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 2zt7_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 AHYACDCWDA 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 MPFVKELSEA 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 0.000 176.094 176.117 -0.039 0.000 1.063 64 I CA 0.000 61.266 61.300 -0.057 0.000 1.566 64 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 65 V N 2.333 122.221 119.914 -0.043 0.000 2.732 65 V HA 0.424 4.545 4.120 0.002 0.000 0.297 65 V C 0.037 176.100 176.094 -0.051 0.000 1.060 65 V CA 0.122 62.407 62.300 -0.025 0.000 1.038 65 V CB 1.865 33.664 31.823 -0.040 0.000 1.003 65 V HN 0.670 nan 8.190 nan 0.000 0.481 66 D N 4.631 125.012 120.400 -0.032 0.000 2.522 66 D HA 0.198 4.839 4.640 0.002 0.000 0.218 66 D C 1.324 177.538 176.300 -0.143 0.000 1.149 66 D CA 0.064 54.029 54.000 -0.059 0.000 0.981 66 D CB 0.186 40.987 40.800 0.001 0.000 1.041 66 D HN 0.576 nan 8.370 nan 0.000 0.518 67 R N 2.872 123.290 120.500 -0.137 0.000 2.159 67 R HA -0.338 4.003 4.340 0.002 0.000 0.249 67 R C 1.756 177.983 176.300 -0.122 0.000 1.136 67 R CA 2.052 58.078 56.100 -0.124 0.000 0.951 67 R CB -0.316 29.931 30.300 -0.088 0.000 0.876 67 R HN 0.490 nan 8.270 nan 0.000 0.440 68 A N 1.145 123.914 122.820 -0.085 0.000 1.852 68 A HA -0.307 4.014 4.320 0.002 0.000 0.217 68 A C 2.157 179.693 177.584 -0.081 0.000 1.215 68 A CA 2.161 54.163 52.037 -0.058 0.000 0.641 68 A CB -0.849 18.128 19.000 -0.037 0.000 0.838 68 A HN 0.518 nan 8.150 nan 0.000 0.450 69 K N -1.101 119.249 120.400 -0.084 0.000 2.113 69 K HA -0.205 4.116 4.320 0.002 0.000 0.208 69 K C 2.173 178.663 176.600 -0.183 0.000 1.047 69 K CA 1.902 58.155 56.287 -0.056 0.000 0.928 69 K CB -0.239 32.287 32.500 0.044 0.000 0.716 69 K HN 0.618 nan 8.250 nan 0.000 0.446 70 M N 0.823 120.114 119.600 -0.514 0.000 2.064 70 M HA -0.184 4.297 4.480 0.002 0.000 0.260 70 M C 1.554 177.672 176.300 -0.303 0.000 1.073 70 M CA 1.787 56.564 55.300 -0.871 0.000 1.124 70 M CB -0.088 31.820 32.600 -1.153 0.000 1.326 70 M HN 0.134 nan 8.290 nan 0.000 0.410 71 E N 0.414 120.519 120.200 -0.158 0.000 2.171 71 E HA -0.256 4.095 4.350 0.002 0.000 0.197 71 E C 1.404 177.968 176.600 -0.060 0.000 0.997 71 E CA 1.800 58.179 56.400 -0.034 0.000 0.810 71 E CB -0.329 29.394 29.700 0.039 0.000 0.738 71 E HN 0.644 nan 8.360 nan 0.000 0.467 72 D N -0.203 120.169 120.400 -0.048 0.000 2.117 72 D HA -0.097 4.544 4.640 0.002 0.000 0.198 72 D C 1.891 178.206 176.300 0.024 0.000 0.982 72 D CA 1.418 55.409 54.000 -0.015 0.000 0.828 72 D CB -0.175 40.626 40.800 0.002 0.000 0.967 72 D HN 0.041 nan 8.370 nan 0.000 0.464 73 T N 0.299 114.895 114.554 0.071 0.000 2.857 73 T HA -0.008 4.343 4.350 0.002 0.000 0.266 73 T C 2.012 176.858 174.700 0.243 0.000 1.048 73 T CA 0.476 62.690 62.100 0.190 0.000 1.139 73 T CB -0.178 68.890 68.868 0.333 0.000 0.874 73 T HN 0.105 nan 8.240 nan 0.000 0.455 74 L N 0.289 121.602 121.223 0.150 0.000 2.201 74 L HA -0.035 4.306 4.340 0.002 0.000 0.212 74 L C 2.471 179.388 176.870 0.078 0.000 1.105 74 L CA 1.264 56.206 54.840 0.169 0.000 0.775 74 L CB -0.342 41.633 42.059 -0.141 0.000 0.913 74 L HN 0.222 nan 8.230 nan 0.000 0.440 75 K N -0.602 119.750 120.400 -0.080 0.000 2.242 75 K HA -0.040 4.281 4.320 0.002 0.000 0.200 75 K C 2.156 178.753 176.600 -0.005 0.000 1.050 75 K CA 0.214 56.432 56.287 -0.114 0.000 0.981 75 K CB 0.110 32.497 32.500 -0.188 0.000 0.795 75 K HN 0.100 nan 8.250 nan 0.000 0.477 76 R N 1.024 121.538 120.500 0.023 0.000 2.075 76 R HA -0.011 4.330 4.340 0.002 0.000 0.232 76 R C 1.677 178.005 176.300 0.047 0.000 1.126 76 R CA 1.115 57.229 56.100 0.024 0.000 0.963 76 R CB 0.247 30.573 30.300 0.043 0.000 0.858 76 R HN -0.084 nan 8.270 nan 0.000 0.435 77 R N -0.126 120.421 120.500 0.078 0.000 2.310 77 R HA -0.000 4.341 4.340 0.002 0.000 0.202 77 R C -0.031 176.275 176.300 0.010 0.000 0.933 77 R CA -0.037 56.069 56.100 0.011 0.000 1.054 77 R CB -0.630 29.643 30.300 -0.046 0.000 0.985 77 R HN 0.265 nan 8.270 nan 0.000 0.489 78 F N -0.082 119.792 119.950 -0.127 0.000 2.905 78 F HA -0.268 4.260 4.527 0.002 0.000 0.311 78 F C -0.143 175.605 175.800 -0.087 0.000 1.005 78 F CA -0.852 57.085 58.000 -0.106 0.000 1.029 78 F CB -1.903 37.050 39.000 -0.078 0.000 1.151 78 F HN -0.033 nan 8.300 nan 0.000 0.805 79 F N 0.697 120.683 119.950 0.060 0.000 2.187 79 F HA 0.087 4.615 4.527 0.002 0.000 0.295 79 F C 1.260 177.124 175.800 0.108 0.000 1.091 79 F CA 2.133 60.180 58.000 0.079 0.000 1.308 79 F CB -0.200 38.861 39.000 0.101 0.000 1.030 79 F HN 0.353 nan 8.300 nan 0.000 0.487 80 Y N -2.992 117.379 120.300 0.118 0.000 2.725 80 Y HA 0.632 5.183 4.550 0.002 0.000 0.333 80 Y C -1.606 174.388 175.900 0.156 0.000 1.242 80 Y CA -2.020 56.008 58.100 -0.120 0.000 1.059 80 Y CB 1.025 39.198 38.460 -0.478 0.000 1.306 80 Y HN -0.198 nan 8.280 nan 0.000 0.454 81 D N -0.688 119.794 120.400 0.137 0.000 2.764 81 D HA 0.166 4.807 4.640 0.002 0.000 0.293 81 D C -1.767 174.682 176.300 0.247 0.000 1.287 81 D CA -0.626 53.435 54.000 0.103 0.000 0.768 81 D CB 1.732 42.595 40.800 0.106 0.000 1.288 81 D HN 0.758 nan 8.370 nan 0.000 0.426 82 Q N 0.423 120.294 119.800 0.118 0.000 2.300 82 Q HA 0.494 4.835 4.340 0.002 0.000 0.280 82 Q C -0.374 175.575 176.000 -0.085 0.000 1.033 82 Q CA -0.019 55.756 55.803 -0.047 0.000 0.903 82 Q CB 0.893 29.607 28.738 -0.040 0.000 1.195 82 Q HN 0.390 nan 8.270 nan 0.000 0.386 83 A N 2.793 125.502 122.820 -0.185 0.000 2.363 83 A HA 0.398 4.719 4.320 0.002 0.000 0.270 83 A C -0.387 177.073 177.584 -0.207 0.000 1.121 83 A CA -0.397 51.435 52.037 -0.341 0.000 0.800 83 A CB -0.233 18.507 19.000 -0.433 0.000 1.052 83 A HN 0.828 nan 8.150 nan 0.000 0.493 84 F N -0.318 119.637 119.950 0.008 0.000 3.039 84 F HA -0.302 4.226 4.527 0.002 0.000 0.287 84 F C 1.557 177.409 175.800 0.086 0.000 0.956 84 F CA 0.412 58.429 58.000 0.029 0.000 0.971 84 F CB -1.880 37.096 39.000 -0.041 0.000 0.943 84 F HN 0.751 nan 8.300 nan 0.000 0.766 85 A N 1.277 124.180 122.820 0.138 0.000 1.873 85 A HA -0.108 4.213 4.320 0.002 0.000 0.215 85 A C 2.063 179.724 177.584 0.127 0.000 1.186 85 A CA 1.576 53.672 52.037 0.097 0.000 0.616 85 A CB -0.523 18.489 19.000 0.021 0.000 0.823 85 A HN 0.836 nan 8.150 nan 0.000 0.442 86 I N -4.801 115.862 120.570 0.155 0.000 3.164 86 I HA -0.086 4.085 4.170 0.002 0.000 0.278 86 I C 1.152 177.297 176.117 0.046 0.000 1.320 86 I CA 1.265 62.619 61.300 0.090 0.000 1.422 86 I CB -0.320 37.723 38.000 0.072 0.000 1.066 86 I HN 0.251 nan 8.210 nan 0.000 0.503 87 Y N 1.603 121.946 120.300 0.072 0.000 2.584 87 Y HA 0.456 5.007 4.550 0.002 0.000 0.254 87 Y C 1.748 177.675 175.900 0.045 0.000 1.177 87 Y CA 0.087 58.223 58.100 0.060 0.000 1.216 87 Y CB 0.895 39.403 38.460 0.079 0.000 1.172 87 Y HN 0.357 nan 8.280 nan 0.000 0.529 88 G N -0.693 108.198 108.800 0.152 0.000 2.234 88 G HA2 -0.028 3.933 3.960 0.002 0.000 0.235 88 G HA3 -0.028 3.933 3.960 0.002 0.000 0.235 88 G C 0.746 175.706 174.900 0.100 0.000 0.997 88 G CA -0.022 45.136 45.100 0.097 0.000 0.623 88 G HN 1.102 nan 8.290 nan 0.000 0.514 89 G N -2.156 106.736 108.800 0.153 0.000 2.829 89 G HA2 0.292 4.253 3.960 0.002 0.000 0.628 89 G HA3 0.292 4.253 3.960 0.002 0.000 0.628 89 G C -0.459 174.501 174.900 0.100 0.000 1.412 89 G CA 0.067 45.244 45.100 0.129 0.000 0.864 89 G HN 1.645 nan 8.290 nan 0.000 0.544 90 V N 0.452 120.412 119.914 0.078 0.000 2.686 90 V HA 0.660 4.781 4.120 0.002 0.000 0.306 90 V C 0.691 176.778 176.094 -0.011 0.000 1.065 90 V CA -0.164 62.168 62.300 0.054 0.000 0.894 90 V CB 1.888 33.768 31.823 0.094 0.000 1.004 90 V HN 1.816 nan 8.190 nan 0.000 0.424 91 S N 2.430 118.141 115.700 0.017 0.000 2.533 91 S HA 0.503 4.974 4.470 0.002 0.000 0.282 91 S C 1.204 175.844 174.600 0.066 0.000 1.304 91 S CA 0.460 58.676 58.200 0.027 0.000 1.063 91 S CB 0.875 64.114 63.200 0.065 0.000 0.881 91 S HN 2.370 nan 8.310 nan 0.000 0.493 92 G N 1.953 110.810 108.800 0.095 0.000 2.175 92 G HA2 -0.198 3.763 3.960 0.002 0.000 0.244 92 G HA3 -0.198 3.763 3.960 0.002 0.000 0.244 92 G C -0.214 174.803 174.900 0.195 0.000 0.982 92 G CA 0.067 45.291 45.100 0.206 0.000 0.641 92 G HN 0.771 nan 8.290 nan 0.000 0.527 93 L N 0.201 121.397 121.223 -0.045 0.000 2.349 93 L HA 0.745 5.086 4.340 0.002 0.000 0.278 93 L C -0.587 176.082 176.870 -0.336 0.000 0.996 93 L CA -1.196 53.638 54.840 -0.010 0.000 0.825 93 L CB 1.435 43.569 42.059 0.124 0.000 1.243 93 L HN 0.107 nan 8.230 nan 0.000 0.412 94 Y N 0.532 120.855 120.300 0.038 0.000 2.553 94 Y HA 0.469 5.020 4.550 0.002 0.000 0.347 94 Y C -0.414 175.421 175.900 -0.109 0.000 1.019 94 Y CA -1.163 56.913 58.100 -0.040 0.000 1.032 94 Y CB 1.931 40.345 38.460 -0.076 0.000 1.284 94 Y HN 0.435 nan 8.280 nan 0.000 0.466 95 D N 1.048 121.462 120.400 0.024 0.000 2.272 95 D HA 0.432 5.073 4.640 0.002 0.000 0.247 95 D C -1.298 174.923 176.300 -0.131 0.000 0.990 95 D CA -0.277 53.742 54.000 0.032 0.000 0.931 95 D CB 1.810 42.652 40.800 0.070 0.000 1.195 95 D HN 0.206 nan 8.370 nan 0.000 0.477 96 F N 0.236 120.195 119.950 0.015 0.000 2.458 96 F HA 0.466 4.995 4.527 0.002 0.000 0.336 96 F C 1.169 176.669 175.800 -0.500 0.000 1.114 96 F CA -0.700 57.230 58.000 -0.117 0.000 0.987 96 F CB 1.759 40.744 39.000 -0.025 0.000 1.130 96 F HN 0.217 nan 8.300 nan 0.000 0.458 97 G N 2.624 110.841 108.800 -0.973 0.000 2.563 97 G HA2 0.347 4.308 3.960 0.002 0.000 0.283 97 G HA3 0.347 4.308 3.960 0.002 0.000 0.283 97 G C -1.978 172.637 174.900 -0.475 0.000 1.309 97 G CA -1.397 42.805 45.100 -1.496 0.000 1.022 97 G HN 0.389 nan 8.290 nan 0.000 0.501 98 P HA -0.189 nan 4.420 nan 0.000 0.216 98 P C 2.260 179.516 177.300 -0.074 0.000 1.167 98 P CA 2.598 65.642 63.100 -0.092 0.000 0.914 98 P CB -0.178 31.509 31.700 -0.021 0.000 0.793 99 V N -2.663 117.166 119.914 -0.142 0.000 2.407 99 V HA -0.148 3.973 4.120 0.002 0.000 0.248 99 V C 2.335 178.452 176.094 0.039 0.000 1.055 99 V CA 2.325 64.534 62.300 -0.152 0.000 1.049 99 V CB -2.315 29.157 31.823 -0.584 0.000 0.662 99 V HN 0.142 nan 8.190 nan 0.000 0.455 100 G N -0.750 108.102 108.800 0.087 0.000 2.421 100 G HA2 -0.242 3.719 3.960 0.002 0.000 0.216 100 G HA3 -0.242 3.719 3.960 0.002 0.000 0.216 100 G C 1.627 176.638 174.900 0.186 0.000 1.171 100 G CA 1.389 46.719 45.100 0.384 0.000 0.775 100 G HN 0.577 nan 8.290 nan 0.000 0.543 101 C N 0.925 120.264 119.300 0.066 0.000 2.425 101 C HA 0.175 4.636 4.460 0.002 0.000 0.277 101 C C 3.541 178.528 174.990 -0.005 0.000 1.280 101 C CA 0.781 59.793 59.018 -0.011 0.000 1.744 101 C CB -0.972 26.756 27.740 -0.020 0.000 1.989 101 C HN 0.573 nan 8.230 nan 0.000 0.491 102 A N 0.217 123.057 122.820 0.032 0.000 1.902 102 A HA -0.143 4.178 4.320 0.002 0.000 0.217 102 A C 2.041 179.644 177.584 0.030 0.000 1.181 102 A CA 1.779 53.844 52.037 0.048 0.000 0.623 102 A CB -0.630 18.425 19.000 0.092 0.000 0.818 102 A HN 0.504 nan 8.150 nan 0.000 0.443 103 L N -0.258 120.991 121.223 0.043 0.000 2.109 103 L HA -0.005 4.336 4.340 0.002 0.000 0.207 103 L C 2.170 178.978 176.870 -0.104 0.000 1.086 103 L CA 2.514 57.328 54.840 -0.043 0.000 0.760 103 L CB -0.576 41.468 42.059 -0.025 0.000 0.910 103 L HN 0.426 nan 8.230 nan 0.000 0.437 104 K N -0.717 119.630 120.400 -0.088 0.000 2.097 104 K HA -0.141 4.180 4.320 0.002 0.000 0.205 104 K C 1.743 178.268 176.600 -0.125 0.000 1.050 104 K CA 1.424 57.612 56.287 -0.165 0.000 0.938 104 K CB -0.013 32.326 32.500 -0.269 0.000 0.718 104 K HN 0.399 nan 8.250 nan 0.000 0.442 105 N N 0.809 119.462 118.700 -0.079 0.000 2.270 105 N HA -0.095 4.646 4.740 0.002 0.000 0.181 105 N C 1.154 176.656 175.510 -0.013 0.000 1.016 105 N CA 1.029 54.053 53.050 -0.045 0.000 0.870 105 N CB -0.320 38.153 38.487 -0.023 0.000 0.979 105 N HN 0.355 nan 8.380 nan 0.000 0.431 106 N N 0.736 119.427 118.700 -0.016 0.000 2.188 106 N HA 0.040 4.781 4.740 0.002 0.000 0.184 106 N C 1.726 177.246 175.510 0.017 0.000 1.018 106 N CA 0.454 53.506 53.050 0.004 0.000 0.858 106 N CB 0.103 38.580 38.487 -0.016 0.000 0.989 106 N HN 0.148 nan 8.380 nan 0.000 0.426 107 I N 1.232 121.789 120.570 -0.021 0.000 2.252 107 I HA -0.236 3.935 4.170 0.002 0.000 0.245 107 I C 1.979 178.187 176.117 0.151 0.000 1.102 107 I CA 1.073 62.394 61.300 0.034 0.000 1.385 107 I CB -0.169 37.796 38.000 -0.058 0.000 1.064 107 I HN 0.146 nan 8.210 nan 0.000 0.414 108 I N 0.037 120.639 120.570 0.053 0.000 2.315 108 I HA -0.290 3.881 4.170 0.002 0.000 0.248 108 I C 2.569 178.781 176.117 0.159 0.000 1.117 108 I CA 1.132 62.467 61.300 0.058 0.000 1.404 108 I CB -0.371 37.606 38.000 -0.039 0.000 1.071 108 I HN 0.263 nan 8.210 nan 0.000 0.419 109 Q N 0.797 120.669 119.800 0.120 0.000 2.119 109 Q HA -0.138 4.203 4.340 0.002 0.000 0.201 109 Q C 2.173 178.276 176.000 0.171 0.000 0.972 109 Q CA 2.000 57.878 55.803 0.125 0.000 0.847 109 Q CB -0.388 28.400 28.738 0.085 0.000 0.903 109 Q HN 0.376 nan 8.270 nan 0.000 0.433 110 T N -0.717 113.963 114.554 0.210 0.000 2.788 110 T HA -0.155 4.196 4.350 0.002 0.000 0.268 110 T C 1.018 175.951 174.700 0.388 0.000 1.044 110 T CA 1.180 63.443 62.100 0.271 0.000 1.139 110 T CB -0.460 68.564 68.868 0.260 0.000 0.867 110 T HN 0.516 nan 8.240 nan 0.000 0.454 111 W N 2.112 123.520 121.300 0.180 0.000 2.381 111 W HA -0.017 4.644 4.660 0.002 0.000 0.301 111 W C 2.377 178.896 176.519 -0.000 0.000 1.205 111 W CA 0.719 57.982 57.345 -0.136 0.000 1.285 111 W CB -0.122 29.086 29.460 -0.420 0.000 1.133 111 W HN 0.042 nan 8.180 nan 0.000 0.521 112 R N -0.329 120.314 120.500 0.238 0.000 2.091 112 R HA -0.216 4.125 4.340 0.002 0.000 0.238 112 R C 2.321 178.609 176.300 -0.020 0.000 1.136 112 R CA 1.748 57.910 56.100 0.103 0.000 0.959 112 R CB -0.613 29.780 30.300 0.154 0.000 0.856 112 R HN 0.210 nan 8.270 nan 0.000 0.437 113 Q N -0.583 119.238 119.800 0.034 0.000 2.079 113 Q HA -0.173 4.168 4.340 0.002 0.000 0.200 113 Q C 1.930 177.893 176.000 -0.062 0.000 0.974 113 Q CA 1.550 57.359 55.803 0.010 0.000 0.840 113 Q CB -0.306 28.467 28.738 0.058 0.000 0.898 113 Q HN 0.507 nan 8.270 nan 0.000 0.430 114 H N -0.954 118.007 119.070 -0.181 0.000 2.389 114 H HA -0.069 4.488 4.556 0.002 0.000 0.299 114 H C 0.968 175.874 175.328 -0.704 0.000 1.081 114 H CA 1.655 57.474 56.048 -0.381 0.000 1.345 114 H CB 0.193 29.755 29.762 -0.334 0.000 1.393 114 H HN 0.107 nan 8.280 nan 0.000 0.520 115 F N -1.572 118.056 119.950 -0.537 0.000 2.539 115 F HA 0.175 4.703 4.527 0.002 0.000 0.277 115 F C 2.193 177.774 175.800 -0.365 0.000 0.925 115 F CA -0.006 57.660 58.000 -0.558 0.000 1.193 115 F CB -0.443 37.910 39.000 -1.078 0.000 1.128 115 F HN -0.050 nan 8.300 nan 0.000 0.740 116 I N 0.344 120.779 120.570 -0.225 0.000 2.151 116 I HA -0.318 3.853 4.170 0.002 0.000 0.243 116 I C 2.457 178.561 176.117 -0.023 0.000 1.080 116 I CA 1.719 62.975 61.300 -0.073 0.000 1.339 116 I CB -0.362 37.623 38.000 -0.026 0.000 1.039 116 I HN 0.239 nan 8.210 nan 0.000 0.409 117 Q N 0.919 120.692 119.800 -0.045 0.000 2.083 117 Q HA -0.231 4.110 4.340 0.002 0.000 0.198 117 Q C 1.959 177.940 176.000 -0.031 0.000 0.969 117 Q CA 1.694 57.484 55.803 -0.021 0.000 0.838 117 Q CB -0.108 28.619 28.738 -0.018 0.000 0.900 117 Q HN 0.338 nan 8.270 nan 0.000 0.436 118 E N 0.070 120.220 120.200 -0.083 0.000 2.106 118 E HA -0.146 4.205 4.350 0.002 0.000 0.192 118 E C 0.734 177.326 176.600 -0.013 0.000 0.984 118 E CA 1.380 57.724 56.400 -0.092 0.000 0.806 118 E CB 0.099 29.659 29.700 -0.233 0.000 0.750 118 E HN 0.331 nan 8.360 nan 0.000 0.458 119 E N 0.295 120.514 120.200 0.032 0.000 2.476 119 E HA 0.047 4.398 4.350 0.002 0.000 0.196 119 E C -0.217 176.455 176.600 0.119 0.000 1.029 119 E CA -0.072 56.405 56.400 0.130 0.000 0.896 119 E CB 0.512 30.366 29.700 0.256 0.000 1.012 119 E HN 0.170 nan 8.360 nan 0.000 0.475 120 Q N 0.269 120.113 119.800 0.074 0.000 2.439 120 Q HA -0.201 4.140 4.340 0.002 0.000 0.325 120 Q C -0.044 176.019 176.000 0.105 0.000 1.372 120 Q CA 0.712 56.561 55.803 0.076 0.000 0.909 120 Q CB -2.263 26.519 28.738 0.073 0.000 1.167 120 Q HN 0.470 nan 8.270 nan 0.000 0.418 121 I N 0.556 121.189 120.570 0.105 0.000 2.575 121 I HA 0.100 4.271 4.170 0.002 0.000 0.285 121 I C 1.272 177.448 176.117 0.098 0.000 1.085 121 I CA -0.483 60.893 61.300 0.127 0.000 1.403 121 I CB 0.526 38.600 38.000 0.123 0.000 1.409 121 I HN 0.116 nan 8.210 nan 0.000 0.557 122 L N 5.278 126.564 121.223 0.105 0.000 2.436 122 L HA 0.311 4.652 4.340 0.002 0.000 0.265 122 L C 0.248 177.128 176.870 0.018 0.000 1.168 122 L CA 0.017 54.873 54.840 0.027 0.000 0.815 122 L CB 0.537 42.574 42.059 -0.037 0.000 1.109 122 L HN 0.635 nan 8.230 nan 0.000 0.462 123 E N 3.392 123.577 120.200 -0.026 0.000 2.248 123 E HA 0.634 4.986 4.350 0.002 0.000 0.267 123 E C -1.367 175.201 176.600 -0.054 0.000 0.877 123 E CA -0.665 55.728 56.400 -0.011 0.000 0.759 123 E CB 2.116 31.827 29.700 0.018 0.000 1.182 123 E HN 0.543 nan 8.360 nan 0.000 0.418 124 I N -0.000 120.543 120.570 -0.045 0.000 2.969 124 I HA 0.656 4.827 4.170 0.002 0.000 0.307 124 I C -1.427 174.662 176.117 -0.047 0.000 1.149 124 I CA -0.963 60.301 61.300 -0.059 0.000 1.008 124 I CB 2.480 40.437 38.000 -0.072 0.000 1.232 124 I HN 0.368 nan 8.210 nan 0.000 0.435 125 D N 3.578 123.951 120.400 -0.044 0.000 2.389 125 D HA 0.499 5.140 4.640 0.002 0.000 0.256 125 D C -1.001 175.274 176.300 -0.041 0.000 1.239 125 D CA -0.030 53.945 54.000 -0.043 0.000 0.925 125 D CB 1.264 42.044 40.800 -0.033 0.000 1.145 125 D HN 0.790 nan 8.370 nan 0.000 0.542 126 C N 1.473 120.744 119.300 -0.048 0.000 2.347 126 C HA 0.717 5.178 4.460 0.002 0.000 0.366 126 C C 1.022 175.991 174.990 -0.036 0.000 1.241 126 C CA -0.712 58.280 59.018 -0.043 0.000 2.360 126 C CB 0.897 28.604 27.740 -0.054 0.000 2.290 126 C HN 0.718 nan 8.230 nan 0.000 0.587 127 T N -0.557 113.979 114.554 -0.031 0.000 2.860 127 T HA 0.245 4.596 4.350 0.002 0.000 0.299 127 T C 0.691 175.378 174.700 -0.022 0.000 1.045 127 T CA -0.160 61.926 62.100 -0.024 0.000 1.071 127 T CB 0.404 69.257 68.868 -0.026 0.000 0.985 127 T HN 0.607 nan 8.240 nan 0.000 0.537 128 M N 0.324 119.918 119.600 -0.011 0.000 2.447 128 M HA 0.254 4.735 4.480 0.002 0.000 0.266 128 M C 0.469 176.733 176.300 -0.060 0.000 1.120 128 M CA 0.477 55.779 55.300 0.003 0.000 1.166 128 M CB -0.072 32.578 32.600 0.085 0.000 1.349 128 M HN 0.460 nan 8.290 nan 0.000 0.463 129 L N 1.192 122.368 121.223 -0.078 0.000 2.416 129 L HA 0.124 4.465 4.340 0.002 0.000 0.272 129 L C -0.325 176.513 176.870 -0.053 0.000 1.161 129 L CA 0.187 54.973 