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 1zkq_1_A DATA FIRST_RESID 37 DATA SEQUENCE QQSFDLLVIG GGSGGLACAK EAAQLGKKVA VADYVEPSPR GTKWGLGGTC DATA SEQUENCE VNVGCIPKKL MHQAALLGGM IRDAHHYGWE VAQPVQHNWK TMAEAVQNHV DATA SEQUENCE KSLNWGHRVQ LQDRKVKYFN IKASFVDEHT VRGVDKGGKA TLLSAEHIVI DATA SEQUENCE ATGGRPRYPT QVKGALEYGI TSDDIFWLKE SPGKTLVVGA SYVALECAGF DATA SEQUENCE LTGIGLDTTV MMRSIPLRGF DQQMSSLVTE HMESHGTQFL KGCVPSHIKK DATA SEQUENCE LPTNQLQVTW EDHASGKEDT GTFDTVLWAI GRVPETRTLN LEKAGISTNP DATA SEQUENCE KNQKIIVDAQ EATSVPHIYA IGDVAEGRPE LTPTAIKAGK LLAQRLFGKS DATA SEQUENCE STLMDYSNVP TTVFTPLEYG CVGLSEEEAV ALHGQEHVEV YHAYYKPLEF DATA SEQUENCE TVADRDASQC YIKMVCMREP PQLVLGLHFL GPNAGEVTQG FALGIKCGAS DATA SEQUENCE YAQVMQTVGI HPTCSEEVVK LHISKRSGLE PT 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 37 Q HA 0.000 nan 4.340 nan 0.000 0.214 37 Q C 0.000 175.970 176.000 -0.051 0.000 1.003 37 Q CA 0.000 55.840 55.803 0.062 0.000 1.022 37 Q CB 0.000 28.854 28.738 0.194 0.000 1.108 38 Q N 0.997 120.704 119.800 -0.156 0.000 2.306 38 Q HA 0.391 4.731 4.340 0.000 0.000 0.175 38 Q C 0.116 175.875 176.000 -0.402 0.000 1.107 38 Q CA 0.086 55.751 55.803 -0.230 0.000 1.170 38 Q CB 0.061 28.660 28.738 -0.231 0.000 1.376 38 Q HN 0.586 nan 8.270 nan 0.000 0.618 39 S N -1.240 114.246 115.700 -0.357 0.000 2.707 39 S HA 0.739 5.209 4.470 0.000 0.000 0.276 39 S C -0.597 173.664 174.600 -0.566 0.000 1.179 39 S CA -0.678 57.355 58.200 -0.278 0.000 0.992 39 S CB 0.442 63.608 63.200 -0.057 0.000 1.030 39 S HN 0.459 nan 8.310 nan 0.000 0.554 40 F N -0.799 119.192 119.950 0.067 0.000 2.629 40 F HA 0.422 4.949 4.527 -0.000 0.000 0.316 40 F C 0.932 176.789 175.800 0.096 0.000 1.081 40 F CA -1.131 56.916 58.000 0.077 0.000 0.954 40 F CB 1.312 40.369 39.000 0.095 0.000 1.337 40 F HN 0.471 nan 8.300 nan 0.000 0.474 41 D N 0.462 121.022 120.400 0.267 0.000 2.117 41 D HA -0.058 4.582 4.640 0.000 0.000 0.197 41 D C 0.109 176.614 176.300 0.342 0.000 0.987 41 D CA 1.722 55.856 54.000 0.223 0.000 0.829 41 D CB 0.324 41.147 40.800 0.038 0.000 0.961 41 D HN 0.158 nan 8.370 nan 0.000 0.460 42 L N 0.562 121.952 121.223 0.279 0.000 2.431 42 L HA 0.399 4.739 4.340 0.000 0.000 0.266 42 L C -1.663 175.324 176.870 0.195 0.000 0.978 42 L CA -0.673 54.349 54.840 0.303 0.000 0.822 42 L CB 2.586 44.825 42.059 0.300 0.000 1.310 42 L HN -0.199 nan 8.230 nan 0.000 0.409 43 L N 6.235 127.576 121.223 0.196 0.000 2.356 43 L HA 0.695 5.035 4.340 0.000 0.000 0.277 43 L C -1.719 175.211 176.870 0.101 0.000 0.996 43 L CA -0.554 54.335 54.840 0.082 0.000 0.822 43 L CB 2.034 44.157 42.059 0.106 0.000 1.256 43 L HN 0.510 nan 8.230 nan 0.000 0.413 44 V N 6.483 126.428 119.914 0.052 0.000 2.409 44 V HA 0.430 4.550 4.120 0.000 0.000 0.291 44 V C 0.299 176.422 176.094 0.048 0.000 1.020 44 V CA -0.471 61.870 62.300 0.069 0.000 0.848 44 V CB 1.915 33.779 31.823 0.068 0.000 0.990 44 V HN 0.595 nan 8.190 nan 0.000 0.430 45 I N 4.814 125.409 120.570 0.042 0.000 2.301 45 I HA 0.656 4.826 4.170 0.000 0.000 0.292 45 I C 0.771 176.910 176.117 0.037 0.000 1.046 45 I CA 0.067 61.373 61.300 0.010 0.000 1.282 45 I CB 1.000 38.967 38.000 -0.055 0.000 1.409 45 I HN 0.861 nan 8.210 nan 0.000 0.484 46 G N 3.797 112.631 108.800 0.055 0.000 3.353 46 G HA2 -0.003 3.957 3.960 0.000 0.000 0.682 46 G HA3 -0.003 3.957 3.960 0.000 0.000 0.682 46 G C -0.117 174.822 174.900 0.065 0.000 1.192 46 G CA -0.608 44.532 45.100 0.068 0.000 1.111 46 G HN 0.985 nan 8.290 nan 0.000 0.493 47 G N 0.838 109.682 108.800 0.074 0.000 3.714 47 G HA2 0.721 4.681 3.960 0.000 0.000 0.276 47 G HA3 0.721 4.681 3.960 0.000 0.000 0.276 47 G C 0.680 175.558 174.900 -0.036 0.000 1.058 47 G CA 0.696 45.812 45.100 0.026 0.000 1.700 47 G HN 1.321 nan 8.290 nan 0.000 0.605 48 G N -0.048 108.737 108.800 -0.026 0.000 3.251 48 G HA2 0.455 4.415 3.960 0.000 0.000 0.248 48 G HA3 0.455 4.415 3.960 0.000 0.000 0.248 48 G C 1.093 175.962 174.900 -0.052 0.000 1.320 48 G CA 0.270 45.346 45.100 -0.039 0.000 0.982 48 G HN 0.199 nan 8.290 nan 0.000 0.575 49 S N -0.264 115.426 115.700 -0.017 0.000 2.401 49 S HA -0.229 4.241 4.470 0.000 0.000 0.236 49 S C 2.426 177.036 174.600 0.016 0.000 1.058 49 S CA 2.368 60.571 58.200 0.006 0.000 1.151 49 S CB -0.904 62.316 63.200 0.035 0.000 1.049 49 S HN 0.935 nan 8.310 nan 0.000 0.432 50 G N 0.761 109.582 108.800 0.034 0.000 2.414 50 G HA2 0.064 4.024 3.960 0.000 0.000 0.215 50 G HA3 0.064 4.024 3.960 0.000 0.000 0.215 50 G C 1.470 176.392 174.900 0.036 0.000 1.188 50 G CA 0.907 46.033 45.100 0.044 0.000 0.783 50 G HN 0.599 nan 8.290 nan 0.000 0.537 51 G N 1.063 109.883 108.800 0.033 0.000 2.459 51 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 51 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 51 G C 1.824 176.735 174.900 0.018 0.000 1.183 51 G CA 0.835 45.955 45.100 0.034 0.000 0.776 51 G HN 0.400 nan 8.290 nan 0.000 0.552 52 L N 0.678 121.889 121.223 -0.020 0.000 2.127 52 L HA -0.104 4.236 4.340 0.000 0.000 0.211 52 L C 3.373 180.248 176.870 0.010 0.000 1.089 52 L CA 1.016 55.834 54.840 -0.036 0.000 0.757 52 L CB -0.445 41.521 42.059 -0.154 0.000 0.899 52 L HN 0.335 nan 8.230 nan 0.000 0.434 53 A N -0.998 121.833 122.820 0.018 0.000 1.897 53 A HA -0.232 4.088 4.320 0.000 0.000 0.215 53 A C 2.476 180.082 177.584 0.037 0.000 1.181 53 A CA 1.558 53.615 52.037 0.033 0.000 0.620 53 A CB -1.151 17.867 19.000 0.030 0.000 0.821 53 A HN 0.535 nan 8.150 nan 0.000 0.443 54 C N -0.723 118.600 119.300 0.038 0.000 2.432 54 C HA 0.061 4.521 4.460 0.000 0.000 0.277 54 C C 3.203 178.237 174.990 0.073 0.000 1.249 54 C CA 1.268 60.316 59.018 0.049 0.000 1.725 54 C CB -1.291 26.476 27.740 0.046 0.000 2.028 54 C HN 0.667 nan 8.230 nan 0.000 0.477 55 A N 0.488 123.344 122.820 0.060 0.000 1.851 55 A HA -0.204 4.116 4.320 0.000 0.000 0.216 55 A C 2.174 179.786 177.584 0.046 0.000 1.195 55 A CA 2.042 54.112 52.037 0.055 0.000 0.622 55 A CB -0.724 18.300 19.000 0.040 0.000 0.831 55 A HN 0.744 nan 8.150 nan 0.000 0.444 56 K N -0.719 119.706 120.400 0.041 0.000 2.113 56 K HA -0.233 4.088 4.320 0.000 0.000 0.208 56 K C 2.115 178.738 176.600 0.038 0.000 1.047 56 K CA 1.801 58.111 56.287 0.038 0.000 0.928 56 K CB -0.123 32.403 32.500 0.044 0.000 0.716 56 K HN 0.601 nan 8.250 nan 0.000 0.446 57 E N 0.767 120.998 120.200 0.050 0.000 2.046 57 E HA -0.111 4.239 4.350 0.000 0.000 0.190 57 E C 1.871 178.519 176.600 0.081 0.000 0.982 57 E CA 1.281 57.716 56.400 0.059 0.000 0.800 57 E CB -0.125 29.612 29.700 0.062 0.000 0.756 57 E HN 0.284 nan 8.360 nan 0.000 0.449 58 A N 0.889 123.779 122.820 0.117 0.000 1.908 58 A HA -0.117 4.203 4.320 0.000 0.000 0.218 58 A C 2.433 179.968 177.584 -0.082 0.000 1.181 58 A CA 2.115 54.207 52.037 0.092 0.000 0.627 58 A CB -1.080 18.012 19.000 0.153 0.000 0.818 58 A HN 0.395 nan 8.150 nan 0.000 0.445 59 A N -0.948 121.853 122.820 -0.032 0.000 1.972 59 A HA -0.191 4.129 4.320 0.000 0.000 0.219 59 A C 2.057 179.628 177.584 -0.022 0.000 1.169 59 A CA 1.588 53.604 52.037 -0.034 0.000 0.635 59 A CB -0.477 18.523 19.000 0.000 0.000 0.810 59 A HN 0.666 nan 8.150 nan 0.000 0.446 60 Q N -0.924 118.875 119.800 -0.001 0.000 2.378 60 Q HA 0.102 4.442 4.340 0.000 0.000 0.205 60 Q C 0.608 176.611 176.000 0.005 0.000 0.954 60 Q CA 0.225 56.032 55.803 0.007 0.000 0.901 60 Q CB 0.046 28.795 28.738 0.018 0.000 0.981 60 Q HN 0.406 nan 8.270 nan 0.000 0.483 61 L N -0.070 121.152 121.223 -0.002 0.000 2.688 61 L HA 0.174 4.514 4.340 0.000 0.000 0.234 61 L C 0.845 177.689 176.870 -0.043 0.000 1.192 61 L CA 0.714 55.559 54.840 0.008 0.000 0.984 61 L CB -0.652 41.457 42.059 0.083 0.000 1.232 61 L HN 0.334 nan 8.230 nan 0.000 0.465 62 G N 0.488 109.257 108.800 -0.051 0.000 2.198 62 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 62 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 62 G C 0.425 175.265 174.900 -0.101 0.000 1.025 62 G CA 0.272 45.340 45.100 -0.054 0.000 0.769 62 G HN 0.266 nan 8.290 nan 0.000 0.507 63 K N -0.152 120.134 120.400 -0.191 0.000 2.156 63 K HA 0.483 4.803 4.320 0.000 0.000 0.254 63 K C 0.199 176.719 176.600 -0.134 0.000 0.950 63 K CA -0.950 55.174 56.287 -0.271 0.000 0.849 63 K CB 1.196 33.256 32.500 -0.733 0.000 1.100 63 K HN -0.014 nan 8.250 nan 0.000 0.434 64 K N 2.030 122.408 120.400 -0.038 0.000 2.292 64 K HA 0.248 4.568 4.320 0.000 0.000 0.290 64 K C -0.092 176.613 176.600 0.175 0.000 1.083 64 K CA -0.359 55.991 56.287 0.104 0.000 0.918 64 K CB 0.239 32.835 32.500 0.160 0.000 1.089 64 K HN 0.253 nan 8.250 nan 0.000 0.473 65 V N 1.239 121.217 119.914 0.106 0.000 2.732 65 V HA 0.792 4.912 4.120 0.000 0.000 0.310 65 V C -0.011 176.021 176.094 -0.103 0.000 1.053 65 V CA -1.096 61.223 62.300 0.032 0.000 0.957 65 V CB 1.821 33.646 31.823 0.003 0.000 1.018 65 V HN 0.776 nan 8.190 nan 0.000 0.452 66 A N 2.301 124.937 122.820 -0.306 0.000 2.486 66 A HA 0.866 5.186 4.320 0.000 0.000 0.300 66 A C -1.388 176.118 177.584 -0.130 0.000 1.048 66 A CA -0.624 51.155 52.037 -0.430 0.000 0.696 66 A CB 2.130 20.244 19.000 -1.477 0.000 1.278 66 A HN 1.082 nan 8.150 nan 0.000 0.405 67 V N 1.035 120.990 119.914 0.070 0.000 2.760 67 V HA 0.835 4.955 4.120 0.000 0.000 0.309 67 V C -0.462 175.773 176.094 0.235 0.000 1.077 67 V CA 0.119 62.494 62.300 0.124 0.000 0.910 67 V CB 1.768 33.667 31.823 0.128 0.000 1.008 67 V HN 1.932 nan 8.190 nan 0.000 0.424 68 A N 4.312 127.219 122.820 0.146 0.000 2.318 68 A HA 0.823 5.143 4.320 0.000 0.000 0.317 68 A C -1.070 176.596 177.584 0.138 0.000 1.159 68 A CA -0.441 51.672 52.037 0.127 0.000 0.799 68 A CB 1.328 20.345 19.000 0.028 0.000 1.194 68 A HN 0.945 nan 8.150 nan 0.000 0.479 69 D N 0.589 121.106 120.400 0.194 0.000 2.788 69 D HA 0.494 5.134 4.640 0.000 0.000 0.247 69 D C -1.800 174.626 176.300 0.210 0.000 1.236 69 D CA -0.027 54.095 54.000 0.204 0.000 0.898 69 D CB 0.976 41.929 40.800 0.254 0.000 1.401 69 D HN 0.407 nan 8.370 nan 0.000 0.549 70 Y N 3.649 123.954 120.300 0.010 0.000 2.391 70 Y HA 0.507 5.057 4.550 -0.000 0.000 0.341 70 Y C -1.332 174.515 175.900 -0.088 0.000 0.965 70 Y CA -0.903 57.172 58.100 -0.041 0.000 1.067 70 Y CB 1.775 40.200 38.460 -0.057 0.000 1.199 70 Y HN 0.206 nan 8.280 nan 0.000 0.450 71 V N 6.102 125.555 119.914 -0.768 0.000 2.221 71 V HA 0.141 4.261 4.120 0.000 0.000 0.258 71 V C -0.151 175.401 176.094 -0.902 0.000 1.179 71 V CA -0.652 61.189 62.300 -0.766 0.000 1.022 71 V CB 0.106 31.347 31.823 -0.970 0.000 1.228 71 V HN 0.704 nan 8.190 nan 0.000 0.487 72 E N 6.782 126.656 120.200 -0.543 0.000 2.498 72 E HA 0.096 4.446 4.350 0.000 0.000 0.252 72 E C -2.225 174.179 176.600 -0.326 0.000 1.025 72 E CA -1.073 55.164 56.400 -0.272 0.000 0.938 72 E CB 0.435 30.143 29.700 0.013 0.000 0.947 72 E HN 0.401 nan 8.360 nan 0.000 0.478 73 P HA -0.060 nan 4.420 nan 0.000 0.271 73 P C -0.876 176.356 177.300 -0.113 0.000 1.228 73 P CA 0.029 62.960 63.100 -0.283 0.000 0.797 73 P CB 0.467 32.054 31.700 -0.189 0.000 0.914 74 S N 0.230 115.920 115.700 -0.017 0.000 2.652 74 S HA 0.336 4.806 4.470 0.000 0.000 0.270 74 S C -1.798 172.852 174.600 0.084 0.000 1.243 74 S CA -1.072 57.198 58.200 0.116 0.000 0.999 74 S CB 0.442 63.792 63.200 0.250 0.000 0.973 74 S HN 0.208 nan 8.310 nan 0.000 0.544 75 P HA -0.109 nan 4.420 nan 0.000 0.217 75 P C 1.392 178.719 177.300 0.044 0.000 1.151 75 P CA 1.102 64.199 63.100 -0.005 0.000 0.849 75 P CB 0.060 31.668 31.700 -0.154 0.000 0.787 76 R N -1.178 119.398 120.500 0.127 0.000 2.276 76 R HA 0.177 4.517 4.340 0.000 0.000 0.203 76 R C 1.028 177.383 176.300 0.091 0.000 1.017 76 R CA 0.972 57.148 56.100 0.126 0.000 1.010 76 R CB -0.872 29.536 30.300 0.180 0.000 0.900 76 R HN 0.211 nan 8.270 nan 0.000 0.469 77 G N -0.358 108.483 108.800 0.068 0.000 2.167 77 G HA2 -0.212 3.748 3.960 0.000 0.000 0.194 77 G HA3 -0.212 3.748 3.960 0.000 0.000 0.194 77 G C -0.199 174.712 174.900 0.018 0.000 1.027 77 G CA 0.204 45.321 45.100 0.028 0.000 0.717 77 G HN 0.304 nan 8.290 nan 0.000 0.501 78 T N 0.188 114.776 114.554 0.056 0.000 2.907 78 T HA 0.689 5.039 4.350 0.000 0.000 0.284 78 T C 0.087 174.715 174.700 -0.120 0.000 1.004 78 T CA 0.018 62.152 62.100 0.056 0.000 1.063 78 T CB 2.355 71.384 68.868 0.267 0.000 0.992 78 T HN 0.476 nan 8.240 nan 0.000 0.483 79 K N 0.947 121.189 120.400 -0.263 0.000 2.555 79 K HA 0.597 4.917 4.320 0.000 0.000 0.279 79 K C -1.858 174.460 176.600 -0.471 0.000 0.986 79 K CA -0.945 54.962 56.287 -0.634 0.000 0.880 79 K CB 1.972 34.167 32.500 -0.508 0.000 1.474 79 K HN 0.775 nan 8.250 nan 0.000 0.433 80 W N -0.391 120.698 121.300 -0.352 0.000 2.923 80 W HA 0.629 5.289 4.660 -0.000 0.000 0.373 80 W C -0.358 176.041 176.519 -0.200 0.000 1.205 80 W CA -0.992 56.141 57.345 -0.354 0.000 1.180 80 W CB -0.216 29.083 29.460 -0.268 0.000 1.477 80 W HN 0.651 nan 8.180 nan 0.000 0.581 81 G N 0.390 109.266 108.800 0.127 0.000 2.489 81 G HA2 0.411 4.371 3.960 0.000 0.000 0.271 81 G HA3 0.411 4.371 3.960 0.000 0.000 0.271 81 G C -1.024 173.934 174.900 0.097 0.000 1.427 81 G CA -0.822 44.294 45.100 0.027 0.000 1.057 81 G HN 0.762 nan 8.290 nan 0.000 0.532 82 L N -0.381 120.837 121.223 -0.007 0.000 2.452 82 L HA 0.504 4.844 4.340 0.000 0.000 0.267 82 L C 1.325 178.183 176.870 -0.020 0.000 1.188 82 L CA 1.849 56.667 54.840 -0.037 0.000 0.821 82 L CB 1.128 43.074 42.059 -0.189 0.000 1.102 82 L HN 1.215 nan 8.230 nan 0.000 0.470 83 G N 1.246 109.993 108.800 -0.088 0.000 2.318 83 G HA2 0.268 4.228 3.960 0.000 0.000 0.172 83 G HA3 0.268 4.228 3.960 0.000 0.000 0.172 83 G C 0.725 175.601 174.900 -0.040 0.000 1.002 83 G CA -0.007 45.005 45.100 -0.147 0.000 0.697 83 G HN 1.823 nan 8.290 nan 0.000 0.483 84 G N -1.053 107.787 108.800 0.067 0.000 2.782 84 G HA2 0.075 4.035 3.960 0.000 0.000 0.228 84 G HA3 0.075 4.035 3.960 0.000 0.000 0.228 84 G C 0.848 175.806 174.900 0.097 0.000 1.372 84 G CA 0.594 45.761 45.100 0.111 0.000 0.862 84 G HN 1.166 nan 8.290 nan 0.000 0.547 85 T N -0.404 114.205 114.554 0.091 0.000 2.684 85 T HA -0.237 4.113 4.350 0.000 0.000 0.267 85 T C 2.575 177.231 174.700 -0.073 0.000 1.036 85 T CA 2.815 64.921 62.100 0.010 0.000 1.148 85 T CB -0.704 68.209 68.868 0.074 0.000 0.863 85 T HN 1.307 nan 8.240 nan 0.000 0.436 86 C N 1.327 120.611 119.300 -0.026 0.000 2.398 86 C HA -0.093 4.367 4.460 0.000 0.000 0.276 86 C C 2.740 177.664 174.990 -0.109 0.000 1.222 86 C CA 0.830 59.816 59.018 -0.052 0.000 1.746 86 C CB -1.303 26.435 27.740 -0.004 0.000 2.039 86 C HN 0.382 nan 8.230 nan 0.000 0.470 87 V N 1.695 121.567 119.914 -0.070 0.000 2.358 87 V HA -0.145 3.975 4.120 0.000 0.000 0.246 87 V C 2.348 178.359 176.094 -0.138 0.000 1.047 87 V CA 2.439 64.699 62.300 -0.066 0.000 1.035 87 V CB -0.632 31.202 31.823 0.018 0.000 0.658 87 V HN 0.619 nan 8.190 nan 0.000 0.452 88 N N 0.023 118.609 118.700 -0.189 0.000 2.436 88 N HA 0.012 4.752 4.740 0.000 0.000 0.178 88 N C 1.066 176.346 175.510 -0.384 0.000 1.026 88 N CA 1.605 54.502 53.050 -0.256 0.000 0.880 88 N CB 0.977 39.157 38.487 -0.512 0.000 1.061 88 N HN 0.525 nan 8.380 nan 0.000 0.434 89 V N -2.976 116.662 119.914 -0.459 0.000 3.070 89 V HA 0.626 4.746 4.120 0.000 0.000 0.355 89 V C 0.494 176.443 176.094 -0.243 0.000 1.400 89 V CA -0.378 61.737 62.300 -0.309 0.000 1.170 89 V CB 0.525 32.163 31.823 -0.308 0.000 1.169 89 V HN 0.128 nan 8.190 nan 0.000 0.554 90 G N -0.197 108.382 108.800 -0.368 0.000 3.359 90 G HA2 0.234 4.194 3.960 0.000 0.000 0.187 90 G HA3 0.234 4.194 3.960 0.000 0.000 0.187 90 G C 0.987 175.721 174.900 -0.276 0.000 1.294 90 G CA 0.632 45.609 45.100 -0.204 0.000 0.769 90 G HN 0.242 nan 8.290 nan 0.000 0.733 91 C N 0.502 119.728 119.300 -0.124 0.000 2.336 91 C HA -0.156 4.304 4.460 0.000 0.000 0.272 91 C C 2.765 177.598 174.990 -0.261 0.000 1.160 91 C CA 1.031 59.970 59.018 -0.132 0.000 1.783 91 C CB -1.440 26.259 27.740 -0.069 0.000 2.050 91 C HN 0.446 nan 8.230 nan 0.000 0.443 92 I N 2.158 122.570 120.570 -0.263 0.000 2.076 92 I HA -0.108 4.062 4.170 0.000 0.000 0.237 92 I C -0.244 175.627 176.117 -0.411 0.000 1.059 92 I CA 1.876 63.008 61.300 -0.281 0.000 1.317 92 I CB -2.065 35.833 38.000 -0.171 0.000 1.037 92 I HN 0.174 nan 8.210 nan 0.000 0.398 93 P HA -0.209 nan 4.420 nan 0.000 0.215 93 P C 1.696 178.580 177.300 -0.694 0.000 1.153 93 P CA 1.474 64.120 63.100 -0.756 0.000 0.853 93 P CB -0.127 30.839 31.700 -1.224 0.000 0.788 94 K N 0.910 120.869 120.400 -0.735 0.000 1.991 94 K HA -0.219 4.101 4.320 0.000 0.000 0.212 94 K C 2.060 178.534 176.600 -0.210 0.000 1.049 94 K CA 2.026 58.178 56.287 -0.225 0.000 0.932 94 K CB -0.836 31.651 32.500 -0.022 0.000 0.717 94 K HN -0.161 nan 8.250 nan 0.000 0.441 95 K N 1.051 121.274 120.400 -0.294 0.000 2.113 95 K HA -0.065 4.255 4.320 0.000 0.000 0.208 95 K C 2.270 178.724 176.600 -0.243 0.000 1.047 95 K CA 1.352 57.446 56.287 -0.321 0.000 0.928 95 K CB -0.340 31.879 32.500 -0.468 0.000 0.716 95 K HN 0.262 nan 8.250 nan 0.000 0.446 96 L N -0.349 120.686 121.223 -0.314 