 A C 2.148 179.697 177.584 -0.059 0.000 1.190 389 A CA 1.902 53.881 52.037 -0.095 0.000 0.617 389 A CB -0.763 18.217 19.000 -0.033 0.000 0.827 389 A HN 0.587 nan 8.150 nan 0.000 0.443 390 Q N -1.456 118.343 119.800 -0.001 0.000 2.250 390 Q HA 0.077 4.420 4.340 0.006 0.000 0.200 390 Q C 1.878 177.881 176.000 0.005 0.000 0.941 390 Q CA 0.735 56.535 55.803 -0.005 0.000 0.872 390 Q CB 0.143 28.886 28.738 0.008 0.000 0.965 390 Q HN 0.572 nan 8.270 nan 0.000 0.480 391 R N -1.322 119.199 120.500 0.035 0.000 2.334 391 R HA 0.178 4.522 4.340 0.006 0.000 0.212 391 R C 1.353 177.691 176.300 0.063 0.000 0.897 391 R CA 0.078 56.206 56.100 0.046 0.000 1.056 391 R CB 0.512 30.848 30.300 0.059 0.000 1.046 391 R HN 0.182 nan 8.270 nan 0.000 0.513 392 C N -0.846 118.495 119.300 0.068 0.000 2.857 392 C HA 0.308 4.772 4.460 0.006 0.000 0.328 392 C C 2.130 177.119 174.990 -0.002 0.000 1.957 392 C CA -0.181 58.891 59.018 0.090 0.000 2.134 392 C CB -0.434 27.465 27.740 0.264 0.000 1.814 392 C HN 0.301 nan 8.230 nan 0.000 0.703 393 I N 2.507 122.997 120.570 -0.134 0.000 2.179 393 I HA -0.103 4.070 4.170 0.006 0.000 0.242 393 I C 2.836 178.864 176.117 -0.149 0.000 1.088 393 I CA 1.817 63.021 61.300 -0.159 0.000 1.357 393 I CB -0.474 37.360 38.000 -0.277 0.000 1.051 393 I HN 0.497 nan 8.210 nan 0.000 0.409 394 A N 0.593 123.336 122.820 -0.128 0.000 1.940 394 A HA -0.149 4.174 4.320 0.006 0.000 0.219 394 A C 2.218 179.722 177.584 -0.132 0.000 1.176 394 A CA 2.042 53.998 52.037 -0.134 0.000 0.631 394 A CB -1.225 17.721 19.000 -0.088 0.000 0.814 394 A HN 0.496 nan 8.150 nan 0.000 0.446 395 G N -1.123 107.631 108.800 -0.076 0.000 3.337 395 G HA2 0.432 4.396 3.960 0.006 0.000 0.246 395 G HA3 0.432 4.396 3.960 0.006 0.000 0.246 395 G C 0.302 175.196 174.900 -0.010 0.000 1.131 395 G CA -0.489 44.584 45.100 -0.044 0.000 0.773 395 G HN 0.358 nan 8.290 nan 0.000 0.544 396 L N 2.089 123.297 121.223 -0.025 0.000 2.485 396 L HA 0.301 4.644 4.340 0.006 0.000 0.275 396 L C 0.958 177.950 176.870 0.204 0.000 1.207 396 L CA 0.104 55.006 54.840 0.104 0.000 0.855 396 L CB 0.724 42.877 42.059 0.156 0.000 1.114 396 L HN 0.176 nan 8.230 nan 0.000 0.485 397 T N 0.100 114.826 114.554 0.287 0.000 2.908 397 T HA 0.817 5.170 4.350 0.006 0.000 0.290 397 T C -0.517 174.347 174.700 0.274 0.000 1.034 397 T CA -0.829 61.470 62.100 0.331 0.000 1.010 397 T CB 2.125 71.091 68.868 0.163 0.000 1.068 397 T HN 0.683 nan 8.240 nan 0.000 0.481 398 A N 2.082 124.997 122.820 0.158 0.000 2.355 398 A HA 0.704 5.027 4.320 0.006 0.000 0.324 398 A C -0.191 177.337 177.584 -0.093 0.000 1.117 398 A CA -1.068 50.855 52.037 -0.191 0.000 0.785 398 A CB 0.884 19.401 19.000 -0.805 0.000 1.254 398 A HN 0.813 nan 8.150 nan 0.000 0.453 399 N N 1.808 120.457 118.700 -0.086 0.000 2.868 399 N HA 0.326 5.070 4.740 0.006 0.000 0.252 399 N C 0.789 176.289 175.510 -0.018 0.000 1.130 399 N CA 0.529 53.569 53.050 -0.017 0.000 1.026 399 N CB 1.377 