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 2q5i_1_A DATA FIRST_RESID 64 DATA SEQUENCE IVDRAKMEDT LKRRFFYDQA FAIYGGVSGL YDFGPVGCAL KNNIIQTWRQ DATA SEQUENCE HFIQEEQILE IDCTMLTPEP VLKTSGHVDK FADFMVKDVK NGECFRADHL DATA SEQUENCE LKAHLQKLMS DKKCSVEKKS EMESVLAQLD NYGQQELADL FVNYNVKSPI DATA SEQUENCE TGNDLSPPVS FNLMFKTFIG PGGNMPGYLR PETAQGIFLN FKRLLEFNQG DATA SEQUENCE KLPFAAAQIG NSFRNEISPR SGLIRVREFT MAEIEHFVDP SEKDHPKFQN DATA SEQUENCE VADLHLYLYS AKAQVSGQSA RKMRLGDAVE QGVINNTVLG YFIGRIYLYL DATA SEQUENCE TKVGISPDKL RFRQHMENEM XXYACDCWDA ESKTSYGWIE IVGCADRSCY DATA SEQUENCE DLSCHARATK VPLVAEKPXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXYV DATA SEQUENCE EEVVPNVIEP SFGLGRIMYT VFEHTFHVRE GDEQRTFFSF PAVVAPFKCS DATA SEQUENCE VLPLSQNQEF MPFVKELLEA LTRHGVSHKV DDSSGSIGRR YARTDEIGVA DATA SEQUENCE FGVTIDFDTV NKTPHTATLR DRDSMRQIRA EISELPSIVQ DLANGNITWA DATA SEQUENCE DVEARYPLFE 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 64 I HA 0.000 nan 4.170 nan 0.000 0.288 64 I C 0.000 176.086 176.117 -0.051 0.000 1.063 64 I CA 0.000 61.258 61.300 -0.070 0.000 1.566 64 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 65 V N 1.869 121.755 119.914 -0.046 0.000 2.872 65 V HA 0.095 4.215 4.120 -0.000 0.000 0.307 65 V C 0.414 176.503 176.094 -0.008 0.000 1.072 65 V CA 0.473 62.768 62.300 -0.008 0.000 1.148 65 V CB 1.076 32.900 31.823 0.002 0.000 0.954 65 V HN 0.389 nan 8.190 nan 0.000 0.490 66 D N 5.381 125.805 120.400 0.040 0.000 2.416 66 D HA 0.090 4.730 4.640 -0.000 0.000 0.240 66 D C 1.171 177.439 176.300 -0.053 0.000 1.250 66 D CA 0.199 54.208 54.000 0.015 0.000 0.967 66 D CB 0.278 41.118 40.800 0.066 0.000 1.059 66 D HN 0.655 nan 8.370 nan 0.000 0.512 67 R N 3.006 123.461 120.500 -0.076 0.000 2.081 67 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 67 R C 1.782 178.019 176.300 -0.105 0.000 1.131 67 R CA 1.440 57.484 56.100 -0.094 0.000 0.960 67 R CB -0.012 30.246 30.300 -0.070 0.000 0.856 67 R HN 0.458 nan 8.270 nan 0.000 0.436 68 A N 1.235 124.012 122.820 -0.072 0.000 1.883 68 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 68 A C 2.113 179.646 177.584 -0.086 0.000 1.186 68 A CA 1.821 53.822 52.037 -0.059 0.000 0.624 68 A CB -0.471 18.508 19.000 -0.035 0.000 0.822 68 A HN 0.368 nan 8.150 nan 0.000 0.444 69 K N -1.152 119.198 120.400 -0.083 0.000 2.025 69 K HA -0.082 4.237 4.320 -0.000 0.000 0.207 69 K C 2.193 178.637 176.600 -0.261 0.000 1.049 69 K CA 1.531 57.781 56.287 -0.062 0.000 0.933 69 K CB -0.242 32.308 32.500 0.084 0.000 0.714 69 K HN 0.528 nan 8.250 nan 0.000 0.438 70 M N 0.935 120.147 119.600 -0.646 0.000 2.065 70 M HA -0.234 4.246 4.480 -0.000 0.000 0.259 70 M C 1.615 177.607 176.300 -0.514 0.000 1.069 70 M CA 1.855 56.459 55.300 -1.160 0.000 1.110 70 M CB -0.073 31.815 32.600 -1.187 0.000 1.328 70 M HN 0.174 nan 8.290 nan 0.000 0.405 71 E N -0.026 119.999 120.200 -0.291 0.000 2.160 71 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 71 E C 1.543 178.042 176.600 -0.168 0.000 0.991 71 E CA 1.651 57.946 56.400 -0.176 0.000 0.810 71 E CB -0.161 29.500 29.700 -0.064 0.000 0.742 71 E HN 0.596 nan 8.360 nan 0.000 0.466 72 D N -0.412 119.905 120.400 -0.137 0.000 2.097 72 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 72 D C 1.815 178.078 176.300 -0.063 0.000 0.984 72 D CA 1.584 55.536 54.000 -0.081 0.000 0.826 72 D CB 0.047 40.819 40.800 -0.047 0.000 0.973 72 D HN -0.025 nan 8.370 nan 0.000 0.460 73 T N 0.171 114.680 114.554 -0.075 0.000 2.708 73 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 73 T C 2.073 176.805 174.700 0.053 0.000 1.037 73 T CA 0.930 63.042 62.100 0.020 0.000 1.146 73 T CB -0.392 68.506 68.868 0.051 0.000 0.865 73 T HN 0.135 nan 8.240 nan 0.000 0.435 74 L N 0.645 121.798 121.223 -0.116 0.000 2.042 74 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 74 L C 2.729 179.532 176.870 -0.112 0.000 1.076 74 L CA 1.473 56.185 54.840 -0.213 0.000 0.749 74 L CB -0.439 41.252 42.059 -0.613 0.000 0.893 74 L HN 0.206 nan 8.230 nan 0.000 0.432 75 K N 0.101 120.408 120.400 -0.155 0.000 2.031 75 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 75 K C 2.361 178.957 176.600 -0.007 0.000 1.049 75 K CA 1.181 57.408 56.287 -0.100 0.000 0.939 75 K CB 0.041 32.478 32.500 -0.105 0.000 0.717 75 K HN 0.089 nan 8.250 nan 0.000 0.438 76 R N 0.172 120.681 120.500 0.016 0.000 2.066 76 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 76 R C 1.809 178.166 176.300 0.094 0.000 1.131 76 R CA 1.213 57.334 56.100 0.036 0.000 0.955 76 R CB 0.123 30.447 30.300 0.039 0.000 0.851 76 R HN 0.021 nan 8.270 nan 0.000 0.432 77 R N -0.191 120.409 120.500 0.167 0.000 2.313 77 R HA -0.007 4.333 4.340 -0.000 0.000 0.199 77 R C 0.049 176.471 176.300 0.204 0.000 0.958 77 R CA -0.014 56.197 56.100 0.184 0.000 1.047 77 R CB -0.514 29.930 30.300 0.240 0.000 0.955 77 R HN 0.272 nan 8.270 nan 0.000 0.481 78 F N -0.157 119.806 119.950 0.022 0.000 3.030 78 F HA -0.273 4.254 4.527 -0.000 0.000 0.309 78 F C 0.058 175.850 175.800 -0.013 0.000 0.941 78 F CA -0.865 57.129 58.000 -0.009 0.000 1.082 78 F CB -2.071 36.921 39.000 -0.014 0.000 1.113 78 F HN -0.026 nan 8.300 nan 0.000 0.716 79 F N 0.354 120.340 119.950 0.060 0.000 2.051 79 F HA -0.023 4.504 4.527 -0.000 0.000 0.296 79 F C 1.411 177.278 175.800 0.111 0.000 1.122 79 F CA 2.602 60.631 58.000 0.048 0.000 1.201 79 F CB -0.252 38.711 39.000 -0.061 0.000 0.978 79 F HN 0.308 nan 8.300 nan 0.000 0.472 80 Y N -3.075 117.315 120.300 0.150 0.000 2.609 80 Y HA 0.642 5.192 4.550 -0.000 0.000 0.336 80 Y C -1.535 174.433 175.900 0.113 0.000 1.129 80 Y CA -1.966 56.066 58.100 -0.112 0.000 1.040 80 Y CB 1.117 39.153 38.460 -0.708 0.000 1.310 80 Y HN -0.205 nan 8.280 nan 0.000 0.460 81 D N 0.394 120.974 120.400 0.300 0.000 2.639 81 D HA 0.126 4.766 4.640 -0.000 0.000 0.271 81 D C -1.617 174.880 176.300 0.328 0.000 1.254 81 D CA -0.652 53.499 54.000 0.252 0.000 0.810 81 D CB 2.681 43.546 40.800 0.108 0.000 1.351 81 D HN 0.837 nan 8.370 nan 0.000 0.427 82 Q N 0.636 120.557 119.800 0.202 0.000 2.286 82 Q HA 0.377 4.717 4.340 -0.000 0.000 0.290 82 Q C -0.611 175.354 176.000 -0.059 0.000 1.049 82 Q CA -0.158 55.639 55.803 -0.010 0.000 0.923 82 Q CB 0.614 29.349 28.738 -0.005 0.000 1.183 82 Q HN 0.420 nan 8.270 nan 0.000 0.383 83 A N 3.805 126.528 122.820 -0.163 0.000 2.407 83 A HA 0.283 4.603 4.320 -0.000 0.000 0.248 83 A C -0.289 177.207 177.584 -0.146 0.000 1.082 83 A CA -0.211 51.642 52.037 -0.306 0.000 0.785 83 A CB -0.237 18.525 19.000 -0.397 0.000 1.020 83 A HN 0.973 nan 8.150 nan 0.000 0.489 84 F N -0.642 119.338 119.950 0.050 0.000 3.091 84 F HA -0.328 4.199 4.527 -0.000 0.000 0.288 84 F C 1.702 177.566 175.800 0.105 0.000 0.907 84 F CA 0.452 58.504 58.000 0.087 0.000 1.028 84 F CB -1.977 37.050 39.000 0.045 0.000 1.022 84 F HN 0.752 nan 8.300 nan 0.000 0.665 85 A N 1.059 123.960 122.820 0.136 0.000 1.892 85 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 85 A C 2.105 179.749 177.584 0.100 0.000 1.188 85 A CA 2.133 54.223 52.037 0.088 0.000 0.631 85 A CB -0.679 18.332 19.000 0.017 0.000 0.822 85 A HN 0.817 nan 8.150 nan 0.000 0.447 86 I N -5.090 115.546 120.570 0.109 0.000 2.756 86 I HA -0.122 4.048 4.170 -0.000 0.000 0.262 86 I C 1.734 177.839 176.117 -0.019 0.000 1.225 86 I CA 1.348 62.669 61.300 0.035 0.000 1.472 86 I CB -0.368 37.638 38.000 0.010 0.000 1.094 86 I HN 0.242 nan 8.210 nan 0.000 0.454 87 Y N 1.945 122.297 120.300 0.087 0.000 2.468 87 Y HA 0.394 4.944 4.550 -0.000 0.000 0.268 87 Y C 1.832 177.763 175.900 0.051 0.000 1.177 87 Y CA 0.447 58.588 58.100 0.069 0.000 1.265 87 Y CB 0.700 39.208 38.460 0.081 0.000 1.103 87 Y HN 0.418 nan 8.280 nan 0.000 0.522 88 G N -1.032 107.858 108.800 0.150 0.000 2.201 88 G HA2 0.016 3.976 3.960 -0.000 0.000 0.212 88 G HA3 0.016 3.976 3.960 -0.000 0.000 0.212 88 G C 0.608 175.571 174.900 0.104 0.000 0.994 88 G CA -0.175 44.984 45.100 0.097 0.000 0.644 88 G HN 1.018 nan 8.290 nan 0.000 0.508 89 G N -2.157 106.740 108.800 0.161 0.000 2.781 89 G HA2 0.311 4.271 3.960 -0.000 0.000 0.683 89 G HA3 0.311 4.271 3.960 -0.000 0.000 0.683 89 G C -0.523 174.459 174.900 0.138 0.000 1.390 89 G CA 0.049 45.238 45.100 0.147 0.000 0.850 89 G HN 1.617 nan 8.290 nan 0.000 0.557 90 V N 0.863 120.858 119.914 0.134 0.000 2.623 90 V HA 0.657 4.777 4.120 -0.000 0.000 0.304 90 V C 0.690 176.792 176.094 0.012 0.000 1.054 90 V CA -0.165 62.189 62.300 0.090 0.000 0.882 90 V CB 1.707 33.617 31.823 0.145 0.000 1.002 90 V HN 1.757 nan 8.190 nan 0.000 0.424 91 S N 2.654 118.359 115.700 0.007 0.000 2.564 91 S HA 0.556 5.026 4.470 -0.000 0.000 0.278 91 S C 1.245 175.850 174.600 0.009 0.000 1.333 91 S CA 0.439 58.629 58.200 -0.017 0.000 1.048 91 S CB 1.161 64.376 63.200 0.024 0.000 0.900 91 S HN 2.329 nan 8.310 nan 0.000 0.505 92 G N 1.417 110.213 108.800 -0.006 0.000 2.199 92 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 92 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 92 G C -0.200 174.757 174.900 0.095 0.000 0.982 92 G CA 0.186 45.356 45.100 0.115 0.000 0.632 92 G HN 0.769 nan 8.290 nan 0.000 0.529 93 L N -0.148 120.998 121.223 -0.128 0.000 2.341 93 L HA 0.765 5.105 4.340 -0.000 0.000 0.278 93 L C -0.637 175.997 176.870 -0.394 0.000 1.005 93 L CA -1.273 53.530 54.840 -0.062 0.000 0.818 93 L CB 1.695 43.817 42.059 0.105 0.000 1.259 93 L HN 0.102 nan 8.230 nan 0.000 0.418 94 Y N 0.428 120.777 120.300 0.082 0.000 2.457 94 Y HA 0.354 4.904 4.550 -0.000 0.000 0.343 94 Y C -0.491 175.415 175.900 0.010 0.000 0.994 94 Y CA -1.106 57.001 58.100 0.011 0.000 1.031 94 Y CB 2.032 40.442 38.460 -0.084 0.000 1.246 94 Y HN 0.469 nan 8.280 nan 0.000 0.449 95 D N 2.171 122.647 120.400 0.127 0.000 2.225 95 D HA 0.322 4.962 4.640 -0.000 0.000 0.249 95 D C -1.063 175.294 176.300 0.095 0.000 1.052 95 D CA -0.049 54.045 54.000 0.157 0.000 0.909 95 D CB 1.099 41.981 40.800 0.137 0.000 1.186 95 D HN 0.199 nan 8.370 nan 0.000 0.431 96 F N 0.414 120.415 119.950 0.085 0.000 2.444 96 F HA 0.464 4.991 4.527 -0.000 0.000 0.342 96 F C 1.203 176.788 175.800 -0.358 0.000 1.121 96 F CA -0.664 57.327 58.000 -0.015 0.000 0.997 96 F CB 1.703 40.713 39.000 0.017 0.000 1.130 96 F HN 0.220 nan 8.300 nan 0.000 0.454 97 G N 3.025 111.375 108.800 -0.749 0.000 2.543 97 G HA2 0.343 4.303 3.960 -0.000 0.000 0.290 97 G HA3 0.343 4.303 3.960 -0.000 0.000 0.290 97 G C -1.957 172.628 174.900 -0.525 0.000 1.310 97 G CA -1.403 42.858 45.100 -1.398 0.000 1.025 97 G HN 0.381 nan 8.290 nan 0.000 0.502 98 P HA -0.198 nan 4.420 nan 0.000 0.216 98 P C 2.296 179.508 177.300 -0.147 0.000 1.167 98 P CA 2.495 65.495 63.100 -0.168 0.000 0.914 98 P CB -0.155 31.491 31.700 -0.090 0.000 0.793 99 V N -2.464 117.313 119.914 -0.228 0.000 2.427 99 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 99 V C 2.207 178.165 176.094 -0.225 0.000 1.051 99 V CA 2.336 64.461 62.300 -0.292 0.000 1.048 99 V CB -2.064 29.395 31.823 -0.606 0.000 0.666 99 V HN 0.150 nan 8.190 nan 0.000 0.456 100 G N -0.631 108.078 108.800 -0.152 0.000 2.446 100 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 100 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 100 G C 1.637 176.635 174.900 0.164 0.000 1.168 100 G CA 1.502 46.749 45.100 0.246 0.000 0.771 100 G HN 0.604 nan 8.290 nan 0.000 0.551 101 C N 0.888 120.212 119.300 0.041 0.000 2.425 101 C HA 0.198 4.658 4.460 -0.000 0.000 0.277 101 C C 3.534 178.502 174.990 -0.037 0.000 1.280 101 C CA 0.691 59.691 59.018 -0.030 0.000 1.744 101 C CB -1.001 26.713 27.740 -0.043 0.000 1.989 101 C HN 0.584 nan 8.230 nan 0.000 0.491 102 A N 0.242 123.049 122.820 -0.023 0.000 1.883 102 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 102 A C 2.058 179.630 177.584 -0.020 0.000 1.186 102 A CA 1.845 53.879 52.037 -0.006 0.000 0.624 102 A CB -0.692 18.326 19.000 0.029 0.000 0.822 102 A HN 0.501 nan 8.150 nan 0.000 0.444 103 L N -0.163 121.046 121.223 -0.023 0.000 2.027 103 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 103 L C 2.372 179.185 176.870 -0.096 0.000 1.074 103 L CA 2.633 57.425 54.840 -0.079 0.000 0.745 103 L CB -0.497 41.541 42.059 -0.035 0.000 0.898 103 L HN 0.465 nan 8.230 nan 0.000 0.433 104 K N -0.651 119.700 120.400 -0.082 0.000 2.032 104 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 104 K C 1.912 178.443 176.600 -0.115 0.000 1.048 104 K CA 1.890 58.086 56.287 -0.151 0.000 0.927 104 K CB -0.146 32.197 32.500 -0.263 0.000 0.712 104 K HN 0.380 nan 8.250 nan 0.000 0.441 105 N N 1.019 119.669 118.700 -0.084 0.000 2.166 105 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 105 N C 1.295 176.796 175.510 -0.015 0.000 1.019 105 N CA 1.397 54.417 53.050 -0.049 0.000 0.856 105 N CB -0.475 37.991 38.487 -0.035 0.000 0.993 105 N HN 0.379 nan 8.380 nan 0.000 0.426 106 N N 0.369 119.058 118.700 -0.018 0.000 2.216 106 N HA 0.043 4.783 4.740 -0.000 0.000 0.183 106 N C 1.714 177.241 175.510 0.027 0.000 1.017 106 N CA 0.424 53.477 53.050 0.005 0.000 0.861 106 N CB 0.033 38.509 38.487 -0.018 0.000 0.986 106 N HN 0.148 nan 8.380 nan 0.000 0.428 107 I N 1.176 121.744 120.570 -0.004 0.000 2.208 107 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 107 I C 1.995 178.215 176.117 0.171 0.000 1.097 107 I CA 1.169 62.505 61.300 0.059 0.000 1.363 107 I CB -0.135 37.850 38.000 -0.025 0.000 1.051 107 I HN 0.165 nan 8.210 nan 0.000 0.413 108 I N -0.164 120.447 120.570 0.069 0.000 2.252 108 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 108 I C 2.600 178.818 176.117 0.169 0.000 1.102 108 I CA 1.093 62.437 61.300 0.074 0.000 1.385 108 I CB -0.284 37.700 38.000 -0.026 0.000 1.064 108 I HN 0.251 nan 8.210 nan 0.000 0.414 109 Q N 0.756 120.629 119.800 0.122 0.000 2.084 109 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 109 Q C 2.126 178.226 176.000 0.167 0.000 0.978 109 Q CA 2.238 58.115 55.803 0.124 0.000 0.844 109 Q CB -0.453 28.334 28.738 0.081 0.000 0.898 109 Q HN 0.373 nan 8.270 nan 0.000 0.426 110 T N -0.617 114.059 114.554 0.202 0.000 2.746 110 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 110 T C 1.026 175.938 174.700 0.352 0.000 1.039 110 T CA 1.251 63.503 62.100 0.254 0.000 1.142 110 T CB -0.554 68.461 68.868 0.246 0.000 0.866 110 T HN 0.525 nan 8.240 nan 0.000 0.444 111 W N 2.206 123.615 121.300 0.183 0.000 2.358 111 W HA -0.094 4.566 4.660 -0.000 0.000 0.303 111 W C 2.429 178.962 176.519 0.023 0.000 1.208 111 W CA 1.000 58.284 57.345 -0.103 0.000 1.274 111 W CB -0.152 29.104 29.460 -0.340 0.000 1.138 111 W HN 0.084 nan 8.180 nan 0.000 0.515 112 R N -0.508 120.149 120.500 0.262 0.000 2.083 112 R HA -0.218 4.122 4.340 -0.000 0.000 0.237 112 R C 2.304 178.604 176.300 -0.001 0.000 1.137 112 R CA 1.747 57.929 56.100 0.137 0.000 0.951 112 R CB -0.674 29.726 30.300 0.167 0.000 0.851 112 R HN 0.197 nan 8.270 nan 0.000 0.434 113 Q N -0.502 119.313 119.800 0.026 0.000 2.079 113 Q HA -0.178 4.162 4.340 -0.000 0.000 0.200 113 Q C 1.952 177.892 176.000 -0.101 0.000 0.974 113 Q CA 1.608 57.404 55.803 -0.011 0.000 0.840 113 Q CB -0.408 28.349 28.738 0.031 0.000 0.898 113 Q HN 0.533 nan 8.270 nan 0.000 0.430 114 H N -1.001 117.912 119.070 -0.262 0.000 2.428 114 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 114 H C 0.997 175.825 175.328 -0.833 0.000 1.062 114 H CA 1.476 57.218 56.048 -0.510 0.000 1.350 114 H CB 0.185 29.622 29.762 -0.542 0.000 1.403 114 H HN 0.126 nan 8.280 nan 0.000 0.533 115 F N -1.513 118.162 119.950 -0.457 0.000 2.539 115 F HA 0.165 4.691 4.527 -0.000 0.000 0.277 115 F C 2.146 177.761 175.800 -0.309 0.000 0.925 115 F CA -0.020 57.679 58.000 -0.503 0.000 1.193 115 F CB -0.147 38.237 39.000 -1.026 0.000 1.128 115 F HN -0.042 nan 8.300 nan 0.000 0.740 116 I N 0.255 120.736 120.570 -0.149 0.000 2.127 116 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 116 I C 2.361 178.489 176.117 0.017 0.000 1.075 116 I CA 1.607 62.900 61.300 -0.012 0.000 1.334 116 I CB -0.403 37.618 38.000 0.036 0.000 1.040 116 I HN 0.234 nan 8.210 nan 0.000 0.405 117 Q N 0.757 120.547 119.800 -0.016 0.000 2.083 117 Q HA -0.221 4.119 4.340 -0.000 0.000 0.198 117 Q C 1.965 177.955 176.000 -0.018 0.000 0.969 117 Q CA 1.529 57.330 55.803 -0.003 0.000 0.838 117 Q CB -0.065 28.668 28.738 -0.009 0.000 0.900 117 Q HN 0.323 nan 8.270 nan 0.000 0.436 118 E N 0.055 120.211 120.200 -0.072 0.000 2.106 118 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 118 E C 0.685 177.279 176.600 -0.010 0.000 0.984 118 E CA 1.279 57.624 56.400 -0.090 0.000 0.806 118 E CB 0.135 29.693 29.700 -0.236 0.000 0.750 118 E HN 0.263 nan 8.360 nan 0.000 0.458 119 E N 0.202 120.430 120.200 0.047 0.000 2.501 119 E HA 0.061 4.411 4.350 -0.000 0.000 0.201 119 E C -0.214 176.477 176.600 0.152 0.000 1.016 119 E CA -0.081 56.403 56.400 0.141 0.000 0.920 119 E CB 0.539 30.396 29.700 0.262 0.000 1.023 119 E HN 0.161 nan 8.360 nan 0.000 0.474 120 Q N 0.351 120.215 119.800 0.108 0.000 2.439 120 Q HA -0.203 4.137 4.340 -0.000 0.000 0.325 120 Q C 0.026 176.122 176.000 0.161 0.000 1.372 120 Q CA 0.672 56.545 55.803 0.117 0.000 0.909 120 Q CB -2.215 26.587 28.738 0.107 0.000 1.167 120 Q HN 0.470 nan 8.270 nan 0.000 0.418 121 I N 0.491 121.159 120.570 0.164 0.000 2.634 121 I HA 0.006 4.176 4.170 -0.000 0.000 0.284 121 I C 1.246 177.462 176.117 0.164 0.000 1.124 121 I CA -0.323 61.095 61.300 0.197 0.000 1.417 121 I CB 0.426 38.539 38.000 0.189 0.000 1.396 121 I HN 0.125 nan 8.210 nan 0.000 0.571 122 L N 5.900 127.233 121.223 0.183 0.000 2.385 122 L HA 0.199 4.539 4.340 -0.000 0.000 0.281 122 L C 0.491 177.394 176.870 0.054 0.000 1.106 122 L CA 0.024 54.913 54.840 0.083 0.000 0.856 122 L CB 0.040 42.141 42.059 0.070 0.000 1.186 122 L HN 0.639 nan 8.230 nan 0.000 0.453 123 E N 5.466 125.673 120.200 0.011 0.000 2.283 123 E HA 0.552 4.902 4.350 -0.000 0.000 0.278 123 E C -0.781 175.798 176.600 -0.035 0.000 1.027 123 E CA -0.571 55.843 56.400 0.024 0.000 0.843 123 E CB 1.249 30.973 29.700 0.040 0.000 1.062 123 E HN 0.576 nan 8.360 nan 0.000 0.401 124 I N 0.105 120.668 120.570 -0.012 0.000 2.994 124 I HA 0.576 4.746 4.170 -0.000 0.000 0.306 124 I C -1.451 174.653 176.117 -0.021 0.000 1.195 124 I CA -1.050 60.229 61.300 -0.035 0.000 1.001 124 I CB 2.455 40.432 38.000 -0.039 0.000 1.244 124 I HN 0.341 nan 8.210 nan 0.000 0.437 125 D N 3.910 124.294 120.400 -0.028 0.000 2.420 125 D HA 0.502 5.142 4.640 -0.000 0.000 0.255 125 D C -1.050 175.235 176.300 -0.025 0.000 1.185 125 D CA 0.013 53.998 54.000 -0.025 0.000 0.904 125 D CB 1.249 42.035 40.800 -0.022 0.000 1.102 125 D HN 0.765 nan 8.370 nan 0.000 0.534 126 C N 1.488 120.773 119.300 -0.025 0.000 2.335 126 C HA 0.703 5.163 4.460 -0.000 0.000 0.363 126 C C 0.903 175.880 174.990 -0.022 0.000 1.198 126 C CA -0.709 58.295 59.018 -0.024 0.000 2.279 126 C CB 0.978 28.702 27.740 -0.026 