0.000 2.109 96 L HA -0.076 4.264 4.340 0.000 0.000 0.207 96 L C 2.426 179.100 176.870 -0.326 0.000 1.086 96 L CA 1.037 55.690 54.840 -0.313 0.000 0.760 96 L CB -0.261 41.588 42.059 -0.349 0.000 0.910 96 L HN 0.280 nan 8.230 nan 0.000 0.437 97 M N -1.385 117.952 119.600 -0.439 0.000 2.288 97 M HA -0.170 4.310 4.480 0.000 0.000 0.266 97 M C 2.279 178.332 176.300 -0.411 0.000 1.072 97 M CA 1.174 56.100 55.300 -0.623 0.000 1.132 97 M CB -0.527 31.321 32.600 -1.252 0.000 1.386 97 M HN 0.282 nan 8.290 nan 0.000 0.432 98 H N 0.635 119.522 119.070 -0.305 0.000 2.321 98 H HA -0.199 4.357 4.556 0.000 0.000 0.300 98 H C 1.991 177.300 175.328 -0.033 0.000 1.087 98 H CA 2.234 58.277 56.048 -0.007 0.000 1.319 98 H CB -0.193 29.607 29.762 0.063 0.000 1.379 98 H HN 0.244 nan 8.280 nan 0.000 0.501 99 Q N 0.652 120.293 119.800 -0.265 0.000 2.181 99 Q HA -0.088 4.252 4.340 0.000 0.000 0.205 99 Q C 2.297 178.169 176.000 -0.213 0.000 0.980 99 Q CA 1.876 57.507 55.803 -0.286 0.000 0.862 99 Q CB -0.757 27.852 28.738 -0.215 0.000 0.905 99 Q HN 0.579 nan 8.270 nan 0.000 0.429 100 A N 0.453 123.164 122.820 -0.182 0.000 1.845 100 A HA -0.056 4.264 4.320 0.000 0.000 0.215 100 A C 2.357 179.881 177.584 -0.101 0.000 1.195 100 A CA 2.202 54.166 52.037 -0.121 0.000 0.616 100 A CB -1.468 17.462 19.000 -0.118 0.000 0.832 100 A HN 0.566 nan 8.150 nan 0.000 0.443 101 A N -0.466 122.309 122.820 -0.076 0.000 1.908 101 A HA -0.105 4.215 4.320 0.000 0.000 0.218 101 A C 2.210 179.768 177.584 -0.043 0.000 1.181 101 A CA 1.646 53.669 52.037 -0.023 0.000 0.627 101 A CB -0.696 18.372 19.000 0.112 0.000 0.818 101 A HN 0.494 nan 8.150 nan 0.000 0.445 102 L N -0.883 120.266 121.223 -0.123 0.000 2.012 102 L HA -0.196 4.144 4.340 0.000 0.000 0.210 102 L C 2.384 179.208 176.870 -0.077 0.000 1.073 102 L CA 0.751 55.518 54.840 -0.122 0.000 0.748 102 L CB -0.509 41.407 42.059 -0.239 0.000 0.891 102 L HN 0.282 nan 8.230 nan 0.000 0.431 103 L N 0.067 121.237 121.223 -0.088 0.000 2.129 103 L HA -0.175 4.165 4.340 0.000 0.000 0.212 103 L C 2.607 179.457 176.870 -0.034 0.000 1.087 103 L CA 2.065 56.866 54.840 -0.065 0.000 0.757 103 L CB -2.098 39.922 42.059 -0.064 0.000 0.896 103 L HN 0.291 nan 8.230 nan 0.000 0.434 104 G N -0.956 107.831 108.800 -0.021 0.000 2.422 104 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 104 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 104 G C 1.624 176.533 174.900 0.015 0.000 1.146 104 G CA 0.734 45.837 45.100 0.004 0.000 0.769 104 G HN 0.498 nan 8.290 nan 0.000 0.547 105 G N 0.530 109.336 108.800 0.009 0.000 2.408 105 G HA2 -0.132 3.828 3.960 0.000 0.000 0.217 105 G HA3 -0.132 3.828 3.960 0.000 0.000 0.217 105 G C 1.816 176.724 174.900 0.013 0.000 1.150 105 G CA 0.911 46.021 45.100 0.017 0.000 0.776 105 G HN 0.258 nan 8.290 nan 0.000 0.542 106 M N 0.436 120.028 119.600 -0.012 0.000 2.202 106 M HA 0.059 4.539 4.480 0.000 0.000 0.262 106 M C 2.505 178.799 176.300 -0.010 0.000 1.063 106 M CA 0.896 56.178 55.300 -0.030 0.000 1.097 106 M CB -0.850 31.710 32.600 -0.066 0.000 1.382 106 M HN 0.252 nan 8.290 nan 0.000 0.413 107 I N -0.766 119.808 120.570 0.006 0.000 2.439 107 I HA -0.247 3.923 4.170 0.000 0.000 0.251 107 I C 2.590 178.767 176.117 0.100 0.000 1.139 107 I CA 0.757 62.073 61.300 0.028 0.000 1.438 107 I CB -0.282 37.730 38.000 0.021 0.000 1.085 107 I HN 0.305 nan 8.210 nan 0.000 0.427 108 R N 0.816 121.388 120.500 0.119 0.000 2.062 108 R HA -0.139 4.201 4.340 0.000 0.000 0.231 108 R C 1.860 178.365 176.300 0.342 0.000 1.136 108 R CA 1.696 57.915 56.100 0.199 0.000 0.948 108 R CB -0.522 29.882 30.300 0.174 0.000 0.845 108 R HN 0.273 nan 8.270 nan 0.000 0.430 109 D N 0.998 121.563 120.400 0.275 0.000 2.190 109 D HA -0.170 4.470 4.640 0.000 0.000 0.200 109 D C 1.773 178.309 176.300 0.394 0.000 0.992 109 D CA 1.488 55.696 54.000 0.346 0.000 0.854 109 D CB -0.302 40.588 40.800 0.151 0.000 0.936 109 D HN 0.264 nan 8.370 nan 0.000 0.462 110 A N 1.111 124.081 122.820 0.251 0.000 1.903 110 A HA -0.294 4.026 4.320 0.000 0.000 0.219 110 A C 2.089 179.932 177.584 0.430 0.000 1.191 110 A CA 2.138 54.344 52.037 0.281 0.000 0.638 110 A CB -1.150 17.923 19.000 0.123 0.000 0.823 110 A HN 0.588 nan 8.150 nan 0.000 0.451 111 H N -1.431 117.781 119.070 0.236 0.000 2.421 111 H HA -0.163 4.393 4.556 0.000 0.000 0.298 111 H C 1.761 177.135 175.328 0.076 0.000 1.087 111 H CA 1.713 57.835 56.048 0.123 0.000 1.330 111 H CB -0.587 29.162 29.762 -0.022 0.000 1.388 111 H HN 0.674 nan 8.280 nan 0.000 0.526 112 H N -0.003 118.834 119.070 -0.387 0.000 2.421 112 H HA -0.117 4.439 4.556 0.000 0.000 0.298 112 H C 1.103 176.337 175.328 -0.158 0.000 1.087 112 H CA 1.315 57.124 56.048 -0.399 0.000 1.330 112 H CB -0.283 29.382 29.762 -0.162 0.000 1.388 112 H HN 0.519 nan 8.280 nan 0.000 0.526 113 Y N -0.223 120.122 120.300 0.075 0.000 2.471 113 Y HA 0.154 4.704 4.550 0.000 0.000 0.286 113 Y C 1.657 177.519 175.900 -0.064 0.000 1.188 113 Y CA 0.246 58.387 58.100 0.069 0.000 1.286 113 Y CB 0.676 39.253 38.460 0.195 0.000 1.072 113 Y HN 0.324 nan 8.280 nan 0.000 0.517 114 G N -1.469 107.345 108.800 0.022 0.000 2.179 114 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 114 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 114 G C -0.389 174.399 174.900 -0.186 0.000 0.990 114 G CA -0.681 44.341 45.100 -0.130 0.000 0.646 114 G HN 0.322 nan 8.290 nan 0.000 0.517 115 W N 2.048 123.398 121.300 0.082 0.000 2.416 115 W HA 0.590 5.250 4.660 0.000 0.000 0.318 115 W C 0.675 177.242 176.519 0.081 0.000 1.150 115 W CA -0.626 56.762 57.345 0.072 0.000 1.392 115 W CB 0.537 30.038 29.460 0.069 0.000 1.311 115 W HN 0.178 nan 8.180 nan 0.000 0.436 116 E N 2.608 122.942 120.200 0.223 0.000 2.323 116 E HA 0.047 4.397 4.350 0.000 0.000 0.313 116 E C -0.034 176.664 176.600 0.163 0.000 1.236 116 E CA -0.268 56.228 56.400 0.160 0.000 1.333 116 E CB 0.196 29.949 29.700 0.089 0.000 1.138 116 E HN 0.225 nan 8.360 nan 0.000 0.492 117 V N 1.429 121.452 119.914 0.182 0.000 2.465 117 V HA 0.428 4.548 4.120 0.000 0.000 0.279 117 V C 0.146 176.284 176.094 0.072 0.000 1.045 117 V CA -0.646 61.730 62.300 0.126 0.000 0.938 117 V CB 1.132 33.029 31.823 0.123 0.000 0.986 117 V HN 0.483 nan 8.190 nan 0.000 0.467 118 A N 6.328 129.178 122.820 0.049 0.000 2.535 118 A HA 0.175 4.495 4.320 0.000 0.000 0.290 118 A C 1.236 178.829 177.584 0.015 0.000 1.270 118 A CA -0.095 51.956 52.037 0.024 0.000 0.937 118 A CB -0.048 18.966 19.000 0.022 0.000 1.096 118 A HN 0.983 nan 8.150 nan 0.000 0.534 119 Q N 1.548 121.344 119.800 -0.006 0.000 2.156 119 Q HA -0.158 4.182 4.340 0.000 0.000 0.211 119 Q C -1.110 174.889 176.000 -0.001 0.000 0.995 119 Q CA 1.756 57.549 55.803 -0.016 0.000 0.877 119 Q CB -1.816 26.882 28.738 -0.066 0.000 0.920 119 Q HN 0.642 nan 8.270 nan 0.000 0.416 120 P HA 0.033 nan 4.420 nan 0.000 0.252 120 P C -1.138 176.173 177.300 0.018 0.000 1.694 120 P CA 0.200 63.305 63.100 0.008 0.000 1.163 120 P CB 0.016 31.719 31.700 0.004 0.000 1.934 121 V N 3.669 123.598 119.914 0.026 0.000 2.328 121 V HA 0.171 4.291 4.120 0.000 0.000 0.278 121 V C 0.622 176.749 176.094 0.055 0.000 1.021 121 V CA -0.501 61.821 62.300 0.036 0.000 0.838 121 V CB 1.081 32.925 31.823 0.036 0.000 0.999 121 V HN 0.343 nan 8.190 nan 0.000 0.447 122 Q N 2.949 122.783 119.800 0.056 0.000 2.396 122 Q HA 0.374 4.714 4.340 0.000 0.000 0.221 122 Q C -0.423 175.649 176.000 0.120 0.000 1.025 122 Q CA -0.337 55.514 55.803 0.081 0.000 0.946 122 Q CB 1.066 29.838 28.738 0.058 0.000 1.224 122 Q HN 0.750 nan 8.270 nan 0.000 0.539 123 H N 1.371 120.468 119.070 0.045 0.000 2.782 123 H HA 0.286 4.842 4.556 0.000 0.000 0.347 123 H C -1.709 173.666 175.328 0.080 0.000 1.038 123 H CA -0.815 55.264 56.048 0.051 0.000 1.255 123 H CB 1.228 31.026 29.762 0.059 0.000 1.623 123 H HN 0.750 nan 8.280 nan 0.000 0.525 124 N N 4.728 123.198 118.700 -0.384 0.000 2.372 124 N HA 0.011 4.751 4.740 0.000 0.000 0.285 124 N C 0.868 176.292 175.510 -0.144 0.000 1.008 124 N CA -0.867 52.114 53.050 -0.114 0.000 0.880 124 N CB 0.819 39.283 38.487 -0.039 0.000 1.239 124 N HN 0.671 nan 8.380 nan 0.000 0.484 125 W N 4.050 125.342 121.300 -0.012 0.000 2.331 125 W HA -0.150 4.510 4.660 -0.000 0.000 0.291 125 W C 0.603 177.132 176.519 0.016 0.000 1.214 125 W CA 1.354 58.744 57.345 0.075 0.000 1.228 125 W CB 0.147 29.676 29.460 0.115 0.000 1.135 125 W HN 0.680 nan 8.180 nan 0.000 0.537 126 K N -0.436 120.078 120.400 0.190 0.000 2.002 126 K HA -0.157 4.163 4.320 0.000 0.000 0.209 126 K C 2.067 178.640 176.600 -0.045 0.000 1.048 126 K CA 2.461 58.811 56.287 0.104 0.000 0.930 126 K CB -0.585 31.983 32.500 0.113 0.000 0.714 126 K HN -0.033 nan 8.250 nan 0.000 0.438 127 T N 1.868 116.369 114.554 -0.088 0.000 2.652 127 T HA -0.223 4.127 4.350 0.000 0.000 0.267 127 T C 1.753 176.348 174.700 -0.174 0.000 1.039 127 T CA 1.685 63.714 62.100 -0.119 0.000 1.153 127 T CB -0.202 68.581 68.868 -0.142 0.000 0.863 127 T HN 0.275 nan 8.240 nan 0.000 0.428 128 M N 1.151 120.601 119.600 -0.250 0.000 2.082 128 M HA -0.187 4.293 4.480 0.000 0.000 0.258 128 M C 2.518 178.607 176.300 -0.352 0.000 1.071 128 M CA 2.261 57.393 55.300 -0.281 0.000 1.103 128 M CB -0.469 31.970 32.600 -0.269 0.000 1.307 128 M HN 0.305 nan 8.290 nan 0.000 0.409 129 A N -0.004 122.518 122.820 -0.497 0.000 1.892 129 A HA -0.282 4.038 4.320 0.000 0.000 0.218 129 A C 1.834 179.287 177.584 -0.217 0.000 1.188 129 A CA 2.370 54.144 52.037 -0.438 0.000 0.631 129 A CB -1.123 17.634 19.000 -0.404 0.000 0.822 129 A HN 0.717 nan 8.150 nan 0.000 0.447 130 E N 0.238 120.361 120.200 -0.128 0.000 2.049 130 E HA -0.166 4.184 4.350 0.000 0.000 0.198 130 E C 2.052 178.612 176.600 -0.067 0.000 1.007 130 E CA 2.150 58.520 56.400 -0.049 0.000 0.809 130 E CB -0.623 29.063 29.700 -0.024 0.000 0.749 130 E HN 0.493 nan 8.360 nan 0.000 0.450 131 A N 0.028 122.787 122.820 -0.102 0.000 1.883 131 A HA -0.167 4.153 4.320 0.000 0.000 0.217 131 A C 2.600 180.117 177.584 -0.111 0.000 1.186 131 A CA 1.935 53.915 52.037 -0.094 0.000 0.624 131 A CB -0.940 17.991 19.000 -0.116 0.000 0.822 131 A HN 0.216 nan 8.150 nan 0.000 0.444 132 V N -0.287 119.512 119.914 -0.191 0.000 2.295 132 V HA -0.330 3.790 4.120 0.000 0.000 0.246 132 V C 2.679 178.642 176.094 -0.217 0.000 1.049 132 V CA 2.367 64.526 62.300 -0.235 0.000 1.024 132 V CB -0.952 30.666 31.823 -0.343 0.000 0.648 132 V HN 0.650 nan 8.190 nan 0.000 0.447 133 Q N -0.063 119.588 119.800 -0.249 0.000 2.096 133 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 133 Q C 2.230 178.208 176.000 -0.037 0.000 0.982 133 Q CA 1.805 57.465 55.803 -0.239 0.000 0.850 133 Q CB -0.250 28.419 28.738 -0.116 0.000 0.901 133 Q HN 0.626 nan 8.270 nan 0.000 0.422 134 N N -0.238 118.471 118.700 0.014 0.000 2.166 134 N HA -0.194 4.546 4.740 0.000 0.000 0.186 134 N C 1.558 177.099 175.510 0.051 0.000 1.019 134 N CA 1.136 54.230 53.050 0.073 0.000 0.856 134 N CB -0.448 38.085 38.487 0.077 0.000 0.993 134 N HN 0.384 nan 8.380 nan 0.000 0.426 135 H N 0.933 119.967 119.070 -0.060 0.000 2.357 135 H HA 0.020 4.576 4.556 -0.000 0.000 0.301 135 H C 1.796 177.069 175.328 -0.092 0.000 1.082 135 H CA 1.042 57.046 56.048 -0.073 0.000 1.342 135 H CB 0.046 29.739 29.762 -0.115 0.000 1.389 135 H HN -0.093 nan 8.280 nan 0.000 0.511 136 V N 1.706 121.566 119.914 -0.089 0.000 2.324 136 V HA -0.279 3.841 4.120 0.000 0.000 0.250 136 V C 2.520 178.515 176.094 -0.165 0.000 1.060 136 V CA 2.179 64.403 62.300 -0.127 0.000 1.042 136 V CB -0.402 31.338 31.823 -0.137 0.000 0.650 136 V HN 0.410 nan 8.190 nan 0.000 0.450 137 K N -0.005 120.298 120.400 -0.161 0.000 2.097 137 K HA -0.118 4.202 4.320 0.000 0.000 0.205 137 K C 2.344 178.697 176.600 -0.412 0.000 1.050 137 K CA 1.573 57.611 56.287 -0.415 0.000 0.938 137 K CB -0.352 31.929 32.500 -0.365 0.000 0.718 137 K HN 0.424 nan 8.250 nan 0.000 0.442 138 S N 1.777 117.388 115.700 -0.149 0.000 2.387 138 S HA -0.131 4.339 4.470 0.000 0.000 0.230 138 S C 1.911 176.416 174.600 -0.157 0.000 1.035 138 S CA 1.174 59.344 58.200 -0.049 0.000 1.014 138 S CB -0.293 62.792 63.200 -0.191 0.000 0.836 138 S HN 0.222 nan 8.310 nan 0.000 0.466 139 L N 1.351 122.408 121.223 -0.278 0.000 2.156 139 L HA -0.066 4.274 4.340 0.000 0.000 0.208 139 L C 2.224 179.005 176.870 -0.148 0.000 1.095 139 L CA 0.675 55.371 54.840 -0.241 0.000 0.770 139 L CB -0.718 41.226 42.059 -0.192 0.000 0.914 139 L HN 0.275 nan 8.230 nan 0.000 0.439 140 N N -0.046 118.513 118.700 -0.235 0.000 2.039 140 N HA -0.204 4.536 4.740 0.000 0.000 0.193 140 N C 1.673 177.046 175.510 -0.229 0.000 1.044 140 N CA 1.465 54.345 53.050 -0.284 0.000 0.847 140 N CB -0.363 37.749 38.487 -0.624 0.000 1.030 140 N HN 0.361 nan 8.380 nan 0.000 0.422 141 W N 1.332 122.622 121.300 -0.017 0.000 2.363 141 W HA 0.066 4.726 4.660 0.000 0.000 0.296 141 W C 2.497 178.977 176.519 -0.066 0.000 1.212 141 W CA 0.898 58.221 57.345 -0.037 0.000 1.260 141 W CB -1.441 27.998 29.460 -0.034 0.000 1.131 141 W HN 0.149 nan 8.180 nan 0.000 0.530 142 G N -0.558 108.272 108.800 0.050 0.000 2.442 142 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 142 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 142 G C 1.413 176.237 174.900 -0.127 0.000 1.141 142 G CA 1.178 46.231 45.100 -0.078 0.000 0.763 142 G HN 0.265 nan 8.290 nan 0.000 0.554 143 H N 0.403 119.449 119.070 -0.041 0.000 2.343 143 H HA 0.100 4.656 4.556 0.000 0.000 0.303 143 H C 2.881 178.165 175.328 -0.073 0.000 1.068 143 H CA 1.029 57.039 56.048 -0.064 0.000 1.359 143 H CB -0.047 29.657 29.762 -0.096 0.000 1.402 143 H HN 0.298 nan 8.280 nan 0.000 0.515 144 R N 0.209 120.737 120.500 0.047 0.000 2.091 144 R HA -0.101 4.239 4.340 0.000 0.000 0.238 144 R C 2.415 178.727 176.300 0.021 0.000 1.136 144 R CA 1.288 57.379 56.100 -0.016 0.000 0.959 144 R CB -0.330 29.985 30.300 0.025 0.000 0.856 144 R HN 0.073 nan 8.270 nan 0.000 0.437 145 V N 1.108 121.049 119.914 0.045 0.000 2.407 145 V HA -0.257 3.863 4.120 0.000 0.000 0.248 145 V C 2.243 178.346 176.094 0.015 0.000 1.055 145 V CA 1.729 64.046 62.300 0.028 0.000 1.049 145 V CB -0.447 31.391 31.823 0.025 0.000 0.662 145 V HN 0.379 nan 8.190 nan 0.000 0.455 146 Q N -0.745 119.064 119.800 0.015 0.000 2.123 146 Q HA -0.059 4.281 4.340 0.000 0.000 0.199 146 Q C 2.288 178.303 176.000 0.025 0.000 0.966 146 Q CA 1.202 57.017 55.803 0.019 0.000 0.845 146 Q CB -0.085 28.670 28.738 0.028 0.000 0.907 146 Q HN 0.544 nan 8.270 nan 0.000 0.439 147 L N 0.290 121.526 121.223 0.022 0.000 2.156 147 L HA -0.179 4.161 4.340 0.000 0.000 0.208 147 L C 2.316 179.195 176.870 0.014 0.000 1.095 147 L CA 0.972 55.819 54.840 0.012 0.000 0.770 147 L CB -0.192 41.854 42.059 -0.022 0.000 0.914 147 L HN 0.297 nan 8.230 nan 0.000 0.439 148 Q N -0.216 119.591 119.800 0.013 0.000 2.049 148 Q HA -0.190 4.150 4.340 0.000 0.000 0.198 148 Q C 1.660 177.669 176.000 0.015 0.000 0.971 148 Q CA 1.428 57.241 55.803 0.016 0.000 0.833 148 Q CB -0.090 28.658 28.738 0.016 0.000 0.896 148 Q HN 0.414 nan 8.270 nan 0.000 0.434 149 D N 0.368 120.776 120.400 0.013 0.000 2.218 149 D HA -0.106 4.534 4.640 0.000 0.000 0.204 149 D C 1.311 177.619 176.300 0.012 0.000 0.976 149 D CA 1.061 55.068 54.000 0.011 0.000 0.853 149 D CB -0.001 40.803 40.800 0.007 0.000 0.939 149 D HN 0.137 nan 8.370 nan 0.000 0.481 150 R N 0.118 120.627 120.500 0.015 0.000 2.334 150 R HA 0.162 4.502 4.340 0.000 0.000 0.216 150 R C -0.234 176.078 176.300 0.020 0.000 0.905 150 R CA -0.166 55.943 56.100 0.016 0.000 1.064 150 R CB 0.317 30.627 30.300 0.017 0.000 1.046 150 R HN -0.016 nan 8.270 nan 0.000 0.508 151 K N 0.672 121.087 120.400 0.024 0.000 5.393 151 K HA -0.126 4.194 4.320 0.000 0.000 0.381 151 K C -1.357 175.270 176.600 0.045 0.000 1.015 151 K CA 0.145 56.452 56.287 0.033 0.000 1.190 151 K CB -0.968 31.553 32.500 0.035 0.000 1.752 151 K HN -0.041 nan 8.250 nan 0.000 0.409 152 V N 3.063 123.001 119.914 0.040 0.000 2.447 152 V HA 0.149 4.269 4.120 0.000 0.000 0.292 152 V C 0.168 176.280 176.094 0.030 0.000 1.021 152 V CA -0.864 61.462 62.300 0.042 0.000 0.850 152 V CB 1.719 33.560 31.823 0.031 0.000 1.005 152 V HN 0.356 nan 8.190 nan 0.000 0.426 153 K N 3.875 124.293 120.400 0.030 0.000 2.436 153 K HA 0.131 4.451 4.320 0.000 0.000 0.282 153 K C -0.799 175.653 176.600 -0.247 0.000 1.044 153 K CA 0.017 56.225 56.287 -0.132 0.000 1.028 153 K CB 0.401 32.894 32.500 -0.011 0.000 0.919 153 K HN 0.627 nan 8.250 nan 0.000 0.474 154 Y N 4.782 124.810 120.300 -0.454 0.000 2.385 154 Y HA 0.264 4.814 4.550 -0.000 0.000 0.341 154 Y C -1.352 174.290 175.900 -0.429 0.000 0.965 154 Y CA -1.407 56.516 58.100 -0.295 0.000 1.180 154 Y CB 0.305 38.687 38.460 -0.130 0.000 1.139 154 Y HN 0.336 nan 8.280 nan 0.000 0.502 155 F N 5.300 124.988 119.950 -0.436 0.000 2.311 155 F HA 0.273 4.800 4.527 0.000 0.000 0.371 155 F C 0.699 176.151 175.800 -0.581 0.000 1.083 155 F CA -0.774 56.957 58.000 -0.447 0.000 1.113 155 F CB 0.695 