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 2c10_1_C DATA FIRST_RESID 41 DATA SEQUENCE cXXXXXXXXX XXXXXXXQLF ADLSREELTA VMRFLTQRLG PGLVDAAQAR DATA SEQUENCE PSDNCVFSVE LQLPPKAAAL AHLDRGSPPP AREALAIVFF GRQPQPNVSE DATA SEQUENCE LVVGPLPHPS YMRDVTVERH GGPLPYHRRP VLFQEYLDID QMIFNRELPQ DATA SEQUENCE ASGLLHHCCF YKHRGRNLVT MTTAPRGLQS GDRATWFGLY YNISGAGFFL DATA SEQUENCE HHVGLELLVN HKALDPARWT IQKVFYQGRY YDSLAQLEAQ FEAGLVNVVL DATA SEQUENCE IPDNGTGGSW SLKSPVPPGP APPLQFYPQG PRFSVQGSRV ASSLWTFSFG DATA SEQUENCE LGAFSGPRIF DVRFQGERLV YEISLQEALA IYGGNSPAAM TTRYVDGGFG DATA SEQUENCE MGKYTTPLTR GVDcPYLATY VDWHFLLESQ APKTIRDAFc VFEQNQGLPL DATA SEQUENCE RRHHSDLYSH YFGGLAETVL VVRSMSTLLN XDYVWDTVFH PSGAIEIRFY DATA SEQUENCE ATGYISSAFL FGATGKYGNQ VSEHTLGTVH THSAHFKVDL DVAGLENWVW DATA SEQUENCE AEDMVFVPMA VPWSPEHQLQ RLQVTRKLLE MEEQAAFLVG SATPRYLYLA DATA SEQUENCE SNHSNKWGHP RGYRIQMLSF AGEPLPQNSS MARGFSWERY QLAVTQRKEE DATA SEQUENCE EPSSSSVFNQ NDPWAPTVDF SDFINNETIA GKDLVAWVTA GFLHIPHAED DATA SEQUENCE IPNTVTVGNG VGFFLRPYNF FDEDPSFYSA DSIYFRGDQD AGAcEVNPLA DATA SEQUENCE cLPQAAAcAP DLPAFSHGGF SH 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 41 c HA 0.000 nan 4.570 nan 0.000 0.325 41 c C 0.000 174.154 174.090 0.106 0.000 1.270 41 c CA 0.000 56.404 56.329 0.124 0.000 1.963 41 c CB 0.000 42.628 42.510 0.196 0.000 2.134 59 L N -2.383 118.638 121.223 -0.336 0.000 2.551 59 L HA 0.215 4.555 4.340 0.000 0.000 0.228 59 L C 0.842 177.277 176.870 -0.725 0.000 1.153 59 L CA 1.278 55.779 54.840 -0.564 0.000 0.851 59 L CB -0.289 41.351 42.059 -0.698 0.000 0.959 59 L HN 0.315 nan 8.230 nan 0.000 0.451 60 F N 0.748 120.571 119.950 -0.212 0.000 2.661 60 F HA 0.527 5.054 4.527 0.000 0.000 0.306 60 F C 1.467 177.164 175.800 -0.173 0.000 1.094 60 F CA -0.532 57.275 58.000 -0.323 0.000 1.254 60 F CB 0.012 38.722 39.000 -0.482 0.000 1.040 60 F HN 0.009 nan 8.300 nan 0.000 0.562 61 A N 0.694 123.498 122.820 -0.027 0.000 2.450 61 A HA 0.158 4.478 4.320 0.000 0.000 0.255 61 A C 0.033 177.626 177.584 0.016 0.000 1.096 61 A CA -0.517 51.501 52.037 -0.032 0.000 0.778 61 A CB -0.099 18.860 19.000 -0.069 0.000 1.031 61 A HN 0.101 nan 8.150 nan 0.000 0.494 62 D N 1.527 121.983 120.400 0.092 0.000 2.478 62 D HA 0.083 4.723 4.640 0.000 0.000 0.234 62 D C 0.548 176.894 176.300 0.076 0.000 1.154 62 D CA 0.509 54.606 54.000 0.162 0.000 0.874 62 D CB 0.351 41.365 40.800 0.356 0.000 1.198 62 D HN 0.462 nan 8.370 nan 0.000 0.455 63 L N 1.661 122.911 121.223 0.045 0.000 2.578 63 L HA -0.066 4.274 4.340 0.000 0.000 0.279 63 L C 1.333 178.173 176.870 -0.049 0.000 1.227 63 L CA 0.152 54.979 54.840 -0.022 0.000 0.900 63 L CB -0.180 41.861 42.059 -0.031 0.000 1.144 63 L HN 0.398 nan 8.230 nan 0.000 0.496 64 S N 3.492 119.132 115.700 -0.101 0.000 2.645 64 S HA 0.306 4.776 4.470 0.000 0.000 0.266 64 S C 1.148 175.603 174.600 -0.242 0.000 1.258 64 S CA -0.797 57.286 58.200 -0.195 0.000 0.990 64 S CB 1.484 64.565 63.200 -0.198 0.000 0.967 64 S HN 0.607 nan 8.310 nan 0.000 0.556 65 R N 0.727 120.997 120.500 -0.384 0.000 2.168 65 R HA -0.231 4.109 4.340 0.000 0.000 0.242 65 R C 2.374 178.562 176.300 -0.188 0.000 1.123 65 R CA 2.366 58.293 56.100 -0.289 0.000 0.928 65 R CB -0.865 29.248 30.300 -0.313 0.000 0.873 65 R HN 0.920 nan 8.270 nan 0.000 0.434 66 E N 0.478 120.574 120.200 -0.173 0.000 2.070 66 E HA -0.250 4.100 4.350 0.000 0.000 0.197 66 E C 1.871 178.399 176.600 -0.121 0.000 1.004 66 E CA 1.744 58.067 56.400 -0.127 0.000 0.805 66 E CB 0.059 29.686 29.700 -0.122 0.000 0.744 66 E HN 0.406 nan 8.360 nan 0.000 0.451 67 E N 0.226 120.344 120.200 -0.136 0.000 2.031 67 E HA -0.197 4.153 4.350 0.000 0.000 0.193 67 E C 2.354 178.893 176.600 -0.101 0.000 0.994 67 E CA 1.169 57.492 56.400 -0.128 0.000 0.800 67 E CB -0.140 29.484 29.700 -0.127 0.000 0.752 67 E HN 0.279 nan 8.360 nan 0.000 0.447 68 L N 0.793 121.955 121.223 -0.102 0.000 2.013 68 L HA -0.245 4.095 4.340 0.000 0.000 0.212 68 L C 2.614 179.445 176.870 -0.065 0.000 1.073 68 L CA 1.545 56.335 54.840 -0.084 0.000 0.753 68 L CB -0.783 41.206 42.059 -0.115 0.000 0.890 68 L HN 0.202 nan 8.230 nan 0.000 0.432 69 T N -0.363 114.147 114.554 -0.074 0.000 2.788 69 T HA -0.159 4.191 4.350 0.000 0.000 0.268 69 T C 1.996 176.687 174.700 -0.016 0.000 1.044 69 T CA 1.195 63.266 62.100 -0.048 0.000 1.139 69 T CB -0.277 68.558 68.868 -0.056 0.000 0.867 69 T