54.840 -0.090 0.000 0.845 129 L CB 0.463 42.471 42.059 -0.085 0.000 1.119 129 L HN 0.061 nan 8.230 nan 0.000 0.464 130 T N 3.614 118.145 114.554 -0.039 0.000 2.921 130 T HA 0.376 4.727 4.350 0.002 0.000 0.297 130 T C -2.629 172.061 174.700 -0.016 0.000 1.013 130 T CA -1.079 61.014 62.100 -0.010 0.000 0.990 130 T CB 2.176 71.054 68.868 0.018 0.000 1.023 130 T HN 0.357 nan 8.240 nan 0.000 0.447 131 P HA 0.176 nan 4.420 nan 0.000 0.276 131 P C 0.799 178.098 177.300 -0.000 0.000 1.235 131 P CA -0.106 62.969 63.100 -0.042 0.000 0.772 131 P CB 1.220 32.907 31.700 -0.022 0.000 0.871 132 E N 4.648 124.806 120.200 -0.070 0.000 2.149 132 E HA -0.247 4.105 4.350 0.002 0.000 0.215 132 E C -0.903 175.769 176.600 0.121 0.000 1.055 132 E CA 2.417 58.840 56.400 0.038 0.000 0.870 132 E CB -1.434 28.199 29.700 -0.111 0.000 0.764 132 E HN 0.380 nan 8.360 nan 0.000 0.463 133 P HA -0.202 nan 4.420 nan 0.000 0.217 133 P C 1.430 178.798 177.300 0.113 0.000 1.151 133 P CA 1.567 64.714 63.100 0.078 0.000 0.849 133 P CB 0.015 31.747 31.700 0.054 0.000 0.787 134 V N -0.945 119.044 119.914 0.124 0.000 2.343 134 V HA -0.207 3.914 4.120 0.002 0.000 0.247 134 V C 2.329 178.545 176.094 0.204 0.000 1.051 134 V CA 1.665 64.073 62.300 0.181 0.000 1.036 134 V CB -1.141 30.756 31.823 0.123 0.000 0.654 134 V HN 0.101 nan 8.190 nan 0.000 0.451 135 L N -0.296 121.017 121.223 0.149 0.000 2.395 135 L HA -0.045 4.296 4.340 0.002 0.000 0.218 135 L C 2.427 179.372 176.870 0.125 0.000 1.130 135 L CA 0.788 55.688 54.840 0.100 0.000 0.826 135 L CB -0.382 41.694 42.059 0.028 0.000 0.941 135 L HN 0.275 nan 8.230 nan 0.000 0.451 136 K N 0.258 120.736 120.400 0.129 0.000 2.103 136 K HA -0.075 4.246 4.320 0.002 0.000 0.204 136 K C 1.868 178.514 176.600 0.075 0.000 1.052 136 K CA 1.550 57.896 56.287 0.098 0.000 0.945 136 K CB -0.310 32.246 32.500 0.094 0.000 0.722 136 K HN 0.020 nan 8.250 nan 0.000 0.443 137 T N 0.039 114.628 114.554 0.059 0.000 2.995 137 T HA -0.078 4.273 4.350 0.002 0.000 0.269 137 T C 1.629 176.283 174.700 -0.078 0.000 1.091 137 T CA 1.312 63.391 62.100 -0.035 0.000 1.128 137 T CB -0.268 68.555 68.868 -0.075 0.000 0.891 137 T HN 0.469 nan 8.240 nan 0.000 0.492 138 S N 0.344 116.087 115.700 0.071 0.000 2.496 138 S HA 0.327 4.798 4.470 0.002 0.000 0.224 138 S C 1.912 176.834 174.600 0.535 0.000 0.996 138 S CA 0.574 58.943 58.200 0.282 0.000 0.927 138 S CB -0.195 63.251 63.200 0.410 0.000 0.774 138 S HN 0.655 nan 8.310 nan 0.000 0.524 139 G N 0.595 109.580 108.800 0.309 0.000 2.157 139 G HA2 -0.264 3.697 3.960 0.002 0.000 0.239 139 G HA3 -0.264 3.697 3.960 0.002 0.000 0.239 139 G C 0.365 175.130 174.900 -0.225 0.000 0.982 139 G CA 0.470 45.658 45.100 0.146 0.000 0.650 139 G HN 0.613 nan 8.290 nan 0.000 0.527 140 H N -0.255 118.742 119.070 -0.122 0.000 2.403 140 H HA 0.214 4.771 4.556 0.002 0.000 0.298 140 H C 2.624 177.852 175.328 -0.167 0.000 1.059 140 H CA 1.467 57.402 56.048 -0.189 0.000 1.363 140 H CB 0.063 29.725 29.762 -0.167 0.000 1.410 140 H HN 0.330 nan 8.280 nan 0.000 0.528 141 V N 0.775 120.669 119.914 -0.034 0.000 3.241 141 V HA -0.135 3.986 4.120 0.002 0.000 0.269 141 V C 0.836 176.886 176.094 -0.074 0.000 1.151 141 V CA 1.607 63.853 62.300 -0.090 0.000 1.158 141 V CB -0.194 31.630 31.823 0.000 0.000 0.764 141 V HN 0.457 nan 8.190 nan 0.000 0.508 142 D N -0.625 119.717 120.400 -0.096 0.000 2.753 142 D HA 0.100 4.741 4.640 0.002 0.000 0.291 142 D C 1.782 177.992 176.300 -0.151 0.000 1.075 142 D CA 0.342 54.284 54.000 -0.097 0.000 0.946 142 D CB 0.139 40.904 40.800 -0.059 0.000 1.376 142 D HN 0.274 nan 8.370 nan 0.000 0.482 143 K N -0.264 119.977 120.400 -0.265 0.000 2.358 143 K HA 0.221 4.543 4.320 0.002 0.000 0.200 143 K C -0.134 176.284 176.600 -0.302 0.000 1.030 143 K CA -0.292 55.816 56.287 -0.298 0.000 1.097 143 K CB 0.270 32.581 32.500 -0.316 0.000 0.862 143 K HN -0.044 nan 8.250 nan 0.000 0.534 144 F N 1.929 121.610 119.950 -0.447 0.000 2.451 144 F HA 0.530 5.059 4.527 0.002 0.000 0.356 144 F C -0.221 175.425 175.800 -0.257 0.000 1.178 144 F CA -0.974 56.834 58.000 -0.321 0.000 1.210 144 F CB -0.296 38.561 39.000 -0.239 0.000 1.504 144 F HN 0.013 nan 8.300 nan 0.000 0.598 145 A N 3.468 125.948 122.820 -0.567 0.000 2.581 145 A HA 0.659 4.980 4.320 0.002 0.000 0.290 145 A C -1.763 175.512 177.584 -0.515 0.000 1.119 145 A CA -0.843 50.877 52.037 -0.528 0.000 0.670 145 A CB 1.190 19.976 19.000 -0.357 0.000 1.280 145 A HN 0.326 nan 8.150 nan 0.000 0.425 146 D N -0.308 119.875 120.400 -0.363 0.000 2.575 146 D HA 0.580 5.221 4.640 0.002 0.000 0.236 146 D C -1.172 175.003 176.300 -0.209 0.000 1.075 146 D CA 0.026 53.825 54.000 -0.334 0.000 0.860 146 D CB 1.168 41.850 40.800 -0.196 0.000 1.475 146 D HN 0.340 nan 8.370 nan 0.000 0.474 147 F N 1.588 121.511 119.950 -0.046 0.000 2.506 147 F HA 0.199 4.727 4.527 0.002 0.000 0.371 147 F C 0.952 176.721 175.800 -0.052 0.000 1.078 147 F CA -0.230 57.750 58.000 -0.035 0.000 1.195 147 F CB 0.635 39.622 39.000 -0.021 0.000 1.099 147 F HN -0.011 nan 8.300 nan 0.000 0.548 148 M N 6.167 125.844 119.600 0.129 0.000 2.436 148 M HA 0.715 5.196 4.480 0.002 0.000 0.331 148 M C -1.386 174.872 176.300 -0.070 0.000 1.135 148 M CA -0.774 54.514 55.300 -0.020 0.000 0.987 148 M CB 1.682 34.190 32.600 -0.153 0.000 1.687 148 M HN 0.399 nan 8.290 nan 0.000 0.445 149 V N 1.594 121.459 119.914 -0.081 0.000 3.040 149 V HA 0.856 4.977 4.120 0.002 0.000 0.312 149 V C -1.612 174.468 176.094 -0.024 0.000 1.115 149 V CA -0.779 61.453 62.300 -0.114 0.000 0.998 149 V CB 2.030 33.702 31.823 -0.251 0.000 1.042 149 V HN 0.996 nan 8.190 nan 0.000 0.433 150 K N 0.825 121.210 120.400 -0.026 0.000 2.557 150 K HA 0.443 4.764 4.320 0.002 0.000 0.261 150 K C -1.504 175.116 176.600 0.032 0.000 0.932 150 K CA -0.635 55.647 56.287 -0.008 0.000 0.829 150 K CB 2.243 34.670 32.500 -0.121 0.000 1.358 150 K HN 0.880 nan 8.250 nan 0.000 0.430 151 D N 2.086 122.543 120.400 0.095 0.000 2.414 151 D HA -0.020 4.621 4.640 0.002 0.000 0.242 151 D C 1.028 177.342 176.300 0.024 0.000 1.129 151 D CA -0.458 53.587 54.000 0.074 0.000 0.885 151 D CB 1.399 42.268 40.800 0.114 0.000 1.198 151 D HN 0.274 nan 8.370 nan 0.000 0.437 152 V N 1.978 121.901 119.914 0.014 0.000 2.720 152 V HA -0.236 3.885 4.120 0.002 0.000 0.256 152 V C 2.300 178.397 176.094 0.004 0.000 1.082 152 V CA 1.211 63.512 62.300 0.002 0.000 1.101 152 V CB -0.678 31.145 31.823 0.000 0.000 0.693 152 V HN 0.505 nan 8.190 nan 0.000 0.479 153 K N 1.701 122.109 120.400 0.014 0.000 1.973 153 K HA -0.061 4.261 4.320 0.002 0.000 0.212 153 K C 1.008 177.612 176.600 0.005 0.000 1.047 153 K CA 1.668 57.963 56.287 0.013 0.000 0.937 153 K CB -0.458 32.056 32.500 0.023 0.000 0.721 153 K HN 0.848 nan 8.250 nan 0.000 0.440 154 N N -2.110 116.593 118.700 0.005 0.000 3.002 154 N HA 0.302 5.043 4.740 0.002 0.000 0.331 154 N C 1.260 176.751 175.510 -0.033 0.000 1.384 154 N CA -0.344 52.700 53.050 -0.010 0.000 0.780 154 N CB 0.920 39.405 38.487 -0.004 0.000 1.492 154 N HN -0.085 nan 8.380 nan 0.000 0.608 155 G N -0.133 108.636 108.800 -0.053 0.000 2.524 155 G HA2 -0.186 3.775 3.960 0.002 0.000 0.215 155 G HA3 -0.186 3.775 3.960 0.002 0.000 0.215 155 G C 0.131 174.938 174.900 -0.155 0.000 1.239 155 G CA 0.517 45.563 45.100 -0.090 0.000 0.798 155 G HN 0.694 nan 8.290 nan 0.000 0.557 156 E N -0.051 120.032 120.200 -0.195 0.000 0.704 156 E HA -0.164 4.187 4.350 0.002 0.000 0.351 156 E C -0.013 176.196 176.600 -0.651 0.000 0.925 156 E CA 0.398 56.563 56.400 -0.391 0.000 1.318 156 E CB -0.980 28.562 29.700 -0.263 0.000 0.430 156 E HN 0.303 nan 8.360 nan 0.000 0.355 157 C N 4.064 122.937 119.300 -0.712 0.000 2.370 157 C HA 0.727 5.189 4.460 0.002 0.000 0.354 157 C C 0.174 174.627 174.990 -0.895 0.000 1.218 157 C CA -0.577 58.053 59.018 -0.648 0.000 2.154 157 C CB 0.120 27.580 27.740 -0.466 0.000 2.391 157 C HN 0.467 nan 8.230 nan 0.000 0.540 158 F N 0.251 120.144 119.950 -0.095 0.000 2.601 158 F HA 0.497 5.025 4.527 0.002 0.000 0.309 158 F C 0.138 175.908 175.800 -0.049 0.000 1.089 158 F CA -0.895 57.079 58.000 -0.042 0.000 0.940 158 F CB 1.105 40.112 39.000 0.013 0.000 1.273 158 F HN 0.454 nan 8.300 nan 0.000 0.450 159 R N 1.796 122.398 120.500 0.171 0.000 2.272 159 R HA 0.523 4.864 4.340 0.002 0.000 0.334 159 R C 0.900 177.290 176.300 0.149 0.000 1.117 159 R CA 0.314 56.447 56.100 0.055 0.000 0.966 159 R CB 0.658 30.895 30.300 -0.105 0.000 1.049 159 R HN 0.925 nan 8.270 nan 0.000 0.477 160 A N 4.083 127.014 122.820 0.184 0.000 1.896 160 A HA -0.327 3.995 4.320 0.002 0.000 0.220 160 A C 1.741 179.569 177.584 0.408 0.000 1.206 160 A CA 2.230 54.486 52.037 0.364 0.000 0.647 160 A CB -0.731 18.370 19.000 0.169 0.000 0.828 160 A HN 0.964 nan 8.150 nan 0.000 0.455 161 D N -1.391 119.165 120.400 0.259 0.000 2.160 161 D HA -0.241 4.400 4.640 0.002 0.000 0.189 161 D C 1.701 178.156 176.300 0.257 0.000 1.003 161 D CA 2.307 56.434 54.000 0.212 0.000 0.846 161 D CB -0.337 40.502 40.800 0.064 0.000 0.949 161 D HN 0.783 nan 8.370 nan 0.000 0.446 162 H N -0.792 118.351 119.070 0.122 0.000 2.372 162 H HA 0.059 4.616 4.556 0.002 0.000 0.301 162 H C 2.335 177.705 175.328 0.071 0.000 1.065 162 H CA 0.343 56.440 56.048 0.082 0.000 1.364 162 H CB 0.078 29.887 29.762 0.078 0.000 1.406 162 H HN 0.117 nan 8.280 nan 0.000 0.521 163 L N 1.181 122.547 121.223 0.237 0.000 2.013 163 L HA -0.217 4.124 4.340 0.002 0.000 0.212 163 L C 2.402 179.292 176.870 0.032 0.000 1.073 163 L CA 0.950 55.866 54.840 0.128 0.000 0.753 163 L CB -0.243 41.919 42.059 0.172 0.000 0.890 163 L HN 0.347 nan 8.230 nan 0.000 0.432 164 L N 0.305 121.504 121.223 -0.040 0.000 2.127 164 L HA -0.280 4.061 4.340 0.002 0.000 0.211 164 L C 2.416 179.220 176.870 -0.110 0.000 1.089 164 L CA 2.047 56.724 54.840 -0.271 0.000 0.757 164 L CB -0.835 40.964 42.059 -0.432 0.000 0.899 164 L HN 0.416 nan 8.230 nan 0.000 0.434 165 K N -0.377 120.014 120.400 -0.015 0.000 2.155 165 K HA -0.085 4.236 4.320 0.002 0.000 0.203 165 K C 1.914 178.505 176.600 -0.014 0.000 1.052 165 K CA 1.130 57.411 56.287 -0.011 0.000 0.948 165 K CB 0.047 32.564 32.500 0.029 0.000 0.728 165 K HN 0.384 nan 8.250 nan 0.000 0.448 166 A N -0.204 122.623 122.820 0.012 0.000 2.016 166 A HA -0.118 4.203 4.320 0.002 0.000 0.217 166 A C 1.774 179.363 177.584 0.008 0.000 1.162 166 A CA 1.236 53.277 52.037 0.006 0.000 0.662 166 A CB -0.587 18.425 19.000 0.020 0.000 0.812 166 A HN 0.482 nan 8.150 nan 0.000 0.450 167 H N 0.198 119.210 119.070 -0.096 0.000 2.333 167 H HA 0.085 4.642 4.556 0.002 0.000 0.302 167 H C 1.706 176.977 175.328 -0.094 0.000 1.075 167 H CA 1.782 57.769 56.048 -0.101 0.000 1.348 167 H CB -0.193 29.482 29.762 -0.146 0.000 1.393 167 H HN 0.334 nan 8.280 nan 0.000 0.509 168 L N 0.008 121.147 121.223 -0.139 0.000 2.083 168 L HA -0.184 4.157 4.340 0.002 0.000 0.209 168 L C 2.372 179.163 176.870 -0.132 0.000 1.083 168 L CA 1.368 56.097 54.840 -0.185 0.000 0.752 168 L CB -0.478 41.461 42.059 -0.200 0.000 0.899 168 L HN 0.421 nan 8.230 nan 0.000 0.433 169 Q N -0.180 119.562 119.800 -0.097 0.000 2.224 169 Q HA -0.209 4.132 4.340 0.002 0.000 0.203 169 Q C 2.055 178.007 176.000 -0.081 0.000 0.970 169 Q CA 1.088 56.849 55.803 -0.069 0.000 0.865 169 Q CB 0.036 28.745 28.738 -0.048 0.000 0.922 169 Q HN 0.209 nan 8.270 nan 0.000 0.445 170 K N 0.580 120.909 120.400 -0.118 0.000 2.167 170 K HA 0.003 4.324 4.320 0.002 0.000 0.203 170 K C 1.662 178.185 176.600 -0.129 0.000 1.052 170 K CA 0.700 56.915 56.287 -0.119 0.000 0.956 170 K CB 0.125 32.541 32.500 -0.140 0.000 0.735 170 K HN 0.122 nan 8.250 nan 0.000 0.451 171 L N -0.480 120.641 121.223 -0.170 0.000 2.179 171 L HA -0.005 4.336 4.340 0.002 0.000 0.208 171 L C 2.129 178.964 176.870 -0.059 0.000 1.096 171 L CA 0.826 55.594 54.840 -0.120 0.000 0.779 171 L CB -0.260 41.728 42.059 -0.117 0.000 0.922 171 L HN 0.175 nan 8.230 nan 0.000 0.443 172 M N -1.201 118.367 119.600 -0.053 0.000 2.419 172 M HA -0.122 4.359 4.480 0.002 0.000 0.264 172 M C 2.465 178.748 176.300 -0.028 0.000 1.082 172 M CA 1.051 56.335 55.300 -0.028 0.000 1.119 172 M CB -0.151 32.436 32.600 -0.023 0.000 1.398 172 M HN 0.156 nan 8.290 nan 0.000 0.453 173 S N 0.333 116.010 115.700 -0.038 0.000 2.371 173 S HA -0.105 4.366 4.470 0.002 0.000 0.224 173 S C 0.586 175.169 174.600 -0.029 0.000 1.029 173 S CA 0.550 58.730 58.200 -0.033 0.000 0.978 173 S CB -0.267 62.910 63.200 -0.039 0.000 0.833 173 S HN 0.450 nan 8.310 nan 0.000 0.466 174 D N 1.280 121.660 120.400 -0.034 0.000 2.487 174 D HA 0.040 4.681 4.640 0.002 0.000 0.243 174 D C 1.151 177.440 176.300 -0.019 0.000 1.154 174 D CA 0.177 54.160 54.000 -0.027 0.000 0.876 174 D CB 0.708 41.489 40.800 -0.032 0.000 1.161 174 D HN -0.017 nan 8.370 nan 0.000 0.478 175 K N 3.331 123.721 120.400 -0.015 0.000 2.152 175 K HA -0.144 4.177 4.320 0.002 0.000 0.206 175 K C 1.466 178.060 176.600 -0.010 0.000 1.048 175 K CA 1.007 57.287 56.287 -0.011 0.000 0.933 175 K CB -0.126 32.368 32.500 -0.010 0.000 0.721 175 K HN 0.556 nan 8.250 nan 0.000 0.447 176 K N 0.287 120.680 120.400 -0.011 0.000 2.442 176 K HA -0.064 4.257 4.320 0.002 0.000 0.198 176 K C 0.981 177.576 176.600 -0.009 0.000 1.044 176 K CA 0.108 56.389 56.287 -0.010 0.000 0.948 176 K CB -0.211 32.282 32.500 -0.011 0.000 0.762 176 K HN 0.058 nan 8.250 nan 0.000 0.472 177 C N 2.947 122.241 119.300 -0.010 0.000 2.632 177 C HA 0.146 4.608 4.460 0.002 0.000 0.415 177 C C 0.991 175.979 174.990 -0.002 0.000 1.332 177 C CA -0.850 58.164 59.018 -0.006 0.000 1.874 177 C CB -0.480 27.256 27.740 -0.007 0.000 2.596 177 C HN 0.459 nan 8.230 nan 0.000 0.590 178 S N 4.553 120.253 115.700 -0.000 0.000 2.601 178 S HA 0.299 4.770 4.470 0.002 0.000 0.271 178 S C 1.129 175.732 174.600 0.006 0.000 1.305 178 S CA -0.162 58.039 58.200 0.002 0.000 1.022 178 S CB 1.267 64.468 63.200 0.000 0.000 0.940 178 S HN 1.482 nan 8.310 nan 0.000 0.525 179 V N -0.390 119.528 119.914 0.006 0.000 2.392 179 V HA -0.172 3.949 4.120 0.002 0.000 0.249 179 V C 2.094 178.197 176.094 0.014 0.000 1.059 179 V CA 1.908 64.213 62.300 0.010 0.000 1.051 179 V CB -1.505 30.323 31.823 0.009 0.000 0.658 179 V HN 0.924 nan 8.190 nan 0.000 0.455 180 E N 0.666 120.873 120.200 0.012 0.000 2.118 180 E HA -0.242 4.109 4.350 0.002 0.000 0.195 180 E C 2.220 178.832 176.600 0.021 0.000 0.992 180 E CA 1.706 58.115 56.400 0.014 0.000 0.804 180 E CB -0.171 29.534 29.700 0.008 0.000 0.741 180 E HN 0.738 nan 8.360 nan 0.000 0.458 181 K N 1.412 121.824 120.400 0.021 0.000 2.067 181 K HA -0.097 4.224 4.320 0.002 0.000 0.203 181 K C 2.182 178.810 176.600 0.047 0.000 1.048 181 K CA 0.756 57.064 56.287 0.035 0.000 0.954 181 K CB 0.085 32.602 32.500 0.027 0.000 0.737 181 K HN -0.148 nan 8.250 nan 0.000 0.444 182 K N 0.509 120.928 120.400 0.032 0.000 2.127 182 K HA -0.193 4.128 4.320 0.002 0.000 0.208 182 K C 2.144 178.763 176.600 0.032 0.000 1.047 182 K CA 1.873 58.176 56.287 0.027 0.000 0.927 182 K CB -0.224 32.285 32.500 0.015 0.000 0.716 182 K HN 0.099 nan 8.250 nan 0.000 0.450 183 S N 0.575 116.294 115.700 0.032 0.000 2.345 183 S HA -0.205 4.266 4.470 0.002 0.000 0.220 183 S C 1.922 176.550 174.600 0.046 0.000 1.031 183 S CA 1.682 59.903 58.200 0.035 0.000 0.996 183 S CB -0.341 62.877 63.200 0.030 0.000 0.882 183 S HN 0.523 nan 8.310 nan 0.000 0.445 184 E N 0.257 120.490 120.200 0.055 0.000 2.070 184 E HA -0.230 4.121 4.350 0.002 0.000 0.197 184 E C 2.141 178.796 176.600 0.091 0.000 1.004 184 E CA 1.679 58.124 56.400 0.074 0.000 0.805 184 E CB -0.301 29.448 29.700 0.083 0.000 0.744 184 E HN 0.601 nan 8.360 nan 0.000 0.451 185 M N 0.268 119.924 119.600 0.093 0.000 2.213 185 M HA -0.163 4.318 4.480 0.002 0.000 0.263 185 M C 2.105 178.419 176.300 0.024 0.000 1.062 185 M CA 1.545 56.879 55.300 0.058 0.000 1.105 185 M CB -0.226 32.398 32.600 0.040 0.000 1.385 185 M HN 0.148 nan 8.290 nan 0.000 0.417 186 E N -0.060 120.159 120.200 0.033 0.000 2.110 186 E HA -0.136 4.215 4.350 0.002 0.000 0.193 186 E C 2.025 178.648 176.600 0.038 0.000 0.988 186 E CA 1.459 57.877 56.400 0.030 0.000 0.804 186 E CB -0.099 29.621 29.700 0.034 0.000 0.745 186 E HN 0.418 nan 8.360 nan 0.000 0.458 187 S N 0.405 116.136 115.700 0.052 0.000 2.447 187 S HA -0.091 4.380 4.470 0.002 0.000 0.233 187 S C 2.092 176.742 174.600 0.083 0.000 1.006 187 S CA 0.607 58.843 58.200 0.060 0.000 0.957 187 S CB 0.059 63.299 63.200 0.067 0.000 0.773 187 S HN 0.062 nan 8.310 nan 0.000 0.507 188 V N 1.696 121.667 119.914 0.095 0.000 2.346 188 V HA -0.020 4.101 4.120 0.002 0.000 0.244 188 V C 2.124 178.263 176.094 0.075 0.000 1.037 188 V CA 1.150 63.549 62.300 0.165 0.000 1.029 188 V CB -0.642 31.236 31.823 0.092 0.000 0.663 188 V HN 0.408 nan 8.190 nan 0.000 0.454 189 L N 0.613 121.843 121.223 0.011 0.000 2.046 189 L HA -0.052 4.289 4.340 0.002 0.000 0.208 189 L C 2.112 178.957 176.870 -0.041 0.000 1.077 189 L CA 1.442 56.271 54.840 -0.019 0.000 0.747 189 L CB -0.636 41.417 42.059 -0.010 0.000 0.896 189 L HN 0.348 nan 8.230 nan 0.000 0.432 190 A N -0.485 122.324 122.820 -0.018 0.000 2.478 190 A HA 0.042 4.363 4.320 0.002 0.000 0.239 190 A C 0.910 178.435 177.584 -0.099 0.000 1.480 190 A CA 0.517 52.542 52.037 -0.019 0.000 1.308 190 A CB -0.453 18.567 19.000 0.034 0.000 0.899 190 A HN 0.561 nan 8.150 nan 0.000 0.600 191 Q N -1.210 118.465 119.800 -0.208 0.000 1.731 191 Q HA 0.183 4.524 4.340 0.002 0.000 0.160 191 Q C 0.514 176.038 176.000 -0.793 0.000 0.733 191 Q CA -0.077 55.487 55.803 -0.399 0.000 0.820 191 Q CB -0.437 28.108 28.738 -0.321 0.000 1.275 191 Q HN 0.549 nan 8.270 nan 0.000 0.347 192 L N 0.154 121.096 121.223 -0.468 0.000 2.109 192 L HA -0.060 4.281 4.340 0.002 0.000 0.207 192 L C 0.919 177.642 176.870 -0.246 0.000 1.086 192 L CA 1.289 55.911 54.840 -0.363 0.000 0.760 192 L CB 0.225 42.230 42.059 -0.090 0.000 0.910 192 L HN 0.344 nan 8.230 nan 0.000 0.437 193 D N -0.402 119.875 120.400 -0.205 0.000 2.378 193 D HA -0.094 4.547 4.640 0.002 0.000 0.227 193 D C 1.134 177.342 176.300 -0.153 0.000 1.012 193 D CA 0.571 54.481 54.000 -0.149 0.000 0.905 193 D CB 0.036 40.725 40.800 -0.184 0.000 0.895 193 D HN 0.442 nan 8.370 nan 0.000 0.532 194 N N -0.272 118.292 118.700 -0.228 0.000 2.420 194 N HA -0.021 4.720 4.740 0.002 0.000 0.185 194 N C 0.150 175.686 175.510 0.043 0.000 1.033 194 N CA 0.062 53.032 53.050 -0.134 0.000 0.879 194 N CB -0.345 38.027 38.487 -0.191 0.000 1.071 194 N HN 0.229 nan 8.380 nan 0.000 0.437 195 Y N 1.555 121.875 120.300 0.033 0.000 2.863 