0.000 2.334 126 C HN 0.709 nan 8.230 nan 0.000 0.559 127 T N -0.310 114.232 114.554 -0.020 0.000 2.860 127 T HA 0.254 4.604 4.350 -0.000 0.000 0.299 127 T C 0.748 175.439 174.700 -0.015 0.000 1.045 127 T CA -0.234 61.855 62.100 -0.019 0.000 1.071 127 T CB 0.458 69.312 68.868 -0.023 0.000 0.985 127 T HN 0.602 nan 8.240 nan 0.000 0.537 128 M N 0.604 120.199 119.600 -0.008 0.000 2.248 128 M HA 0.228 4.708 4.480 -0.000 0.000 0.265 128 M C 0.624 176.894 176.300 -0.049 0.000 1.079 128 M CA 0.652 55.955 55.300 0.005 0.000 1.150 128 M CB -0.161 32.476 32.600 0.061 0.000 1.366 128 M HN 0.494 nan 8.290 nan 0.000 0.433 129 L N 1.335 122.516 121.223 -0.069 0.000 2.499 129 L HA 0.032 4.372 4.340 -0.000 0.000 0.273 129 L C -0.451 176.390 176.870 -0.048 0.000 1.195 129 L CA 0.327 55.120 54.840 -0.078 0.000 0.882 129 L CB 0.120 42.133 42.059 -0.076 0.000 1.133 129 L HN 0.131 nan 8.230 nan 0.000 0.483 130 T N 3.857 118.389 114.554 -0.037 0.000 2.991 130 T HA 0.357 4.707 4.350 -0.000 0.000 0.303 130 T C -2.583 172.117 174.700 0.000 0.000 1.015 130 T CA -1.067 61.028 62.100 -0.007 0.000 1.007 130 T CB 2.077 70.954 68.868 0.015 0.000 1.034 130 T HN 0.336 nan 8.240 nan 0.000 0.446 131 P HA 0.204 nan 4.420 nan 0.000 0.275 131 P C 0.783 178.108 177.300 0.041 0.000 1.228 131 P CA -0.242 62.848 63.100 -0.018 0.000 0.786 131 P CB 1.336 33.030 31.700 -0.011 0.000 0.927 132 E N 2.954 123.166 120.200 0.021 0.000 2.070 132 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 132 E C -0.878 175.804 176.600 0.137 0.000 1.004 132 E CA 2.067 58.555 56.400 0.147 0.000 0.805 132 E CB -1.450 28.284 29.700 0.056 0.000 0.744 132 E HN 0.362 nan 8.360 nan 0.000 0.451 133 P HA -0.173 nan 4.420 nan 0.000 0.216 133 P C 1.489 178.849 177.300 0.099 0.000 1.153 133 P CA 1.198 64.342 63.100 0.074 0.000 0.858 133 P CB -0.003 31.730 31.700 0.054 0.000 0.789 134 V N -0.552 119.424 119.914 0.104 0.000 2.250 134 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 134 V C 2.347 178.552 176.094 0.184 0.000 1.060 134 V CA 1.899 64.287 62.300 0.145 0.000 1.030 134 V CB -1.223 30.645 31.823 0.075 0.000 0.643 134 V HN 0.113 nan 8.190 nan 0.000 0.445 135 L N -0.920 120.371 121.223 0.113 0.000 2.418 135 L HA -0.026 4.314 4.340 -0.000 0.000 0.218 135 L C 2.387 179.292 176.870 0.059 0.000 1.125 135 L CA 0.604 55.481 54.840 0.062 0.000 0.835 135 L CB -0.359 41.660 42.059 -0.066 0.000 0.953 135 L HN 0.253 nan 8.230 nan 0.000 0.454 136 K N 0.389 120.825 120.400 0.060 0.000 2.002 136 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 136 K C 1.995 178.593 176.600 -0.003 0.000 1.048 136 K CA 1.968 58.271 56.287 0.026 0.000 0.930 136 K CB -0.541 31.979 32.500 0.033 0.000 0.714 136 K HN 0.031 nan 8.250 nan 0.000 0.438 137 T N 0.292 114.850 114.554 0.006 0.000 2.699 137 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 137 T C 1.760 176.357 174.700 -0.171 0.000 1.036 137 T CA 1.907 63.955 62.100 -0.086 0.000 1.147 137 T CB -0.524 68.301 68.868 -0.072 0.000 0.862 137 T HN 0.529 nan 8.240 nan 0.000 0.446 138 S N 0.374 116.041 115.700 -0.055 0.000 2.555 138 S HA 0.253 4.723 4.470 -0.000 0.000 0.230 138 S C 1.858 176.416 174.600 -0.071 0.000 0.978 138 S CA 0.717 58.915 58.200 -0.003 0.000 0.934 138 S CB -0.451 62.940 63.200 0.317 0.000 0.766 138 S HN 0.802 nan 8.310 nan 0.000 0.533 139 G N 0.690 109.448 108.800 -0.071 0.000 2.148 139 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.254 139 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.254 139 G C 0.328 175.142 174.900 -0.143 0.000 0.981 139 G CA 0.598 45.621 45.100 -0.128 0.000 0.670 139 G HN 0.659 nan 8.290 nan 0.000 0.528 140 H N -0.531 118.480 119.070 -0.099 0.000 2.395 140 H HA 0.154 4.710 4.556 -0.000 0.000 0.299 140 H C 2.719 177.980 175.328 -0.112 0.000 1.070 140 H CA 1.599 57.585 56.048 -0.103 0.000 1.356 140 H CB -0.001 29.614 29.762 -0.244 0.000 1.401 140 H HN 0.325 nan 8.280 nan 0.000 0.524 141 V N 0.823 120.709 119.914 -0.047 0.000 2.324 141 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 141 V C 1.497 177.549 176.094 -0.071 0.000 1.060 141 V CA 2.164 64.396 62.300 -0.114 0.000 1.042 141 V CB -0.207 31.579 31.823 -0.061 0.000 0.650 141 V HN 0.535 nan 8.190 nan 0.000 0.450 142 D N -0.836 119.531 120.400 -0.055 0.000 2.301 142 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 142 D C 1.861 178.119 176.300 -0.070 0.000 0.979 142 D CA 0.691 54.657 54.000 -0.057 0.000 0.874 142 D CB 0.242 41.011 40.800 -0.052 0.000 0.968 142 D HN 0.423 nan 8.370 nan 0.000 0.510 143 K N -0.688 119.673 120.400 -0.065 0.000 2.477 143 K HA 0.122 4.442 4.320 -0.000 0.000 0.208 143 K C 0.025 176.608 176.600 -0.027 0.000 1.117 143 K CA -0.316 55.927 56.287 -0.075 0.000 1.039 143 K CB 0.954 33.401 32.500 -0.087 0.000 0.937 143 K HN -0.125 nan 8.250 nan 0.000 0.570 144 F N 2.324 122.177 119.950 -0.161 0.000 2.640 144 F HA 0.453 4.980 4.527 -0.000 0.000 0.331 144 F C -0.419 175.297 175.800 -0.140 0.000 1.200 144 F CA -1.119 56.811 58.000 -0.116 0.000 1.278 144 F CB -0.178 38.817 39.000 -0.009 0.000 1.571 144 F HN -0.107 nan 8.300 nan 0.000 0.576 145 A N 1.663 124.281 122.820 -0.336 0.000 2.515 145 A HA 0.667 4.987 4.320 -0.000 0.000 0.296 145 A C -1.381 175.987 177.584 -0.361 0.000 1.094 145 A CA -0.786 51.038 52.037 -0.356 0.000 0.718 145 A CB 1.183 20.007 19.000 -0.294 0.000 1.307 145 A HN 0.228 nan 8.150 nan 0.000 0.408 146 D N 0.489 120.741 120.400 -0.247 0.000 2.256 146 D HA 0.502 5.142 4.640 -0.000 0.000 0.246 146 D C -0.801 175.418 176.300 -0.135 0.000 1.042 146 D CA 0.141 54.027 54.000 -0.191 0.000 0.841 146 D CB 1.016 41.755 40.800 -0.101 0.000 1.223 146 D HN 0.356 nan 8.370 nan 0.000 0.470 147 F N 1.498 121.447 119.950 -0.002 0.000 2.578 147 F HA 0.092 4.619 4.527 -0.000 0.000 0.376 147 F C 1.023 176.807 175.800 -0.026 0.000 1.085 147 F CA 0.111 58.106 58.000 -0.009 0.000 1.260 147 F CB 0.551 39.541 39.000 -0.017 0.000 1.095 147 F HN 0.009 nan 8.300 nan 0.000 0.573 148 M N 4.534 124.236 119.600 0.169 0.000 2.393 148 M HA 0.660 5.140 4.480 -0.000 0.000 0.316 148 M C -1.889 174.412 176.300 0.001 0.000 1.087 148 M CA -0.623 54.701 55.300 0.040 0.000 0.937 148 M CB 1.683 34.253 32.600 -0.050 0.000 1.668 148 M HN 0.300 nan 8.290 nan 0.000 0.438 149 V N 4.630 124.544 119.914 -0.001 0.000 2.680 149 V HA 0.620 4.740 4.120 -0.000 0.000 0.309 149 V C -0.948 175.220 176.094 0.123 0.000 1.052 149 V CA -0.707 61.578 62.300 -0.026 0.000 0.908 149 V CB 2.299 34.028 31.823 -0.157 0.000 1.001 149 V HN 0.895 nan 8.190 nan 0.000 0.431 150 K N 1.523 121.982 120.400 0.097 0.000 2.435 150 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 150 K C -1.070 175.626 176.600 0.159 0.000 0.954 150 K CA -0.870 55.512 56.287 0.158 0.000 0.820 150 K CB 2.407 34.931 32.500 0.040 0.000 1.292 150 K HN 0.495 nan 8.250 nan 0.000 0.436 151 D N 2.162 122.697 120.400 0.225 0.000 2.417 151 D HA -0.033 4.607 4.640 -0.000 0.000 0.250 151 D C 1.339 177.693 176.300 0.090 0.000 1.166 151 D CA -0.156 53.946 54.000 0.169 0.000 0.881 151 D CB 1.581 42.517 40.800 0.227 0.000 1.164 151 D HN 0.501 nan 8.370 nan 0.000 0.467 152 V N 2.603 122.554 119.914 0.063 0.000 2.594 152 V HA -0.192 3.928 4.120 -0.000 0.000 0.253 152 V C 1.896 178.012 176.094 0.037 0.000 1.069 152 V CA 1.175 63.499 62.300 0.040 0.000 1.082 152 V CB -0.439 31.402 31.823 0.030 0.000 0.680 152 V HN 0.396 nan 8.190 nan 0.000 0.469 153 K N 1.664 122.089 120.400 0.043 0.000 2.065 153 K HA 0.032 4.352 4.320 -0.000 0.000 0.211 153 K C 2.241 178.863 176.600 0.036 0.000 1.025 153 K CA 1.169 57.477 56.287 0.036 0.000 0.948 153 K CB -0.480 32.041 32.500 0.036 0.000 0.798 153 K HN 0.623 nan 8.250 nan 0.000 0.450 154 N N 0.233 118.960 118.700 0.045 0.000 2.354 154 N HA -0.066 4.674 4.740 -0.000 0.000 0.179 154 N C 1.065 176.592 175.510 0.028 0.000 1.021 154 N CA 1.504 54.576 53.050 0.037 0.000 0.887 154 N CB 0.229 38.742 38.487 0.043 0.000 0.974 154 N HN 0.446 nan 8.380 nan 0.000 0.437 155 G N 0.402 109.226 108.800 0.040 0.000 2.131 155 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.223 155 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.223 155 G C -0.363 174.529 174.900 -0.013 0.000 0.990 155 G CA 0.192 45.303 45.100 0.020 0.000 0.671 155 G HN 0.648 nan 8.290 nan 0.000 0.521 156 E N -0.314 119.881 120.200 -0.008 0.000 2.383 156 E HA 0.409 4.759 4.350 -0.000 0.000 0.264 156 E C 0.276 176.708 176.600 -0.280 0.000 1.050 156 E CA -0.263 56.041 56.400 -0.159 0.000 0.896 156 E CB 0.377 29.971 29.700 -0.175 0.000 0.982 156 E HN 0.286 nan 8.360 nan 0.000 0.424 157 C N 4.040 123.053 119.300 -0.478 0.000 2.366 157 C HA 0.560 5.020 4.460 -0.000 0.000 0.345 157 C C -0.784 173.756 174.990 -0.749 0.000 1.209 157 C CA -0.527 58.234 59.018 -0.428 0.000 2.050 157 C CB -0.459 27.070 27.740 -0.351 0.000 2.359 157 C HN 0.553 nan 8.230 nan 0.000 0.527 158 F N 0.935 120.842 119.950 -0.071 0.000 2.578 158 F HA 0.480 5.007 4.527 -0.000 0.000 0.311 158 F C 0.279 176.049 175.800 -0.049 0.000 1.094 158 F CA -0.803 57.177 58.000 -0.033 0.000 0.923 158 F CB 0.983 40.002 39.000 0.032 0.000 1.230 158 F HN 0.410 nan 8.300 nan 0.000 0.450 159 R N 1.674 122.237 120.500 0.106 0.000 2.351 159 R HA 0.405 4.745 4.340 -0.000 0.000 0.318 159 R C 0.900 177.277 176.300 0.128 0.000 1.055 159 R CA 0.310 56.417 56.100 0.012 0.000 0.968 159 R CB 0.905 31.095 30.300 -0.183 0.000 0.974 159 R HN 0.983 nan 8.270 nan 0.000 0.439 160 A N 4.361 127.269 122.820 0.147 0.000 1.883 160 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 160 A C 1.531 179.319 177.584 0.340 0.000 1.186 160 A CA 1.864 54.039 52.037 0.229 0.000 0.624 160 A CB -0.402 18.644 19.000 0.076 0.000 0.822 160 A HN 0.943 nan 8.150 nan 0.000 0.444 161 D N -0.548 120.017 120.400 0.275 0.000 2.123 161 D HA -0.240 4.400 4.640 -0.000 0.000 0.196 161 D C 1.579 178.076 176.300 0.327 0.000 0.992 161 D CA 2.021 56.199 54.000 0.296 0.000 0.833 161 D CB -1.146 39.821 40.800 0.279 0.000 0.954 161 D HN 0.761 nan 8.370 nan 0.000 0.455 162 H N -0.818 118.333 119.070 0.136 0.000 2.389 162 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 162 H C 2.062 177.448 175.328 0.095 0.000 1.081 162 H CA 0.538 56.648 56.048 0.104 0.000 1.345 162 H CB 0.188 30.014 29.762 0.106 0.000 1.393 162 H HN 0.072 nan 8.280 nan 0.000 0.520 163 L N 1.102 122.485 121.223 0.266 0.000 2.056 163 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 163 L C 2.310 179.198 176.870 0.031 0.000 1.078 163 L CA 1.161 56.094 54.840 0.154 0.000 0.749 163 L CB -0.693 41.481 42.059 0.192 0.000 0.901 163 L HN 0.228 nan 8.230 nan 0.000 0.433 164 L N -0.553 120.667 121.223 -0.005 0.000 2.017 164 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 164 L C 2.656 179.463 176.870 -0.105 0.000 1.073 164 L CA 1.851 56.552 54.840 -0.232 0.000 0.745 164 L CB -0.403 41.521 42.059 -0.226 0.000 0.894 164 L HN 0.336 nan 8.230 nan 0.000 0.432 165 K N -0.188 120.205 120.400 -0.013 0.000 2.103 165 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 165 K C 1.904 178.489 176.600 -0.024 0.000 1.048 165 K CA 1.428 57.703 56.287 -0.019 0.000 0.930 165 K CB -0.170 32.331 32.500 0.002 0.000 0.716 165 K HN 0.488 nan 8.250 nan 0.000 0.444 166 A N 0.802 123.622 122.820 0.000 0.000 1.898 166 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 166 A C 2.156 179.728 177.584 -0.020 0.000 1.181 166 A CA 1.479 53.513 52.037 -0.005 0.000 0.620 166 A CB -0.896 18.115 19.000 0.018 0.000 0.819 166 A HN 0.505 nan 8.150 nan 0.000 0.442 167 H N 0.200 119.200 119.070 -0.116 0.000 2.353 167 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 167 H C 1.901 177.151 175.328 -0.131 0.000 1.090 167 H CA 1.896 57.863 56.048 -0.135 0.000 1.327 167 H CB -0.124 29.515 29.762 -0.205 0.000 1.383 167 H HN 0.410 nan 8.280 nan 0.000 0.508 168 L N 0.260 121.470 121.223 -0.023 0.000 2.056 168 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 168 L C 2.778 179.607 176.870 -0.069 0.000 1.078 168 L CA 1.082 55.871 54.840 -0.085 0.000 0.749 168 L CB -0.545 41.404 42.059 -0.182 0.000 0.901 168 L HN 0.286 nan 8.230 nan 0.000 0.433 169 Q N 0.142 119.904 119.800 -0.062 0.000 2.135 169 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 169 Q C 2.140 178.103 176.000 -0.062 0.000 0.981 169 Q CA 1.670 57.443 55.803 -0.050 0.000 0.856 169 Q CB -0.049 28.666 28.738 -0.039 0.000 0.902 169 Q HN 0.256 nan 8.270 nan 0.000 0.425 170 K N 1.035 121.378 120.400 -0.095 0.000 2.002 170 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 170 K C 1.779 178.312 176.600 -0.111 0.000 1.048 170 K CA 1.233 57.448 56.287 -0.120 0.000 0.930 170 K CB -0.282 32.099 32.500 -0.197 0.000 0.714 170 K HN 0.118 nan 8.250 nan 0.000 0.438 171 L N 0.102 121.248 121.223 -0.127 0.000 2.017 171 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 171 L C 2.614 179.467 176.870 -0.029 0.000 1.073 171 L CA 1.514 56.312 54.840 -0.070 0.000 0.745 171 L CB -0.383 41.666 42.059 -0.017 0.000 0.894 171 L HN 0.299 nan 8.230 nan 0.000 0.432 172 M N -0.927 118.659 119.600 -0.024 0.000 2.346 172 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 172 M C 2.033 178.324 176.300 -0.015 0.000 1.064 172 M CA 1.252 56.546 55.300 -0.011 0.000 1.083 172 M CB -0.222 32.372 32.600 -0.010 0.000 1.399 172 M HN 0.170 nan 8.290 nan 0.000 0.435 173 S N -0.582 115.103 115.700 -0.026 0.000 2.528 173 S HA -0.007 4.463 4.470 -0.000 0.000 0.219 173 S C 0.518 175.104 174.600 -0.022 0.000 0.985 173 S CA -0.016 58.170 58.200 -0.024 0.000 0.914 173 S CB -0.215 62.967 63.200 -0.030 0.000 0.776 173 S HN 0.406 nan 8.310 nan 0.000 0.526 174 D N 1.837 122.222 120.400 -0.025 0.000 2.424 174 D HA 0.077 4.717 4.640 -0.000 0.000 0.244 174 D C 0.823 177.115 176.300 -0.013 0.000 1.134 174 D CA 0.113 54.100 54.000 -0.022 0.000 0.881 174 D CB 0.774 41.559 40.800 -0.025 0.000 1.191 174 D HN -0.120 nan 8.370 nan 0.000 0.445 175 K N 2.972 123.365 120.400 -0.012 0.000 2.228 175 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 175 K C 1.502 178.098 176.600 -0.006 0.000 1.051 175 K CA 0.625 56.907 56.287 -0.008 0.000 0.960 175 K CB 0.099 32.594 32.500 -0.008 0.000 0.743 175 K HN 0.453 nan 8.250 nan 0.000 0.458 176 K N 0.393 120.788 120.400 -0.008 0.000 2.439 176 K HA -0.022 4.298 4.320 -0.000 0.000 0.197 176 K C 0.949 177.546 176.600 -0.004 0.000 1.041 176 K CA 0.020 56.303 56.287 -0.006 0.000 0.970 176 K CB -0.061 32.434 32.500 -0.008 0.000 0.773 176 K HN 0.020 nan 8.250 nan 0.000 0.479 177 C N 2.705 122.003 119.300 -0.003 0.000 2.593 177 C HA 0.199 4.659 4.460 -0.000 0.000 0.409 177 C C 1.015 176.008 174.990 0.005 0.000 1.304 177 C CA -0.828 58.192 59.018 0.003 0.000 2.007 177 C CB -0.167 27.577 27.740 0.006 0.000 2.614 177 C HN 0.478 nan 8.230 nan 0.000 0.585 178 S N 4.270 119.975 115.700 0.008 0.000 2.632 178 S HA 0.320 4.790 4.470 -0.000 0.000 0.267 178 S C 0.865 175.472 174.600 0.011 0.000 1.276 178 S CA -0.580 57.624 58.200 0.007 0.000 0.998 178 S CB 1.172 64.376 63.200 0.006 0.000 0.953 178 S HN 0.699 nan 8.310 nan 0.000 0.547 179 V N 1.063 120.983 119.914 0.010 0.000 2.307 179 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 179 V C 2.724 178.828 176.094 0.016 0.000 1.045 179 V CA 2.172 64.479 62.300 0.012 0.000 1.024 179 V CB -1.186 30.643 31.823 0.010 0.000 0.651 179 V HN 1.044 nan 8.190 nan 0.000 0.449 180 E N 0.192 120.401 120.200 0.016 0.000 2.204 180 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 180 E C 2.137 178.753 176.600 0.027 0.000 0.989 180 E CA 1.038 57.450 56.400 0.019 0.000 0.824 180 E CB 0.061 29.770 29.700 0.014 0.000 0.756 180 E HN 0.427 nan 8.360 nan 0.000 0.477 181 K N 1.326 121.742 120.400 0.028 0.000 2.057 181 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 181 K C 1.746 178.381 176.600 0.058 0.000 1.050 181 K CA 1.498 57.811 56.287 0.044 0.000 0.935 181 K CB 0.036 32.558 32.500 0.036 0.000 0.715 181 K HN -0.022 nan 8.250 nan 0.000 0.439 182 K N 0.184 120.608 120.400 0.041 0.000 2.026 182 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 182 K C 2.109 178.731 176.600 0.036 0.000 1.048 182 K CA 1.703 58.012 56.287 0.036 0.000 0.929 182 K CB -0.257 32.256 32.500 0.021 0.000 0.713 182 K HN 0.338 nan 8.250 nan 0.000 0.439 183 S N 1.011 116.730 115.700 0.033 0.000 2.419 183 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 183 S C 1.977 176.604 174.600 0.044 0.000 1.016 183 S CA 1.151 59.370 58.200 0.032 0.000 0.974 183 S CB -0.137 63.079 63.200 0.026 0.000 0.786 183 S HN 0.322 nan 8.310 nan 0.000 0.492 184 E N 1.038 121.273 120.200 0.057 0.000 2.072 184 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 184 E C 1.987 178.647 176.600 0.101 0.000 0.985 184 E CA 1.221 57.669 56.400 0.081 0.000 0.801 184 E CB -0.182 29.574 29.700 0.092 0.000 0.750 184 E HN 0.639 nan 8.360 nan 0.000 0.452 185 M N 0.051 119.705 119.600 0.089 0.000 2.288 185 M HA -0.054 4.426 4.480 -0.000 0.000 0.266 185 M C 1.962 178.269 176.300 0.012 0.000 1.072 185 M CA 0.954 56.278 55.300 0.040 0.000 1.132 185 M CB 0.040 32.653 32.600 0.022 0.000 1.386 185 M HN 0.033 nan 8.290 nan 0.000 0.432 186 E N 0.505 120.719 120.200 0.024 0.000 2.077 186 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 186 E C 2.102 178.718 176.600 0.027 0.000 0.989 186 E CA 1.811 58.222 56.400 0.018 0.000 0.800 186 E CB -0.089 29.623 29.700 0.019 0.000 0.746 186 E HN 0.540 nan 8.360 nan 0.000 0.452 187 S N 0.321 116.046 115.700 0.041 0.000 2.402 187 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 187 S C 2.186 176.835 174.600 0.083 0.000 1.021 187 S CA 0.711 58.941 58.200 0.051 0.000 0.974 187 S CB -0.338 62.896 63.200 0.057 0.000 0.800 187 S HN 0.019 nan 8.310 nan 0.000 0.484 188 V N 2.435 122.410 119.914 0.102 0.000 2.343 188 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 188 V C 2.526 178.714 176.094 0.158 0.000 1.051 188 V CA 1.620 64.022 62.300 0.171 0.000 1.036 188 V CB -0.875 30.974 31.823 0.044 0.000 0.654 188 V HN 0.468 nan 8.190 nan 0.000 0.451 189 L N 0.356 121.613 121.223 0.057 0.000 2.079 189 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 189 L C 2.564 179.449 176.870 0.024 0.000 1.081 189 L CA 1.573 56.435 54.840 0.037 0.000 0.752 189 L CB -0.812 41.251 42.059 0.006 0.000 0.896 189 L HN 0.384 nan 8.230 nan 0.000 0.433 190 A N -0.835 121.992 122.820 0.012 0.000 2.259 190 A HA -0.145 4.175 4.320 -0.000 0.000 0.212 190 A C 1.754 179.295 177.584 -0.072 0.000 1.178 190 A CA 1.122 53.146 52.037 -0.022 0.000 0.734 190 A CB -0.242 18.749 19.000 -0.015 0.000 0.774 190 A HN 0.604 nan 8.150 nan 0.000 0.481 191 Q N -1.467 118.268 119.800 -0.108 0.000 2.103 191 Q HA 0.345 4.685 4.340 -0.000 0.000 0.219 191 Q C 1.131 176.855 176.000 -0.460 0.000 0.784 191 Q CA -0.299 55.292 55.803 -0.354 0.000 1.014 191 Q CB 0.228 28.614 28.738 -0.585 0.000 1.183 191 Q HN 0.537 