39.878 38.487 0.023 0.000 1.335 399 N HN 0.696 nan 8.380 nan 0.000 0.516 400 A N 1.728 124.527 122.820 -0.035 0.000 1.887 400 A HA 0.017 4.341 4.320 0.006 0.000 0.210 400 A C 2.116 179.686 177.584 -0.022 0.000 1.221 400 A CA 1.293 53.292 52.037 -0.063 0.000 0.635 400 A CB -0.626 18.330 19.000 -0.073 0.000 0.881 400 A HN 0.502 nan 8.150 nan 0.000 0.456 401 E N -0.513 119.694 120.200 0.012 0.000 2.130 401 E HA -0.308 4.046 4.350 0.006 0.000 0.196 401 E C 1.990 178.619 176.600 0.047 0.000 0.998 401 E CA 1.779 58.193 56.400 0.024 0.000 0.806 401 E CB -1.183 28.537 29.700 0.034 0.000 0.738 401 E HN 0.839 nan 8.360 nan 0.000 0.459 402 H N -0.379 118.672 119.070 -0.032 0.000 2.363 402 H HA 0.094 4.654 4.556 0.006 0.000 0.301 402 H C 2.424 177.731 175.328 -0.034 0.000 1.074 402 H CA 1.250 57.281 56.048 -0.028 0.000 1.354 402 H CB 0.010 29.758 29.762 -0.024 0.000 1.397 402 H HN 0.364 nan 8.280 nan 0.000 0.516 403 L N 0.592 121.758 121.223 -0.094 0.000 2.079 403 L HA -0.208 4.136 4.340 0.006 0.000 0.210 403 L C 2.958 179.736 176.870 -0.153 0.000 1.081 403 L CA 1.345 56.096 54.840 -0.147 0.000 0.752 403 L CB -0.397 41.595 42.059 -0.112 0.000 0.896 403 L HN 0.275 nan 8.230 nan 0.000 0.433 404 R N 0.536 120.969 120.500 -0.113 0.000 2.066 404 R HA -0.185 4.158 4.340 0.006 0.000 0.232 404 R C 2.386 178.628 176.300 -0.097 0.000 1.131 404 R CA 1.771 57.820 56.100 -0.085 0.000 0.955 404 R CB -0.232 30.036 30.300 -0.053 0.000 0.851 404 R HN 0.371 nan 8.270 nan 0.000 0.432 405 E N 1.422 121.550 120.200 -0.119 0.000 2.085 405 E HA -0.163 4.190 4.350 0.006 0.000 0.194 405 E C 2.056 178.567 176.600 -0.148 0.000 0.994 405 E CA 1.527 57.859 56.400 -0.113 0.000 0.801 405 E CB -0.774 28.873 29.700 -0.089 0.000 0.743 405 E HN 0.471 nan 8.360 nan 0.000 0.453 406 L N -0.377 120.699 121.223 -0.244 0.000 2.027 406 L HA -0.061 4.283 4.340 0.006 0.000 0.206 406 L C 3.175 179.980 176.870 -0.109 0.000 1.074 406 L CA 1.155 55.877 54.840 -0.196 0.000 0.745 406 L CB -0.482 41.425 42.059 -0.254 0.000 0.898 406 L HN 0.463 nan 8.230 nan 0.000 0.433 407 A N -0.049 122.712 122.820 -0.098 0.000 1.940 407 A HA -0.224 4.100 4.320 0.006 0.000 0.219 407 A C 2.044 179.599 177.584 -0.048 0.000 1.176 407 A CA 1.578 53.578 52.037 -0.062 0.000 0.631 407 A CB -0.477 18.490 19.000 -0.056 0.000 0.814 407 A HN 0.465 nan 8.150 nan 0.000 0.446 408 E N 0.027 120.196 120.200 -0.052 0.000 2.472 408 E HA -0.041 4.312 4.350 0.006 0.000 0.200 408 E C 1.178 177.759 176.600 -0.032 0.000 1.046 408 E CA 0.805 57.182 56.400 -0.037 0.000 0.871 408 E CB -0.036 29.643 29.700 -0.035 0.000 0.806 408 E HN 0.553 nan 8.360 nan 0.000 0.533 409 S N -0.134 115.543 115.700 -0.039 0.000 2.540 409 S HA 0.045 4.519 4.470 0.006 0.000 0.218 409 S C 0.491 175.077 174.600 -0.023 0.000 0.977 409 S CA -0.305 57.877 58.200 -0.030 0.000 0.918 409 S CB 0.743 63.922 63.200 -0.035 0.000 0.806 409 S HN 0.015 nan 8.310 nan 0.000 0.496 410 S N 2.551 