39.581 39.000 -0.189 0.000 1.349 155 F HN 0.585 nan 8.300 nan 0.000 0.470 156 N N 4.864 123.165 118.700 -0.664 0.000 2.950 156 N HA 0.196 4.936 4.740 0.000 0.000 0.313 156 N C -0.840 174.652 175.510 -0.029 0.000 1.213 156 N CA 0.117 52.977 53.050 -0.316 0.000 1.184 156 N CB -0.067 38.309 38.487 -0.184 0.000 1.454 156 N HN 0.514 nan 8.380 nan 0.000 0.532 157 I N 2.093 122.657 120.570 -0.010 0.000 2.533 157 I HA 0.137 4.307 4.170 0.000 0.000 0.290 157 I C -0.330 175.747 176.117 -0.066 0.000 1.056 157 I CA -1.090 60.172 61.300 -0.063 0.000 1.057 157 I CB 2.106 40.074 38.000 -0.053 0.000 1.240 157 I HN 0.235 nan 8.210 nan 0.000 0.423 158 K N 5.956 126.220 120.400 -0.228 0.000 2.292 158 K HA 0.703 5.023 4.320 0.000 0.000 0.290 158 K C -0.167 176.345 176.600 -0.147 0.000 1.083 158 K CA -0.395 55.808 56.287 -0.140 0.000 0.918 158 K CB 1.228 33.575 32.500 -0.255 0.000 1.089 158 K HN 0.598 nan 8.250 nan 0.000 0.473 159 A N 3.173 125.922 122.820 -0.119 0.000 2.310 159 A HA 0.465 4.785 4.320 0.000 0.000 0.260 159 A C -0.304 177.161 177.584 -0.197 0.000 1.112 159 A CA -0.078 51.857 52.037 -0.170 0.000 0.804 159 A CB 0.172 19.047 19.000 -0.209 0.000 1.081 159 A HN 1.043 nan 8.150 nan 0.000 0.499 160 S N -1.377 114.175 115.700 -0.247 0.000 2.602 160 S HA 0.492 4.962 4.470 0.000 0.000 0.301 160 S C -0.930 173.564 174.600 -0.178 0.000 1.091 160 S CA -0.802 57.267 58.200 -0.219 0.000 0.895 160 S CB -0.236 62.904 63.200 -0.100 0.000 1.090 160 S HN 0.537 nan 8.310 nan 0.000 0.449 161 F N 1.859 121.805 119.950 -0.007 0.000 2.496 161 F HA 0.441 4.968 4.527 0.000 0.000 0.344 161 F C 1.841 177.640 175.800 -0.002 0.000 1.155 161 F CA 0.325 58.323 58.000 -0.003 0.000 1.302 161 F CB 1.094 40.091 39.000 -0.006 0.000 1.159 161 F HN 0.652 nan 8.300 nan 0.000 0.595 162 V N -2.747 117.310 119.914 0.238 0.000 3.137 162 V HA 0.282 4.402 4.120 0.000 0.000 0.236 162 V C -0.032 176.125 176.094 0.104 0.000 1.260 162 V CA 0.712 63.086 62.300 0.125 0.000 1.244 162 V CB 0.424 32.297 31.823 0.084 0.000 1.016 162 V HN 0.748 nan 8.190 nan 0.000 0.477 163 D N -0.107 120.365 120.400 0.120 0.000 2.958 163 D HA 0.187 4.827 4.640 0.000 0.000 0.306 163 D C 0.751 177.065 176.300 0.023 0.000 1.226 163 D CA 0.237 54.279 54.000 0.069 0.000 1.032 163 D CB 1.365 42.216 40.800 0.085 0.000 1.400 163 D HN 0.082 nan 8.370 nan 0.000 0.587 164 E N -1.560 118.663 120.200 0.039 0.000 2.442 164 E HA -0.039 4.311 4.350 0.000 0.000 0.195 164 E C 0.231 176.818 176.600 -0.022 0.000 1.030 164 E CA 0.421 56.793 56.400 -0.047 0.000 0.869 164 E CB 0.061 29.778 29.700 0.029 0.000 0.857 164 E HN 0.407 nan 8.360 nan 0.000 0.505 165 H N -1.614 117.528 119.070 0.119 0.000 3.230 165 H HA 0.299 4.855 4.556 -0.000 0.000 0.259 165 H C -0.962 174.454 175.328 0.147 0.000 1.195 165 H CA 0.003 56.144 56.048 0.154 0.000 1.112 165 H CB 1.425 31.223 29.762 0.059 0.000 1.638 165 H HN -0.116 nan 8.280 nan 0.000 0.624 166 T N 0.554 115.257 114.554 0.249 0.000 2.903 166 T HA 0.612 4.962 4.350 0.000 0.000 0.299 166 T C -0.780 174.053 174.700 0.222 0.000 1.093 166 T CA -0.671 61.546 62.100 0.196 0.000 1.002 166 T CB 2.504 71.450 68.868 0.130 0.000 1.127 166 T HN -0.128 nan 8.240 nan 0.000 0.488 167 V N 1.742 121.731 119.914 0.126 0.000 3.102 167 V HA 0.755 4.875 4.120 0.000 0.000 0.312 167 V C -0.626 175.461 176.094 -0.012 0.000 1.135 167 V CA -1.356 60.973 62.300 0.048 0.000 1.022 167 V CB 2.273 34.059 31.823 -0.062 0.000 1.056 167 V HN 0.952 nan 8.190 nan 0.000 0.436 168 R N 0.744 121.217 120.500 -0.046 0.000 2.686 168 R HA 0.894 5.234 4.340 0.000 0.000 0.286 168 R C -0.452 175.793 176.300 -0.092 0.000 0.969 168 R CA -0.596 55.471 56.100 -0.055 0.000 0.898 168 R CB 2.295 32.577 30.300 -0.032 0.000 1.183 168 R HN 0.963 nan 8.270 nan 0.000 0.456 169 G N 1.242 109.983 108.800 -0.098 0.000 2.660 169 G HA2 0.555 4.515 3.960 0.000 0.000 0.294 169 G HA3 0.555 4.515 3.960 0.000 0.000 0.294 169 G C -1.292 173.532 174.900 -0.126 0.000 1.369 169 G CA -0.730 44.296 45.100 -0.123 0.000 0.912 169 G HN 0.386 nan 8.290 nan 0.000 0.479 170 V N 0.685 120.489 119.914 -0.184 0.000 3.096 170 V HA 0.700 4.820 4.120 0.000 0.000 0.319 170 V C -0.446 175.499 176.094 -0.249 0.000 1.103 170 V CA -0.691 61.489 62.300 -0.200 0.000 1.016 170 V CB 1.913 33.592 31.823 -0.240 0.000 1.090 170 V HN 0.976 nan 8.190 nan 0.000 0.449 171 D N -0.065 120.220 120.400 -0.190 0.000 2.781 171 D HA 0.310 4.950 4.640 0.000 0.000 0.295 171 D C 0.324 176.584 176.300 -0.067 0.000 1.143 171 D CA -0.692 53.228 54.000 -0.133 0.000 1.076 171 D CB 1.302 42.073 40.800 -0.048 0.000 1.444 171 D HN 0.122 nan 8.370 nan 0.000 0.567 172 K N 0.028 120.451 120.400 0.038 0.000 2.052 172 K HA -0.137 4.183 4.320 0.000 0.000 0.215 172 K C 1.748 178.363 176.600 0.024 0.000 1.053 172 K CA 2.057 58.387 56.287 0.071 0.000 0.934 172 K CB -0.900 31.638 32.500 0.063 0.000 0.717 172 K HN 0.700 nan 8.250 nan 0.000 0.450 173 G N -0.090 108.713 108.800 0.005 0.000 3.042 173 G HA2 0.242 4.202 3.960 0.000 0.000 0.212 173 G HA3 0.242 4.202 3.960 0.000 0.000 0.212 173 G C 0.324 175.212 174.900 -0.021 0.000 1.166 173 G CA 0.315 45.413 45.100 -0.003 0.000 0.767 173 G HN 0.458 nan 8.290 nan 0.000 0.546 174 G N 0.092 108.866 108.800 -0.043 0.000 2.434 174 G HA2 -0.179 3.781 3.960 0.000 0.000 0.224 174 G HA3 -0.179 3.781 3.960 0.000 0.000 0.224 174 G C -0.337 174.534 174.900 -0.049 0.000 0.807 174 G CA 0.516 45.577 45.100 -0.065 0.000 1.113 174 G HN 0.692 nan 8.290 nan 0.000 0.327 175 K N 1.402 121.770 120.400 -0.052 0.000 2.589 175 K HA 0.667 4.987 4.320 0.000 0.000 0.253 175 K C 0.612 177.188 176.600 -0.039 0.000 0.974 175 K CA -0.182 56.084 56.287 -0.035 0.000 0.835 175 K CB 1.253 33.742 32.500 -0.018 0.000 1.272 175 K HN 1.420 nan 8.250 nan 0.000 0.444 176 A N 1.719 124.517 122.820 -0.037 0.000 2.504 176 A HA 0.335 4.655 4.320 0.000 0.000 0.242 176 A C -0.047 177.522 177.584 -0.026 0.000 1.100 176 A CA 0.848 52.862 52.037 -0.038 0.000 0.786 176 A CB 0.368 19.350 19.000 -0.031 0.000 1.050 176 A HN 0.689 nan 8.150 nan 0.000 0.512 177 T N 0.076 114.611 114.554 -0.032 0.000 4.266 177 T HA 0.412 4.762 4.350 0.000 0.000 0.368 177 T C -0.728 173.943 174.700 -0.048 0.000 0.992 177 T CA -0.329 61.756 62.100 -0.024 0.000 1.044 177 T CB -0.692 68.172 68.868 -0.006 0.000 1.150 177 T HN 1.529 nan 8.240 nan 0.000 0.470 178 L N 4.019 125.224 121.223 -0.030 0.000 2.513 178 L HA 0.761 5.101 4.340 0.000 0.000 0.272 178 L C -0.923 175.919 176.870 -0.047 0.000 1.187 178 L CA 0.173 54.995 54.840 -0.029 0.000 0.895 178 L CB 0.009 42.061 42.059 -0.012 0.000 1.147 178 L HN 0.537 nan 8.230 nan 0.000 0.483 179 L N 4.552 125.751 121.223 -0.041 0.000 2.470 179 L HA 0.730 5.070 4.340 0.000 0.000 0.268 179 L C -0.227 176.679 176.870 0.061 0.000 0.964 179 L CA -0.272 54.554 54.840 -0.024 0.000 0.839 179 L CB 2.221 44.183 42.059 -0.162 0.000 1.276 179 L HN 1.032 nan 8.230 nan 0.000 0.403 180 S N 2.105 117.882 115.700 0.128 0.000 2.685 180 S HA 1.021 5.491 4.470 0.000 0.000 0.282 180 S C -0.989 173.755 174.600 0.241 0.000 1.159 180 S CA -0.248 58.052 58.200 0.166 0.000 0.833 180 S CB 2.885 66.157 63.200 0.120 0.000 1.151 180 S HN 1.034 nan 8.310 nan 0.000 0.485 181 A N 0.022 122.990 122.820 0.247 0.000 2.569 181 A HA 0.616 4.936 4.320 0.000 0.000 0.292 181 A C 0.236 177.974 177.584 0.256 0.000 1.032 181 A CA -0.143 52.057 52.037 0.271 0.000 0.669 181 A CB 0.353 19.557 19.000 0.339 0.000 1.290 181 A HN 0.890 nan 8.150 nan 0.000 0.422 182 E N -0.314 120.010 120.200 0.207 0.000 2.047 182 E HA -0.102 4.248 4.350 0.000 0.000 0.191 182 E C -0.104 176.501 176.600 0.008 0.000 0.987 182 E CA 1.243 57.683 56.400 0.067 0.000 0.799 182 E CB -0.058 29.611 29.700 -0.052 0.000 0.752 182 E HN 0.730 nan 8.360 nan 0.000 0.449 183 H N -1.062 118.201 119.070 0.322 0.000 2.472 183 H HA 0.465 5.021 4.556 -0.000 0.000 0.338 183 H C -0.612 174.917 175.328 0.334 0.000 1.133 183 H CA -0.463 55.812 56.048 0.380 0.000 1.216 183 H CB 1.711 31.679 29.762 0.343 0.000 1.497 183 H HN -0.011 nan 8.280 nan 0.000 0.500 184 I N 2.397 123.238 120.570 0.451 0.000 2.608 184 I HA 0.349 4.519 4.170 0.000 0.000 0.295 184 I C -0.891 175.429 176.117 0.337 0.000 1.049 184 I CA -1.036 60.466 61.300 0.336 0.000 1.063 184 I CB 2.281 40.466 38.000 0.308 0.000 1.248 184 I HN 0.247 nan 8.210 nan 0.000 0.424 185 V N 6.593 126.659 119.914 0.253 0.000 2.483 185 V HA 0.434 4.554 4.120 0.000 0.000 0.297 185 V C -0.128 176.065 176.094 0.165 0.000 1.027 185 V CA -0.478 61.953 62.300 0.218 0.000 0.855 185 V CB 1.954 33.867 31.823 0.149 0.000 0.995 185 V HN 0.441 nan 8.190 nan 0.000 0.424 186 I N 4.126 124.797 120.570 0.168 0.000 2.297 186 I HA 0.605 4.775 4.170 0.000 0.000 0.291 186 I C 0.633 176.811 176.117 0.102 0.000 1.033 186 I CA -0.141 61.233 61.300 0.124 0.000 1.253 186 I CB 1.329 39.416 38.000 0.145 0.000 1.396 186 I HN 0.677 nan 8.210 nan 0.000 0.476 187 A N 3.668 126.536 122.820 0.081 0.000 3.129 187 A HA 0.253 4.574 4.320 0.000 0.000 0.282 187 A C 0.994 178.620 177.584 0.070 0.000 0.948 187 A CA -0.328 51.755 52.037 0.076 0.000 1.027 187 A CB -0.334 18.708 19.000 0.071 0.000 1.123 187 A HN 0.751 nan 8.150 nan 0.000 0.485 188 T N -2.912 111.682 114.554 0.067 0.000 3.148 188 T HA 0.408 4.758 4.350 0.000 0.000 0.253 188 T C 1.356 176.105 174.700 0.082 0.000 1.134 188 T CA 1.013 63.153 62.100 0.067 0.000 1.051 188 T CB -0.482 68.415 68.868 0.049 0.000 0.959 188 T HN 1.860 nan 8.240 nan 0.000 0.525 189 G N 0.661 109.511 108.800 0.084 0.000 2.574 189 G HA2 0.137 4.098 3.960 0.000 0.000 0.295 189 G HA3 0.137 4.098 3.960 0.000 0.000 0.295 189 G C 0.271 175.227 174.900 0.095 0.000 1.300 189 G CA -0.135 45.020 45.100 0.093 0.000 0.944 189 G HN 1.214 nan 8.290 nan 0.000 0.551 190 G N -2.112 106.753 108.800 0.108 0.000 3.243 190 G HA2 0.800 4.760 3.960 0.000 0.000 0.248 190 G HA3 0.800 4.760 3.960 0.000 0.000 0.248 190 G C -0.875 174.104 174.900 0.132 0.000 1.267 190 G CA -0.132 45.032 45.100 0.107 0.000 0.906 190 G HN 0.827 nan 8.290 nan 0.000 0.592 191 R N -0.857 119.721 120.500 0.130 0.000 2.690 191 R HA 0.402 4.742 4.340 0.000 0.000 0.269 191 R C -2.889 173.493 176.300 0.137 0.000 1.037 191 R CA -1.472 54.723 56.100 0.159 0.000 0.877 191 R CB 1.073 31.474 30.300 0.168 0.000 1.255 191 R HN 0.283 nan 8.270 nan 0.000 0.467 192 P HA 0.015 nan 4.420 nan 0.000 0.272 192 P C -0.622 176.731 177.300 0.089 0.000 1.239 192 P CA 0.069 63.226 63.100 0.095 0.000 0.807 192 P CB 0.546 32.299 31.700 0.088 0.000 0.951 193 R N 1.090 121.603 120.500 0.022 0.000 2.532 193 R HA 0.353 4.693 4.340 0.000 0.000 0.297 193 R C -1.152 175.095 176.300 -0.089 0.000 0.984 193 R CA -0.607 55.509 56.100 0.027 0.000 0.884 193 R CB 0.585 30.894 30.300 0.016 0.000 1.182 193 R HN 0.367 nan 8.270 nan 0.000 0.442 194 Y N 3.750 123.972 120.300 -0.129 0.000 2.316 194 Y HA 0.333 4.883 4.550 -0.000 0.000 0.324 194 Y C -1.459 174.218 175.900 -0.373 0.000 1.267 194 Y CA -1.715 56.197 58.100 -0.314 0.000 1.311 194 Y CB 0.804 39.109 38.460 -0.259 0.000 1.267 194 Y HN 0.488 nan 8.280 nan 0.000 0.516 195 P HA 0.103 nan 4.420 nan 0.000 0.278 195 P C -0.752 176.425 177.300 -0.204 0.000 1.238 195 P CA -0.320 62.544 63.100 -0.392 0.000 0.794 195 P CB 1.052 32.340 31.700 -0.687 0.000 0.955 196 T N 2.948 117.433 114.554 -0.115 0.000 2.909 196 T HA 0.135 4.485 4.350 0.000 0.000 0.289 196 T C 0.523 175.196 174.700 -0.045 0.000 1.005 196 T CA -0.074 61.989 62.100 -0.063 0.000 1.084 196 T CB 0.126 68.973 68.868 -0.035 0.000 0.975 196 T HN 0.660 nan 8.240 nan 0.000 0.509 197 Q N -0.431 119.354 119.800 -0.024 0.000 2.475 197 Q HA -0.144 4.196 4.340 0.000 0.000 0.280 197 Q C -1.197 174.821 176.000 0.030 0.000 1.234 197 Q CA 0.341 56.148 55.803 0.006 0.000 0.873 197 Q CB -2.469 26.280 28.738 0.018 0.000 1.256 197 Q HN 0.298 nan 8.270 nan 0.000 0.475 198 V N 1.857 121.781 119.914 0.018 0.000 2.357 198 V HA 0.275 4.395 4.120 0.000 0.000 0.281 198 V C 0.285 176.447 176.094 0.113 0.000 1.015 198 V CA -0.179 62.169 62.300 0.081 0.000 0.827 198 V CB 1.386 33.232 31.823 0.038 0.000 1.018 198 V HN 0.421 nan 8.190 nan 0.000 0.432 199 K N 2.952 123.439 120.400 0.146 0.000 2.382 199 K HA 0.544 4.864 4.320 0.000 0.000 0.275 199 K C 1.058 177.787 176.600 0.215 0.000 1.009 199 K CA 0.638 57.005 56.287 0.133 0.000 0.970 199 K CB 0.703 33.272 32.500 0.114 0.000 0.934 199 K HN 0.966 nan 8.250 nan 0.000 0.479 200 G N 1.677 110.569 108.800 0.154 0.000 2.258 200 G HA2 -0.399 3.561 3.960 0.000 0.000 0.233 200 G HA3 -0.399 3.561 3.960 0.000 0.000 0.233 200 G C 1.065 176.137 174.900 0.288 0.000 1.006 200 G CA 0.493 45.741 45.100 0.248 0.000 0.620 200 G HN 0.939 nan 8.290 nan 0.000 0.511 201 A N 0.499 123.491 122.820 0.286 0.000 1.848 201 A HA 0.103 4.423 4.320 0.000 0.000 0.217 201 A C 2.408 180.236 177.584 0.406 0.000 1.220 201 A CA 2.807 55.070 52.037 0.377 0.000 0.645 201 A CB -0.685 18.353 19.000 0.062 0.000 0.842 201 A HN 1.038 nan 8.150 nan 0.000 0.451 202 L N 0.434 121.713 121.223 0.093 0.000 2.027 202 L HA -0.154 4.186 4.340 0.000 0.000 0.206 202 L C 2.630 179.475 176.870 -0.041 0.000 1.074 202 L CA 1.891 56.665 54.840 -0.111 0.000 0.745 202 L CB -0.943 40.901 42.059 -0.359 0.000 0.898 202 L HN 0.608 nan 8.230 nan 0.000 0.433 203 E N -0.373 119.723 120.200 -0.173 0.000 2.171 203 E HA -0.265 4.085 4.350 0.000 0.000 0.197 203 E C 1.466 177.871 176.600 -0.325 0.000 0.997 203 E CA 2.015 58.188 56.400 -0.379 0.000 0.810 203 E CB -0.528 28.738 29.700 -0.724 0.000 0.738 203 E HN 0.588 nan 8.360 nan 0.000 0.467 204 Y N 0.012 120.416 120.300 0.173 0.000 2.494 204 Y HA 0.397 4.947 4.550 0.000 0.000 0.271 204 Y C 1.687 177.702 175.900 0.192 0.000 1.113 204 Y CA -0.235 57.961 58.100 0.159 0.000 1.240 204 Y CB -0.278 38.265 38.460 0.138 0.000 1.268 204 Y HN 0.037 nan 8.280 nan 0.000 0.510 205 G N 1.699 110.780 108.800 0.469 0.000 2.634 205 G HA2 0.473 4.433 3.960 0.000 0.000 0.255 205 G HA3 0.473 4.433 3.960 0.000 0.000 0.255 205 G C -0.200 174.921 174.900 0.369 0.000 1.205 205 G CA -0.126 45.223 45.100 0.414 0.000 0.884 205 G HN 0.259 nan 8.290 nan 0.000 0.549 206 I N -2.657 118.034 120.570 0.202 0.000 3.239 206 I HA 0.891 5.061 4.170 0.000 0.000 0.314 206 I C 0.045 176.214 176.117 0.086 0.000 1.126 206 I CA -1.071 60.334 61.300 0.175 0.000 0.973 206 I CB 2.416 40.469 38.000 0.088 0.000 1.252 206 I HN 0.675 nan 8.210 nan 0.000 0.463 207 T N -1.902 112.705 114.554 0.088 0.000 2.742 207 T HA 0.319 4.669 4.350 0.000 0.000 0.282 207 T C 0.923 175.627 174.700 0.008 0.000 1.025 207 T CA -0.003 62.113 62.100 0.027 0.000 1.020 207 T CB 1.082 69.982 68.868 0.053 0.000 1.317 207 T HN 0.860 nan 8.240 nan 0.000 0.538 208 S N -0.092 115.607 115.700 -0.002 0.000 2.419 208 S HA -0.173 4.298 4.470 0.000 0.000 0.235 208 S C 1.169 175.809 174.600 0.068 0.000 1.019 208 S CA 1.636 59.816 58.200 -0.034 0.000 0.982 208 S CB -0.953 62.300 63.200 0.088 0.000 0.789 208 S HN 0.689 nan 8.310 nan 0.000 0.490 209 D N 2.019 122.525 120.400 0.177 0.000 2.144 209 D HA -0.033 4.607 4.640 0.000 0.000 0.200 209 D C 1.655 178.185 176.300 0.385 0.000 0.978 209 D CA 1.382 55.550 54.000 0.280 0.000 0.833 209 D CB -0.303 40.753 40.800 0.426 0.000 0.961 209 D HN 0.560 nan 8.370 nan 0.000 0.470 210 D N 0.020 120.591 120.400 0.285 0.000 2.213 210 D HA -0.020 4.620 4.640 0.000 0.000 0.205 210 D C 2.221 178.666 176.300 0.242 0.000 0.961 210 D CA 0.022 54.204 54.000 0.303 0.000 0.853 210 D CB 0.315 41.249 40.800 0.223 0.000 0.967 210 D HN 0.226 nan 8.370 nan 0.000 0.496 211 I N 0.654 121.243 120.570 0.031 0.000 2.226 211 I HA -0.267 3.903 4.170 0.000 0.000 0.245 211 I C 1.505 177.658 176.117 0.061 0.000 1.100 211 I CA 1.112 62.387 61.300 -0.040 0.000 1.374 211 I CB -0.020 37.815 38.000 -0.275 0.000 1.057 211 I HN -0.196 nan 8.210 nan 0.000 0.413 212 F N -0.815 119.220 119.950 0.140 0.000 2.722 212 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 212 F C 1.075 176.665 175.800 -0.350 0.000 1.175 212 F CA 0.703 58.605 58.000 -0.164 0.000 1.462 212 F CB -0.639 38.114 39.000 -0.410 0.000 1.111 212 F HN 0.186 nan 8.300 nan 0.000 0.592 213 W N -0.823 120.654 121.300 0.295 0.000 2.714 213 W HA 0.359 5.019 4.660 -0.000 0.000 0.353 213 W C 0.061 176.747 176.519 0.278 0.000 0.999 213 W CA -0.491 57.007 57.345 0.255 0.000 1.629 213 W CB -0.100 29.500 29.460 0.233 0.000 1.106 213 W HN -0.327 nan 8.180 nan 0.000 0.545 214 L N 2.083 123.610 121.223 0.506 0.000 2.559 214 L HA -0.108 4.232 4.340 0.000 0.000 0.282 214 L C 1.383 178.527 176.870 0.456 0.000 1.232 214 L CA 0.274 55.349 54.840 0.391 0.000 0.885 214 L CB 0.494 42.682 42.059 0.215 0.000 1.131 214 L HN -0.089 nan 8.230 nan 0.000 0.498 215 K N 1.093 121.672 120.400 0.298 0.000 2.116 215 K HA 0.040 4.360 4.320 0.000 0.000 0.203 215 K C 0.209 176.966 176.600 0.262 0.000 1.052 215 K CA 1.008 57.458 56.287 0.272 0.000 0.952 215 K CB 0.107 32.718 32.500 0.186 0.000 0.729 215 K HN 0.427 nan 8.250 nan 0.000 