HN 0.466 nan 8.240 nan 0.000 0.454 70 A N 1.120 123.924 122.820 -0.027 0.000 1.902 70 A HA -0.029 4.291 4.320 0.000 0.000 0.217 70 A C 2.592 180.198 177.584 0.036 0.000 1.181 70 A CA 1.325 53.362 52.037 -0.001 0.000 0.623 70 A CB -0.978 17.989 19.000 -0.055 0.000 0.818 70 A HN 0.358 nan 8.150 nan 0.000 0.443 71 V N -0.584 119.334 119.914 0.007 0.000 2.295 71 V HA -0.284 3.836 4.120 0.000 0.000 0.246 71 V C 2.566 178.732 176.094 0.121 0.000 1.049 71 V CA 2.328 64.659 62.300 0.051 0.000 1.024 71 V CB -0.726 31.105 31.823 0.014 0.000 0.648 71 V HN 0.635 nan 8.190 nan 0.000 0.447 72 M N 0.327 119.965 119.600 0.063 0.000 2.117 72 M HA -0.139 4.341 4.480 0.000 0.000 0.262 72 M C 2.220 178.560 176.300 0.066 0.000 1.065 72 M CA 1.809 57.141 55.300 0.053 0.000 1.114 72 M CB -0.806 31.801 32.600 0.012 0.000 1.361 72 M HN 0.206 nan 8.290 nan 0.000 0.408 73 R N -1.295 119.249 120.500 0.073 0.000 2.096 73 R HA -0.186 4.154 4.340 0.000 0.000 0.235 73 R C 2.137 178.503 176.300 0.111 0.000 1.127 73 R CA 1.781 57.926 56.100 0.075 0.000 0.968 73 R CB -0.594 29.751 30.300 0.074 0.000 0.861 73 R HN 0.453 nan 8.270 nan 0.000 0.440 74 F N 0.838 120.791 119.950 0.004 0.000 2.259 74 F HA -0.022 4.505 4.527 0.000 0.000 0.298 74 F C 1.683 177.496 175.800 0.023 0.000 1.088 74 F CA 1.043 59.048 58.000 0.009 0.000 1.358 74 F CB 0.023 39.020 39.000 -0.005 0.000 1.040 74 F HN -0.027 nan 8.300 nan 0.000 0.505 75 L N -0.168 121.119 121.223 0.106 0.000 2.093 75 L HA -0.181 4.159 4.340 0.000 0.000 0.208 75 L C 2.494 179.344 176.870 -0.033 0.000 1.085 75 L CA 1.689 56.546 54.840 0.028 0.000 0.755 75 L CB -1.117 40.998 42.059 0.094 0.000 0.904 75 L HN 0.250 nan 8.230 nan 0.000 0.435 76 T N -3.642 110.904 114.554 -0.014 0.000 3.025 76 T HA -0.187 4.163 4.350 0.000 0.000 0.270 76 T C 1.633 176.304 174.700 -0.049 0.000 1.126 76 T CA 1.013 63.104 62.100 -0.015 0.000 1.105 76 T CB -0.062 68.808 68.868 0.003 0.000 0.884 76 T HN 0.397 nan 8.240 nan 0.000 0.522 77 Q N -0.129 119.599 119.800 -0.120 0.000 2.200 77 Q HA 0.230 4.570 4.340 0.000 0.000 0.197 77 Q C 2.650 178.539 176.000 -0.185 0.000 0.953 77 Q CA 0.206 55.918 55.803 -0.153 0.000 0.851 77 Q CB 0.228 28.850 28.738 -0.194 0.000 0.938 77 Q HN 0.289 nan 8.270 nan 0.000 0.488 78 R N 0.349 120.670 120.500 -0.300 0.000 2.200 78 R HA 0.077 4.417 4.340 0.000 0.000 0.208 78 R C 1.555 177.817 176.300 -0.063 0.000 1.033 78 R CA 0.626 56.592 56.100 -0.223 0.000 1.000 78 R CB 0.080 30.175 30.300 -0.342 0.000 0.906 78 R HN 0.268 nan 8.270 nan 0.000 0.462 79 L N 0.564 121.775 121.223 -0.020 0.000 2.627 79 L HA 0.144 4.485 4.340 0.000 0.000 0.232 79 L C 0.874 177.788 176.870 0.073 0.000 1.150 79 L CA 0.047 54.935 54.840 0.081 0.000 0.917 79 L CB -0.419 41.716 42.059 0.127 0.000 1.104 79 L HN 0.248 nan 8.230 nan 0.000 0.445 80 G N 1.211 110.025 108.800 0.024 0.000 2.749 80 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 80 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 80 G C -1.937 172.983 174.900 0.034 0.000 1.364 80 G CA -0.212 44.903 45.100 0.025 0.000 0.888 80 G HN 0.206 nan 8.290 nan 0.000 0.566 81 P HA 0.148 nan 4.420 nan 0.000 0.235 81 P C 1.758 179.086 177.300 0.047 0.000 1.177 81 P CA 1.451 64.571 63.100 0.033 0.000 0.785 81 P CB -0.107 31.609 31.700 0.026 0.000 0.885 82 G N -0.038 108.800 108.800 0.063 0.000 2.653 82 G HA2 -0.069 3.891 3.960 0.000 0.000 0.212 82 G HA3 -0.069 3.891 3.960 0.000 0.000 0.212 82 G C 0.277 175.230 174.900 0.089 0.000 1.138 82 G CA -0.043 45.104 45.100 0.078 0.000 0.782 82 G HN 0.217 nan 8.290 nan 0.000 0.535 83 L N 1.401 122.669 121.223 0.076 0.000 2.281 83 L HA 0.510 4.850 4.340 0.000 0.000 0.285 83 L C -0.304 176.600 176.870 0.058 0.000 1.074 83 L CA -0.353 54.528 54.840 0.067 0.000 0.817 83 L CB 1.610 43.702 42.059 0.054 0.000 1.168 83 L HN -0.138 nan 8.230 nan 0.000 0.434 84 V N 3.805 123.757 119.914 0.064 0.000 2.628 84 V HA 0.288 4.408 4.120 0.000 0.000 0.306 84 V C -0.395 175.737 176.094 0.063 0.000 1.045 84 V CA -1.058 61.282 62.300 0.065 0.000 0.905 84 V CB 1.892 33.763 31.823 0.079 0.000 0.997 84 V HN 0.717 nan 8.190 nan 0.000 0.436 85 D N 2.804 123.240 120.400 0.060 0.000 2.586 85 D HA 0.043 4.683 4.640 0.000 0.000 0.234 85 D C 1.039 177.391 176.300 0.086 0.000 1.132 85 D CA 0.843 54.880 54.000 0.063 0.000 0.860 85 D CB 1.567 42.403 40.800 0.060 0.000 1.159 85 D HN 0.671 nan 