118.237 115.700 -0.023 0.000 2.523 410 S HA 0.270 4.743 4.470 0.006 0.000 0.275 410 S C -1.917 172.677 174.600 -0.010 0.000 1.281 410 S CA -1.691 56.498 58.200 -0.017 0.000 1.050 410 S CB 0.884 64.073 63.200 -0.019 0.000 0.937 410 S HN -0.026 nan 8.310 nan 0.000 0.492 411 P HA -0.061 nan 4.420 nan 0.000 0.220 411 P C 1.191 178.492 177.300 0.001 0.000 1.144 411 P CA 0.909 64.008 63.100 -0.001 0.000 0.800 411 P CB 0.050 31.750 31.700 0.000 0.000 0.772 412 S N -0.283 115.415 115.700 -0.002 0.000 2.440 412 S HA -0.126 4.348 4.470 0.006 0.000 0.238 412 S C 1.623 176.223 174.600 0.000 0.000 1.010 412 S CA 1.118 59.318 58.200 -0.001 0.000 0.972 412 S CB -0.975 62.223 63.200 -0.003 0.000 0.774 412 S HN 0.399 nan 8.310 nan 0.000 0.501 413 I N -0.694 119.875 120.570 -0.002 0.000 3.875 413 I HA 0.204 4.378 4.170 0.006 0.000 0.329 413 I C 1.522 177.641 176.117 0.003 0.000 1.295 413 I CA -0.013 61.286 61.300 -0.001 0.000 1.129 413 I CB 0.028 38.024 38.000 -0.006 0.000 1.008 413 I HN 0.120 nan 8.210 nan 0.000 0.413 414 V N -2.054 117.865 119.914 0.007 0.000 3.041 414 V HA -0.048 4.076 4.120 0.006 0.000 0.260 414 V C 2.137 178.243 176.094 0.021 0.000 1.105 414 V CA 1.679 63.987 62.300 0.013 0.000 1.125 414 V CB -1.357 30.475 31.823 0.015 0.000 0.730 414 V HN 0.440 nan 8.190 nan 0.000 0.479 415 T N 1.994 116.560 114.554 0.020 0.000 2.665 415 T HA -0.075 4.278 4.350 0.006 0.000 0.268 415 T C -0.034 174.679 174.700 0.022 0.000 1.035 415 T CA 2.334 64.448 62.100 0.024 0.000 1.151 415 T CB -1.503 67.374 68.868 0.015 0.000 0.862 415 T HN 0.584 nan 8.240 nan 0.000 0.438 416 P HA 0.094 nan 4.420 nan 0.000 0.231 416 P C 1.097 178.405 177.300 0.014 0.000 1.158 416 P CA 0.665 63.772 63.100 0.012 0.000 0.763 416 P CB -0.372 31.332 31.700 0.007 0.000 0.805 417 L N -1.257 119.976 121.223 0.018 0.000 2.418 417 L HA 0.005 4.349 4.340 0.006 0.000 0.218 417 L C 2.047 178.932 176.870 0.026 0.000 1.125 417 L CA 0.393 55.243 54.840 0.017 0.000 0.835 417 L CB -0.847 41.220 42.059 0.013 0.000 0.953 417 L HN -0.070 nan 8.230 nan 0.000 0.454 418 N N 0.618 119.342 118.700 0.040 0.000 2.060 418 N HA -0.209 4.535 4.740 0.006 0.000 0.195 418 N C 1.993 177.534 175.510 0.051 0.000 1.028 418 N CA 1.981 55.069 53.050 0.063 0.000 0.861 418 N CB -0.392 38.143 38.487 0.081 0.000 1.029 418 N HN 0.350 nan 8.380 nan 0.000 0.428 419 S N -1.155 114.566 115.700 0.035 0.000 2.607 419 S HA 0.284 4.757 4.470 0.006 0.000 0.224 419 S C 1.561 176.173 174.600 0.020 0.000 0.969 419 S CA 0.525 58.742 58.200 0.028 0.000 0.927 419 S CB 0.165 63.377 63.200 0.020 0.000 0.772 419 S HN 0.358 nan 8.310 nan 0.000 0.533 420 A N 1.971 124.801 122.820 0.017 0.000 1.993 420 A HA 0.505 4.828 4.320 0.006 0.000 0.207 420 A C 1.941 179.529 177.584 0.007 0.000 1.224 420 A CA 0.533 52.576 52.037 0.010 0.000 0.749 420 A CB -0.231 18.773 19.000 0.007 0.000 0.884 420 A HN 0.806 nan 8.150 nan 0.000 0.467 421 I N -4.995 115.579 120.570 0.007 