195 Y HA -0.049 4.502 4.550 0.002 0.000 0.359 195 Y C 1.645 177.596 175.900 0.086 0.000 1.312 195 Y CA -0.767 57.358 58.100 0.041 0.000 1.650 195 Y CB -0.323 38.157 38.460 0.032 0.000 1.201 195 Y HN 0.081 nan 8.280 nan 0.000 0.531 196 G N 2.306 111.239 108.800 0.221 0.000 2.508 196 G HA2 0.057 4.018 3.960 0.002 0.000 0.278 196 G HA3 0.057 4.018 3.960 0.002 0.000 0.278 196 G C 0.601 175.460 174.900 -0.068 0.000 1.389 196 G CA -0.355 44.862 45.100 0.194 0.000 1.050 196 G HN 0.635 nan 8.290 nan 0.000 0.522 197 Q N -0.887 118.821 119.800 -0.152 0.000 1.978 197 Q HA -0.278 4.063 4.340 0.002 0.000 0.211 197 Q C 2.514 178.308 176.000 -0.343 0.000 1.013 197 Q CA 3.030 58.527 55.803 -0.510 0.000 0.869 197 Q CB -0.732 27.917 28.738 -0.148 0.000 0.953 197 Q HN 0.603 nan 8.270 nan 0.000 0.415 198 Q N 0.165 119.871 119.800 -0.157 0.000 2.002 198 Q HA -0.174 4.167 4.340 0.002 0.000 0.204 198 Q C 1.960 177.896 176.000 -0.107 0.000 0.988 198 Q CA 2.435 58.170 55.803 -0.112 0.000 0.843 198 Q CB -0.393 28.307 28.738 -0.063 0.000 0.908 198 Q HN 0.644 nan 8.270 nan 0.000 0.420 199 E N -0.230 119.915 120.200 -0.092 0.000 2.136 199 E HA -0.236 4.115 4.350 0.002 0.000 0.202 199 E C 2.045 178.564 176.600 -0.135 0.000 1.019 199 E CA 1.457 57.778 56.400 -0.131 0.000 0.819 199 E CB -0.310 29.318 29.700 -0.120 0.000 0.739 199 E HN 0.380 nan 8.360 nan 0.000 0.458 200 L N 0.196 121.377 121.223 -0.070 0.000 2.093 200 L HA -0.148 4.193 4.340 0.002 0.000 0.208 200 L C 2.584 179.540 176.870 0.144 0.000 1.085 200 L CA 0.748 55.620 54.840 0.053 0.000 0.755 200 L CB -0.437 41.641 42.059 0.033 0.000 0.904 200 L HN 0.157 nan 8.230 nan 0.000 0.435 201 A N 0.063 122.880 122.820 -0.006 0.000 1.908 201 A HA -0.246 4.075 4.320 0.002 0.000 0.218 201 A C 1.912 179.538 177.584 0.070 0.000 1.181 201 A CA 2.014 54.057 52.037 0.010 0.000 0.627 201 A CB -0.493 18.462 19.000 -0.075 0.000 0.818 201 A HN 0.390 nan 8.150 nan 0.000 0.445 202 D N 0.247 120.655 120.400 0.014 0.000 2.084 202 D HA -0.137 4.504 4.640 0.002 0.000 0.194 202 D C 2.017 178.349 176.300 0.053 0.000 0.990 202 D CA 1.340 55.345 54.000 0.008 0.000 0.826 202 D CB -0.489 40.285 40.800 -0.043 0.000 0.971 202 D HN 0.459 nan 8.370 nan 0.000 0.453 203 L N -0.176 121.071 121.223 0.040 0.000 2.079 203 L HA -0.178 4.163 4.340 0.002 0.000 0.210 203 L C 2.488 179.410 176.870 0.086 0.000 1.081 203 L CA 0.847 55.737 54.840 0.084 0.000 0.752 203 L CB -0.456 41.564 42.059 -0.065 0.000 0.896 203 L HN -0.061 nan 8.230 nan 0.000 0.433 204 F N -0.877 119.086 119.950 0.022 0.000 2.451 204 F HA -0.146 4.382 4.527 0.002 0.000 0.299 204 F C 2.074 177.875 175.800 0.003 0.000 1.101 204 F CA 0.872 58.871 58.000 -0.003 0.000 1.436 204 F CB -0.084 38.893 39.000 -0.038 0.000 1.074 204 F HN -0.181 nan 8.300 nan 0.000 0.553 205 V N -1.055 118.956 119.914 0.161 0.000 2.672 205 V HA -0.126 3.995 4.120 0.002 0.000 0.242 205 V C 1.744 177.864 176.094 0.043 0.000 1.059 205 V CA 1.238 63.588 62.300 0.084 0.000 1.081 205 V CB -0.620 31.232 31.823 0.049 0.000 0.752 205 V HN 0.229 nan 8.190 nan 0.000 0.472 206 N N -0.045 118.679 118.700 0.038 0.000 2.043 206 N HA -0.209 4.533 4.740 0.002 0.000 0.193 206 N C 1.568 176.996 175.510 -0.137 0.000 1.037 206 N CA 1.811 54.823 53.050 -0.064 0.000 0.851 206 N CB -0.228 38.212 38.487 -0.078 0.000 1.027 206 N HN 0.464 nan 8.380 nan 0.000 0.422 207 Y N 0.597 120.885 120.300 -0.021 0.000 2.529 207 Y HA 0.085 4.636 4.550 0.002 0.000 0.290 207 Y C 0.309 176.217 175.900 0.014 0.000 1.177 207 Y CA -0.295 57.820 58.100 0.024 0.000 1.305 207 Y CB -0.589 37.903 38.460 0.054 0.000 1.047 207 Y HN 0.074 nan 8.280 nan 0.000 0.522 208 N N 0.492 119.240 118.700 0.081 0.000 2.669 208 N HA -0.188 4.553 4.740 0.002 0.000 0.266 208 N C -1.048 174.429 175.510 -0.055 0.000 1.024 208 N CA 0.222 53.293 53.050 0.034 0.000 0.766 208 N CB -0.891 37.616 38.487 0.033 0.000 0.898 208 N HN 0.005 nan 8.380 nan 0.000 0.548 209 V N 1.352 121.178 119.914 -0.147 0.000 2.715 209 V HA 0.215 4.336 4.120 0.002 0.000 0.299 209 V C 0.882 176.919 176.094 -0.096 0.000 1.054 209 V CA 0.442 62.511 62.300 -0.385 0.000 1.077 209 V CB 1.175 32.745 31.823 -0.421 0.000 0.972 209 V HN 0.358 nan 8.190 nan 0.000 0.484 210 K N 1.974 122.289 120.400 -0.141 0.000 2.502 210 K HA 0.418 4.739 4.320 0.002 0.000 0.257 210 K C -0.506 176.058 176.600 -0.058 0.000 0.938 210 K CA -0.670 55.596 56.287 -0.035 0.000 0.819 210 K CB 1.947 34.440 32.500 -0.012 0.000 1.333 210 K HN 0.601 nan 8.250 nan 0.000 0.434 211 S N 2.747 118.427 115.700 -0.033 0.000 2.952 211 S HA -0.066 4.405 4.470 0.002 0.000 0.351 211 S C -1.038 173.476 174.600 -0.144 0.000 1.211 211 S CA -0.641 57.497 58.200 -0.104 0.000 1.002 211 S CB 0.313 63.542 63.200 0.050 0.000 0.702 211 S HN 0.453 nan 8.310 nan 0.000 0.495 212 P HA -0.070 nan 4.420 nan 0.000 0.215 212 P C 0.298 177.559 177.300 -0.066 0.000 1.153 212 P CA 1.098 64.096 63.100 -0.169 0.000 0.853 212 P CB -0.352 31.194 31.700 -0.256 0.000 0.788 213 I N -3.526 117.022 120.570 -0.036 0.000 2.437 213 I HA 0.393 4.564 4.170 0.002 0.000 0.298 213 I C 0.926 177.066 176.117 0.039 0.000 0.984 213 I CA -1.111 60.204 61.300 0.025 0.000 1.214 213 I CB -0.249 37.791 38.000 0.067 0.000 1.365 213 I HN -0.204 nan 8.210 nan 0.000 0.469 214 T N 4.223 118.797 114.554 0.034 0.000 3.799 214 T HA -0.198 4.153 4.350 0.002 0.000 0.358 214 T C 0.932 175.652 174.700 0.033 0.000 0.759 214 T CA 0.805 62.925 62.100 0.034 0.000 1.869 214 T CB -1.957 66.935 68.868 0.041 0.000 1.837 214 T HN 1.768 nan 8.240 nan 0.000 0.762 215 G N 2.120 110.934 108.800 0.023 0.000 2.863 215 G HA2 -0.133 3.828 3.960 0.002 0.000 0.334 215 G HA3 -0.133 3.828 3.960 0.002 0.000 0.334 215 G C 0.321 175.236 174.900 0.027 0.000 0.227 215 G CA 0.640 45.751 45.100 0.018 0.000 1.215 215 G HN 0.857 nan 8.290 nan 0.000 0.333 216 N N 0.896 119.619 118.700 0.038 0.000 2.514 216 N HA 0.424 5.165 4.740 0.002 0.000 0.299 216 N C -0.365 175.166 175.510 0.036 0.000 1.292 216 N CA -0.719 52.354 53.050 0.038 0.000 0.963 216 N CB 0.568 39.084 38.487 0.049 0.000 1.124 216 N HN 0.304 nan 8.380 nan 0.000 0.580 217 D N -0.288 120.131 120.400 0.032 0.000 2.264 217 D HA 0.307 4.948 4.640 0.002 0.000 0.250 217 D C -0.924 175.395 176.300 0.032 0.000 1.113 217 D CA -0.276 53.741 54.000 0.027 0.000 0.871 217 D CB 0.583 41.394 40.800 0.017 0.000 1.167 217 D HN 0.134 nan 8.370 nan 0.000 0.447 218 L N 2.493 123.737 121.223 0.034 0.000 2.292 218 L HA 0.283 4.625 4.340 0.002 0.000 0.284 218 L C 0.449 177.301 176.870 -0.030 0.000 1.065 218 L CA -0.243 54.611 54.840 0.024 0.000 0.806 218 L CB 1.060 43.148 42.059 0.048 0.000 1.175 218 L HN 0.457 nan 8.230 nan 0.000 0.431 219 S N 5.273 120.942 115.700 -0.051 0.000 2.600 219 S HA 0.476 4.947 4.470 0.002 0.000 0.265 219 S C -2.359 172.150 174.600 -0.152 0.000 1.325 219 S CA -1.040 57.113 58.200 -0.078 0.000 1.002 219 S CB 0.191 63.352 63.200 -0.065 0.000 0.921 219 S HN 0.526 nan 8.310 nan 0.000 0.554 220 P HA 0.227 nan 4.420 nan 0.000 0.269 220 P C -2.595 174.561 177.300 -0.240 0.000 1.215 220 P CA -1.323 61.662 63.100 -0.191 0.000 0.780 220 P CB -0.725 30.904 31.700 -0.119 0.000 0.898 221 P HA 0.046 nan 4.420 nan 0.000 0.271 221 P C -0.398 176.809 177.300 -0.155 0.000 1.216 221 P CA 0.219 63.139 63.100 -0.300 0.000 0.771 221 P CB 0.644 32.093 31.700 -0.418 0.000 0.864 222 V N -0.279 119.638 119.914 0.005 0.000 3.078 222 V HA 0.544 4.665 4.120 0.002 0.000 0.311 222 V C -0.073 176.200 176.094 0.299 0.000 1.138 222 V CA -0.989 61.381 62.300 0.118 0.000 1.007 222 V CB 1.672 33.526 31.823 0.052 0.000 1.045 222 V HN 0.433 nan 8.190 nan 0.000 0.432 223 S N 2.146 118.023 115.700 0.295 0.000 2.572 223 S HA 0.620 5.092 4.470 0.002 0.000 0.279 223 S C -0.745 173.943 174.600 0.146 0.000 1.341 223 S CA 0.060 58.357 58.200 0.162 0.000 1.043 223 S CB 0.373 63.607 63.200 0.057 0.000 0.887 223 S HN 1.028 nan 8.310 nan 0.000 0.516 224 F N 3.574 123.452 119.950 -0.121 0.000 2.828 224 F HA 0.307 4.835 4.527 0.002 0.000 0.355 224 F C -0.340 175.355 175.800 -0.175 0.000 1.200 224 F CA -0.918 57.010 58.000 -0.121 0.000 1.062 224 F CB 0.591 39.523 39.000 -0.113 0.000 1.351 224 F HN 0.466 nan 8.300 nan 0.000 0.504 225 N N 5.851 124.177 118.700 -0.623 0.000 2.411 225 N HA 0.019 4.761 4.740 0.002 0.000 0.265 225 N C 0.826 175.842 175.510 -0.824 0.000 1.266 225 N CA 0.438 53.147 53.050 -0.569 0.000 0.889 225 N CB 0.816 39.076 38.487 -0.379 0.000 1.069 225 N HN 0.882 nan 8.380 nan 0.000 0.476 226 L N 3.208 124.108 121.223 -0.539 0.000 2.599 226 L HA 0.105 4.446 4.340 0.002 0.000 0.230 226 L C 0.868 177.628 176.870 -0.184 0.000 1.141 226 L CA 0.301 54.904 54.840 -0.395 0.000 0.877 226 L CB -0.109 41.720 42.059 -0.384 0.000 1.009 226 L HN 0.446 nan 8.230 nan 0.000 0.447 227 M N -0.501 119.015 119.600 -0.141 0.000 2.249 227 M HA 0.250 4.731 4.480 0.002 0.000 0.351 227 M C -0.509 175.722 176.300 -0.116 0.000 1.180 227 M CA -0.393 54.860 55.300 -0.078 0.000 1.127 227 M CB 1.087 33.547 32.600 -0.233 0.000 1.546 227 M HN -0.197 nan 8.290 nan 0.000 0.461 228 F N 2.164 122.177 119.950 0.105 0.000 2.418 228 F HA 0.277 4.806 4.527 0.002 0.000 0.341 228 F C 0.721 176.618 175.800 0.160 0.000 1.120 228 F CA 0.176 58.237 58.000 0.100 0.000 1.232 228 F CB 0.473 39.502 39.000 0.048 0.000 1.175 228 F HN 0.325 nan 8.300 nan 0.000 0.569 229 K N 1.492 122.060 120.400 0.280 0.000 2.156 229 K HA 0.692 5.014 4.320 0.002 0.000 0.254 229 K C -0.645 175.937 176.600 -0.030 0.000 0.950 229 K CA -0.264 56.070 56.287 0.079 0.000 0.849 229 K CB 1.772 34.295 32.500 0.038 0.000 1.100 229 K HN 0.813 nan 8.250 nan 0.000 0.434 230 T N 0.706 115.102 114.554 -0.264 0.000 2.665 230 T HA 0.537 4.888 4.350 0.002 0.000 0.303 230 T C -1.361 173.039 174.700 -0.500 0.000 1.334 230 T CA -0.603 61.388 62.100 -0.183 0.000 1.011 230 T CB 0.528 69.331 68.868 -0.108 0.000 1.573 230 T HN 0.314 nan 8.240 nan 0.000 0.492 231 F N 0.739 120.637 119.950 -0.086 0.000 2.562 231 F HA 0.578 5.106 4.527 0.002 0.000 0.319 231 F C -0.349 175.409 175.800 -0.071 0.000 1.154 231 F CA -0.947 57.003 58.000 -0.084 0.000 0.931 231 F CB 1.147 40.109 39.000 -0.063 0.000 1.198 231 F HN 0.315 nan 8.300 nan 0.000 0.444 232 I N 3.795 124.390 120.570 0.041 0.000 2.352 232 I HA 0.548 4.719 4.170 0.002 0.000 0.290 232 I C 0.755 176.898 176.117 0.044 0.000 1.036 232 I CA 0.018 61.327 61.300 0.016 0.000 1.336 232 I CB 0.259 38.243 38.000 -0.027 0.000 1.407 232 I HN 0.812 nan 8.210 nan 0.000 0.497 233 G N 7.528 116.348 108.800 0.033 0.000 2.814 233 G HA2 -0.134 3.827 3.960 0.002 0.000 0.677 233 G HA3 -0.134 3.827 3.960 0.002 0.000 0.677 233 G C -2.695 172.224 174.900 0.031 0.000 1.429 233 G CA -1.158 43.957 45.100 0.025 0.000 0.868 233 G HN 0.542 nan 8.290 nan 0.000 0.553 234 P HA 0.520 nan 4.420 nan 0.000 0.271 234 P C 0.879 178.172 177.300 -0.010 0.000 1.216 234 P CA 1.563 64.659 63.100 -0.007 0.000 0.771 234 P CB 0.958 32.651 31.700 -0.011 0.000 0.864 235 G N 1.879 110.653 108.800 -0.043 0.000 2.526 235 G HA2 0.110 4.071 3.960 0.002 0.000 0.250 235 G HA3 0.110 4.071 3.960 0.002 0.000 0.250 235 G C 0.185 175.045 174.900 -0.066 0.000 1.289 235 G CA -0.285 44.782 45.100 -0.055 0.000 0.947 235 G HN 0.717 nan 8.290 nan 0.000 0.517 236 G N -0.819 107.965 108.800 -0.027 0.000 3.528 236 G HA2 0.377 4.338 3.960 0.002 0.000 0.266 236 G HA3 0.377 4.338 3.960 0.002 0.000 0.266 236 G C 0.952 175.959 174.900 0.179 0.000 1.004 236 G CA 1.128 46.277 45.100 0.082 0.000 0.853 236 G HN 0.915 nan 8.290 nan 0.000 0.501 237 N N 0.489 119.244 118.700 0.093 0.000 2.272 237 N HA -0.056 4.685 4.740 0.002 0.000 0.185 237 N C 1.036 176.584 175.510 0.064 0.000 1.014 237 N CA 0.797 53.886 53.050 0.065 0.000 0.870 237 N CB -0.033 38.475 38.487 0.036 0.000 0.975 237 N HN 0.367 nan 8.380 nan 0.000 0.433 238 M N 1.131 120.782 119.600 0.084 0.000 2.016 238 M HA 0.338 4.819 4.480 0.002 0.000 0.315 238 M C -2.901 173.373 176.300 -0.043 0.000 0.930 238 M CA -2.149 53.163 55.300 0.020 0.000 0.899 238 M CB 1.633 34.237 32.600 0.008 0.000 1.401 238 M HN -0.121 nan 8.290 nan 0.000 0.386 239 P HA 0.416 nan 4.420 nan 0.000 0.285 239 P C -0.601 176.372 177.300 -0.546 0.000 1.259 239 P CA 0.078 62.840 63.100 -0.564 0.000 0.794 239 P CB 1.642 33.024 31.700 -0.531 0.000 0.940 240 G N 1.838 110.253 108.800 -0.643 0.000 2.714 240 G HA2 0.675 4.636 3.960 0.002 0.000 0.292 240 G HA3 0.675 4.636 3.960 0.002 0.000 0.292 240 G C -1.908 172.621 174.900 -0.619 0.000 1.308 240 G CA -0.532 44.263 45.100 -0.510 0.000 0.964 240 G HN 0.355 nan 8.290 nan 0.000 0.484 241 Y N -1.568 118.653 120.300 -0.131 0.000 2.634 241 Y HA 0.596 5.147 4.550 0.002 0.000 0.340 241 Y C -0.014 175.817 175.900 -0.116 0.000 1.058 241 Y CA -0.956 57.085 58.100 -0.098 0.000 1.081 241 Y CB 2.035 40.455 38.460 -0.067 0.000 1.295 241 Y HN 0.266 nan 8.280 nan 0.000 0.487 242 L N 2.705 123.985 121.223 0.096 0.000 2.272 242 L HA 0.508 4.849 4.340 0.002 0.000 0.289 242 L C 0.018 176.914 176.870 0.044 0.000 1.032 242 L CA -1.040 53.731 54.840 -0.115 0.000 0.810 242 L CB 1.223 42.993 42.059 -0.481 0.000 1.205 242 L HN 0.625 nan 8.230 nan 0.000 0.422 243 R N 4.253 124.767 120.500 0.022 0.000 2.485 243 R HA 0.011 4.352 4.340 0.002 0.000 0.304 243 R C -2.018 174.310 176.300 0.046 0.000 0.934 243 R CA -0.739 55.360 56.100 -0.001 0.000 1.102 243 R CB 0.089 30.372 30.300 -0.028 0.000 0.906 243 R HN 0.368 nan 8.270 nan 0.000 0.407 244 P HA -0.078 nan 4.420 nan 0.000 0.245 244 P C -0.766 176.500 177.300 -0.057 0.000 1.206 244 P CA 0.814 63.893 63.100 -0.035 0.000 0.781 244 P CB 0.285 31.770 31.700 -0.357 0.000 0.994 245 E N -2.331 117.795 120.200 -0.124 0.000 2.437 245 E HA 0.320 4.671 4.350 0.002 0.000 0.280 245 E C 0.039 176.559 176.600 -0.134 0.000 1.044 245 E CA -0.744 55.593 56.400 -0.105 0.000 0.826 245 E CB 0.214 29.871 29.700 -0.071 0.000 1.358 245 E HN -0.238 nan 8.360 nan 0.000 0.459 246 T N -2.621 111.849 114.554 -0.140 0.000 3.023 246 T HA 0.249 4.600 4.350 0.002 0.000 0.249 246 T C 1.915 176.493 174.700 -0.204 0.000 1.050 246 T CA 0.712 62.720 62.100 -0.153 0.000 1.088 246 T CB -0.125 68.652 68.868 -0.151 0.000 0.946 246 T HN 0.570 nan 8.240 nan 0.000 0.480 247 A N 2.461 125.136 122.820 -0.242 0.000 1.923 247 A HA -0.312 4.009 4.320 0.002 0.000 0.222 247 A C 2.453 179.686 177.584 -0.584 0.000 1.258 247 A CA 2.339 54.112 52.037 -0.440 0.000 0.670 247 A CB -1.118 17.723 19.000 -0.266 0.000 0.834 247 A HN 0.508 nan 8.150 nan 0.000 0.470 248 Q N -1.000 118.705 119.800 -0.157 0.000 2.096 248 Q HA -0.207 4.134 4.340 0.002 0.000 0.208 248 Q C 2.255 178.204 176.000 -0.084 0.000 0.993 248 Q CA 1.886 57.727 55.803 0.062 0.000 0.862 248 Q CB -1.405 27.368 28.738 0.059 0.000 0.915 248 Q HN 0.725 nan 8.270 nan 0.000 0.416 249 G N 0.792 109.511 108.800 -0.135 0.000 2.469 249 G HA2 -0.224 3.737 3.960 0.002 0.000 0.220 249 G HA3 -0.224 3.737 3.960 0.002 0.000 0.220 249 G C 1.545 176.379 174.900 -0.110 0.000 1.136 249 G CA 0.818 45.854 45.100 -0.107 0.000 0.759 249 G HN 0.361 nan 8.290 nan 0.000 0.562 250 I N -0.340 120.100 120.570 -0.217 0.000 2.439 250 I HA -0.034 4.138 4.170 0.002 0.000 0.251 250 I C 2.202 178.335 176.117 0.027 0.000 1.139 250 I CA 0.466 61.682 61.300 -0.140 0.000 1.438 250 I CB -0.168 37.692 38.000 -0.234 0.000 1.085 250 I HN 0.046 nan 8.210 nan 0.000 0.427 251 F N 0.750 120.796 119.950 0.160 0.000 2.163 251 F HA -0.063 4.465 4.527 0.002 0.000 0.297 251 F C 2.181 178.014 175.800 0.056 0.000 1.094 251 F CA 0.929 59.029 58.000 0.166 0.000 1.290 251 F CB -1.028 38.042 39.000 0.116 0.000 1.017 251 F HN -0.085 nan 8.300 nan 0.000 0.483 252 L N -0.060 121.219 121.223 0.093 0.000 2.549 252 L HA -0.130 4.211 4.340 0.002 0.000 0.229 252 L C 0.648 177.552 176.870 0.057 0.000 1.158 252 L CA 0.861 55.697 54.840 -0.007 0.000 0.842 252 L CB -0.542 41.464 42.059 -0.089 0.000 0.952 252 L HN 0.192 nan 8.230 nan 0.000 0.452 253 N N -1.200 117.559 118.700 0.098 0.000 2.416 253 N HA 0.041 4.783 4.740 0.002 0.000 0.267 253 N C 0.972 176.548 175.510 0.110 0.000 1.294 253 N CA -0.105 52.987 53.050 0.070 0.000 0.891 253 N CB 0.567 39.065 38.487 0.019 0.000 1.238 253 N HN 0.120 nan 8.380 nan 0.000 0.508 254 F N 2.385 122.354 119.950 0.030 0.000 2.102 254 F HA -0.060 4.468 4.527 0.002 0.000 0.298 254 F C 2.031 177.807 175.800 -0.040 0.000 1.105 254 F CA 1.511 59.502 58.000 -0.015 0.000 1.239 254 F CB 0.315 39.298 39.000 -0.028 0.000 0.991 254 F HN -0.173 nan 8.300 nan 0.000 0.474 255 K N 0.820 121.124 120.400 -0.161 0.000 2.032 255 K HA -0.162 4.159 4.320 0.002 0.000 0.209 255 K C 2.160 178.617 176.600 -0.238 0.000 1.048 255 K CA 1.839 57.971 56.287 -0.258 0.000 0.927 255 K CB -0.634 31.831 32.500 -0.058 0.000 0.712 255 K HN 0.358 nan 8.250 nan 0.000 0.441 256 R N 0.537 120.969 120.500 -0.114 0.000 2.096 256 R HA -0.041 4.300 4.340 0.002 0.000 0.235 256 R C 2.514 178.796 176.300 -0.031 0.000 1.127 256 R CA 1.042 57.123 56.100 -0.031 0.000 0.968 256 R CB -0.407 29.899 30.300 0.009 0.000 0.861 256 R HN 0.128 nan 8.270 nan 0.000 0.440 257 L N 0.215 121.321 121.223 -0.195 0.000 2.131 257 L HA -0.094 4.247 4.340 0.002 0.000 0.206 257 L C 2.314 178.826 176.870 -0.596 0.000 1.087 257 L CA 0.375 55.031 54.840 -0.307 0.000 0.767 257 L CB -0.355 41.630 42.059 -0.123 0.000 0.917 257 L HN 0.155 nan 8.230 nan 0.000 0.441 258 L N 0.400 121.138 121.223 -0.807 0.000 2.083 258 L HA -0.216 4.125 4.340 0.002 0.000 0.209 258 L C 2.412 178.951 176.870 -0.550 0.000 1.083 258 L CA 1.781 56.019 54.840 -1.003 0.000 0.752 258 L CB -0.569 40.888 42.059 -1.004 0.000 0.899 258 L HN 0.290 nan 8.230 nan 0.000 0.433 259 E N -1.230 118.779 120.200 -0.319 0.000 2.153 259 E HA -0.267 4.084 4.350 0.002 0.000 0.194 259 E C 2.078 178.590 176.600 -0.147 0.000 0.988 259 E CA 1.209 57.499 56.400 -0.184 0.000 0.811 259 E CB -0.270 29.360 29.700 -0.117 0.000 0.746 259 E HN 0.518 nan 8.360 nan 0.000 0.466 260 F N 1.401 121.171 119.950 -0.301 0.000 2.161 260 F HA -0.145 4.384 4.527 0.002 0.000 0.300 260 F C 2.115 177.784 175.800 -0.218 0.000 1.089 260 F CA 1.100 58.964 58.000 -0.226 0.000 1.282 260 F CB -0.207 38.670 39.000 -0.206 0.000 1.010 260 F HN 0.086 nan 8.300 nan 0.000 0.485 261 N N 0.626 119.242 118.700 -0.140 0.000 2.389 261 N HA -0.054 4.687 4.740 0.002 0.000 0.237 261 N C 0.242 175.682 175.510 -0.116 0.000 1.148 261 N CA 0.329 53.302 53.050 -0.128 0.000 0.854 261 N CB -0.079 38.295 38.487 -0.187 0.000 1.115 261 N HN 0.257 nan 8.380 nan 0.000 0.492 262 Q N -1.895 117.830 119.800 -0.126 0.000 2.217 262 Q HA -0.233 4.108 4.340 0.002 0.000 0.170 262 Q C 0.909 176.847 176.000 -0.104 0.000 0.597 262 Q CA 1.673 57.413 55.803 -0.106 0.000 1.426 262 Q CB -1.857 26.839 28.738 -0.069 0.000 1.504 262 Q HN 0.599 nan 8.270 nan 0.000 0.860 263 G N -0.866 107.856 108.800 -0.130 0.000 2.229 263 G HA2 -0.199 3.762 3.960 0.002 0.000 0.189 263 G HA3 -0.199 3.762 3.960 0.002 0.000 0.189 263 G C 0.093 174.974 174.900 -0.032 0.000 1.000 263 G CA 0.199 45.234 45.100 -0.108 0.000 0.663 263 G HN 0.237 nan 8.290 nan 0.000 0.493 264 K N -0.236 120.159 120.400 -0.008 0.000 2.090 264 K HA 0.837 5.158 4.320 0.002 0.000 0.250 264 K C -0.017 176.674 176.600 0.152 0.000 1.004 264 K CA -0.345 55.977 56.287 0.060 0.000 0.919 264 K CB 0.861 33.387 32.500 0.043 0.000 1.045 264 K HN 0.119 nan 8.250 nan 0.000 0.471 265 L N 1.729 123.058 121.223 0.176 0.000 2.333 265 L HA 0.574 4.915 4.340 0.002 0.000 0.263 265 L C -2.032 174.925 176.870 0.145 0.000 1.014 265 L CA -1.628 53.355 54.840 0.239 0.000 0.820 265 L CB 1.176 43.379 42.059 0.240 0.000 1.352 265 L HN 0.674 nan 8.230 nan 0.000 0.421 266 P HA 0.602 nan 4.420 nan 0.000 0.282 266 P C -1.498 175.904 177.300 0.170 0.000 1.287 266 P CA -0.319 62.840 63.100 0.099 0.000 0.792 266 P CB 1.274 32.982 31.700 0.013 0.000 1.163 267 F N -3.127 116.797 119.950 -0.042 0.000 2.690 267 F HA 0.675 5.203 4.527 0.002 0.000 0.311 267 F C -2.173 173.661 175.800 0.056 0.000 1.111 267 F CA -1.245 56.765 58.000 0.015 0.000 1.003 267 F CB 0.652 39.698 39.000 0.077 0.000 1.283 267 F HN 0.508 nan 8.300 nan 0.000 0.442 268 A N 2.498 125.404 122.820 0.142 0.000 2.342 268 A HA 0.978 5.299 4.320 0.002 0.000 0.323 268 A C -0.848 176.891 177.584 0.259 0.000 1.125 268 A CA -0.279 51.818 52.037 0.100 0.000 0.785 268 A CB 1.005 20.108 19.000 0.170 0.000 1.221 268 A HN 1.837 nan 8.150 nan 0.000 0.463 269 A N 1.024 123.984 122.820 0.233 0.000 2.311 269 A HA 0.969 5.290 4.320 0.002 0.000 0.334 269 A C 0.066 177.712 177.584 0.103 0.000 1.139 269 A CA 0.017 52.184 52.037 0.217 0.000 0.830 269 A CB 1.292 20.482 19.000 0.316 0.000 1.234 269 A HN 2.444 nan 8.150 nan 0.000 0.483 270 A N 0.283 123.149 122.820 0.077 0.000 2.594 270 A HA 0.807 5.128 4.320 0.002 0.000 0.291 270 A C -0.993 176.606 177.584 0.025 0.000 1.105 270 A CA -0.472 51.608 52.037 0.073 0.000 0.694 270 A CB 1.564 20.664 19.000 0.167 0.000 1.291 270 A HN 0.825 nan 8.150 nan 0.000 0.410 271 Q N -0.077 119.719 119.800 -0.006 0.000 2.353 271 Q HA 0.559 4.900 4.340 0.002 0.000 0.275 271 Q C -1.871 174.053 176.000 -0.126 0.000 1.029 271 Q CA -0.413 55.353 55.803 -0.062 0.000 0.848 271 Q CB 2.394 31.075 28.738 -0.096 0.000 1.390 271 Q HN 0.660 nan 8.270 nan 0.000 0.401 272 I N 2.239 122.729 120.570 -0.132 0.000 2.623 272 I HA 0.516 4.687 4.170 0.002 0.000 0.275 272 I C 0.036 176.053 176.117 -0.167 0.000 1.108 272 I CA -0.367 60.808 61.300 -0.208 0.000 1.120 272 I CB 1.362 39.245 38.000 -0.195 0.000 1.249 272 I HN 0.630 nan 8.210 nan 0.000 0.500 273 G N 4.018 112.710 108.800 -0.179 0.000 2.921 273 G HA2 0.434 4.395 3.960 0.002 0.000 0.291 273 G HA3 0.434 4.395 3.960 0.002 0.000 0.291 273 G C -1.129 173.646 174.900 -0.209 0.000 1.370 273 G CA -0.629 44.377 45.100 -0.156 0.000 0.847 273 G HN 0.316 nan 8.290 nan 0.000 0.532 274 N N 0.040 118.620 118.700 -0.200 0.000 2.509 274 N HA 0.589 5.330 4.740 0.002 0.000 0.287 274 N C -0.672 174.629 175.510 -0.348 0.000 1.121 274 N CA -0.044 52.804 53.050 -0.336 0.000 0.977 274 N CB 1.775 40.058 38.487 -0.340 0.000 1.167 274 N HN 0.323 nan 8.380 nan 0.000 0.476 275 S N 0.591 115.904 115.700 -0.646 0.000 2.599 275 S HA 0.666 5.137 4.470 0.002 0.000 0.287 275 S C -1.117 173.148 174.600 -0.558 0.000 1.105 275 S CA -0.604 57.331 58.200 -0.442 0.000 0.899 275 S CB 0.998 63.875 63.200 -0.538 0.000 1.100 275 S HN 0.309 nan 8.310 nan 0.000 0.482 276 F N 1.532 121.439 119.950 -0.072 0.000 2.520 276 F HA 0.611 5.139 4.527 0.002 0.000 0.322 276 F C 0.466 176.504 175.800 0.396 0.000 1.103 276 F CA -0.847 57.277 58.000 0.208 0.000 0.926 276 F CB 1.368 40.526 39.000 0.263 0.000 1.154 276 F HN 0.146 nan 8.300 nan 0.000 0.453 277 R N 1.526 122.434 120.500 0.681 0.000 2.507 277 R HA 0.163 4.504 4.340 0.002 0.000 0.298 277 R C -0.806 175.667 176.300 0.288 0.000 1.087 277 R CA -0.680 55.705 56.100 0.475 0.000 0.917 277 R CB 1.378 31.976 30.300 0.496 0.000 1.173 277 R HN 0.568 nan 8.270 nan 0.000 0.472 278 N N 1.869 120.420 118.700 -0.249 0.000 3.117 278 N HA -0.075 4.666 4.740 0.002 0.000 0.323 278 N C -0.298 175.194 175.510 -0.031 0.000 1.245 278 N CA 0.164 52.875 53.050 -0.566 0.000 1.191 278 N CB 0.036 37.839 38.487 -1.139 0.000 1.451 278 N HN 0.319 nan 8.380 nan 0.000 0.555 279 E N 0.343 120.602 120.200 0.100 0.000 2.653 279 E HA -0.106 4.245 4.350 0.002 0.000 0.264 279 E C 1.162 177.823 176.600 0.103 0.000 0.949 279 E CA 0.310 56.772 56.400 0.103 0.000 0.953 279 E CB 0.333 30.099 29.700 0.110 0.000 0.925 279 E HN 0.378 nan 8.360 nan 0.000 0.475 280 I N 1.254 121.863 120.570 0.063 0.000 2.045 280 I HA -0.234 3.937 4.170 0.002 0.000 0.233 280 I C 1.117 177.196 176.117 -0.063 0.000 1.048 280 I CA 1.178 62.433 61.300 -0.075 0.000 1.313 280 I CB -0.168 37.741 38.000 -0.153 0.000 1.043 280 I HN 0.283 nan 8.210 nan 0.000 0.393 281 S N 1.810 117.506 115.700 -0.006 0.000 2.524 281 S HA 0.342 4.813 4.470 0.002 0.000 0.227 281 S C -2.449 172.207 174.600 0.093 0.000 1.304 281 S CA -1.363 56.860 58.200 0.038 0.000 1.185 281 S CB 0.589 63.829 63.200 0.067 0.000 1.104 281 S HN 0.017 nan 8.310 nan 0.000 0.475 282 P HA 0.388 nan 4.420 nan 0.000 0.282 282 P C -0.564 176.805 177.300 0.115 0.000 1.274 282 P CA -0.437 62.724 63.100 0.101 0.000 0.770 282 P CB 0.643 32.411 31.700 0.115 0.000 0.867 283 R N 1.364 121.929 120.500 0.107 0.000 2.592 283 R HA 0.199 4.540 4.340 0.002 0.000 0.439 283 R C 0.234 176.603 176.300 0.116 0.000 0.995 283 R CA -0.107 56.070 56.100 0.129 0.000 1.141 283 R CB 0.501 30.891 30.300 0.149 0.000 1.495 283 R HN 0.315 nan 8.270 nan 0.000 0.579 284 S N 0.489 116.173 115.700 -0.026 0.000 2.651 284 S HA 0.266 4.737 4.470 0.002 0.000 0.246 284 S C 0.893 175.225 174.600 -0.446 0.000 1.039 284 S CA 0.140 58.148 58.200 -0.320 0.000 1.013 284 S CB 1.201 64.026 63.200 -0.624 0.000 0.861 284 S HN 0.662 nan 8.310 nan 0.000 0.485 285 G N 2.504 111.202 108.800 -0.171 0.000 2.591 285 G HA2 -0.328 3.633 3.960 0.002 0.000 0.298 285 G HA3 -0.328 3.633 3.960 0.002 0.000 0.298 285 G C 0.598 175.113 174.900 -0.642 0.000 1.195 285 G CA 0.469 45.367 45.100 -0.337 0.000 0.989 285 G HN 0.433 nan 8.290 nan 0.000 0.551 286 L N 1.239 121.912 121.223 -0.916 0.000 2.551 286 L HA 0.092 4.433 4.340 0.002 0.000 0.228 286 L C 2.792 179.313 176.870 -0.581 0.000 1.153 286 L CA 0.036 54.410 54.840 -0.776 0.000 0.851 286 L CB -0.366 41.236 42.059 -0.761 0.000 0.959 286 L HN 0.424 nan 8.230 nan 0.000 0.451 287 I N -0.388 119.764 120.570 -0.697 0.000 2.439 287 I HA -0.122 4.049 4.170 0.002 0.000 0.251 287 I C 1.217 177.106 176.117 -0.381 0.000 1.139 287 I CA 1.186 62.154 61.300 -0.555 0.000 1.438 287 I CB -0.499 37.069 38.000 -0.720 0.000 1.085 287 I HN 0.181 nan 8.210 nan 0.000 0.427 288 R N 1.173 121.493 120.500 -0.301 0.000 2.407 288 R HA 0.461 4.803 4.340 0.002 0.000 0.298 288 R C -0.782 175.498 176.300 -0.035 0.000 1.166 288 R CA -0.162 55.847 56.100 -0.152 0.000 1.006 288 R CB 1.944 32.201 30.300 -0.073 0.000 1.145 288 R HN -0.002 nan 8.270 nan 0.000 0.538 289 V N -0.126 119.772 119.914 -0.028 0.000 3.046 289 V HA 0.554 4.675 4.120 0.002 0.000 0.316 289 V C 0.604 176.838 176.094 0.233 0.000 1.104 289 V CA -1.150 61.236 62.300 0.143 0.000 1.006 289 V CB 2.471 34.399 31.823 0.175 0.000 1.058 289 V HN 0.624 nan 8.190 nan 0.000 0.440 290 R N 0.208 120.898 120.500 0.316 0.000 2.393 290 R HA 0.442 4.783 4.340 0.002 0.000 0.244 290 R C 0.074 176.624 176.300 0.417 0.000 0.920 290 R CA 0.121 56.483 56.100 0.437 0.000 1.076 290 R CB 0.387 30.990 30.300 0.505 0.000 1.119 290 R HN 0.903 nan 8.270 nan 0.000 0.524 291 E N 0.787 121.178 120.200 0.318 0.000 2.397 291 E HA 0.237 4.588 4.350 0.002 0.000 0.293 291 E C -1.654 175.054 176.600 0.179 0.000 0.930 291 E CA -0.672 55.723 56.400 -0.009 0.000 0.793 291 E CB 1.054 30.679 29.700 -0.125 0.000 1.259 291 E HN -0.009 nan 8.360 nan 0.000 0.406 292 F N -0.576 119.250 119.950 -0.208 0.000 2.713 292 F HA 0.531 5.059 4.527 0.002 0.000 0.311 292 F C -1.060 174.630 175.800 -0.183 0.000 1.141 292 F CA -0.962 56.955 58.000 -0.137 0.000 0.939 292 F CB 1.257 40.212 39.000 -0.075 0.000 1.325 292 F HN 0.046 nan 8.300 nan 0.000 0.453 293 T N 4.030 118.544 114.554 -0.067 0.000 2.771 293 T HA 0.638 4.989 4.350 0.002 0.000 0.291 293 T C -0.278 174.360 174.700 -0.104 0.000 0.954 293 T CA -0.450 61.542 62.100 -0.180 0.000 1.045 293 T CB 0.627 69.382 68.868 -0.190 0.000 0.917 293 T HN 0.749 nan 8.240 nan 0.000 0.484 294 M N 1.619 121.104 119.600 -0.193 0.000 2.457 294 M HA 0.878 5.359 4.480 0.002 0.000 0.300 294 M C -1.246 174.884 176.300 -0.283 0.000 1.141 294 M CA -1.266 53.949 55.300 -0.142 0.000 0.901 294 M CB 2.136 34.722 32.600 -0.022 0.000 1.687 294 M HN 0.478 nan 8.290 nan 0.000 0.449 295 A N 2.694 125.260 122.820 -0.424 0.000 2.258 295 A HA 0.691 5.012 4.320 0.002 0.000 0.316 295 A C -0.878 176.488 177.584 -0.363 0.000 1.279 295 A CA -0.507 51.093 52.037 -0.728 0.000 0.876 295 A CB 0.591 18.461 19.000 -1.884 0.000 1.170 295 A HN 0.924 nan 8.150 nan 0.000 0.520 296 E N 2.134 122.221 120.200 -0.188 0.000 2.222 296 E HA 0.545 4.896 4.350 0.002 0.000 0.267 296 E C -1.229 175.384 176.600 0.022 0.000 0.884 296 E CA -0.440 55.939 56.400 -0.034 0.000 0.764 296 E CB 2.340 31.986 29.700 -0.090 0.000 1.169 296 E HN 0.640 nan 8.360 nan 0.000 0.413 297 I N 2.183 122.779 120.570 0.044 0.000 2.441 297 I HA 0.226 4.397 4.170 0.002 0.000 0.295 297 I C -0.276 175.776 176.117 -0.108 0.000 0.994 297 I CA -0.824 60.480 61.300 0.007 0.000 1.144 297 I CB 1.500 39.501 38.000 0.002 0.000 1.314 297 I HN 0.277 nan 8.210 nan 0.000 0.445 298 E N 5.023 125.133 120.200 -0.149 0.000 2.183 298 E HA 0.169 4.520 4.350 0.002 0.000 0.250 298 E C -0.653 175.703 176.600 -0.408 0.000 0.901 298 E CA -0.404 55.783 56.400 -0.355 0.000 0.741 298 E CB 0.798 30.181 29.700 -0.529 0.000 1.182 298 E HN 0.396 nan 8.360 nan 0.000 0.425 299 H N 4.229 123.122 119.070 -0.294 0.000 3.008 299 H HA 0.135 4.692 4.556 0.002 0.000 0.268 299 H C -0.791 174.416 175.328 -0.203 0.000 1.323 299 H CA -0.475 55.520 56.048 -0.089 0.000 1.401 299 H CB -0.406 29.536 29.762 0.300 0.000 1.556 299 H HN 0.216 nan 8.280 nan 0.000 0.502 300 F N 4.701 124.463 119.950 -0.314 0.000 2.462 300 F HA 0.112 4.640 4.527 0.002 0.000 0.360 300 F C 0.560 176.269 175.800 -0.152 0.000 1.134 300 F CA 0.063 57.899 58.000 -0.273 0.000 1.148 300 F CB 0.396 39.028 39.000 -0.615 0.000 1.147 300 F HN 0.171 nan 8.300 nan 0.000 0.550 301 V N 3.752 123.799 119.914 0.221 0.000 3.074 301 V HA 0.376 4.497 4.120 0.002 0.000 0.314 301 V C -0.737 175.467 176.094 0.184 0.000 1.117 301 V CA -0.826 61.606 62.300 0.219 0.000 1.014 301 V CB 2.140 34.145 31.823 0.303 0.000 1.057 301 V HN 0.644 nan 8.190 nan 0.000 0.438 302 D N 5.068 125.559 120.400 0.151 0.000 2.312 302 D HA 0.260 4.901 4.640 0.002 0.000 0.252 302 D C -1.576 174.783 176.300 0.098 0.000 1.150 302 D CA -1.539 52.534 54.000 0.122 0.000 0.870 302 D CB 2.167 43.030 40.800 0.105 0.000 1.153 302 D HN 0.405 nan 8.370 nan 0.000 0.457 303 P HA -0.196 nan 4.420 nan 0.000 0.217 303 P C 1.028 178.359 177.300 0.052 0.000 1.148 303 P CA 1.174 64.314 63.100 0.067 0.000 0.834 303 P CB 0.135 31.870 31.700 0.059 0.000 0.783 304 S N -2.024 113.705 115.700 0.050 0.000 2.575 304 S HA 0.086 4.557 4.470 0.002 0.000 0.215 304 S C 1.111 175.730 174.600 0.032 0.000 0.966 304 S CA -0.014 58.208 58.200 0.036 0.000 0.911 304 S CB -0.335 62.885 63.200 0.034 0.000 0.780 304 S HN 0.015 nan 8.310 nan 0.000 0.514 305 E N 1.239 121.465 120.200 0.043 0.000 2.736 305 E HA 0.226 4.577 4.350 0.002 0.000 0.208 305 E C -0.689 175.933 176.600 0.036 0.000 0.996 305 E CA -0.128 56.294 56.400 0.035 0.000 1.104 305 E CB 0.355 30.083 29.700 0.045 0.000 1.111 305 E HN 0.503 nan 8.360 nan 0.000 0.455 306 K N 1.614 122.033 120.400 0.031 0.000 2.652 306 K HA 0.037 4.358 4.320 0.002 0.000 0.239 306 K C -0.628 175.963 176.600 -0.015 0.000 1.235 306 K CA 0.278 56.580 56.287 0.025 0.000 1.191 306 K CB -0.221 32.294 32.500 0.024 0.000 1.348 306 K HN 0.008 nan 8.250 nan 0.000 0.239 307 D N -0.281 120.108 120.400 -0.018 0.000 2.896 307 D HA 0.119 4.761 4.640 0.002 0.000 0.241 307 D C -1.391 174.884 176.300 -0.043 0.000 1.188 307 D CA -0.548 53.423 54.000 -0.048 0.000 0.879 307 D CB 0.927 41.698 40.800 -0.048 0.000 1.553 307 D HN 0.178 nan 8.370 nan 0.000 0.515 308 H N 3.850 122.841 119.070 -0.133 0.000 2.504 308 H HA 0.296 4.853 4.556 0.002 0.000 0.322 308 H C -1.838 173.393 175.328 -0.163 0.000 1.055 308 H CA -2.113 53.831 56.048 -0.173 0.000 1.231 308 H CB 1.862 31.461 29.762 -0.271 0.000 1.417 308 H HN 0.238 nan 8.280 nan 0.000 0.472 309 P HA -0.129 nan 4.420 nan 0.000 0.216 309 P C 0.662 177.964 177.300 0.004 0.000 1.150 309 P CA 1.570 64.641 63.100 -0.049 0.000 0.843 309 P CB 0.395 32.016 31.700 -0.132 0.000 0.787 310 K N -2.271 118.138 120.400 0.014 0.000 2.444 310 K HA 0.054 4.375 4.320 0.002 0.000 0.193 310 K C 1.556 178.012 176.600 -0.240 0.000 1.024 310 K CA -0.065 56.081 56.287 -0.234 0.000 1.077 310 K CB -0.472 31.721 32.500 -0.511 0.000 0.833 310 K HN 0.072 nan 8.250 nan 0.000 0.517 311 F N 2.565 122.362 119.950 -0.256 0.000 2.184 311 F HA -0.293 4.235 4.527 0.002 0.000 0.301 311 F C 2.121 177.906 175.800 -0.025 0.000 1.076 311 F CA 1.635 59.585 58.000 -0.084 0.000 1.295 311 F CB 0.017 38.975 39.000 -0.068 0.000 1.026 311 F HN 0.013 nan 8.300 nan 0.000 0.494 312 Q N 0.594 120.351 119.800 -0.073 0.000 2.500 312 Q HA -0.127 4.214 4.340 0.002 0.000 0.213 312 Q C 1.441 177.332 176.000 -0.181 0.000 0.974 312 Q CA 1.458 57.178 55.803 -0.138 0.000 0.918 312 Q CB -0.764 27.961 28.738 -0.022 0.000 0.980 312 Q HN 0.628 nan 8.270 nan 0.000 0.505 313 N N -1.523 117.087 118.700 -0.150 0.000 2.457 313 N HA -0.047 4.694 4.740 0.002 0.000 0.180 313 N C 0.696 176.115 175.510 -0.152 0.000 1.050 313 N CA 0.897 53.889 53.050 -0.096 0.000 0.906 313 N CB 0.572 39.058 38.487 -0.001 0.000 0.968 313 N HN 0.204 nan 8.380 nan 0.000 0.445 314 V N -3.854 115.886 119.914 -0.289 0.000 3.252 314 V HA 0.523 4.644 4.120 0.002 0.000 0.320 314 V C 1.359 177.143 176.094 -0.517 0.000 1.459 314 V CA -0.222 61.878 62.300 -0.332 0.000 1.095 314 V CB 0.159 31.806 31.823 -0.294 0.000 0.997 314 V HN 0.008 nan 8.190 nan 0.000 0.469 315 A N 0.132 122.579 122.820 -0.623 0.000 2.015 315 A HA -0.062 4.259 4.320 0.002 0.000 0.219 315 A C 1.571 178.958 177.584 -0.329 0.000 1.163 315 A CA 1.764 53.454 52.037 -0.579 0.000 0.646 315 A CB -0.368 18.382 19.000 -0.416 0.000 0.806 315 A HN 0.539 nan 8.150 nan 0.000 0.448 316 D N -0.126 120.097 120.400 -0.295 0.000 2.370 316 D HA 0.212 4.854 4.640 0.002 0.000 0.230 316 D C -0.298 175.736 176.300 -0.443 0.000 1.143 316 D CA 0.136 53.951 54.000 -0.309 0.000 0.834 316 D CB 0.103 40.786 40.800 -0.196 0.000 0.944 316 D HN 0.350 nan 8.370 nan 0.000 0.504 317 L N 1.293 122.271 121.223 -0.408 0.000 2.292 317 L HA 0.193 4.534 4.340 0.002 0.000 0.284 317 L C 0.240 176.830 176.870 -0.466 0.000 1.065 317 L CA -0.404 54.207 54.840 -0.381 0.000 0.806 317 L CB 1.068 42.959 42.059 -0.281 0.000 1.175 317 L HN -0.061 nan 8.230 nan 0.000 0.431 318 H N 5.321 124.287 119.070 -0.173 0.000 2.685 318 H HA 0.454 5.011 4.556 0.002 0.000 0.286 318 H C -0.667 174.519 175.328 -0.237 0.000 1.102 318 H CA -0.586 55.356 56.048 -0.176 0.000 1.254 318 H CB 1.001 30.696 29.762 -0.112 0.000 1.397 318 H HN 0.282 nan 8.280 nan 0.000 0.473 319 L N 0.018 121.142 121.223 -0.165 0.000 2.371 319 L HA 0.461 4.802 4.340 0.002 0.000 0.262 319 L C -0.811 176.075 176.870 0.026 0.000 1.006 319 L CA -1.486 53.287 54.840 -0.113 0.000 0.818 319 L CB 0.426 42.284 42.059 -0.335 0.000 1.354 319 L HN 0.070 nan 8.230 nan 0.000 0.415 320 Y N 1.989 122.358 120.300 0.116 0.000 2.496 320 Y HA 0.541 5.092 4.550 0.002 0.000 0.334 320 Y C -0.062 175.967 175.900 0.216 0.000 1.080 320 Y CA -0.008 58.176 58.100 0.140 0.000 1.355 320 Y CB 0.415 38.949 38.460 0.123 0.000 1.193 320 Y HN 0.397 nan 8.280 nan 0.000 0.523 321 L N 4.519 125.921 121.223 0.298 0.000 2.322 321 L HA 0.311 4.652 4.340 0.002 0.000 0.281 321 L C -0.969 176.156 176.870 0.425 0.000 1.014 321 L CA -0.973 54.106 54.840 0.400 0.000 0.815 321 L CB 1.294 43.526 42.059 0.289 0.000 1.247 321 L HN 0.510 nan 8.230 nan 0.000 0.421 322 Y N 3.270 123.721 120.300 0.253 0.000 2.837 322 Y HA 0.256 4.807 4.550 0.002 0.000 0.356 322 Y C 0.649 176.527 175.900 -0.036 0.000 1.035 322 Y CA -1.377 56.758 58.100 0.058 0.000 1.165 322 Y CB 0.493 38.911 38.460 -0.070 0.000 1.147 322 Y HN 0.689 nan 8.280 nan 0.000 0.628 323 S N 1.236 116.925 115.700 -0.018 0.000 2.589 323 S HA 0.200 4.671 4.470 0.002 0.000 0.256 323 S C 1.558 175.920 174.600 -0.397 0.000 1.383 323 S CA 0.015 58.101 58.200 -0.190 0.000 0.983 323 S CB 0.856 64.078 63.200 0.038 0.000 0.908 323 S HN 0.696 nan 8.310 nan 0.000 0.572 324 A N 1.243 123.855 122.820 -0.346 0.000 1.898 324 A HA -0.042 4.279 4.320 0.002 0.000 0.216 324 A C 2.217 179.657 177.584 -0.240 0.000 1.181 324 A CA 1.443 53.297 52.037 -0.305 0.000 0.620 324 A CB -0.797 18.070 19.000 -0.222 0.000 0.819 324 A HN 0.888 nan 8.150 nan 0.000 0.442 325 K N -0.165 120.138 120.400 -0.162 0.000 1.991 325 K HA -0.097 4.224 4.320 0.002 0.000 0.212 325 K C 2.280 178.795 176.600 -0.142 0.000 1.049 325 K CA 1.244 57.464 56.287 -0.112 0.000 0.932 325 K CB -0.438 32.030 32.500 -0.054 0.000 0.717 325 K HN 0.403 nan 8.250 nan 0.000 0.441 326 A N 1.552 124.271 122.820 -0.168 0.000 2.042 326 A HA -0.289 4.032 4.320 0.002 0.000 0.222 326 A C 1.983 179.407 177.584 -0.268 0.000 1.167 326 A CA 1.730 53.669 52.037 -0.164 0.000 0.649 326 A CB -0.493 18.429 19.000 -0.131 0.000 0.809 326 A HN 0.401 nan 8.150 nan 0.000 0.457 327 Q N -1.147 118.388 119.800 -0.442 0.000 2.163 327 Q HA 0.021 4.362 4.340 0.002 0.000 0.198 327 Q C 1.913 177.809 176.000 -0.173 0.000 0.954 327 Q CA 1.229 56.799 55.803 -0.388 0.000 0.851 327 Q CB -0.053 28.386 28.738 -0.499 0.000 0.928 327 Q HN 0.501 nan 8.270 nan 0.000 0.459 328 V N 0.887 120.711 119.914 -0.150 0.000 2.951 328 V HA -0.091 