nan 8.270 nan 0.000 0.469 192 L N 1.175 122.357 121.223 -0.067 0.000 2.034 192 L HA -0.308 4.032 4.340 -0.000 0.000 0.217 192 L C 1.334 178.256 176.870 0.086 0.000 1.077 192 L CA 1.665 56.587 54.840 0.137 0.000 0.769 192 L CB -0.158 41.981 42.059 0.132 0.000 0.890 192 L HN 0.317 nan 8.230 nan 0.000 0.435 193 D N -0.973 119.426 120.400 -0.003 0.000 2.224 193 D HA -0.124 4.516 4.640 -0.000 0.000 0.205 193 D C 1.875 178.175 176.300 -0.000 0.000 0.965 193 D CA 0.713 54.729 54.000 0.026 0.000 0.852 193 D CB -0.348 40.449 40.800 -0.005 0.000 0.947 193 D HN 0.326 nan 8.370 nan 0.000 0.494 194 N N 0.138 118.755 118.700 -0.138 0.000 2.216 194 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 194 N C 0.169 175.646 175.510 -0.055 0.000 1.017 194 N CA 0.235 53.199 53.050 -0.144 0.000 0.861 194 N CB -0.265 38.065 38.487 -0.262 0.000 0.986 194 N HN 0.339 nan 8.380 nan 0.000 0.428 195 Y N 1.065 121.405 120.300 0.067 0.000 2.721 195 Y HA 0.084 4.634 4.550 -0.000 0.000 0.329 195 Y C 1.773 177.713 175.900 0.066 0.000 1.211 195 Y CA -0.548 57.579 58.100 0.045 0.000 1.512 195 Y CB 0.222 38.693 38.460 0.018 0.000 1.249 195 Y HN -0.043 nan 8.280 nan 0.000 0.549 196 G N 1.804 110.728 108.800 0.206 0.000 2.535 196 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.282 196 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.282 196 G C 0.601 175.434 174.900 -0.113 0.000 1.350 196 G CA -0.471 44.719 45.100 0.151 0.000 1.039 196 G HN 0.632 nan 8.290 nan 0.000 0.509 197 Q N -1.004 118.724 119.800 -0.119 0.000 2.030 197 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 197 Q C 2.496 178.345 176.000 -0.252 0.000 0.986 197 Q CA 2.303 57.880 55.803 -0.377 0.000 0.843 197 Q CB -0.389 28.340 28.738 -0.014 0.000 0.904 197 Q HN 0.624 nan 8.270 nan 0.000 0.420 198 Q N 0.985 120.723 119.800 -0.102 0.000 1.993 198 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 198 Q C 1.765 177.714 176.000 -0.085 0.000 0.984 198 Q CA 2.631 58.390 55.803 -0.073 0.000 0.837 198 Q CB -0.401 28.322 28.738 -0.026 0.000 0.902 198 Q HN 0.649 nan 8.270 nan 0.000 0.423 199 E N -0.496 119.667 120.200 -0.062 0.000 2.204 199 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 199 E C 1.929 178.430 176.600 -0.166 0.000 0.989 199 E CA 1.068 57.422 56.400 -0.077 0.000 0.824 199 E CB -0.386 29.318 29.700 0.007 0.000 0.756 199 E HN 0.381 nan 8.360 nan 0.000 0.477 200 L N 1.326 122.443 121.223 -0.177 0.000 2.109 200 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 200 L C 2.480 179.296 176.870 -0.090 0.000 1.086 200 L CA 1.666 56.401 54.840 -0.175 0.000 0.760 200 L CB -0.451 41.420 42.059 -0.313 0.000 0.910 200 L HN 0.187 nan 8.230 nan 0.000 0.437 201 A N -0.621 122.100 122.820 -0.166 0.000 1.908 201 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 201 A C 1.943 179.521 177.584 -0.010 0.000 1.181 201 A CA 2.044 54.013 52.037 -0.113 0.000 0.627 201 A CB -0.768 18.157 19.000 -0.126 0.000 0.818 201 A HN 0.509 nan 8.150 nan 0.000 0.445 202 D N -0.069 120.311 120.400 -0.034 0.000 2.117 202 D HA -0.075 4.565 4.640 -0.000 0.000 0.198 202 D C 1.903 178.205 176.300 0.003 0.000 0.982 202 D CA 0.843 54.830 54.000 -0.022 0.000 0.828 202 D CB -0.405 40.367 40.800 -0.046 0.000 0.967 202 D HN 0.435 nan 8.370 nan 0.000 0.464 203 L N -0.337 120.882 121.223 -0.007 0.000 2.079 203 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 203 L C 2.265 179.189 176.870 0.091 0.000 1.081 203 L CA 0.866 55.729 54.840 0.039 0.000 0.752 203 L CB -0.303 41.687 42.059 -0.116 0.000 0.896 203 L HN -0.038 nan 8.230 nan 0.000 0.433 204 F N -1.030 118.873 119.950 -0.079 0.000 2.186 204 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 204 F C 2.233 177.987 175.800 -0.078 0.000 1.090 204 F CA 1.143 59.087 58.000 -0.092 0.000 1.307 204 F CB -0.481 38.456 39.000 -0.106 0.000 1.019 204 F HN -0.211 nan 8.300 nan 0.000 0.489 205 V N -0.024 119.947 119.914 0.096 0.000 2.255 205 V HA -0.268 3.852 4.120 -0.000 0.000 0.243 205 V C 2.180 178.251 176.094 -0.038 0.000 1.038 205 V CA 1.840 64.151 62.300 0.019 0.000 1.008 205 V CB -0.779 31.046 31.823 0.003 0.000 0.645 205 V HN 0.275 nan 8.190 nan 0.000 0.449 206 N N -0.252 118.412 118.700 -0.060 0.000 2.091 206 N HA -0.217 4.523 4.740 -0.000 0.000 0.193 206 N C 1.634 176.964 175.510 -0.300 0.000 1.021 206 N CA 1.967 54.908 53.050 -0.181 0.000 0.862 206 N CB -0.406 37.946 38.487 -0.226 0.000 1.018 206 N HN 0.611 nan 8.380 nan 0.000 0.429 207 Y N 0.018 120.227 120.300 -0.151 0.000 2.466 207 Y HA 0.116 4.666 4.550 -0.000 0.000 0.272 207 Y C 0.477 176.241 175.900 -0.227 0.000 1.169 207 Y CA -0.371 57.624 58.100 -0.175 0.000 1.285 207 Y CB -0.048 38.258 38.460 -0.256 0.000 1.078 207 Y HN -0.007 nan 8.280 nan 0.000 0.523 208 N N 0.584 119.223 118.700 -0.101 0.000 2.708 208 N HA -0.173 4.567 4.740 -0.000 0.000 0.255 208 N C -1.318 174.075 175.510 -0.195 0.000 1.046 208 N CA 0.295 53.292 53.050 -0.088 0.000 0.715 208 N CB -1.189 37.290 38.487 -0.013 0.000 0.895 208 N HN -0.005 nan 8.380 nan 0.000 0.545 209 V N 1.042 120.732 119.914 -0.373 0.000 2.530 209 V HA 0.350 4.470 4.120 -0.000 0.000 0.282 209 V C 0.895 176.912 176.094 -0.128 0.000 1.048 209 V CA 0.078 62.066 62.300 -0.522 0.000 0.997 209 V CB 1.507 32.825 31.823 -0.843 0.000 0.987 209 V HN 0.280 nan 8.190 nan 0.000 0.477 210 K N 1.850 122.221 120.400 -0.050 0.000 2.346 210 K HA 0.539 4.858 4.320 -0.000 0.000 0.238 210 K C -0.139 176.405 176.600 -0.093 0.000 1.039 210 K CA -0.546 55.727 56.287 -0.024 0.000 0.861 210 K CB 1.497 34.001 32.500 0.006 0.000 1.278 210 K HN 0.604 nan 8.250 nan 0.000 0.460 211 S N 1.959 117.582 115.700 -0.128 0.000 2.525 211 S HA 0.092 4.562 4.470 -0.000 0.000 0.285 211 S C -1.538 172.949 174.600 -0.189 0.000 1.283 211 S CA -1.078 56.952 58.200 -0.283 0.000 1.072 211 S CB 0.302 63.423 63.200 -0.132 0.000 0.867 211 S HN 0.358 nan 8.310 nan 0.000 0.492 212 P HA 0.000 nan 4.420 nan 0.000 0.225 212 P C 1.176 178.470 177.300 -0.010 0.000 1.156 212 P CA 0.846 63.892 63.100 -0.090 0.000 0.787 212 P CB 0.091 31.747 31.700 -0.073 0.000 0.802 213 I N 0.119 120.708 120.570 0.031 0.000 2.368 213 I HA -0.105 4.065 4.170 -0.000 0.000 0.238 213 I C 2.508 178.660 176.117 0.059 0.000 1.076 213 I CA 2.049 63.402 61.300 0.087 0.000 1.397 213 I CB -1.113 36.993 38.000 0.176 0.000 1.141 213 I HN 0.021 nan 8.210 nan 0.000 0.430 214 T N -1.989 112.602 114.554 0.062 0.000 2.976 214 T HA 0.213 4.563 4.350 -0.000 0.000 0.257 214 T C 1.625 176.340 174.700 0.025 0.000 1.051 214 T CA 0.745 62.874 62.100 0.048 0.000 1.141 214 T CB 0.263 69.168 68.868 0.062 0.000 0.881 214 T HN 0.552 nan 8.240 nan 0.000 0.461 215 G N 1.626 110.432 108.800 0.010 0.000 2.144 215 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 215 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 215 G C -0.146 174.759 174.900 0.009 0.000 0.988 215 G CA -0.095 45.007 45.100 0.004 0.000 0.659 215 G HN 0.714 nan 8.290 nan 0.000 0.522 216 N N 0.599 119.308 118.700 0.015 0.000 2.347 216 N HA 0.401 5.141 4.740 -0.000 0.000 0.253 216 N C -0.456 175.064 175.510 0.017 0.000 1.274 216 N CA -0.639 52.424 53.050 0.021 0.000 0.941 216 N CB 0.542 39.050 38.487 0.036 0.000 1.200 216 N HN 0.082 nan 8.380 nan 0.000 0.514 217 D N 0.668 121.081 120.400 0.022 0.000 2.399 217 D HA 0.149 4.789 4.640 -0.000 0.000 0.241 217 D C -0.243 176.077 176.300 0.033 0.000 1.133 217 D CA 0.315 54.330 54.000 0.025 0.000 0.890 217 D CB 0.724 41.537 40.800 0.022 0.000 1.201 217 D HN 0.218 nan 8.370 nan 0.000 0.432 218 L N 1.040 122.288 121.223 0.043 0.000 2.331 218 L HA 0.244 4.584 4.340 -0.000 0.000 0.275 218 L C 0.889 177.772 176.870 0.021 0.000 1.022 218 L CA -0.771 54.098 54.840 0.049 0.000 0.812 218 L CB 1.548 43.660 42.059 0.088 0.000 1.257 218 L HN 0.380 nan 8.230 nan 0.000 0.435 219 S N 1.720 117.423 115.700 0.004 0.000 2.600 219 S HA 0.382 4.852 4.470 -0.000 0.000 0.265 219 S C -2.494 172.054 174.600 -0.088 0.000 1.325 219 S CA -1.157 57.029 58.200 -0.024 0.000 1.002 219 S CB 0.229 63.423 63.200 -0.010 0.000 0.921 219 S HN 0.325 nan 8.310 nan 0.000 0.554 220 P HA 0.313 nan 4.420 nan 0.000 0.271 220 P C -2.560 174.625 177.300 -0.190 0.000 1.218 220 P CA -1.232 61.779 63.100 -0.147 0.000 0.780 220 P CB -0.695 30.952 31.700 -0.088 0.000 0.901 221 P HA 0.008 nan 4.420 nan 0.000 0.265 221 P C -0.689 176.579 177.300 -0.054 0.000 1.193 221 P CA 0.388 63.327 63.100 -0.268 0.000 0.765 221 P CB 0.176 31.591 31.700 -0.474 0.000 0.823 222 V N -0.152 119.822 119.914 0.099 0.000 2.876 222 V HA 0.567 4.687 4.120 -0.000 0.000 0.312 222 V C -0.102 176.160 176.094 0.280 0.000 1.085 222 V CA -0.989 61.419 62.300 0.180 0.000 0.945 222 V CB 1.997 33.878 31.823 0.097 0.000 1.017 222 V HN 0.405 nan 8.190 nan 0.000 0.428 223 S N 3.001 118.834 115.700 0.221 0.000 2.488 223 S HA 0.502 4.972 4.470 -0.000 0.000 0.278 223 S C -0.823 173.812 174.600 0.058 0.000 1.259 223 S CA -0.235 57.976 58.200 0.018 0.000 1.061 223 S CB -0.449 62.704 63.200 -0.079 0.000 0.910 223 S HN 0.880 nan 8.310 nan 0.000 0.491 224 F N 7.475 127.353 119.950 -0.120 0.000 2.375 224 F HA 0.397 4.924 4.527 -0.000 0.000 0.361 224 F C 0.156 175.867 175.800 -0.149 0.000 1.117 224 F CA -0.956 56.981 58.000 -0.105 0.000 1.037 224 F CB 0.622 39.567 39.000 -0.091 0.000 1.192 224 F HN 0.570 nan 8.300 nan 0.000 0.452 225 N N 5.785 124.103 118.700 -0.636 0.000 2.492 225 N HA 0.063 4.803 4.740 -0.000 0.000 0.260 225 N C 0.489 175.549 175.510 -0.751 0.000 1.215 225 N CA 0.055 52.786 53.050 -0.531 0.000 0.923 225 N CB 0.948 39.225 38.487 -0.350 0.000 1.092 225 N HN 0.901 nan 8.380 nan 0.000 0.448 226 L N 2.696 123.673 121.223 -0.411 0.000 2.607 226 L HA 0.206 4.546 4.340 -0.000 0.000 0.228 226 L C 0.690 177.492 176.870 -0.113 0.000 1.123 226 L CA 0.098 54.758 54.840 -0.300 0.000 0.890 226 L CB 0.025 41.845 42.059 -0.397 0.000 1.103 226 L HN 0.470 nan 8.230 nan 0.000 0.468 227 M N -0.062 119.505 119.600 -0.054 0.000 2.211 227 M HA 0.221 4.701 4.480 -0.000 0.000 0.356 227 M C -0.613 175.675 176.300 -0.020 0.000 1.216 227 M CA -0.362 54.956 55.300 0.031 0.000 1.134 227 M CB 0.888 33.421 32.600 -0.112 0.000 1.564 227 M HN -0.167 nan 8.290 nan 0.000 0.463 228 F N 2.585 122.608 119.950 0.123 0.000 2.504 228 F HA 0.186 4.713 4.527 -0.000 0.000 0.369 228 F C 0.714 176.566 175.800 0.087 0.000 1.082 228 F CA 0.237 58.279 58.000 0.071 0.000 1.216 228 F CB 0.251 39.244 39.000 -0.011 0.000 1.108 228 F HN 0.440 nan 8.300 nan 0.000 0.554 229 K N 2.050 122.547 120.400 0.162 0.000 2.110 229 K HA 0.608 4.928 4.320 -0.000 0.000 0.263 229 K C -0.071 176.431 176.600 -0.163 0.000 0.975 229 K CA -0.408 55.816 56.287 -0.104 0.000 0.895 229 K CB 1.223 33.628 32.500 -0.158 0.000 1.060 229 K HN 0.826 nan 8.250 nan 0.000 0.448 230 T N -0.857 113.479 114.554 -0.364 0.000 2.647 230 T HA 0.537 4.887 4.350 -0.000 0.000 0.295 230 T C -1.293 173.105 174.700 -0.503 0.000 1.126 230 T CA -0.807 61.144 62.100 -0.248 0.000 1.040 230 T CB 0.528 69.320 68.868 -0.128 0.000 1.472 230 T HN 0.270 nan 8.240 nan 0.000 0.500 231 F N 0.225 120.102 119.950 -0.122 0.000 2.518 231 F HA 0.645 5.172 4.527 -0.000 0.000 0.323 231 F C -0.184 175.562 175.800 -0.090 0.000 1.129 231 F CA -1.063 56.871 58.000 -0.110 0.000 0.920 231 F CB 1.683 40.633 39.000 -0.084 0.000 1.160 231 F HN 0.477 nan 8.300 nan 0.000 0.440 232 I N 3.305 123.907 120.570 0.053 0.000 2.371 232 I HA 0.590 4.760 4.170 -0.000 0.000 0.290 232 I C 0.738 176.881 176.117 0.043 0.000 1.028 232 I CA 0.057 61.368 61.300 0.018 0.000 1.345 232 I CB 0.509 38.495 38.000 -0.023 0.000 1.407 232 I HN 0.818 nan 8.210 nan 0.000 0.501 233 G N 6.937 115.752 108.800 0.025 0.000 2.796 233 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.226 233 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.226 233 G C -2.700 172.209 174.900 0.016 0.000 1.381 233 G CA -0.969 44.141 45.100 0.016 0.000 0.867 233 G HN 0.540 nan 8.290 nan 0.000 0.552 234 P HA 0.608 nan 4.420 nan 0.000 0.279 234 P C 1.095 178.374 177.300 -0.035 0.000 1.276 234 P CA 1.363 64.448 63.100 -0.025 0.000 0.801 234 P CB 0.806 32.491 31.700 -0.025 0.000 1.127 235 G N -0.171 108.588 108.800 -0.069 0.000 2.509 235 G HA2 0.072 4.032 3.960 -0.000 0.000 0.259 235 G HA3 0.072 4.032 3.960 -0.000 0.000 0.259 235 G C 0.202 175.009 174.900 -0.154 0.000 1.169 235 G CA 0.100 45.147 45.100 -0.088 0.000 0.953 235 G HN 1.058 nan 8.290 nan 0.000 0.563 236 G N -0.706 108.033 108.800 -0.102 0.000 5.602 236 G HA2 0.529 4.489 3.960 -0.000 0.000 0.197 236 G HA3 0.529 4.489 3.960 -0.000 0.000 0.197 236 G C 0.322 175.295 174.900 0.121 0.000 0.705 236 G CA 1.004 46.040 45.100 -0.107 0.000 0.662 236 G HN 1.324 nan 8.290 nan 0.000 0.365 237 N N -0.776 117.985 118.700 0.101 0.000 2.322 237 N HA 0.180 4.920 4.740 -0.000 0.000 0.181 237 N C 1.020 176.580 175.510 0.083 0.000 1.088 237 N CA -0.061 53.038 53.050 0.081 0.000 0.885 237 N CB 0.259 38.769 38.487 0.038 0.000 1.013 237 N HN 0.299 nan 8.380 nan 0.000 0.472 238 M N 1.876 121.537 119.600 0.102 0.000 2.741 238 M HA 0.430 4.910 4.480 -0.000 0.000 0.283 238 M C -2.818 173.480 176.300 -0.005 0.000 1.176 238 M CA -2.304 53.021 55.300 0.041 0.000 1.139 238 M CB 1.075 33.689 32.600 0.022 0.000 1.234 238 M HN -0.107 nan 8.290 nan 0.000 0.497 239 P HA 0.455 nan 4.420 nan 0.000 0.274 239 P C -0.410 176.612 177.300 -0.462 0.000 1.231 239 P CA 0.145 62.945 63.100 -0.500 0.000 0.790 239 P CB 1.463 32.869 31.700 -0.490 0.000 0.951 240 G N 0.517 108.915 108.800 -0.671 0.000 2.749 240 G HA2 0.660 4.620 3.960 -0.000 0.000 0.300 240 G HA3 0.660 4.620 3.960 -0.000 0.000 0.300 240 G C -2.176 172.205 174.900 -0.865 0.000 1.352 240 G CA -0.570 44.188 45.100 -0.571 0.000 0.789 240 G HN 0.393 nan 8.290 nan 0.000 0.509 241 Y N -1.421 118.797 120.300 -0.136 0.000 2.615 241 Y HA 0.571 5.121 4.550 -0.000 0.000 0.341 241 Y C 0.049 175.873 175.900 -0.126 0.000 1.089 241 Y CA -0.920 57.112 58.100 -0.112 0.000 1.049 241 Y CB 1.906 40.314 38.460 -0.087 0.000 1.296 241 Y HN 0.367 nan 8.280 nan 0.000 0.470 242 L N 3.190 124.435 121.223 0.036 0.000 2.331 242 L HA 0.418 4.758 4.340 -0.000 0.000 0.278 242 L C 0.440 177.330 176.870 0.034 0.000 1.106 242 L CA -0.662 54.099 54.840 -0.132 0.000 0.824 242 L CB 0.528 42.263 42.059 -0.540 0.000 1.142 242 L HN 0.619 nan 8.230 nan 0.000 0.443 243 R N 4.293 124.809 120.500 0.026 0.000 2.538 243 R HA 0.075 4.414 4.340 -0.000 0.000 0.282 243 R C -2.080 174.233 176.300 0.021 0.000 1.009 243 R CA -0.997 55.096 56.100 -0.012 0.000 1.063 243 R CB 0.148 30.432 30.300 -0.026 0.000 0.945 243 R HN 0.361 nan 8.270 nan 0.000 0.414 244 P HA -0.049 nan 4.420 nan 0.000 0.245 244 P C -0.771 176.482 177.300 -0.078 0.000 1.206 244 P CA 0.793 63.817 63.100 -0.126 0.000 0.781 244 P CB 0.270 31.619 31.700 -0.586 0.000 0.994 245 E N -2.320 117.808 120.200 -0.121 0.000 2.437 245 E HA 0.291 4.641 4.350 -0.000 0.000 0.280 245 E C -0.240 176.317 176.600 -0.072 0.000 1.044 245 E CA -0.704 55.666 56.400 -0.050 0.000 0.826 245 E CB 0.227 29.904 29.700 -0.038 0.000 1.358 245 E HN -0.222 nan 8.360 nan 0.000 0.459 246 T N -2.459 112.058 114.554 -0.062 0.000 3.044 246 T HA 0.285 4.635 4.350 -0.000 0.000 0.250 246 T C 1.684 176.307 174.700 -0.129 0.000 1.081 246 T CA 0.591 62.642 62.100 -0.082 0.000 1.040 246 T CB 0.141 68.964 68.868 -0.074 0.000 0.962 246 T HN 0.524 nan 8.240 nan 0.000 0.506 247 A N 2.012 124.735 122.820 -0.162 0.000 1.940 247 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 247 A C 2.486 179.747 177.584 -0.538 0.000 1.176 247 A CA 1.327 53.142 52.037 -0.372 0.000 0.631 247 A CB -0.628 18.195 19.000 -0.294 0.000 0.814 247 A HN 0.463 nan 8.150 nan 0.000 0.446 248 Q N -0.536 119.167 119.800 -0.161 0.000 2.170 248 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 248 Q C 2.185 178.175 176.000 -0.017 0.000 0.976 248 Q CA 1.487 57.330 55.803 0.066 0.000 0.858 248 Q CB -0.995 27.820 28.738 0.129 0.000 0.907 248 Q HN 0.671 nan 8.270 nan 0.000 0.433 249 G N 1.030 109.788 108.800 -0.070 0.000 2.418 249 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 249 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 249 G C 1.569 176.462 174.900 -0.012 0.000 1.158 249 G CA 0.540 45.615 45.100 -0.042 0.000 0.771 249 G HN 0.314 nan 8.290 nan 0.000 0.545 250 I N -0.098 120.433 120.570 -0.065 0.000 2.315 250 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 250 I C 2.361 178.621 176.117 0.237 0.000 1.117 250 I CA 0.649 61.975 61.300 0.044 0.000 1.404 250 I CB -0.218 37.773 38.000 -0.016 0.000 1.071 250 I HN 0.031 nan 8.210 nan 0.000 0.419 251 F N 0.760 120.876 119.950 0.275 0.000 2.113 251 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 251 F C 2.310 178.199 175.800 0.147 0.000 1.103 251 F CA 1.094 59.264 58.000 0.284 0.000 1.248 251 F CB -1.182 37.992 39.000 0.290 0.000 0.999 251 F HN -0.056 nan 8.300 nan 0.000 0.475 252 L N -0.209 121.120 121.223 0.177 0.000 2.187 252 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 252 L C 1.324 178.253 176.870 0.098 0.000 1.100 252 L CA 1.163 56.024 54.840 0.035 0.000 0.765 252 L CB -0.546 41.477 42.059 -0.060 0.000 0.904 252 L HN 0.195 nan 8.230 nan 0.000 0.437 253 N N -0.816 117.966 118.700 0.137 0.000 2.276 253 N HA -0.010 4.730 4.740 -0.000 0.000 0.212 253 N C 1.302 176.901 175.510 0.149 0.000 1.127 253 N CA 0.035 53.149 53.050 0.107 0.000 0.834 253 N CB 0.365 38.888 38.487 0.060 0.000 1.014 253 N HN 0.204 nan 8.380 nan 0.000 0.491 254 F N 2.333 122.339 119.950 0.093 0.000 2.134 254 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 254 F C 2.199 178.006 175.800 0.012 0.000 1.097 254 F CA 1.459 59.500 58.000 0.067 0.000 1.264 254 F CB 0.254 39.281 39.000 0.044 0.000 1.001 254 F HN -0.143 nan 8.300 nan 0.000 0.479 255 K N 0.438 120.883 120.400 0.075 0.000 2.009 255 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 255 K C 2.266 178.789 176.600 -0.128 0.000 1.049 255 K CA 1.707 57.974 56.287 -0.033 0.000 0.929 255 K CB -0.452 32.081 32.500 0.054 0.000 0.714 255 K HN 0.316 nan 8.250 nan 0.000 0.440 256 R N 0.522 120.980 120.500 -0.070 0.000 2.091 256 R HA -0.080 4.260 4.340 -0.000 0.000 0.238 256 R C 2.515 178.749 176.300 -0.111 0.000 1.136 256 R CA 1.180 57.243 56.100 -0.061 0.000 0.959 256 R CB -0.385 29.899 30.300 -0.028 0.000 0.856 256 R HN 0.148 nan 8.270 nan 0.000 0.437 257 L N 0.221 121.325 121.223 -0.198 0.000 2.093 257 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 257 L C 2.376 178.863 176.870 -0.637 0.000 1.085 257 L CA 0.568 55.219 54.840 -0.315 0.000 0.755 257 L CB -0.400 41.541 42.059 -0.196 0.000 0.904 257 L HN 0.172 nan 8.230 nan 0.000 0.435 258 L N 0.234 120.989 121.223 -0.780 0.000 2.027 258 L HA -0.212 4.128 4.340 -0.000 0.000 0.206 258 L C 2.496 179.119 176.870 -0.411 0.000 1.074 258 L CA 1.814 56.173 