0.000 4.327 421 I HA 0.556 4.730 4.170 0.006 0.000 0.331 421 I C 0.712 176.821 176.117 -0.013 0.000 1.348 421 I CA 0.182 61.480 61.300 -0.004 0.000 1.152 421 I CB 0.526 38.520 38.000 -0.009 0.000 1.151 421 I HN 0.440 nan 8.210 nan 0.000 0.410 422 G N 2.345 111.151 108.800 0.010 0.000 2.721 422 G HA2 -0.333 3.631 3.960 0.006 0.000 0.686 422 G HA3 -0.333 3.631 3.960 0.006 0.000 0.686 422 G C -0.054 174.847 174.900 0.001 0.000 1.236 422 G CA 0.029 45.137 45.100 0.013 0.000 0.786 422 G HN 0.624 nan 8.290 nan 0.000 0.616 423 Y N -0.998 119.299 120.300 -0.004 0.000 2.293 423 Y HA 0.081 4.634 4.550 0.006 0.000 0.291 423 Y C 2.256 178.153 175.900 -0.005 0.000 1.137 423 Y CA 1.914 60.011 58.100 -0.005 0.000 1.202 423 Y CB -0.193 38.264 38.460 -0.005 0.000 0.990 423 Y HN 0.683 nan 8.280 nan 0.000 0.537 424 E N 0.390 120.094 120.200 -0.827 0.000 2.072 424 E HA -0.217 4.137 4.350 0.006 0.000 0.191 424 E C 1.976 178.441 176.600 -0.224 0.000 0.985 424 E CA 1.350 57.423 56.400 -0.545 0.000 0.801 424 E CB -0.102 29.261 29.700 -0.561 0.000 0.750 424 E HN 0.517 nan 8.360 nan 0.000 0.452 425 E N 1.133 121.232 120.200 -0.169 0.000 2.072 425 E HA -0.137 4.216 4.350 0.006 0.000 0.191 425 E C 1.853 178.422 176.600 -0.051 0.000 0.985 425 E CA 1.284 57.631 56.400 -0.088 0.000 0.801 425 E CB -0.206 29.455 29.700 -0.065 0.000 0.750 425 E HN 0.223 nan 8.360 nan 0.000 0.452 426 A N 0.839 123.638 122.820 -0.035 0.000 1.908 426 A HA -0.129 4.195 4.320 0.006 0.000 0.218 426 A C 2.449 180.035 177.584 0.004 0.000 1.181 426 A CA 2.257 54.294 52.037 -0.000 0.000 0.627 426 A CB -1.079 17.941 19.000 0.034 0.000 0.818 426 A HN 0.398 nan 8.150 nan 0.000 0.445 427 A N -0.269 122.551 122.820 0.000 0.000 1.902 427 A HA 0.182 4.506 4.320 0.006 0.000 0.217 427 A C 2.506 180.085 177.584 -0.008 0.000 1.181 427 A CA 2.035 54.078 52.037 0.009 0.000 0.623 427 A CB -1.005 18.008 19.000 0.021 0.000 0.818 427 A HN 1.092 nan 8.150 nan 0.000 0.443 428 A N -0.642 122.162 122.820 -0.027 0.000 1.933 428 A HA 0.013 4.337 4.320 0.006 0.000 0.218 428 A C 2.225 179.799 177.584 -0.016 0.000 1.175 428 A CA 1.713 53.735 52.037 -0.025 0.000 0.628 428 A CB -0.857 18.122 19.000 -0.036 0.000 0.814 428 A HN 0.358 nan 8.150 nan 0.000 0.444 429 V N -0.195 119.710 119.914 -0.015 0.000 2.295 429 V HA -0.261 3.863 4.120 0.006 0.000 0.246 429 V C 3.076 179.167 176.094 -0.006 0.000 1.049 429 V CA 1.958 64.252 62.300 -0.010 0.000 1.024 429 V CB -1.167 30.651 31.823 -0.008 0.000 0.648 429 V HN 0.628 nan 8.190 nan 0.000 0.447 430 A N -0.331 122.487 122.820 -0.002 0.000 1.883 430 A HA -0.272 4.051 4.320 0.006 0.000 0.217 430 A C 2.288 179.871 177.584 -0.002 0.000 1.186 430 A CA 2.159 54.196 52.037 0.000 0.000 0.624 430 A CB -0.486 18.518 19.000 0.006 0.000 0.822 430 A HN 0.542 nan 8.150 nan 0.000 0.444 431 K N -0.935 119.463 120.400 -0.003 0.000 2.057 431 K HA -0.219 4.104 4.320 0.006 0.000 0.207 431 K C 2.420 179.018 176.600 -0.004 