4.030 4.120 0.002 0.000 0.255 328 V C 1.754 177.820 176.094 -0.047 0.000 1.088 328 V CA 1.550 63.800 62.300 -0.083 0.000 1.109 328 V CB 0.053 31.831 31.823 -0.075 0.000 0.724 328 V HN 0.333 nan 8.190 nan 0.000 0.471 329 S N 0.034 115.704 115.700 -0.050 0.000 2.614 329 S HA 0.320 4.791 4.470 0.002 0.000 0.230 329 S C 1.628 176.228 174.600 -0.001 0.000 0.952 329 S CA 0.360 58.548 58.200 -0.019 0.000 0.949 329 S CB 0.184 63.374 63.200 -0.017 0.000 0.786 329 S HN 0.905 nan 8.310 nan 0.000 0.478 330 G N 1.826 110.626 108.800 -0.000 0.000 2.244 330 G HA2 -0.350 3.611 3.960 0.002 0.000 0.274 330 G HA3 -0.350 3.611 3.960 0.002 0.000 0.274 330 G C -0.009 174.925 174.900 0.056 0.000 1.002 330 G CA 0.958 46.077 45.100 0.030 0.000 0.740 330 G HN 0.902 nan 8.290 nan 0.000 0.516 331 Q N -0.562 119.274 119.800 0.060 0.000 2.169 331 Q HA 0.779 5.120 4.340 0.002 0.000 0.234 331 Q C 0.333 176.443 176.000 0.183 0.000 0.980 331 Q CA -0.498 55.359 55.803 0.090 0.000 0.941 331 Q CB 1.144 29.920 28.738 0.065 0.000 1.199 331 Q HN 0.165 nan 8.270 nan 0.000 0.496 332 S N -0.180 115.620 115.700 0.167 0.000 2.661 332 S HA 0.562 5.033 4.470 0.002 0.000 0.265 332 S C -0.298 174.469 174.600 0.279 0.000 1.225 332 S CA -0.418 57.898 58.200 0.193 0.000 0.986 332 S CB 0.877 64.130 63.200 0.087 0.000 1.008 332 S HN 0.722 nan 8.310 nan 0.000 0.565 333 A N 0.715 123.646 122.820 0.184 0.000 2.327 333 A HA 0.563 4.884 4.320 0.002 0.000 0.283 333 A C 0.046 177.737 177.584 0.179 0.000 1.127 333 A CA -0.485 51.716 52.037 0.273 0.000 0.810 333 A CB 0.237 19.287 19.000 0.084 0.000 1.066 333 A HN 0.729 nan 8.150 nan 0.000 0.492 334 R N 0.697 121.289 120.500 0.153 0.000 2.598 334 R HA 0.417 4.758 4.340 0.002 0.000 0.279 334 R C -0.291 175.972 176.300 -0.063 0.000 0.984 334 R CA -0.653 55.473 56.100 0.044 0.000 0.999 334 R CB 1.458 31.784 30.300 0.044 0.000 1.114 334 R HN 0.698 nan 8.270 nan 0.000 0.493 335 K N 4.020 124.269 120.400 -0.250 0.000 2.290 335 K HA 0.223 4.544 4.320 0.002 0.000 0.250 335 K C -0.578 175.896 176.600 -0.210 0.000 1.092 335 K CA -0.047 55.961 56.287 -0.465 0.000 1.006 335 K CB 0.379 32.349 32.500 -0.884 0.000 1.549 335 K HN 0.469 nan 8.250 nan 0.000 0.436 336 M N 1.600 121.144 119.600 -0.094 0.000 2.513 336 M HA 0.374 4.855 4.480 0.002 0.000 0.291 336 M C 0.222 176.553 176.300 0.051 0.000 1.190 336 M CA -0.843 54.448 55.300 -0.015 0.000 0.960 336 M CB 1.132 33.728 32.600 -0.006 0.000 1.517 336 M HN 0.303 nan 8.290 nan 0.000 0.499 337 R N 0.927 121.485 120.500 0.097 0.000 2.254 337 R HA 0.283 4.624 4.340 0.002 0.000 0.318 337 R C 0.652 176.914 176.300 -0.063 0.000 1.031 337 R CA -0.282 55.833 56.100 0.024 0.000 0.905 337 R CB 0.585 30.923 30.300 0.064 0.000 1.050 337 R HN 0.859 nan 8.270 nan 0.000 0.456 338 L N 3.870 125.004 121.223 -0.147 0.000 2.064 338 L HA -0.249 4.093 4.340 0.002 0.000 0.216 338 L C 1.868 178.796 176.870 0.096 0.000 1.077 338 L CA 2.219 56.999 54.840 -0.101 0.000 0.766 338 L CB -0.374 41.559 42.059 -0.211 0.000 0.890 338 L HN 1.031 nan 8.230 nan 0.000 0.435 339 G N -1.091 107.751 108.800 0.071 0.000 2.404 339 G HA2 -0.273 3.688 3.960 0.002 0.000 0.215 339 G HA3 -0.273 3.688 3.960 0.002 0.000 0.215 339 G C 0.978 175.946 174.900 0.112 0.000 1.174 339 G CA 0.920 46.153 45.100 0.221 0.000 0.780 339 G HN 0.381 nan 8.290 nan 0.000 0.537 340 D N 0.941 121.371 120.400 0.050 0.000 2.149 340 D HA 0.011 4.652 4.640 0.002 0.000 0.198 340 D C 2.721 179.030 176.300 0.015 0.000 0.990 340 D CA 1.194 55.212 54.000 0.031 0.000 0.839 340 D CB -0.229 40.589 40.800 0.030 0.000 0.948 340 D HN 0.327 nan 8.370 nan 0.000 0.460 341 A N 0.233 123.055 122.820 0.004 0.000 1.877 341 A HA -0.149 4.172 4.320 0.002 0.000 0.216 341 A C 2.359 179.918 177.584 -0.042 0.000 1.186 341 A CA 1.272 53.294 52.037 -0.024 0.000 0.620 341 A CB -0.752 18.204 19.000 -0.074 0.000 0.822 341 A HN 0.164 nan 8.150 nan 0.000 0.443 342 V N 0.178 120.060 119.914 -0.053 0.000 2.515 342 V HA -0.181 3.940 4.120 0.002 0.000 0.250 342 V C 2.496 178.541 176.094 -0.083 0.000 1.058 342 V CA 1.877 64.106 62.300 -0.119 0.000 1.064 342 V CB -0.739 30.928 31.823 -0.261 0.000 0.675 342 V HN 0.489 nan 8.190 nan 0.000 0.461 343 E N 0.577 120.752 120.200 -0.042 0.000 2.007 343 E HA -0.233 4.118 4.350 0.002 0.000 0.194 343 E C 2.119 178.709 176.600 -0.016 0.000 0.999 343 E CA 1.259 57.644 56.400 -0.026 0.000 0.811 343 E CB -0.415 29.284 29.700 -0.002 0.000 0.762 343 E HN 0.674 nan 8.360 nan 0.000 0.450 344 Q N -0.262 119.535 119.800 -0.004 0.000 2.594 344 Q HA 0.015 4.356 4.340 0.002 0.000 0.219 344 Q C 0.935 176.940 176.000 0.009 0.000 0.980 344 Q CA 0.509 56.315 55.803 0.005 0.000 0.962 344 Q CB -0.183 28.563 28.738 0.013 0.000 0.987 344 Q HN 0.497 nan 8.270 nan 0.000 0.553 345 G N -0.476 108.323 108.800 -0.002 0.000 2.189 345 G HA2 -0.360 3.601 3.960 0.002 0.000 0.267 345 G HA3 -0.360 3.601 3.960 0.002 0.000 0.267 345 G C 0.900 175.821 174.900 0.036 0.000 0.975 345 G CA 0.469 45.573 45.100 0.007 0.000 0.644 345 G HN 0.315 nan 8.290 nan 0.000 0.537 346 V N 0.774 120.715 119.914 0.045 0.000 2.214 346 V HA -0.054 4.067 4.120 0.002 0.000 0.245 346 V C 1.925 178.103 176.094 0.141 0.000 1.047 346 V CA 2.048 64.415 62.300 0.111 0.000 0.998 346 V CB -0.349 31.534 31.823 0.100 0.000 0.633 346 V HN 0.480 nan 8.190 nan 0.000 0.446 347 I N 1.351 121.905 120.570 -0.027 0.000 2.379 347 I HA 0.075 4.246 4.170 0.002 0.000 0.290 347 I C 1.398 177.469 176.117 -0.078 0.000 1.063 347 I CA 0.354 61.557 61.300 -0.161 0.000 1.351 347 I CB 0.174 37.935 38.000 -0.398 0.000 1.410 347 I HN 0.315 nan 8.210 nan 0.000 0.505 348 N N 5.493 124.201 118.700 0.014 0.000 2.043 348 N HA -0.269 4.472 4.740 0.002 0.000 0.195 348 N C 0.557 176.029 175.510 -0.063 0.000 1.052 348 N CA 2.195 55.250 53.050 0.009 0.000 0.891 348 N CB 0.106 38.628 38.487 0.057 0.000 1.078 348 N HN 0.823 nan 8.380 nan 0.000 0.532 349 N N -2.153 116.499 118.700 -0.080 0.000 2.671 349 N HA 0.161 4.903 4.740 0.002 0.000 0.303 349 N C 0.492 175.858 175.510 -0.240 0.000 1.277 349 N CA 0.026 52.997 53.050 -0.132 0.000 0.933 349 N CB 0.515 38.958 38.487 -0.074 0.000 1.190 349 N HN 0.253 nan 8.380 nan 0.000 0.600 350 T N -3.746 110.621 114.554 -0.310 0.000 3.054 350 T HA 0.039 4.391 4.350 0.002 0.000 0.259 350 T C 1.599 176.186 174.700 -0.187 0.000 1.092 350 T CA 0.297 62.085 62.100 -0.519 0.000 1.121 350 T CB -0.555 67.910 68.868 -0.672 0.000 0.912 350 T HN 0.197 nan 8.240 nan 0.000 0.489 351 V N 1.585 121.445 119.914 -0.090 0.000 2.261 351 V HA -0.085 4.036 4.120 0.002 0.000 0.246 351 V C 2.524 178.597 176.094 -0.037 0.000 1.047 351 V CA 1.586 63.856 62.300 -0.050 0.000 1.015 351 V CB -0.800 31.001 31.823 -0.036 0.000 0.642 351 V HN 0.377 nan 8.190 nan 0.000 0.446 352 L N 1.110 122.341 121.223 0.013 0.000 2.083 352 L HA -0.014 4.327 4.340 0.002 0.000 0.209 352 L C 2.295 179.163 176.870 -0.003 0.000 1.083 352 L CA 2.268 57.146 54.840 0.064 0.000 0.752 352 L CB -1.118 40.939 42.059 -0.004 0.000 0.899 352 L HN 0.291 nan 8.230 nan 0.000 0.433 353 G N -1.921 106.848 108.800 -0.052 0.000 2.408 353 G HA2 -0.347 3.614 3.960 0.002 0.000 0.217 353 G HA3 -0.347 3.614 3.960 0.002 0.000 0.217 353 G C 1.520 176.542 174.900 0.203 0.000 1.150 353 G CA 0.800 45.930 45.100 0.050 0.000 0.776 353 G HN 0.488 nan 8.290 nan 0.000 0.542 354 Y N 0.848 121.180 120.300 0.053 0.000 2.145 354 Y HA -0.010 4.541 4.550 0.002 0.000 0.286 354 Y C 2.380 178.178 175.900 -0.170 0.000 1.145 354 Y CA 1.176 59.169 58.100 -0.179 0.000 1.148 354 Y CB -0.524 37.535 38.460 -0.667 0.000 0.981 354 Y HN 0.215 nan 8.280 nan 0.000 0.507 355 F N -0.304 119.577 119.950 -0.116 0.000 2.171 355 F HA -0.239 4.289 4.527 0.002 0.000 0.300 355 F C 2.340 178.144 175.800 0.008 0.000 1.090 355 F CA 1.054 59.019 58.000 -0.058 0.000 1.293 355 F CB -0.316 38.736 39.000 0.087 0.000 1.013 355 F HN 0.028 nan 8.300 nan 0.000 0.486 356 I N -0.242 120.391 120.570 0.104 0.000 2.286 356 I HA -0.240 3.931 4.170 0.002 0.000 0.248 356 I C 2.681 178.726 176.117 -0.121 0.000 1.115 356 I CA 1.404 62.643 61.300 -0.102 0.000 1.392 356 I CB -0.984 36.742 38.000 -0.457 0.000 1.065 356 I HN 0.179 nan 8.210 nan 0.000 0.418 357 G N 0.462 109.189 108.800 -0.122 0.000 2.404 357 G HA2 -0.156 3.805 3.960 0.002 0.000 0.214 357 G HA3 -0.156 3.805 3.960 0.002 0.000 0.214 357 G C 1.779 176.713 174.900 0.056 0.000 1.189 357 G CA 0.081 45.133 45.100 -0.080 0.000 0.789 357 G HN 0.136 nan 8.290 nan 0.000 0.533 358 R N 0.186 120.629 120.500 -0.094 0.000 2.103 358 R HA -0.018 4.323 4.340 0.002 0.000 0.242 358 R C 2.556 179.106 176.300 0.417 0.000 1.142 358 R CA 0.936 57.033 56.100 -0.006 0.000 0.960 358 R CB -0.688 29.442 30.300 -0.282 0.000 0.858 358 R HN 0.434 nan 8.270 nan 0.000 0.439 359 I N -0.404 120.513 120.570 0.579 0.000 2.142 359 I HA -0.325 3.846 4.170 0.002 0.000 0.240 359 I C 2.408 178.907 176.117 0.636 0.000 1.078 359 I CA 1.306 63.069 61.300 0.772 0.000 1.343 359 I CB -0.514 37.899 38.000 0.689 0.000 1.046 359 I HN 0.081 nan 8.210 nan 0.000 0.405 360 Y N 1.910 122.512 120.300 0.505 0.000 2.114 360 Y HA -0.287 4.264 4.550 0.002 0.000 0.282 360 Y C 2.324 178.382 175.900 0.264 0.000 1.165 360 Y CA 1.722 60.085 58.100 0.439 0.000 1.148 360 Y CB -0.497 38.150 38.460 0.313 0.000 0.972 360 Y HN 0.018 nan 8.280 nan 0.000 0.504 361 L N -1.274 120.042 121.223 0.156 0.000 2.012 361 L HA -0.266 4.075 4.340 0.002 0.000 0.210 361 L C 2.389 179.195 176.870 -0.108 0.000 1.073 361 L CA 1.909 56.761 54.840 0.019 0.000 0.748 361 L CB -1.054 41.133 42.059 0.214 0.000 0.891 361 L HN 0.331 nan 8.230 nan 0.000 0.431 362 Y N 0.940 121.069 120.300 -0.286 0.000 2.070 362 Y HA -0.271 4.280 4.550 0.002 0.000 0.280 362 Y C 2.411 178.233 175.900 -0.129 0.000 1.148 362 Y CA 1.606 59.431 58.100 -0.459 0.000 1.125 362 Y CB -0.470 37.874 38.460 -0.193 0.000 0.975 362 Y HN -0.040 nan 8.280 nan 0.000 0.492 363 L N -0.755 120.419 121.223 -0.083 0.000 2.043 363 L HA -0.299 4.043 4.340 0.002 0.000 0.212 363 L C 2.321 179.045 176.870 -0.244 0.000 1.075 363 L CA 2.023 56.766 54.840 -0.162 0.000 0.752 363 L CB -1.089 40.998 42.059 0.048 0.000 0.891 363 L HN 0.264 nan 8.230 nan 0.000 0.432 364 T N -0.833 113.551 114.554 -0.282 0.000 2.777 364 T HA -0.220 4.131 4.350 0.002 0.000 0.266 364 T C 1.919 176.496 174.700 -0.205 0.000 1.040 364 T CA 1.448 63.381 62.100 -0.278 0.000 1.141 364 T CB -0.097 68.497 68.868 -0.458 0.000 0.868 364 T HN 0.251 nan 8.240 nan 0.000 0.444 365 K N 0.860 121.120 120.400 -0.232 0.000 2.148 365 K HA -0.036 4.285 4.320 0.002 0.000 0.204 365 K C 1.993 178.468 176.600 -0.209 0.000 1.050 365 K CA 0.788 56.969 56.287 -0.176 0.000 0.942 365 K CB -0.137 32.273 32.500 -0.151 0.000 0.724 365 K HN 0.139 nan 8.250 nan 0.000 0.446 366 V N -0.503 119.201 119.914 -0.350 0.000 2.667 366 V HA 0.020 4.141 4.120 0.002 0.000 0.252 366 V C 1.499 177.466 176.094 -0.212 0.000 1.065 366 V CA 1.534 63.626 62.300 -0.346 0.000 1.083 366 V CB 0.349 31.846 31.823 -0.543 0.000 0.692 366 V HN 0.711 nan 8.190 nan 0.000 0.468 367 G N -0.881 107.828 108.800 -0.151 0.000 2.559 367 G HA2 -0.092 3.869 3.960 0.002 0.000 0.202 367 G HA3 -0.092 3.869 3.960 0.002 0.000 0.202 367 G C -0.028 174.873 174.900 0.002 0.000 0.992 367 G CA -0.497 44.574 45.100 -0.048 0.000 0.764 367 G HN 0.205 nan 8.290 nan 0.000 0.525 368 I N 2.253 122.808 120.570 -0.025 0.000 2.696 368 I HA 0.335 4.506 4.170 0.002 0.000 0.284 368 I C 0.761 176.945 176.117 0.113 0.000 1.129 368 I CA 0.095 61.464 61.300 0.115 0.000 1.410 368 I CB 1.044 39.074 38.000 0.050 0.000 1.399 368 I HN 0.045 nan 8.210 nan 0.000 0.579 369 S N 7.648 123.433 115.700 0.142 0.000 2.489 369 S HA 0.214 4.685 4.470 0.002 0.000 0.277 369 S C -1.492 173.112 174.600 0.007 0.000 1.230 369 S CA -0.913 57.253 58.200 -0.058 0.000 1.053 369 S CB 1.223 64.230 63.200 -0.321 0.000 0.955 369 S HN 0.444 nan 8.310 nan 0.000 0.488 370 P HA -0.157 nan 4.420 nan 0.000 0.216 370 P C 1.091 178.484 177.300 0.155 0.000 1.150 370 P CA 0.976 64.216 63.100 0.234 0.000 0.837 370 P CB 0.027 31.900 31.700 0.289 0.000 0.786 371 D N -0.540 119.879 120.400 0.032 0.000 2.378 371 D HA -0.112 4.529 4.640 0.002 0.000 0.227 371 D C 0.680 176.889 176.300 -0.151 0.000 1.012 371 D CA 0.808 54.760 54.000 -0.080 0.000 0.905 371 D CB -0.311 40.460 40.800 -0.048 0.000 0.895 371 D HN 0.258 nan 8.370 nan 0.000 0.532 372 K N -0.189 120.138 120.400 -0.121 0.000 2.592 372 K HA 0.252 4.573 4.320 0.002 0.000 0.203 372 K C -0.535 176.114 176.600 0.082 0.000 1.070 372 K CA -0.487 55.702 56.287 -0.165 0.000 1.062 372 K CB 1.107 33.333 32.500 -0.456 0.000 0.814 372 K HN -0.028 nan 8.250 nan 0.000 0.502 373 L N 1.577 122.933 121.223 0.221 0.000 2.385 373 L HA 0.513 4.854 4.340 0.002 0.000 0.273 373 L C -1.202 175.885 176.870 0.362 0.000 0.990 373 L CA -0.499 54.541 54.840 0.333 0.000 0.821 373 L CB 1.237 43.482 42.059 0.309 0.000 1.279 373 L HN 0.212 nan 8.230 nan 0.000 0.412 374 R N 2.747 123.419 120.500 0.287 0.000 2.710 374 R HA 0.622 4.963 4.340 0.002 0.000 0.270 374 R C -1.978 174.374 176.300 0.086 0.000 1.021 374 R CA -0.723 55.509 56.100 0.221 0.000 0.889 374 R CB 1.090 31.321 30.300 -0.115 0.000 1.243 374 R HN 0.368 nan 8.270 nan 0.000 0.464 375 F N 1.144 121.247 119.950 0.254 0.000 2.375 375 F HA 0.502 5.030 4.527 0.002 0.000 0.361 375 F C 0.439 176.486 175.800 0.411 0.000 1.117 375 F CA -0.669 57.542 58.000 0.352 0.000 1.037 375 F CB 1.726 40.966 39.000 0.401 0.000 1.192 375 F HN 0.360 nan 8.300 nan 0.000 0.452 376 R N 2.980 123.679 120.500 0.331 0.000 2.368 376 R HA 0.345 4.686 4.340 0.002 0.000 0.302 376 R C -0.492 175.694 176.300 -0.190 0.000 1.002 376 R CA -0.558 55.617 56.100 0.124 0.000 0.929 376 R CB 1.176 31.544 30.300 0.113 0.000 1.073 376 R HN 0.756 nan 8.270 nan 0.000 0.464 377 Q N 2.776 122.146 119.800 -0.716 0.000 2.235 377 Q HA 0.135 4.476 4.340 0.002 0.000 0.250 377 Q C -0.718 175.007 176.000 -0.458 0.000 0.909 377 Q CA -0.485 54.615 55.803 -1.171 0.000 0.910 377 Q CB 0.932 28.579 28.738 -1.818 0.000 1.223 377 Q HN 0.688 nan 8.270 nan 0.000 0.432 378 H N 1.945 120.740 119.070 -0.458 0.000 2.745 378 H HA 0.126 4.683 4.556 0.002 0.000 0.373 378 H C 0.146 175.323 175.328 -0.252 0.000 1.226 378 H CA -0.449 55.435 56.048 -0.273 0.000 1.435 378 H CB 0.717 30.367 29.762 -0.186 0.000 1.461 378 H HN 0.475 nan 8.280 nan 0.000 0.616 379 M N 0.853 120.395 119.600 -0.098 0.000 2.471 379 M HA 0.045 4.526 4.480 0.002 0.000 0.309 379 M C 1.583 177.836 176.300 -0.078 0.000 1.186 379 M CA -0.123 55.105 55.300 -0.119 0.000 1.008 379 M CB 1.177 33.690 32.600 -0.146 0.000 1.551 379 M HN 0.760 nan 8.290 nan 0.000 0.477 380 E N 1.817 121.978 120.200 -0.065 0.000 2.065 380 E HA -0.245 4.106 4.350 0.002 0.000 0.201 380 E C 0.871 177.449 176.600 -0.038 0.000 1.016 380 E CA 2.217 58.593 56.400 -0.040 0.000 0.818 380 E CB 0.005 29.688 29.700 -0.028 0.000 0.749 380 E HN 0.816 nan 8.360 nan 0.000 0.453 381 N N -0.957 117.717 118.700 -0.043 0.000 2.279 381 N HA -0.001 4.740 4.740 0.002 0.000 0.226 381 N C 1.182 176.652 175.510 -0.068 0.000 1.126 381 N CA -0.047 52.981 53.050 -0.036 0.000 0.846 381 N CB 0.499 38.985 38.487 -0.002 0.000 1.050 381 N HN 0.149 nan 8.380 nan 0.000 0.502 382 E N 0.523 120.655 120.200 -0.112 0.000 2.431 382 E HA 0.082 4.433 4.350 0.002 0.000 0.200 382 E C 0.366 176.840 176.600 -0.210 0.000 0.995 382 E CA -0.398 55.885 56.400 -0.195 0.000 0.915 382 E CB 0.280 29.811 29.700 -0.282 0.000 0.930 382 E HN 0.210 nan 8.360 nan 0.000 0.496 383 M N 1.650 121.190 119.600 -0.099 0.000 2.235 383 M HA -0.018 4.463 4.480 0.002 0.000 0.316 383 M C -0.038 176.178 176.300 -0.139 0.000 1.035 383 M CA 0.313 55.592 55.300 -0.036 0.000 1.084 383 M CB 0.732 33.304 32.600 -0.046 0.000 1.529 383 M HN 0.146 nan 8.290 nan 0.000 0.440 384 A N 3.029 125.718 122.820 -0.218 0.000 2.332 384 A HA 0.231 4.552 4.320 0.002 0.000 0.258 384 A C 1.064 178.273 177.584 -0.624 0.000 1.087 384 A CA -0.042 51.683 52.037 -0.520 0.000 0.802 384 A CB -0.075 18.337 19.000 -0.980 0.000 1.042 384 A HN 1.043 nan 8.150 nan 0.000 0.489 385 H N -0.064 118.609 119.070 -0.660 0.000 2.518 385 H HA -0.182 4.375 4.556 0.002 0.000 0.289 385 H C 0.744 175.617 175.328 -0.759 0.000 1.051 385 H CA 2.224 57.962 56.048 -0.517 0.000 1.280 385 H CB -0.394 29.151 29.762 -0.361 0.000 1.380 385 H HN 0.879 nan 8.280 nan 0.000 0.566 386 Y N -0.247 119.376 120.300 -1.127 0.000 2.467 386 Y HA 0.741 5.292 4.550 0.002 0.000 0.250 386 Y C 0.885 176.445 175.900 -0.567 0.000 1.155 386 Y CA -1.170 56.188 58.100 -1.237 0.000 1.249 386 Y CB -0.240 37.648 38.460 -0.953 0.000 1.146 386 Y HN 0.347 nan 8.280 nan 0.000 0.524 387 A N 0.227 122.873 122.820 -0.291 0.000 2.322 387 A HA 0.632 4.953 4.320 0.002 0.000 0.327 387 A C 0.668 178.220 177.584 -0.053 0.000 1.134 387 A CA -0.080 51.928 52.037 -0.049 0.000 0.831 387 A CB 0.603 19.602 19.000 -0.002 0.000 1.288 387 A HN 0.762 nan 8.150 nan 0.000 0.472 388 C N -1.719 117.586 119.300 0.009 0.000 3.724 388 C HA 0.638 5.100 4.460 0.002 0.000 0.327 388 C C -0.120 174.887 174.990 0.027 0.000 1.490 388 C CA 0.292 59.322 59.018 0.018 0.000 1.825 388 C CB -1.023 26.741 27.740 0.040 0.000 2.613 388 C HN 0.903 nan 8.230 nan 0.000 0.692 389 D N -0.929 119.491 120.400 0.033 0.000 2.722 389 D HA 0.509 5.150 4.640 0.002 0.000 0.231 389 D C -1.547 174.766 176.300 0.021 0.000 1.218 389 D CA 0.168 54.191 54.000 0.038 0.000 0.753 389 D CB 1.315 42.171 40.800 0.093 0.000 1.471 389 D HN 0.506 nan 8.370 nan 0.000 0.455 390 C N 3.128 122.382 119.300 -0.077 0.000 3.284 390 C HA 0.831 5.292 4.460 0.002 0.000 0.338 390 C C -2.002 172.812 174.990 -0.293 0.000 1.237 390 C CA -0.584 58.331 59.018 -0.173 0.000 1.276 390 C CB 0.491 27.940 27.740 -0.484 0.000 1.601 390 C HN 0.633 nan 8.230 nan 0.000 0.494 391 W N 3.093 124.281 121.300 -0.186 0.000 2.781 391 W HA 0.501 5.162 4.660 0.002 0.000 0.333 391 W C -0.978 175.540 176.519 -0.001 0.000 1.047 391 W CA 0.008 57.333 57.345 -0.034 0.000 1.236 391 W CB 1.471 30.997 29.460 0.110 0.000 1.394 391 W HN 0.569 nan 8.180 nan 0.000 0.466 392 D N 1.925 122.435 120.400 0.184 0.000 2.192 392 D HA 0.530 5.171 4.640 0.002 0.000 0.246 392 D C -0.425 175.907 176.300 0.054 0.000 1.042 392 D CA -0.453 53.616 54.000 0.115 0.000 0.847 392 D CB 1.841 42.713 40.800 0.120 0.000 1.186 392 D HN 0.346 nan 8.370 nan 0.000 0.461 393 A N 2.796 125.543 122.820 -0.122 0.000 2.343 393 A HA 0.325 4.646 4.320 0.002 0.000 0.305 393 A C 0.090 177.564 177.584 -0.183 