54.840 -0.802 0.000 0.745 258 L CB -0.575 41.065 42.059 -0.698 0.000 0.898 258 L HN 0.293 nan 8.230 nan 0.000 0.433 259 E N -1.044 119.004 120.200 -0.255 0.000 2.038 259 E HA -0.339 4.011 4.350 -0.000 0.000 0.195 259 E C 2.244 178.772 176.600 -0.120 0.000 1.000 259 E CA 1.771 58.087 56.400 -0.141 0.000 0.803 259 E CB -0.505 29.147 29.700 -0.080 0.000 0.750 259 E HN 0.482 nan 8.360 nan 0.000 0.448 260 F N 1.802 121.614 119.950 -0.230 0.000 2.192 260 F HA -0.190 4.337 4.527 -0.000 0.000 0.301 260 F C 1.830 177.508 175.800 -0.203 0.000 1.079 260 F CA 1.551 59.438 58.000 -0.189 0.000 1.303 260 F CB -0.063 38.831 39.000 -0.177 0.000 1.024 260 F HN 0.053 nan 8.300 nan 0.000 0.494 261 N N 0.640 119.249 118.700 -0.151 0.000 2.346 261 N HA -0.056 4.684 4.740 -0.000 0.000 0.225 261 N C -0.306 175.101 175.510 -0.172 0.000 1.144 261 N CA 0.252 53.189 53.050 -0.188 0.000 0.837 261 N CB -0.022 38.265 38.487 -0.333 0.000 1.069 261 N HN 0.291 nan 8.380 nan 0.000 0.487 262 Q N -1.177 118.516 119.800 -0.179 0.000 2.481 262 Q HA -0.203 4.137 4.340 -0.000 0.000 0.272 262 Q C 0.822 176.766 176.000 -0.093 0.000 1.157 262 Q CA 1.031 56.757 55.803 -0.128 0.000 0.935 262 Q CB -2.343 26.331 28.738 -0.106 0.000 1.338 262 Q HN 0.669 nan 8.270 nan 0.000 0.494 263 G N -1.008 107.722 108.800 -0.118 0.000 2.175 263 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.265 263 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.265 263 G C 0.249 175.136 174.900 -0.022 0.000 0.979 263 G CA 1.090 46.144 45.100 -0.077 0.000 0.663 263 G HN 0.346 nan 8.290 nan 0.000 0.533 264 K N -0.675 119.713 120.400 -0.019 0.000 2.087 264 K HA 0.832 5.152 4.320 -0.000 0.000 0.255 264 K C -0.371 176.312 176.600 0.138 0.000 0.988 264 K CA -0.770 55.544 56.287 0.046 0.000 0.915 264 K CB 0.988 33.504 32.500 0.028 0.000 1.043 264 K HN 0.142 nan 8.250 nan 0.000 0.457 265 L N 3.571 124.891 121.223 0.162 0.000 2.388 265 L HA 0.608 4.948 4.340 -0.000 0.000 0.264 265 L C -2.305 174.647 176.870 0.138 0.000 0.998 265 L CA -1.785 53.188 54.840 0.222 0.000 0.817 265 L CB 1.640 43.825 42.059 0.209 0.000 1.338 265 L HN 0.704 nan 8.230 nan 0.000 0.414 266 P HA 0.533 nan 4.420 nan 0.000 0.278 266 P C -1.470 175.939 177.300 0.182 0.000 1.266 266 P CA -0.163 62.980 63.100 0.072 0.000 0.807 266 P CB 1.088 32.770 31.700 -0.030 0.000 1.094 267 F N -2.483 117.463 119.950 -0.008 0.000 2.713 267 F HA 0.778 5.305 4.527 -0.000 0.000 0.311 267 F C -2.012 173.831 175.800 0.070 0.000 1.141 267 F CA -1.336 56.698 58.000 0.056 0.000 0.939 267 F CB 0.981 40.040 39.000 0.098 0.000 1.325 267 F HN 0.531 nan 8.300 nan 0.000 0.453 268 A N 1.363 124.342 122.820 0.265 0.000 2.435 268 A HA 0.991 5.311 4.320 -0.000 0.000 0.304 268 A C -1.342 176.455 177.584 0.356 0.000 1.064 268 A CA -0.376 51.771 52.037 0.183 0.000 0.727 268 A CB 1.270 20.451 19.000 0.300 0.000 1.284 268 A HN 1.891 nan 8.150 nan 0.000 0.415 269 A N 0.357 123.346 122.820 0.281 0.000 2.380 269 A HA 0.982 5.302 4.320 -0.000 0.000 0.315 269 A C -0.211 177.471 177.584 0.163 0.000 1.101 269 A CA -0.055 52.142 52.037 0.267 0.000 0.771 269 A CB 1.537 20.750 19.000 0.356 0.000 1.287 269 A HN 2.508 nan 8.150 nan 0.000 0.436 270 A N 0.667 123.576 122.820 0.148 0.000 2.539 270 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 270 A C -1.078 176.564 177.584 0.096 0.000 1.073 270 A CA -0.515 51.615 52.037 0.155 0.000 0.700 270 A CB 1.435 20.603 19.000 0.280 0.000 1.296 270 A HN 0.787 nan 8.150 nan 0.000 0.405 271 Q N 0.330 120.159 119.800 0.048 0.000 2.356 271 Q HA 0.592 4.932 4.340 -0.000 0.000 0.270 271 Q C -1.693 174.256 176.000 -0.085 0.000 1.058 271 Q CA -0.626 55.169 55.803 -0.012 0.000 0.802 271 Q CB 2.590 31.304 28.738 -0.041 0.000 1.303 271 Q HN 0.599 nan 8.270 nan 0.000 0.444 272 I N 1.458 121.968 120.570 -0.100 0.000 2.382 272 I HA 0.671 4.841 4.170 -0.000 0.000 0.285 272 I C 0.236 176.270 176.117 -0.138 0.000 1.007 272 I CA 0.002 61.189 61.300 -0.189 0.000 1.142 272 I CB 1.818 39.706 38.000 -0.188 0.000 1.289 272 I HN 0.697 nan 8.210 nan 0.000 0.453 273 G N 4.247 112.957 108.800 -0.151 0.000 2.488 273 G HA2 0.324 4.284 3.960 -0.000 0.000 0.301 273 G HA3 0.324 4.284 3.960 -0.000 0.000 0.301 273 G C -1.649 173.155 174.900 -0.161 0.000 1.339 273 G CA -0.797 44.227 45.100 -0.127 0.000 0.803 273 G HN 0.277 nan 8.290 nan 0.000 0.482 274 N N 0.047 118.637 118.700 -0.184 0.000 2.498 274 N HA 0.721 5.460 4.740 -0.000 0.000 0.287 274 N C -0.375 174.901 175.510 -0.389 0.000 1.097 274 N CA -0.093 52.742 53.050 -0.358 0.000 0.973 274 N CB 1.730 39.955 38.487 -0.437 0.000 1.153 274 N HN 0.453 nan 8.380 nan 0.000 0.472 275 S N 0.576 115.846 115.700 -0.718 0.000 2.667 275 S HA 0.723 5.193 4.470 -0.000 0.000 0.292 275 S C -1.128 172.749 174.600 -1.205 0.000 1.126 275 S CA -0.595 57.265 58.200 -0.567 0.000 0.881 275 S CB 1.112 64.149 63.200 -0.271 0.000 1.132 275 S HN 0.342 nan 8.310 nan 0.000 0.492 276 F N 0.819 120.525 119.950 -0.407 0.000 2.578 276 F HA 0.661 5.188 4.527 -0.000 0.000 0.311 276 F C 0.105 176.080 175.800 0.291 0.000 1.094 276 F CA -0.744 57.184 58.000 -0.121 0.000 0.923 276 F CB 1.746 40.765 39.000 0.033 0.000 1.230 276 F HN 0.355 nan 8.300 nan 0.000 0.450 277 R N 1.942 122.854 120.500 0.687 0.000 2.569 277 R HA 0.274 4.614 4.340 -0.000 0.000 0.293 277 R C -1.207 175.315 176.300 0.369 0.000 1.186 277 R CA -0.565 55.877 56.100 0.569 0.000 0.956 277 R CB 0.780 31.469 30.300 0.648 0.000 1.196 277 R HN 0.647 nan 8.270 nan 0.000 0.444 278 N N 2.671 121.324 118.700 -0.079 0.000 2.744 278 N HA -0.028 4.712 4.740 -0.000 0.000 0.290 278 N C -0.716 174.794 175.510 -0.000 0.000 1.206 278 N CA 0.080 52.894 53.050 -0.394 0.000 1.119 278 N CB 0.316 38.172 38.487 -1.051 0.000 1.449 278 N HN 0.469 nan 8.380 nan 0.000 0.514 279 E N 1.241 121.499 120.200 0.098 0.000 2.413 279 E HA 0.023 4.373 4.350 -0.000 0.000 0.263 279 E C 1.079 177.689 176.600 0.017 0.000 1.015 279 E CA -0.016 56.423 56.400 0.065 0.000 0.916 279 E CB 0.493 30.241 29.700 0.079 0.000 0.947 279 E HN 0.410 nan 8.360 nan 0.000 0.440 280 I N 1.350 121.885 120.570 -0.058 0.000 2.142 280 I HA -0.204 3.966 4.170 -0.000 0.000 0.240 280 I C 0.634 176.669 176.117 -0.137 0.000 1.078 280 I CA 1.390 62.577 61.300 -0.189 0.000 1.343 280 I CB 0.034 37.882 38.000 -0.254 0.000 1.046 280 I HN 0.242 nan 8.210 nan 0.000 0.405 281 S N 0.950 116.600 115.700 -0.083 0.000 2.356 281 S HA 0.298 4.768 4.470 -0.000 0.000 0.171 281 S C -2.491 172.114 174.600 0.009 0.000 1.399 281 S CA -0.884 57.287 58.200 -0.047 0.000 1.225 281 S CB 0.891 64.049 63.200 -0.071 0.000 1.271 281 S HN 0.019 nan 8.310 nan 0.000 0.427 282 P HA 0.382 nan 4.420 nan 0.000 0.276 282 P C -0.469 176.876 177.300 0.076 0.000 1.243 282 P CA -0.378 62.759 63.100 0.061 0.000 0.768 282 P CB 0.576 32.329 31.700 0.089 0.000 0.856 283 R N 1.249 121.799 120.500 0.083 0.000 2.559 283 R HA 0.206 4.546 4.340 -0.000 0.000 0.448 283 R C -0.204 176.164 176.300 0.114 0.000 0.953 283 R CA -0.129 56.034 56.100 0.104 0.000 1.086 283 R CB 0.379 30.742 30.300 0.105 0.000 1.491 283 R HN 0.308 nan 8.270 nan 0.000 0.597 284 S N 0.464 116.191 115.700 0.044 0.000 2.668 284 S HA 0.289 4.759 4.470 -0.000 0.000 0.244 284 S C 0.801 175.238 174.600 -0.272 0.000 1.140 284 S CA -0.039 58.104 58.200 -0.096 0.000 1.134 284 S CB 1.307 64.349 63.200 -0.264 0.000 0.954 284 S HN 0.674 nan 8.310 nan 0.000 0.490 285 G N 2.379 111.163 108.800 -0.026 0.000 2.627 285 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.312 285 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.312 285 G C 0.674 175.397 174.900 -0.296 0.000 1.299 285 G CA 0.496 45.541 45.100 -0.092 0.000 0.989 285 G HN 0.460 nan 8.290 nan 0.000 0.547 286 L N 0.136 120.995 121.223 -0.607 0.000 2.353 286 L HA -0.048 4.292 4.340 -0.000 0.000 0.220 286 L C 2.940 179.567 176.870 -0.406 0.000 1.133 286 L CA 0.630 55.118 54.840 -0.588 0.000 0.798 286 L CB -0.402 41.264 42.059 -0.656 0.000 0.922 286 L HN 0.485 nan 8.230 nan 0.000 0.445 287 I N -0.650 119.606 120.570 -0.523 0.000 2.202 287 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 287 I C 1.290 177.248 176.117 -0.265 0.000 1.091 287 I CA 1.245 62.286 61.300 -0.430 0.000 1.368 287 I CB -0.304 37.319 38.000 -0.627 0.000 1.058 287 I HN 0.043 nan 8.210 nan 0.000 0.410 288 R N 1.038 121.423 120.500 -0.192 0.000 2.287 288 R HA 0.450 4.790 4.340 -0.000 0.000 0.316 288 R C -0.877 175.449 176.300 0.045 0.000 1.050 288 R CA -0.310 55.746 56.100 -0.072 0.000 0.983 288 R CB 0.995 31.273 30.300 -0.038 0.000 1.140 288 R HN 0.054 nan 8.270 nan 0.000 0.528 289 V N -0.169 119.794 119.914 0.081 0.000 2.919 289 V HA 0.539 4.659 4.120 -0.000 0.000 0.316 289 V C 0.918 177.226 176.094 0.357 0.000 1.077 289 V CA -1.099 61.346 62.300 0.242 0.000 0.977 289 V CB 2.663 34.665 31.823 0.299 0.000 1.039 289 V HN 0.542 nan 8.190 nan 0.000 0.441 290 R N 0.083 120.812 120.500 0.380 0.000 2.280 290 R HA 0.347 4.687 4.340 -0.000 0.000 0.195 290 R C 0.368 176.900 176.300 0.385 0.000 0.935 290 R CA 0.347 56.733 56.100 0.475 0.000 1.033 290 R CB 0.526 31.123 30.300 0.495 0.000 0.964 290 R HN 0.898 nan 8.270 nan 0.000 0.489 291 E N 0.597 120.924 120.200 0.212 0.000 2.275 291 E HA 0.349 4.699 4.350 -0.000 0.000 0.270 291 E C -1.585 174.950 176.600 -0.108 0.000 0.882 291 E CA -0.805 55.424 56.400 -0.285 0.000 0.758 291 E CB 1.280 30.850 29.700 -0.217 0.000 1.195 291 E HN -0.032 nan 8.360 nan 0.000 0.419 292 F N -0.610 119.170 119.950 -0.284 0.000 2.688 292 F HA 0.411 4.938 4.527 -0.000 0.000 0.308 292 F C -0.975 174.687 175.800 -0.229 0.000 1.117 292 F CA -1.068 56.825 58.000 -0.178 0.000 0.976 292 F CB 1.142 40.083 39.000 -0.098 0.000 1.291 292 F HN 0.063 nan 8.300 nan 0.000 0.439 293 T N 4.477 119.021 114.554 -0.016 0.000 2.817 293 T HA 0.552 4.902 4.350 -0.000 0.000 0.293 293 T C -0.104 174.580 174.700 -0.027 0.000 0.964 293 T CA -0.429 61.609 62.100 -0.103 0.000 1.085 293 T CB 0.762 69.525 68.868 -0.175 0.000 0.921 293 T HN 0.450 nan 8.240 nan 0.000 0.502 294 M N 2.232 121.791 119.600 -0.068 0.000 2.598 294 M HA 0.679 5.159 4.480 -0.000 0.000 0.317 294 M C -0.370 175.777 176.300 -0.255 0.000 1.179 294 M CA -1.096 54.155 55.300 -0.081 0.000 0.936 294 M CB 1.897 34.504 32.600 0.011 0.000 1.713 294 M HN 0.653 nan 8.290 nan 0.000 0.460 295 A N 2.139 124.734 122.820 -0.376 0.000 2.340 295 A HA 0.671 4.991 4.320 -0.000 0.000 0.297 295 A C -0.755 176.646 177.584 -0.305 0.000 1.195 295 A CA -0.593 51.001 52.037 -0.738 0.000 0.769 295 A CB 0.804 18.667 19.000 -1.894 0.000 1.163 295 A HN 0.821 nan 8.150 nan 0.000 0.472 296 E N 2.079 122.205 120.200 -0.124 0.000 2.222 296 E HA 0.586 4.936 4.350 -0.000 0.000 0.267 296 E C -1.169 175.499 176.600 0.113 0.000 0.884 296 E CA -0.514 55.913 56.400 0.045 0.000 0.764 296 E CB 2.457 32.143 29.700 -0.023 0.000 1.169 296 E HN 0.640 nan 8.360 nan 0.000 0.413 297 I N 1.941 122.587 120.570 0.127 0.000 2.530 297 I HA 0.263 4.433 4.170 -0.000 0.000 0.297 297 I C -0.257 175.799 176.117 -0.102 0.000 1.011 297 I CA -0.782 60.557 61.300 0.065 0.000 1.107 297 I CB 1.636 39.682 38.000 0.077 0.000 1.285 297 I HN 0.279 nan 8.210 nan 0.000 0.436 298 E N 4.877 124.979 120.200 -0.163 0.000 2.186 298 E HA 0.210 4.560 4.350 -0.000 0.000 0.255 298 E C -1.024 175.235 176.600 -0.567 0.000 0.881 298 E CA -0.415 55.742 56.400 -0.406 0.000 0.752 298 E CB 1.585 31.019 29.700 -0.443 0.000 1.176 298 E HN 0.443 nan 8.360 nan 0.000 0.421 299 H N 4.736 123.437 119.070 -0.614 0.000 2.641 299 H HA 0.238 4.794 4.556 -0.000 0.000 0.295 299 H C -0.948 174.092 175.328 -0.481 0.000 1.070 299 H CA -0.486 55.297 56.048 -0.442 0.000 1.257 299 H CB -0.048 29.522 29.762 -0.320 0.000 1.393 299 H HN 0.253 nan 8.280 nan 0.000 0.464 300 F N 4.152 123.791 119.950 -0.519 0.000 2.396 300 F HA 0.310 4.837 4.527 -0.000 0.000 0.343 300 F C 0.360 175.963 175.800 -0.329 0.000 1.104 300 F CA -0.446 57.341 58.000 -0.355 0.000 1.161 300 F CB 1.300 40.033 39.000 -0.445 0.000 1.146 300 F HN 0.192 nan 8.300 nan 0.000 0.522 301 V N 3.102 123.077 119.914 0.102 0.000 2.932 301 V HA 0.315 4.435 4.120 -0.000 0.000 0.307 301 V C -1.212 174.966 176.094 0.139 0.000 1.147 301 V CA -0.787 61.580 62.300 0.111 0.000 0.951 301 V CB 1.982 33.919 31.823 0.191 0.000 1.031 301 V HN 0.731 nan 8.190 nan 0.000 0.426 302 D N 7.599 128.072 120.400 0.123 0.000 2.401 302 D HA 0.247 4.887 4.640 -0.000 0.000 0.254 302 D C -1.467 174.889 176.300 0.094 0.000 1.192 302 D CA -1.505 52.562 54.000 0.112 0.000 0.885 302 D CB 2.138 42.999 40.800 0.101 0.000 1.147 302 D HN 0.439 nan 8.370 nan 0.000 0.478 303 P HA -0.178 nan 4.420 nan 0.000 0.219 303 P C 1.256 178.588 177.300 0.055 0.000 1.146 303 P CA 0.992 64.133 63.100 0.069 0.000 0.808 303 P CB 0.144 31.880 31.700 0.059 0.000 0.779 304 S N -0.088 115.646 115.700 0.057 0.000 2.357 304 S HA -0.076 4.394 4.470 -0.000 0.000 0.221 304 S C 1.301 175.927 174.600 0.042 0.000 1.031 304 S CA 0.771 58.999 58.200 0.048 0.000 0.982 304 S CB -0.902 62.330 63.200 0.054 0.000 0.853 304 S HN 0.028 nan 8.310 nan 0.000 0.458 305 E N 1.654 121.885 120.200 0.050 0.000 2.368 305 E HA 0.247 4.597 4.350 -0.000 0.000 0.283 305 E C -0.496 176.133 176.600 0.048 0.000 1.476 305 E CA 0.016 56.441 56.400 0.042 0.000 1.786 305 E CB 0.170 29.896 29.700 0.044 0.000 1.518 305 E HN 0.564 nan 8.360 nan 0.000 0.456 306 K N 1.953 122.380 120.400 0.045 0.000 2.997 306 K HA 0.071 4.391 4.320 -0.000 0.000 0.249 306 K C -0.937 175.681 176.600 0.031 0.000 1.284 306 K CA -0.147 56.173 56.287 0.054 0.000 1.245 306 K CB -0.028 32.503 32.500 0.052 0.000 1.670 306 K HN -0.042 nan 8.250 nan 0.000 0.385 307 D N 0.022 120.439 120.400 0.027 0.000 2.863 307 D HA 0.070 4.710 4.640 -0.000 0.000 0.245 307 D C -1.512 174.810 176.300 0.037 0.000 1.211 307 D CA -0.625 53.382 54.000 0.011 0.000 0.888 307 D CB 0.828 41.625 40.800 -0.004 0.000 1.483 307 D HN 0.223 nan 8.370 nan 0.000 0.533 308 H N 4.879 123.929 119.070 -0.033 0.000 2.652 308 H HA 0.273 4.829 4.556 -0.000 0.000 0.298 308 H C -1.742 173.542 175.328 -0.073 0.000 1.076 308 H CA -1.983 54.030 56.048 -0.059 0.000 1.360 308 H CB 1.743 31.438 29.762 -0.112 0.000 1.421 308 H HN 0.330 nan 8.280 nan 0.000 0.464 309 P HA -0.131 nan 4.420 nan 0.000 0.217 309 P C 0.590 177.941 177.300 0.084 0.000 1.148 309 P CA 1.541 64.680 63.100 0.065 0.000 0.828 309 P CB 0.348 32.038 31.700 -0.017 0.000 0.783 310 K N -2.132 118.326 120.400 0.097 0.000 2.437 310 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 310 K C 1.400 177.891 176.600 -0.182 0.000 1.024 310 K CA -0.184 56.003 56.287 -0.167 0.000 1.148 310 K CB -0.451 31.811 32.500 -0.397 0.000 0.860 310 K HN 0.081 nan 8.250 nan 0.000 0.515 311 F N 2.442 122.282 119.950 -0.184 0.000 2.161 311 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 311 F C 2.148 177.936 175.800 -0.020 0.000 1.089 311 F CA 1.644 59.606 58.000 -0.063 0.000 1.282 311 F CB 0.047 39.029 39.000 -0.030 0.000 1.010 311 F HN 0.012 nan 8.300 nan 0.000 0.485 312 Q N 0.653 120.382 119.800 -0.119 0.000 2.500 312 Q HA -0.116 4.224 4.340 -0.000 0.000 0.213 312 Q C 1.466 177.332 176.000 -0.223 0.000 0.974 312 Q CA 1.385 57.069 55.803 -0.198 0.000 0.918 312 Q CB -0.790 27.917 28.738 -0.050 0.000 0.980 312 Q HN 0.623 nan 8.270 nan 0.000 0.505 313 N N -1.491 117.101 118.700 -0.180 0.000 2.396 313 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 313 N C 0.999 176.387 175.510 -0.203 0.000 1.028 313 N CA 1.011 53.979 53.050 -0.136 0.000 0.893 313 N CB 0.414 38.871 38.487 -0.051 0.000 0.967 313 N HN 0.238 nan 8.380 nan 0.000 0.440 314 V N -3.850 115.853 119.914 -0.352 0.000 3.432 314 V HA 0.487 4.607 4.120 -0.000 0.000 0.298 314 V C 1.740 177.504 176.094 -0.550 0.000 1.464 314 V CA 0.042 62.104 62.300 -0.397 0.000 1.046 314 V CB 0.112 31.703 31.823 -0.386 0.000 0.887 314 V HN 0.032 nan 8.190 nan 0.000 0.441 315 A N 0.770 123.159 122.820 -0.718 0.000 2.024 315 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 315 A C 1.768 179.123 177.584 -0.382 0.000 1.164 315 A CA 2.158 53.806 52.037 -0.647 0.000 0.643 315 A CB -0.530 18.167 19.000 -0.506 0.000 0.806 315 A HN 0.564 nan 8.150 nan 0.000 0.451 316 D N -0.568 119.637 120.400 -0.325 0.000 2.349 316 D HA 0.133 4.773 4.640 -0.000 0.000 0.215 316 D C 0.355 176.411 176.300 -0.408 0.000 1.016 316 D CA 0.056 53.878 54.000 -0.298 0.000 0.870 316 D CB -0.051 40.655 40.800 -0.156 0.000 0.917 316 D HN 0.382 nan 8.370 nan 0.000 0.524 317 L N 1.577 122.574 121.223 -0.377 0.000 2.490 317 L HA 0.010 4.350 4.340 -0.000 0.000 0.274 317 L C 0.592 177.140 176.870 -0.536 0.000 1.201 317 L CA 0.454 55.075 54.840 -0.365 0.000 0.869 317 L CB 0.458 42.300 42.059 -0.361 0.000 1.123 317 L HN -0.012 nan 8.230 nan 0.000 0.484 318 H N 5.208 124.129 119.070 -0.248 0.000 2.541 318 H HA 0.509 5.065 4.556 -0.000 0.000 0.316 318 H C -0.766 174.370 175.328 -0.319 0.000 1.043 318 H CA -0.630 55.273 56.048 -0.241 0.000 1.232 318 H CB 1.258 30.922 29.762 -0.163 0.000 1.406 318 H HN 0.281 nan 8.280 nan 0.000 0.469 319 L N 0.225 121.298 121.223 -0.249 0.000 2.424 319 L HA 0.409 4.749 4.340 -0.000 0.000 0.258 319 L C -0.947 175.884 176.870 -0.066 0.000 0.995 319 L CA -1.346 53.386 54.840 -0.180 0.000 0.821 319 L CB 0.582 42.444 42.059 -0.328 0.000 1.383 319 L HN 0.209 nan 8.230 nan 0.000 0.410 320 Y N 2.116 122.523 120.300 0.179 0.000 2.537 320 Y HA 0.508 5.058 4.550 -0.000 0.000 0.339 320 Y C -0.011 176.044 175.900 0.258 0.000 1.066 320 Y CA 0.270 58.481 58.100 0.185 0.000 1.357 320 Y CB 0.434 38.994 38.460 0.166 0.000 1.175 320 Y HN 0.370 nan 8.280 nan 0.000 0.525 321 L N 4.487 125.912 121.223 0.336 0.000 2.329 321 L HA 0.342 4.682 4.340 -0.000 0.000 0.279 321 L C -1.062 176.104 176.870 0.493 0.000 1.014 321 L CA -1.110 53.989 54.840 0.432 0.000 0.814 321 L CB 1.461 43.677 42.059 0.263 0.000 1.257 321 L HN 0.495 nan 8.230 nan 0.000 0.424 322 Y N 2.902 123.425 120.300 0.371 0.000 2.646 322 Y HA 0.281 4.831 4.550 -0.000 0.000 0.334 322 Y C 0.349 176.279 175.900 0.049 0.000 1.004 322 Y CA -1.397 56.791 58.100 0.146 0.000 1.301 322 Y CB 0.976 39.444 38.460 0.015 0.000 1.093 322 Y HN 0.651 nan 8.280 nan 0.000 0.530 323 S N 2.204 117.922 115.700 0.030 0.000 2.589 323 S HA 0.437 4.907 4.470 -0.000 0.000 0.265 323 S C 1.428 175.821 174.600 -0.345 0.000 1.342 323 S CA -0.106 58.014 58.200 -0.132 0.000 1.005 323 S CB 1.406 64.627 63.200 0.036 0.000 0.909 323 S HN 0.771 nan 8.310 nan 0.000 0.555 324 A N 1.461 124.084 122.820 -0.327 0.000 1.972 324 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 324 A C 2.200 179.663 177.584 -0.202 0.000 1.169 324 A CA 1.461 53.328 52.037 -0.283 0.000 0.635 324 A CB -0.744 18.121 19.000 -0.224 0.000 0.810 324 A HN 0.902 nan 8.150 nan 0.000 0.446 325 K N -0.351 119.970 120.400 -0.133 0.000 2.025 