8.370 nan 0.000 0.490 86 A N 4.438 127.308 122.820 0.083 0.000 1.969 86 A HA 0.006 4.326 4.320 0.000 0.000 0.218 86 A C 2.161 179.844 177.584 0.165 0.000 1.169 86 A CA 1.579 53.683 52.037 0.111 0.000 0.635 86 A CB -0.655 18.390 19.000 0.074 0.000 0.810 86 A HN 0.712 nan 8.150 nan 0.000 0.445 87 A N -0.228 122.690 122.820 0.163 0.000 2.139 87 A HA -0.164 4.156 4.320 0.000 0.000 0.221 87 A C 1.675 179.376 177.584 0.196 0.000 1.159 87 A CA 1.685 53.846 52.037 0.206 0.000 0.662 87 A CB -0.432 18.663 19.000 0.159 0.000 0.796 87 A HN 0.813 nan 8.150 nan 0.000 0.463 88 Q N -1.846 118.051 119.800 0.160 0.000 2.023 88 Q HA 0.587 4.928 4.340 0.000 0.000 0.221 88 Q C 0.037 176.123 176.000 0.145 0.000 0.806 88 Q CA 0.078 55.971 55.803 0.150 0.000 1.052 88 Q CB -0.142 28.665 28.738 0.115 0.000 1.229 88 Q HN 0.372 nan 8.270 nan 0.000 0.440 89 A N 1.817 124.734 122.820 0.161 0.000 2.488 89 A HA 0.324 4.644 4.320 0.000 0.000 0.249 89 A C 0.101 177.794 177.584 0.182 0.000 1.083 89 A CA -0.250 51.885 52.037 0.164 0.000 0.768 89 A CB 0.302 19.409 19.000 0.179 0.000 1.017 89 A HN 0.355 nan 8.150 nan 0.000 0.496 90 R N 2.608 123.203 120.500 0.158 0.000 2.679 90 R HA 0.173 4.513 4.340 0.000 0.000 0.269 90 R C -1.748 174.679 176.300 0.212 0.000 1.076 90 R CA -1.344 54.850 56.100 0.157 0.000 1.160 90 R CB 0.016 30.380 30.300 0.106 0.000 1.054 90 R HN 0.463 nan 8.270 nan 0.000 0.507 91 P HA -0.133 nan 4.420 nan 0.000 0.220 91 P C 0.721 178.215 177.300 0.324 0.000 1.148 91 P CA 1.233 64.521 63.100 0.313 0.000 0.803 91 P CB 0.211 32.119 31.700 0.346 0.000 0.782 92 S N -2.729 113.096 115.700 0.209 0.000 2.605 92 S HA 0.083 4.553 4.470 0.000 0.000 0.217 92 S C 0.608 175.289 174.600 0.135 0.000 0.958 92 S CA -0.300 57.984 58.200 0.140 0.000 0.919 92 S CB -0.658 62.594 63.200 0.086 0.000 0.780 92 S HN -0.026 nan 8.310 nan 0.000 0.507 93 D N 2.605 123.112 120.400 0.178 0.000 2.348 93 D HA 0.320 4.960 4.640 0.000 0.000 0.249 93 D C -0.446 175.972 176.300 0.197 0.000 1.110 93 D CA -0.202 53.896 54.000 0.164 0.000 0.967 93 D CB 0.571 41.464 40.800 0.156 0.000 1.139 93 D HN 0.148 nan 8.370 nan 0.000 0.466 94 N N -0.012 118.788 118.700 0.166 0.000 2.426 94 N HA 0.357 5.097 4.740 0.000 0.000 0.275 94 N C -0.473 175.095 175.510 0.096 0.000 1.019 94 N CA -0.317 52.821 53.050 0.148 0.000 0.941 94 N CB 0.844 39.440 38.487 0.182 0.000 1.123 94 N HN 0.396 nan 8.380 nan 0.000 0.486 95 C N -0.887 118.449 119.300 0.060 0.000 3.170 95 C HA 0.555 5.016 4.460 0.000 0.000 0.319 95 C C -0.427 174.526 174.990 -0.062 0.000 1.260 95 C CA -1.023 58.008 59.018 0.022 0.000 1.374 95 C CB 0.378 28.159 27.740 0.067 0.000 1.739 95 C HN 0.363 nan 8.230 nan 0.000 0.479 96 V N 3.042 122.925 119.914 -0.052 0.000 2.427 96 V HA 0.190 4.310 4.120 0.000 0.000 0.268 96 V C 0.736 176.782 176.094 -0.080 0.000 1.046 96 V CA 0.251 62.517 62.300 -0.057 0.000 0.970 96 V CB 0.490 32.304 31.823 -0.014 0.000 1.001 96 V HN 0.901 nan 8.190 nan 0.000 0.476 97 F N 4.143 123.883 119.950 -0.351 0.000 2.234 97 F HA 0.106 4.633 4.527 0.000 0.000 0.296 97 F C 1.186 176.930 175.800 -0.093 0.000 1.089 97 F CA 0.807 58.543 58.000 -0.440 0.000 1.343 97 F CB 0.397 38.837 39.000 -0.934 0.000 1.040 97 F HN 0.596 nan 8.300 nan 0.000 0.498 98 S N -0.739 114.909 115.700 -0.086 0.000 2.547 98 S HA 0.672 5.142 4.470 0.000 0.000 0.270 98 S C -1.501 173.130 174.600 0.052 0.000 1.150 98 S CA -0.826 57.329 58.200 -0.074 0.000 0.850 98 S CB 1.735 64.937 63.200 0.003 0.000 1.118 98 S HN -0.047 nan 8.310 nan 0.000 0.461 99 V N 2.067 121.999 119.914 0.030 0.000 2.525 99 V HA 0.788 4.908 4.120 0.000 0.000 0.299 99 V C -0.392 175.730 176.094 0.048 0.000 1.034 99 V CA -0.413 61.919 62.300 0.054 0.000 0.863 99 V CB 1.089 32.926 31.823 0.024 0.000 0.999 99 V HN 1.144 nan 8.190 nan 0.000 0.423 100 E N 4.100 124.352 120.200 0.088 0.000 2.460 100 E HA 0.663 5.013 4.350 0.000 0.000 0.277 100 E C -1.279 175.384 176.600 0.104 0.000 1.010 100 E CA -1.217 55.241 56.400 0.095 0.000 0.838 100 E CB 2.005 31.782 29.700 0.128 0.000 1.448 100 E HN 0.400 nan 8.360 nan 0.000 0.462 101 L N 1.565 122.856 121.223 0.112 0.000 2.455 101 L HA 0.162 4.502 4.340 0.000 0.000 0.272 101 L C -0.274 176.665 176.870 0.115 0.000 1.174 101 L CA 0.341 55.235 54.840 0.091 0.000 0.869 101 L CB 0.726 42.838 42.059 0.088 0.000 1.130 101 L HN 0.619 nan 8.230 nan 0.000 0.474 102 Q N 