0.446 216 E N -0.085 120.191 120.200 0.127 0.000 2.288 216 E HA 0.168 4.518 4.350 0.000 0.000 0.268 216 E C -0.855 175.542 176.600 -0.338 0.000 0.885 216 E CA -0.533 55.877 56.400 0.017 0.000 0.767 216 E CB 1.970 31.674 29.700 0.007 0.000 1.220 216 E HN -0.021 nan 8.360 nan 0.000 0.427 217 S N 2.104 117.558 115.700 -0.409 0.000 2.593 217 S HA -0.059 4.411 4.470 0.000 0.000 0.303 217 S C -1.594 172.635 174.600 -0.619 0.000 1.267 217 S CA -0.485 57.285 58.200 -0.717 0.000 1.047 217 S CB 0.226 63.319 63.200 -0.180 0.000 0.777 217 S HN 0.228 nan 8.310 nan 0.000 0.498 218 P HA 0.187 nan 4.420 nan 0.000 0.233 218 P C 1.168 178.318 177.300 -0.251 0.000 1.167 218 P CA 0.995 63.821 63.100 -0.456 0.000 0.770 218 P CB -0.591 30.817 31.700 -0.487 0.000 0.837 219 G N 0.391 109.064 108.800 -0.211 0.000 2.564 219 G HA2 -0.335 3.625 3.960 0.000 0.000 0.273 219 G HA3 -0.335 3.625 3.960 0.000 0.000 0.273 219 G C -0.237 174.615 174.900 -0.080 0.000 1.242 219 G CA -0.145 44.890 45.100 -0.108 0.000 0.951 219 G HN 0.492 nan 8.290 nan 0.000 0.564 220 K N 0.948 121.324 120.400 -0.040 0.000 2.416 220 K HA 0.479 4.799 4.320 0.000 0.000 0.283 220 K C -0.226 176.403 176.600 0.048 0.000 1.037 220 K CA 0.739 57.032 56.287 0.010 0.000 0.995 220 K CB -0.031 32.473 32.500 0.006 0.000 0.938 220 K HN 0.584 nan 8.250 nan 0.000 0.475 221 T N 4.302 118.862 114.554 0.011 0.000 2.887 221 T HA 0.399 4.749 4.350 0.000 0.000 0.288 221 T C -1.305 173.256 174.700 -0.232 0.000 1.021 221 T CA -0.813 61.226 62.100 -0.102 0.000 1.000 221 T CB 1.331 70.086 68.868 -0.189 0.000 1.034 221 T HN 0.482 nan 8.240 nan 0.000 0.467 222 L N 2.880 123.804 121.223 -0.498 0.000 2.343 222 L HA 0.708 5.049 4.340 0.000 0.000 0.278 222 L C -1.226 175.271 176.870 -0.622 0.000 0.996 222 L CA -0.601 53.762 54.840 -0.795 0.000 0.831 222 L CB 1.322 42.526 42.059 -1.425 0.000 1.232 222 L HN 0.470 nan 8.230 nan 0.000 0.413 223 V N 6.019 125.617 119.914 -0.528 0.000 2.370 223 V HA 0.428 4.549 4.120 0.000 0.000 0.279 223 V C -0.239 175.596 176.094 -0.433 0.000 1.029 223 V CA -0.605 61.428 62.300 -0.444 0.000 0.870 223 V CB 1.678 33.285 31.823 -0.360 0.000 0.984 223 V HN 0.527 nan 8.190 nan 0.000 0.451 224 V N 5.056 124.725 119.914 -0.409 0.000 2.318 224 V HA 0.916 5.036 4.120 0.000 0.000 0.271 224 V C 0.594 176.629 176.094 -0.098 0.000 1.030 224 V CA 0.438 62.570 62.300 -0.280 0.000 0.844 224 V CB 0.561 32.185 31.823 -0.332 0.000 1.015 224 V HN 1.170 nan 8.190 nan 0.000 0.460 225 G N 3.574 112.323 108.800 -0.085 0.000 2.339 225 G HA2 0.537 4.497 3.960 0.000 0.000 0.302 225 G HA3 0.537 4.497 3.960 0.000 0.000 0.302 225 G C -0.391 174.501 174.900 -0.014 0.000 1.425 225 G CA 0.110 45.196 45.100 -0.023 0.000 0.899 225 G HN 0.979 nan 8.290 nan 0.000 0.619 226 A N -0.471 122.369 122.820 0.032 0.000 2.628 226 A HA 0.694 5.014 4.320 0.000 0.000 0.267 226 A C 1.240 178.887 177.584 0.105 0.000 1.159 226 A CA 1.272 53.351 52.037 0.070 0.000 0.972 226 A CB -0.320 18.730 19.000 0.084 0.000 1.211 226 A HN 2.163 nan 8.150 nan 0.000 0.576 227 S N -0.618 115.134 115.700 0.087 0.000 2.634 227 S HA 0.301 4.771 4.470 0.000 0.000 0.261 227 S C 1.085 175.763 174.600 0.130 0.000 1.271 227 S CA 0.258 58.542 58.200 0.141 0.000 0.985 227 S CB -0.052 63.184 63.200 0.061 0.000 0.968 227 S HN 0.887 nan 8.310 nan 0.000 0.568 228 Y N -0.501 119.880 120.300 0.135 0.000 2.293 228 Y HA 0.053 4.603 4.550 0.000 0.000 0.291 228 Y C 1.851 177.807 175.900 0.093 0.000 1.137 228 Y CA 0.897 59.041 58.100 0.074 0.000 1.202 228 Y CB -1.295 37.205 38.460 0.066 0.000 0.990 228 Y HN 0.284 nan 8.280 nan 0.000 0.537 229 V N 1.539 121.046 119.914 -0.679 0.000 2.287 229 V HA -0.357 3.763 4.120 0.000 0.000 0.248 229 V C 2.904 178.907 176.094 -0.152 0.000 1.053 229 V CA 2.031 64.060 62.300 -0.451 0.000 1.027 229 V CB -1.501 30.073 31.823 -0.415 0.000 0.646 229 V HN 0.671 nan 8.190 nan 0.000 0.447 230 A N -0.226 122.520 122.820 -0.123 0.000 1.845 230 A HA -0.174 4.146 4.320 0.000 0.000 0.215 230 A C 2.210 179.740 177.584 -0.089 0.000 1.195 230 A CA 2.012 53.987 52.037 -0.104 0.000 0.616 230 A CB -0.618 18.336 19.000 -0.076 0.000 0.832 230 A HN 0.489 nan 8.150 nan 0.000 0.443 231 L N -0.720 120.494 121.223 -0.017 0.000 2.017 231 L HA -0.229 4.111 4.340 0.000 0.000 0.208 231 L C 2.659 179.544 176.870 0.025 0.000 1.073 231 L CA 1.807 56.660 54.840 0.022 0.000 0.745 231 L CB -0.799 41.312 42.059 0.086 0.000 0.894 231 L HN 0.493 nan 8.230 nan 0.000 0.432 232 E N -0.493 119.753 120.200 0.076 0.000 2.085 232 E HA -0.240 4.110 4.350 0.000 0.000 0.194 232 E C 2.322 178.966 176.600 0.074 0.000 0.994 232 E CA 1.720 58.208 56.400 0.146 0.000 0.801 232 E CB -0.233 29.623 29.700 0.260 0.000 0.743 232 E HN 0.557 nan 8.360 nan 0.000 0.453 233 C N 0.632 119.882 119.300 -0.083 0.000 2.453 233 C HA -0.037 4.423 4.460 0.000 0.000 0.277 233 C C 2.920 177.474 174.990 -0.727 0.000 1.262 233 C CA 0.757 59.471 59.018 -0.506 0.000 1.718 233 C CB -0.909 26.646 27.740 -0.307 0.000 2.031 233 C HN 0.514 nan 8.230 nan 0.000 0.480 234 A N 0.704 123.291 122.820 -0.388 0.000 2.015 234 A HA 0.113 4.433 4.320 0.000 0.000 0.219 234 A C 2.298 179.729 177.584 -0.255 0.000 1.163 234 A CA 1.912 53.745 52.037 -0.339 0.000 0.646 234 A CB -0.999 17.824 19.000 -0.294 0.000 0.806 234 A HN 0.567 nan 8.150 nan 0.000 0.448 235 G N 0.181 108.882 108.800 -0.165 0.000 2.434 235 G HA2 -0.148 3.812 3.960 0.000 0.000 0.214 235 G HA3 -0.148 3.812 3.960 0.000 0.000 0.214 235 G C 1.363 176.305 174.900 0.070 0.000 1.202 235 G CA 1.231 46.336 45.100 0.009 0.000 0.788 235 G HN 0.790 nan 8.290 nan 0.000 0.539 236 F N 0.717 120.745 119.950 0.131 0.000 2.325 236 F HA 0.283 4.810 4.527 -0.000 0.000 0.299 236 F C 2.114 177.960 175.800 0.076 0.000 1.090 236 F CA 0.250 58.324 58.000 0.123 0.000 1.392 236 F CB -0.602 38.490 39.000 0.153 0.000 1.053 236 F HN 0.049 nan 8.300 nan 0.000 0.521 237 L N 0.422 121.447 121.223 -0.330 0.000 2.046 237 L HA -0.173 4.167 4.340 0.000 0.000 0.208 237 L C 2.484 179.345 176.870 -0.015 0.000 1.077 237 L CA 1.913 56.680 54.840 -0.121 0.000 0.747 237 L CB -1.090 40.784 42.059 -0.308 0.000 0.896 237 L HN 0.248 nan 8.230 nan 0.000 0.432 238 T N -0.580 113.949 114.554 -0.042 0.000 2.777 238 T HA -0.113 4.237 4.350 0.000 0.000 0.266 238 T C 1.838 176.563 174.700 0.041 0.000 1.040 238 T CA 1.210 63.311 62.100 0.001 0.000 1.141 238 T CB -0.570 68.306 68.868 0.013 0.000 0.868 238 T HN 0.546 nan 8.240 nan 0.000 0.444 239 G N 2.428 111.274 108.800 0.076 0.000 2.442 239 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 239 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 239 G C 1.353 176.258 174.900 0.008 0.000 1.141 239 G CA 0.941 46.085 45.100 0.074 0.000 0.763 239 G HN 0.709 nan 8.290 nan 0.000 0.554 240 I N -2.414 118.149 120.570 -0.012 0.000 3.749 240 I HA 0.495 4.665 4.170 0.000 0.000 0.314 240 I C 1.467 177.562 176.117 -0.037 0.000 1.278 240 I CA 0.373 61.566 61.300 -0.179 0.000 1.158 240 I CB -0.177 37.614 38.000 -0.349 0.000 1.018 240 I HN 0.218 nan 8.210 nan 0.000 0.435 241 G N 1.513 110.323 108.800 0.016 0.000 2.175 241 G HA2 -0.213 3.747 3.960 0.000 0.000 0.244 241 G HA3 -0.213 3.747 3.960 0.000 0.000 0.244 241 G C 0.111 175.034 174.900 0.039 0.000 0.982 241 G CA -0.046 45.077 45.100 0.038 0.000 0.641 241 G HN 0.389 nan 8.290 nan 0.000 0.527 242 L N 1.139 122.383 121.223 0.036 0.000 2.417 242 L HA 0.369 4.709 4.340 0.000 0.000 0.268 242 L C 0.518 177.384 176.870 -0.007 0.000 1.158 242 L CA -0.644 54.204 54.840 0.013 0.000 0.819 242 L CB 0.651 42.709 42.059 -0.002 0.000 1.112 242 L HN 0.183 nan 8.230 nan 0.000 0.458 243 D N 1.981 122.375 120.400 -0.010 0.000 2.338 243 D HA 0.109 4.749 4.640 0.000 0.000 0.255 243 D C -0.803 175.487 176.300 -0.016 0.000 1.237 243 D CA 0.028 54.024 54.000 -0.007 0.000 0.883 243 D CB 0.805 41.604 40.800 -0.002 0.000 1.087 243 D HN 0.456 nan 8.370 nan 0.000 0.485 244 T N 2.856 117.383 114.554 -0.046 0.000 2.887 244 T HA 0.546 4.896 4.350 0.000 0.000 0.288 244 T C -0.422 174.188 174.700 -0.150 0.000 1.021 244 T CA -0.624 61.410 62.100 -0.110 0.000 1.000 244 T CB 1.877 70.651 68.868 -0.156 0.000 1.034 244 T HN 0.275 nan 8.240 nan 0.000 0.467 245 T N 1.538 115.949 114.554 -0.239 0.000 2.952 245 T HA 0.529 4.879 4.350 0.000 0.000 0.305 245 T C -0.694 173.712 174.700 -0.489 0.000 1.064 245 T CA -0.585 61.320 62.100 -0.325 0.000 1.008 245 T CB 1.528 70.274 68.868 -0.204 0.000 1.078 245 T HN 0.375 nan 8.240 nan 0.000 0.459 246 V N 3.804 123.325 119.914 -0.655 0.000 2.435 246 V HA 0.530 4.650 4.120 0.000 0.000 0.290 246 V C -0.069 175.733 176.094 -0.488 0.000 1.030 246 V CA -0.790 61.127 62.300 -0.638 0.000 0.881 246 V CB 1.550 32.837 31.823 -0.893 0.000 0.983 246 V HN 0.918 nan 8.190 nan 0.000 0.445 247 M N 6.863 126.228 119.600 -0.393 0.000 2.101 247 M HA 0.611 5.091 4.480 0.000 0.000 0.340 247 M C -1.137 175.063 176.300 -0.167 0.000 1.057 247 M CA -0.212 54.893 55.300 -0.325 0.000 0.984 247 M CB 0.895 33.231 32.600 -0.439 0.000 1.560 247 M HN 0.608 nan 8.290 nan 0.000 0.435 248 M N 4.135 123.695 119.600 -0.067 0.000 2.311 248 M HA 0.426 4.906 4.480 0.000 0.000 0.325 248 M C 0.513 176.831 176.300 0.031 0.000 1.061 248 M CA -0.558 54.748 55.300 0.010 0.000 0.957 248 M CB 2.124 34.772 32.600 0.079 0.000 1.646 248 M HN 0.701 nan 8.290 nan 0.000 0.434 249 R N 0.279 120.804 120.500 0.041 0.000 2.062 249 R HA -0.022 4.318 4.340 0.000 0.000 0.231 249 R C 1.446 177.776 176.300 0.050 0.000 1.136 249 R CA 1.415 57.549 56.100 0.057 0.000 0.948 249 R CB 0.007 30.336 30.300 0.047 0.000 0.845 249 R HN 0.739 nan 8.270 nan 0.000 0.430 250 S N -0.705 115.022 115.700 0.045 0.000 3.894 250 S HA 0.320 4.790 4.470 0.000 0.000 0.189 250 S C -0.225 174.403 174.600 0.046 0.000 1.096 250 S CA -0.613 57.611 58.200 0.040 0.000 1.481 250 S CB -0.256 62.960 63.200 0.027 0.000 1.321 250 S HN 0.187 nan 8.310 nan 0.000 0.828 251 I N 2.254 122.851 120.570 0.045 0.000 2.886 251 I HA 0.573 4.743 4.170 0.000 0.000 0.299 251 I C -2.476 173.682 176.117 0.069 0.000 1.044 251 I CA -2.065 59.264 61.300 0.048 0.000 1.310 251 I CB 0.686 38.713 38.000 0.046 0.000 1.441 251 I HN 0.274 nan 8.210 nan 0.000 0.578 252 P HA 0.317 nan 4.420 nan 0.000 0.290 252 P C -0.240 177.138 177.300 0.130 0.000 1.275 252 P CA -0.443 62.712 63.100 0.092 0.000 0.841 252 P CB 1.595 33.331 31.700 0.061 0.000 1.042 253 L N -0.993 120.335 121.223 0.175 0.000 3.854 253 L HA -0.244 4.096 4.340 0.000 0.000 0.460 253 L C 1.036 178.135 176.870 0.382 0.000 1.228 253 L CA 0.262 55.291 54.840 0.314 0.000 0.760 253 L CB -1.420 40.775 42.059 0.226 0.000 1.597 253 L HN 0.607 nan 8.230 nan 0.000 0.852 254 R N 0.855 121.498 120.500 0.239 0.000 2.523 254 R HA 0.168 4.508 4.340 0.000 0.000 0.281 254 R C 1.433 177.830 176.300 0.161 0.000 0.969 254 R CA 1.464 57.664 56.100 0.167 0.000 1.093 254 R CB 0.241 30.607 30.300 0.110 0.000 0.917 254 R HN 0.545 nan 8.270 nan 0.000 0.408 255 G N 3.400 112.252 108.800 0.088 0.000 2.376 255 G HA2 -0.264 3.696 3.960 0.000 0.000 0.208 255 G HA3 -0.264 3.696 3.960 0.000 0.000 0.208 255 G C -0.115 174.726 174.900 -0.099 0.000 1.032 255 G CA -0.172 44.896 45.100 -0.052 0.000 0.641 255 G HN 0.509 nan 8.290 nan 0.000 0.503 256 F N 2.396 122.415 119.950 0.116 0.000 2.378 256 F HA 0.478 5.005 4.527 0.000 0.000 0.319 256 F C 0.934 176.812 175.800 0.131 0.000 1.155 256 F CA -0.239 57.862 58.000 0.170 0.000 1.157 256 F CB 0.508 39.666 39.000 0.262 0.000 1.252 256 F HN 0.065 nan 8.300 nan 0.000 0.550 257 D N 1.853 122.471 120.400 0.362 0.000 2.451 257 D HA -0.094 4.546 4.640 0.000 0.000 0.254 257 D C 0.787 177.132 176.300 0.075 0.000 1.204 257 D CA 0.025 54.096 54.000 0.118 0.000 0.896 257 D CB 0.999 41.742 40.800 -0.094 0.000 1.136 257 D HN 0.450 nan 8.370 nan 0.000 0.499 258 Q N 3.054 122.877 119.800 0.038 0.000 2.124 258 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 258 Q C 1.764 177.736 176.000 -0.047 0.000 0.977 258 Q CA 1.185 56.995 55.803 0.012 0.000 0.850 258 Q CB -0.228 28.517 28.738 0.012 0.000 0.901 258 Q HN 0.742 nan 8.270 nan 0.000 0.429 259 Q N -0.586 119.173 119.800 -0.068 0.000 2.084 259 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 259 Q C 1.855 177.767 176.000 -0.147 0.000 0.978 259 Q CA 1.192 56.937 55.803 -0.097 0.000 0.844 259 Q CB 0.103 28.794 28.738 -0.078 0.000 0.898 259 Q HN 0.239 nan 8.270 nan 0.000 0.426 260 M N 0.194 119.678 119.600 -0.194 0.000 2.099 260 M HA -0.103 4.377 4.480 0.000 0.000 0.262 260 M C 2.299 178.342 176.300 -0.428 0.000 1.067 260 M CA 1.391 56.460 55.300 -0.385 0.000 1.124 260 M CB -1.039 31.136 32.600 -0.708 0.000 1.353 260 M HN 0.139 nan 8.290 nan 0.000 0.410 261 S N 0.726 116.251 115.700 -0.291 0.000 2.370 261 S HA -0.149 4.321 4.470 0.000 0.000 0.226 261 S C 2.137 176.656 174.600 -0.135 0.000 1.033 261 S CA 1.745 59.839 58.200 -0.177 0.000 1.011 261 S CB -0.507 62.682 63.200 -0.019 0.000 0.852 261 S HN 0.592 nan 8.310 nan 0.000 0.457 262 S N 1.621 117.248 115.700 -0.121 0.000 2.353 262 S HA -0.058 4.412 4.470 0.000 0.000 0.222 262 S C 1.836 176.361 174.600 -0.126 0.000 1.035 262 S CA 1.071 59.204 58.200 -0.112 0.000 1.025 262 S CB -0.555 62.584 63.200 -0.101 0.000 0.902 262 S HN 0.472 nan 8.310 nan 0.000 0.440 263 L N 0.970 122.108 121.223 -0.142 0.000 2.079 263 L HA -0.086 4.254 4.340 0.000 0.000 0.210 263 L C 2.550 179.373 176.870 -0.078 0.000 1.081 263 L CA 1.043 55.816 54.840 -0.111 0.000 0.752 263 L CB -0.543 41.439 42.059 -0.129 0.000 0.896 263 L HN 0.264 nan 8.230 nan 0.000 0.433 264 V N -0.143 119.698 119.914 -0.121 0.000 2.223 264 V HA -0.323 3.797 4.120 0.000 0.000 0.244 264 V C 2.720 178.815 176.094 0.003 0.000 1.045 264 V CA 2.496 64.759 62.300 -0.061 0.000 1.000 264 V CB -1.091 30.675 31.823 -0.095 0.000 0.635 264 V HN 0.680 nan 8.190 nan 0.000 0.445 265 T N -1.279 113.240 114.554 -0.058 0.000 2.759 265 T HA -0.276 4.074 4.350 0.000 0.000 0.269 265 T C 1.613 176.163 174.700 -0.249 0.000 1.042 265 T CA 1.905 63.910 62.100 -0.158 0.000 1.140 265 T CB -0.573 68.110 68.868 -0.308 0.000 0.864 265 T HN 0.624 nan 8.240 nan 0.000 0.455 266 E N 0.362 120.462 120.200 -0.166 0.000 2.110 266 E HA -0.204 4.146 4.350 0.000 0.000 0.193 266 E C 2.140 178.730 176.600 -0.016 0.000 0.988 266 E CA 1.460 57.783 56.400 -0.128 0.000 0.804 266 E CB -0.321 29.328 29.700 -0.086 0.000 0.745 266 E HN 0.773 nan 8.360 nan 0.000 0.458 267 H N 0.492 119.550 119.070 -0.021 0.000 2.357 267 H HA -0.036 4.520 4.556 0.000 0.000 0.301 267 H C 2.090 177.503 175.328 0.141 0.000 1.082 267 H CA 1.670 57.750 56.048 0.054 0.000 1.342 267 H CB 0.046 29.787 29.762 -0.036 0.000 1.389 267 H HN 0.020 nan 8.280 nan 0.000 0.511 268 M N 0.265 119.949 119.600 0.139 0.000 2.065 268 M HA -0.190 4.290 4.480 0.000 0.000 0.259 268 M C 2.382 178.803 176.300 0.202 0.000 1.069 268 M CA 2.352 57.772 55.300 0.200 0.000 1.110 268 M CB -0.245 32.562 32.600 0.345 0.000 1.328 268 M HN 0.581 nan 8.290 nan 0.000 0.405 269 E N -0.921 119.358 120.200 0.132 0.000 2.268 269 E HA -0.110 4.240 4.350 0.000 0.000 0.195 269 E C 1.594 178.215 176.600 0.036 0.000 0.995 269 E CA 1.432 57.911 56.400 0.132 0.000 0.836 269 E CB -0.285 29.391 29.700 -0.040 0.000 0.763 269 E HN 0.293 nan 8.360 nan 0.000 0.491 270 S N 0.051 115.752 115.700 0.001 0.000 2.522 270 S HA -0.019 4.451 4.470 0.000 0.000 0.227 270 S C -0.061 174.355 174.600 -0.308 0.000 0.986 270 S CA 0.454 58.586 58.200 -0.114 0.000 0.929 270 S CB -0.051 63.096 63.200 -0.089 0.000 0.769 270 S HN 0.425 nan 8.310 nan 0.000 0.529 271 H N -0.682 118.300 119.070 -0.146 0.000 2.587 271 H HA 0.453 5.009 4.556 0.000 0.000 0.245 271 H C 1.074 176.382 175.328 -0.033 0.000 1.238 271 H CA 0.064 56.041 56.048 -0.120 0.000 0.963 271 H CB 0.283 29.911 29.762 -0.223 0.000 1.904 271 H HN 0.251 nan 8.280 nan 0.000 0.584 272 G N -0.023 108.812 108.800 0.058 0.000 2.284 272 G HA2 -0.288 3.672 3.960 0.000 0.000 0.216 272 G HA3 -0.288 3.672 3.960 0.000 0.000 0.216 272 G C 0.529 175.465 174.900 0.059 0.000 1.009 272 G CA 0.010 45.142 45.100 0.054 0.000 0.625 272 G HN 0.389 nan 8.290 nan 0.000 0.501 273 T N 2.719 117.336 114.554 0.104 0.000 2.832 273 T HA 0.540 4.890 4.350 0.000 0.000 0.296 273 T C 0.238 175.006 174.700 0.114 0.000 0.968 273 T CA 0.041 62.178 62.100 0.060 0.000 1.107 273 T CB 1.559 70.478 68.868 0.085 0.000 0.916 273 T HN 0.460 nan 8.240 nan 0.000 0.517 274 Q N 1.801 121.585 119.800 -0.026 0.000 2.259 274 Q HA 0.520 4.860 4.340 0.000 0.000 0.249 274 Q C -1.000 174.920 176.000 -0.134 0.000 0.914 274 Q CA -0.282 55.535 55.803 0.023 0.000 0.904 274 Q CB 1.054 29.790 28.738 -0.004 0.000 1.213 274 Q HN 0.571 nan 8.270 nan 0.000 0.428 275 F N 1.308 121.232 119.950 -0.045 0.000 2.532 275 F HA 0.415 4.942 4.527 -0.000 0.000 0.321 275 F C -0.414 175.345 175.800 -0.069 0.000 1.089 275 F CA -0.788 57.173 58.000 -0.065 0.000 0.926 275 F CB 1.341 40.315 39.000 -0.045 0.000 1.168 275 F HN 0.263 nan 8.300 nan 0.000 