325 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 325 K C 2.344 178.891 176.600 -0.088 0.000 1.049 325 K CA 1.087 57.325 56.287 -0.082 0.000 0.933 325 K CB -0.338 32.143 32.500 -0.032 0.000 0.714 325 K HN 0.416 nan 8.250 nan 0.000 0.438 326 A N 1.442 124.205 122.820 -0.096 0.000 1.940 326 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 326 A C 2.031 179.542 177.584 -0.121 0.000 1.176 326 A CA 1.601 53.604 52.037 -0.057 0.000 0.631 326 A CB -0.513 18.501 19.000 0.024 0.000 0.814 326 A HN 0.344 nan 8.150 nan 0.000 0.446 327 Q N -0.778 118.828 119.800 -0.323 0.000 2.119 327 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 327 Q C 2.134 178.049 176.000 -0.143 0.000 0.972 327 Q CA 1.487 57.102 55.803 -0.313 0.000 0.847 327 Q CB -0.267 28.185 28.738 -0.477 0.000 0.903 327 Q HN 0.501 nan 8.270 nan 0.000 0.433 328 V N 0.907 120.744 119.914 -0.129 0.000 2.307 328 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 328 V C 2.342 178.410 176.094 -0.043 0.000 1.045 328 V CA 1.985 64.238 62.300 -0.078 0.000 1.024 328 V CB -0.632 31.147 31.823 -0.074 0.000 0.651 328 V HN 0.467 nan 8.190 nan 0.000 0.449 329 S N 0.312 115.992 115.700 -0.034 0.000 2.447 329 S HA 0.090 4.560 4.470 -0.000 0.000 0.233 329 S C 1.643 176.247 174.600 0.007 0.000 1.006 329 S CA 0.844 59.038 58.200 -0.009 0.000 0.957 329 S CB -0.085 63.115 63.200 0.000 0.000 0.773 329 S HN 1.381 nan 8.310 nan 0.000 0.507 330 G N 1.620 110.426 108.800 0.009 0.000 2.212 330 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.255 330 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.255 330 G C -0.263 174.677 174.900 0.065 0.000 1.062 330 G CA 0.198 45.320 45.100 0.037 0.000 0.815 330 G HN 0.976 nan 8.290 nan 0.000 0.497 331 Q N -0.742 119.108 119.800 0.084 0.000 2.252 331 Q HA 0.820 5.160 4.340 -0.000 0.000 0.256 331 Q C 0.296 176.402 176.000 0.177 0.000 1.020 331 Q CA -0.622 55.243 55.803 0.103 0.000 0.913 331 Q CB 1.319 30.107 28.738 0.083 0.000 1.286 331 Q HN 0.157 nan 8.270 nan 0.000 0.480 332 S N -0.050 115.734 115.700 0.141 0.000 2.634 332 S HA 0.528 4.998 4.470 -0.000 0.000 0.261 332 S C -0.200 174.510 174.600 0.184 0.000 1.271 332 S CA -0.313 57.958 58.200 0.118 0.000 0.985 332 S CB 0.890 64.126 63.200 0.059 0.000 0.968 332 S HN 0.707 nan 8.310 nan 0.000 0.568 333 A N 1.106 123.952 122.820 0.042 0.000 2.407 333 A HA 0.450 4.770 4.320 -0.000 0.000 0.248 333 A C 0.108 177.834 177.584 0.236 0.000 1.082 333 A CA -0.054 52.080 52.037 0.162 0.000 0.785 333 A CB 0.105 19.055 19.000 -0.084 0.000 1.020 333 A HN 0.742 nan 8.150 nan 0.000 0.489 334 R N 0.592 121.245 120.500 0.253 0.000 2.445 334 R HA 0.361 4.701 4.340 -0.000 0.000 0.308 334 R C -0.506 175.841 176.300 0.079 0.000 0.961 334 R CA -0.633 55.568 56.100 0.169 0.000 0.862 334 R CB 1.752 32.129 30.300 0.128 0.000 1.144 334 R HN 0.737 nan 8.270 nan 0.000 0.447 335 K N 4.336 124.663 120.400 -0.121 0.000 2.310 335 K HA 0.229 4.549 4.320 -0.000 0.000 0.290 335 K C -0.606 175.907 176.600 -0.144 0.000 1.077 335 K CA 0.228 56.271 56.287 -0.407 0.000 0.922 335 K CB 0.505 32.550 32.500 -0.758 0.000 1.057 335 K HN 0.465 nan 8.250 nan 0.000 0.479 336 M N 2.983 122.528 119.600 -0.092 0.000 2.662 336 M HA 0.362 4.842 4.480 -0.000 0.000 0.310 336 M C -0.226 176.032 176.300 -0.070 0.000 1.204 336 M CA -1.113 54.168 55.300 -0.032 0.000 0.891 336 M CB 2.081 34.662 32.600 -0.031 0.000 1.732 336 M HN 0.479 nan 8.290 nan 0.000 0.467 337 R N 1.424 121.880 120.500 -0.074 0.000 2.401 337 R HA 0.182 4.522 4.340 -0.000 0.000 0.299 337 R C 0.820 176.976 176.300 -0.240 0.000 1.064 337 R CA -0.070 55.828 56.100 -0.338 0.000 1.000 337 R CB 0.499 30.639 30.300 -0.267 0.000 0.973 337 R HN 0.848 nan 8.270 nan 0.000 0.438 338 L N 4.379 125.421 121.223 -0.302 0.000 2.021 338 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 338 L C 1.970 178.833 176.870 -0.012 0.000 1.074 338 L CA 2.179 56.903 54.840 -0.194 0.000 0.760 338 L CB -0.532 41.368 42.059 -0.265 0.000 0.889 338 L HN 1.030 nan 8.230 nan 0.000 0.433 339 G N -0.847 107.934 108.800 -0.032 0.000 2.446 339 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 339 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 339 G C 1.066 176.001 174.900 0.058 0.000 1.168 339 G CA 1.023 46.192 45.100 0.114 0.000 0.771 339 G HN 0.381 nan 8.290 nan 0.000 0.551 340 D N 1.064 121.458 120.400 -0.010 0.000 2.104 340 D HA -0.048 4.591 4.640 -0.000 0.000 0.194 340 D C 2.825 179.121 176.300 -0.007 0.000 0.994 340 D CA 1.304 55.301 54.000 -0.005 0.000 0.830 340 D CB -0.651 40.144 40.800 -0.009 0.000 0.959 340 D HN 0.306 nan 8.370 nan 0.000 0.452 341 A N 0.563 123.367 122.820 -0.027 0.000 1.917 341 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 341 A C 2.505 180.066 177.584 -0.038 0.000 1.182 341 A CA 1.621 53.636 52.037 -0.037 0.000 0.633 341 A CB -0.780 18.162 19.000 -0.096 0.000 0.819 341 A HN 0.179 nan 8.150 nan 0.000 0.448 342 V N 0.147 120.036 119.914 -0.042 0.000 2.379 342 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 342 V C 2.485 178.547 176.094 -0.054 0.000 1.044 342 V CA 1.915 64.164 62.300 -0.085 0.000 1.036 342 V CB -0.730 30.981 31.823 -0.187 0.000 0.664 342 V HN 0.507 nan 8.190 nan 0.000 0.453 343 E N 0.340 120.527 120.200 -0.021 0.000 2.110 343 E HA -0.229 4.120 4.350 -0.000 0.000 0.193 343 E C 2.148 178.745 176.600 -0.005 0.000 0.988 343 E CA 1.174 57.568 56.400 -0.011 0.000 0.804 343 E CB -0.343 29.360 29.700 0.005 0.000 0.745 343 E HN 0.678 nan 8.360 nan 0.000 0.458 344 Q N -0.764 119.037 119.800 0.002 0.000 2.451 344 Q HA 0.107 4.447 4.340 -0.000 0.000 0.206 344 Q C 0.909 176.920 176.000 0.018 0.000 0.947 344 Q CA 0.570 56.380 55.803 0.012 0.000 0.937 344 Q CB 0.453 29.203 28.738 0.019 0.000 1.025 344 Q HN 0.436 nan 8.270 nan 0.000 0.511 345 G N -0.341 108.467 108.800 0.012 0.000 2.194 345 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 345 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 345 G C 0.860 175.795 174.900 0.058 0.000 0.987 345 G CA 0.296 45.411 45.100 0.025 0.000 0.635 345 G HN 0.243 nan 8.290 nan 0.000 0.520 346 V N 0.271 120.226 119.914 0.068 0.000 2.295 346 V HA 0.095 4.215 4.120 -0.000 0.000 0.246 346 V C 1.579 177.795 176.094 0.203 0.000 1.049 346 V CA 1.908 64.296 62.300 0.147 0.000 1.024 346 V CB -0.251 31.651 31.823 0.133 0.000 0.648 346 V HN 0.399 nan 8.190 nan 0.000 0.447 347 I N 0.912 121.493 120.570 0.017 0.000 2.331 347 I HA 0.174 4.344 4.170 -0.000 0.000 0.292 347 I C 1.465 177.571 176.117 -0.019 0.000 0.998 347 I CA 0.265 61.525 61.300 -0.066 0.000 1.267 347 I CB 0.937 38.759 38.000 -0.295 0.000 1.386 347 I HN 0.043 nan 8.210 nan 0.000 0.476 348 N N 4.885 123.611 118.700 0.044 0.000 2.104 348 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 348 N C -0.018 175.469 175.510 -0.039 0.000 1.024 348 N CA 1.318 54.383 53.050 0.025 0.000 0.853 348 N CB 0.214 38.737 38.487 0.060 0.000 1.008 348 N HN 0.875 nan 8.380 nan 0.000 0.424 349 N N -3.155 115.496 118.700 -0.081 0.000 2.825 349 N HA 0.071 4.811 4.740 -0.000 0.000 0.253 349 N C 0.200 175.565 175.510 -0.243 0.000 1.426 349 N CA -0.362 52.608 53.050 -0.132 0.000 0.851 349 N CB 0.880 39.332 38.487 -0.058 0.000 1.470 349 N HN -0.135 nan 8.380 nan 0.000 0.517 350 T N -2.902 111.446 114.554 -0.343 0.000 3.085 350 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 350 T C 1.321 175.944 174.700 -0.129 0.000 1.127 350 T CA 0.770 62.503 62.100 -0.612 0.000 1.103 350 T CB -0.398 68.022 68.868 -0.746 0.000 0.921 350 T HN 0.262 nan 8.240 nan 0.000 0.510 351 V N 1.300 121.234 119.914 0.035 0.000 2.302 351 V HA 0.007 4.127 4.120 -0.000 0.000 0.243 351 V C 2.474 178.735 176.094 0.278 0.000 1.036 351 V CA 1.270 63.708 62.300 0.229 0.000 1.020 351 V CB -0.827 31.121 31.823 0.208 0.000 0.657 351 V HN 0.415 nan 8.190 nan 0.000 0.453 352 L N 1.735 123.041 121.223 0.138 0.000 2.012 352 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 352 L C 2.305 179.213 176.870 0.063 0.000 1.073 352 L CA 2.588 57.490 54.840 0.103 0.000 0.748 352 L CB -1.402 40.672 42.059 0.025 0.000 0.891 352 L HN 0.280 nan 8.230 nan 0.000 0.431 353 G N -1.678 107.111 108.800 -0.018 0.000 2.446 353 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.217 353 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.217 353 G C 1.566 176.599 174.900 0.221 0.000 1.168 353 G CA 1.047 46.162 45.100 0.025 0.000 0.771 353 G HN 0.554 nan 8.290 nan 0.000 0.551 354 Y N 0.916 121.318 120.300 0.171 0.000 2.081 354 Y HA -0.161 4.389 4.550 -0.000 0.000 0.280 354 Y C 2.457 178.257 175.900 -0.167 0.000 1.163 354 Y CA 1.795 59.864 58.100 -0.053 0.000 1.135 354 Y CB -0.577 37.613 38.460 -0.449 0.000 0.970 354 Y HN 0.186 nan 8.280 nan 0.000 0.498 355 F N -0.253 119.658 119.950 -0.066 0.000 2.171 355 F HA -0.247 4.280 4.527 -0.000 0.000 0.300 355 F C 2.383 178.175 175.800 -0.014 0.000 1.090 355 F CA 1.110 59.079 58.000 -0.051 0.000 1.293 355 F CB -0.437 38.599 39.000 0.061 0.000 1.013 355 F HN 0.068 nan 8.300 nan 0.000 0.486 356 I N -0.041 120.565 120.570 0.060 0.000 2.151 356 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 356 I C 2.722 178.743 176.117 -0.159 0.000 1.080 356 I CA 1.943 63.147 61.300 -0.161 0.000 1.339 356 I CB -1.788 35.910 38.000 -0.504 0.000 1.039 356 I HN 0.215 nan 8.210 nan 0.000 0.409 357 G N 0.502 109.189 108.800 -0.188 0.000 2.408 357 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 357 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 357 G C 1.863 176.765 174.900 0.003 0.000 1.150 357 G CA 0.125 45.139 45.100 -0.142 0.000 0.776 357 G HN 0.234 nan 8.290 nan 0.000 0.542 358 R N -0.041 120.388 120.500 -0.119 0.000 2.075 358 R HA 0.091 4.431 4.340 -0.000 0.000 0.232 358 R C 2.599 179.191 176.300 0.487 0.000 1.126 358 R CA 0.639 56.752 56.100 0.020 0.000 0.963 358 R CB -0.556 29.578 30.300 -0.276 0.000 0.858 358 R HN 0.424 nan 8.270 nan 0.000 0.435 359 I N -0.146 120.793 120.570 0.617 0.000 2.179 359 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 359 I C 2.382 178.883 176.117 0.640 0.000 1.088 359 I CA 1.397 63.163 61.300 0.778 0.000 1.357 359 I CB -0.452 37.930 38.000 0.636 0.000 1.051 359 I HN 0.094 nan 8.210 nan 0.000 0.409 360 Y N 1.550 122.137 120.300 0.478 0.000 2.097 360 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 360 Y C 2.309 178.358 175.900 0.248 0.000 1.152 360 Y CA 1.736 60.086 58.100 0.418 0.000 1.136 360 Y CB -0.316 38.319 38.460 0.291 0.000 0.975 360 Y HN 0.005 nan 8.280 nan 0.000 0.498 361 L N -1.130 120.249 121.223 0.262 0.000 2.046 361 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 361 L C 2.366 179.185 176.870 -0.086 0.000 1.077 361 L CA 1.779 56.684 54.840 0.107 0.000 0.747 361 L CB -0.899 41.311 42.059 0.253 0.000 0.896 361 L HN 0.350 nan 8.230 nan 0.000 0.432 362 Y N 0.757 120.875 120.300 -0.305 0.000 2.145 362 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 362 Y C 2.320 178.134 175.900 -0.143 0.000 1.145 362 Y CA 1.536 59.322 58.100 -0.523 0.000 1.148 362 Y CB -0.256 38.012 38.460 -0.320 0.000 0.981 362 Y HN -0.018 nan 8.280 nan 0.000 0.507 363 L N -1.116 120.053 121.223 -0.091 0.000 2.046 363 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 363 L C 2.609 179.324 176.870 -0.258 0.000 1.077 363 L CA 1.932 56.673 54.840 -0.164 0.000 0.747 363 L CB -0.918 41.156 42.059 0.026 0.000 0.896 363 L HN 0.223 nan 8.230 nan 0.000 0.432 364 T N -0.543 113.840 114.554 -0.286 0.000 2.904 364 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 364 T C 1.919 176.507 174.700 -0.186 0.000 1.059 364 T CA 1.330 63.273 62.100 -0.262 0.000 1.137 364 T CB 0.051 68.653 68.868 -0.443 0.000 0.879 364 T HN 0.229 nan 8.240 nan 0.000 0.467 365 K N 0.129 120.395 120.400 -0.223 0.000 2.211 365 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 365 K C 1.834 178.316 176.600 -0.197 0.000 1.050 365 K CA 0.866 57.050 56.287 -0.171 0.000 0.945 365 K CB -0.166 32.234 32.500 -0.166 0.000 0.732 365 K HN 0.207 nan 8.250 nan 0.000 0.451 366 V N -0.396 119.323 119.914 -0.326 0.000 3.608 366 V HA 0.218 4.338 4.120 -0.000 0.000 0.269 366 V C 0.903 176.885 176.094 -0.187 0.000 1.245 366 V CA 1.043 63.153 62.300 -0.317 0.000 1.138 366 V CB 0.716 32.198 31.823 -0.570 0.000 0.841 366 V HN 0.707 nan 8.190 nan 0.000 0.451 367 G N -0.163 108.561 108.800 -0.125 0.000 2.273 367 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.162 367 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.162 367 G C 0.068 174.969 174.900 0.002 0.000 1.006 367 G CA -0.170 44.916 45.100 -0.022 0.000 0.704 367 G HN 0.267 nan 8.290 nan 0.000 0.487 368 I N 2.521 123.058 120.570 -0.054 0.000 2.634 368 I HA 0.296 4.466 4.170 -0.000 0.000 0.284 368 I C 0.702 176.905 176.117 0.144 0.000 1.124 368 I CA 0.153 61.467 61.300 0.023 0.000 1.417 368 I CB 1.017 38.975 38.000 -0.069 0.000 1.396 368 I HN 0.108 nan 8.210 nan 0.000 0.571 369 S N 8.107 124.022 115.700 0.359 0.000 2.499 369 S HA 0.204 4.674 4.470 -0.000 0.000 0.275 369 S C -1.528 173.162 174.600 0.151 0.000 1.257 369 S CA -1.001 57.289 58.200 0.150 0.000 1.050 369 S CB 1.113 64.298 63.200 -0.025 0.000 0.937 369 S HN 0.455 nan 8.310 nan 0.000 0.490 370 P HA -0.179 nan 4.420 nan 0.000 0.216 370 P C 1.208 178.688 177.300 0.300 0.000 1.150 370 P CA 1.097 64.366 63.100 0.282 0.000 0.843 370 P CB -0.010 31.885 31.700 0.325 0.000 0.787 371 D N -0.180 120.329 120.400 0.182 0.000 2.310 371 D HA -0.153 4.487 4.640 -0.000 0.000 0.212 371 D C 0.810 177.114 176.300 0.007 0.000 0.965 371 D CA 1.046 55.102 54.000 0.093 0.000 0.879 371 D CB -0.503 40.325 40.800 0.046 0.000 0.921 371 D HN 0.237 nan 8.370 nan 0.000 0.510 372 K N -0.309 120.109 120.400 0.030 0.000 2.699 372 K HA 0.287 4.607 4.320 -0.000 0.000 0.210 372 K C -0.690 176.050 176.600 0.234 0.000 1.076 372 K CA -0.451 55.831 56.287 -0.007 0.000 1.109 372 K CB 0.719 33.055 32.500 -0.272 0.000 0.862 372 K HN -0.004 nan 8.250 nan 0.000 0.470 373 L N 1.081 122.514 121.223 0.350 0.000 2.410 373 L HA 0.487 4.827 4.340 -0.000 0.000 0.270 373 L C -1.210 175.904 176.870 0.407 0.000 0.983 373 L CA -0.507 54.565 54.840 0.387 0.000 0.822 373 L CB 1.265 43.508 42.059 0.306 0.000 1.285 373 L HN 0.201 nan 8.230 nan 0.000 0.409 374 R N 2.749 123.412 120.500 0.271 0.000 2.739 374 R HA 0.641 4.981 4.340 -0.000 0.000 0.271 374 R C -1.941 174.388 176.300 0.049 0.000 1.010 374 R CA -0.716 55.503 56.100 0.197 0.000 0.897 374 R CB 1.240 31.464 30.300 -0.127 0.000 1.236 374 R HN 0.371 nan 8.270 nan 0.000 0.466 375 F N 0.929 121.056 119.950 0.296 0.000 2.426 375 F HA 0.509 5.036 4.527 -0.000 0.000 0.348 375 F C 0.353 176.461 175.800 0.513 0.000 1.124 375 F CA -0.666 57.574 58.000 0.400 0.000 1.008 375 F CB 1.930 41.164 39.000 0.390 0.000 1.139 375 F HN 0.356 nan 8.300 nan 0.000 0.452 376 R N 3.332 124.115 120.500 0.472 0.000 2.295 376 R HA 0.301 4.641 4.340 -0.000 0.000 0.324 376 R C -0.513 175.745 176.300 -0.070 0.000 0.968 376 R CA -0.616 55.619 56.100 0.225 0.000 0.837 376 R CB 1.150 31.546 30.300 0.160 0.000 1.133 376 R HN 0.761 nan 8.270 nan 0.000 0.450 377 Q N 2.970 122.357 119.800 -0.687 0.000 2.327 377 Q HA 0.063 4.403 4.340 -0.000 0.000 0.254 377 Q C -0.662 175.096 176.000 -0.404 0.000 0.952 377 Q CA -0.219 54.931 55.803 -1.089 0.000 0.884 377 Q CB 0.721 28.513 28.738 -1.576 0.000 1.224 377 Q HN 0.648 nan 8.270 nan 0.000 0.422 378 H N 2.926 121.735 119.070 -0.436 0.000 2.707 378 H HA 0.103 4.659 4.556 -0.000 0.000 0.359 378 H C 0.363 175.543 175.328 -0.246 0.000 1.113 378 H CA -0.416 55.477 56.048 -0.257 0.000 1.422 378 H CB 0.731 30.393 29.762 -0.166 0.000 1.443 378 H HN 0.518 nan 8.280 nan 0.000 0.591 379 M N 1.407 120.937 119.600 -0.116 0.000 2.114 379 M HA 0.010 4.490 4.480 -0.000 0.000 0.293 379 M C 1.452 177.715 176.300 -0.063 0.000 1.201 379 M CA 0.203 55.432 55.300 -0.117 0.000 1.107 379 M CB 0.449 32.971 32.600 -0.131 0.000 1.405 379 M HN 0.691 nan 8.290 nan 0.000 0.486 380 E N 0.914 121.077 120.200 -0.061 0.000 2.107 380 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 380 E C 1.453 178.035 176.600 -0.030 0.000 0.982 380 E CA 1.143 57.521 56.400 -0.037 0.000 0.809 380 E CB -0.186 29.491 29.700 -0.037 0.000 0.756 380 E HN 0.660 nan 8.360 nan 0.000 0.459 381 N N 1.418 120.090 118.700 -0.047 0.000 2.364 381 N HA -0.211 4.529 4.740 -0.000 0.000 0.183 381 N C 1.246 176.732 175.510 -0.039 0.000 1.022 381 N CA 0.926 53.947 53.050 -0.049 0.000 0.883 381 N CB -0.184 38.260 38.487 -0.073 0.000 0.965 381 N HN 0.322 nan 8.380 nan 0.000 0.438 382 E N 1.265 121.444 120.200 -0.035 0.000 2.107 382 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 382 E C 1.118 177.737 176.600 0.031 0.000 0.982 382 E CA 0.312 56.701 56.400 -0.018 0.000 0.809 382 E CB -0.274 29.395 29.700 -0.052 0.000 0.756 382 E HN 0.486 nan 8.360 nan 0.000 0.459 387 A N 0.810 123.671 122.820 0.068 0.000 2.450 387 A HA 0.921 5.241 4.320 -0.000 0.000 0.281 387 A C 0.271 177.871 177.584 0.027 0.000 1.372 387 A CA 0.206 52.268 52.037 0.043 0.000 0.886 387 A CB 0.578 19.587 19.000 0.014 0.000 1.462 387 A HN 1.231 nan 8.150 nan 0.000 0.514 388 C N -2.195 117.107 119.300 0.004 0.000 3.303 388 C HA 0.633 5.093 4.460 -0.000 0.000 0.340 388 C C -1.532 173.438 174.990 -0.032 0.000 1.274 388 C CA -0.796 58.213 59.018 -0.015 0.000 1.234 388 C CB 0.707 28.429 27.740 -0.030 0.000 1.532 388 C HN 0.854 nan 8.230 nan 0.000 0.483 389 D N 1.378 121.768 120.400 -0.017 0.000 2.428 389 D HA 0.448 5.088 4.640 -0.000 0.000 0.221 389 D C -0.455 175.841 176.300 -0.007 0.000 1.123 389 D CA 0.168 54.168 54.000 0.000 0.000 0.869 389 D CB 0.771 41.617 40.800 0.077 0.000 1.032 389 D HN 0.892 nan 8.370 nan 0.000 0.506 390 C N 5.707 124.910 119.300 -0.161 0.000 2.379 390 C HA 0.701 5.161 4.460 -0.000 0.000 0.323 390 C C -1.196 173.624 174.990 -0.284 0.000 1.262 390 C CA -0.668 58.192 59.018 -0.264 0.000 1.581 390 C CB -0.573 26.758 27.740 -0.683 0.000 2.221 390 C HN 0.649 nan 8.230 nan 0.000 0.497 391 W N 4.591 125.851 121.300 -0.067 0.000 2.471 391 W HA 0.429 5.089 4.660 -0.000 0.000 0.318 391 W C -0.582 176.012 176.519 0.126 0.000 1.034 391 W CA -0.258 57.144 57.345 0.095 0.000 1.224 391 W CB 1.111 30.667 29.460 0.160 0.000 1.335 391 W HN 0.565 nan 8.180 nan 0.000 0.452 392 D N 2.311 122.919 120.400 0.347 0.000 2.233 392 D HA 0.432 5.072 4.640 -0.000 0.000 0.240 392 D C -0.101 176.286 176.300 0.146 0.000 1.074 392 D CA -0.331 53.805 54.000 0.227 0.000 0.838 392 D CB 1.638 42.561 40.800 0.205 0.000 1.124 392 D HN 0.376 nan 8.370 nan 0.000 0.475 393 A N 3.130 125.927 122.820 -0.038 0.000 2.492 393 A HA 0.260 4.580 4.320 -0.000 0.000 0.254 393 A C 0.204 177.705 177.584 -0.138 0.000 1.091 393 A CA 0.064 51.856 52.037 -0.408 0.000 0.768 393 A CB 0.201 18.962 19.000 -0.397 0.000 1.028 393 A HN 0.500 nan 8.150 