4.590 124.445 119.800 0.091 0.000 2.314 102 Q HA 0.367 4.707 4.340 0.000 0.000 0.257 102 Q C -1.132 174.915 176.000 0.078 0.000 0.975 102 Q CA 0.043 55.910 55.803 0.106 0.000 0.933 102 Q CB 0.473 29.272 28.738 0.102 0.000 1.195 102 Q HN 0.722 nan 8.270 nan 0.000 0.426 103 L N 7.194 128.482 121.223 0.108 0.000 2.499 103 L HA 0.247 4.587 4.340 0.000 0.000 0.273 103 L C -1.645 175.271 176.870 0.076 0.000 1.195 103 L CA -1.555 53.336 54.840 0.085 0.000 0.882 103 L CB 0.009 42.166 42.059 0.163 0.000 1.133 103 L HN 0.636 nan 8.230 nan 0.000 0.483 104 P HA 0.148 nan 4.420 nan 0.000 0.272 104 P C -2.501 174.854 177.300 0.093 0.000 1.223 104 P CA -1.301 61.806 63.100 0.012 0.000 0.784 104 P CB -0.302 31.338 31.700 -0.100 0.000 0.923 105 P HA 0.003 nan 4.420 nan 0.000 0.265 105 P C 0.895 178.245 177.300 0.082 0.000 1.193 105 P CA 0.117 63.259 63.100 0.069 0.000 0.765 105 P CB 0.876 32.596 31.700 0.034 0.000 0.823 106 K N 2.965 123.391 120.400 0.043 0.000 2.025 106 K HA -0.157 4.163 4.320 0.000 0.000 0.207 106 K C 1.951 178.525 176.600 -0.044 0.000 1.049 106 K CA 1.540 57.788 56.287 -0.065 0.000 0.933 106 K CB -0.607 31.688 32.500 -0.342 0.000 0.714 106 K HN 0.430 nan 8.250 nan 0.000 0.438 107 A N 1.113 123.910 122.820 -0.038 0.000 1.892 107 A HA -0.201 4.119 4.320 0.000 0.000 0.218 107 A C 2.345 179.942 177.584 0.021 0.000 1.188 107 A CA 2.318 54.345 52.037 -0.016 0.000 0.631 107 A CB -0.994 17.997 19.000 -0.014 0.000 0.822 107 A HN 0.533 nan 8.150 nan 0.000 0.447 108 A N -0.790 122.048 122.820 0.030 0.000 1.970 108 A HA 0.333 4.653 4.320 0.000 0.000 0.216 108 A C 2.439 180.065 177.584 0.070 0.000 1.170 108 A CA 1.625 53.686 52.037 0.040 0.000 0.645 108 A CB -0.828 18.184 19.000 0.019 0.000 0.816 108 A HN 1.016 nan 8.150 nan 0.000 0.447 109 A N 0.195 123.070 122.820 0.092 0.000 1.877 109 A HA -0.073 4.247 4.320 0.000 0.000 0.216 109 A C 2.112 179.828 177.584 0.219 0.000 1.186 109 A CA 1.500 53.625 52.037 0.147 0.000 0.620 109 A CB -0.663 18.502 19.000 0.275 0.000 0.822 109 A HN 0.456 nan 8.150 nan 0.000 0.443 110 L N -0.839 120.504 121.223 0.199 0.000 2.131 110 L HA -0.210 4.130 4.340 0.000 0.000 0.210 110 L C 3.077 180.014 176.870 0.112 0.000 1.092 110 L CA 0.960 55.899 54.840 0.165 0.000 0.759 110 L CB -0.599 41.517 42.059 0.094 0.000 0.903 110 L HN 0.482 nan 8.230 nan 0.000 0.435 111 A N -0.329 122.548 122.820 0.094 0.000 1.877 111 A HA -0.295 4.025 4.320 0.000 0.000 0.216 111 A C 2.121 179.754 177.584 0.081 0.000 1.186 111 A CA 1.939 54.019 52.037 0.072 0.000 0.620 111 A CB -0.801 18.235 19.000 0.060 0.000 0.822 111 A HN 0.522 nan 8.150 nan 0.000 0.443 112 H N -0.262 118.822 119.070 0.024 0.000 2.353 112 H HA 0.032 4.588 4.556 0.000 0.000 0.300 112 H C 1.658 177.003 175.328 0.027 0.000 1.090 112 H CA 1.923 57.978 56.048 0.011 0.000 1.327 112 H CB -0.220 29.533 29.762 -0.015 0.000 1.383 112 H HN 0.357 nan 8.280 nan 0.000 0.508 113 L N -0.399 120.828 121.223 0.008 0.000 2.179 113 L HA -0.054 4.286 4.340 0.000 0.000 0.208 113 L C 1.399 178.255 176.870 -0.024 0.000 1.096 113 L CA 1.108 55.939 54.840 -0.015 0.000 0.779 113 L CB 0.010 42.162 42.059 0.154 0.000 0.922 113 L HN 0.318 nan 8.230 nan 0.000 0.443 114 D N -1.026 119.378 120.400 0.005 0.000 2.463 114 D HA 0.022 4.662 4.640 0.000 0.000 0.237 114 D C 1.986 178.281 176.300 -0.010 0.000 1.013 114 D CA 0.542 54.549 54.000 0.013 0.000 0.910 114 D CB 0.371 41.198 40.800 0.044 0.000 1.080 114 D HN 0.012 nan 8.370 nan 0.000 0.498 115 R N -0.474 120.017 120.500 -0.014 0.000 2.335 115 R HA 0.327 4.667 4.340 0.000 0.000 0.210 115 R C 0.992 177.271 176.300 -0.035 0.000 0.892 115 R CA 0.653 56.744 56.100 -0.015 0.000 1.048 115 R CB 0.886 31.188 30.300 0.004 0.000 1.067 115 R HN 0.120 nan 8.270 nan 0.000 0.524 116 G N 0.543 109.295 108.800 -0.080 0.000 2.149 116 G HA2 -0.277 3.684 3.960 0.000 0.000 0.235 116 G HA3 -0.277 3.684 3.960 0.000 0.000 0.235 116 G C -0.052 174.837 174.900 -0.017 0.000 1.018 116 G CA 0.301 45.335 45.100 -0.110 0.000 0.728 116 G HN 0.272 nan 8.290 nan 0.000 0.508 117 S N 0.973 116.692 115.700 0.032 0.000 2.589 117 S HA 0.454 4.924 4.470 0.000 0.000 0.265 117 S C -1.638 173.069 174.600 0.177 0.000 1.342 117 S CA -0.494 57.755 58.200 0.082 0.000 1.005 117 S CB 0.765 64.006 63.200 0.069 0.000 0.909 117 S HN 0.290 nan 8.310 nan 0.000 0.555 118 P HA 0.210 nan 4.420 nan 0.000 0.267 118 