0.459 276 L N 4.247 125.471 121.223 0.002 0.000 2.445 276 L HA 0.367 4.707 4.340 0.000 0.000 0.252 276 L C -0.573 176.298 176.870 0.000 0.000 1.105 276 L CA -0.584 54.223 54.840 -0.056 0.000 0.943 276 L CB 0.684 42.557 42.059 -0.310 0.000 1.277 276 L HN 0.536 nan 8.230 nan 0.000 0.465 277 K N 1.263 121.715 120.400 0.086 0.000 2.350 277 K HA 0.358 4.678 4.320 0.000 0.000 0.279 277 K C 1.102 177.752 176.600 0.084 0.000 1.027 277 K CA 0.423 56.763 56.287 0.089 0.000 0.969 277 K CB 0.861 33.411 32.500 0.082 0.000 0.954 277 K HN 0.660 nan 8.250 nan 0.000 0.474 278 G N 1.707 110.559 108.800 0.087 0.000 2.221 278 G HA2 -0.268 3.692 3.960 0.000 0.000 0.265 278 G HA3 -0.268 3.692 3.960 0.000 0.000 0.265 278 G C -0.127 174.886 174.900 0.189 0.000 1.041 278 G CA -0.141 45.036 45.100 0.128 0.000 0.807 278 G HN 0.588 nan 8.290 nan 0.000 0.502 279 C N -0.736 118.634 119.300 0.116 0.000 2.529 279 C HA 0.870 5.330 4.460 0.000 0.000 0.329 279 C C 0.434 175.490 174.990 0.110 0.000 1.194 279 C CA -0.957 58.135 59.018 0.123 0.000 1.779 279 C CB 1.891 29.575 27.740 -0.094 0.000 2.322 279 C HN 0.478 nan 8.230 nan 0.000 0.500 280 V N 2.620 122.657 119.914 0.204 0.000 2.789 280 V HA 0.508 4.628 4.120 0.000 0.000 0.311 280 V C -2.554 173.680 176.094 0.233 0.000 1.073 280 V CA -1.519 60.900 62.300 0.199 0.000 0.921 280 V CB 2.161 34.136 31.823 0.253 0.000 1.009 280 V HN 0.706 nan 8.190 nan 0.000 0.426 281 P HA 0.356 nan 4.420 nan 0.000 0.282 281 P C 0.196 177.642 177.300 0.245 0.000 1.249 281 P CA -0.275 62.989 63.100 0.274 0.000 0.806 281 P CB 1.221 33.148 31.700 0.378 0.000 0.984 282 S N -0.253 115.561 115.700 0.189 0.000 2.670 282 S HA 0.154 4.624 4.470 0.000 0.000 0.241 282 S C 0.291 175.035 174.600 0.241 0.000 1.077 282 S CA -0.048 58.257 58.200 0.175 0.000 0.899 282 S CB -0.371 62.915 63.200 0.144 0.000 0.835 282 S HN 0.736 nan 8.310 nan 0.000 0.481 283 H N -0.730 118.467 119.070 0.212 0.000 3.043 283 H HA 0.569 5.125 4.556 0.000 0.000 0.317 283 H C -2.128 173.338 175.328 0.230 0.000 1.321 283 H CA -1.075 55.095 56.048 0.203 0.000 1.243 283 H CB 0.372 30.221 29.762 0.145 0.000 1.924 283 H HN 0.202 nan 8.280 nan 0.000 0.527 284 I N 2.087 122.927 120.570 0.449 0.000 2.498 284 I HA 0.361 4.531 4.170 0.000 0.000 0.290 284 I C -0.744 175.621 176.117 0.413 0.000 1.032 284 I CA -0.736 60.797 61.300 0.389 0.000 1.073 284 I CB 2.281 40.524 38.000 0.404 0.000 1.251 284 I HN 0.346 nan 8.210 nan 0.000 0.426 285 K N 5.189 125.753 120.400 0.274 0.000 2.345 285 K HA 0.439 4.759 4.320 0.000 0.000 0.255 285 K C -0.892 175.677 176.600 -0.051 0.000 0.934 285 K CA -0.941 55.450 56.287 0.174 0.000 0.801 285 K CB 2.851 35.444 32.500 0.155 0.000 1.137 285 K HN 0.411 nan 8.250 nan 0.000 0.424 286 K N 3.975 124.238 120.400 -0.229 0.000 2.234 286 K HA 0.286 4.606 4.320 0.000 0.000 0.282 286 K C -0.503 176.017 176.600 -0.133 0.000 1.039 286 K CA -0.416 55.636 56.287 -0.390 0.000 0.928 286 K CB 0.571 32.656 32.500 -0.692 0.000 1.039 286 K HN 0.470 nan 8.250 nan 0.000 0.470 287 L N 5.817 126.976 121.223 -0.106 0.000 2.421 287 L HA 0.279 4.619 4.340 0.000 0.000 0.263 287 L C -1.605 175.241 176.870 -0.040 0.000 1.122 287 L CA -2.293 52.517 54.840 -0.051 0.000 0.804 287 L CB 0.917 42.950 42.059 -0.044 0.000 1.150 287 L HN 0.578 nan 8.230 nan 0.000 0.457 288 P HA -0.129 nan 4.420 nan 0.000 0.229 288 P C 1.135 178.427 177.300 -0.015 0.000 1.150 288 P CA 0.974 64.068 63.100 -0.010 0.000 0.765 288 P CB 0.185 31.882 31.700 -0.005 0.000 0.783 289 T N -2.438 112.101 114.554 -0.025 0.000 3.086 289 T HA 0.102 4.452 4.350 0.000 0.000 0.250 289 T C 0.851 175.532 174.700 -0.033 0.000 1.074 289 T CA 0.052 62.137 62.100 -0.026 0.000 0.988 289 T CB -0.663 68.187 68.868 -0.030 0.000 0.988 289 T HN -0.027 nan 8.240 nan 0.000 0.530 290 N N 0.616 119.289 118.700 -0.044 0.000 2.984 290 N HA -0.122 4.618 4.740 0.000 0.000 0.227 290 N C -0.134 175.325 175.510 -0.085 0.000 0.903 290 N CA 0.724 53.738 53.050 -0.059 0.000 0.995 290 N CB -0.864 37.607 38.487 -0.028 0.000 1.065 290 N HN 0.594 nan 8.380 nan 0.000 0.585 291 Q N 0.225 119.979 119.800 -0.077 0.000 2.500 291 Q HA 0.395 4.735 4.340 0.000 0.000 0.215 291 Q C 0.256 176.194 176.000 -0.103 0.000 1.062 291 Q CA -0.069 55.691 55.803 -0.072 0.000 0.996 291 Q CB 0.854 29.556 28.738 -0.060 0.000 1.239 291 Q HN 0.099 nan 8.270 nan 0.000 0.578 292 L N 1.706 122.895 121.223 -0.057 0.000 2.307 292 L HA 0.269 4.609 4.340 0.000 0.000 0.284 292 L C -0.437 176.459 176.870 0.043 0.000 1.023 292 L CA -0.419 54.391 54.840 -0.051 0.000 0.810 292 L CB 1.389 43.446 42.059 -0.005 0.000 1.231 292 L HN 0.644 nan 8.230 nan 0.000 0.423 293 Q N 2.650 122.478 119.800 0.046 0.000 2.509 293 Q HA 0.334 4.674 4.340 0.000 0.000 0.230 293 Q C -1.131 174.968 176.000 0.164 0.000 1.089 293 Q CA -0.192 55.672 55.803 0.101 0.000 0.901 293 Q CB 0.791 29.582 28.738 0.087 0.000 1.208 293 Q HN 0.409 nan 8.270 nan 0.000 0.529 294 V N 4.079 124.135 119.914 0.237 0.000 2.432 294 V HA 0.406 4.526 4.120 0.000 0.000 0.271 294 V C 0.120 176.364 176.094 0.250 0.000 1.046 294 V CA -0.267 62.190 62.300 0.262 0.000 0.945 294 V CB 1.304 33.318 31.823 0.318 0.000 0.992 294 V HN 0.724 nan 8.190 nan 0.000 0.471 295 T N 5.521 120.062 114.554 -0.021 0.000 2.855 295 T HA 0.696 5.046 4.350 0.000 0.000 0.281 295 T C -0.688 174.014 174.700 0.003 0.000 1.007 295 T CA -0.337 61.619 62.100 -0.241 0.000 1.009 295 T CB 1.179 69.559 68.868 -0.814 0.000 0.983 295 T HN 0.848 nan 8.240 nan 0.000 0.455 296 W N 0.969 122.199 121.300 -0.116 0.000 3.074 296 W HA 0.674 5.334 4.660 0.000 0.000 0.332 296 W C -1.598 174.885 176.519 -0.059 0.000 1.253 296 W CA -1.130 56.177 57.345 -0.063 0.000 1.180 296 W CB 0.633 30.073 29.460 -0.032 0.000 1.445 296 W HN 0.474 nan 8.180 nan 0.000 0.573 297 E N 1.368 121.711 120.200 0.240 0.000 2.174 297 E HA 0.238 4.588 4.350 0.000 0.000 0.282 297 E C -1.287 175.370 176.600 0.095 0.000 0.992 297 E CA -0.703 55.701 56.400 0.006 0.000 0.803 297 E CB 1.602 31.229 29.700 -0.122 0.000 1.090 297 E HN 0.378 nan 8.360 nan 0.000 0.396 298 D N 2.020 122.429 120.400 0.014 0.000 2.485 298 D HA 0.058 4.698 4.640 0.000 0.000 0.229 298 D C 0.047 176.326 176.300 -0.035 0.000 1.101 298 D CA -0.441 53.630 54.000 0.117 0.000 0.906 298 D CB 0.294 41.232 40.800 0.229 0.000 1.019 298 D HN 0.456 nan 8.370 nan 0.000 0.516 299 H N 2.683 121.824 119.070 0.119 0.000 2.574 299 H HA 0.172 4.728 4.556 0.000 0.000 0.277 299 H C 0.699 176.067 175.328 0.067 0.000 1.058 299 H CA 0.705 56.801 56.048 0.080 0.000 1.171 299 H CB 0.409 30.213 29.762 0.070 0.000 1.304 299 H HN 0.477 nan 8.280 nan 0.000 0.620 300 A N -0.919 121.987 122.820 0.143 0.000 2.551 300 A HA 0.349 4.669 4.320 0.000 0.000 0.252 300 A C 1.089 178.718 177.584 0.076 0.000 1.199 300 A CA -0.093 52.007 52.037 0.105 0.000 0.972 300 A CB 0.869 19.930 19.000 0.101 0.000 1.153 300 A HN 0.193 nan 8.150 nan 0.000 0.559 301 S N -1.683 114.058 115.700 0.068 0.000 3.972 301 S HA 0.478 4.948 4.470 0.000 0.000 0.190 301 S C 1.374 175.991 174.600 0.029 0.000 1.204 301 S CA 0.096 58.325 58.200 0.049 0.000 1.285 301 S CB -0.785 62.451 63.200 0.060 0.000 1.849 301 S HN 0.605 nan 8.310 nan 0.000 0.762 302 G N 1.157 109.967 108.800 0.017 0.000 2.572 302 G HA2 0.245 4.205 3.960 0.000 0.000 0.144 302 G HA3 0.245 4.205 3.960 0.000 0.000 0.144 302 G C 0.196 175.079 174.900 -0.029 0.000 1.747 302 G CA 0.880 45.973 45.100 -0.011 0.000 1.007 302 G HN 0.380 nan 8.290 nan 0.000 0.452 303 K N -0.627 119.735 120.400 -0.063 0.000 2.612 303 K HA 0.240 4.560 4.320 0.000 0.000 0.199 303 K C -0.247 176.274 176.600 -0.132 0.000 1.520 303 K CA -0.011 56.219 56.287 -0.096 0.000 1.039 303 K CB 1.338 33.800 32.500 -0.063 0.000 1.286 303 K HN 0.568 nan 8.250 nan 0.000 0.622 304 E N 1.278 121.382 120.200 -0.160 0.000 2.846 304 E HA 0.061 4.411 4.350 0.000 0.000 0.363 304 E C -1.963 174.404 176.600 -0.388 0.000 0.933 304 E CA 0.083 56.336 56.400 -0.246 0.000 0.766 304 E CB 1.055 30.658 29.700 -0.161 0.000 1.404 304 E HN -0.017 nan 8.360 nan 0.000 0.408 305 D N 1.235 121.170 120.400 -0.775 0.000 2.497 305 D HA 0.624 5.264 4.640 0.000 0.000 0.243 305 D C -1.022 174.411 176.300 -1.444 0.000 1.039 305 D CA -0.209 53.213 54.000 -0.963 0.000 1.052 305 D CB 2.488 42.789 40.800 -0.832 0.000 1.344 305 D HN 0.271 nan 8.370 nan 0.000 0.553 306 T N -0.733 113.172 114.554 -1.081 0.000 2.916 306 T HA 0.717 5.067 4.350 0.000 0.000 0.305 306 T C -0.565 173.981 174.700 -0.257 0.000 1.119 306 T CA -0.559 61.127 62.100 -0.689 0.000 1.008 306 T CB 1.717 70.416 68.868 -0.282 0.000 1.129 306 T HN 0.441 nan 8.240 nan 0.000 0.480 307 G N 0.116 109.074 108.800 0.264 0.000 2.694 307 G HA2 0.624 4.584 3.960 0.000 0.000 0.290 307 G HA3 0.624 4.584 3.960 0.000 0.000 0.290 307 G C -1.257 173.680 174.900 0.061 0.000 1.386 307 G CA -0.535 44.739 45.100 0.289 0.000 0.872 307 G HN 0.700 nan 8.290 nan 0.000 0.475 308 T N -0.135 114.163 114.554 -0.426 0.000 2.815 308 T HA 0.723 5.073 4.350 0.000 0.000 0.289 308 T C -1.426 172.863 174.700 -0.685 0.000 1.000 308 T CA -0.477 61.420 62.100 -0.338 0.000 0.958 308 T CB -0.007 68.737 68.868 -0.208 0.000 0.944 308 T HN 0.288 nan 8.240 nan 0.000 0.442 309 F N 2.085 122.008 119.950 -0.045 0.000 2.603 309 F HA 0.491 5.018 4.527 0.000 0.000 0.317 309 F C 1.059 176.804 175.800 -0.091 0.000 1.066 309 F CA -1.229 56.724 58.000 -0.078 0.000 0.941 309 F CB 1.470 40.403 39.000 -0.111 0.000 1.291 309 F HN 0.380 nan 8.300 nan 0.000 0.472 310 D N -0.159 120.293 120.400 0.086 0.000 2.213 310 D HA 0.053 4.693 4.640 0.000 0.000 0.205 310 D C 0.180 176.469 176.300 -0.019 0.000 0.961 310 D CA 1.330 55.331 54.000 0.001 0.000 0.853 310 D CB 0.301 41.078 40.800 -0.037 0.000 0.967 310 D HN 0.420 nan 8.370 nan 0.000 0.496 311 T N -0.015 114.522 114.554 -0.029 0.000 2.909 311 T HA 0.512 4.862 4.350 0.000 0.000 0.299 311 T C -0.620 173.975 174.700 -0.174 0.000 1.073 311 T CA -0.610 61.433 62.100 -0.095 0.000 0.999 311 T CB 3.128 71.909 68.868 -0.145 0.000 1.098 311 T HN -0.354 nan 8.240 nan 0.000 0.477 312 V N 3.386 123.165 119.914 -0.226 0.000 2.482 312 V HA 0.517 4.637 4.120 0.000 0.000 0.295 312 V C -1.167 174.636 176.094 -0.485 0.000 1.026 312 V CA -0.786 61.254 62.300 -0.433 0.000 0.856 312 V CB 1.617 33.163 31.823 -0.463 0.000 1.001 312 V HN 0.691 nan 8.190 nan 0.000 0.424 313 L N 5.709 126.616 121.223 -0.527 0.000 2.296 313 L HA 0.650 4.990 4.340 0.000 0.000 0.286 313 L C -1.188 175.399 176.870 -0.472 0.000 1.023 313 L CA -0.693 53.901 54.840 -0.411 0.000 0.812 313 L CB 1.232 43.116 42.059 -0.292 0.000 1.223 313 L HN 0.649 nan 8.230 nan 0.000 0.421 314 W N 5.638 126.807 121.300 -0.219 0.000 2.367 314 W HA 0.656 5.316 4.660 0.000 0.000 0.329 314 W C 0.160 176.552 176.519 -0.212 0.000 1.066 314 W CA -0.693 56.509 57.345 -0.238 0.000 1.435 314 W CB 1.171 30.422 29.460 -0.348 0.000 1.296 314 W HN 0.777 nan 8.180 nan 0.000 0.401 315 A N 5.529 128.368 122.820 0.033 0.000 2.923 315 A HA 0.453 4.773 4.320 0.000 0.000 0.343 315 A C 0.027 177.622 177.584 0.018 0.000 1.199 315 A CA -0.518 51.511 52.037 -0.014 0.000 0.878 315 A CB -0.655 18.297 19.000 -0.079 0.000 1.104 315 A HN 0.752 nan 8.150 nan 0.000 0.483 316 I N -1.074 119.522 120.570 0.043 0.000 3.424 316 I HA 0.628 4.798 4.170 0.000 0.000 0.339 316 I C 0.396 176.531 176.117 0.030 0.000 1.549 316 I CA -0.044 61.283 61.300 0.045 0.000 1.049 316 I CB 0.122 38.159 38.000 0.062 0.000 1.439 316 I HN 0.700 nan 8.210 nan 0.000 0.500 317 G N 1.670 110.487 108.800 0.028 0.000 2.663 317 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 317 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 317 G C -0.776 174.149 174.900 0.041 0.000 1.246 317 G CA -0.977 44.148 45.100 0.041 0.000 0.795 317 G HN 0.447 nan 8.290 nan 0.000 0.627 318 R N -1.098 119.436 120.500 0.058 0.000 2.797 318 R HA 0.824 5.164 4.340 0.000 0.000 0.251 318 R C -0.515 175.824 176.300 0.066 0.000 1.107 318 R CA -0.797 55.345 56.100 0.069 0.000 1.084 318 R CB 1.733 32.085 30.300 0.086 0.000 1.205 318 R HN 0.693 nan 8.270 nan 0.000 0.515 319 V N 2.271 122.229 119.914 0.073 0.000 2.638 319 V HA 0.308 4.428 4.120 0.000 0.000 0.306 319 V C -2.244 173.891 176.094 0.069 0.000 1.052 319 V CA -2.004 60.334 62.300 0.064 0.000 0.885 319 V CB 2.241 34.100 31.823 0.060 0.000 0.999 319 V HN 0.684 nan 8.190 nan 0.000 0.424 320 P HA 0.134 nan 4.420 nan 0.000 0.268 320 P C -0.473 176.863 177.300 0.061 0.000 1.205 320 P CA -0.090 63.047 63.100 0.062 0.000 0.771 320 P CB 0.908 32.639 31.700 0.052 0.000 0.858 321 E N 2.097 122.336 120.200 0.065 0.000 1.861 321 E HA 0.102 4.452 4.350 0.000 0.000 0.263 321 E C 0.695 177.324 176.600 0.049 0.000 1.137 321 E CA 0.250 56.686 56.400 0.060 0.000 0.944 321 E CB 0.140 29.881 29.700 0.067 0.000 1.092 321 E HN 0.526 nan 8.360 nan 0.000 0.420 322 T N -0.993 113.588 114.554 0.045 0.000 2.966 322 T HA 0.035 4.385 4.350 0.000 0.000 0.254 322 T C 1.625 176.349 174.700 0.039 0.000 0.961 322 T CA -0.376 61.752 62.100 0.046 0.000 0.915 322 T CB 0.305 69.204 68.868 0.052 0.000 1.186 322 T HN 0.138 nan 8.240 nan 0.000 0.505 323 R N 2.203 122.723 120.500 0.033 0.000 2.179 323 R HA -0.179 4.161 4.340 0.000 0.000 0.238 323 R C 2.451 178.763 176.300 0.020 0.000 1.119 323 R CA 2.806 58.922 56.100 0.026 0.000 0.915 323 R CB -1.380 28.934 30.300 0.024 0.000 0.870 323 R HN 0.406 nan 8.270 nan 0.000 0.432 324 T N -0.192 114.369 114.554 0.012 0.000 3.025 324 T HA -0.022 4.328 4.350 0.000 0.000 0.270 324 T C 1.672 176.359 174.700 -0.022 0.000 1.126 324 T CA 1.172 63.269 62.100 -0.006 0.000 1.105 324 T CB -0.216 68.645 68.868 -0.012 0.000 0.884 324 T HN 0.289 nan 8.240 nan 0.000 0.522 325 L N 0.193 121.408 121.223 -0.013 0.000 2.217 325 L HA 0.077 4.418 4.340 0.000 0.000 0.211 325 L C 0.764 177.676 176.870 0.070 0.000 1.107 325 L CA 0.733 55.548 54.840 -0.042 0.000 0.783 325 L CB -0.823 41.230 42.059 -0.009 0.000 0.919 325 L HN 0.334 nan 8.230 nan 0.000 0.442 326 N N -1.005 117.754 118.700 0.098 0.000 2.758 326 N HA -0.201 4.540 4.740 0.000 0.000 0.248 326 N C 0.594 176.238 175.510 0.223 0.000 1.076 326 N CA 0.303 53.430 53.050 0.128 0.000 0.696 326 N CB -1.986 36.572 38.487 0.119 0.000 0.979 326 N HN 0.221 nan 8.380 nan 0.000 0.550 327 L N 0.065 121.419 121.223 0.219 0.000 2.263 327 L HA -0.237 4.103 4.340 0.000 0.000 0.216 327 L C 2.447 179.342 176.870 0.041 0.000 1.111 327 L CA 1.908 56.865 54.840 0.196 0.000 0.773 327 L CB -0.404 41.736 42.059 0.135 0.000 0.906 327 L HN 0.550 nan 8.230 nan 0.000 0.439 328 E N 0.536 120.762 120.200 0.044 0.000 2.072 328 E HA -0.231 4.119 4.350 0.000 0.000 0.191 328 E C 1.740 178.335 176.600 -0.009 0.000 0.985 328 E CA 0.903 57.307 56.400 0.006 0.000 0.801 328 E CB -0.277 29.432 29.700 0.015 0.000 0.750 328 E HN 0.417 nan 8.360 nan 0.000 0.452 329 K N 0.240 120.655 120.400 0.025 0.000 2.574 329 K HA 0.040 4.360 4.320 0.000 0.000 0.193 329 K C 1.328 177.904 176.600 -0.040 0.000 1.035 329 K CA 0.743 57.043 56.287 0.021 0.000 0.982 329 K CB 0.196 32.741 32.500 0.075 0.000 0.795 329 K HN 0.257 nan 8.250 nan 0.000 0.491 330 A N -0.125 122.608 122.820 -0.145 0.000 2.456 330 A HA 0.320 4.640 4.320 0.000 0.000 0.237 330 A C 0.923 178.339 177.584 -0.279 0.000 1.217 330 A CA 0.357 52.189 52.037 -0.340 0.000 0.962 330 A CB 0.538 18.979 19.000 -0.932 0.000 1.079 330 A HN 0.220 nan 8.150 nan 0.000 0.536 331 G N 0.329 109.024 108.800 -0.175 0.000 2.326 331 G HA2 -0.187 3.773 3.960 0.000 0.000 0.286 331 G HA3 -0.187 3.773 3.960 0.000 0.000 0.286 331 G C -0.224 174.581 174.900 -0.158 0.000 1.096 331 G CA 0.344 45.362 45.100 -0.136 0.000 1.003 331 G HN 0.566 nan 8.290 nan 0.000 0.503 332 I N 2.005 122.487 120.570 -0.146 0.000 2.428 332 I HA 0.288 4.458 4.170 0.000 0.000 0.279 332 I C 1.024 177.102 176.117 -0.065 0.000 1.040 332 I CA -0.521 60.703 61.300 -0.127 0.000 1.171 332 I CB 1.302 39.220 38.000 -0.137 0.000 1.312 332 I HN 0.392 nan 8.210 nan 0.000 0.470 333 S N 3.865 119.528 115.700 -0.062 0.000 2.568 333 S HA 0.382 4.852 4.470 0.000 0.000 0.282 333 S C 0.224 174.809 174.600 -0.025 0.000 1.338 333 S CA -0.434 57.743 58.200 -0.039 0.000 1.045 333 S CB 0.901 64.077 63.200 -0.040 0.000 0.873 333 S HN 0.702 nan 8.310 nan 0.000 0.516 334 T N -0.434 114.112 114.554 -0.013 0.000 2.909 334 T HA 0.420 4.770 4.350 0.000 0.000 0.299 334 T C -0.663 174.033 174.700 -0.005 0.000 1.073 334 T CA -1.051 61.046 62.100 -0.005 0.000 0.999 334 T CB 1.333 70.206 68.868 0.008 0.000 1.098 334 T HN 0.734 nan 8.240 nan 0.000 0.477 335 N N 3.305 122.002 118.700 -0.005 0.000 2.497 335 N HA 0.133 4.873 4.740 0.000 0.000 0.268 335 N C -1.190 174.320 175.510 -0.001 0.000 1.171 335 N CA -1.734 51.312 53.050 -0.006 0.000 0.948 335 N CB 1.358 39.841 38.487 -0.008 0.000 1.069 335 N HN 0.440 nan 8.380 nan 0.000 0.460 336 P HA -0.216 nan 4.420 nan 0.000 0.213 336 P C 0.979 178.282 177.300 0.004 0.000 1.176 336 P CA 1.484 64.585 63.100 0.001 0.000 