nan 0.000 0.498 394 E N 1.469 121.626 120.200 -0.071 0.000 2.248 394 E HA 0.494 4.844 4.350 -0.000 0.000 0.267 394 E C -0.782 176.029 176.600 0.351 0.000 0.877 394 E CA -0.651 55.846 56.400 0.161 0.000 0.759 394 E CB 2.069 31.903 29.700 0.223 0.000 1.182 394 E HN 0.710 nan 8.360 nan 0.000 0.418 395 S N 2.140 118.016 115.700 0.294 0.000 2.537 395 S HA 0.416 4.886 4.470 -0.000 0.000 0.301 395 S C -0.238 174.313 174.600 -0.082 0.000 1.092 395 S CA -1.081 57.226 58.200 0.178 0.000 1.048 395 S CB 1.829 65.026 63.200 -0.004 0.000 1.053 395 S HN 0.247 nan 8.310 nan 0.000 0.501 396 K N 2.534 122.601 120.400 -0.555 0.000 2.285 396 K HA 0.362 4.682 4.320 -0.000 0.000 0.286 396 K C 0.113 176.536 176.600 -0.295 0.000 1.072 396 K CA 0.117 55.792 56.287 -1.020 0.000 0.913 396 K CB 0.656 32.344 32.500 -1.354 0.000 1.067 396 K HN 1.013 nan 8.250 nan 0.000 0.479 397 T N -1.387 113.043 114.554 -0.207 0.000 2.773 397 T HA 0.199 4.549 4.350 -0.000 0.000 0.278 397 T C 1.261 175.944 174.700 -0.029 0.000 1.011 397 T CA -0.307 61.797 62.100 0.006 0.000 1.014 397 T CB 0.978 69.959 68.868 0.189 0.000 1.293 397 T HN 0.304 nan 8.240 nan 0.000 0.554 398 S N -0.783 114.925 115.700 0.013 0.000 2.474 398 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 398 S C 1.086 175.569 174.600 -0.196 0.000 0.997 398 S CA 0.415 58.543 58.200 -0.120 0.000 0.949 398 S CB -1.019 62.073 63.200 -0.179 0.000 0.766 398 S HN 0.705 nan 8.310 nan 0.000 0.517 399 Y N 2.675 122.990 120.300 0.025 0.000 2.471 399 Y HA 0.435 4.985 4.550 -0.000 0.000 0.286 399 Y C 1.720 177.614 175.900 -0.009 0.000 1.188 399 Y CA 0.022 58.127 58.100 0.009 0.000 1.286 399 Y CB -0.390 38.077 38.460 0.013 0.000 1.072 399 Y HN 0.551 nan 8.280 nan 0.000 0.517 400 G N -0.537 108.294 108.800 0.053 0.000 2.660 400 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 400 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 400 G C -0.919 173.951 174.900 -0.049 0.000 1.345 400 G CA -1.007 44.083 45.100 -0.017 0.000 0.877 400 G HN 0.247 nan 8.290 nan 0.000 0.549 401 W N 0.696 122.025 121.300 0.050 0.000 2.381 401 W HA 0.523 5.183 4.660 -0.000 0.000 0.321 401 W C 1.179 177.722 176.519 0.040 0.000 1.407 401 W CA 0.419 57.788 57.345 0.039 0.000 1.274 401 W CB 0.261 29.732 29.460 0.017 0.000 1.310 401 W HN 0.572 nan 8.180 nan 0.000 0.551 402 I N 0.632 121.355 120.570 0.255 0.000 2.608 402 I HA 0.487 4.657 4.170 -0.000 0.000 0.295 402 I C -0.306 175.883 176.117 0.120 0.000 1.049 402 I CA -1.575 59.810 61.300 0.142 0.000 1.063 402 I CB 1.928 39.967 38.000 0.065 0.000 1.248 402 I HN 0.483 nan 8.210 nan 0.000 0.424 403 E N 5.814 126.057 120.200 0.073 0.000 2.344 403 E HA 0.286 4.636 4.350 -0.000 0.000 0.270 403 E C 0.249 176.848 176.600 -0.002 0.000 1.021 403 E CA -0.471 55.955 56.400 0.044 0.000 0.887 403 E CB 1.533 31.260 29.700 0.045 0.000 0.997 403 E HN 0.869 nan 8.360 nan 0.000 0.429 404 I N -0.300 120.260 120.570 -0.017 0.000 4.624 404 I HA 0.265 4.435 4.170 -0.000 0.000 0.327 404 I C -0.519 175.561 176.117 -0.062 0.000 1.295 404 I CA -0.490 60.789 61.300 -0.035 0.000 1.267 404 I CB 0.941 38.929 38.000 -0.021 0.000 1.249 404 I HN 0.265 nan 8.210 nan 0.000 0.440 405 V N 2.412 122.263 119.914 -0.105 0.000 2.612 405 V HA 0.696 4.816 4.120 -0.000 0.000 0.301 405 V C 0.315 176.315 176.094 -0.155 0.000 1.059 405 V CA -0.547 61.603 62.300 -0.250 0.000 0.886 405 V CB 1.336 32.906 31.823 -0.423 0.000 1.007 405 V HN 0.311 nan 8.190 nan 0.000 0.426 406 G N 1.500 110.211 108.800 -0.149 0.000 2.448 406 G HA2 0.483 4.443 3.960 -0.000 0.000 0.285 406 G HA3 0.483 4.443 3.960 -0.000 0.000 0.285 406 G C -0.588 174.259 174.900 -0.088 0.000 1.176 406 G CA -0.333 44.730 45.100 -0.061 0.000 0.852 406 G HN 0.879 nan 8.290 nan 0.000 0.530 407 C N 2.104 121.400 119.300 -0.007 0.000 3.078 407 C HA 0.704 5.164 4.460 -0.000 0.000 0.320 407 C C 0.400 175.397 174.990 0.011 0.000 1.039 407 C CA -0.439 58.580 59.018 0.001 0.000 1.386 407 C CB -0.996 26.799 27.740 0.093 0.000 1.836 407 C HN 1.020 nan 8.230 nan 0.000 0.514 408 A N 3.520 126.305 122.820 -0.059 0.000 2.306 408 A HA 0.679 4.999 4.320 -0.000 0.000 0.314 408 A C -0.571 176.974 177.584 -0.066 0.000 1.164 408 A CA -0.071 51.923 52.037 -0.071 0.000 0.822 408 A CB 0.636 19.579 19.000 -0.096 0.000 1.130 408 A HN 0.780 nan 8.150 nan 0.000 0.496 409 D N 1.393 121.773 120.400 -0.033 0.000 2.381 409 D HA 0.453 5.093 4.640 -0.000 0.000 0.235 409 D C -0.395 175.876 176.300 -0.048 0.000 1.068 409 D CA -0.121 53.859 54.000 -0.033 0.000 0.832 409 D CB 0.566 41.383 40.800 0.028 0.000 1.101 409 D HN 0.531 nan 8.370 nan 0.000 0.515 410 R N 2.231 122.673 120.500 -0.097 0.000 2.750 410 R HA 0.475 4.815 4.340 -0.000 0.000 0.281 410 R C 0.316 176.618 176.300 0.003 0.000 0.972 410 R CA -0.774 55.283 56.100 -0.072 0.000 0.912 410 R CB 1.958 32.156 30.300 -0.170 0.000 1.187 410 R HN 0.241 nan 8.270 nan 0.000 0.464 411 S N -0.037 115.715 115.700 0.087 0.000 2.620 411 S HA 0.113 4.583 4.470 -0.000 0.000 0.234 411 S C 0.329 175.039 174.600 0.183 0.000 1.064 411 S CA 0.171 58.444 58.200 0.121 0.000 0.920 411 S CB 0.522 63.736 63.200 0.024 0.000 0.826 411 S HN 0.581 nan 8.310 nan 0.000 0.557 412 C N 2.683 122.016 119.300 0.056 0.000 2.303 412 C HA 0.854 5.314 4.460 -0.000 0.000 0.326 412 C C -0.182 174.928 174.990 0.199 0.000 1.285 412 C CA -0.948 58.004 59.018 -0.110 0.000 1.675 412 C CB -1.011 26.357 27.740 -0.620 0.000 2.289 412 C HN 0.727 nan 8.230 nan 0.000 0.512 413 Y N -0.536 119.827 120.300 0.106 0.000 2.982 413 Y HA 0.374 4.924 4.550 -0.000 0.000 0.312 413 Y C 0.638 176.493 175.900 -0.074 0.000 1.601 413 Y CA -0.862 57.305 58.100 0.113 0.000 1.092 413 Y CB -0.030 38.412 38.460 -0.029 0.000 1.918 413 Y HN 0.366 nan 8.280 nan 0.000 0.425 414 D N 0.433 120.739 120.400 -0.157 0.000 2.178 414 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 414 D C 1.892 177.912 176.300 -0.466 0.000 0.980 414 D CA 1.675 55.478 54.000 -0.329 0.000 0.842 414 D CB 0.194 40.925 40.800 -0.115 0.000 0.948 414 D HN 0.455 nan 8.370 nan 0.000 0.472 415 L N 1.278 122.041 121.223 -0.767 0.000 2.081 415 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 415 L C 2.262 178.898 176.870 -0.390 0.000 1.080 415 L CA 1.550 56.047 54.840 -0.571 0.000 0.754 415 L CB -0.361 41.211 42.059 -0.811 0.000 0.893 415 L HN -0.157 nan 8.230 nan 0.000 0.433 416 S N -2.137 113.297 115.700 -0.442 0.000 2.414 416 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 416 S C 2.014 176.508 174.600 -0.176 0.000 1.022 416 S CA 1.029 59.074 58.200 -0.258 0.000 0.958 416 S CB -0.533 62.539 63.200 -0.213 0.000 0.797 416 S HN 0.593 nan 8.310 nan 0.000 0.493 417 C N 1.270 120.431 119.300 -0.232 0.000 2.453 417 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 417 C C 2.559 177.430 174.990 -0.199 0.000 1.262 417 C CA 0.391 59.261 59.018 -0.246 0.000 1.718 417 C CB -1.407 26.108 27.740 -0.374 0.000 2.031 417 C HN 0.605 nan 8.230 nan 0.000 0.480 418 H N 0.953 119.975 119.070 -0.080 0.000 2.387 418 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 418 H C 2.405 177.712 175.328 -0.035 0.000 1.090 418 H CA 1.752 57.780 56.048 -0.033 0.000 1.332 418 H CB -0.767 28.997 29.762 0.002 0.000 1.386 418 H HN 0.518 nan 8.280 nan 0.000 0.516 419 A N 1.978 124.824 122.820 0.044 0.000 1.851 419 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 419 A C 2.532 180.118 177.584 0.003 0.000 1.195 419 A CA 2.235 54.277 52.037 0.008 0.000 0.622 419 A CB -0.480 18.491 19.000 -0.048 0.000 0.831 419 A HN 0.572 nan 8.150 nan 0.000 0.444 420 R N -0.681 119.807 120.500 -0.020 0.000 2.148 420 R HA 0.237 4.577 4.340 -0.000 0.000 0.223 420 R C 2.111 178.408 176.300 -0.005 0.000 1.088 420 R CA 1.212 57.302 56.100 -0.016 0.000 0.985 420 R CB -0.587 29.695 30.300 -0.029 0.000 0.880 420 R HN 0.318 nan 8.270 nan 0.000 0.451 421 A N 1.580 124.400 122.820 0.000 0.000 1.940 421 A HA -0.164 4.155 4.320 -0.000 0.000 0.219 421 A C 2.204 179.808 177.584 0.034 0.000 1.176 421 A CA 1.972 54.020 52.037 0.018 0.000 0.631 421 A CB -0.703 18.320 19.000 0.038 0.000 0.814 421 A HN 0.617 nan 8.150 nan 0.000 0.446 422 T N -4.850 109.731 114.554 0.044 0.000 3.023 422 T HA 0.251 4.601 4.350 -0.000 0.000 0.253 422 T C 0.579 175.295 174.700 0.027 0.000 1.038 422 T CA 0.535 62.660 62.100 0.040 0.000 0.962 422 T CB -0.150 68.750 68.868 0.053 0.000 1.018 422 T HN 0.512 nan 8.240 nan 0.000 0.521 423 K N 0.376 120.788 120.400 0.019 0.000 3.160 423 K HA -0.111 4.209 4.320 -0.000 0.000 0.280 423 K C -0.768 175.842 176.600 0.016 0.000 1.154 423 K CA 0.371 56.666 56.287 0.013 0.000 0.822 423 K CB -2.314 30.192 32.500 0.010 0.000 1.239 423 K HN 0.415 nan 8.250 nan 0.000 0.489 424 V N 1.599 121.527 119.914 0.024 0.000 2.357 424 V HA 0.252 4.372 4.120 -0.000 0.000 0.284 424 V C -1.833 174.279 176.094 0.031 0.000 1.018 424 V CA -1.722 60.595 62.300 0.029 0.000 0.841 424 V CB 1.348 33.194 31.823 0.039 0.000 0.991 424 V HN -0.002 nan 8.190 nan 0.000 0.437 425 P HA 0.184 nan 4.420 nan 0.000 0.270 425 P C -0.523 176.809 177.300 0.052 0.000 1.242 425 P CA 0.119 63.233 63.100 0.024 0.000 0.768 425 P CB 0.623 32.336 31.700 0.022 0.000 0.820 426 L N 5.113 126.349 121.223 0.023 0.000 2.589 426 L HA 0.306 4.646 4.340 -0.000 0.000 0.244 426 L C 0.606 177.435 176.870 -0.068 0.000 1.159 426 L CA -0.658 54.205 54.840 0.039 0.000 1.074 426 L CB 0.406 42.434 42.059 -0.051 0.000 1.391 426 L HN 0.210 nan 8.230 nan 0.000 0.423 427 V N -1.765 118.207 119.914 0.096 0.000 3.130 427 V HA 0.954 5.074 4.120 -0.000 0.000 0.310 427 V C -0.196 176.039 176.094 0.234 0.000 1.158 427 V CA -0.828 61.523 62.300 0.086 0.000 1.029 427 V CB 1.874 33.712 31.823 0.025 0.000 1.057 427 V HN 0.305 nan 8.190 nan 0.000 0.436 428 A N 0.999 123.944 122.820 0.207 0.000 2.306 428 A HA 0.819 5.139 4.320 -0.000 0.000 0.330 428 A C -0.293 177.361 177.584 0.115 0.000 1.146 428 A CA -0.540 51.615 52.037 0.197 0.000 0.827 428 A CB 1.259 20.403 19.000 0.239 0.000 1.178 428 A HN 1.086 nan 8.150 nan 0.000 0.490 429 E N 1.413 121.670 120.200 0.094 0.000 2.182 429 E HA 0.333 4.683 4.350 -0.000 0.000 0.258 429 E C -0.849 175.802 176.600 0.085 0.000 0.879 429 E CA -0.533 55.909 56.400 0.069 0.000 0.754 429 E CB 0.591 30.320 29.700 0.049 0.000 1.162 429 E HN 0.597 nan 8.360 nan 0.000 0.419 430 K N 4.810 125.276 120.400 0.110 0.000 2.316 430 K HA 0.522 4.842 4.320 -0.000 0.000 0.267 430 K C -2.672 174.084 176.600 0.259 0.000 1.025 430 K CA -1.814 54.570 56.287 0.161 0.000 0.896 430 K CB 1.837 34.447 32.500 0.182 0.000 1.124 430 K HN 0.163 nan 8.250 nan 0.000 0.451 513 V N 2.995 122.774 119.914 -0.224 0.000 2.637 513 V HA 0.474 4.594 4.120 -0.000 0.000 0.274 513 V C -0.852 175.101 176.094 -0.236 0.000 1.004 513 V CA -0.772 61.453 62.300 -0.126 0.000 0.894 513 V CB 1.408 33.205 31.823 -0.043 0.000 1.046 513 V HN 0.769 nan 8.190 nan 0.000 0.467 514 E N 2.839 122.891 120.200 -0.246 0.000 2.216 514 E HA 0.375 4.725 4.350 -0.000 0.000 0.279 514 E C -0.324 176.244 176.600 -0.053 0.000 0.997 514 E CA -0.576 55.708 56.400 -0.194 0.000 0.817 514 E CB 1.619 31.203 29.700 -0.193 0.000 1.096 514 E HN 0.870 nan 8.360 nan 0.000 0.393 515 E N 3.795 123.968 120.200 -0.046 0.000 2.217 515 E HA 0.160 4.510 4.350 -0.000 0.000 0.279 515 E C -1.224 175.381 176.600 0.009 0.000 1.068 515 E CA -0.461 55.933 56.400 -0.010 0.000 0.882 515 E CB 0.818 30.505 29.700 -0.022 0.000 1.039 515 E HN 0.213 nan 8.360 nan 0.000 0.418 516 V N 5.941 125.879 119.914 0.041 0.000 2.357 516 V HA 0.172 4.292 4.120 -0.000 0.000 0.284 516 V C -0.016 176.109 176.094 0.052 0.000 1.018 516 V CA -0.932 61.404 62.300 0.060 0.000 0.841 516 V CB 1.186 33.069 31.823 0.099 0.000 0.991 516 V HN 0.556 nan 8.190 nan 0.000 0.437 517 V N 4.133 124.059 119.914 0.020 0.000 2.320 517 V HA 0.488 4.608 4.120 -0.000 0.000 0.265 517 V C -2.224 173.899 176.094 0.048 0.000 1.048 517 V CA -2.109 60.178 62.300 -0.022 0.000 0.865 517 V CB 0.301 32.079 31.823 -0.076 0.000 1.043 517 V HN 0.667 nan 8.190 nan 0.000 0.474 518 P HA 0.290 nan 4.420 nan 0.000 0.272 518 P C -0.291 177.188 177.300 0.298 0.000 1.223 518 P CA -0.117 63.116 63.100 0.221 0.000 0.784 518 P CB 0.561 32.460 31.700 0.332 0.000 0.923 519 N N -0.131 118.704 118.700 0.225 0.000 2.408 519 N HA 0.430 5.170 4.740 -0.000 0.000 0.260 519 N C -0.783 174.780 175.510 0.088 0.000 1.242 519 N CA -0.413 52.740 53.050 0.170 0.000 0.959 519 N CB 0.391 38.937 38.487 0.098 0.000 1.201 519 N HN 0.184 nan 8.380 nan 0.000 0.511 520 V N -1.568 118.269 119.914 -0.129 0.000 2.760 520 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 520 V C -0.769 175.203 176.094 -0.204 0.000 1.077 520 V CA -0.963 61.178 62.300 -0.264 0.000 0.910 520 V CB 1.851 33.352 31.823 -0.537 0.000 1.008 520 V HN 0.308 nan 8.190 nan 0.000 0.424 521 I N 2.941 123.408 120.570 -0.173 0.000 2.336 521 I HA 0.517 4.687 4.170 -0.000 0.000 0.292 521 I C 0.247 176.178 176.117 -0.310 0.000 0.991 521 I CA -0.263 60.911 61.300 -0.210 0.000 1.227 521 I CB 1.278 39.137 38.000 -0.234 0.000 1.366 521 I HN 0.866 nan 8.210 nan 0.000 0.466 522 E N 7.084 127.139 120.200 -0.241 0.000 2.916 522 E HA 0.293 4.643 4.350 -0.000 0.000 0.217 522 E C -2.452 174.045 176.600 -0.171 0.000 1.100 522 E CA -1.679 54.595 56.400 -0.210 0.000 0.891 522 E CB 0.843 30.455 29.700 -0.147 0.000 1.311 522 E HN 0.324 nan 8.360 nan 0.000 0.421 523 P HA -0.029 nan 4.420 nan 0.000 0.266 523 P C -0.572 176.675 177.300 -0.089 0.000 1.215 523 P CA 0.183 63.187 63.100 -0.160 0.000 0.763 523 P CB 0.842 32.520 31.700 -0.036 0.000 0.806 524 S N 3.796 119.357 115.700 -0.233 0.000 2.707 524 S HA 0.599 5.069 4.470 -0.000 0.000 0.312 524 S C -1.257 173.212 174.600 -0.219 0.000 1.116 524 S CA -0.592 57.546 58.200 -0.104 0.000 1.078 524 S CB -0.269 62.890 63.200 -0.068 0.000 0.997 524 S HN 0.059 nan 8.310 nan 0.000 0.477 525 F N 2.795 122.673 119.950 -0.120 0.000 2.411 525 F HA 0.495 5.022 4.527 -0.000 0.000 0.352 525 F C 1.121 176.828 175.800 -0.155 0.000 1.123 525 F CA -0.812 57.109 58.000 -0.131 0.000 1.044 525 F CB 1.548 40.404 39.000 -0.240 0.000 1.135 525 F HN 0.649 nan 8.300 nan 0.000 0.461 526 G N 4.787 113.598 108.800 0.019 0.000 2.663 526 G HA2 0.351 4.311 3.960 -0.000 0.000 0.320 526 G HA3 0.351 4.311 3.960 -0.000 0.000 0.320 526 G C 0.893 175.770 174.900 -0.037 0.000 0.937 526 G CA -0.335 44.737 45.100 -0.046 0.000 1.332 526 G HN 0.785 nan 8.290 nan 0.000 0.461 527 L N 2.390 123.579 121.223 -0.057 0.000 2.012 527 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 527 L C 3.067 179.875 176.870 -0.103 0.000 1.073 527 L CA 1.560 56.349 54.840 -0.086 0.000 0.748 527 L CB -0.396 41.569 42.059 -0.157 0.000 0.891 527 L HN 0.551 nan 8.230 nan 0.000 0.431 528 G N -0.190 108.553 108.800 -0.096 0.000 2.446 528 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 528 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 528 G C 1.746 176.588 174.900 -0.098 0.000 1.168 528 G CA 0.586 45.635 45.100 -0.085 0.000 0.771 528 G HN 0.298 nan 8.290 nan 0.000 0.551 529 R N -0.241 120.198 120.500 -0.101 0.000 2.115 529 R HA 0.084 4.424 4.340 -0.000 0.000 0.230 529 R C 2.590 178.846 176.300 -0.073 0.000 1.111 529 R CA 0.870 56.922 56.100 -0.080 0.000 0.976 529 R CB -0.346 29.896 30.300 -0.096 0.000 0.870 529 R HN 0.400 nan 8.270 nan 0.000 0.445 530 I N 0.489 121.010 120.570 -0.081 0.000 2.226 530 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 530 I C 2.644 178.626 176.117 -0.225 0.000 1.100 530 I CA 1.290 62.531 61.300 -0.098 0.000 1.374 530 I CB -0.156 37.849 38.000 0.008 0.000 1.057 530 I HN 0.198 nan 8.210 nan 0.000 0.413 531 M N -0.376 119.058 119.600 -0.277 0.000 2.086 531 M HA -0.288 4.192 4.480 -0.000 0.000 0.261 531 M C 2.487 178.302 176.300 -0.809 0.000 1.067 531 M CA 1.972 56.945 55.300 -0.545 0.000 1.116 531 M CB -0.316 32.022 32.600 -0.436 0.000 1.348 531 M HN 0.207 nan 8.290 nan 0.000 0.407 532 Y N 0.661 120.659 120.300 -0.503 0.000 2.207 532 Y HA -0.249 4.301 4.550 -0.000 0.000 0.287 532 Y C 2.160 177.948 175.900 -0.187 0.000 1.156 532 Y CA 2.268 60.219 58.100 -0.248 0.000 1.182 532 Y CB -0.651 37.748 38.460 -0.103 0.000 0.979 532 Y HN 0.244 nan 8.280 nan 0.000 0.521 533 T N -0.674 113.719 114.554 -0.268 0.000 2.777 533 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 533 T C 2.093 176.504 174.700 -0.483 0.000 1.040 533 T CA 1.543 63.403 62.100 -0.400 0.000 1.141 533 T CB -0.735 67.890 68.868 -0.405 0.000 0.868 533 T HN 0.184 nan 8.240 nan 0.000 0.444 534 V N 1.245 120.913 119.914 -0.409 0.000 2.332 534 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 534 V C 2.212 178.286 176.094 -0.033 0.000 1.055 534 V CA 1.603 63.759 62.300 -0.240 0.000 1.038 534 V CB -0.870 30.782 31.823 -0.284 0.000 0.651 534 V HN 0.351 nan 8.190 nan 0.000 0.450 535 F N 0.709 120.578 119.950 -0.135 0.000 2.069 535 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 535 F C 2.553 178.331 175.800 -0.037 0.000 1.113 535 F CA 1.356 59.288 58.000 -0.113 0.000 1.214 535 F CB -1.054 37.756 39.000 -0.316 0.000 0.978 535 F HN 0.237 nan 8.300 nan 0.000 0.474 536 E N -1.084 119.081 120.200 -0.058 0.000 2.150 536 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 536 E C 1.961 178.635 176.600 0.122 0.000 0.985 536 E CA 1.154 57.539 56.400 -0.025 0.000 0.814 536 E CB -0.376 29.268 29.700 -0.093 0.000 0.752 536 E HN 0.634 nan 8.360 nan 0.000 0.466 537 H N -0.645 118.378 119.070 -0.077 0.000 2.512 537 H HA 0.012 4.568 4.556 -0.000 0.000 0.279 537 H C 2.025 177.288 175.328 -0.108 0.000 0.999 537 H CA 1.329 57.329 56.048 -0.081 0.000 1.283 537 H CB 0.511 30.238 29.762 -0.058 0.000 1.421 537 H HN 0.175 nan 8.280 nan 0.000 0.554 538 T N -2.326 112.259 114.554 0.052 0.000 3.023 538 T HA 0.015 4.365 4.350 -0.000 0.000 0.253 538 T C 0.341 174.769 174.700 -0.454 0.000 1.038 538 T CA -0.468 61.573 62.100 -0.098 0.000 0.962 538 T CB -0.503 68.433 68.868 0.113 0.000 1.018 538 T HN 0.079 nan 8.240 nan 0.000 0.521 539 F N 4.084 123.738 119.950 -0.494 0.000 2.543 539 F HA 0.334 4.861 4.527 -0.000 0.000 0.375 539 F C 0.243 175.400 175.800 -1.071 0.000 1.075 539 F CA -0.133 57.373 58.000 -0.823 0.000 1.225 539 F CB 0.277 38.962 39.000 -0.525 0.000 1.099 539 F HN 0.223 nan 8.300 nan 0.000 0.561 540 H N 4.142 122.367 119.070 -1.408 0.000 2.865 540 H HA 0.510 5.066 4.556 -0.000 0.000 0.372 540 H C -1.120 173.528 175.328 -1.134 0.000 1.173 540 H CA -0.876 54.475 56.048 -1.160 0.000 1.147 540 H CB 1.905 30.968 29.762 -1.166 0.000 1.805 540 H HN 0.313 nan 8.280 nan 0.000 0.553 541 V N 2.953 122.579 119.914 -0.481 0.000 2.409 541 V HA 0.249 4.369 4.120 -0.000 0.000 0.291 541 V C 0.551 176.607 176.094 -0.064 0.000 1.020 541 V CA -0.932 61.189 62.300 -0.299 0.000 0.848 541 V CB 1.418 33.097 31.823 -0.239 0.000 0.990 541 V HN 0.525 nan 