P C -2.456 174.856 177.300 0.019 0.000 1.200 118 P CA -0.942 62.206 63.100 0.081 0.000 0.772 118 P CB -0.466 31.250 31.700 0.025 0.000 0.855 119 P HA 0.134 nan 4.420 nan 0.000 0.269 119 P C -2.231 174.957 177.300 -0.187 0.000 1.215 119 P CA -1.027 61.831 63.100 -0.404 0.000 0.780 119 P CB -0.982 30.398 31.700 -0.534 0.000 0.898 120 P HA 0.147 nan 4.420 nan 0.000 0.275 120 P C -0.646 176.590 177.300 -0.105 0.000 1.227 120 P CA -0.302 62.741 63.100 -0.095 0.000 0.781 120 P CB 0.446 32.102 31.700 -0.075 0.000 0.906 121 A N 4.457 127.246 122.820 -0.052 0.000 2.580 121 A HA -0.047 4.273 4.320 0.000 0.000 0.244 121 A C 0.752 178.300 177.584 -0.059 0.000 1.045 121 A CA 0.156 52.171 52.037 -0.037 0.000 0.761 121 A CB -0.442 18.583 19.000 0.041 0.000 0.962 121 A HN 0.417 nan 8.150 nan 0.000 0.512 122 R N 2.308 122.750 120.500 -0.097 0.000 2.421 122 R HA 0.156 4.496 4.340 0.000 0.000 0.305 122 R C -0.197 176.048 176.300 -0.091 0.000 1.039 122 R CA 0.505 56.539 56.100 -0.110 0.000 1.003 122 R CB 0.201 30.419 30.300 -0.135 0.000 0.959 122 R HN 0.853 nan 8.270 nan 0.000 0.427 123 E N 0.801 120.967 120.200 -0.058 0.000 2.336 123 E HA 0.597 4.947 4.350 0.000 0.000 0.267 123 E C -1.153 175.437 176.600 -0.015 0.000 0.906 123 E CA -0.948 55.431 56.400 -0.036 0.000 0.781 123 E CB 2.170 31.893 29.700 0.039 0.000 1.261 123 E HN 0.589 nan 8.360 nan 0.000 0.436 124 A N 1.457 124.273 122.820 -0.007 0.000 2.356 124 A HA 0.639 4.959 4.320 0.000 0.000 0.323 124 A C -1.415 176.219 177.584 0.084 0.000 1.119 124 A CA -0.618 51.438 52.037 0.031 0.000 0.790 124 A CB 0.892 19.897 19.000 0.008 0.000 1.273 124 A HN 0.450 nan 8.150 nan 0.000 0.452 125 L N 1.924 123.219 121.223 0.120 0.000 2.280 125 L HA 0.709 5.049 4.340 0.000 0.000 0.287 125 L C 0.226 177.202 176.870 0.177 0.000 1.023 125 L CA 0.097 55.036 54.840 0.165 0.000 0.819 125 L CB 1.138 43.318 42.059 0.201 0.000 1.212 125 L HN 0.811 nan 8.230 nan 0.000 0.420 126 A N 6.538 129.466 122.820 0.179 0.000 2.292 126 A HA 0.690 5.010 4.320 0.000 0.000 0.319 126 A C -0.533 177.187 177.584 0.226 0.000 1.206 126 A CA -0.479 51.664 52.037 0.177 0.000 0.835 126 A CB 0.299 19.388 19.000 0.148 0.000 1.164 126 A HN 0.699 nan 8.150 nan 0.000 0.505 127 I N 3.229 123.951 120.570 0.254 0.000 2.312 127 I HA 0.353 4.524 4.170 0.000 0.000 0.290 127 I C -0.705 175.551 176.117 0.231 0.000 1.008 127 I CA -0.561 60.941 61.300 0.336 0.000 1.226 127 I CB 1.593 39.892 38.000 0.497 0.000 1.371 127 I HN 0.289 nan 8.210 nan 0.000 0.468 128 V N 6.841 126.869 119.914 0.190 0.000 2.555 128 V HA 0.394 4.514 4.120 0.000 0.000 0.302 128 V C -0.292 175.900 176.094 0.163 0.000 1.038 128 V CA -0.566 61.718 62.300 -0.028 0.000 0.887 128 V CB 1.970 33.577 31.823 -0.359 0.000 0.991 128 V HN 0.442 nan 8.190 nan 0.000 0.434 129 F N 4.055 123.931 119.950 -0.124 0.000 2.335 129 F HA 0.431 4.958 4.527 0.000 0.000 0.365 129 F C 0.008 175.807 175.800 -0.002 0.000 1.122 129 F CA -0.515 57.514 58.000 0.049 0.000 1.151 129 F CB 0.647 39.717 39.000 0.116 0.000 1.282 129 F HN 0.436 nan 8.300 nan 0.000 0.513 130 F N 2.102 122.283 119.950 0.384 0.000 2.567 130 F HA 0.198 4.725 4.527 0.000 0.000 0.352 130 F C 1.375 177.151 175.800 -0.041 0.000 1.229 130 F CA -0.333 57.764 58.000 0.162 0.000 1.228 130 F CB 0.561 39.614 39.000 0.088 0.000 1.568 130 F HN 0.577 nan 8.300 nan 0.000 0.634 131 G N 0.977 109.869 108.800 0.154 0.000 2.603 131 G HA2 -0.134 3.826 3.960 0.000 0.000 0.214 131 G HA3 -0.134 3.826 3.960 0.000 0.000 0.214 131 G C 1.194 176.077 174.900 -0.028 0.000 1.140 131 G CA -0.167 44.877 45.100 -0.093 0.000 0.800 131 G HN 0.278 nan 8.290 nan 0.000 0.533 132 R N 1.331 121.880 120.500 0.082 0.000 4.390 132 R HA 0.306 4.646 4.340 0.000 0.000 0.229 132 R C 0.001 176.325 176.300 0.041 0.000 1.674 132 R CA -0.259 55.882 56.100 0.069 0.000 1.526 132 R CB -0.853 29.509 30.300 0.104 0.000 1.418 132 R HN 0.573 nan 8.270 nan 0.000 0.790 133 Q N -0.938 118.856 119.800 -0.010 0.000 2.647 133 Q HA 0.339 4.679 4.340 0.000 0.000 0.283 133 Q C -2.443 173.525 176.000 -0.053 0.000 0.943 133 Q CA -1.813 53.972 55.803 -0.030 0.000 0.813 133 Q CB 0.951 29.663 28.738 -0.044 0.000 1.477 133 Q HN -0.058 nan 8.270 nan 0.000 0.393 134 P HA -0.184 nan 4.420 nan 0.000 0.216 134 P C -0.319 176.947 177.300 -0.055 0.000 1.157 134 P CA 1.509 64.583 63.100 -0.042 0.000 0.880 134 P CB 0.229 31.908 