0.000 1.308 393 A CA -0.405 51.343 52.037 -0.481 0.000 0.949 393 A CB 0.089 18.775 19.000 -0.524 0.000 1.148 393 A HN 0.450 nan 8.150 nan 0.000 0.545 394 E N 1.726 121.884 120.200 -0.071 0.000 2.179 394 E HA 0.481 4.832 4.350 0.002 0.000 0.275 394 E C -0.446 176.348 176.600 0.324 0.000 0.945 394 E CA -0.577 55.919 56.400 0.161 0.000 0.792 394 E CB 1.710 31.573 29.700 0.272 0.000 1.125 394 E HN 0.661 nan 8.360 nan 0.000 0.397 395 S N 2.523 118.356 115.700 0.222 0.000 2.454 395 S HA 0.330 4.801 4.470 0.002 0.000 0.306 395 S C -0.200 174.325 174.600 -0.125 0.000 1.100 395 S CA -1.103 57.168 58.200 0.118 0.000 1.087 395 S CB 1.572 64.775 63.200 0.005 0.000 1.019 395 S HN 0.254 nan 8.310 nan 0.000 0.480 396 K N 3.005 123.077 120.400 -0.547 0.000 2.349 396 K HA 0.288 4.609 4.320 0.002 0.000 0.289 396 K C 0.301 176.717 176.600 -0.306 0.000 1.064 396 K CA 0.227 55.940 56.287 -0.957 0.000 0.947 396 K CB 0.453 32.078 32.500 -1.458 0.000 1.007 396 K HN 1.000 nan 8.250 nan 0.000 0.478 397 T N -1.424 112.997 114.554 -0.221 0.000 2.773 397 T HA 0.177 4.528 4.350 0.002 0.000 0.278 397 T C 1.209 175.880 174.700 -0.049 0.000 1.011 397 T CA -0.343 61.733 62.100 -0.041 0.000 1.014 397 T CB 0.876 69.806 68.868 0.103 0.000 1.293 397 T HN 0.303 nan 8.240 nan 0.000 0.554 398 S N -0.904 114.790 115.700 -0.009 0.000 2.595 398 S HA -0.040 4.431 4.470 0.002 0.000 0.235 398 S C 0.493 174.921 174.600 -0.286 0.000 0.974 398 S CA 0.329 58.426 58.200 -0.172 0.000 0.942 398 S CB -0.966 62.086 63.200 -0.247 0.000 0.766 398 S HN 0.703 nan 8.310 nan 0.000 0.536 399 Y N 1.981 122.249 120.300 -0.053 0.000 2.636 399 Y HA 0.496 5.047 4.550 0.002 0.000 0.260 399 Y C 1.599 177.446 175.900 -0.087 0.000 1.177 399 Y CA -0.284 57.778 58.100 -0.064 0.000 1.209 399 Y CB 0.080 38.505 38.460 -0.058 0.000 1.166 399 Y HN 0.454 nan 8.280 nan 0.000 0.531 400 G N -0.028 108.759 108.800 -0.022 0.000 2.642 400 G HA2 -0.302 3.659 3.960 0.002 0.000 0.231 400 G HA3 -0.302 3.659 3.960 0.002 0.000 0.231 400 G C -0.737 174.083 174.900 -0.134 0.000 1.338 400 G CA -0.806 44.234 45.100 -0.099 0.000 0.883 400 G HN 0.281 nan 8.290 nan 0.000 0.570 401 W N 0.875 122.175 121.300 0.000 0.000 2.356 401 W HA 0.567 5.228 4.660 0.002 0.000 0.311 401 W C 1.072 177.584 176.519 -0.010 0.000 1.328 401 W CA 0.242 57.584 57.345 -0.006 0.000 1.251 401 W CB 0.345 29.791 29.460 -0.023 0.000 1.280 401 W HN 0.578 nan 8.180 nan 0.000 0.524 402 I N 0.568 121.247 120.570 0.182 0.000 2.647 402 I HA 0.450 4.621 4.170 0.002 0.000 0.295 402 I C -0.245 175.916 176.117 0.074 0.000 1.078 402 I CA -1.453 59.897 61.300 0.083 0.000 1.048 402 I CB 1.966 39.964 38.000 -0.004 0.000 1.239 402 I HN 0.480 nan 8.210 nan 0.000 0.421 403 E N 6.425 126.654 120.200 0.047 0.000 2.324 403 E HA 0.246 4.597 4.350 0.002 0.000 0.271 403 E C 0.083 176.669 176.600 -0.024 0.000 1.028 403 E CA -0.488 55.928 56.400 0.027 0.000 0.890 403 E CB 1.355 31.085 29.700 0.049 0.000 1.004 403 E HN 0.887 nan 8.360 nan 0.000 0.431 404 I N 0.695 121.240 120.570 -0.043 0.000 4.323 404 I HA 0.259 4.430 4.170 0.002 0.000 0.328 404 I C -0.544 175.518 176.117 -0.091 0.000 1.310 404 I CA -0.504 60.758 61.300 -0.064 0.000 1.186 404 I CB 0.912 38.880 38.000 -0.053 0.000 1.130 404 I HN 0.210 nan 8.210 nan 0.000 0.411 405 V N 1.968 121.804 119.914 -0.131 0.000 2.655 405 V HA 0.653 4.774 4.120 0.002 0.000 0.301 405 V C -0.074 175.912 176.094 -0.180 0.000 1.082 405 V CA -0.572 61.564 62.300 -0.273 0.000 0.899 405 V CB 1.501 33.067 31.823 -0.429 0.000 1.014 405 V HN 0.285 nan 8.190 nan 0.000 0.429 406 G N 1.836 110.541 108.800 -0.159 0.000 2.415 406 G HA2 0.448 4.409 3.960 0.002 0.000 0.317 406 G HA3 0.448 4.409 3.960 0.002 0.000 0.317 406 G C -0.459 174.401 174.900 -0.067 0.000 1.152 406 G CA -0.360 44.707 45.100 -0.054 0.000 0.956 406 G HN 0.807 nan 8.290 nan 0.000 0.458 407 C N 4.316 123.616 119.300 0.001 0.000 2.146 407 C HA 0.744 5.205 4.460 0.002 0.000 0.338 407 C C 1.012 176.043 174.990 0.068 0.000 1.074 407 C CA -0.412 58.625 59.018 0.032 0.000 1.527 407 C CB -1.763 26.053 27.740 0.126 0.000 1.915 407 C HN 0.862 nan 8.230 nan 0.000 0.453 408 A N 3.791 126.634 122.820 0.038 0.000 2.256 408 A HA 0.621 4.942 4.320 0.002 0.000 0.318 408 A C 0.113 177.744 177.584 0.079 0.000 1.103 408 A CA -0.202 51.871 52.037 0.060 0.000 0.860 408 A CB 0.528 19.596 19.000 0.113 0.000 1.182 408 A HN 0.762 nan 8.150 nan 0.000 0.501 409 D N 0.626 121.079 120.400 0.089 0.000 2.749 409 D HA 0.105 4.746 4.640 0.002 0.000 0.338 409 D C -0.328 176.021 176.300 0.081 0.000 1.236 409 D CA -0.398 53.655 54.000 0.089 0.000 0.845 409 D CB 0.040 40.902 40.800 0.103 0.000 1.080 409 D HN 0.560 nan 8.370 nan 0.000 0.497 410 R N 0.999 121.546 120.500 0.079 0.000 3.491 410 R HA 0.038 4.379 4.340 0.002 0.000 0.186 410 R C 1.507 177.847 176.300 0.067 0.000 1.737 410 R CA 0.196 56.344 56.100 0.079 0.000 1.218 410 R CB -0.779 29.555 30.300 0.057 0.000 1.301 410 R HN 0.085 nan 8.270 nan 0.000 0.703 411 S N 0.981 116.725 115.700 0.073 0.000 2.565 411 S HA -0.398 4.073 4.470 0.002 0.000 0.310 411 S C 1.505 176.140 174.600 0.059 0.000 1.244 411 S CA 1.639 59.880 58.200 0.069 0.000 1.170 411 S CB -0.988 62.254 63.200 0.070 0.000 1.179 411 S HN 1.062 nan 8.310 nan 0.000 0.441 412 C N -3.967 115.369 119.300 0.060 0.000 4.124 412 C HA 0.359 4.820 4.460 0.002 0.000 0.388 412 C C 0.881 175.876 174.990 0.010 0.000 3.007 412 C CA -0.522 58.506 59.018 0.016 0.000 1.607 412 C CB -1.917 25.829 27.740 0.010 0.000 2.217 412 C HN 0.478 nan 8.230 nan 0.000 0.325 413 Y N 2.841 123.091 120.300 -0.083 0.000 2.274 413 Y HA -0.025 4.527 4.550 0.002 0.000 0.290 413 Y C 1.862 177.672 175.900 -0.151 0.000 1.145 413 Y CA 2.402 60.454 58.100 -0.080 0.000 1.203 413 Y CB 0.020 38.465 38.460 -0.026 0.000 0.984 413 Y HN 0.451 nan 8.280 nan 0.000 0.533 414 D N -0.132 120.233 120.400 -0.057 0.000 2.107 414 D HA -0.149 4.492 4.640 0.002 0.000 0.204 414 D C 2.240 178.383 176.300 -0.260 0.000 0.978 414 D CA 1.089 54.914 54.000 -0.291 0.000 0.852 414 D CB -0.300 39.900 40.800 -1.002 0.000 1.008 414 D HN 0.250 nan 8.370 nan 0.000 0.458 415 L N 1.558 122.597 121.223 -0.307 0.000 2.089 415 L HA -0.165 4.176 4.340 0.002 0.000 0.213 415 L C 2.516 179.325 176.870 -0.102 0.000 1.079 415 L CA 1.321 56.055 54.840 -0.177 0.000 0.758 415 L CB -1.368 40.521 42.059 -0.284 0.000 0.891 415 L HN -0.035 nan 8.230 nan 0.000 0.433 416 S N -0.868 114.747 115.700 -0.141 0.000 2.343 416 S HA -0.174 4.297 4.470 0.002 0.000 0.219 416 S C 2.180 176.688 174.600 -0.152 0.000 1.033 416 S CA 1.420 59.542 58.200 -0.130 0.000 1.014 416 S CB -0.535 62.574 63.200 -0.151 0.000 0.915 416 S HN 0.463 nan 8.310 nan 0.000 0.435 417 C N 1.663 120.802 119.300 -0.268 0.000 2.376 417 C HA -0.140 4.321 4.460 0.002 0.000 0.275 417 C C 2.633 177.493 174.990 -0.217 0.000 1.200 417 C CA 0.722 59.552 59.018 -0.313 0.000 1.756 417 C CB -1.676 25.777 27.740 -0.478 0.000 2.050 417 C HN 0.603 nan 8.230 nan 0.000 0.460 418 H N 0.473 119.508 119.070 -0.059 0.000 2.389 418 H HA -0.028 4.529 4.556 0.002 0.000 0.299 418 H C 2.434 177.760 175.328 -0.003 0.000 1.081 418 H CA 1.718 57.762 56.048 -0.006 0.000 1.345 418 H CB -0.700 29.079 29.762 0.028 0.000 1.393 418 H HN 0.533 nan 8.280 nan 0.000 0.520 419 A N 1.588 124.461 122.820 0.088 0.000 1.883 419 A HA -0.201 4.120 4.320 0.002 0.000 0.217 419 A C 2.545 180.147 177.584 0.030 0.000 1.186 419 A CA 1.428 53.498 52.037 0.054 0.000 0.624 419 A CB -0.362 18.650 19.000 0.021 0.000 0.822 419 A HN 0.316 nan 8.150 nan 0.000 0.444 420 R N -0.739 119.759 120.500 -0.004 0.000 2.082 420 R HA -0.042 4.299 4.340 0.002 0.000 0.228 420 R C 2.559 178.860 176.300 0.003 0.000 1.140 420 R CA 1.226 57.319 56.100 -0.011 0.000 0.920 420 R CB -0.744 29.530 30.300 -0.042 0.000 0.828 420 R HN 0.467 nan 8.270 nan 0.000 0.430 421 A N 0.748 123.566 122.820 -0.003 0.000 2.009 421 A HA -0.239 4.082 4.320 0.002 0.000 0.222 421 A C 2.068 179.675 177.584 0.038 0.000 1.175 421 A CA 2.460 54.506 52.037 0.015 0.000 0.651 421 A CB -0.878 18.132 19.000 0.017 0.000 0.815 421 A HN 0.635 nan 8.150 nan 0.000 0.459 422 T N -5.568 109.018 114.554 0.054 0.000 3.044 422 T HA 0.318 4.669 4.350 0.002 0.000 0.260 422 T C 0.599 175.325 174.700 0.042 0.000 1.019 422 T CA 0.517 62.650 62.100 0.055 0.000 0.921 422 T CB -0.057 68.856 68.868 0.074 0.000 1.053 422 T HN 0.505 nan 8.240 nan 0.000 0.533 423 K N 0.308 120.729 120.400 0.035 0.000 3.130 423 K HA -0.119 4.202 4.320 0.002 0.000 0.282 423 K C -0.664 175.957 176.600 0.035 0.000 1.145 423 K CA 0.454 56.757 56.287 0.028 0.000 0.831 423 K CB -2.023 30.491 32.500 0.023 0.000 1.226 423 K HN 0.413 nan 8.250 nan 0.000 0.478 424 V N 2.134 122.076 119.914 0.046 0.000 2.333 424 V HA 0.204 4.325 4.120 0.002 0.000 0.274 424 V C -1.607 174.525 176.094 0.063 0.000 1.028 424 V CA -1.563 60.770 62.300 0.053 0.000 0.851 424 V CB 1.107 32.967 31.823 0.062 0.000 1.000 424 V HN 0.025 nan 8.190 nan 0.000 0.456 425 P HA 0.155 nan 4.420 nan 0.000 0.267 425 P C -0.816 176.547 177.300 0.105 0.000 1.205 425 P CA 0.131 63.271 63.100 0.066 0.000 0.765 425 P CB 0.861 32.595 31.700 0.056 0.000 0.828 426 L N 4.678 125.969 121.223 0.113 0.000 2.457 426 L HA 0.382 4.723 4.340 0.002 0.000 0.252 426 L C 0.354 177.329 176.870 0.174 0.000 1.132 426 L CA -0.685 54.275 54.840 0.199 0.000 0.938 426 L CB 1.270 43.400 42.059 0.119 0.000 1.246 426 L HN 0.232 nan 8.230 nan 0.000 0.476 427 V N -1.349 118.726 119.914 0.268 0.000 3.182 427 V HA 1.032 5.153 4.120 0.002 0.000 0.308 427 V C -0.507 175.756 176.094 0.281 0.000 1.240 427 V CA -0.547 61.895 62.300 0.237 0.000 1.063 427 V CB 1.874 33.769 31.823 0.120 0.000 1.076 427 V HN 0.401 nan 8.190 nan 0.000 0.446 428 A N 0.260 123.218 122.820 0.229 0.000 2.443 428 A HA 1.000 5.321 4.320 0.002 0.000 0.278 428 A C -0.672 176.982 177.584 0.116 0.000 1.252 428 A CA -0.762 51.380 52.037 0.174 0.000 0.816 428 A CB 1.733 20.871 19.000 0.229 0.000 1.369 428 A HN 0.990 nan 8.150 nan 0.000 0.446 429 E N -0.406 119.847 120.200 0.089 0.000 2.383 429 E HA 0.500 4.851 4.350 0.002 0.000 0.275 429 E C -1.414 175.226 176.600 0.067 0.000 0.918 429 E CA -0.795 55.647 56.400 0.071 0.000 0.764 429 E CB 2.620 32.352 29.700 0.054 0.000 1.252 429 E HN 0.663 nan 8.360 nan 0.000 0.449 430 K N 0.098 120.537 120.400 0.065 0.000 2.466 430 K HA 0.634 4.955 4.320 0.002 0.000 0.260 430 K C -2.918 173.719 176.600 0.062 0.000 1.011 430 K CA -1.862 54.462 56.287 0.061 0.000 0.871 430 K CB 1.965 34.504 32.500 0.064 0.000 1.404 430 K HN 0.143 nan 8.250 nan 0.000 0.450 513 V N 0.849 120.887 119.914 0.208 0.000 2.612 513 V HA 0.681 4.803 4.120 0.002 0.000 0.301 513 V C -0.421 175.722 176.094 0.083 0.000 1.046 513 V CA -0.576 61.795 62.300 0.118 0.000 0.946 513 V CB 1.844 33.718 31.823 0.086 0.000 1.003 513 V HN 0.365 nan 8.190 nan 0.000 0.459 514 E N 2.374 122.614 120.200 0.067 0.000 2.256 514 E HA 0.459 4.810 4.350 0.002 0.000 0.267 514 E C -0.740 175.894 176.600 0.058 0.000 0.892 514 E CA -0.708 55.726 56.400 0.056 0.000 0.775 514 E CB 2.234 31.962 29.700 0.047 0.000 1.207 514 E HN 1.009 nan 8.360 nan 0.000 0.420 515 E N 2.029 122.261 120.200 0.055 0.000 2.242 515 E HA 0.516 4.867 4.350 0.002 0.000 0.275 515 E C -0.688 175.950 176.600 0.063 0.000 1.002 515 E CA -0.893 55.544 56.400 0.062 0.000 0.841 515 E CB 1.762 31.497 29.700 0.058 0.000 1.109 515 E HN 0.272 nan 8.360 nan 0.000 0.394 516 V N -0.636 119.324 119.914 0.078 0.000 3.114 516 V HA 0.530 4.651 4.120 0.002 0.000 0.308 516 V C -0.774 175.367 176.094 0.079 0.000 1.168 516 V CA -1.144 61.200 62.300 0.073 0.000 1.015 516 V CB 1.734 33.605 31.823 0.079 0.000 1.050 516 V HN 0.570 nan 8.190 nan 0.000 0.433 517 V N 3.090 123.036 119.914 0.053 0.000 2.334 517 V HA 0.396 4.517 4.120 0.002 0.000 0.267 517 V C -2.216 173.902 176.094 0.040 0.000 1.040 517 V CA -1.603 60.711 62.300 0.024 0.000 0.866 517 V CB 0.839 32.660 31.823 -0.004 0.000 1.019 517 V HN 0.890 nan 8.190 nan 0.000 0.468 518 P HA 0.059 nan 4.420 nan 0.000 0.261 518 P C -0.491 176.885 177.300 0.127 0.000 1.183 518 P CA 0.197 63.376 63.100 0.132 0.000 0.761 518 P CB 0.297 32.117 31.700 0.201 0.000 0.785 519 N N 1.542 120.321 118.700 0.132 0.000 2.499 519 N HA 0.388 5.129 4.740 0.002 0.000 0.281 519 N C -0.926 174.652 175.510 0.114 0.000 1.098 519 N CA -0.404 52.708 53.050 0.103 0.000 0.979 519 N CB 0.868 39.412 38.487 0.094 0.000 1.121 519 N HN 0.106 nan 8.380 nan 0.000 0.466 520 V N 3.168 123.115 119.914 0.055 0.000 2.540 520 V HA 0.544 4.665 4.120 0.002 0.000 0.302 520 V C -1.091 175.016 176.094 0.021 0.000 1.035 520 V CA -0.728 61.556 62.300 -0.026 0.000 0.873 520 V CB 1.144 32.847 31.823 -0.201 0.000 0.992 520 V HN 0.462 nan 8.190 nan 0.000 0.428 521 I N 5.929 126.539 120.570 0.065 0.000 2.321 521 I HA 0.455 4.626 4.170 0.002 0.000 0.291 521 I C 0.208 176.315 176.117 -0.017 0.000 0.998 521 I CA 0.237 61.587 61.300 0.084 0.000 1.227 521 I CB 1.498 39.620 38.000 0.203 0.000 1.368 521 I HN 0.666 nan 8.210 nan 0.000 0.466 522 E N 8.422 128.596 120.200 -0.044 0.000 2.121 522 E HA 0.383 4.734 4.350 0.002 0.000 0.255 522 E C -2.553 173.976 176.600 -0.118 0.000 0.906 522 E CA -1.913 54.427 56.400 -0.101 0.000 0.745 522 E CB 1.177 30.830 29.700 -0.079 0.000 1.155 522 E HN 0.227 nan 8.360 nan 0.000 0.424 523 P HA 0.065 nan 4.420 nan 0.000 0.281 523 P C -1.072 176.175 177.300 -0.090 0.000 1.286 523 P CA -0.085 62.904 63.100 -0.186 0.000 0.772 523 P CB 1.101 32.676 31.700 -0.207 0.000 0.862 524 S N 4.087 119.671 115.700 -0.194 0.000 2.474 524 S HA 0.574 5.045 4.470 0.002 0.000 0.321 524 S C -0.990 173.473 174.600 -0.227 0.000 1.080 524 S CA -0.564 57.578 58.200 -0.095 0.000 1.106 524 S CB -0.384 62.793 63.200 -0.039 0.000 0.984 524 S HN 0.060 nan 8.310 nan 0.000 0.464 525 F N 2.765 122.616 119.950 -0.165 0.000 2.415 525 F HA 0.504 5.032 4.527 0.002 0.000 0.348 525 F C 1.120 176.824 175.800 -0.159 0.000 1.119 525 F CA -0.963 56.926 58.000 -0.185 0.000 1.069 525 F CB 1.484 40.261 39.000 -0.372 0.000 1.124 525 F HN 0.639 nan 8.300 nan 0.000 0.472 526 G N 4.510 113.339 108.800 0.048 0.000 2.857 526 G HA2 0.369 4.330 3.960 0.002 0.000 0.326 526 G HA3 0.369 4.330 3.960 0.002 0.000 0.326 526 G C 0.826 175.724 174.900 -0.003 0.000 0.950 526 G CA -0.391 44.735 45.100 0.043 0.000 1.400 526 G HN 0.804 nan 8.290 nan 0.000 0.473 527 L N 1.943 123.146 121.223 -0.033 0.000 2.263 527 L HA -0.124 4.217 4.340 0.002 0.000 0.216 527 L C 2.789 179.597 176.870 -0.104 0.000 1.111 527 L CA 1.237 56.023 54.840 -0.090 0.000 0.773 527 L CB -0.155 41.801 42.059 -0.173 0.000 0.906 527 L HN 0.551 nan 8.230 nan 0.000 0.439 528 G N -0.081 108.676 108.800 -0.071 0.000 2.404 528 G HA2 -0.164 3.797 3.960 0.002 0.000 0.214 528 G HA3 -0.164 3.797 3.960 0.002 0.000 0.214 528 G C 1.748 176.576 174.900 -0.120 0.000 1.189 528 G CA 0.133 45.183 45.100 -0.084 0.000 0.789 528 G HN 0.267 nan 8.290 nan 0.000 0.533 529 R N -0.103 120.313 120.500 -0.141 0.000 2.115 529 R HA 0.125 4.466 4.340 0.002 0.000 0.230 529 R C 2.526 178.763 176.300 -0.104 0.000 1.111 529 R CA 0.707 56.730 56.100 -0.127 0.000 0.976 529 R CB -0.334 29.876 30.300 -0.151 0.000 0.870 529 R HN 0.373 nan 8.270 nan 0.000 0.445 530 I N 0.663 121.170 120.570 -0.105 0.000 2.252 530 I HA -0.284 3.887 4.170 0.002 0.000 0.245 530 I C 2.680 178.651 176.117 -0.243 0.000 1.102 530 I CA 1.213 62.444 61.300 -0.116 0.000 1.385 530 I CB -0.185 37.811 38.000 -0.007 0.000 1.064 530 I HN 0.215 nan 8.210 nan 0.000 0.414 531 M N -0.210 119.214 119.600 -0.293 0.000 2.132 531 M HA -0.275 4.206 4.480 0.002 0.000 0.263 531 M C 2.506 178.316 176.300 -0.816 0.000 1.065 531 M CA 1.940 56.912 55.300 -0.547 0.000 1.122 531 M CB -0.256 32.062 32.600 -0.470 0.000 1.365 531 M HN 0.215 nan 8.290 nan 0.000 0.411 532 Y N 0.942 120.908 120.300 -0.557 0.000 2.181 532 Y HA -0.202 4.349 4.550 0.002 0.000 0.288 532 Y C 2.141 177.877 175.900 -0.272 0.000 1.146 532 Y CA 2.320 60.221 58.100 -0.332 0.000 1.164 532 Y CB -0.768 37.583 38.460 -0.182 0.000 0.982 532 Y HN 0.241 nan 8.280 nan 0.000 0.515 533 T N -0.433 113.912 114.554 -0.348 0.000 2.759 533 T HA -0.177 4.174 4.350 0.002 0.000 0.269 533 T C 2.069 176.422 174.700 -0.578 0.000 1.042 533 T CA 1.578 63.368 62.100 -0.518 0.000 1.140 533 T CB -0.720 67.892 68.868 -0.425 0.000 0.864 533 T HN 0.211 nan 8.240 nan 0.000 0.455 534 V N 0.922 120.564 119.914 -0.454 0.000 2.407 534 V HA -0.126 3.996 4.120 0.002 0.000 0.248 534 V C 2.149 178.212 176.094 -0.051 0.000 1.055 534 V CA 1.447 63.575 62.300 -0.287 0.000 1.049 534 V CB -0.817 30.756 31.823 -0.417 0.000 0.662 534 V HN 0.344 nan 8.190 nan 0.000 0.455 535 F N 0.906 120.776 119.950 -0.135 0.000 2.046 535 F HA -0.150 4.378 4.527 0.002 0.000 0.297 535 F C 2.542 178.358 175.800 0.027 0.000 1.123 535 F CA 1.532 59.554 58.000 0.036 0.000 1.199 535 F CB -1.041 37.828 39.000 -0.218 0.000 0.972 535 F HN 0.220 nan 8.300 nan 0.000 0.474 536 E N -1.202 118.945 120.200 -0.088 0.000 2.150 536 E HA -0.185 4.166 4.350 0.002 0.000 0.193 536 E C 1.709 178.345 176.600 0.060 0.000 0.985 536 E CA 1.112 57.454 56.400 -0.097 0.000 0.814 536 E CB -0.373 29.194 29.700 -0.221 0.000 0.752 536 E HN 0.630 nan 8.360 nan 0.000 0.466 537 H N -0.863 118.151 119.070 -0.093 0.000 2.539 537 H HA 0.040 4.597 4.556 0.002 0.000 0.267 537 H C 1.409 176.674 175.328 -0.105 0.000 0.982 537 H CA 1.038 57.030 56.048 -0.093 0.000 1.146 537 H CB 0.484 30.200 29.762 -0.076 0.000 1.382 537 H HN 0.164 nan 8.280 nan 0.000 0.577 538 T N -2.928 111.629 114.554 0.004 0.000 3.087 538 T HA 0.036 4.387 4.350 0.002 0.000 0.283 538 T C 0.049 174.355 174.700 -0.656 0.000 0.956 538 T CA -0.506 61.496 62.100 -0.164 0.000 0.894 538 T CB -0.473 68.490 68.868 0.158 0.000 1.160 538 T HN 0.072 nan 8.240 nan 0.000 0.532 539 F N 4.140 123.635 119.950 -0.758 0.000 2.495 539 F HA 0.479 5.007 4.527 0.002 0.000 0.365 539 F C 0.032 175.086 175.800 -1.244 0.000 1.090 539 F CA -0.072 57.234 58.000 -1.157 0.000 1.235 539 F CB 0.350 38.861 39.000 -0.816 0.000 1.119 539 F HN 0.193 nan 8.300 nan 0.000 0.562 540 H N 3.937 121.985 119.070 -1.703 0.000 2.980 540 H HA 0.498 5.055 4.556 0.002 0.000 0.367 540 H C -1.225 173.429 175.328 -1.124 0.000 1.206 540 H CA -0.861 54.431 56.048 -1.259 0.000 1.126 540 H CB 1.862 30.862 29.762 -1.269 0.000 1.838 540 H HN 0.364 nan 8.280 nan 0.000 0.552 541 V N 3.293 122.981 119.914 -0.377 0.000 2.378 541 V HA 0.256 4.377 4.120 0.002 0.000 0.288 541 V C 0.527 176.633 