8.190 nan 0.000 0.430 542 R N 2.480 122.990 120.500 0.015 0.000 2.734 542 R HA 0.115 4.455 4.340 -0.000 0.000 0.266 542 R C 0.448 176.734 176.300 -0.023 0.000 1.044 542 R CA -0.163 55.950 56.100 0.021 0.000 1.128 542 R CB 0.579 30.866 30.300 -0.021 0.000 1.010 542 R HN 0.788 nan 8.270 nan 0.000 0.461 543 E N 1.091 121.272 120.200 -0.032 0.000 1.858 543 E HA 0.246 4.596 4.350 -0.000 0.000 0.267 543 E C -0.464 176.116 176.600 -0.033 0.000 1.215 543 E CA -0.185 56.194 56.400 -0.034 0.000 0.952 543 E CB 0.134 29.812 29.700 -0.037 0.000 1.058 543 E HN 0.703 nan 8.360 nan 0.000 0.407 544 G N 3.171 111.955 108.800 -0.028 0.000 2.550 544 G HA2 0.056 4.016 3.960 -0.000 0.000 0.293 544 G HA3 0.056 4.016 3.960 -0.000 0.000 0.293 544 G C -0.462 174.427 174.900 -0.019 0.000 1.402 544 G CA -0.575 44.511 45.100 -0.024 0.000 0.784 544 G HN 0.362 nan 8.290 nan 0.000 0.482 545 D N -0.590 119.802 120.400 -0.014 0.000 2.194 545 D HA -0.001 4.639 4.640 -0.000 0.000 0.204 545 D C 1.777 178.072 176.300 -0.009 0.000 0.964 545 D CA 0.903 54.897 54.000 -0.011 0.000 0.846 545 D CB 0.422 41.217 40.800 -0.008 0.000 0.962 545 D HN 0.510 nan 8.370 nan 0.000 0.490 546 E N 0.532 120.727 120.200 -0.008 0.000 2.418 546 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 546 E C -0.141 176.456 176.600 -0.005 0.000 1.026 546 E CA 0.202 56.600 56.400 -0.004 0.000 0.862 546 E CB 0.128 29.827 29.700 -0.001 0.000 0.799 546 E HN 0.063 nan 8.360 nan 0.000 0.518 547 Q N 0.513 120.306 119.800 -0.012 0.000 2.452 547 Q HA -0.219 4.121 4.340 -0.000 0.000 0.318 547 Q C -0.755 175.235 176.000 -0.016 0.000 1.386 547 Q CA 0.822 56.614 55.803 -0.017 0.000 0.872 547 Q CB -1.770 26.962 28.738 -0.010 0.000 1.151 547 Q HN 0.380 nan 8.270 nan 0.000 0.417 548 R N 0.553 121.044 120.500 -0.015 0.000 2.643 548 R HA 0.330 4.670 4.340 -0.000 0.000 0.270 548 R C 0.981 177.266 176.300 -0.025 0.000 1.061 548 R CA 0.835 56.930 56.100 -0.008 0.000 1.107 548 R CB 0.531 30.826 30.300 -0.007 0.000 0.999 548 R HN 0.396 nan 8.270 nan 0.000 0.460 549 T N -0.467 114.068 114.554 -0.032 0.000 2.924 549 T HA 0.731 5.081 4.350 -0.000 0.000 0.291 549 T C -0.638 174.046 174.700 -0.028 0.000 1.045 549 T CA -0.879 61.124 62.100 -0.162 0.000 1.015 549 T CB 1.316 70.018 68.868 -0.276 0.000 1.103 549 T HN 0.491 nan 8.240 nan 0.000 0.496 550 F N -1.029 118.638 119.950 -0.472 0.000 2.668 550 F HA 0.816 5.343 4.527 -0.000 0.000 0.309 550 F C -2.207 173.261 175.800 -0.554 0.000 1.117 550 F CA -2.590 55.189 58.000 -0.368 0.000 0.951 550 F CB 0.890 39.763 39.000 -0.213 0.000 1.323 550 F HN 0.561 nan 8.300 nan 0.000 0.451 551 F N 1.281 121.026 119.950 -0.341 0.000 2.427 551 F HA 0.429 4.956 4.527 -0.000 0.000 0.346 551 F C 0.845 176.342 175.800 -0.505 0.000 1.120 551 F CA -0.801 56.779 58.000 -0.700 0.000 1.033 551 F CB 2.146 40.311 39.000 -1.391 0.000 1.126 551 F HN 0.671 nan 8.300 nan 0.000 0.462 552 S N 3.567 119.157 115.700 -0.183 0.000 2.994 552 S HA 0.266 4.736 4.470 -0.000 0.000 0.247 552 S C -0.113 174.550 174.600 0.105 0.000 1.323 552 S CA -0.586 57.650 58.200 0.060 0.000 1.246 552 S CB -1.426 61.876 63.200 0.171 0.000 0.994 552 S HN 0.444 nan 8.310 nan 0.000 0.484 553 F N 2.317 122.349 119.950 0.137 0.000 2.608 553 F HA 0.191 4.718 4.527 -0.000 0.000 0.380 553 F C -1.661 174.151 175.800 0.020 0.000 1.083 553 F CA -2.134 55.906 58.000 0.067 0.000 1.266 553 F CB -0.055 38.985 39.000 0.065 0.000 1.076 553 F HN 0.209 nan 8.300 nan 0.000 0.574 554 P HA -0.061 nan 4.420 nan 0.000 0.268 554 P C 0.064 177.422 177.300 0.097 0.000 1.208 554 P CA 0.155 63.320 63.100 0.109 0.000 0.777 554 P CB 0.711 32.447 31.700 0.061 0.000 0.875 555 A N 2.623 125.495 122.820 0.086 0.000 1.978 555 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 555 A C 1.821 179.469 177.584 0.108 0.000 1.170 555 A CA 2.202 54.303 52.037 0.107 0.000 0.636 555 A CB -1.706 17.419 19.000 0.207 0.000 0.810 555 A HN 0.523 nan 8.150 nan 0.000 0.448 556 V N -1.696 118.269 119.914 0.084 0.000 2.970 556 V HA -0.079 4.041 4.120 -0.000 0.000 0.260 556 V C 1.902 178.013 176.094 0.028 0.000 1.100 556 V CA 1.741 64.080 62.300 0.064 0.000 1.122 556 V CB -0.991 30.862 31.823 0.051 0.000 0.721 556 V HN 0.689 nan 8.190 nan 0.000 0.483 557 V N -2.708 117.203 119.914 -0.007 0.000 3.612 557 V HA 0.659 4.779 4.120 -0.000 0.000 0.268 557 V C 1.377 177.397 176.094 -0.124 0.000 1.365 557 V CA -0.097 62.149 62.300 -0.089 0.000 1.044 557 V CB -0.607 31.104 31.823 -0.187 0.000 0.820 557 V HN 0.543 nan 8.190 nan 0.000 0.444 558 A N 2.119 124.934 122.820 -0.008 0.000 2.565 558 A HA 0.343 4.663 4.320 -0.000 0.000 0.237 558 A C -0.627 176.966 177.584 0.016 0.000 1.053 558 A CA -0.007 52.068 52.037 0.063 0.000 0.755 558 A CB -0.346 18.718 19.000 0.108 0.000 0.980 558 A HN 0.397 nan 8.150 nan 0.000 0.506 559 P HA -0.122 nan 4.420 nan 0.000 0.216 559 P C 0.082 177.488 177.300 0.176 0.000 1.157 559 P CA 1.790 64.911 63.100 0.035 0.000 0.880 559 P CB -0.114 31.584 31.700 -0.004 0.000 0.791 560 F N -5.545 114.457 119.950 0.086 0.000 2.626 560 F HA 0.549 5.076 4.527 -0.000 0.000 0.311 560 F C 0.956 176.835 175.800 0.131 0.000 1.088 560 F CA -1.258 56.795 58.000 0.088 0.000 0.949 560 F CB 0.996 40.036 39.000 0.066 0.000 1.322 560 F HN -0.497 nan 8.300 nan 0.000 0.461 561 K N 0.031 120.640 120.400 0.349 0.000 2.186 561 K HA 0.138 4.458 4.320 -0.000 0.000 0.202 561 K C -0.341 176.482 176.600 0.371 0.000 1.052 561 K CA 0.963 57.426 56.287 0.294 0.000 0.965 561 K CB 0.185 32.886 32.500 0.335 0.000 0.746 561 K HN 0.554 nan 8.250 nan 0.000 0.457 562 C N 1.355 120.960 119.300 0.507 0.000 2.505 562 C HA 0.330 4.790 4.460 -0.000 0.000 0.342 562 C C -0.294 175.029 174.990 0.554 0.000 1.121 562 C CA -0.880 58.425 59.018 0.478 0.000 1.306 562 C CB 0.882 28.852 27.740 0.383 0.000 1.897 562 C HN 0.325 nan 8.230 nan 0.000 0.446 563 S N 4.049 120.056 115.700 0.512 0.000 2.523 563 S HA 0.645 5.115 4.470 -0.000 0.000 0.275 563 S C -0.513 174.276 174.600 0.316 0.000 1.281 563 S CA -0.250 58.240 58.200 0.484 0.000 1.050 563 S CB 0.653 64.130 63.200 0.462 0.000 0.937 563 S HN 0.729 nan 8.310 nan 0.000 0.492 564 V N 6.653 126.689 119.914 0.204 0.000 2.313 564 V HA 0.371 4.491 4.120 -0.000 0.000 0.278 564 V C -0.942 175.190 176.094 0.063 0.000 1.017 564 V CA -0.835 61.538 62.300 0.123 0.000 0.823 564 V CB 0.662 32.528 31.823 0.071 0.000 1.010 564 V HN 0.788 nan 8.190 nan 0.000 0.443 565 L N 5.849 127.086 121.223 0.024 0.000 2.295 565 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 565 L C -2.493 174.365 176.870 -0.021 0.000 1.018 565 L CA -2.314 52.493 54.840 -0.054 0.000 0.841 565 L CB 0.700 42.629 42.059 -0.217 0.000 1.218 565 L HN 0.279 nan 8.230 nan 0.000 0.424 566 P HA 0.234 nan 4.420 nan 0.000 0.288 566 P C 0.368 177.617 177.300 -0.084 0.000 1.267 566 P CA -0.554 62.573 63.100 0.045 0.000 0.815 566 P CB 2.178 33.949 31.700 0.118 0.000 0.989 567 L N 0.955 122.098 121.223 -0.133 0.000 2.217 567 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 567 L C 1.355 177.895 176.870 -0.550 0.000 1.107 567 L CA 1.690 56.350 54.840 -0.299 0.000 0.783 567 L CB -0.712 41.163 42.059 -0.307 0.000 0.919 567 L HN 0.453 nan 8.230 nan 0.000 0.442 568 S N -2.318 112.755 115.700 -1.046 0.000 2.627 568 S HA 0.436 4.906 4.470 -0.000 0.000 0.283 568 S C -0.070 174.132 174.600 -0.663 0.000 1.127 568 S CA -0.488 57.127 58.200 -0.975 0.000 0.863 568 S CB 1.705 64.106 63.200 -1.332 0.000 1.121 568 S HN 0.068 nan 8.310 nan 0.000 0.479 569 Q N 1.721 121.328 119.800 -0.322 0.000 2.155 569 Q HA 0.314 4.654 4.340 -0.000 0.000 0.220 569 Q C 0.316 176.293 176.000 -0.038 0.000 0.819 569 Q CA -0.242 55.494 55.803 -0.111 0.000 1.032 569 Q CB -0.007 28.690 28.738 -0.068 0.000 1.151 569 Q HN 0.810 nan 8.270 nan 0.000 0.487 570 N N -1.844 116.822 118.700 -0.057 0.000 2.294 570 N HA -0.084 4.656 4.740 -0.000 0.000 0.248 570 N C 0.741 176.325 175.510 0.123 0.000 1.300 570 N CA -0.316 52.759 53.050 0.041 0.000 0.925 570 N CB 0.468 38.990 38.487 0.058 0.000 1.188 570 N HN 0.071 nan 8.380 nan 0.000 0.512 571 Q N -0.719 119.146 119.800 0.108 0.000 2.364 571 Q HA -0.154 4.186 4.340 -0.000 0.000 0.209 571 Q C 0.835 176.917 176.000 0.137 0.000 0.977 571 Q CA 1.156 57.019 55.803 0.100 0.000 0.885 571 Q CB 0.147 28.927 28.738 0.068 0.000 0.941 571 Q HN 0.589 nan 8.270 nan 0.000 0.464 572 E N -0.720 119.612 120.200 0.220 0.000 2.230 572 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 572 E C 1.178 177.964 176.600 0.311 0.000 0.987 572 E CA 0.650 57.203 56.400 0.256 0.000 0.841 572 E CB -0.029 29.859 29.700 0.315 0.000 0.783 572 E HN 0.372 nan 8.360 nan 0.000 0.481 573 F N 0.106 120.125 119.950 0.116 0.000 2.530 573 F HA 0.089 4.616 4.527 -0.000 0.000 0.292 573 F C 2.078 177.952 175.800 0.125 0.000 1.109 573 F CA 0.353 58.432 58.000 0.131 0.000 1.450 573 F CB -0.012 38.992 39.000 0.006 0.000 1.114 573 F HN -0.090 nan 8.300 nan 0.000 0.560 574 M N 0.196 119.927 119.600 0.218 0.000 2.132 574 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 574 M C -0.552 175.759 176.300 0.019 0.000 1.065 574 M CA 1.322 56.685 55.300 0.105 0.000 1.122 574 M CB -2.463 30.175 32.600 0.064 0.000 1.365 574 M HN -0.092 nan 8.290 nan 0.000 0.411 575 P HA -0.146 nan 4.420 nan 0.000 0.216 575 P C 1.495 178.613 177.300 -0.303 0.000 1.150 575 P CA 1.413 64.368 63.100 -0.241 0.000 0.843 575 P CB -0.255 31.196 31.700 -0.415 0.000 0.787 576 F N -1.540 118.341 119.950 -0.115 0.000 2.234 576 F HA -0.102 4.425 4.527 -0.000 0.000 0.296 576 F C 2.311 178.056 175.800 -0.091 0.000 1.089 576 F CA 0.740 58.655 58.000 -0.141 0.000 1.343 576 F CB -1.082 37.784 39.000 -0.224 0.000 1.040 576 F HN -0.295 nan 8.300 nan 0.000 0.498 577 V N 0.343 120.334 119.914 0.129 0.000 2.307 577 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 577 V C 2.407 178.510 176.094 0.015 0.000 1.045 577 V CA 1.888 64.229 62.300 0.068 0.000 1.024 577 V CB -0.613 31.261 31.823 0.084 0.000 0.651 577 V HN 0.243 nan 8.190 nan 0.000 0.449 578 K N 0.208 120.611 120.400 0.004 0.000 2.032 578 K HA -0.300 4.020 4.320 -0.000 0.000 0.209 578 K C 2.215 178.797 176.600 -0.031 0.000 1.048 578 K CA 2.213 58.491 56.287 -0.014 0.000 0.927 578 K CB -0.145 32.340 32.500 -0.025 0.000 0.712 578 K HN 0.420 nan 8.250 nan 0.000 0.441 579 E N 0.960 121.131 120.200 -0.048 0.000 2.051 579 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 579 E C 1.913 178.491 176.600 -0.036 0.000 0.991 579 E CA 1.122 57.493 56.400 -0.049 0.000 0.799 579 E CB -0.385 29.269 29.700 -0.077 0.000 0.748 579 E HN 0.303 nan 8.360 nan 0.000 0.449 580 L N 0.106 121.309 121.223 -0.034 0.000 2.046 580 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 580 L C 2.241 179.025 176.870 -0.142 0.000 1.077 580 L CA 1.580 56.382 54.840 -0.063 0.000 0.747 580 L CB -0.437 41.594 42.059 -0.046 0.000 0.896 580 L HN 0.261 nan 8.230 nan 0.000 0.432 581 L N -1.022 120.104 121.223 -0.162 0.000 2.017 581 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 581 L C 2.498 179.294 176.870 -0.123 0.000 1.073 581 L CA 1.546 56.210 54.840 -0.293 0.000 0.745 581 L CB -0.679 41.321 42.059 -0.099 0.000 0.894 581 L HN 0.340 nan 8.230 nan 0.000 0.432 582 E N 0.253 120.436 120.200 -0.028 0.000 2.077 582 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 582 E C 2.301 178.927 176.600 0.044 0.000 0.989 582 E CA 1.179 57.593 56.400 0.024 0.000 0.800 582 E CB -0.155 29.553 29.700 0.013 0.000 0.746 582 E HN 0.490 nan 8.360 nan 0.000 0.452 583 A N 1.299 124.137 122.820 0.029 0.000 1.877 583 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 583 A C 2.220 179.895 177.584 0.151 0.000 1.186 583 A CA 1.115 53.212 52.037 0.100 0.000 0.620 583 A CB -0.756 18.274 19.000 0.050 0.000 0.822 583 A HN 0.132 nan 8.150 nan 0.000 0.443 584 L N -0.634 120.602 121.223 0.022 0.000 2.043 584 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 584 L C 2.843 179.835 176.870 0.202 0.000 1.075 584 L CA 1.899 56.776 54.840 0.062 0.000 0.752 584 L CB -1.013 40.979 42.059 -0.111 0.000 0.891 584 L HN 0.380 nan 8.230 nan 0.000 0.432 585 T N -0.844 113.839 114.554 0.215 0.000 2.652 585 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 585 T C 1.995 176.779 174.700 0.139 0.000 1.039 585 T CA 1.200 63.431 62.100 0.218 0.000 1.153 585 T CB -0.224 68.757 68.868 0.188 0.000 0.863 585 T HN 0.268 nan 8.240 nan 0.000 0.428 586 R N 0.284 120.852 120.500 0.113 0.000 2.139 586 R HA -0.092 4.248 4.340 -0.000 0.000 0.243 586 R C 1.919 178.204 176.300 -0.026 0.000 1.145 586 R CA 1.150 57.272 56.100 0.037 0.000 0.976 586 R CB -0.294 30.018 30.300 0.020 0.000 0.866 586 R HN 0.585 nan 8.270 nan 0.000 0.449 587 H N -0.997 118.102 119.070 0.049 0.000 2.526 587 H HA 0.097 4.653 4.556 -0.000 0.000 0.274 587 H C 0.950 176.319 175.328 0.068 0.000 0.999 587 H CA 0.606 56.683 56.048 0.049 0.000 1.157 587 H CB 0.738 30.524 29.762 0.040 0.000 1.407 587 H HN 0.437 nan 8.280 nan 0.000 0.568 588 G N 1.491 110.387 108.800 0.160 0.000 2.225 588 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 588 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 588 G C 0.096 175.094 174.900 0.163 0.000 1.024 588 G CA 0.446 45.626 45.100 0.134 0.000 0.784 588 G HN 0.221 nan 8.290 nan 0.000 0.507 589 V N 1.652 121.692 119.914 0.209 0.000 2.347 589 V HA 0.584 4.704 4.120 -0.000 0.000 0.280 589 V C 0.975 177.250 176.094 0.303 0.000 1.021 589 V CA -0.178 62.263 62.300 0.234 0.000 0.847 589 V CB 1.364 33.316 31.823 0.215 0.000 0.990 589 V HN 0.814 nan 8.190 nan 0.000 0.444 590 S N 5.469 121.310 115.700 0.236 0.000 2.585 590 S HA 0.588 5.058 4.470 -0.000 0.000 0.273 590 S C -0.273 174.480 174.600 0.256 0.000 1.339 590 S CA -0.456 57.828 58.200 0.139 0.000 1.028 590 S CB 0.734 64.008 63.200 0.123 0.000 0.906 590 S HN 0.997 nan 8.310 nan 0.000 0.528 591 H N -0.924 118.196 119.070 0.084 0.000 2.932 591 H HA 0.638 5.194 4.556 -0.000 0.000 0.307 591 H C -1.584 173.528 175.328 -0.361 0.000 1.391 591 H CA -1.085 54.971 56.048 0.014 0.000 1.130 591 H CB 1.377 31.177 29.762 0.063 0.000 1.836 591 H HN 0.804 nan 8.280 nan 0.000 0.522 592 K N 1.512 121.756 120.400 -0.259 0.000 2.571 592 K HA 0.310 4.630 4.320 -0.000 0.000 0.252 592 K C -1.489 175.064 176.600 -0.078 0.000 0.956 592 K CA -0.606 55.454 56.287 -0.379 0.000 0.822 592 K CB 2.966 34.874 32.500 -0.986 0.000 1.286 592 K HN 0.401 nan 8.250 nan 0.000 0.439 593 V N 3.450 123.357 119.914 -0.011 0.000 2.529 593 V HA -0.025 4.095 4.120 -0.000 0.000 0.292 593 V C 0.330 176.427 176.094 0.007 0.000 1.028 593 V CA 0.148 62.459 62.300 0.018 0.000 1.074 593 V CB 0.807 32.641 31.823 0.019 0.000 0.958 593 V HN 0.707 nan 8.190 nan 0.000 0.481 594 D N 3.960 124.372 120.400 0.020 0.000 2.325 594 D HA 0.135 4.775 4.640 -0.000 0.000 0.251 594 D C -0.256 176.035 176.300 -0.015 0.000 1.196 594 D CA -0.207 53.800 54.000 0.011 0.000 0.866 594 D CB 1.321 42.111 40.800 -0.016 0.000 1.101 594 D HN 0.530 nan 8.370 nan 0.000 0.476 595 D N 1.689 122.084 120.400 -0.008 0.000 2.696 595 D HA 0.061 4.701 4.640 -0.000 0.000 0.269 595 D C 0.313 176.605 176.300 -0.013 0.000 1.319 595 D CA -0.172 53.818 54.000 -0.017 0.000 0.826 595 D CB 0.391 41.183 40.800 -0.012 0.000 1.086 595 D HN 0.326 nan 8.370 nan 0.000 0.481 596 S N -0.806 114.887 115.700 -0.012 0.000 2.713 596 S HA 0.625 5.095 4.470 -0.000 0.000 0.277 596 S C 0.630 175.222 174.600 -0.014 0.000 1.168 596 S CA -0.633 57.565 58.200 -0.004 0.000 0.994 596 S CB 1.409 64.615 63.200 0.009 0.000 1.054 596 S HN 0.066 nan 8.310 nan 0.000 0.555 597 S N -0.562 115.135 115.700 -0.006 0.000 2.693 597 S HA 0.827 5.297 4.470 -0.000 0.000 0.276 597 S C 0.701 175.297 174.600 -0.007 0.000 1.192 597 S CA -0.165 58.031 58.200 -0.007 0.000 0.994 597 S CB 0.088 63.288 63.200 -0.000 0.000 1.012 597 S HN 2.381 nan 8.310 nan 0.000 0.550 598 G N 0.680 109.477 108.800 -0.005 0.000 2.710 598 G HA2 0.064 4.024 3.960 -0.000 0.000 0.668 598 G HA3 0.064 4.024 3.960 -0.000 0.000 0.668 598 G C -0.175 174.724 174.900 -0.002 0.000 1.320 598 G CA -0.468 44.632 45.100 0.001 0.000 0.860 598 G HN 2.006 nan 8.290 nan 0.000 0.538 599 S N -0.740 114.965 115.700 0.008 0.000 2.576 599 S HA 0.365 4.835 4.470 -0.000 0.000 0.272 599 S C 1.885 176.489 174.600 0.006 0.000 1.352 599 S CA 0.392 58.601 58.200 0.016 0.000 1.021 599 S CB 1.157 64.375 63.200 0.029 0.000 0.887 599 S HN 1.892 nan 8.310 nan 0.000 0.542 600 I N 1.760 122.338 120.570 0.013 0.000 2.143 600 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 600 I C 2.111 178.261 176.117 0.055 0.000 1.068 600 I CA 2.315 63.612 61.300 -0.006 0.000 1.326 600 I CB -1.046 36.997 38.000 0.073 0.000 1.028 600 I HN 0.882 nan 8.210 nan 0.000 0.412 601 G N 0.139 109.005 108.800 0.110 0.000 2.408 601 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 601 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 601 G C 1.790 176.749 174.900 0.098 0.000 1.150 601 G CA 0.738 45.921 45.100 0.138 0.000 0.776 601 G HN 0.433 nan 8.290 nan 0.000 0.542 602 R N 0.242 120.774 120.500 0.053 0.000 2.092 602 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 602 R C 2.752 179.072 176.300 0.034 0.000 1.119 602 R CA 0.706 56.829 56.100 0.038 0.000 0.970 602 R CB -0.125 30.189 30.300 0.023 0.000 0.864 602 R HN 0.211 nan 8.270 nan 0.000 0.440 603 R N -0.539 119.959 120.500 -0.004 0.000 2.062 603 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 603 R C 2.146 178.439 176.300 -0.012 0.000 1.136 603 R CA 1.400 57.469 56.100 -0.051 0.000 0.948 603 R CB -0.856 29.347 30.300 -0.162 0.000 0.845 603 R HN 0.297 nan 8.270 nan 0.000 0.430 604 Y N 1.304 121.624 120.300 0.032 0.000 2.274 604 Y HA -0.129 4.421 4.550 -0.000 0.000 0.290 604 Y C 2.592 178.494 175.900 0.004 0.000 1.145 604 Y CA 0.780 58.893 58.100 0.021 0.000 1.203 604 Y CB -0.793 37.669 38.460 0.003 0.000 0.984 604 Y HN 0.144 nan 8.280 nan 0.000 0.533 605 A N 0.260 123.173 122.820 0.154 0.000 1.940 605 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 605 A C 2.348 179.984 177.584 0.088 0.000 1.176 605 A CA 1.917 54.002 52.037 0.081 0.000 0.631 605 A CB -0.529 18.503 19.000 0.053 0.000 0.814 605 A HN 0.440 nan 8.150 nan 0.000 0.446 606 R N -1.505 119.052 120.500 0.094 0.000 2.066 606 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 606 R C 2.368 178.743 176.300 0.125 0.000 1.131 606 R CA 1.638 57.799 56.100 0.102 0.000 0.955 606 R CB -0.947 29.405 30.300 0.087 0.000 0.851 606 R HN 0.461 nan 8.270 nan 0.000 0.432 607 T N 1.251 115.887 114.554 0.138 0.000 2.653 607 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 607 T C 1.169 175.931 174.700 0.103 0.000 1.035 607 T CA 1.914 64.099 62.100 0.141 0.000 1.154 607 T CB -0.328 68.673 68.868 0.221 0.000 0.862 607 T HN 0.233 nan 8.240 nan 0.000 0.441 608 D N 0.476 120.937 120.400 0.102 0.000 