0.919 336 P CB 0.285 31.984 31.700 -0.001 0.000 0.791 337 K N 0.636 121.038 120.400 0.003 0.000 1.975 337 K HA -0.108 4.212 4.320 0.000 0.000 0.225 337 K C 1.323 177.928 176.600 0.008 0.000 1.050 337 K CA 1.282 57.572 56.287 0.005 0.000 0.992 337 K CB -1.665 30.837 32.500 0.003 0.000 0.738 337 K HN 0.441 nan 8.250 nan 0.000 0.446 338 N N 2.598 121.303 118.700 0.008 0.000 2.415 338 N HA 0.025 4.765 4.740 0.000 0.000 0.246 338 N C -0.627 174.892 175.510 0.014 0.000 1.078 338 N CA 0.005 53.063 53.050 0.013 0.000 0.942 338 N CB 0.797 39.291 38.487 0.011 0.000 1.140 338 N HN 0.069 nan 8.380 nan 0.000 0.501 339 Q N 1.449 121.260 119.800 0.019 0.000 2.417 339 Q HA 0.027 4.367 4.340 0.000 0.000 0.183 339 Q C -0.044 175.972 176.000 0.026 0.000 0.908 339 Q CA 0.410 56.226 55.803 0.021 0.000 0.994 339 Q CB -0.008 28.744 28.738 0.025 0.000 1.557 339 Q HN 0.406 nan 8.270 nan 0.000 0.382 340 K N 0.194 120.605 120.400 0.020 0.000 2.520 340 K HA 0.385 4.705 4.320 0.000 0.000 0.256 340 K C 0.201 176.812 176.600 0.018 0.000 1.033 340 K CA -0.718 55.581 56.287 0.021 0.000 1.007 340 K CB 0.800 33.306 32.500 0.011 0.000 1.330 340 K HN 0.109 nan 8.250 nan 0.000 0.507 341 I N 2.271 122.851 120.570 0.018 0.000 2.355 341 I HA 0.283 4.453 4.170 0.000 0.000 0.288 341 I C 0.537 176.651 176.117 -0.004 0.000 0.999 341 I CA -0.855 60.452 61.300 0.013 0.000 1.163 341 I CB 0.468 38.485 38.000 0.029 0.000 1.316 341 I HN 0.415 nan 8.210 nan 0.000 0.454 342 I N 6.933 127.494 120.570 -0.015 0.000 2.683 342 I HA 0.101 4.271 4.170 0.000 0.000 0.286 342 I C 0.390 176.489 176.117 -0.029 0.000 1.175 342 I CA 0.212 61.497 61.300 -0.025 0.000 1.429 342 I CB 0.393 38.376 38.000 -0.029 0.000 1.371 342 I HN 0.407 nan 8.210 nan 0.000 0.569 343 V N 2.439 122.336 119.914 -0.029 0.000 3.078 343 V HA 0.529 4.649 4.120 0.000 0.000 0.311 343 V C -0.469 175.614 176.094 -0.017 0.000 1.138 343 V CA -1.020 61.267 62.300 -0.022 0.000 1.007 343 V CB 1.992 33.815 31.823 -0.000 0.000 1.045 343 V HN 0.627 nan 8.190 nan 0.000 0.432 344 D N 1.170 121.567 120.400 -0.005 0.000 2.393 344 D HA 0.456 5.096 4.640 0.000 0.000 0.246 344 D C 1.164 177.485 176.300 0.035 0.000 1.275 344 D CA 0.408 54.413 54.000 0.009 0.000 0.979 344 D CB 2.097 42.905 40.800 0.013 0.000 1.101 344 D HN 0.947 nan 8.370 nan 0.000 0.505 345 A N 0.547 123.393 122.820 0.044 0.000 2.235 345 A HA -0.067 4.253 4.320 0.000 0.000 0.208 345 A C 1.311 178.953 177.584 0.098 0.000 1.172 345 A CA 0.866 52.942 52.037 0.066 0.000 0.786 345 A CB -0.141 18.892 19.000 0.054 0.000 0.804 345 A HN 0.529 nan 8.150 nan 0.000 0.479 346 Q N -0.921 118.941 119.800 0.103 0.000 2.165 346 Q HA 0.200 4.540 4.340 0.000 0.000 0.245 346 Q C -0.755 175.366 176.000 0.203 0.000 0.841 346 Q CA -0.278 55.605 55.803 0.134 0.000 1.078 346 Q CB 0.479 29.299 28.738 0.138 0.000 1.169 346 Q HN 0.583 nan 8.270 nan 0.000 0.475 347 E N -0.833 119.470 120.200 0.170 0.000 2.660 347 E HA -0.256 4.094 4.350 0.000 0.000 0.260 347 E C -0.358 176.382 176.600 0.234 0.000 1.122 347 E CA 0.848 57.359 56.400 0.185 0.000 0.755 347 E CB -1.268 28.551 29.700 0.198 0.000 1.345 347 E HN 0.554 nan 8.360 nan 0.000 0.421 348 A N -0.695 122.208 122.820 0.137 0.000 2.246 348 A HA 0.812 5.132 4.320 0.000 0.000 0.291 348 A C 0.666 178.166 177.584 -0.140 0.000 1.103 348 A CA 0.518 52.478 52.037 -0.128 0.000 0.844 348 A CB 1.529 20.421 19.000 -0.180 0.000 1.136 348 A HN 0.127 nan 8.150 nan 0.000 0.500 349 T N -2.292 112.117 114.554 -0.242 0.000 2.618 349 T HA 0.388 4.738 4.350 0.000 0.000 0.293 349 T C 1.446 176.038 174.700 -0.180 0.000 1.093 349 T CA 0.446 62.448 62.100 -0.163 0.000 1.061 349 T CB 0.512 69.299 68.868 -0.134 0.000 1.498 349 T HN 0.628 nan 8.240 nan 0.000 0.494 350 S N -0.094 115.518 115.700 -0.147 0.000 2.407 350 S HA -0.135 4.335 4.470 0.000 0.000 0.244 350 S C 0.908 175.404 174.600 -0.173 0.000 1.077 350 S CA 1.830 59.947 58.200 -0.138 0.000 1.159 350 S CB -0.598 62.523 63.200 -0.132 0.000 1.045 350 S HN 0.594 nan 8.310 nan 0.000 0.438 351 V N 3.030 122.792 119.914 -0.253 0.000 2.546 351 V HA 0.154 4.274 4.120 0.000 0.000 0.284 351 V C -1.594 174.288 176.094 -0.353 0.000 1.050 351 V CA -1.385 60.728 62.300 -0.311 0.000 0.981 351 V CB 0.901 32.422 31.823 -0.503 0.000 0.990 351 V HN 0.163 nan 8.190 nan 0.000 0.474 352 P HA -0.116 nan 4.420 nan 0.000 0.222 352 P C 0.964 178.132 177.300 -0.219 0.000 1.147 352 P CA 1.219 64.214 63.100 -0.175 0.000 0.790 352 P CB -0.006 31.688 31.700 -0.010 0.000 0.780 353 H N -2.680 116.266 119.070 -0.206 0.000 2.652 353 H HA 0.301 4.857 4.556 -0.000 0.000 0.274 353 H C 0.259 175.582 175.328 -0.008 0.000 1.021 353 H CA -0.226 55.813 56.048 -0.016 0.000 1.187 353 H CB -0.104 29.627 29.762 -0.051 0.000 1.505 353 H HN 0.127 nan 8.280 nan 0.000 0.530 354 I N 2.049 122.268 120.570 -0.584 0.000 2.378 354 I HA 0.258 4.428 4.170 0.000 0.000 0.291 354 I C -1.069 174.833 176.117 -0.358 0.000 0.992 354 I CA -0.940 60.180 61.300 -0.301 0.000 1.154 354 I CB 1.136 38.905 38.000 -0.384 0.000 1.315 354 I HN -0.075 nan 8.210 nan 0.000 0.448 355 Y N 4.207 124.520 120.300 0.020 0.000 2.524 355 Y HA 0.765 5.315 4.550 0.000 0.000 0.344 355 Y C 0.184 176.113 175.900 0.048 0.000 1.012 355 Y CA -1.138 56.980 58.100 0.029 0.000 1.068 355 Y CB 1.815 40.297 38.460 0.036 0.000 1.249 355 Y HN 0.529 nan 8.280 nan 0.000 0.468 356 A N 3.069 126.003 122.820 0.189 0.000 2.350 356 A HA 0.900 5.220 4.320 0.000 0.000 0.324 356 A C -1.365 176.297 177.584 0.130 0.000 1.118 356 A CA -0.627 51.491 52.037 0.134 0.000 0.783 356 A CB 0.804 19.855 19.000 0.084 0.000 1.236 356 A HN 0.560 nan 8.150 nan 0.000 0.457 357 I N 1.011 121.649 120.570 0.114 0.000 2.722 357 I HA 0.670 4.840 4.170 0.000 0.000 0.295 357 I C 0.737 176.913 176.117 0.098 0.000 1.161 357 I CA 0.768 62.135 61.300 0.112 0.000 1.032 357 I CB 1.079 39.143 38.000 0.106 0.000 1.244 357 I HN 1.397 nan 8.210 nan 0.000 0.421 358 G N 5.950 114.815 108.800 0.108 0.000 2.499 358 G HA2 -0.210 3.750 3.960 0.000 0.000 0.232 358 G HA3 -0.210 3.750 3.960 0.000 0.000 0.232 358 G C 0.354 175.302 174.900 0.080 0.000 1.251 358 G CA 0.192 45.352 45.100 0.099 0.000 0.917 358 G HN 0.497 nan 8.290 nan 0.000 0.580 359 D N 0.382 120.831 120.400 0.083 0.000 2.265 359 D HA -0.098 4.542 4.640 0.000 0.000 0.208 359 D C 2.687 179.024 176.300 0.062 0.000 0.977 359 D CA 2.074 56.120 54.000 0.077 0.000 0.871 359 D CB -0.272 40.582 40.800 0.091 0.000 0.925 359 D HN 0.955 nan 8.370 nan 0.000 0.485 360 V N -1.562 118.390 119.914 0.062 0.000 2.788 360 V HA 0.242 4.362 4.120 0.000 0.000 0.251 360 V C 1.165 177.282 176.094 0.038 0.000 1.068 360 V CA 0.401 62.733 62.300 0.054 0.000 1.090 360 V CB -0.805 31.056 31.823 0.063 0.000 0.710 360 V HN 0.070 nan 8.190 nan 0.000 0.467 361 A N 1.648 124.487 122.820 0.033 0.000 2.451 361 A HA 0.282 4.602 4.320 0.000 0.000 0.266 361 A C 0.439 178.008 177.584 -0.025 0.000 1.119 361 A CA -0.073 51.968 52.037 0.006 0.000 0.786 361 A CB -0.277 18.727 19.000 0.005 0.000 1.061 361 A HN 0.679 nan 8.150 nan 0.000 0.503 362 E N 2.043 122.225 120.200 -0.030 0.000 2.392 362 E HA 0.349 4.699 4.350 0.000 0.000 0.264 362 E C 1.347 177.897 176.600 -0.083 0.000 1.024 362 E CA 0.842 57.218 56.400 -0.041 0.000 0.903 362 E CB 0.225 29.907 29.700 -0.030 0.000 0.963 362 E HN 1.319 nan 8.360 nan 0.000 0.432 363 G N 4.017 112.767 108.800 -0.083 0.000 2.498 363 G HA2 -0.316 3.644 3.960 0.000 0.000 0.229 363 G HA3 -0.316 3.644 3.960 0.000 0.000 0.229 363 G C 0.203 174.995 174.900 -0.180 0.000 1.156 363 G CA 0.304 45.333 45.100 -0.119 0.000 0.680 363 G HN 0.566 nan 8.290 nan 0.000 0.512 364 R N 2.684 123.038 120.500 -0.244 0.000 2.585 364 R HA 0.414 4.754 4.340 0.000 0.000 0.275 364 R C -1.878 174.362 176.300 -0.100 0.000 1.018 364 R CA -0.895 55.012 56.100 -0.322 0.000 1.072 364 R CB -0.001 30.131 30.300 -0.279 0.000 0.953 364 R HN 0.387 nan 8.270 nan 0.000 0.419 365 P HA 0.016 nan 4.420 nan 0.000 0.271 365 P C -0.963 176.383 177.300 0.075 0.000 1.216 365 P CA -0.061 63.063 63.100 0.040 0.000 0.771 365 P CB 0.672 32.420 31.700 0.080 0.000 0.864 366 E N 3.458 123.702 120.200 0.075 0.000 1.999 366 E HA 0.209 4.559 4.350 0.000 0.000 0.296 366 E C -0.110 176.561 176.600 0.119 0.000 1.187 366 E CA -0.016 56.448 56.400 0.107 0.000 1.229 366 E CB -0.296 29.484 29.700 0.133 0.000 1.131 366 E HN 0.422 nan 8.360 nan 0.000 0.478 367 L N 0.064 121.351 121.223 0.105 0.000 2.371 367 L HA 0.261 4.601 4.340 0.000 0.000 0.262 367 L C 1.338 178.262 176.870 0.089 0.000 1.006 367 L CA -0.658 54.237 54.840 0.091 0.000 0.818 367 L CB 2.024 44.123 42.059 0.066 0.000 1.354 367 L HN 0.096 nan 8.230 nan 0.000 0.415 368 T N 0.650 115.251 114.554 0.078 0.000 2.812 368 T HA -0.016 4.335 4.350 0.000 0.000 0.264 368 T C -1.131 173.600 174.700 0.051 0.000 1.042 368 T CA 1.458 63.597 62.100 0.064 0.000 1.140 368 T CB -0.363 68.537 68.868 0.054 0.000 0.870 368 T HN 0.436 nan 8.240 nan 0.000 0.445 369 P HA -0.083 nan 4.420 nan 0.000 0.216 369 P C 1.778 179.084 177.300 0.011 0.000 1.150 369 P CA 1.404 64.517 63.100 0.022 0.000 0.837 369 P CB -0.313 31.396 31.700 0.015 0.000 0.786 370 T N -2.704 111.868 114.554 0.031 0.000 2.777 370 T HA -0.041 4.309 4.350 0.000 0.000 0.266 370 T C 1.973 176.704 174.700 0.051 0.000 1.040 370 T CA 1.158 63.271 62.100 0.021 0.000 1.141 370 T CB -1.261 67.685 68.868 0.131 0.000 0.868 370 T HN -0.020 nan 8.240 nan 0.000 0.444 371 A N 1.677 124.552 122.820 0.091 0.000 1.902 371 A HA 0.090 4.410 4.320 0.000 0.000 0.217 371 A C 2.416 180.032 177.584 0.053 0.000 1.181 371 A CA 1.360 53.453 52.037 0.093 0.000 0.623 371 A CB -0.931 18.122 19.000 0.089 0.000 0.818 371 A HN 0.566 nan 8.150 nan 0.000 0.443 372 I N -0.546 120.045 120.570 0.036 0.000 2.099 372 I HA -0.320 3.850 4.170 0.000 0.000 0.239 372 I C 2.630 178.750 176.117 0.004 0.000 1.066 372 I CA 2.174 63.488 61.300 0.022 0.000 1.324 372 I CB -0.317 37.696 38.000 0.021 0.000 1.037 372 I HN 0.417 nan 8.210 nan 0.000 0.401 373 K N 1.112 121.501 120.400 -0.019 0.000 2.026 373 K HA -0.202 4.118 4.320 0.000 0.000 0.208 373 K C 2.199 178.765 176.600 -0.057 0.000 1.048 373 K CA 1.578 57.836 56.287 -0.048 0.000 0.929 373 K CB -0.184 32.266 32.500 -0.084 0.000 0.713 373 K HN 0.302 nan 8.250 nan 0.000 0.439 374 A N 0.753 123.537 122.820 -0.059 0.000 1.892 374 A HA -0.146 4.174 4.320 0.000 0.000 0.218 374 A C 2.400 179.986 177.584 0.003 0.000 1.188 374 A CA 2.184 54.205 52.037 -0.027 0.000 0.631 374 A CB -1.463 17.589 19.000 0.087 0.000 0.822 374 A HN 0.587 nan 8.150 nan 0.000 0.447 375 G N -0.949 107.862 108.800 0.018 0.000 2.408 375 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 375 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 375 G C 1.633 176.529 174.900 -0.007 0.000 1.150 375 G CA 1.142 46.249 45.100 0.012 0.000 0.776 375 G HN 0.588 nan 8.290 nan 0.000 0.542 376 K N -0.099 120.297 120.400 -0.006 0.000 2.025 376 K HA 0.102 4.422 4.320 0.000 0.000 0.207 376 K C 2.460 179.046 176.600 -0.024 0.000 1.049 376 K CA 0.708 56.992 56.287 -0.005 0.000 0.933 376 K CB -0.240 32.257 32.500 -0.005 0.000 0.714 376 K HN 0.299 nan 8.250 nan 0.000 0.438 377 L N 0.888 122.087 121.223 -0.041 0.000 2.093 377 L HA -0.171 4.169 4.340 0.000 0.000 0.208 377 L C 2.434 179.254 176.870 -0.083 0.000 1.085 377 L CA 0.345 55.152 54.840 -0.055 0.000 0.755 377 L CB -0.404 41.619 42.059 -0.060 0.000 0.904 377 L HN 0.267 nan 8.230 nan 0.000 0.435 378 L N 0.387 121.554 121.223 -0.093 0.000 2.079 378 L HA -0.185 4.155 4.340 0.000 0.000 0.210 378 L C 2.584 179.300 176.870 -0.257 0.000 1.081 378 L CA 2.082 56.818 54.840 -0.174 0.000 0.752 378 L CB -0.734 41.223 42.059 -0.169 0.000 0.896 378 L HN 0.147 nan 8.230 nan 0.000 0.433 379 A N -1.200 121.530 122.820 -0.151 0.000 1.898 379 A HA -0.241 4.079 4.320 0.000 0.000 0.216 379 A C 2.209 179.719 177.584 -0.124 0.000 1.181 379 A CA 1.677 53.651 52.037 -0.104 0.000 0.620 379 A CB -0.584 18.467 19.000 0.084 0.000 0.819 379 A HN 0.642 nan 8.150 nan 0.000 0.442 380 Q N -0.821 118.936 119.800 -0.072 0.000 2.135 380 Q HA -0.185 4.156 4.340 0.000 0.000 0.204 380 Q C 2.381 178.318 176.000 -0.106 0.000 0.981 380 Q CA 1.670 57.442 55.803 -0.051 0.000 0.856 380 Q CB -0.144 28.573 28.738 -0.035 0.000 0.902 380 Q HN 0.616 nan 8.270 nan 0.000 0.425 381 R N -0.017 120.384 120.500 -0.165 0.000 2.062 381 R HA -0.064 4.276 4.340 0.000 0.000 0.229 381 R C 2.275 178.410 176.300 -0.274 0.000 1.128 381 R CA 0.892 56.887 56.100 -0.175 0.000 0.960 381 R CB -0.166 30.041 30.300 -0.156 0.000 0.855 381 R HN 0.207 nan 8.270 nan 0.000 0.432 382 L N -0.214 120.693 121.223 -0.526 0.000 1.937 382 L HA -0.144 4.196 4.340 0.000 0.000 0.213 382 L C 1.061 177.553 176.870 -0.630 0.000 1.077 382 L CA 1.433 55.772 54.840 -0.834 0.000 0.758 382 L CB -0.325 40.714 42.059 -1.700 0.000 0.888 382 L HN 0.206 nan 8.230 nan 0.000 0.433 383 F N -1.411 118.477 119.950 -0.103 0.000 2.908 383 F HA 0.485 5.012 4.527 0.000 0.000 0.328 383 F C 1.027 176.809 175.800 -0.030 0.000 1.211 383 F CA -0.523 57.448 58.000 -0.049 0.000 1.291 383 F CB -0.722 38.256 39.000 -0.036 0.000 0.962 383 F HN -0.091 nan 8.300 nan 0.000 0.505 384 G N -0.049 108.798 108.800 0.078 0.000 2.945 384 G HA2 0.158 4.118 3.960 0.000 0.000 0.225 384 G HA3 0.158 4.118 3.960 0.000 0.000 0.225 384 G C 0.802 175.718 174.900 0.027 0.000 1.046 384 G CA -0.366 44.773 45.100 0.066 0.000 0.842 384 G HN 0.246 nan 8.290 nan 0.000 0.543 385 K N -0.425 119.978 120.400 0.005 0.000 3.423 385 K HA -0.169 4.151 4.320 0.000 0.000 0.306 385 K C 0.413 177.008 176.600 -0.009 0.000 1.331 385 K CA 0.604 56.892 56.287 0.002 0.000 0.905 385 K CB -1.807 30.704 32.500 0.018 0.000 1.332 385 K HN 0.343 nan 8.250 nan 0.000 0.473 386 S N 0.363 116.050 115.700 -0.023 0.000 2.616 386 S HA 0.424 4.894 4.470 0.000 0.000 0.277 386 S C 0.949 175.532 174.600 -0.029 0.000 1.234 386 S CA 0.072 58.258 58.200 -0.024 0.000 1.028 386 S CB 1.300 64.483 63.200 -0.028 0.000 0.988 386 S HN 0.334 nan 8.310 nan 0.000 0.522 387 S N 1.801 117.490 115.700 -0.019 0.000 2.629 387 S HA 0.229 4.699 4.470 0.000 0.000 0.236 387 S C 0.278 174.870 174.600 -0.013 0.000 1.010 387 S CA -0.459 57.733 58.200 -0.014 0.000 0.981 387 S CB -0.033 63.163 63.200 -0.005 0.000 0.919 387 S HN 0.584 nan 8.310 nan 0.000 0.514 388 T N 3.431 117.974 114.554 -0.019 0.000 2.901 388 T HA 0.468 4.818 4.350 0.000 0.000 0.301 388 T C -0.187 174.501 174.700 -0.021 0.000 1.012 388 T CA -0.002 62.087 62.100 -0.019 0.000 1.135 388 T CB 0.430 69.283 68.868 -0.025 0.000 0.936 388 T HN 0.293 nan 8.240 nan 0.000 0.539 389 L N 2.934 124.149 121.223 -0.012 0.000 2.352 389 L HA 0.574 4.914 4.340 0.000 0.000 0.269 389 L C 0.332 177.185 176.870 -0.028 0.000 1.034 389 L CA -1.261 53.578 54.840 -0.002 0.000 0.806 389 L CB 1.230 43.305 42.059 0.026 0.000 1.244 389 L HN 0.500 nan 8.230 nan 0.000 0.447 390 M N 2.189 121.766 119.600 -0.038 0.000 2.245 390 M HA 0.084 4.564 4.480 0.000 0.000 0.344 390 M C -0.565 175.633 176.300 -0.170 0.000 1.170 390 M CA 0.104 55.298 55.300 -0.177 0.000 1.135 390 M CB 0.190 32.624 32.600 -0.278 0.000 1.574 390 M HN 0.381 nan 8.290 nan 0.000 0.452 391 D N 3.677 123.927 120.400 -0.250 0.000 2.464 391 D HA 0.165 4.805 4.640 0.000 0.000 0.243 391 D C -0.925 175.279 176.300 -0.159 0.000 1.104 391 D CA -0.116 53.817 54.000 -0.111 0.000 0.883 391 D CB 0.018 40.782 40.800 -0.061 0.000 1.050 391 D HN 0.597 nan 8.370 nan 0.000 0.524 392 Y N 1.235 121.536 120.300 0.002 0.000 2.462 392 Y HA 0.103 4.653 4.550 -0.000 0.000 0.293 392 Y C 1.429 177.327 175.900 -0.004 0.000 1.195 392 Y CA -0.369 57.731 58.100 -0.000 0.000 1.276 392 Y CB -0.312 38.149 38.460 0.001 0.000 1.082 392 Y HN 0.228 nan 8.280 nan 0.000 0.514 393 S N -0.013 115.754 115.700 0.113 0.000 2.592 393 S HA 0.080 4.550 4.470 0.000 0.000 0.271 393 S C 0.445 175.070 174.600 0.042 0.000 1.326 393 S CA -0.817 57.425 58.200 0.071 0.000 1.024 393 S CB 0.415 63.647 63.200 0.053 0.000 0.921 393 S HN 0.464 nan 8.310 nan 0.000 0.527 394 N N -0.041 118.679 118.700 0.033 0.000 2.689 394 N HA -0.122 4.618 4.740 0.000 0.000 0.263 394 N C -0.948 174.566 175.510 0.006 0.000 0.987 394 N CA 0.603 53.663 53.050 0.017 0.000 0.782 394 N CB -1.269 37.228 38.487 0.016 0.000 0.903 394 N HN 0.553 nan 8.380 nan 0.000 0.547 395 V N 2.061 121.981 119.914 0.010 0.000 2.406 395 V HA 0.288 4.408 4.120 0.000 0.000 0.272 395 V C -1.129 174.955 176.094 -0.017 0.000 1.043 395 V CA -1.118 61.183 62.300 0.001 0.000 0.915 395 V CB 1.464 33.301 31.823 0.022 0.000 0.988 395 V HN 0.214 nan 8.190 nan 0.000 0.466 396 P HA 0.402 nan 4.420 nan 0.000 0.274 396 P C -0.438 176.830 177.300 -0.053 0.000 1.237 396 P CA 0.030 63.102 63.100 -0.047 0.000 0.793 396 P CB 1.359 33.036 31.700 -0.038 0.000 0.977 397 T N -2.871 111.629 114.554 -0.091 0.000 2.762 397 T HA 0.622 4.972 4.350 0.000 0.000 0.301 397 T C -1.045 173.523 174.700 -0.220 0.000 1.299 397 T CA -0.630 61.405 62.100 -0.109 0.000 1.005 397 T CB 1.289 70.116 68.868 -0.068 0.000 1.377 397 T HN 0.369 nan 8.240 nan 0.000 0.504 398 T N 1.315 115.681 114.554 -0.313 0.000 3.395 398 T HA 0.525 4.875 4.350 0.000 0.000 0.330 398 T C -0.527 173.707 174.700 -0.777 0.000 1.076 398 T CA -0.676 61.078 62.100 -0.576 0.000 1.070 398 T CB 1.272 69.732 68.868 -0.680 0.000 1.119 398 T HN 1.343 nan 8.240 nan 0.000 0.462 399 V N 1.446 120.997 119.914 -0.605 0.000 2.406 399 V HA 0.644 4.764 4.120 0.000 0.000 0.272 399 V C -0.466 175.374 176.094 -0.423 0.000 1.043 399 V CA -0.471 61.598 62.300 -0.385 0.000 0.915 399 V CB -0.091 31.586 31.823 -0.243 0.000 0.988 399 V HN 0.741 nan 8.190 nan 0.000 0.466 400 F N 4.402 124.307 119.950 -0.076 0.000 2.626 400 F HA 0.394 4.921 4.527 0.000 0.000 0.353 400 F C 1.360 176.936 175.800 -0.375 0.000 1.230 400 F CA -0.281 57.544 58.000 -0.291 0.000 1.298 400 F CB -0.237 38.525 39.000 -0.397 0.000 1.670 400 F HN 0.736 nan 8.300 nan 0.000 0.633 401 T N -1.787 112.733 114.554 -0.056 0.000 2.934 401 T HA 0.304 4.654 4.350 0.000 0.000 0.283 401 T C -1.723 173.061 174.700 0.141 0.000 1.005 401 T CA -2.221 59.912 62.100 0.054 0.000 1.041 401 T CB 1.765 70.675 68.868 0.071 0.000 1.042 401 T HN -0.031 nan 8.240 nan 0.000 0.505 402 P HA -0.168 nan 4.420 nan 0.000 0.225 402 P C 0.175 177.574 177.300 0.166 0.000 1.154 402 P CA 1.029 64.294 63.100 0.276 0.000 0.933 402 P CB -0.008 31.869 31.700 0.295 0.000 0.790 403 L N -0.387 120.807 121.223 -0.048 0.000 2.280 403 L HA 0.264 4.604 4.340 0.000 0.000 0.287 403 L C -0.106 176.742 176.870 -0.037 0.000 1.023 403 L CA -0.739 53.972 54.840 -0.214 0.000 0.819 403 L CB 0.544 42.117 42.059 -0.809 0.000 1.212 403 L HN -0.133 nan 8.230 nan 0.000 0.420 404 E N 3.423 123.665 120.200 0.070 0.000 2.392 404 E HA 0.046 4.396 4.350 0.000 0.000 0.264 404 E C -1.470 175.198 176.600 0.113 0.000 1.024 404 E CA 0.307 56.746 56.400 0.066 0.000 0.903 404 E CB 0.652 30.421 29.700 0.115 0.000 0.963 404 E HN 0.442 nan 8.360 nan 0.000 0.432 405 Y N 1.859 122.087 120.300 -0.119 0.000 2.376 405 Y HA 0.493 5.043 4.550 -0.000 0.000 0.326 405 Y C -0.359 175.484 175.900 -0.095 0.000 0.970 405 Y CA -1.199 56.852 58.100 -0.082 0.000 1.248 405 Y CB 0.960 39.344 38.460 -0.127 0.000 1.117 405 Y HN 0.477 nan 8.280 nan 0.000 0.476 406 G N 3.822 112.573 108.800 -0.082 0.000 2.416 406 G HA2 0.619 4.579 3.960 0.000 0.000 0.329 406 G HA3 0.619 4.579 3.960 0.000 0.000 0.329 406 G C -1.221 173.497 174.900 -0.303 0.000 1.173 406 G CA -0.418 44.529 45.100 -0.254 0.000 0.929 406 G HN 1.085 nan 8.290 nan 0.000 0.475 407 C N -0.338 118.742 119.300 -0.367 0.000 3.285 407 C HA 0.863 5.323 4.460 0.000 0.000 0.325 407 C C -0.955 173.901 174.990 -0.223 0.000 1.304 407 C CA -1.040 57.786 59.018 -0.320 0.000 1.319 407 C CB 1.204 28.753 27.740 -0.318 0.000 1.640 407 C HN 1.254 nan 8.230 nan 0.000 0.477 408 V N 2.398 122.168 119.914 -0.240 0.000 2.969 408 V HA 0.863 4.983 4.120 0.000 0.000 0.304 408 V C 0.294 176.316 176.094 -0.120 0.000 1.192 408 V CA 1.823 64.045 62.300 -0.129 0.000 0.962 408 V CB 1.518 33.298 31.823 -0.071 0.000 1.045 408 V HN 3.108 nan 8.190 nan 0.000 0.428 409 G N 4.505 113.278 108.800 -0.046 0.000 2.615 409 G HA2 -0.124 3.836 3.960 0.000 0.000 0.218 409 G HA3 -0.124 3.836 3.960 0.000 0.000 0.218 409 G C -0.617 174.309 174.900 0.042 0.000 1.339 409 G CA -0.303 44.795 45.100 -0.003 0.000 0.884 409 G HN 1.369 nan 8.290 nan 0.000 0.559 410 L N 0.581 121.854 121.223 0.084 0.000 2.456 410 L HA 0.424 4.764 4.340 0.000 0.000 0.272 410 L C 1.535 178.551 176.870 0.243 0.000 1.189 410 L CA 0.308 55.228 54.840 0.133 0.000 0.846 410 L CB 1.043 43.175 42.059 0.122 0.000 1.111 410 L HN 0.760 nan 8.230 nan 0.000 0.475 411 S N 1.072 116.892 115.700 0.200 0.000 2.585 411 S HA 0.007 4.477 4.470 0.000 0.000 0.273 411 S C 1.020 175.677 174.600 0.095 0.000 1.339 411 S CA -0.332 57.973 58.200 0.176 0.000 1.028 411 S CB 1.108 64.373 63.200 0.109 0.000 0.906 411 S HN 0.765 nan 8.310 nan 0.000 0.528 412 E N 1.973 122.171 120.200 -0.004 0.000 2.012 412 E HA -0.224 4.126 4.350 0.000 0.000 0.197 412 E C 1.915 178.523 176.600 0.014 0.000 1.007 412 E CA 1.838 58.236 56.400 -0.004 0.000 0.816 412 E CB -0.349 29.319 29.700 -0.054 0.000 0.762 412 E HN 0.880 nan 8.360 nan 0.000 0.451 413 E N 0.588 120.789 120.200 0.002 0.000 2.114 413 E HA -0.315 4.035 4.350 0.000 0.000 0.199 413 E C 2.000 178.619 176.600 0.031 0.000 1.008 413 E CA 1.796 58.203 56.400 0.012 0.000 0.810 413 E CB -0.472 29.233 29.700 0.009 0.000 0.739 413 E HN 0.319 nan 8.360 nan 0.000 0.456 414 E N 1.521 121.747 120.200 0.044 0.000 2.118 414 E HA -0.135 4.215 4.350 0.000 0.000 0.195 414 E C 2.022 178.669 176.600 0.078 0.000 0.992 414 E CA 1.710 58.142 56.400 0.053 0.000 0.804 414 E CB -0.309 29.429 29.700 0.063 0.000 0.741 414 E HN 0.386 nan 8.360 nan 0.000 0.458 415 A N 0.272 123.150 122.820 0.097 0.000 1.898 415 A HA -0.112 4.208 4.320 0.000 0.000 0.216 415 A C 2.460 180.148 177.584 0.173 0.000 1.181 415 A CA 1.722 53.851 52.037 0.154 0.000 0.620 415 A CB -0.973 18.086 19.000 0.099 0.000 0.819 415 A HN 0.382 nan 8.150 nan 0.000 0.442 416 V N -2.601 117.369 119.914 0.094 0.000 2.626 416 V HA 0.035 4.155 4.120 0.000 0.000 0.252 416 V C 2.384 178.516 176.094 0.064 0.000 1.067 416 V CA 1.691 64.040 62.300 0.081 0.000 1.081 416 V CB -1.235 30.611 31.823 0.039 0.000 0.686 416 V HN 0.480 nan 8.190 nan 0.000 0.468 417 A N 0.415 123.262 122.820 0.045 0.000 1.969 417 A HA 0.070 4.390 4.320 0.000 0.000 0.218 417 A C 2.009 179.582 177.584 -0.019 0.000 1.169 417 A CA 1.981 54.026 52.037 0.014 0.000 0.635 417 A CB -0.476 18.529 19.000 0.009 0.000 0.810 417 A HN 0.546 nan 8.150 nan 0.000 0.445 418 L N -1.718 119.488 121.223 -0.029 0.000 2.554 418 L HA 0.165 4.505 4.340 0.000 0.000 0.225 418 L C 1.741 178.344 176.870 -0.446 0.000 1.104 418 L CA 0.899 55.613 54.840 -0.209 0.000 0.866 418 L CB -0.053 41.859 42.059 -0.245 0.000 1.047 418 L HN 0.482 nan 8.230 nan 0.000 0.468 419 H N -1.824 117.248 119.070 0.004 0.000 3.436 419 H HA 0.458 5.014 4.556 0.000 0.000 0.244 419 H C 0.677 176.027 175.328 0.035 0.000 1.009 419 H CA 0.630 56.678 56.048 0.001 0.000 1.129 419 H CB 1.153 30.932 29.762 0.029 0.000 1.473 419 H HN 0.040 nan 8.280 nan 0.000 0.510 420 G N 2.531 111.427 108.800 0.159 0.000 3.055 420 G HA2 -0.229 3.731 3.960 0.000 0.000 0.686 420 G HA3 -0.229 3.731 3.960 0.000 0.000 0.686 420 G C 0.450 175.432 174.900 0.136 0.000 1.087 420 G CA 0.160 45.340 45.100 0.133 0.000 0.779 420 G HN 0.207 nan 8.290 nan 0.000 0.599 421 Q N 0.869 120.709 119.800 0.067 0.000 2.182 421 Q HA -0.235 4.106 4.340 0.000 0.000 0.213 421 Q C 2.094 178.093 176.000 -0.001 0.000 1.000 421 Q CA 2.785 58.600 55.803 0.019 0.000 0.889 421 Q CB -0.119 28.617 28.738 -0.004 0.000 0.932 421 Q HN 0.928 nan 8.270 nan 0.000 0.415 422 E N -0.976 119.235 120.200 0.017 0.000 2.219 422 E HA -0.209 4.141 4.350 0.000 0.000 0.198 422 E C 0.317 176.730 176.600 -0.313 0.000 0.998 422 E CA 1.300 57.635 56.400 -0.107 0.000 0.818 422 E CB 0.022 29.693 29.700 -0.049 0.000 0.741 422 E HN 0.531 nan 8.360 nan 0.000 0.477 423 H N -1.460 117.610 119.070 0.001 0.000 2.475 423 H HA 0.316 4.872 4.556 0.000 0.000 0.276 423 H C -1.157 174.140 175.328 -0.051 0.000 1.126 423 H CA -0.345 55.699 56.048 -0.007 0.000 1.023 423 H CB 0.954 30.738 29.762 0.037 0.000 1.669 423 H HN -0.141 nan 8.280 nan 0.000 0.573 424 V N 0.740 120.645 119.914 -0.015 0.000 2.588 424 V HA 0.291 4.412 4.120 0.000 0.000 0.304 424 V C -0.469 175.540 176.094 -0.142 0.000 1.042 424 V CA -0.915 61.341 62.300 -0.073 0.000 0.877 424 V CB 2.572 34.370 31.823 -0.042 0.000 0.996 424 V HN 0.188 nan 8.190 nan 0.000 0.425 425 E N 3.252 123.334 120.200 -0.198 0.000 2.187 425 E HA 0.662 5.012 4.350 0.000 0.000 0.268 425 E C -1.456 174.889 176.600 -0.424 0.000 0.896 425 E CA -0.400 55.791 56.400 -0.349 0.000 0.766 425 E CB 2.002 31.457 29.700 -0.409 0.000 1.142 425 E HN 0.392 nan 8.360 nan 0.000 0.408 426 V N 5.746 125.367 119.914 -0.488 0.000 2.378 426 V HA 0.364 4.484 4.120 0.000 0.000 0.288 426 V C -0.935 174.850 176.094 -0.514 0.000 1.016 426 V CA -0.725 61.337 62.300 -0.396 0.000 0.840 426 V CB 0.498 32.163 31.823 -0.263 0.000 0.994 426 V HN 0.627 nan 8.190 nan 0.000 0.431 427 Y N 4.608 124.793 120.300 -0.192 0.000 2.323 427 Y HA 0.664 5.214 4.550 -0.000 0.000 0.331 427 Y C 0.693 176.572 175.900 -0.035 0.000 1.092 427 Y CA -0.335 57.680 58.100 -0.142 0.000 1.150 427 Y CB 1.238 39.587 38.460 -0.186 0.000 1.200 427 Y HN 0.845 nan 8.280 nan 0.000 0.472 428 H N -0.056 119.007 119.070 -0.011 0.000 2.990 428 H HA 0.981 5.537 4.556 0.000 0.000 0.343 428 H C -1.745 173.492 175.328 -0.151 0.000 1.270 428 H CA -1.616 54.324 56.048 -0.181 0.000 1.118 428 H CB 2.040 31.698 29.762 -0.174 0.000 1.861 428 H HN 0.754 nan 8.280 nan 0.000 0.544 429 A N 0.948 123.535 122.820 -0.388 0.000 2.583 429 A HA 0.418 4.738 4.320 0.000 0.000 0.298 429 A C -2.344 175.090 177.584 -0.249 0.000 1.055 429 A CA -0.773 51.116 52.037 -0.246 0.000 0.714 429 A CB 0.790 19.759 19.000 -0.052 0.000 1.277 429 A HN 0.566 nan 8.150 nan 0.000 0.406 430 Y N 1.307 121.638 120.300 0.051 0.000 2.330 430 Y HA 0.588 5.138 4.550 0.000 0.000 0.336 430 Y C 0.205 176.130 175.900 0.041 0.000 1.036 430 Y CA 0.378 58.505 58.100 0.044 0.000 1.125 430 Y CB 1.400 39.861 38.460 0.002 0.000 1.194 430 Y HN 0.777 nan 8.280 nan 0.000 0.469 431 Y N -0.214 120.125 120.300 0.066 0.000 2.665 431 Y HA 0.741 5.291 4.550 0.000 0.000 0.336 431 Y C -1.465 174.433 175.900 -0.004 0.000 1.085 431 Y CA -1.979 56.135 58.100 0.023 0.000 1.096 431 Y CB 1.663 40.111 38.460 -0.020 0.000 1.301 431 Y HN 0.398 nan 8.280 nan 0.000 0.493 432 K N 2.266 122.706 120.400 0.067 0.000 2.579 432 K HA 0.502 4.822 4.320 0.000 0.000 0.250 432 K C -3.115 173.512 176.600 0.046 0.000 0.952 432 K CA -1.994 54.260 56.287 -0.055 0.000 0.857 432 K CB 1.626 34.139 32.500 0.021 0.000 1.123 432 K HN 0.484 nan 8.250 nan 0.000 0.433 433 P HA -0.086 nan 4.420 nan 0.000 0.264 433 P C 0.652 177.991 177.300 0.066 0.000 1.193 433 P CA -0.351 62.694 63.100 -0.092 0.000 0.763 433 P CB 0.546 31.907 31.700 -0.566 0.000 0.810 434 L N 4.700 125.991 121.223 0.113 0.000 2.021 434 L HA -0.248 4.092 4.340 0.000 0.000 0.215 434 L C 1.615 178.618 176.870 0.220 0.000 1.074 434 L CA 2.130 57.053 54.840 0.139 0.000 0.760 434 L CB -1.289 40.828 42.059 0.097 0.000 0.889 434 L HN 0.311 nan 8.230 nan 0.000 0.433 435 E N -0.964 119.404 120.200 0.280 0.000 2.267 435 E HA -0.200 4.150 4.350 0.000 0.000 0.197 435 E C 1.912 178.812 176.600 0.500 0.000 0.998 435 E CA 1.200 57.841 56.400 0.402 0.000 0.830 435 E CB -0.403 29.503 29.700 0.342 0.000 0.751 435 E HN 0.475 nan 8.360 nan 0.000 0.491 436 F N 0.477 120.512 119.950 0.142 0.000 2.367 436 F HA -0.075 4.452 4.527 0.000 0.000 0.298 436 F C 2.461 178.293 175.800 0.055 0.000 1.094 436 F CA 1.316 59.376 58.000 0.099 0.000 1.409 436 F CB -1.157 37.891 39.000 0.080 0.000 1.064 436 F HN 0.104 nan 8.300 nan 0.000 0.528 437 T N -2.419 112.282 114.554 0.245 0.000 2.674 437 T HA -0.148 4.202 4.350 0.000 0.000 0.265 437 T C 2.054 176.759 174.700 0.008 0.000 1.039 437 T CA 1.774 63.940 62.100 0.109 0.000 1.150 437 T CB -1.093 67.828 68.868 0.088 0.000 0.864 437 T HN 0.065 nan 8.240 nan 0.000 0.427 438 V N 1.903 121.796 119.914 -0.035 0.000 2.667 438 V HA 0.159 4.279 4.120 0.000 0.000 0.252 438 V C 3.105 179.040 176.094 -0.264 0.000 1.065 438 V CA 1.256 63.416 62.300 -0.234 0.000 1.083 438 V CB -1.104 30.353 31.823 -0.609 0.000 0.692 438 V HN 0.726 nan 8.190 nan 0.000 0.468 439 A N -0.539 122.228 122.820 -0.088 0.000 2.169 439 A HA 0.000 4.320 4.320 0.000 0.000 0.212 439 A C 1.182 178.451 177.584 -0.525 0.000 1.153 439 A CA 0.888 52.793 52.037 -0.220 0.000 0.756 439 A CB -0.392 18.657 19.000 0.082 0.000 0.813 439 A HN 0.640 nan 8.150 nan 0.000 0.471 440 D N -0.909 119.325 120.400 -0.277 0.000 2.723 440 D HA -0.192 4.448 4.640 0.000 0.000 0.236 440 D C 0.113 176.346 176.300 -0.111 0.000 1.138 440 D CA 1.256 55.148 54.000 -0.179 0.000 0.676 440 D CB -1.484 39.181 40.800 -0.225 0.000 1.069 440 D HN 0.836 nan 8.370 nan 0.000 0.430 441 R N -0.164 120.283 120.500 -0.088 0.000 2.387 441 R HA 0.514 4.854 4.340 0.000 0.000 0.314 441 R C -0.372 175.960 176.300 0.054 0.000 0.958 441 R CA -0.926 55.120 56.100 -0.090 0.000 0.846 441 R CB 1.178 31.303 30.300 -0.293 0.000 1.147 441 R HN -0.039 nan 8.270 nan 0.000 0.447 442 D N 3.031 123.506 120.400 0.126 0.000 2.877 442 D HA -0.154 4.486 4.640 0.000 0.000 0.220 442 D C 0.311 176.807 176.300 0.327 0.000 1.089 442 D CA 0.997 55.120 54.000 0.205 0.000 0.811 442 D CB 0.891 41.831 40.800 0.233 0.000 1.162 442 D HN 0.719 nan 8.370 nan 0.000 0.513 443 A N 3.118 126.088 122.820 0.249 0.000 2.348 443 A HA 0.191 4.511 4.320 0.000 0.000 0.224 443 A C 1.070 178.699 177.584 0.075 0.000 1.227 443 A CA -0.210 51.936 52.037 0.181 0.000 0.885 443 A CB 0.096 19.128 19.000 0.054 0.000 0.933 443 A HN 0.475 nan 8.150 nan 0.000 0.506 444 S N -0.109 115.657 115.700 0.110 0.000 2.563 444 S HA 0.182 4.652 4.470 0.000 0.000 0.269 444 S C 0.851 175.531 174.600 0.133 0.000 1.364 444 S CA 0.654 58.902 58.200 0.079 0.000 1.010 444 S CB 0.419 63.656 63.200 0.061 0.000 0.877 444 S HN 0.563 nan 8.310 nan 0.000 0.549 445 Q N -2.144 117.750 119.800 0.156 0.000 2.261 445 Q HA -0.208 4.132 4.340 0.000 0.000 0.155 445 Q C -0.014 175.986 176.000 -0.000 0.000 0.598 445 Q CA 1.462 57.330 55.803 0.108 0.000 1.376 445 Q CB -2.082 26.726 28.738 0.117 0.000 1.356 445 Q HN 0.680 nan 8.270 nan 0.000 0.947 446 C N 1.952 121.194 119.300 -0.098 0.000 2.311 446 C HA 0.438 4.898 4.460 0.000 0.000 0.357 446 C C -0.090 174.680 174.990 -0.368 0.000 1.086 446 C CA -0.444 58.304 59.018 -0.449 0.000 1.486 446 C CB -1.777 25.393 27.740 -0.950 0.000 1.974 446 C HN 0.274 nan 8.230 nan 0.000 0.508 447 Y N 3.030 123.113 120.300 -0.361 0.000 2.499 447 Y HA 0.797 5.347 4.550 -0.000 0.000 0.347 447 Y C -0.655 175.114 175.900 -0.220 0.000 0.987 447 Y CA -1.486 56.339 58.100 -0.458 0.000 1.044 447 Y CB 0.884 38.983 38.460 -0.601 0.000 1.245 447 Y HN 0.510 nan 8.280 nan 0.000 0.461 448 I N 6.142 126.269 120.570 -0.739 0.000 2.534 448 I HA 0.409 4.579 4.170 0.000 0.000 0.288 448 I C -1.430 174.311 176.117 -0.626 0.000 1.077 448 I CA -0.914 60.099 61.300 -0.478 0.000 1.051 448 I CB 2.095 39.972 38.000 -0.206 0.000 1.234 448 I HN 0.595 nan 8.210 nan 0.000 0.425 449 K N 6.880 127.071 120.400 -0.347 0.000 2.422 449 K HA 0.745 5.065 4.320 0.000 0.000 0.251 449 K C -1.608 175.011 176.600 0.032 0.000 0.933 449 K CA -0.891 55.290 56.287 -0.175 0.000 0.798 449 K CB 3.158 35.577 32.500 -0.134 0.000 1.238 449 K HN 0.648 nan 8.250 nan 0.000 0.428 450 M N 4.270 123.898 119.600 0.047 0.000 2.134 450 M HA 0.242 4.722 4.480 0.000 0.000 0.310 450 M C -1.679 174.667 176.300 0.078 0.000 0.966 450 M CA -0.883 54.463 55.300 0.077 0.000 0.922 450 M CB 1.732 34.376 32.600 0.073 0.000 1.537 450 M HN 0.530 nan 8.290 nan 0.000 0.424 451 V N 5.223 125.189 119.914 0.087 0.000 2.408 451 V HA 0.357 4.477 4.120 0.000 0.000 0.267 451 V C -0.176 175.930 176.094 0.020 0.000 1.047 451 V CA -0.373 61.948 62.300 0.036 0.000 0.937 451 V CB 0.234 32.106 31.823 0.082 0.000 0.999 451 V HN 0.996 nan 8.190 nan 0.000 0.472 452 C N 4.542 123.827 119.300 -0.025 0.000 2.973 452 C HA 0.703 5.163 4.460 0.000 0.000 0.329 452 C C 0.209 175.154 174.990 -0.076 0.000 1.327 452 C CA -1.065 57.947 59.018 -0.011 0.000 1.632 452 C CB 1.619 29.395 27.740 0.061 0.000 2.098 452 C HN 0.795 nan 8.230 nan 0.000 0.469 453 M N 1.534 121.092 119.600 -0.070 0.000 2.233 453 M HA 0.276 4.756 4.480 0.000 0.000 0.350 453 M C 1.498 177.770 176.300 -0.047 0.000 1.176 453 M CA 0.225 55.461 55.300 -0.106 0.000 1.150 453 M CB 0.368 32.910 32.600 -0.096 0.000 1.530 453 M HN 0.696 nan 8.290 nan 0.000 0.459 454 R N 1.967 122.440 120.500 -0.045 0.000 2.092 454 R HA -0.046 4.294 4.340 0.000 0.000 0.231 454 R C -0.216 176.083 176.300 -0.001 0.000 1.119 454 R CA 0.914 56.984 56.100 -0.049 0.000 0.970 454 R CB 0.006 30.255 30.300 -0.085 0.000 0.864 454 R HN 0.760 nan 8.270 nan 0.000 0.440 455 E N 2.080 122.298 120.200 0.029 0.000 2.344 455 E HA 0.170 4.520 4.350 0.000 0.000 0.270 455 E C -2.459 174.175 176.600 0.056 0.000 1.021 455 E CA -2.448 53.980 56.400 0.047 0.000 0.887 455 E CB 0.421 30.163 29.700 0.070 0.000 0.997 455 E HN 0.073 nan 8.360 nan 0.000 0.429 456 P HA 0.022 nan 4.420 nan 0.000 0.269 456 P C -1.544 175.793 177.300 0.062 0.000 1.217 456 P CA -0.811 62.335 63.100 0.076 0.000 0.783 456 P CB -0.031 31.711 31.700 0.070 0.000 0.898 457 P HA -0.076 nan 4.420 nan 0.000 0.242 457 P C -0.557 176.819 177.300 0.126 0.000 1.197 457 P CA 0.574 63.722 63.100 0.081 0.000 0.765 457 P CB 0.036 31.769 31.700 0.055 0.000 0.936 458 Q N -1.050 118.816 119.800 0.110 0.000 2.371 458 Q HA -0.132 4.208 4.340 0.000 0.000 0.312 458 Q C -0.338 175.732 176.000 0.117 