176.094 0.019 0.000 1.016 541 V CA -0.948 61.242 62.300 -0.183 0.000 0.840 541 V CB 1.091 32.847 31.823 -0.112 0.000 0.994 541 V HN 0.545 nan 8.190 nan 0.000 0.431 542 R N 2.800 123.352 120.500 0.087 0.000 2.697 542 R HA 0.012 4.353 4.340 0.002 0.000 0.265 542 R C 1.020 177.318 176.300 -0.003 0.000 1.009 542 R CA -0.086 56.037 56.100 0.038 0.000 1.099 542 R CB 0.940 31.216 30.300 -0.040 0.000 0.965 542 R HN 0.773 nan 8.270 nan 0.000 0.428 543 E N 0.924 121.112 120.200 -0.021 0.000 2.516 543 E HA -0.027 4.325 4.350 0.002 0.000 0.199 543 E C 0.577 177.164 176.600 -0.022 0.000 1.069 543 E CA 0.085 56.472 56.400 -0.022 0.000 0.876 543 E CB 0.108 29.791 29.700 -0.028 0.000 0.843 543 E HN 0.687 nan 8.360 nan 0.000 0.530 544 G N 0.397 109.182 108.800 -0.026 0.000 2.442 544 G HA2 -0.057 3.905 3.960 0.002 0.000 0.249 544 G HA3 -0.057 3.905 3.960 0.002 0.000 0.249 544 G C -0.158 174.736 174.900 -0.011 0.000 1.263 544 G CA -0.450 44.637 45.100 -0.021 0.000 0.846 544 G HN 0.067 nan 8.290 nan 0.000 0.555 545 D N 0.091 120.486 120.400 -0.008 0.000 2.311 545 D HA -0.121 4.521 4.640 0.002 0.000 0.212 545 D C 1.899 178.199 176.300 0.001 0.000 0.972 545 D CA 0.983 54.981 54.000 -0.003 0.000 0.887 545 D CB 0.284 41.082 40.800 -0.003 0.000 0.915 545 D HN 0.715 nan 8.370 nan 0.000 0.497 546 E N 0.431 120.631 120.200 0.001 0.000 2.516 546 E HA -0.135 4.216 4.350 0.002 0.000 0.199 546 E C -0.031 176.576 176.600 0.011 0.000 1.069 546 E CA 0.161 56.565 56.400 0.006 0.000 0.876 546 E CB 0.064 29.768 29.700 0.007 0.000 0.843 546 E HN 0.024 nan 8.360 nan 0.000 0.530 547 Q N 0.207 120.012 119.800 0.008 0.000 2.463 547 Q HA -0.221 4.120 4.340 0.002 0.000 0.299 547 Q C -0.847 175.164 176.000 0.018 0.000 1.353 547 Q CA 0.921 56.732 55.803 0.013 0.000 0.828 547 Q CB -1.728 27.022 28.738 0.021 0.000 1.157 547 Q HN 0.418 nan 8.270 nan 0.000 0.436 548 R N 0.325 120.833 120.500 0.012 0.000 2.539 548 R HA 0.473 4.814 4.340 0.002 0.000 0.275 548 R C 0.915 177.224 176.300 0.015 0.000 1.077 548 R CA 0.557 56.670 56.100 0.021 0.000 1.097 548 R CB 0.703 31.010 30.300 0.011 0.000 1.018 548 R HN 0.327 nan 8.270 nan 0.000 0.483 549 T N -0.835 113.728 114.554 0.014 0.000 2.930 549 T HA 0.770 5.121 4.350 0.002 0.000 0.290 549 T C -0.654 174.054 174.700 0.013 0.000 1.052 549 T CA -0.875 61.148 62.100 -0.127 0.000 1.017 549 T CB 1.384 70.101 68.868 -0.251 0.000 1.137 549 T HN 0.529 nan 8.240 nan 0.000 0.511 550 F N -1.372 118.264 119.950 -0.524 0.000 2.719 550 F HA 0.785 5.313 4.527 0.002 0.000 0.309 550 F C -2.530 172.906 175.800 -0.605 0.000 1.138 550 F CA -2.491 55.292 58.000 -0.361 0.000 0.943 550 F CB 0.721 39.591 39.000 -0.216 0.000 1.304 550 F HN 0.558 nan 8.300 nan 0.000 0.445 551 F N 1.318 120.995 119.950 -0.455 0.000 2.458 551 F HA 0.510 5.038 4.527 0.002 0.000 0.336 551 F C 0.592 176.040 175.800 -0.587 0.000 1.114 551 F CA -0.873 56.644 58.000 -0.805 0.000 0.987 551 F CB 2.324 40.398 39.000 -1.544 0.000 1.130 551 F HN 0.638 nan 8.300 nan 0.000 0.458 552 S N 3.254 118.817 115.700 -0.229 0.000 3.983 552 S HA 0.338 4.809 4.470 0.002 0.000 0.194 552 S C -0.283 174.388 174.600 0.117 0.000 1.464 552 S CA -0.548 57.662 58.200 0.017 0.000 1.021 552 S CB -1.313 61.958 63.200 0.117 0.000 1.424 552 S HN 0.442 nan 8.310 nan 0.000 0.473 553 F N 2.076 122.074 119.950 0.079 0.000 2.538 553 F HA 0.236 4.764 4.527 0.002 0.000 0.371 553 F C -1.707 174.078 175.800 -0.024 0.000 1.087 553 F CA -2.424 55.588 58.000 0.020 0.000 1.250 553 F CB 0.164 39.174 39.000 0.016 0.000 1.110 553 F HN 0.211 nan 8.300 nan 0.000 0.570 554 P HA -0.066 nan 4.420 nan 0.000 0.269 554 P C 0.036 177.369 177.300 0.056 0.000 1.217 554 P CA 0.182 63.322 63.100 0.068 0.000 0.783 554 P CB 0.679 32.393 31.700 0.022 0.000 0.898 555 A N 1.887 124.736 122.820 0.048 0.000 2.070 555 A HA -0.124 4.197 4.320 0.002 0.000 0.220 555 A C 1.585 179.216 177.584 0.078 0.000 1.159 555 A CA 1.939 54.017 52.037 0.068 0.000 0.656 555 A CB -1.422 17.661 19.000 0.138 0.000 0.800 555 A HN 0.508 nan 8.150 nan 0.000 0.453 556 V N -2.349 117.597 119.914 0.054 0.000 3.623 556 V HA 0.124 4.245 4.120 0.002 0.000 0.271 556 V C 1.489 177.589 176.094 0.009 0.000 1.248 556 V CA 1.124 63.451 62.300 0.045 0.000 1.156 556 V CB -0.558 31.290 31.823 0.041 0.000 0.870 556 V HN 0.620 nan 8.190 nan 0.000 0.453 557 V N -3.191 116.708 119.914 -0.024 0.000 3.480 557 V HA 0.675 4.796 4.120 0.002 0.000 0.263 557 V C 1.323 177.351 176.094 -0.110 0.000 1.442 557 V CA 0.141 62.377 62.300 -0.107 0.000 1.053 557 V CB -0.423 31.260 31.823 -0.234 0.000 0.846 557 V HN 0.491 nan 8.190 nan 0.000 0.440 558 A N 2.058 124.880 122.820 0.004 0.000 2.561 558 A HA 0.379 4.700 4.320 0.002 0.000 0.234 558 A C -0.628 176.989 177.584 0.055 0.000 1.055 558 A CA 0.131 52.233 52.037 0.108 0.000 0.756 558 A CB -0.431 18.641 19.000 0.120 0.000 0.986 558 A HN 0.392 nan 8.150 nan 0.000 0.505 559 P HA -0.153 nan 4.420 nan 0.000 0.218 559 P C 0.008 177.412 177.300 0.173 0.000 1.165 559 P CA 2.060 65.203 63.100 0.072 0.000 0.922 559 P CB -0.101 31.595 31.700 -0.008 0.000 0.794 560 F N -5.502 114.526 119.950 0.130 0.000 2.588 560 F HA 0.499 5.027 4.527 0.002 0.000 0.318 560 F C 0.768 176.658 175.800 0.149 0.000 1.155 560 F CA -1.406 56.670 58.000 0.126 0.000 0.967 560 F CB 0.727 39.792 39.000 0.109 0.000 1.236 560 F HN -0.397 nan 8.300 nan 0.000 0.455 561 K N 1.024 121.618 120.400 0.322 0.000 2.015 561 K HA -0.126 4.195 4.320 0.002 0.000 0.216 561 K C 0.447 177.258 176.600 0.351 0.000 1.052 561 K CA 1.998 58.450 56.287 0.275 0.000 0.937 561 K CB -0.241 32.436 32.500 0.295 0.000 0.719 561 K HN 0.650 nan 8.250 nan 0.000 0.446 562 C N 0.130 119.704 119.300 0.457 0.000 2.529 562 C HA 0.503 4.964 4.460 0.002 0.000 0.329 562 C C -0.418 174.892 174.990 0.534 0.000 1.194 562 C CA -0.625 58.660 59.018 0.446 0.000 1.779 562 C CB 1.712 29.649 27.740 0.329 0.000 2.322 562 C HN 0.360 nan 8.230 nan 0.000 0.500 563 S N 3.130 119.102 115.700 0.452 0.000 2.707 563 S HA 0.580 5.051 4.470 0.002 0.000 0.312 563 S C -1.103 173.666 174.600 0.282 0.000 1.116 563 S CA -0.406 58.049 58.200 0.424 0.000 1.078 563 S CB 0.715 64.210 63.200 0.492 0.000 0.997 563 S HN 0.668 nan 8.310 nan 0.000 0.477 564 V N 6.795 126.828 119.914 0.199 0.000 2.368 564 V HA 0.438 4.559 4.120 0.002 0.000 0.266 564 V C -0.281 175.852 176.094 0.065 0.000 1.045 564 V CA -0.590 61.793 62.300 0.139 0.000 0.899 564 V CB 0.298 32.203 31.823 0.136 0.000 1.006 564 V HN 0.757 nan 8.190 nan 0.000 0.470 565 L N 6.332 127.570 121.223 0.024 0.000 2.372 565 L HA 0.869 5.210 4.340 0.002 0.000 0.273 565 L C -2.768 174.066 176.870 -0.060 0.000 0.989 565 L CA -1.653 53.145 54.840 -0.069 0.000 0.841 565 L CB 2.029 43.952 42.059 -0.227 0.000 1.225 565 L HN 0.332 nan 8.230 nan 0.000 0.414 566 P HA 0.371 nan 4.420 nan 0.000 0.287 566 P C -0.020 177.121 177.300 -0.264 0.000 1.279 566 P CA -0.643 62.384 63.100 -0.121 0.000 0.867 566 P CB 2.552 34.199 31.700 -0.089 0.000 1.127 567 L N 0.360 121.337 121.223 -0.410 0.000 2.007 567 L HA 0.068 4.409 4.340 0.002 0.000 0.205 567 L C 1.562 178.093 176.870 -0.564 0.000 1.073 567 L CA 1.927 56.524 54.840 -0.405 0.000 0.744 567 L CB -1.082 40.778 42.059 -0.331 0.000 0.898 567 L HN 0.409 nan 8.230 nan 0.000 0.435 568 S N -1.294 113.710 115.700 -1.160 0.000 2.475 568 S HA 0.269 4.740 4.470 0.002 0.000 0.298 568 S C 0.282 174.441 174.600 -0.735 0.000 1.119 568 S CA -0.535 57.127 58.200 -0.895 0.000 1.085 568 S CB 1.355 63.998 63.200 -0.929 0.000 1.028 568 S HN 0.213 nan 8.310 nan 0.000 0.489 569 Q N 3.511 123.115 119.800 -0.327 0.000 2.222 569 Q HA 0.207 4.548 4.340 0.002 0.000 0.206 569 Q C 0.753 176.716 176.000 -0.062 0.000 0.877 569 Q CA -0.017 55.689 55.803 -0.163 0.000 0.958 569 Q CB -0.236 28.439 28.738 -0.106 0.000 1.075 569 Q HN 0.892 nan 8.270 nan 0.000 0.483 570 N N -1.306 117.363 118.700 -0.051 0.000 2.267 570 N HA -0.100 4.641 4.740 0.002 0.000 0.269 570 N C 0.384 175.956 175.510 0.104 0.000 1.287 570 N CA -0.241 52.834 53.050 0.043 0.000 0.916 570 N CB 0.196 38.730 38.487 0.077 0.000 1.052 570 N HN 0.086 nan 8.380 nan 0.000 0.496 571 Q N -0.875 118.993 119.800 0.113 0.000 2.320 571 Q HA 0.072 4.413 4.340 0.002 0.000 0.201 571 Q C 0.561 176.650 176.000 0.148 0.000 0.910 571 Q CA 0.131 56.001 55.803 0.112 0.000 0.946 571 Q CB 0.447 29.230 28.738 0.075 0.000 1.062 571 Q HN 0.541 nan 8.270 nan 0.000 0.503 572 E N -0.290 120.042 120.200 0.220 0.000 2.216 572 E HA -0.012 4.339 4.350 0.002 0.000 0.192 572 E C 1.026 177.697 176.600 0.118 0.000 0.973 572 E CA 0.796 57.302 56.400 0.177 0.000 0.851 572 E CB 0.208 30.025 29.700 0.196 0.000 0.804 572 E HN 0.319 nan 8.360 nan 0.000 0.477 573 F N 0.068 120.023 119.950 0.008 0.000 2.582 573 F HA 0.104 4.632 4.527 0.002 0.000 0.290 573 F C 2.150 178.037 175.800 0.144 0.000 1.115 573 F CA 0.190 58.193 58.000 0.004 0.000 1.445 573 F CB -0.280 38.638 39.000 -0.137 0.000 1.126 573 F HN -0.099 nan 8.300 nan 0.000 0.574 574 M N 0.523 120.286 119.600 0.272 0.000 2.089 574 M HA -0.165 4.316 4.480 0.002 0.000 0.257 574 M C -0.520 175.860 176.300 0.134 0.000 1.071 574 M CA 1.922 57.320 55.300 0.164 0.000 1.096 574 M CB -2.445 30.217 32.600 0.103 0.000 1.330 574 M HN -0.053 nan 8.290 nan 0.000 0.403 575 P HA -0.135 nan 4.420 nan 0.000 0.219 575 P C 1.276 178.471 177.300 -0.175 0.000 1.146 575 P CA 1.290 64.349 63.100 -0.068 0.000 0.808 575 P CB -0.143 31.460 31.700 -0.161 0.000 0.779 576 F N -1.809 118.099 119.950 -0.071 0.000 2.274 576 F HA -0.040 4.488 4.527 0.002 0.000 0.288 576 F C 2.337 178.126 175.800 -0.018 0.000 1.069 576 F CA 0.629 58.585 58.000 -0.073 0.000 1.343 576 F CB -1.522 37.409 39.000 -0.115 0.000 1.089 576 F HN -0.352 nan 8.300 nan 0.000 0.517 577 V N 0.948 121.003 119.914 0.235 0.000 2.332 577 V HA -0.342 3.779 4.120 0.002 0.000 0.248 577 V C 2.486 178.639 176.094 0.098 0.000 1.055 577 V CA 2.201 64.590 62.300 0.148 0.000 1.038 577 V CB -0.739 31.164 31.823 0.133 0.000 0.651 577 V HN 0.306 nan 8.190 nan 0.000 0.450 578 K N 0.296 120.740 120.400 0.074 0.000 1.991 578 K HA -0.292 4.029 4.320 0.002 0.000 0.212 578 K C 2.242 178.856 176.600 0.023 0.000 1.049 578 K CA 2.227 58.539 56.287 0.041 0.000 0.932 578 K CB -0.206 32.303 32.500 0.016 0.000 0.717 578 K HN 0.417 nan 8.250 nan 0.000 0.441 579 E N 0.968 121.162 120.200 -0.010 0.000 2.077 579 E HA -0.199 4.152 4.350 0.002 0.000 0.193 579 E C 1.958 178.555 176.600 -0.006 0.000 0.989 579 E CA 1.197 57.579 56.400 -0.029 0.000 0.800 579 E CB -0.399 29.252 29.700 -0.082 0.000 0.746 579 E HN 0.331 nan 8.360 nan 0.000 0.452 580 L N 0.221 121.453 121.223 0.016 0.000 2.017 580 L HA -0.117 4.224 4.340 0.002 0.000 0.208 580 L C 2.434 179.278 176.870 -0.043 0.000 1.073 580 L CA 2.365 57.209 54.840 0.008 0.000 0.745 580 L CB -1.235 40.848 42.059 0.040 0.000 0.894 580 L HN 0.219 nan 8.230 nan 0.000 0.432 581 S N -0.913 114.793 115.700 0.011 0.000 2.383 581 S HA -0.217 4.254 4.470 0.002 0.000 0.229 581 S C 1.858 176.511 174.600 0.088 0.000 1.030 581 S CA 1.704 59.958 58.200 0.090 0.000 1.002 581 S CB -0.300 63.056 63.200 0.260 0.000 0.829 581 S HN 0.679 nan 8.310 nan 0.000 0.467 582 E N 0.446 120.677 120.200 0.051 0.000 2.158 582 E HA 0.091 4.442 4.350 0.002 0.000 0.191 582 E C 2.370 178.959 176.600 -0.018 0.000 0.982 582 E CA 0.733 57.152 56.400 0.032 0.000 0.823 582 E CB -0.246 29.461 29.700 0.011 0.000 0.766 582 E HN 0.616 nan 8.360 nan 0.000 0.468 583 A N 1.241 124.041 122.820 -0.034 0.000 1.930 583 A HA -0.124 4.197 4.320 0.002 0.000 0.217 583 A C 2.153 179.725 177.584 -0.019 0.000 1.175 583 A CA 0.899 52.907 52.037 -0.048 0.000 0.627 583 A CB -0.490 18.517 19.000 0.011 0.000 0.815 583 A HN 0.114 nan 8.150 nan 0.000 0.443 584 L N -0.916 120.281 121.223 -0.044 0.000 2.056 584 L HA -0.143 4.199 4.340 0.002 0.000 0.207 584 L C 2.786 179.677 176.870 0.036 0.000 1.078 584 L CA 1.724 56.535 54.840 -0.048 0.000 0.749 584 L CB -0.974 40.825 42.059 -0.433 0.000 0.901 584 L HN 0.318 nan 8.230 nan 0.000 0.433 585 T N -0.505 114.086 114.554 0.061 0.000 2.720 585 T HA -0.195 4.157 4.350 0.002 0.000 0.268 585 T C 1.956 176.678 174.700 0.038 0.000 1.037 585 T CA 1.238 63.413 62.100 0.125 0.000 1.144 585 T CB -0.215 68.737 68.868 0.139 0.000 0.864 585 T HN 0.286 nan 8.240 nan 0.000 0.444 586 R N 0.164 120.628 120.500 -0.059 0.000 2.193 586 R HA -0.042 4.299 4.340 0.002 0.000 0.229 586 R C 1.704 177.897 176.300 -0.179 0.000 1.110 586 R CA 0.861 56.871 56.100 -0.150 0.000 0.988 586 R CB -0.175 29.970 30.300 -0.258 0.000 0.871 586 R HN 0.515 nan 8.270 nan 0.000 0.458 587 H N -0.865 118.222 119.070 0.029 0.000 2.551 587 H HA 0.153 4.710 4.556 0.002 0.000 0.271 587 H C 1.028 176.387 175.328 0.052 0.000 0.984 587 H CA 0.670 56.738 56.048 0.032 0.000 1.164 587 H CB 0.821 30.594 29.762 0.019 0.000 1.437 587 H HN 0.382 nan 8.280 nan 0.000 0.550 588 G N 1.331 110.221 108.800 0.150 0.000 2.225 588 G HA2 -0.252 3.709 3.960 0.002 0.000 0.264 588 G HA3 -0.252 3.709 3.960 0.002 0.000 0.264 588 G C -0.095 174.903 174.900 0.162 0.000 1.060 588 G CA 0.397 45.579 45.100 0.137 0.000 0.833 588 G HN 0.216 nan 8.290 nan 0.000 0.498 589 V N 1.575 121.602 119.914 0.188 0.000 2.328 589 V HA 0.562 4.684 4.120 0.002 0.000 0.278 589 V C 0.994 177.274 176.094 0.310 0.000 1.021 589 V CA -0.247 62.181 62.300 0.213 0.000 0.838 589 V CB 1.356 33.281 31.823 0.170 0.000 0.999 589 V HN 0.924 nan 8.190 nan 0.000 0.447 590 S N 5.673 121.547 115.700 0.289 0.000 2.537 590 S HA 0.396 4.867 4.470 0.002 0.000 0.286 590 S C -0.150 174.689 174.600 0.398 0.000 1.299 590 S CA -0.338 58.039 58.200 0.296 0.000 1.067 590 S CB 0.227 63.576 63.200 0.249 0.000 0.864 590 S HN 0.990 nan 8.310 nan 0.000 0.494 591 H N 0.052 119.169 119.070 0.078 0.000 2.933 591 H HA 0.673 5.230 4.556 0.002 0.000 0.310 591 H C -1.552 173.597 175.328 -0.299 0.000 1.351 591 H CA -1.259 54.787 56.048 -0.003 0.000 1.137 591 H CB 1.049 30.853 29.762 0.070 0.000 1.853 591 H HN 0.699 nan 8.280 nan 0.000 0.539 592 K N 0.983 121.163 120.400 -0.366 0.000 2.561 592 K HA 0.331 4.652 4.320 0.002 0.000 0.254 592 K C -1.300 175.205 176.600 -0.158 0.000 0.942 592 K CA -0.839 55.177 56.287 -0.453 0.000 0.818 592 K CB 3.538 35.529 32.500 -0.848 0.000 1.306 592 K HN 0.301 nan 8.250 nan 0.000 0.435 593 V N 2.311 122.169 119.914 -0.093 0.000 2.470 593 V HA 0.020 4.141 4.120 0.002 0.000 0.276 593 V C 0.194 176.259 176.094 -0.048 0.000 1.040 593 V CA -0.185 62.100 62.300 -0.024 0.000 1.008 593 V CB 0.836 32.654 31.823 -0.008 0.000 0.990 593 V HN 0.657 nan 8.190 nan 0.000 0.477 594 D N 3.440 123.820 120.400 -0.035 0.000 2.350 594 D HA 0.162 4.803 4.640 0.002 0.000 0.249 594 D C 0.252 176.517 176.300 -0.059 0.000 1.119 594 D CA -0.075 53.898 54.000 -0.045 0.000 0.886 594 D CB 1.405 42.164 40.800 -0.068 0.000 1.195 594 D HN 0.587 nan 8.370 nan 0.000 0.437 595 D N 0.553 120.923 120.400 -0.049 0.000 2.502 595 D HA -0.014 4.627 4.640 0.002 0.000 0.232 595 D C 0.319 176.593 176.300 -0.044 0.000 1.137 595 D CA -0.002 53.968 54.000 -0.051 0.000 0.827 595 D CB 0.202 40.977 40.800 -0.042 0.000 1.141 595 D HN 0.451 nan 8.370 nan 0.000 0.517 596 S N 1.244 116.923 115.700 -0.034 0.000 2.549 596 S HA 0.115 4.586 4.470 0.002 0.000 0.278 596 S C 0.794 175.375 174.600 -0.032 0.000 1.344 596 S CA -0.439 57.747 58.200 -0.024 0.000 1.025 596 S CB 0.869 64.061 63.200 -0.012 0.000 0.851 596 S HN 0.152 nan 8.310 nan 0.000 0.530 597 S N 1.561 117.248 115.700 -0.021 0.000 2.655 597 S HA 0.796 5.268 4.470 0.002 0.000 0.265 597 S C 0.745 175.335 174.600 -0.016 0.000 1.240 597 S CA -0.199 57.989 58.200 -0.020 0.000 0.986 597 S CB 0.141 63.333 63.200 -0.012 0.000 0.985 597 S HN 2.448 nan 8.310 nan 0.000 0.562 598 G N 0.309 109.102 108.800 -0.012 0.000 2.541 598 G HA2 0.166 4.127 3.960 0.002 0.000 0.686 598 G HA3 0.166 4.127 3.960 0.002 0.000 0.686 598 G C -0.298 174.599 174.900 -0.005 0.000 1.286 598 G CA -0.472 44.625 45.100 -0.004 0.000 0.894 598 G HN 1.898 nan 8.290 nan 0.000 0.575 599 S N -0.679 115.026 115.700 0.008 0.000 2.593 599 S HA 0.470 4.941 4.470 0.002 0.000 0.269 599 S C 1.839 176.449 174.600 0.016 0.000 1.334 599 S CA 0.185 58.397 58.200 0.020 0.000 1.015 599 S CB 1.400 64.620 63.200 0.034 0.000 0.912 599 S HN 1.826 nan 8.310 nan 0.000 0.541 600 I N 1.388 121.975 120.570 0.029 0.000 2.300 600 I HA -0.153 4.018 4.170 0.002 0.000 0.252 600 I C 1.944 178.120 176.117 0.097 0.000 1.119 600 I CA 2.051 63.365 61.300 0.025 0.000 1.384 600 I CB -0.967 37.092 38.000 0.099 0.000 1.062 600 I HN 0.880 nan 8.210 nan 0.000 0.426 601 G N 0.430 109.301 108.800 0.118 0.000 2.403 601 G HA2 -0.245 3.716 3.960 0.002 0.000 0.216 601 G HA3 -0.245 3.716 3.960 0.002 0.000 0.216 601 G C 1.819 176.785 174.900 0.110 0.000 1.154 601 G CA 0.589 45.774 45.100 0.141 0.000 0.784 601 G HN 0.420 nan 8.290 nan 0.000 0.538 602 R N 0.054 120.591 120.500 0.061 0.000 2.161 602 R HA 0.082 4.423 4.340 0.002 0.000 0.213 602 R C 2.570 178.889 176.300 0.031 0.000 1.055 602 R CA 0.071 56.198 56.100 0.044 0.000 0.996 602 R CB -0.122 30.194 30.300 0.026 0.000 0.901 602 R HN 0.097 nan 8.270 nan 0.000 0.456 603 R N -0.239 120.252 120.500 -0.014 0.000 2.105 603 R HA -0.167 4.175 4.340 0.002 0.000 0.239 603 R C 1.747 177.996 176.300 -0.084 0.000 1.135 603 R CA 1.398 57.442 56.100 -0.094 0.000 0.967 603 R CB -0.563 29.607 30.300 -0.216 0.000 0.861 603 R HN 0.334 nan 8.270 nan 0.000 0.442 604 Y N 0.337 120.657 120.300 0.033 0.000 2.420 604 Y HA 0.087 4.639 4.550 0.002 0.000 0.292 604 Y C 2.406 178.311 175.900 0.008 0.000 1.119 604 Y CA 0.412 58.527 58.100 0.024 0.000 1.229 604 Y CB -0.531 37.933 38.460 0.007 0.000 1.026 604 Y HN 0.059 nan 8.280 nan 0.000 0.554 605 A N 0.033 122.945 122.820 0.153 0.000 2.024 605 A HA -0.223 4.098 4.320 0.002 0.000 0.220 605 A C 2.270 179.911 177.584 0.094 0.000 1.164 605 A CA 1.801 53.890 52.037 0.087 0.000 0.643 605 A CB -0.471 18.565 19.000 0.060 0.000 0.806 605 A HN 0.403 nan 8.150 nan 0.000 0.451 606 R N -1.961 118.598 120.500 0.098 0.000 2.140 606 R HA 0.003 4.344 4.340 0.002 0.000 0.213 606 R C 2.110 178.486 176.300 0.126 0.000 1.059 606 R CA 1.250 57.411 56.100 0.101 0.000 1.000 606 R CB -0.228 30.118 30.300 0.078 0.000 0.910 606 R HN 0.474 nan 8.270 nan 0.000 0.455 607 T N 0.834 115.475 114.554 0.146 0.000 2.857 607 T HA -0.084 4.267 4.350 0.002 0.000 0.266 607 T C 0.945 175.715 174.700 0.117 0.000 1.048 607 T CA 1.232 63.429 62.100 0.162 0.000 1.139 607 T CB -0.069 68.952 68.868 