31.700 -0.034 0.000 0.791 135 Q N -0.347 119.415 119.800 -0.065 0.000 2.506 135 Q HA 0.324 4.664 4.340 0.000 0.000 0.242 135 Q C -2.491 173.444 176.000 -0.108 0.000 1.060 135 Q CA -2.008 53.753 55.803 -0.070 0.000 0.826 135 Q CB 0.618 29.328 28.738 -0.047 0.000 1.169 135 Q HN 0.224 nan 8.270 nan 0.000 0.521 136 P HA 0.013 nan 4.420 nan 0.000 0.267 136 P C -0.418 176.745 177.300 -0.227 0.000 1.205 136 P CA 0.130 62.987 63.100 -0.404 0.000 0.765 136 P CB 0.561 31.707 31.700 -0.924 0.000 0.828 137 N N 1.350 120.035 118.700 -0.025 0.000 2.761 137 N HA 0.574 5.314 4.740 0.000 0.000 0.283 137 N C -1.660 174.065 175.510 0.359 0.000 1.377 137 N CA -1.118 52.035 53.050 0.171 0.000 0.791 137 N CB 1.205 39.751 38.487 0.099 0.000 1.540 137 N HN 0.162 nan 8.380 nan 0.000 0.539 138 V N -0.465 119.567 119.914 0.197 0.000 2.495 138 V HA 0.796 4.916 4.120 0.000 0.000 0.298 138 V C -1.108 175.097 176.094 0.185 0.000 1.031 138 V CA -0.224 62.192 62.300 0.194 0.000 0.871 138 V CB 1.136 32.950 31.823 -0.016 0.000 0.988 138 V HN 0.837 nan 8.190 nan 0.000 0.432 139 S N 4.657 120.552 115.700 0.326 0.000 2.532 139 S HA 0.621 5.091 4.470 0.000 0.000 0.301 139 S C -0.788 173.994 174.600 0.305 0.000 1.083 139 S CA -0.724 57.667 58.200 0.319 0.000 1.025 139 S CB 1.725 65.208 63.200 0.472 0.000 1.056 139 S HN 0.888 nan 8.310 nan 0.000 0.494 140 E N 1.391 121.760 120.200 0.281 0.000 2.175 140 E HA 0.514 4.864 4.350 0.000 0.000 0.278 140 E C -1.209 175.540 176.600 0.248 0.000 0.969 140 E CA -0.409 56.164 56.400 0.289 0.000 0.796 140 E CB 1.095 30.977 29.700 0.304 0.000 1.104 140 E HN 0.387 nan 8.360 nan 0.000 0.395 141 L N 2.989 124.355 121.223 0.239 0.000 2.376 141 L HA 0.415 4.755 4.340 0.000 0.000 0.275 141 L C -0.753 176.238 176.870 0.202 0.000 0.987 141 L CA -1.116 53.857 54.840 0.223 0.000 0.828 141 L CB 1.778 43.978 42.059 0.236 0.000 1.249 141 L HN 0.265 nan 8.230 nan 0.000 0.409 142 V N 4.390 124.424 119.914 0.200 0.000 2.432 142 V HA 0.276 4.396 4.120 0.000 0.000 0.271 142 V C 0.167 176.380 176.094 0.198 0.000 1.046 142 V CA -0.279 62.136 62.300 0.193 0.000 0.945 142 V CB 1.680 33.625 31.823 0.204 0.000 0.992 142 V HN 0.432 nan 8.190 nan 0.000 0.471 143 V N 4.554 124.522 119.914 0.090 0.000 2.555 143 V HA 1.003 5.123 4.120 0.000 0.000 0.302 143 V C 0.482 176.400 176.094 -0.294 0.000 1.038 143 V CA 0.216 62.478 62.300 -0.065 0.000 0.887 143 V CB 1.606 33.435 31.823 0.010 0.000 0.991 143 V HN 1.070 nan 8.190 nan 0.000 0.434 144 G N 5.251 113.581 108.800 -0.783 0.000 2.495 144 G HA2 0.653 4.613 3.960 0.000 0.000 0.294 144 G HA3 0.653 4.613 3.960 0.000 0.000 0.294 144 G C -3.537 170.622 174.900 -1.234 0.000 1.397 144 G CA -0.786 43.803 45.100 -0.851 0.000 0.790 144 G HN 0.494 nan 8.290 nan 0.000 0.486 145 P HA 0.620 nan 4.420 nan 0.000 0.281 145 P C -0.482 176.656 177.300 -0.271 0.000 1.281 145 P CA -0.700 62.217 63.100 -0.305 0.000 0.811 145 P CB 1.253 32.884 31.700 -0.115 0.000 1.154 146 L N 1.206 122.305 121.223 -0.206 0.000 2.331 146 L HA 0.415 4.755 4.340 0.000 0.000 0.275 146 L C -1.190 175.558 176.870 -0.203 0.000 1.022 146 L CA -1.627 53.083 54.840 -0.217 0.000 0.812 146 L CB 1.615 43.558 42.059 -0.192 0.000 1.257 146 L HN 0.327 nan 8.230 nan 0.000 0.435 147 P HA 0.080 nan 4.420 nan 0.000 0.251 147 P C -0.322 176.618 177.300 -0.601 0.000 1.223 147 P CA 0.455 63.291 63.100 -0.440 0.000 0.796 147 P CB 0.268 31.652 31.700 -0.527 0.000 1.068 148 H N 0.641 119.635 119.070 -0.127 0.000 2.786 148 H HA 0.380 4.936 4.556 0.000 0.000 0.284 148 H C -2.427 172.768 175.328 -0.223 0.000 1.104 148 H CA -2.115 53.852 56.048 -0.135 0.000 1.339 148 H CB 0.651 30.364 29.762 -0.083 0.000 1.427 148 H HN 0.016 nan 8.280 nan 0.000 0.497 149 P HA -0.026 nan 4.420 nan 0.000 0.269 149 P C 0.499 177.372 177.300 -0.712 0.000 1.209 149 P CA 0.093 62.811 63.100 -0.638 0.000 0.776 149 P CB 1.351 32.512 31.700 -0.898 0.000 0.876 150 S N 1.295 116.552 115.700 -0.738 0.000 2.648 150 S HA 0.154 4.624 4.470 0.000 0.000 0.270 150 S C -0.268 174.316 174.600 -0.027 0.000 1.082 150 S CA -0.254 57.787 58.200 -0.266 0.000 1.116 150 S CB -0.148 63.019 63.200 -0.055 0.000 1.040 150 S HN 0.435 nan 8.310 nan 0.000 0.572 151 Y N -0.009 120.215 120.300 -0.127 0.000 2.638 151 Y HA 0.845 5.395 4.550 0.000 0.000 0.339 151 Y C -0.813 175.189 175.900 0.171 0.000 1.084 151 Y CA -1.584 56.575 58.100 0.099 