0.000 1.378 458 Q CA -0.216 55.660 55.803 0.122 0.000 0.744 458 Q CB -1.896 26.962 28.738 0.201 0.000 1.042 458 Q HN 0.224 nan 8.270 nan 0.000 0.344 459 L N 0.492 121.755 121.223 0.067 0.000 2.514 459 L HA 0.100 4.440 4.340 0.000 0.000 0.280 459 L C -0.100 176.803 176.870 0.054 0.000 1.223 459 L CA 0.472 55.345 54.840 0.056 0.000 0.864 459 L CB 0.934 43.012 42.059 0.031 0.000 1.118 459 L HN 0.205 nan 8.230 nan 0.000 0.494 460 V N 6.892 126.848 119.914 0.070 0.000 2.488 460 V HA 0.066 4.186 4.120 0.000 0.000 0.277 460 V C 1.123 177.241 176.094 0.040 0.000 1.046 460 V CA -0.459 61.882 62.300 0.069 0.000 0.986 460 V CB 1.145 33.020 31.823 0.088 0.000 0.989 460 V HN 0.731 nan 8.190 nan 0.000 0.475 461 L N 3.747 124.986 121.223 0.027 0.000 2.357 461 L HA 0.443 4.783 4.340 0.000 0.000 0.211 461 L C 1.002 177.899 176.870 0.045 0.000 1.075 461 L CA 1.180 56.038 54.840 0.030 0.000 0.830 461 L CB -0.522 41.542 42.059 0.008 0.000 0.996 461 L HN 0.812 nan 8.230 nan 0.000 0.467 462 G N -0.295 108.533 108.800 0.047 0.000 2.703 462 G HA2 0.482 4.442 3.960 0.000 0.000 0.294 462 G HA3 0.482 4.442 3.960 0.000 0.000 0.294 462 G C -2.122 172.751 174.900 -0.046 0.000 1.451 462 G CA -0.241 44.864 45.100 0.009 0.000 0.869 462 G HN -0.144 nan 8.290 nan 0.000 0.516 463 L N 0.977 122.053 121.223 -0.245 0.000 2.386 463 L HA 0.764 5.104 4.340 0.000 0.000 0.271 463 L C -1.439 175.139 176.870 -0.487 0.000 0.993 463 L CA -0.792 53.910 54.840 -0.229 0.000 0.819 463 L CB 1.954 43.892 42.059 -0.201 0.000 1.294 463 L HN 0.762 nan 8.230 nan 0.000 0.414 464 H N 4.584 123.686 119.070 0.053 0.000 2.689 464 H HA 0.475 5.031 4.556 -0.000 0.000 0.346 464 H C -1.486 173.947 175.328 0.174 0.000 1.037 464 H CA -0.213 55.940 56.048 0.176 0.000 1.234 464 H CB 2.031 31.939 29.762 0.243 0.000 1.572 464 H HN 0.491 nan 8.280 nan 0.000 0.524 465 F N 3.689 123.733 119.950 0.157 0.000 2.529 465 F HA 0.538 5.065 4.527 -0.000 0.000 0.320 465 F C -1.835 174.098 175.800 0.223 0.000 1.118 465 F CA -1.121 56.936 58.000 0.095 0.000 0.915 465 F CB 1.151 40.139 39.000 -0.020 0.000 1.161 465 F HN 0.410 nan 8.300 nan 0.000 0.445 466 L N 6.033 126.970 121.223 -0.477 0.000 2.404 466 L HA 0.925 5.265 4.340 0.000 0.000 0.272 466 L C -0.509 176.061 176.870 -0.499 0.000 0.980 466 L CA 0.025 54.711 54.840 -0.257 0.000 0.836 466 L CB 1.121 43.101 42.059 -0.132 0.000 1.238 466 L HN 0.863 nan 8.230 nan 0.000 0.408 467 G N 4.173 112.848 108.800 -0.208 0.000 2.333 467 G HA2 0.255 4.215 3.960 0.000 0.000 0.288 467 G HA3 0.255 4.215 3.960 0.000 0.000 0.288 467 G C -3.381 171.694 174.900 0.291 0.000 1.286 467 G CA -0.716 44.378 45.100 -0.010 0.000 0.865 467 G HN 0.340 nan 8.290 nan 0.000 0.506 468 P HA 0.218 nan 4.420 nan 0.000 0.268 468 P C -0.304 177.192 177.300 0.326 0.000 1.204 468 P CA 0.053 63.352 63.100 0.331 0.000 0.768 468 P CB 0.232 32.122 31.700 0.316 0.000 0.842 469 N N 0.933 119.787 118.700 0.256 0.000 2.714 469 N HA -0.235 4.505 4.740 0.000 0.000 0.253 469 N C 0.893 176.475 175.510 0.120 0.000 1.024 469 N CA 0.906 54.063 53.050 0.179 0.000 0.726 469 N CB -1.308 37.245 38.487 0.109 0.000 0.908 469 N HN 0.544 nan 8.380 nan 0.000 0.542 470 A N 0.228 123.164 122.820 0.194 0.000 1.898 470 A HA 0.042 4.362 4.320 0.000 0.000 0.216 470 A C 2.248 179.810 177.584 -0.037 0.000 1.181 470 A CA 2.035 54.170 52.037 0.164 0.000 0.620 470 A CB -0.633 18.520 19.000 0.255 0.000 0.819 470 A HN 0.543 nan 8.150 nan 0.000 0.442 471 G N -0.583 108.201 108.800 -0.026 0.000 2.408 471 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 471 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 471 G C 1.346 176.239 174.900 -0.011 0.000 1.150 471 G CA 0.903 45.989 45.100 -0.024 0.000 0.776 471 G HN 0.450 nan 8.290 nan 0.000 0.542 472 E N 0.478 120.679 120.200 0.001 0.000 2.110 472 E HA -0.073 4.277 4.350 0.000 0.000 0.193 472 E C 2.824 179.367 176.600 -0.095 0.000 0.988 472 E CA 0.656 57.038 56.400 -0.030 0.000 0.804 472 E CB -0.470 29.223 29.700 -0.012 0.000 0.745 472 E HN 0.345 nan 8.360 nan 0.000 0.458 473 V N 1.136 120.941 119.914 -0.183 0.000 2.346 473 V HA -0.173 3.947 4.120 0.000 0.000 0.244 473 V C 2.325 178.389 176.094 -0.049 0.000 1.037 473 V CA 1.995 64.146 62.300 -0.248 0.000 1.029 473 V CB -0.828 30.536 31.823 -0.765 0.000 0.663 473 V HN 0.256 nan 8.190 nan 0.000 0.454 474 T N -0.580 113.928 114.554 -0.077 0.000 2.746 474 T HA -0.288 4.062 4.350 0.000 0.000 0.267 474 T C 1.849 176.584 174.700 0.058 0.000 1.039 474 T CA 1.785 63.908 62.100 0.038 0.000 1.142 474 T CB -0.284 68.557 68.868 -0.046 0.000 0.866 474 T HN 0.388 nan 8.240 nan 0.000 0.444 475 Q N 1.385 121.175 119.800 -0.017 0.000 1.991 475 Q HA -0.163 4.177 4.340 0.000 0.000 0.213 475 Q C 2.485 178.443 176.000 -0.071 0.000 1.022 475 Q CA 2.515 58.295 55.803 -0.039 0.000 0.877 475 Q CB -1.269 27.439 28.738 -0.050 0.000 0.970 475 Q HN 0.518 nan 8.270 nan 0.000 0.414 476 G N -1.163 107.543 108.800 -0.157 0.000 2.469 476 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 476 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 476 G C 1.115 175.826 174.900 -0.314 0.000 1.150 476 G CA 1.049 45.977 45.100 -0.287 0.000 0.763 476 G HN 0.422 nan 8.290 nan 0.000 0.561 477 F N 1.657 121.557 119.950 -0.085 0.000 2.365 477 F HA 0.146 4.673 4.527 -0.000 0.000 0.300 477 F C 2.879 178.643 175.800 -0.060 0.000 1.090 477 F CA 0.481 58.438 58.000 -0.071 0.000 1.408 477 F CB -0.230 38.722 39.000 -0.080 0.000 1.060 477 F HN 0.248 nan 8.300 nan 0.000 0.534 478 A N -0.074 122.786 122.820 0.066 0.000 1.930 478 A HA -0.147 4.173 4.320 0.000 0.000 0.217 478 A C 2.117 179.701 177.584 0.000 0.000 1.175 478 A CA 1.356 53.407 52.037 0.023 0.000 0.627 478 A CB -0.946 18.051 19.000 -0.005 0.000 0.815 478 A HN 0.347 nan 8.150 nan 0.000 0.443 479 L N 0.093 121.298 121.223 -0.031 0.000 2.141 479 L HA 0.016 4.356 4.340 0.000 0.000 0.209 479 L C 2.323 179.178 176.870 -0.025 0.000 1.094 479 L CA 2.052 56.868 54.840 -0.041 0.000 0.763 479 L CB -0.848 41.168 42.059 -0.072 0.000 0.908 479 L HN 0.291 nan 8.230 nan 0.000 0.437 480 G N -0.200 108.592 108.800 -0.013 0.000 2.418 480 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 480 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 480 G C 1.610 176.533 174.900 0.038 0.000 1.158 480 G CA 1.188 46.300 45.100 0.021 0.000 0.771 480 G HN 0.471 nan 8.290 nan 0.000 0.545 481 I N -0.122 120.476 120.570 0.046 0.000 2.439 481 I HA -0.028 4.142 4.170 0.000 0.000 0.251 481 I C 2.575 178.705 176.117 0.023 0.000 1.139 481 I CA 0.887 62.210 61.300 0.039 0.000 1.438 481 I CB -0.003 38.019 38.000 0.037 0.000 1.085 481 I HN 0.055 nan 8.210 nan 0.000 0.427 482 K N 0.320 120.727 120.400 0.011 0.000 2.362 482 K HA -0.143 4.177 4.320 0.000 0.000 0.200 482 K C 1.937 178.538 176.600 0.003 0.000 1.046 482 K CA 0.906 57.195 56.287 0.003 0.000 0.952 482 K CB -0.342 32.153 32.500 -0.008 0.000 0.753 482 K HN 0.388 nan 8.250 nan 0.000 0.466 483 C N -1.207 118.095 119.300 0.004 0.000 2.799 483 C HA 0.403 4.863 4.460 0.000 0.000 0.267 483 C C 1.240 176.236 174.990 0.010 0.000 1.257 483 C CA 0.517 59.535 59.018 0.001 0.000 1.702 483 C CB -1.128 26.608 27.740 -0.007 0.000 1.934 483 C HN 0.671 nan 8.230 nan 0.000 0.594 484 G N 1.175 109.986 108.800 0.019 0.000 2.132 484 G HA2 0.052 4.012 3.960 0.000 0.000 0.228 484 G HA3 0.052 4.012 3.960 0.000 0.000 0.228 484 G C 0.290 175.208 174.900 0.030 0.000 1.000 484 G CA 0.310 45.425 45.100 0.025 0.000 0.693 484 G HN 1.400 nan 8.290 nan 0.000 0.515 485 A N -0.234 122.607 122.820 0.034 0.000 2.615 485 A HA 0.549 4.869 4.320 0.000 0.000 0.230 485 A C 1.101 178.718 177.584 0.055 0.000 1.062 485 A CA 1.484 53.546 52.037 0.041 0.000 0.758 485 A CB 0.195 19.229 19.000 0.057 0.000 0.995 485 A HN 2.208 nan 8.150 nan 0.000 0.511 486 S N 0.062 115.793 115.700 0.052 0.000 2.599 486 S HA 0.474 4.944 4.470 0.000 0.000 0.294 486 S C 0.358 175.014 174.600 0.093 0.000 1.094 486 S CA -0.190 58.057 58.200 0.078 0.000 0.931 486 S CB 0.796 64.031 63.200 0.058 0.000 1.093 486 S HN 0.905 nan 8.310 nan 0.000 0.488 487 Y N 1.939 122.253 120.300 0.024 0.000 2.274 487 Y HA 0.009 4.559 4.550 -0.000 0.000 0.290 487 Y C 2.367 178.250 175.900 -0.029 0.000 1.145 487 Y CA 1.760 59.858 58.100 -0.004 0.000 1.203 487 Y CB -0.936 37.543 38.460 0.032 0.000 0.984 487 Y HN 0.883 nan 8.280 nan 0.000 0.533 488 A N 0.130 122.898 122.820 -0.086 0.000 1.902 488 A HA -0.257 4.063 4.320 0.000 0.000 0.217 488 A C 2.115 179.592 177.584 -0.177 0.000 1.181 488 A CA 2.007 53.955 52.037 -0.148 0.000 0.623 488 A CB -0.670 18.313 19.000 -0.029 0.000 0.818 488 A HN 0.655 nan 8.150 nan 0.000 0.443 489 Q N -0.571 119.165 119.800 -0.106 0.000 2.172 489 Q HA -0.063 4.277 4.340 0.000 0.000 0.200 489 Q C 2.071 178.000 176.000 -0.119 0.000 0.964 489 Q CA 1.335 57.087 55.803 -0.085 0.000 0.855 489 Q CB -0.301 28.416 28.738 -0.034 0.000 0.918 489 Q HN 0.492 nan 8.270 nan 0.000 0.444 490 V N 1.015 120.833 119.914 -0.161 0.000 2.343 490 V HA -0.276 3.844 4.120 0.000 0.000 0.247 490 V C 2.143 178.086 176.094 -0.252 0.000 1.051 490 V CA 1.713 63.919 62.300 -0.157 0.000 1.036 490 V CB -0.452 31.292 31.823 -0.132 0.000 0.654 490 V HN 0.435 nan 8.190 nan 0.000 0.451 491 M N 0.188 119.522 119.600 -0.443 0.000 2.296 491 M HA -0.182 4.298 4.480 0.000 0.000 0.265 491 M C 2.050 178.228 176.300 -0.204 0.000 1.064 491 M CA 1.522 56.597 55.300 -0.374 0.000 1.109 491 M CB -0.341 31.978 32.600 -0.468 0.000 1.396 491 M HN 0.560 nan 8.290 nan 0.000 0.430 492 Q N -0.573 119.128 119.800 -0.165 0.000 2.320 492 Q HA 0.113 4.453 4.340 0.000 0.000 0.201 492 Q C -0.419 175.533 176.000 -0.080 0.000 0.910 492 Q CA 0.257 55.996 55.803 -0.106 0.000 0.946 492 Q CB -0.178 28.508 28.738 -0.087 0.000 1.062 492 Q HN 0.124 nan 8.270 nan 0.000 0.503 493 T N 1.577 116.083 114.554 -0.080 0.000 2.781 493 T HA 0.324 4.674 4.350 0.000 0.000 0.305 493 T C -0.199 174.476 174.700 -0.042 0.000 1.001 493 T CA -0.430 61.639 62.100 -0.051 0.000 0.950 493 T CB 1.429 70.280 68.868 -0.030 0.000 0.955 493 T HN 0.043 nan 8.240 nan 0.000 0.471 494 V N 3.305 123.195 119.914 -0.040 0.000 2.999 494 V HA 0.423 4.543 4.120 0.000 0.000 0.307 494 V C 1.202 177.286 176.094 -0.016 0.000 1.084 494 V CA 0.094 62.375 62.300 -0.033 0.000 1.155 494 V CB 1.050 32.854 31.823 -0.031 0.000 0.975 494 V HN 0.974 nan 8.190 nan 0.000 0.490 495 G N 3.529 112.325 108.800 -0.006 0.000 2.462 495 G HA2 0.612 4.572 3.960 0.000 0.000 0.319 495 G HA3 0.612 4.572 3.960 0.000 0.000 0.319 495 G C -0.669 174.251 174.900 0.032 0.000 1.171 495 G CA -0.822 44.288 45.100 0.017 0.000 0.920 495 G HN 0.630 nan 8.290 nan 0.000 0.499 496 I N 0.854 121.447 120.570 0.038 0.000 2.304 496 I HA 0.188 4.358 4.170 0.000 0.000 0.291 496 I C -0.325 175.848 176.117 0.093 0.000 1.018 496 I CA -0.562 60.763 61.300 0.043 0.000 1.260 496 I CB 1.137 39.141 38.000 0.006 0.000 1.390 496 I HN 0.480 nan 8.210 nan 0.000 0.475 497 H N 8.273 127.340 119.070 -0.004 0.000 2.466 497 H HA 0.592 5.148 4.556 0.000 0.000 0.338 497 H C -2.454 172.881 175.328 0.011 0.000 1.091 497 H CA -1.637 54.413 56.048 0.004 0.000 1.207 497 H CB 1.535 31.299 29.762 0.003 0.000 1.466 497 H HN 0.359 nan 8.280 nan 0.000 0.493 498 P HA 0.370 nan 4.420 nan 0.000 0.304 498 P C -1.345 175.883 177.300 -0.119 0.000 1.365 498 P CA -0.615 62.190 63.100 -0.492 0.000 0.935 498 P CB 2.169 33.395 31.700 -0.789 0.000 1.091 499 T N -1.646 112.905 114.554 -0.004 0.000 2.762 499 T HA 0.257 4.607 4.350 0.000 0.000 0.301 499 T C 0.673 175.380 174.700 0.011 0.000 1.299 499 T CA -0.457 61.646 62.100 0.005 0.000 1.005 499 T CB 0.672 69.538 68.868 -0.003 0.000 1.377 499 T HN 0.329 nan 8.240 nan 0.000 0.504 500 C N 1.070 120.368 119.300 -0.002 0.000 2.522 500 C HA 0.071 4.531 4.460 0.000 0.000 0.280 500 C C 3.189 178.119 174.990 -0.101 0.000 1.303 500 C CA 1.141 60.124 59.018 -0.059 0.000 1.709 500 C CB -1.181 26.615 27.740 0.095 0.000 2.071 500 C HN 1.042 nan 8.230 nan 0.000 0.492 501 S N 2.644 118.291 115.700 -0.088 0.000 2.420 501 S HA -0.274 4.197 4.470 0.000 0.000 0.237 501 S C 1.586 176.198 174.600 0.020 0.000 1.023 501 S CA 1.925 60.087 58.200 -0.063 0.000 0.991 501 S CB -0.904 62.287 63.200 -0.015 0.000 0.792 501 S HN 0.890 nan 8.310 nan 0.000 0.488 502 E N 1.351 121.558 120.200 0.013 0.000 2.204 502 E HA -0.205 4.145 4.350 0.000 0.000 0.195 502 E C 1.718 178.321 176.600 0.005 0.000 0.990 502 E CA 1.167 57.587 56.400 0.035 0.000 0.821 502 E CB -0.362 29.372 29.700 0.057 0.000 0.750 502 E HN 0.398 nan 8.360 nan 0.000 0.477 503 E N 0.989 121.159 120.200 -0.050 0.000 2.118 503 E HA -0.145 4.205 4.350 0.000 0.000 0.195 503 E C 2.341 178.902 176.600 -0.065 0.000 0.992 503 E CA 1.134 57.487 56.400 -0.078 0.000 0.804 503 E CB -0.248 29.301 29.700 -0.251 0.000 0.741 503 E HN 0.256 nan 8.360 nan 0.000 0.458 504 V N 0.726 120.585 119.914 -0.091 0.000 2.392 504 V HA -0.202 3.918 4.120 0.000 0.000 0.249 504 V C 2.436 178.476 176.094 -0.089 0.000 1.059 504 V CA 1.349 63.547 62.300 -0.171 0.000 1.051 504 V CB -0.380 31.163 31.823 -0.467 0.000 0.658 504 V HN 0.084 nan 8.190 nan 0.000 0.455 505 V N -0.830 119.085 119.914 0.001 0.000 3.129 505 V HA -0.057 4.063 4.120 0.000 0.000 0.259 505 V C 2.084 178.173 176.094 -0.007 0.000 1.116 505 V CA 1.330 63.644 62.300 0.023 0.000 1.127 505 V CB -0.278 31.584 31.823 0.065 0.000 0.742 505 V HN 0.535 nan 8.190 nan 0.000 0.474 506 K N -0.280 120.125 120.400 0.007 0.000 2.426 506 K HA 0.215 4.535 4.320 0.000 0.000 0.193 506 K C 0.403 177.074 176.600 0.118 0.000 1.028 506 K CA -0.078 56.220 56.287 0.018 0.000 1.047 506 K CB 0.135 32.643 32.500 0.014 0.000 0.821 506 K HN 0.347 nan 8.250 nan 0.000 0.513 507 L N 2.889 124.183 121.223 0.117 0.000 2.601 507 L HA -0.106 4.234 4.340 0.000 0.000 0.277 507 L C 1.378 178.383 176.870 0.225 0.000 1.219 507 L CA 0.458 55.400 54.840 0.169 0.000 0.915 507 L CB 0.081 42.198 42.059 0.095 0.000 1.160 507 L HN 0.457 nan 8.230 nan 0.000 0.494 508 H N 2.254 121.362 119.070 0.064 0.000 3.838 508 H HA 0.273 4.829 4.556 0.000 0.000 0.255 508 H C 0.327 175.792 175.328 0.229 0.000 1.074 508 H CA -0.304 55.792 56.048 0.080 0.000 1.143 508 H CB 0.229 30.037 29.762 0.077 0.000 1.479 508 H HN 0.387 nan 8.280 nan 0.000 0.644 509 I N 4.358 124.785 120.570 -0.239 0.000 2.308 509 I HA 0.102 4.272 4.170 0.000 0.000 0.293 509 I C 0.660 176.892 176.117 0.192 0.000 1.078 509 I CA -0.388 60.878 61.300 -0.057 0.000 1.292 509 I CB 0.951 38.848 38.000 -0.172 0.000 1.423 509 I HN 0.247 nan 8.210 nan 0.000 0.493 510 S N 5.770 121.523 115.700 0.088 0.000 2.614 510 S HA 0.275 4.745 4.470 0.000 0.000 0.265 510 S C 0.888 175.369 174.600 -0.199 0.000 1.303 510 S CA -0.600 57.461 58.200 -0.232 0.000 1.000 510 S CB 1.594 64.540 63.200 -0.423 0.000 0.935 510 S HN 0.586 nan 8.310 nan 0.000 0.551 511 K N 0.328 120.506 120.400 -0.371 0.000 2.167 511 K HA 0.005 4.325 4.320 0.000 0.000 0.203 511 K C 2.421 178.913 176.600 -0.179 0.000 1.052 511 K CA 0.598 56.679 56.287 -0.343 0.000 0.956 511 K CB -0.172 32.082 32.500 -0.410 0.000 0.735 511 K HN 0.626 nan 8.250 nan 0.000 0.451 512 R N 1.274 121.660 120.500 -0.190 0.000 2.091 512 R HA -0.146 4.194 4.340 0.000 0.000 0.238 512 R C 2.364 178.615 176.300 -0.080 0.000 1.136 512 R CA 2.008 58.030 56.100 -0.130 0.000 0.959 512 R CB -0.237 29.975 30.300 -0.146 0.000 0.856 512 R HN 0.206 nan 8.270 nan 0.000 0.437 513 S N -0.906 114.751 115.700 -0.071 0.000 2.440 513 S HA -0.093 4.377 4.470 0.000 0.000 0.240 513 S C 1.591 176.188 174.600 -0.005 0.000 1.014 513 S CA 1.393 59.578 58.200 -0.024 0.000 0.980 513 S CB -0.461 62.739 63.200 0.000 0.000 0.775 513 S HN 0.681 nan 8.310 nan 0.000 0.499 514 G N 0.626 109.424 108.800 -0.004 0.000 2.184 514 G HA2 -0.267 3.693 3.960 0.000 0.000 0.264 514 G HA3 -0.267 3.693 3.960 0.000 0.000 0.264 514 G C 0.086 175.014 174.900 0.047 0.000 0.975 514 G CA 0.477 45.588 45.100 0.018 0.000 0.642 514 G HN 0.598 nan 8.290 nan 0.000 0.536 515 L N 0.491 121.748 121.223 0.056 0.000 2.473 515 L HA 0.385 4.725 4.340 0.000 0.000 0.268 515 L C 1.107 178.028 176.870 0.085 0.000 1.215 515 L CA -0.478 54.398 54.840 0.061 0.000 0.823 515 L CB 0.470 42.559 42.059 0.049 0.000 1.099 515 L HN 0.285 nan 8.230 nan 0.000 0.483 516 E N 4.361 124.595 120.200 0.057 0.000 2.417 516 E HA -0.003 4.347 4.350 0.000 0.000 0.261 516 E C -1.828 174.793 176.600 0.036 0.000 1.000 516 E CA -1.220 55.209 56.400 0.048 0.000 0.919 516 E CB 0.651 30.370 29.700 0.031 0.000 0.955 516 E HN 0.188 nan 8.360 nan 0.000 0.455 517 P HA 0.035 nan 4.420 nan 0.000 0.249 517 P C -0.313 177.019 177.300 0.052 0.000 1.229 517 P CA 0.141 63.183 63.100 -0.097 0.000 0.788 517 P CB 0.502 31.916 31.700 -0.476 0.000 1.072 518 T N 0.000 114.610 114.554 0.093 0.000 3.816 518 T HA 0.000 4.350 4.350 0.000 0.000 0.228 518 T CA 0.000 62.169 62.100 0.115 0.000 1.349 518 T CB 0.000 68.903 68.868 0.059 0.000 0.612 518 T HN 0.000 nan 8.240 nan 0.000 0.658