0.255 0.000 0.874 607 T HN 0.229 nan 8.240 nan 0.000 0.455 608 D N 0.904 121.374 120.400 0.117 0.000 2.149 608 D HA -0.075 4.566 4.640 0.002 0.000 0.201 608 D C 2.010 178.420 176.300 0.183 0.000 0.972 608 D CA 0.754 54.810 54.000 0.094 0.000 0.835 608 D CB -0.253 40.543 40.800 -0.006 0.000 0.966 608 D HN 0.516 nan 8.370 nan 0.000 0.476 609 E N 0.783 121.095 120.200 0.187 0.000 2.171 609 E HA -0.168 4.183 4.350 0.002 0.000 0.197 609 E C 2.012 178.849 176.600 0.394 0.000 0.997 609 E CA 0.874 57.428 56.400 0.256 0.000 0.810 609 E CB -0.053 29.770 29.700 0.206 0.000 0.738 609 E HN 0.440 nan 8.360 nan 0.000 0.467 610 I N -4.399 116.344 120.570 0.287 0.000 3.875 610 I HA 0.416 4.587 4.170 0.002 0.000 0.329 610 I C 1.115 177.414 176.117 0.303 0.000 1.295 610 I CA 0.396 61.911 61.300 0.359 0.000 1.129 610 I CB 0.524 38.599 38.000 0.126 0.000 1.008 610 I HN 0.149 nan 8.210 nan 0.000 0.413 611 G N 1.664 110.554 108.800 0.151 0.000 2.136 611 G HA2 -0.220 3.741 3.960 0.002 0.000 0.242 611 G HA3 -0.220 3.741 3.960 0.002 0.000 0.242 611 G C 0.179 175.086 174.900 0.011 0.000 0.989 611 G CA 0.079 45.185 45.100 0.011 0.000 0.682 611 G HN 0.289 nan 8.290 nan 0.000 0.522 612 V N 0.792 120.650 119.914 -0.094 0.000 2.557 612 V HA 0.305 4.426 4.120 0.002 0.000 0.301 612 V C 2.023 178.026 176.094 -0.152 0.000 1.026 612 V CA 1.092 63.267 62.300 -0.209 0.000 1.137 612 V CB 0.437 32.125 31.823 -0.225 0.000 0.917 612 V HN 0.945 nan 8.190 nan 0.000 0.484 613 A N 5.150 127.844 122.820 -0.211 0.000 1.851 613 A HA 0.012 4.333 4.320 0.002 0.000 0.216 613 A C 0.698 177.805 177.584 -0.796 0.000 1.195 613 A CA 1.641 53.351 52.037 -0.544 0.000 0.622 613 A CB -0.242 18.384 19.000 -0.623 0.000 0.831 613 A HN 0.637 nan 8.150 nan 0.000 0.444 614 F N -2.850 117.113 119.950 0.022 0.000 2.679 614 F HA 0.676 5.204 4.527 0.002 0.000 0.341 614 F C 0.505 176.359 175.800 0.090 0.000 1.095 614 F CA -0.597 57.398 58.000 -0.009 0.000 1.004 614 F CB 1.327 40.334 39.000 0.012 0.000 1.388 614 F HN 0.275 nan 8.300 nan 0.000 0.505 615 G N -0.197 108.791 108.800 0.313 0.000 2.759 615 G HA2 0.561 4.522 3.960 0.002 0.000 0.297 615 G HA3 0.561 4.522 3.960 0.002 0.000 0.297 615 G C -2.543 172.538 174.900 0.302 0.000 1.434 615 G CA -0.660 44.666 45.100 0.377 0.000 0.980 615 G HN 0.472 nan 8.290 nan 0.000 0.531 616 V N 1.462 121.549 119.914 0.288 0.000 2.407 616 V HA 0.535 4.656 4.120 0.002 0.000 0.291 616 V C 0.068 176.279 176.094 0.195 0.000 1.018 616 V CA -0.608 61.806 62.300 0.191 0.000 0.842 616 V CB 1.634 33.526 31.823 0.115 0.000 0.996 616 V HN 0.781 nan 8.190 nan 0.000 0.426 617 T N 6.598 121.263 114.554 0.184 0.000 2.767 617 T HA 0.592 4.944 4.350 0.002 0.000 0.288 617 T C -0.067 174.669 174.700 0.060 0.000 0.963 617 T CA -0.028 62.156 62.100 0.141 0.000 1.019 617 T CB 0.639 69.624 68.868 0.196 0.000 0.923 617 T HN 0.406 nan 8.240 nan 0.000 0.468 618 I N 4.530 125.134 120.570 0.056 0.000 2.371 618 I HA 0.281 4.452 4.170 0.002 0.000 0.282 618 I C -0.037 176.141 176.117 0.102 0.000 1.031 618 I CA -0.872 60.455 61.300 0.045 0.000 1.180 618 I CB 0.848 38.896 38.000 0.081 0.000 1.336 618 I HN 0.686 nan 8.210 nan 0.000 0.467 619 D N 4.205 124.638 120.400 0.055 0.000 2.564 619 D HA 0.307 4.948 4.640 0.002 0.000 0.273 619 D C 0.731 177.040 176.300 0.015 0.000 1.192 619 D CA -0.554 53.518 54.000 0.121 0.000 1.080 619 D CB 0.515 41.425 40.800 0.184 0.000 1.160 619 D HN 0.220 nan 8.370 nan 0.000 0.607 620 F N -0.338 119.715 119.950 0.172 0.000 2.171 620 F HA -0.014 4.514 4.527 0.001 0.000 0.300 620 F C 1.692 177.428 175.800 -0.108 0.000 1.090 620 F CA 1.087 59.094 58.000 0.012 0.000 1.293 620 F CB -0.686 38.377 39.000 0.106 0.000 1.013 620 F HN 0.232 nan 8.300 nan 0.000 0.486 621 D N -0.705 119.781 120.400 0.143 0.000 2.263 621 D HA -0.124 4.517 4.640 0.002 0.000 0.208 621 D C 2.106 178.388 176.300 -0.029 0.000 0.971 621 D CA 1.509 55.542 54.000 0.056 0.000 0.867 621 D CB -0.468 40.375 40.800 0.072 0.000 0.929 621 D HN 0.188 nan 8.370 nan 0.000 0.492 622 T N -0.644 113.837 114.554 -0.121 0.000 2.904 622 T HA -0.036 4.315 4.350 0.002 0.000 0.267 622 T C 2.014 176.511 174.700 -0.339 0.000 1.059 622 T CA 0.511 62.499 62.100 -0.186 0.000 1.137 622 T CB 0.080 68.785 68.868 -0.271 0.000 0.879 622 T HN 0.019 nan 8.240 nan 0.000 0.467 623 V N 1.816 121.372 119.914 -0.596 0.000 2.436 623 V HA -0.000 4.121 4.120 0.002 0.000 0.240 623 V C 2.296 178.360 176.094 -0.050 0.000 1.040 623 V CA 0.913 62.777 62.300 -0.726 0.000 1.052 623 V CB -0.369 30.812 31.823 -1.071 0.000 0.707 623 V HN 0.371 nan 8.190 nan 0.000 0.469 624 N N 0.339 119.016 118.700 -0.039 0.000 2.092 624 N HA -0.041 4.700 4.740 0.002 0.000 0.189 624 N C 1.038 176.575 175.510 0.046 0.000 1.040 624 N CA 0.797 53.878 53.050 0.051 0.000 0.845 624 N CB -0.211 38.312 38.487 0.059 0.000 1.017 624 N HN 0.304 nan 8.380 nan 0.000 0.426 625 K N 0.337 120.741 120.400 0.006 0.000 2.229 625 K HA 0.119 4.440 4.320 0.002 0.000 0.250 625 K C 0.165 176.634 176.600 -0.219 0.000 1.016 625 K CA 0.416 56.669 56.287 -0.055 0.000 0.866 625 K CB 0.221 32.700 32.500 -0.034 0.000 1.028 625 K HN 0.073 nan 8.250 nan 0.000 0.514 626 T N 1.038 115.454 114.554 -0.229 0.000 3.435 626 T HA 0.394 4.745 4.350 0.002 0.000 0.344 626 T C -2.653 171.947 174.700 -0.168 0.000 1.211 626 T CA -1.480 60.405 62.100 -0.359 0.000 1.104 626 T CB 0.484 69.159 68.868 -0.321 0.000 1.196 626 T HN 0.364 nan 8.240 nan 0.000 0.471 627 P HA 0.248 nan 4.420 nan 0.000 0.267 627 P C -0.629 176.563 177.300 -0.181 0.000 1.201 627 P CA -0.258 62.754 63.100 -0.147 0.000 0.775 627 P CB 0.243 31.925 31.700 -0.031 0.000 0.854 628 H N 0.687 119.802 119.070 0.076 0.000 2.864 628 H HA 0.240 4.797 4.556 0.002 0.000 0.281 628 H C 0.386 175.751 175.328 0.061 0.000 1.093 628 H CA 0.096 56.202 56.048 0.097 0.000 1.453 628 H CB 0.008 29.934 29.762 0.273 0.000 1.462 628 H HN 0.398 nan 8.280 nan 0.000 0.480 629 T N 0.481 115.089 114.554 0.090 0.000 2.856 629 T HA 0.776 5.127 4.350 0.002 0.000 0.283 629 T C 0.080 174.768 174.700 -0.020 0.000 1.008 629 T CA -0.986 61.135 62.100 0.035 0.000 0.997 629 T CB 2.305 71.175 68.868 0.003 0.000 0.992 629 T HN 0.580 nan 8.240 nan 0.000 0.454 630 A N 1.788 124.587 122.820 -0.034 0.000 2.344 630 A HA 0.845 5.166 4.320 0.002 0.000 0.307 630 A C 0.059 177.564 177.584 -0.131 0.000 1.151 630 A CA -0.969 51.027 52.037 -0.069 0.000 0.842 630 A CB 1.135 20.130 19.000 -0.008 0.000 1.350 630 A HN 0.859 nan 8.150 nan 0.000 0.459 631 T N 1.218 115.687 114.554 -0.142 0.000 2.767 631 T HA 0.471 4.822 4.350 0.002 0.000 0.284 631 T C -0.748 173.958 174.700 0.010 0.000 0.973 631 T CA -0.070 61.934 62.100 -0.160 0.000 0.996 631 T CB 0.713 69.426 68.868 -0.259 0.000 0.927 631 T HN 0.503 nan 8.240 nan 0.000 0.456 632 L N 4.335 125.588 121.223 0.049 0.000 2.272 632 L HA 0.578 4.919 4.340 0.002 0.000 0.289 632 L C 0.036 177.039 176.870 0.222 0.000 1.032 632 L CA -0.406 54.509 54.840 0.125 0.000 0.810 632 L CB 0.669 42.786 42.059 0.097 0.000 1.205 632 L HN 0.537 nan 8.230 nan 0.000 0.422 633 R N 3.735 124.294 120.500 0.099 0.000 2.445 633 R HA 0.344 4.685 4.340 0.002 0.000 0.308 633 R C -1.045 175.121 176.300 -0.224 0.000 0.961 633 R CA -0.642 55.415 56.100 -0.071 0.000 0.862 633 R CB 1.100 31.197 30.300 -0.338 0.000 1.144 633 R HN 0.721 nan 8.270 nan 0.000 0.447 634 D N 3.574 123.658 120.400 -0.527 0.000 2.249 634 D HA 0.066 4.707 4.640 0.002 0.000 0.246 634 D C 0.711 176.708 176.300 -0.506 0.000 1.114 634 D CA -0.140 53.420 54.000 -0.733 0.000 0.854 634 D CB 1.359 41.179 40.800 -1.633 0.000 1.132 634 D HN 0.633 nan 8.370 nan 0.000 0.461 635 R N 3.630 123.869 120.500 -0.434 0.000 2.088 635 R HA -0.173 4.168 4.340 0.002 0.000 0.232 635 R C 0.907 176.956 176.300 -0.419 0.000 1.136 635 R CA 1.698 57.574 56.100 -0.372 0.000 0.926 635 R CB -0.084 30.046 30.300 -0.283 0.000 0.837 635 R HN 0.558 nan 8.270 nan 0.000 0.429 636 D N 0.295 120.505 120.400 -0.317 0.000 2.108 636 D HA -0.161 4.480 4.640 0.002 0.000 0.190 636 D C 1.942 178.052 176.300 -0.316 0.000 0.995 636 D CA 2.243 56.103 54.000 -0.233 0.000 0.834 636 D CB -0.403 40.350 40.800 -0.078 0.000 0.967 636 D HN 0.429 nan 8.370 nan 0.000 0.446 637 S N -0.269 115.264 115.700 -0.278 0.000 2.461 637 S HA -0.036 4.435 4.470 0.002 0.000 0.228 637 S C 1.522 176.000 174.600 -0.203 0.000 1.005 637 S CA 0.600 58.684 58.200 -0.194 0.000 0.942 637 S CB -0.056 63.087 63.200 -0.096 0.000 0.776 637 S HN 0.335 nan 8.310 nan 0.000 0.514 638 M N -1.027 118.400 119.600 -0.288 0.000 2.901 638 M HA -0.208 4.273 4.480 0.002 0.000 0.182 638 M C -0.128 176.099 176.300 -0.122 0.000 0.641 638 M CA 0.849 55.998 55.300 -0.250 0.000 0.689 638 M CB -1.416 31.047 32.600 -0.227 0.000 2.484 638 M HN 0.393 nan 8.290 nan 0.000 0.302 639 R N 1.434 121.915 120.500 -0.031 0.000 2.594 639 R HA 0.382 4.724 4.340 0.002 0.000 0.272 639 R C 0.258 176.745 176.300 0.312 0.000 1.074 639 R CA 0.187 56.394 56.100 0.178 0.000 1.105 639 R CB 0.553 31.074 30.300 0.369 0.000 1.008 639 R HN 0.357 nan 8.270 nan 0.000 0.472 640 Q N 1.099 121.098 119.800 0.333 0.000 2.418 640 Q HA 0.572 4.913 4.340 0.002 0.000 0.276 640 Q C -0.562 175.669 176.000 0.384 0.000 1.081 640 Q CA -0.957 55.080 55.803 0.391 0.000 0.864 640 Q CB 1.935 30.907 28.738 0.390 0.000 1.384 640 Q HN 0.305 nan 8.270 nan 0.000 0.467 641 I N 0.457 121.207 120.570 0.300 0.000 2.994 641 I HA 0.409 4.580 4.170 0.002 0.000 0.306 641 I C -1.248 174.903 176.117 0.057 0.000 1.195 641 I CA -0.630 60.759 61.300 0.147 0.000 1.001 641 I CB 2.399 40.391 38.000 -0.013 0.000 1.244 641 I HN 0.532 nan 8.210 nan 0.000 0.437 642 R N 2.991 123.514 120.500 0.039 0.000 2.435 642 R HA 0.815 5.156 4.340 0.002 0.000 0.308 642 R C -1.356 174.955 176.300 0.017 0.000 0.975 642 R CA -0.298 55.770 56.100 -0.055 0.000 0.867 642 R CB 1.385 31.656 30.300 -0.047 0.000 1.171 642 R HN 0.762 nan 8.270 nan 0.000 0.470 643 A N 2.570 125.377 122.820 -0.022 0.000 2.527 643 A HA 0.485 4.806 4.320 0.002 0.000 0.293 643 A C -1.089 176.513 177.584 0.030 0.000 1.117 643 A CA -0.806 51.257 52.037 0.044 0.000 0.723 643 A CB 1.155 20.091 19.000 -0.106 0.000 1.313 643 A HN 0.726 nan 8.150 nan 0.000 0.411 644 E N 0.258 120.504 120.200 0.076 0.000 2.452 644 E HA 0.040 4.391 4.350 0.002 0.000 0.261 644 E C 0.425 177.063 176.600 0.062 0.000 0.987 644 E CA -0.046 56.400 56.400 0.077 0.000 0.926 644 E CB 0.414 30.167 29.700 0.089 0.000 0.934 644 E HN 0.548 nan 8.360 nan 0.000 0.452 645 I N 3.595 124.221 120.570 0.093 0.000 3.241 645 I HA -0.188 3.983 4.170 0.002 0.000 0.280 645 I C 1.301 177.461 176.117 0.072 0.000 1.320 645 I CA 1.044 62.397 61.300 0.089 0.000 1.413 645 I CB -0.027 38.069 38.000 0.160 0.000 1.060 645 I HN 0.433 nan 8.210 nan 0.000 0.500 646 S N -1.902 113.838 115.700 0.066 0.000 2.505 646 S HA 0.143 4.614 4.470 0.002 0.000 0.216 646 S C 1.405 176.036 174.600 0.050 0.000 1.018 646 S CA -0.312 57.920 58.200 0.054 0.000 0.911 646 S CB 0.117 63.348 63.200 0.052 0.000 0.818 646 S HN 0.514 nan 8.310 nan 0.000 0.497 647 E N 1.187 121.412 120.200 0.041 0.000 2.364 647 E HA 0.281 4.632 4.350 0.002 0.000 0.196 647 E C 1.593 178.168 176.600 -0.042 0.000 0.990 647 E CA 0.098 56.515 56.400 0.029 0.000 0.886 647 E CB -0.128 29.623 29.700 0.084 0.000 0.866 647 E HN 0.398 nan 8.360 nan 0.000 0.493 648 L N 1.294 122.480 121.223 -0.062 0.000 2.043 648 L HA -0.169 4.172 4.340 0.002 0.000 0.212 648 L C -0.681 176.127 176.870 -0.102 0.000 1.075 648 L CA 1.484 56.258 54.840 -0.111 0.000 0.752 648 L CB -1.520 40.498 42.059 -0.069 0.000 0.891 648 L HN 0.105 nan 8.230 nan 0.000 0.432 649 P HA -0.217 nan 4.420 nan 0.000 0.214 649 P C 1.912 179.049 177.300 -0.271 0.000 1.169 649 P CA 2.193 65.275 63.100 -0.029 0.000 0.908 649 P CB -0.084 31.718 31.700 0.170 0.000 0.791 650 S N -1.339 114.138 115.700 -0.371 0.000 2.399 650 S HA -0.133 4.338 4.470 0.002 0.000 0.231 650 S C 1.974 176.415 174.600 -0.265 0.000 1.022 650 S CA 1.078 58.984 58.200 -0.490 0.000 0.983 650 S CB -1.631 61.411 63.200 -0.263 0.000 0.803 650 S HN 0.043 nan 8.310 nan 0.000 0.480 651 I N 1.352 121.802 120.570 -0.201 0.000 2.133 651 I HA -0.113 4.059 4.170 0.002 0.000 0.238 651 I C 2.442 178.428 176.117 -0.217 0.000 1.074 651 I CA 1.099 62.284 61.300 -0.191 0.000 1.342 651 I CB -0.611 37.232 38.000 -0.262 0.000 1.053 651 I HN 0.194 nan 8.210 nan 0.000 0.404 652 V N 0.736 120.509 119.914 -0.235 0.000 2.568 652 V HA -0.323 3.799 4.120 0.002 0.000 0.253 652 V C 2.471 178.477 176.094 -0.148 0.000 1.072 652 V CA 1.972 64.108 62.300 -0.274 0.000 1.084 652 V CB -0.815 30.917 31.823 -0.151 0.000 0.676 652 V HN 0.537 nan 8.190 nan 0.000 0.469 653 Q N -0.317 119.404 119.800 -0.131 0.000 2.079 653 Q HA -0.225 4.116 4.340 0.002 0.000 0.200 653 Q C 1.898 177.878 176.000 -0.032 0.000 0.974 653 Q CA 1.835 57.597 55.803 -0.069 0.000 0.840 653 Q CB -0.057 28.581 28.738 -0.166 0.000 0.898 653 Q HN 0.628 nan 8.270 nan 0.000 0.430 654 D N 0.306 120.666 120.400 -0.066 0.000 2.183 654 D HA -0.086 4.555 4.640 0.002 0.000 0.203 654 D C 2.008 178.316 176.300 0.014 0.000 0.969 654 D CA 0.665 54.653 54.000 -0.020 0.000 0.842 654 D CB 0.060 40.843 40.800 -0.029 0.000 0.957 654 D HN 0.316 nan 8.370 nan 0.000 0.484 655 L N 0.738 121.939 121.223 -0.038 0.000 2.093 655 L HA -0.116 4.225 4.340 0.002 0.000 0.208 655 L C 2.514 179.519 176.870 0.225 0.000 1.085 655 L CA 1.004 55.854 54.840 0.017 0.000 0.755 655 L CB -0.238 41.600 42.059 -0.369 0.000 0.904 655 L HN -0.029 nan 8.230 nan 0.000 0.435 656 A N 0.045 123.001 122.820 0.228 0.000 1.898 656 A HA -0.146 4.175 4.320 0.002 0.000 0.214 656 A C 1.892 179.585 177.584 0.181 0.000 1.183 656 A CA 1.420 53.642 52.037 0.308 0.000 0.622 656 A CB -0.644 18.533 19.000 0.295 0.000 0.824 656 A HN 0.486 nan 8.150 nan 0.000 0.444 657 N N -0.736 118.039 118.700 0.125 0.000 2.512 657 N HA 0.138 4.879 4.740 0.002 0.000 0.183 657 N C 0.973 176.537 175.510 0.091 0.000 1.073 657 N CA 0.415 53.523 53.050 0.095 0.000 0.911 657 N CB -0.016 38.513 38.487 0.070 0.000 0.964 657 N HN 0.640 nan 8.380 nan 0.000 0.447 658 G N 0.972 109.836 108.800 0.107 0.000 2.136 658 G HA2 -0.307 3.654 3.960 0.002 0.000 0.242 658 G HA3 -0.307 3.654 3.960 0.002 0.000 0.242 658 G C 0.489 175.436 174.900 0.078 0.000 0.989 658 G CA 0.300 45.461 45.100 0.101 0.000 0.682 658 G HN 0.469 nan 8.290 nan 0.000 0.522 659 N N -0.934 117.804 118.700 0.064 0.000 2.376 659 N HA 0.221 4.962 4.740 0.002 0.000 0.177 659 N C 0.306 175.844 175.510 0.047 0.000 1.024 659 N CA 0.548 53.627 53.050 0.047 0.000 0.893 659 N CB 0.340 38.846 38.487 0.033 0.000 0.980 659 N HN 0.426 nan 8.380 nan 0.000 0.439 660 I N -0.073 120.531 120.570 0.055 0.000 2.730 660 I HA 0.158 4.329 4.170 0.002 0.000 0.298 660 I C -0.276 175.898 176.117 0.095 0.000 1.089 660 I CA -0.459 60.875 61.300 0.056 0.000 1.041 660 I CB 2.250 40.269 38.000 0.031 0.000 1.235 660 I HN -0.229 nan 8.210 nan 0.000 0.423 661 T N 4.285 118.896 114.554 0.096 0.000 2.922 661 T HA 0.045 4.396 4.350 0.002 0.000 0.285 661 T C 0.842 175.651 174.700 0.183 0.000 1.005 661 T CA -0.179 62.009 62.100 0.148 0.000 1.061 661 T CB 1.052 69.988 68.868 0.113 0.000 1.007 661 T HN 0.688 nan 8.240 nan 0.000 0.502 662 W N 2.035 123.378 121.300 0.071 0.000 2.364 662 W HA -0.172 4.489 4.660 0.002 0.000 0.281 662 W C 1.830 178.380 176.519 0.051 0.000 1.219 662 W CA 1.179 58.564 57.345 0.066 0.000 1.220 662 W CB -0.184 29.340 29.460 0.106 0.000 1.127 662 W HN 0.850 nan 8.180 nan 0.000 0.556 663 A N 0.919 123.758 122.820 0.032 0.000 1.877 663 A HA -0.248 4.073 4.320 0.002 0.000 0.216 663 A C 1.591 179.098 177.584 -0.127 0.000 1.186 663 A CA 2.116 54.111 52.037 -0.070 0.000 0.620 663 A CB -1.076 17.939 19.000 0.025 0.000 0.822 663 A HN 0.229 nan 8.150 nan 0.000 0.443 664 D N -0.094 120.268 120.400 -0.063 0.000 2.123 664 D HA -0.129 4.512 4.640 0.002 0.000 0.196 664 D C 2.011 178.260 176.300 -0.086 0.000 0.992 664 D CA 1.494 55.464 54.000 -0.051 0.000 0.833 664 D CB -0.632 40.165 40.800 -0.004 0.000 0.954 664 D HN 0.213 nan 8.370 nan 0.000 0.455 665 V N 1.057 120.865 119.914 -0.177 0.000 2.287 665 V HA -0.238 3.883 4.120 0.002 0.000 0.248 665 V C 2.079 178.025 176.094 -0.248 0.000 1.053 665 V CA 1.753 63.914 62.300 -0.231 0.000 1.027 665 V CB -0.506 30.989 31.823 -0.546 0.000 0.646 665 V HN 0.253 nan 8.190 nan 0.000 0.447 666 E N -0.252 119.676 120.200 -0.454 0.000 2.478 666 E HA -0.036 4.315 4.350 0.002 0.000 0.198 666 E C 2.069 178.585 176.600 -0.141 0.000 1.046 666 E CA 0.829 57.039 56.400 -0.317 0.000 0.870 666 E CB -0.104 29.378 29.700 -0.363 0.000 0.818 666 E HN 0.641 nan 8.360 nan 0.000 0.527 667 A N 0.790 123.542 122.820 -0.112 0.000 1.997 667 A HA 0.023 4.344 4.320 0.002 0.000 0.212 667 A C 1.967 179.500 177.584 -0.084 0.000 1.178 667 A CA 0.344 52.335 52.037 -0.077 0.000 0.698 667 A CB 0.152 19.113 19.000 -0.065 0.000 0.842 667 A HN 0.017 nan 8.150 nan 0.000 0.458 668 R N -1.867 118.583 120.500 -0.085 0.000 2.090 668 R HA 0.159 4.500 4.340 0.002 0.000 0.219 668 R C -0.318 175.746 176.300 -0.394 0.000 1.100 668 R CA 0.496 56.444 56.100 -0.252 0.000 0.991 668 R CB -0.105 29.992 30.300 -0.338 0.000 0.893 668 R HN 0.512 nan 8.270 nan 0.000 0.443 669 Y N 1.350 121.589 120.300 -0.102 0.000 2.453 669 Y HA 0.324 4.875 4.550 0.002 0.000 0.326 669 Y C -2.008 173.852 175.900 -0.066 0.000 1.186 669 Y CA -3.585 54.467 58.100 -0.079 0.000 1.200 669 Y CB 0.248 38.655 38.460 -0.088 0.000 1.247 669 Y HN -0.068 nan 8.280 nan 0.000 0.482 670 P HA 0.092 nan 4.420 nan 0.000 0.271 670 P C -0.674 176.693 177.300 0.110 0.000 1.220 670 P CA 0.077 63.227 63.100 0.084 0.000 0.768 670 P CB 0.793 32.544 31.700 0.085 0.000 0.848 671 L N 3.278 124.554 121.223 0.087 0.000 2.467 671 L HA 0.265 4.606 4.340 0.002 0.000 0.270 671 L C 0.592 177.587 176.870 0.208 0.000 1.205 671 L CA 0.020 54.927 54.840 0.111 0.000 0.828 671 L CB -0.302 41.792 42.059 0.060 0.000 1.101 671 L HN 0.343 nan 8.230 nan 0.000 0.479 672 F N 1.559 121.539 119.950 0.051 0.000 2.539 672 F HA 0.386 4.913 4.527 0.002 0.000 0.328 672 F C 0.081 175.916 175.800 0.058 0.000 1.148 672 F CA -0.719 57.315 58.000 0.057 0.000 0.940 672 F CB 1.419 40.460 39.000 0.069 0.000 1.194 672 F HN 0.439 nan 8.300 nan 0.000 0.438 673 E N 0.000 119.903 120.200 -0.495 0.000 2.725 673 E HA 0.000 4.351 4.350 0.002 0.000 0.291 673 E CA 0.000 56.179 56.400 -0.368 0.000 0.976 673 E CB 0.000 29.550 29.700 -0.251 0.000 0.812 673 E HN 0.000 nan 8.360 nan 0.000 0.440