0.000 1.049 431 K CA 1.689 57.974 56.287 -0.003 0.000 0.931 431 K CB -0.197 32.300 32.500 -0.004 0.000 0.714 431 K HN 0.702 nan 8.250 nan 0.000 0.440 432 Q N 0.574 120.371 119.800 -0.006 0.000 2.119 432 Q HA -0.135 4.209 4.340 0.006 0.000 0.201 432 Q C 2.016 178.014 176.000 -0.004 0.000 0.972 432 Q CA 1.366 57.166 55.803 -0.005 0.000 0.847 432 Q CB -0.072 28.661 28.738 -0.007 0.000 0.903 432 Q HN 0.322 nan 8.270 nan 0.000 0.433 433 A N 0.859 123.677 122.820 -0.004 0.000 1.883 433 A HA -0.188 4.136 4.320 0.006 0.000 0.217 433 A C 2.047 179.629 177.584 -0.003 0.000 1.186 433 A CA 1.324 53.358 52.037 -0.004 0.000 0.624 433 A CB -0.807 18.190 19.000 -0.005 0.000 0.822 433 A HN 0.470 nan 8.150 nan 0.000 0.444 434 L N -0.767 120.454 121.223 -0.003 0.000 2.046 434 L HA -0.219 4.125 4.340 0.006 0.000 0.208 434 L C 3.263 180.134 176.870 0.000 0.000 1.077 434 L CA 1.882 56.721 54.840 -0.002 0.000 0.747 434 L CB -0.658 41.400 42.059 -0.002 0.000 0.896 434 L HN 0.561 nan 8.230 nan 0.000 0.432 435 K N 0.409 120.809 120.400 -0.001 0.000 2.057 435 K HA -0.164 4.159 4.320 0.006 0.000 0.207 435 K C 1.646 178.247 176.600 0.001 0.000 1.049 435 K CA 1.692 57.979 56.287 0.000 0.000 0.931 435 K CB -0.658 31.841 32.500 -0.001 0.000 0.714 435 K HN 0.538 nan 8.250 nan 0.000 0.440 436 E N -1.052 119.149 120.200 0.001 0.000 2.463 436 E HA 0.174 4.527 4.350 0.006 0.000 0.193 436 E C 0.407 177.009 176.600 0.004 0.000 1.041 436 E CA 0.237 56.638 56.400 0.002 0.000 0.879 436 E CB 0.161 29.861 29.700 0.001 0.000 0.997 436 E HN 0.513 nan 8.360 nan 0.000 0.478 437 R N 1.820 122.323 120.500 0.004 0.000 3.188 437 R HA -0.240 4.103 4.340 0.006 0.000 0.247 437 R C -0.371 175.932 176.300 0.005 0.000 0.918 437 R CA 1.538 57.642 56.100 0.006 0.000 0.629 437 R CB -3.050 27.257 30.300 0.011 0.000 1.087 437 R HN 0.201 nan 8.270 nan 0.000 0.462 438 K N -0.055 120.346 120.400 0.001 0.000 2.352 438 K HA 0.634 4.958 4.320 0.006 0.000 0.240 438 K C 0.747 177.344 176.600 -0.006 0.000 1.017 438 K CA -0.234 56.053 56.287 -0.001 0.000 0.851 438 K CB 1.704 34.204 32.500 -0.000 0.000 1.261 438 K HN 0.519 nan 8.250 nan 0.000 0.451 439 T N -1.297 113.252 114.554 -0.007 0.000 2.855 439 T HA 0.068 4.422 4.350 0.006 0.000 0.314 439 T C 1.585 176.279 174.700 -0.009 0.000 1.077 439 T CA -0.560 61.533 62.100 -0.012 0.000 1.095 439 T CB 0.280 69.141 68.868 -0.012 0.000 0.987 439 T HN 0.319 nan 8.240 nan 0.000 0.546 440 I N 0.807 121.370 120.570 -0.010 0.000 2.226 440 I HA -0.109 4.065 4.170 0.006 0.000 0.245 440 I C 2.713 178.826 176.117 -0.006 0.000 1.100 440 I CA 1.431 62.726 61.300 -0.008 0.000 1.374 440 I CB -1.373 36.623 38.000 -0.007 0.000 1.057 440 I HN 0.849 nan 8.210 nan 0.000 0.413 441 R N 0.757 121.253 120.500 -0.007 0.000 2.080 441 R HA -0.271 4.073 4.340 0.006 0.000 0.236 441 R C 2.331 178.629 176.300 -0.005 0.000 1.137 441 R CA 2.129 58.226 56.100 -0.006 0.000 0.943 441 R CB -0.229 30.068 30.300 -0.006 