2.144 608 D HA -0.065 4.575 4.640 -0.000 0.000 0.199 608 D C 2.084 178.478 176.300 0.158 0.000 0.984 608 D CA 0.861 54.908 54.000 0.079 0.000 0.834 608 D CB -0.359 40.441 40.800 -0.001 0.000 0.955 608 D HN 0.535 nan 8.370 nan 0.000 0.465 609 E N 0.279 120.575 120.200 0.159 0.000 2.153 609 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 609 E C 1.887 178.716 176.600 0.381 0.000 0.988 609 E CA 0.677 57.195 56.400 0.196 0.000 0.811 609 E CB -0.006 29.794 29.700 0.167 0.000 0.746 609 E HN 0.446 nan 8.360 nan 0.000 0.466 610 I N -4.389 116.399 120.570 0.363 0.000 3.875 610 I HA 0.414 4.584 4.170 -0.000 0.000 0.329 610 I C 1.024 177.435 176.117 0.490 0.000 1.295 610 I CA 0.380 61.988 61.300 0.513 0.000 1.129 610 I CB 0.555 38.681 38.000 0.210 0.000 1.008 610 I HN 0.101 nan 8.210 nan 0.000 0.413 611 G N 1.673 110.660 108.800 0.313 0.000 2.137 611 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.237 611 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.237 611 G C 0.109 175.093 174.900 0.141 0.000 1.002 611 G CA 0.078 45.300 45.100 0.205 0.000 0.702 611 G HN 0.292 nan 8.290 nan 0.000 0.515 612 V N 0.603 120.496 119.914 -0.035 0.000 2.529 612 V HA 0.389 4.509 4.120 -0.000 0.000 0.292 612 V C 1.883 177.883 176.094 -0.157 0.000 1.028 612 V CA 0.919 63.095 62.300 -0.206 0.000 1.074 612 V CB 0.813 32.413 31.823 -0.371 0.000 0.958 612 V HN 0.870 nan 8.190 nan 0.000 0.481 613 A N 4.934 127.622 122.820 -0.220 0.000 1.873 613 A HA 0.107 4.427 4.320 -0.000 0.000 0.215 613 A C 0.631 177.702 177.584 -0.855 0.000 1.186 613 A CA 1.443 53.133 52.037 -0.580 0.000 0.616 613 A CB -0.129 18.437 19.000 -0.723 0.000 0.823 613 A HN 0.622 nan 8.150 nan 0.000 0.442 614 F N -2.831 117.130 119.950 0.020 0.000 2.664 614 F HA 0.663 5.190 4.527 -0.000 0.000 0.329 614 F C 0.394 176.234 175.800 0.067 0.000 1.090 614 F CA -0.686 57.313 58.000 -0.001 0.000 0.978 614 F CB 1.496 40.526 39.000 0.050 0.000 1.378 614 F HN 0.153 nan 8.300 nan 0.000 0.495 615 G N -0.017 108.944 108.800 0.268 0.000 2.753 615 G HA2 0.579 4.539 3.960 -0.000 0.000 0.297 615 G HA3 0.579 4.539 3.960 -0.000 0.000 0.297 615 G C -2.497 172.565 174.900 0.270 0.000 1.430 615 G CA -0.712 44.579 45.100 0.318 0.000 1.040 615 G HN 0.486 nan 8.290 nan 0.000 0.530 616 V N 1.759 121.845 119.914 0.287 0.000 2.376 616 V HA 0.450 4.570 4.120 -0.000 0.000 0.287 616 V C 0.077 176.277 176.094 0.177 0.000 1.015 616 V CA -0.635 61.769 62.300 0.173 0.000 0.834 616 V CB 1.517 33.390 31.823 0.082 0.000 1.001 616 V HN 0.791 nan 8.190 nan 0.000 0.428 617 T N 6.633 121.292 114.554 0.175 0.000 2.780 617 T HA 0.579 4.929 4.350 -0.000 0.000 0.294 617 T C -0.044 174.666 174.700 0.016 0.000 0.949 617 T CA 0.035 62.204 62.100 0.114 0.000 1.074 617 T CB 0.641 69.608 68.868 0.166 0.000 0.910 617 T HN 0.386 nan 8.240 nan 0.000 0.501 618 I N 4.514 125.089 120.570 0.010 0.000 2.354 618 I HA 0.323 4.493 4.170 -0.000 0.000 0.286 618 I C -0.129 175.998 176.117 0.017 0.000 1.007 618 I CA -0.806 60.468 61.300 -0.044 0.000 1.167 618 I CB 1.101 39.084 38.000 -0.029 0.000 1.320 618 I HN 0.706 nan 8.210 nan 0.000 0.458 619 D N 4.218 124.583 120.400 -0.059 0.000 2.650 619 D HA 0.326 4.966 4.640 -0.000 0.000 0.255 619 D C 0.602 176.859 176.300 -0.072 0.000 1.135 619 D CA -0.624 53.374 54.000 -0.004 0.000 1.099 619 D CB 0.535 41.382 40.800 0.078 0.000 1.273 619 D HN 0.247 nan 8.370 nan 0.000 0.628 620 F N -0.223 119.848 119.950 0.201 0.000 2.171 620 F HA -0.034 4.493 4.527 0.000 0.000 0.300 620 F C 1.649 177.436 175.800 -0.022 0.000 1.090 620 F CA 1.289 59.376 58.000 0.145 0.000 1.293 620 F CB -0.341 38.765 39.000 0.177 0.000 1.013 620 F HN 0.281 nan 8.300 nan 0.000 0.486 621 D N -0.586 119.909 120.400 0.158 0.000 2.144 621 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 621 D C 2.156 178.411 176.300 -0.075 0.000 0.984 621 D CA 1.854 55.884 54.000 0.049 0.000 0.834 621 D CB -0.428 40.412 40.800 0.066 0.000 0.955 621 D HN 0.149 nan 8.370 nan 0.000 0.465 622 T N -0.183 114.266 114.554 -0.175 0.000 2.684 622 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 622 T C 2.093 176.495 174.700 -0.497 0.000 1.036 622 T CA 0.920 62.823 62.100 -0.328 0.000 1.148 622 T CB -0.354 68.256 68.868 -0.430 0.000 0.863 622 T HN 0.017 nan 8.240 nan 0.000 0.436 623 V N 1.894 121.429 119.914 -0.632 0.000 2.649 623 V HA -0.009 4.111 4.120 -0.000 0.000 0.248 623 V C 2.105 178.152 176.094 -0.078 0.000 1.054 623 V CA 1.145 63.023 62.300 -0.703 0.000 1.073 623 V CB -0.364 30.970 31.823 -0.814 0.000 0.699 623 V HN 0.476 nan 8.190 nan 0.000 0.463 624 N N -0.544 118.159 118.700 0.004 0.000 2.454 624 N HA 0.080 4.820 4.740 -0.000 0.000 0.177 624 N C 0.702 176.238 175.510 0.043 0.000 1.049 624 N CA 0.156 53.259 53.050 0.087 0.000 0.887 624 N CB 0.410 38.963 38.487 0.109 0.000 1.095 624 N HN 0.284 nan 8.380 nan 0.000 0.446 625 K N 1.226 121.612 120.400 -0.023 0.000 2.234 625 K HA 0.161 4.481 4.320 -0.000 0.000 0.282 625 K C -0.122 176.309 176.600 -0.282 0.000 1.039 625 K CA -0.051 56.181 56.287 -0.091 0.000 0.928 625 K CB 1.259 33.722 32.500 -0.061 0.000 1.039 625 K HN -0.129 nan 8.250 nan 0.000 0.470 626 T N 3.817 118.210 114.554 -0.268 0.000 2.806 626 T HA 0.468 4.818 4.350 -0.000 0.000 0.290 626 T C -1.983 172.600 174.700 -0.194 0.000 0.966 626 T CA -1.626 60.262 62.100 -0.353 0.000 1.060 626 T CB 0.304 68.911 68.868 -0.435 0.000 0.927 626 T HN 0.318 nan 8.240 nan 0.000 0.485 627 P HA 0.327 nan 4.420 nan 0.000 0.276 627 P C -0.710 176.418 177.300 -0.286 0.000 1.252 627 P CA -0.565 62.397 63.100 -0.230 0.000 0.802 627 P CB 0.342 31.995 31.700 -0.079 0.000 1.035 628 H N 0.259 119.312 119.070 -0.028 0.000 2.846 628 H HA 0.261 4.817 4.556 -0.000 0.000 0.278 628 H C 0.386 175.641 175.328 -0.122 0.000 1.117 628 H CA 0.079 56.061 56.048 -0.109 0.000 1.406 628 H CB -0.140 29.581 29.762 -0.068 0.000 1.445 628 H HN 0.424 nan 8.280 nan 0.000 0.469 629 T N 0.393 114.899 114.554 -0.080 0.000 2.932 629 T HA 0.813 5.163 4.350 -0.000 0.000 0.289 629 T C -0.080 174.512 174.700 -0.181 0.000 1.039 629 T CA -0.996 61.034 62.100 -0.118 0.000 1.024 629 T CB 2.430 71.226 68.868 -0.120 0.000 1.090 629 T HN 0.594 nan 8.240 nan 0.000 0.496 630 A N 1.199 123.899 122.820 -0.199 0.000 2.556 630 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 630 A C -0.034 177.400 177.584 -0.249 0.000 1.091 630 A CA -0.983 50.926 52.037 -0.213 0.000 0.704 630 A CB 1.294 20.207 19.000 -0.145 0.000 1.300 630 A HN 0.870 nan 8.150 nan 0.000 0.406 631 T N 1.559 115.969 114.554 -0.240 0.000 2.832 631 T HA 0.432 4.782 4.350 -0.000 0.000 0.296 631 T C -0.371 174.309 174.700 -0.033 0.000 0.968 631 T CA 0.237 62.214 62.100 -0.205 0.000 1.107 631 T CB 0.349 69.144 68.868 -0.122 0.000 0.916 631 T HN 0.605 nan 8.240 nan 0.000 0.517 632 L N 4.103 125.332 121.223 0.010 0.000 2.296 632 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 632 L C -0.106 176.909 176.870 0.242 0.000 1.023 632 L CA -0.507 54.401 54.840 0.114 0.000 0.812 632 L CB 1.073 43.183 42.059 0.084 0.000 1.223 632 L HN 0.546 nan 8.230 nan 0.000 0.421 633 R N 3.086 123.653 120.500 0.111 0.000 2.437 633 R HA 0.371 4.711 4.340 -0.000 0.000 0.310 633 R C -1.279 174.875 176.300 -0.244 0.000 0.955 633 R CA -0.651 55.394 56.100 -0.091 0.000 0.851 633 R CB 1.217 31.267 30.300 -0.416 0.000 1.161 633 R HN 0.790 nan 8.270 nan 0.000 0.446 634 D N 2.452 122.461 120.400 -0.652 0.000 2.277 634 D HA 0.072 4.712 4.640 -0.000 0.000 0.249 634 D C 1.207 177.154 176.300 -0.589 0.000 1.134 634 D CA -0.289 53.192 54.000 -0.865 0.000 0.863 634 D CB 1.218 40.886 40.800 -1.886 0.000 1.143 634 D HN 0.547 nan 8.370 nan 0.000 0.458 635 R N 3.237 123.445 120.500 -0.487 0.000 2.080 635 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 635 R C 0.598 176.608 176.300 -0.484 0.000 1.137 635 R CA 1.691 57.537 56.100 -0.423 0.000 0.943 635 R CB -0.136 29.967 30.300 -0.329 0.000 0.846 635 R HN 0.560 nan 8.270 nan 0.000 0.431 636 D N 0.207 120.369 120.400 -0.396 0.000 2.078 636 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 636 D C 2.014 178.065 176.300 -0.415 0.000 0.990 636 D CA 2.164 55.965 54.000 -0.333 0.000 0.827 636 D CB -0.328 40.394 40.800 -0.130 0.000 0.975 636 D HN 0.408 nan 8.370 nan 0.000 0.451 637 S N -0.439 115.035 115.700 -0.377 0.000 2.446 637 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 637 S C 1.414 175.838 174.600 -0.293 0.000 1.016 637 S CA 0.678 58.702 58.200 -0.293 0.000 0.943 637 S CB -0.081 62.976 63.200 -0.239 0.000 0.786 637 S HN 0.321 nan 8.310 nan 0.000 0.508 638 M N -0.926 118.452 119.600 -0.370 0.000 2.907 638 M HA -0.188 4.292 4.480 -0.000 0.000 0.186 638 M C -0.026 176.167 176.300 -0.178 0.000 0.631 638 M CA 0.689 55.810 55.300 -0.298 0.000 0.700 638 M CB -1.577 30.874 32.600 -0.248 0.000 2.523 638 M HN 0.340 nan 8.290 nan 0.000 0.323 639 R N 1.196 121.611 120.500 -0.142 0.000 2.594 639 R HA 0.445 4.785 4.340 -0.000 0.000 0.272 639 R C 0.179 176.630 176.300 0.252 0.000 1.074 639 R CA 0.211 56.375 56.100 0.106 0.000 1.105 639 R CB 0.661 31.156 30.300 0.325 0.000 1.008 639 R HN 0.315 nan 8.270 nan 0.000 0.472 640 Q N 1.356 121.355 119.800 0.332 0.000 2.433 640 Q HA 0.550 4.890 4.340 -0.000 0.000 0.279 640 Q C -0.824 175.396 176.000 0.367 0.000 1.105 640 Q CA -0.860 55.163 55.803 0.366 0.000 0.815 640 Q CB 2.420 31.330 28.738 0.287 0.000 1.403 640 Q HN 0.304 nan 8.270 nan 0.000 0.435 641 I N 0.792 121.526 120.570 0.274 0.000 3.095 641 I HA 0.458 4.628 4.170 -0.000 0.000 0.310 641 I C -1.215 174.894 176.117 -0.012 0.000 1.196 641 I CA -0.700 60.668 61.300 0.114 0.000 0.985 641 I CB 2.455 40.413 38.000 -0.070 0.000 1.250 641 I HN 0.546 nan 8.210 nan 0.000 0.446 642 R N 2.788 123.258 120.500 -0.050 0.000 2.468 642 R HA 0.781 5.121 4.340 -0.000 0.000 0.302 642 R C -1.349 174.872 176.300 -0.132 0.000 1.041 642 R CA -0.271 55.714 56.100 -0.191 0.000 0.899 642 R CB 1.357 31.527 30.300 -0.218 0.000 1.167 642 R HN 0.740 nan 8.270 nan 0.000 0.483 643 A N 2.588 125.276 122.820 -0.220 0.000 2.430 643 A HA 0.514 4.834 4.320 -0.000 0.000 0.300 643 A C -1.006 176.482 177.584 -0.160 0.000 1.124 643 A CA -0.804 51.094 52.037 -0.232 0.000 0.766 643 A CB 1.110 19.743 19.000 -0.613 0.000 1.328 643 A HN 0.739 nan 8.150 nan 0.000 0.424 644 E N 0.235 120.381 120.200 -0.090 0.000 2.415 644 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 644 E C 0.730 177.293 176.600 -0.063 0.000 0.995 644 E CA -0.201 56.171 56.400 -0.046 0.000 0.915 644 E CB 0.363 30.066 29.700 0.004 0.000 0.951 644 E HN 0.520 nan 8.360 nan 0.000 0.449 645 I N 4.062 124.613 120.570 -0.032 0.000 2.300 645 I HA -0.340 3.829 4.170 -0.000 0.000 0.252 645 I C 2.030 178.135 176.117 -0.019 0.000 1.119 645 I CA 2.265 63.549 61.300 -0.026 0.000 1.384 645 I CB -0.278 37.739 38.000 0.029 0.000 1.062 645 I HN 0.660 nan 8.210 nan 0.000 0.426 646 S N -0.948 114.756 115.700 0.007 0.000 2.428 646 S HA -0.110 4.360 4.470 -0.000 0.000 0.230 646 S C 1.836 176.416 174.600 -0.032 0.000 1.014 646 S CA 0.970 59.171 58.200 0.001 0.000 0.957 646 S CB -0.608 62.610 63.200 0.029 0.000 0.784 646 S HN 0.629 nan 8.310 nan 0.000 0.499 647 E N 1.006 121.175 120.200 -0.052 0.000 2.216 647 E HA 0.136 4.486 4.350 -0.000 0.000 0.192 647 E C 1.879 178.385 176.600 -0.157 0.000 0.988 647 E CA 0.479 56.834 56.400 -0.076 0.000 0.834 647 E CB -0.262 29.407 29.700 -0.052 0.000 0.772 647 E HN 0.493 nan 8.360 nan 0.000 0.479 648 L N 0.923 122.038 121.223 -0.180 0.000 2.083 648 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 648 L C -0.712 176.021 176.870 -0.229 0.000 1.083 648 L CA 1.182 55.894 54.840 -0.214 0.000 0.752 648 L CB -1.273 40.684 42.059 -0.170 0.000 0.899 648 L HN 0.099 nan 8.230 nan 0.000 0.433 649 P HA -0.208 nan 4.420 nan 0.000 0.215 649 P C 1.861 178.805 177.300 -0.592 0.000 1.157 649 P CA 2.064 64.924 63.100 -0.400 0.000 0.874 649 P CB -0.078 31.353 31.700 -0.449 0.000 0.790 650 S N -1.364 113.982 115.700 -0.591 0.000 2.423 650 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 650 S C 1.971 176.479 174.600 -0.153 0.000 1.014 650 S CA 0.906 58.908 58.200 -0.330 0.000 0.965 650 S CB -1.551 61.601 63.200 -0.079 0.000 0.785 650 S HN 0.047 nan 8.310 nan 0.000 0.495 651 I N 1.239 121.703 120.570 -0.177 0.000 2.286 651 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 651 I C 2.420 178.418 176.117 -0.198 0.000 1.104 651 I CA 0.843 62.048 61.300 -0.157 0.000 1.397 651 I CB -0.362 37.496 38.000 -0.237 0.000 1.072 651 I HN 0.207 nan 8.210 nan 0.000 0.417 652 V N 0.494 120.263 119.914 -0.241 0.000 2.358 652 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 652 V C 2.472 178.452 176.094 -0.189 0.000 1.047 652 V CA 1.893 64.000 62.300 -0.322 0.000 1.035 652 V CB -0.729 30.967 31.823 -0.213 0.000 0.658 652 V HN 0.512 nan 8.190 nan 0.000 0.452 653 Q N -0.124 119.626 119.800 -0.084 0.000 2.061 653 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 653 Q C 1.946 177.971 176.000 0.041 0.000 0.984 653 Q CA 2.244 58.066 55.803 0.031 0.000 0.846 653 Q CB -0.153 28.647 28.738 0.103 0.000 0.902 653 Q HN 0.610 nan 8.270 nan 0.000 0.421 654 D N 0.318 120.724 120.400 0.010 0.000 2.144 654 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 654 D C 2.082 178.408 176.300 0.042 0.000 0.978 654 D CA 0.786 54.806 54.000 0.034 0.000 0.833 654 D CB -0.168 40.648 40.800 0.026 0.000 0.961 654 D HN 0.285 nan 8.370 nan 0.000 0.470 655 L N 0.840 122.054 121.223 -0.016 0.000 1.989 655 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 655 L C 2.588 179.574 176.870 0.193 0.000 1.071 655 L CA 1.403 56.266 54.840 0.038 0.000 0.749 655 L CB -0.498 41.410 42.059 -0.253 0.000 0.890 655 L HN -0.026 nan 8.230 nan 0.000 0.431 656 A N 0.043 122.976 122.820 0.188 0.000 1.940 656 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 656 A C 1.827 179.532 177.584 0.203 0.000 1.176 656 A CA 2.202 54.430 52.037 0.319 0.000 0.631 656 A CB -0.851 18.327 19.000 0.297 0.000 0.814 656 A HN 0.620 nan 8.150 nan 0.000 0.446 657 N N -1.148 117.638 118.700 0.144 0.000 2.322 657 N HA 0.289 5.029 4.740 -0.000 0.000 0.194 657 N C 0.890 176.462 175.510 0.104 0.000 1.126 657 N CA 0.296 53.414 53.050 0.114 0.000 0.845 657 N CB 0.178 38.722 38.487 0.095 0.000 0.976 657 N HN 0.599 nan 8.380 nan 0.000 0.475 658 G N 1.416 110.289 108.800 0.122 0.000 2.168 658 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.257 658 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.257 658 G C 0.575 175.527 174.900 0.087 0.000 0.997 658 G CA 0.573 45.739 45.100 0.111 0.000 0.708 658 G HN 0.493 nan 8.290 nan 0.000 0.520 659 N N -0.932 117.816 118.700 0.079 0.000 2.396 659 N HA 0.248 4.988 4.740 -0.000 0.000 0.180 659 N C 0.404 175.950 175.510 0.059 0.000 1.028 659 N CA 0.653 53.740 53.050 0.062 0.000 0.893 659 N CB 0.277 38.797 38.487 0.055 0.000 0.967 659 N HN 0.478 nan 8.380 nan 0.000 0.440 660 I N -0.634 119.978 120.570 0.071 0.000 2.802 660 I HA 0.149 4.319 4.170 -0.000 0.000 0.298 660 I C -0.393 175.787 176.117 0.105 0.000 1.176 660 I CA -0.456 60.885 61.300 0.068 0.000 1.025 660 I CB 2.371 40.400 38.000 0.049 0.000 1.243 660 I HN -0.233 nan 8.210 nan 0.000 0.424 661 T N 3.906 118.521 114.554 0.103 0.000 2.918 661 T HA 0.062 4.412 4.350 -0.000 0.000 0.283 661 T C 0.787 175.605 174.700 0.197 0.000 1.001 661 T CA -0.136 62.058 62.100 0.157 0.000 1.041 661 T CB 1.089 70.030 68.868 0.122 0.000 1.028 661 T HN 0.649 nan 8.240 nan 0.000 0.511 662 W N 1.534 122.885 121.300 0.083 0.000 2.335 662 W HA -0.210 4.449 4.660 -0.000 0.000 0.311 662 W C 2.166 178.723 176.519 0.062 0.000 1.213 662 W CA 1.591 58.985 57.345 0.081 0.000 1.274 662 W CB -0.439 29.078 29.460 0.095 0.000 1.148 662 W HN 0.849 nan 8.180 nan 0.000 0.498 663 A N 0.907 123.794 122.820 0.111 0.000 1.927 663 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 663 A C 1.702 179.239 177.584 -0.079 0.000 1.185 663 A CA 2.370 54.406 52.037 -0.001 0.000 0.639 663 A CB -1.223 17.813 19.000 0.060 0.000 0.820 663 A HN 0.318 nan 8.150 nan 0.000 0.451 664 D N -0.258 120.117 120.400 -0.042 0.000 2.092 664 D HA -0.128 4.512 4.640 -0.000 0.000 0.193 664 D C 2.161 178.395 176.300 -0.110 0.000 0.994 664 D CA 1.734 55.700 54.000 -0.055 0.000 0.828 664 D CB -0.609 40.184 40.800 -0.012 0.000 0.963 664 D HN 0.243 nan 8.370 nan 0.000 0.450 665 V N 1.744 121.561 119.914 -0.163 0.000 2.282 665 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 665 V C 2.359 178.321 176.094 -0.220 0.000 1.057 665 V CA 1.830 64.019 62.300 -0.186 0.000 1.032 665 V CB -0.559 30.966 31.823 -0.497 0.000 0.645 665 V HN 0.232 nan 8.190 nan 0.000 0.447 666 E N 0.238 120.202 120.200 -0.393 0.000 2.110 666 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 666 E C 2.299 178.811 176.600 -0.148 0.000 0.988 666 E CA 1.258 57.493 56.400 -0.274 0.000 0.804 666 E CB -0.322 29.218 29.700 -0.265 0.000 0.745 666 E HN 0.621 nan 8.360 nan 0.000 0.458 667 A N 1.142 123.879 122.820 -0.137 0.000 2.067 667 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 667 A C 1.983 179.472 177.584 -0.158 0.000 1.158 667 A CA 1.121 53.089 52.037 -0.114 0.000 0.661 667 A CB -0.155 18.791 19.000 -0.091 0.000 0.801 667 A HN 0.067 nan 8.150 nan 0.000 0.452 668 R N -2.969 117.393 120.500 -0.230 0.000 2.225 668 R HA 0.251 4.591 4.340 -0.000 0.000 0.194 668 R C -0.600 175.313 176.300 -0.644 0.000 0.957 668 R CA 0.245 56.077 56.100 -0.448 0.000 1.042 668 R CB 0.246 30.196 30.300 -0.583 0.000 1.004 668 R HN 0.550 nan 8.270 nan 0.000 0.509 669 Y N 0.692 120.919 120.300 -0.122 0.000 2.536 669 Y HA 0.368 4.918 4.550 -0.000 0.000 0.347 669 Y C -2.194 173.657 175.900 -0.082 0.000 1.000 669 Y CA -3.213 54.824 58.100 -0.105 0.000 1.051 669 Y CB 1.481 39.858 38.460 -0.138 0.000 1.259 669 Y HN -0.141 nan 8.280 nan 0.000 0.468 670 P HA 0.090 nan 4.420 nan 0.000 0.271 670 P C -0.647 176.724 177.300 0.119 0.000 1.220 670 P CA 0.149 63.305 63.100 0.094 0.000 0.768 670 P CB 0.717 32.480 31.700 0.105 0.000 0.848 671 L N 3.542 124.824 121.223 0.098 0.000 2.467 671 L HA 0.342 4.682 4.340 -0.000 0.000 0.270 671 L C 0.498 177.498 176.870 0.216 0.000 1.205 671 L CA 0.197 55.113 54.840 0.127 0.000 0.828 671 L CB -0.303 41.802 42.059 0.076 0.000 1.101 671 L HN 0.355 nan 8.230 nan 0.000 0.479 672 F N 1.230 121.210 119.950 0.050 0.000 2.608 672 F HA 0.451 4.978 4.527 -0.000 0.000 0.309 672 F C -0.309 175.524 175.800 0.056 0.000 1.103 672 F CA -0.566 57.463 58.000 0.049 0.000 0.954 672 F CB 2.012 41.042 39.000 0.050 0.000 1.267 672 F HN 0.472 nan 8.300 nan 0.000 0.444 673 E N 0.000 119.944 120.200 -0.426 0.000 2.725 673 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 673 E CA 0.000 56.283 56.400 -0.194 0.000 0.976 673 E CB 0.000 29.610 29.700 -0.150 0.000 0.812 673 E HN 0.000 nan 8.360 nan 0.000 0.440