0.000 1.068 151 Y CB 1.243 39.735 38.460 0.052 0.000 1.294 151 Y HN 0.162 nan 8.280 nan 0.000 0.480 152 M N 2.763 122.664 119.600 0.501 0.000 2.284 152 M HA 0.488 4.968 4.480 0.000 0.000 0.281 152 M C -2.126 174.362 176.300 0.314 0.000 1.083 152 M CA -0.490 55.053 55.300 0.404 0.000 0.965 152 M CB 2.084 34.930 32.600 0.410 0.000 1.717 152 M HN 0.980 nan 8.290 nan 0.000 0.479 153 R N 2.778 123.444 120.500 0.276 0.000 2.513 153 R HA 0.285 4.625 4.340 0.000 0.000 0.301 153 R C -1.438 174.964 176.300 0.170 0.000 0.968 153 R CA -0.540 55.672 56.100 0.187 0.000 0.872 153 R CB 1.419 31.808 30.300 0.149 0.000 1.177 153 R HN 0.710 nan 8.270 nan 0.000 0.444 154 D N 4.268 124.753 120.400 0.141 0.000 2.359 154 D HA 0.024 4.664 4.640 0.000 0.000 0.250 154 D C 1.013 177.379 176.300 0.111 0.000 1.264 154 D CA -0.021 54.063 54.000 0.140 0.000 0.911 154 D CB 1.218 42.089 40.800 0.119 0.000 1.056 154 D HN 0.398 nan 8.370 nan 0.000 0.499 155 V N 1.449 121.435 119.914 0.121 0.000 3.596 155 V HA 0.047 4.167 4.120 0.000 0.000 0.289 155 V C 1.681 177.814 176.094 0.064 0.000 1.336 155 V CA 0.201 62.551 62.300 0.083 0.000 1.137 155 V CB -0.314 31.559 31.823 0.084 0.000 0.966 155 V HN 0.326 nan 8.190 nan 0.000 0.428 156 T N 1.471 116.091 114.554 0.111 0.000 2.622 156 T HA -0.184 4.166 4.350 0.000 0.000 0.266 156 T C 1.956 176.713 174.700 0.095 0.000 1.047 156 T CA 2.232 64.421 62.100 0.148 0.000 1.159 156 T CB -0.371 68.597 68.868 0.165 0.000 0.863 156 T HN 0.389 nan 8.240 nan 0.000 0.422 157 V N 1.305 121.262 119.914 0.071 0.000 2.255 157 V HA -0.210 3.910 4.120 0.000 0.000 0.247 157 V C 2.551 178.658 176.094 0.021 0.000 1.051 157 V CA 1.990 64.321 62.300 0.052 0.000 1.018 157 V CB -0.717 31.129 31.823 0.038 0.000 0.641 157 V HN 0.530 nan 8.190 nan 0.000 0.445 158 E N 0.029 120.232 120.200 0.006 0.000 2.095 158 E HA -0.322 4.028 4.350 0.000 0.000 0.212 158 E C 2.417 178.978 176.600 -0.064 0.000 1.044 158 E CA 2.210 58.600 56.400 -0.017 0.000 0.857 158 E CB -0.109 29.587 29.700 -0.008 0.000 0.764 158 E HN 0.523 nan 8.360 nan 0.000 0.462 159 R N -1.524 118.879 120.500 -0.162 0.000 2.193 159 R HA -0.007 4.333 4.340 0.000 0.000 0.213 159 R C 1.388 177.440 176.300 -0.414 0.000 1.055 159 R CA 0.943 56.824 56.100 -0.364 0.000 0.995 159 R CB 0.163 30.076 30.300 -0.645 0.000 0.893 159 R HN 0.320 nan 8.270 nan 0.000 0.459 160 H N -2.082 117.018 119.070 0.050 0.000 3.233 160 H HA 0.262 4.818 4.556 0.000 0.000 0.263 160 H C 1.175 176.516 175.328 0.023 0.000 1.168 160 H CA 0.563 56.632 56.048 0.036 0.000 1.159 160 H CB 1.571 31.340 29.762 0.012 0.000 1.593 160 H HN 0.377 nan 8.280 nan 0.000 0.580 161 G N 0.514 109.372 108.800 0.097 0.000 2.234 161 G HA2 -0.200 3.760 3.960 0.000 0.000 0.260 161 G HA3 -0.200 3.760 3.960 0.000 0.000 0.260 161 G C 0.692 175.624 174.900 0.054 0.000 0.987 161 G CA 0.458 45.596 45.100 0.064 0.000 0.625 161 G HN 0.909 nan 8.290 nan 0.000 0.532 162 G N -0.949 107.892 108.800 0.068 0.000 2.341 162 G HA2 0.687 4.647 3.960 0.000 0.000 0.299 162 G HA3 0.687 4.647 3.960 0.000 0.000 0.299 162 G C -3.152 171.777 174.900 0.048 0.000 1.274 162 G CA 0.256 45.383 45.100 0.045 0.000 0.853 162 G HN 0.536 nan 8.290 nan 0.000 0.493 163 P HA 0.411 nan 4.420 nan 0.000 0.274 163 P C -0.402 176.873 177.300 -0.042 0.000 1.237 163 P CA -0.324 62.782 63.100 0.009 0.000 0.793 163 P CB 1.110 32.812 31.700 0.003 0.000 0.977 164 L N 3.221 124.384 121.223 -0.099 0.000 2.278 164 L HA 0.284 4.624 4.340 0.000 0.000 0.287 164 L C -1.980 174.766 176.870 -0.207 0.000 1.072 164 L CA -1.952 52.735 54.840 -0.255 0.000 0.819 164 L CB 0.544 42.311 42.059 -0.487 0.000 1.176 164 L HN 0.208 nan 8.230 nan 0.000 0.435 165 P HA -0.037 nan 4.420 nan 0.000 0.271 165 P C -0.003 177.115 177.300 -0.302 0.000 1.218 165 P CA -0.168 62.823 63.100 -0.182 0.000 0.780 165 P CB 0.526 32.141 31.700 -0.141 0.000 0.901 166 Y N 2.826 122.974 120.300 -0.254 0.000 2.224 166 Y HA -0.250 4.300 4.550 0.000 0.000 0.289 166 Y C 2.371 178.095 175.900 -0.294 0.000 1.146 166 Y CA 1.824 59.774 58.100 -0.250 0.000 1.182 166 Y CB -0.733 37.662 38.460 -0.108 0.000 0.983 166 Y HN 0.515 nan 8.280 nan 0.000 0.524 167 H N -1.179 117.839 119.070 -0.088 0.000 2.560 167 H HA -0.029 4.527 4.556 0.000 0.000 0.283 167 H C 1.597 176.824 175.328 -0.168 0.000 1.028 167 H CA 1.058 57.021 56.048 -0.142 0.000 1.221 167 H CB -0.336 