0.000 0.846 441 R HN 0.246 nan 8.270 nan 0.000 0.431 442 Q N 0.005 119.802 119.800 -0.004 0.000 2.124 442 Q HA -0.090 4.253 4.340 0.006 0.000 0.202 442 Q C 1.777 177.775 176.000 -0.004 0.000 0.977 442 Q CA 2.489 58.290 55.803 -0.003 0.000 0.850 442 Q CB -0.335 28.402 28.738 -0.002 0.000 0.901 442 Q HN 0.375 nan 8.270 nan 0.000 0.429 443 T N -0.466 114.086 114.554 -0.004 0.000 2.788 443 T HA -0.104 4.250 4.350 0.006 0.000 0.268 443 T C 1.762 176.459 174.700 -0.006 0.000 1.044 443 T CA 1.343 63.440 62.100 -0.005 0.000 1.139 443 T CB -0.328 68.536 68.868 -0.006 0.000 0.867 443 T HN 0.094 nan 8.240 nan 0.000 0.454 444 V N 1.226 121.136 119.914 -0.006 0.000 2.358 444 V HA -0.114 4.010 4.120 0.006 0.000 0.246 444 V C 2.362 178.452 176.094 -0.006 0.000 1.047 444 V CA 1.349 63.645 62.300 -0.006 0.000 1.035 444 V CB -0.572 31.248 31.823 -0.005 0.000 0.658 444 V HN 0.478 nan 8.190 nan 0.000 0.452 445 I N 0.126 120.693 120.570 -0.005 0.000 2.179 445 I HA -0.245 3.928 4.170 0.006 0.000 0.242 445 I C 2.262 178.376 176.117 -0.004 0.000 1.088 445 I CA 1.692 62.990 61.300 -0.004 0.000 1.357 445 I CB -0.510 37.488 38.000 -0.003 0.000 1.051 445 I HN 0.298 nan 8.210 nan 0.000 0.409 446 D N 0.766 121.163 120.400 -0.004 0.000 2.144 446 D HA -0.140 4.504 4.640 0.006 0.000 0.199 446 D C 2.092 178.389 176.300 -0.006 0.000 0.984 446 D CA 1.137 55.134 54.000 -0.004 0.000 0.834 446 D CB -0.213 40.584 40.800 -0.004 0.000 0.955 446 D HN 0.297 nan 8.370 nan 0.000 0.465 447 R N -0.432 120.063 120.500 -0.007 0.000 2.319 447 R HA 0.201 4.545 4.340 0.006 0.000 0.204 447 R C 1.091 177.386 176.300 -0.009 0.000 0.954 447 R CA 0.487 56.581 56.100 -0.009 0.000 1.066 447 R CB 0.262 30.555 30.300 -0.012 0.000 0.991 447 R HN 0.118 nan 8.270 nan 0.000 0.486 448 G N 1.054 109.849 108.800 -0.008 0.000 2.147 448 G HA2 -0.263 3.700 3.960 0.006 0.000 0.244 448 G HA3 -0.263 3.700 3.960 0.006 0.000 0.244 448 G C 0.536 175.432 174.900 -0.007 0.000 1.005 448 G CA -0.032 45.064 45.100 -0.007 0.000 0.713 448 G HN 0.309 nan 8.290 nan 0.000 0.515 449 L N -0.077 121.141 121.223 -0.008 0.000 2.418 449 L HA 0.239 4.582 4.340 0.006 0.000 0.218 449 L C 1.290 178.156 176.870 -0.006 0.000 1.125 449 L CA 0.011 54.847 54.840 -0.008 0.000 0.835 449 L CB -0.101 41.952 42.059 -0.009 0.000 0.953 449 L HN 0.208 nan 8.230 nan 0.000 0.454 450 I N 1.152 121.719 120.570 -0.005 0.000 2.505 450 I HA 0.284 4.457 4.170 0.006 0.000 0.287 450 I C 0.932 177.047 176.117 -0.003 0.000 1.104 450 I CA 0.696 61.994 61.300 -0.003 0.000 1.387 450 I CB -0.372 37.626 38.000 -0.003 0.000 1.404 450 I HN 0.211 nan 8.210 nan 0.000 0.528 451 G N 4.463 113.262 108.800 -0.003 0.000 2.458 451 G HA2 0.008 3.972 3.960 0.006 0.000 0.066 451 G HA3 0.008 3.972 3.960 0.006 0.000 0.066 451 G C 0.462 175.360 174.900 -0.002 0.000 0.986 451 G CA 0.322 45.421 45.100 -0.003 0.000 1.131 451 G HN 0.371 nan 8.290 nan 0.000 0.453 452 D N 0.312 120.711 120.400 -0.003 0.000 2.117 452 D HA 0.161 4.805 4.640 0.006 0.000 0.197 452 D C 2.532 178.831 176.300 -0.002 0.000 0.987 452 D CA 3.722 57.720 54.000 -0.002 0.000 0.829 452 D CB -0.794 40.005 40.800 -0.003 0.000 0.961 452 D HN 1.066 nan 8.370 nan 0.000 0.460 453 K N -0.356 120.042 120.400 -0.003 0.000 2.002 453 K HA 0.417 4.740 4.320 0.006 0.000 0.209 453 K C 1.286 177.885 176.600 -0.001 0.000 1.048 453 K CA 1.497 57.782 56.287 -0.003 0.000 0.930 453 K CB -0.823 31.674 32.500 -0.005 0.000 0.714 453 K HN 1.265 nan 8.250 nan 0.000 0.438 454 L N -3.482 117.740 121.223 -0.002 0.000 2.653 454 L HA 0.565 4.909 4.340 0.006 0.000 0.257 454 L C -0.401 176.468 176.870 -0.001 0.000 0.969 454 L CA -0.751 54.089 54.840 -0.001 0.000 0.869 454 L CB 1.940 43.999 42.059 0.000 0.000 1.439 454 L HN 0.165 nan 8.230 nan 0.000 0.414 455 S N 1.173 116.872 115.700 -0.000 0.000 2.632 455 S HA 0.347 4.820 4.470 0.006 0.000 0.267 455 S C 0.793 175.392 174.600 -0.001 0.000 1.276 455 S CA -0.467 57.732 58.200 -0.001 0.000 0.998 455 S CB 1.621 64.821 63.200 -0.000 0.000 0.953 455 S HN 0.821 nan 8.310 nan 0.000 0.547 456 L N 1.092 122.314 121.223 -0.001 0.000 2.046 456 L HA -0.029 4.315 4.340 0.006 0.000 0.208 456 L C 2.474 179.343 176.870 -0.001 0.000 1.077 456 L CA 1.915 56.755 54.840 -0.001 0.000 0.747 456 L CB -1.139 40.919 42.059 -0.001 0.000 0.896 456 L HN 0.928 nan 8.230 nan 0.000 0.432 457 E N -0.897 119.303 120.200 -0.000 0.000 2.077 457 E HA -0.288 4.065 4.350 0.006 0.000 0.193 457 E C 2.044 178.644 176.600 0.000 0.000 0.989 457 E CA 1.295 57.695 56.400 -0.000 0.000 0.800 457 E CB -0.039 29.661 29.700 0.000 0.000 0.746 457 E HN 0.471 nan 8.360 nan 0.000 0.452 458 E N 0.871 121.072 120.200 0.000 0.000 2.077 458 E HA -0.183 4.171 4.350 0.006 0.000 0.193 458 E C 1.911 178.511 176.600 0.001 0.000 0.989 458 E CA 0.576 56.976 56.400 0.001 0.000 0.800 458 E CB -0.190 29.511 29.700 0.001 0.000 0.746 458 E HN 0.143 nan 8.360 nan 0.000 0.452 459 L N 0.829 122.052 121.223 -0.000 0.000 2.042 459 L HA -0.168 4.175 4.340 0.006 0.000 0.210 459 L C 1.530 178.400 176.870 -0.001 0.000 1.076 459 L CA 2.165 57.005 54.840 -0.000 0.000 0.749 459 L CB -0.598 41.460 42.059 -0.001 0.000 0.893 459 L HN 0.091 nan 8.230 nan 0.000 0.432 460 D N -0.802 119.597 120.400 -0.001 0.000 2.144 460 D HA -0.187 4.456 4.640 0.006 0.000 0.200 460 D C 2.235 178.534 176.300 -0.001 0.000 0.978 460 D CA 0.997 54.996 54.000 -0.002 0.000 0.833 460 D CB -0.129 40.670 40.800 -0.001 0.000 0.961 460 D HN 0.392 nan 8.370 nan 0.000 0.470 461 R N 1.070 121.569 120.500 -0.000 0.000 2.070 461 R HA -0.085 4.259 4.340 0.006 0.000 0.233 461 R C 2.147 178.447 176.300 0.000 0.000 1.137 461 R CA 1.114 57.214 56.100 -0.000 0.000 0.945 461 R CB 0.020 30.321 30.300 0.001 0.000 0.845 461 R HN 0.061 nan 8.270 nan 0.000 0.430 462 R N -0.012 120.488 120.500 0.001 0.000 2.120 462 R HA -0.021 4.322 4.340 0.006 0.000 0.234 462 R C 1.530 177.831 176.300 0.000 0.000 1.123 462 R CA 1.016 57.117 56.100 0.001 0.000 0.975 462 R CB -0.038 30.264 30.300 0.003 0.000 0.866 462 R HN 0.284 nan 8.270 nan 0.000 0.446 463 L N 0.962 122.184 121.223 -0.001 0.000 2.928 463 L HA 0.149 4.493 4.340 0.006 0.000 0.246 463 L C -0.114 176.752 176.870 -0.006 0.000 1.239 463 L CA -0.415 54.423 54.840 -0.004 0.000 1.035 463 L CB 0.214 42.270 42.059 -0.005 0.000 1.360 463 L HN -0.025 nan 8.230 nan 0.000 0.529 464 D N 1.044 121.441 120.400 -0.004 0.000 2.359 464 D HA 0.052 4.696 4.640 0.006 0.000 0.250 464 D C 1.280 177.576 176.300 -0.007 0.000 1.264 464 D CA -0.072 53.925 54.000 -0.005 0.000 0.911 464 D CB 1.466 42.264 40.800 -0.003 0.000 1.056 464 D HN 0.105 nan 8.370 nan 0.000 0.499 465 V N 2.844 122.752 119.914 -0.010 0.000 2.548 465 V HA -0.123 4.000 4.120 0.006 0.000 0.249 465 V C 2.226 178.313 176.094 -0.011 0.000 1.055 465 V CA 0.572 62.864 62.300 -0.013 0.000 1.065 465 V CB -0.782 31.029 31.823 -0.020 0.000 0.681 465 V HN 0.431 nan 8.190 nan 0.000 0.462 466 L N 1.908 123.125 121.223 -0.010 0.000 2.017 466 L HA 0.029 4.373 4.340 0.006 0.000 0.208 466 L C 2.672 179.541 176.870 -0.003 0.000 1.073 466 L CA 2.379 57.215 54.840 -0.006 0.000 0.745 466 L CB -1.198 40.859 42.059 -0.004 0.000 0.894 466 L HN 0.311 nan 8.230 nan 0.000 0.432 467 A N -0.866 121.952 122.820 -0.002 0.000 1.940 467 A HA -0.264 4.060 4.320 0.006 0.000 0.219 467 A C 2.316 179.899 177.584 -0.001 0.000 1.176 467 A CA 2.194 54.230 52.037 -0.001 0.000 0.631 467 A CB -0.621 18.378 19.000 -0.001 0.000 0.814 467 A HN 0.550 nan 8.150 nan 0.000 0.446 468 M N -0.687 118.912 119.600 -0.003 0.000 2.279 468 M HA -0.141 4.342 4.480 0.006 0.000 0.264 468 M C 2.295 178.593 176.300 -0.003 0.000 1.062 468 M CA 1.173 56.471 55.300 -0.003 0.000 1.099 468 M CB -0.271 32.327 32.600 -0.004 0.000 1.394 468 M HN 0.498 nan 8.290 nan 0.000 0.426 469 A N 0.004 122.822 122.820 -0.003 0.000 2.119 469 A HA -0.084 4.240 4.320 0.006 0.000 0.217 469 A C 0.889 178.473 177.584 0.000 0.000 1.153 469 A CA 0.651 52.687 52.037 -0.002 0.000 0.692 469 A CB -0.363 18.636 19.000 -0.001 0.000 0.799 469 A HN 0.510 nan 8.150 nan 0.000 0.458 470 K N -0.687 119.713 120.400 0.001 0.000 3.419 470 K HA -0.120 4.204 4.320 0.006 0.000 0.272 470 K C -0.579 176.023 176.600 0.004 0.000 0.973 470 K CA 0.373 56.661 56.287 0.002 0.000 0.749 470 K CB -1.949 30.552 32.500 0.001 0.000 1.403 470 K HN 0.245 nan 8.250 nan 0.000 0.456 471 V N 1.317 121.234 119.914 0.006 0.000 2.540 471 V HA 0.103 4.227 4.120 0.006 0.000 0.297 471 V C 1.499 177.598 176.094 0.008 0.000 1.024 471 V CA 0.960 63.265 62.300 0.009 0.000 1.105 471 V CB 0.516 32.347 31.823 0.013 0.000 0.938 471 V HN 0.555 nan 8.190 nan 0.000 0.482 472 E N 0.000 120.205 120.200 0.008 0.000 2.725 472 E HA 0.000 4.354 4.350 0.006 0.000 0.291 472 E CA 0.000 56.404 56.400 0.006 0.000 0.976 472 E CB 0.000 29.703 29.700 0.005 0.000 0.812 472 E HN 0.000 nan 8.360 nan 0.000 0.440