29.387 29.762 -0.064 0.000 1.363 167 H HN 0.355 nan 8.280 nan 0.000 0.594 168 R N 1.123 121.287 120.500 -0.560 0.000 2.200 168 R HA 0.013 4.353 4.340 0.000 0.000 0.208 168 R C 0.424 176.588 176.300 -0.228 0.000 1.033 168 R CA 0.065 55.971 56.100 -0.325 0.000 1.000 168 R CB 0.130 30.214 30.300 -0.360 0.000 0.906 168 R HN 0.353 nan 8.270 nan 0.000 0.462 169 R N 1.872 122.086 120.500 -0.476 0.000 2.538 169 R HA 0.095 4.435 4.340 0.000 0.000 0.282 169 R C -2.580 173.454 176.300 -0.444 0.000 1.009 169 R CA -1.573 54.144 56.100 -0.638 0.000 1.063 169 R CB -0.901 28.424 30.300 -1.626 0.000 0.945 169 R HN -0.185 nan 8.270 nan 0.000 0.414 170 P HA -0.101 nan 4.420 nan 0.000 0.269 170 P C -0.552 176.636 177.300 -0.186 0.000 1.211 170 P CA -0.161 62.779 63.100 -0.266 0.000 0.781 170 P CB 0.361 31.893 31.700 -0.280 0.000 0.877 171 V N 3.596 123.442 119.914 -0.113 0.000 2.508 171 V HA 0.040 4.160 4.120 0.000 0.000 0.281 171 V C 0.827 176.854 176.094 -0.113 0.000 1.041 171 V CA 0.022 62.218 62.300 -0.173 0.000 1.016 171 V CB -0.158 31.421 31.823 -0.407 0.000 0.984 171 V HN 0.332 nan 8.190 nan 0.000 0.478 172 L N 4.404 125.625 121.223 -0.004 0.000 2.464 172 L HA 0.271 4.611 4.340 0.000 0.000 0.264 172 L C 1.257 178.243 176.870 0.193 0.000 1.199 172 L CA 0.036 54.954 54.840 0.130 0.000 0.818 172 L CB 0.284 42.483 42.059 0.233 0.000 1.102 172 L HN 0.556 nan 8.230 nan 0.000 0.473 173 F N 0.060 120.250 119.950 0.400 0.000 2.126 173 F HA -0.299 4.228 4.527 0.000 0.000 0.299 173 F C 2.520 178.528 175.800 0.346 0.000 1.096 173 F CA 1.182 59.449 58.000 0.445 0.000 1.255 173 F CB -0.084 39.117 39.000 0.335 0.000 0.997 173 F HN 0.611 nan 8.300 nan 0.000 0.479 174 Q N 0.994 121.067 119.800 0.455 0.000 2.124 174 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 174 Q C 1.890 178.072 176.000 0.304 0.000 0.977 174 Q CA 1.817 57.816 55.803 0.327 0.000 0.850 174 Q CB -0.406 28.491 28.738 0.265 0.000 0.901 174 Q HN 0.505 nan 8.270 nan 0.000 0.429 175 E N -1.363 119.000 120.200 0.271 0.000 2.110 175 E HA -0.203 4.147 4.350 0.000 0.000 0.193 175 E C 1.592 178.315 176.600 0.206 0.000 0.988 175 E CA 1.056 57.604 56.400 0.246 0.000 0.804 175 E CB -0.206 29.568 29.700 0.123 0.000 0.745 175 E HN 0.601 nan 8.360 nan 0.000 0.458 176 Y N 0.511 120.985 120.300 0.290 0.000 2.224 176 Y HA -0.198 4.352 4.550 0.000 0.000 0.289 176 Y C 2.321 178.346 175.900 0.209 0.000 1.146 176 Y CA 0.713 58.966 58.100 0.256 0.000 1.182 176 Y CB 0.016 38.691 38.460 0.360 0.000 0.983 176 Y HN 0.089 nan 8.280 nan 0.000 0.524 177 L N -0.190 121.263 121.223 0.383 0.000 2.017 177 L HA -0.270 4.070 4.340 0.000 0.000 0.208 177 L C 1.854 178.867 176.870 0.238 0.000 1.073 177 L CA 1.448 56.448 54.840 0.267 0.000 0.745 177 L CB -0.556 41.639 42.059 0.227 0.000 0.894 177 L HN 0.279 nan 8.230 nan 0.000 0.432 178 D N 0.061 120.624 120.400 0.272 0.000 2.178 178 D HA -0.162 4.478 4.640 0.000 0.000 0.201 178 D C 2.199 178.729 176.300 0.384 0.000 0.980 178 D CA 1.188 55.352 54.000 0.273 0.000 0.842 178 D CB -0.033 40.929 40.800 0.271 0.000 0.948 178 D HN 0.371 nan 8.370 nan 0.000 0.472 179 I N 0.916 121.709 120.570 0.372 0.000 2.252 179 I HA -0.214 3.956 4.170 0.000 0.000 0.245 179 I C 1.760 177.906 176.117 0.048 0.000 1.102 179 I CA 0.950 62.350 61.300 0.167 0.000 1.385 179 I CB -0.011 37.888 38.000 -0.169 0.000 1.064 179 I HN -0.179 nan 8.210 nan 0.000 0.414 180 D N 0.380 120.851 120.400 0.118 0.000 2.178 180 D HA -0.161 4.479 4.640 0.000 0.000 0.202 180 D C 2.219 178.711 176.300 0.320 0.000 0.974 180 D CA 0.974 55.121 54.000 0.246 0.000 0.841 180 D CB -0.100 40.890 40.800 0.317 0.000 0.953 180 D HN 0.368 nan 8.370 nan 0.000 0.478 181 Q N -0.252 119.678 119.800 0.217 0.000 2.046 181 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 181 Q C 2.192 178.278 176.000 0.144 0.000 0.975 181 Q CA 0.851 56.760 55.803 0.176 0.000 0.836 181 Q CB -0.087 28.723 28.738 0.121 0.000 0.896 181 Q HN 0.291 nan 8.270 nan 0.000 0.428 182 M N 0.368 120.047 119.600 0.132 0.000 2.080 182 M HA -0.222 4.259 4.480 0.000 0.000 0.260 182 M C 1.910 178.226 176.300 0.027 0.000 1.068 182 M CA 1.611 56.973 55.300 0.103 0.000 1.109 182 M CB -0.074 32.641 32.600 0.192 0.000 1.342 182 M HN 0.222 nan 8.290 nan 0.000 0.405 183 I N -0.325 120.211 120.570 -0.057 0.000 2.113 183 I HA -0.308 3.863 4.170 0.000 0.000 0.238 183 I C 1.951 177.889 176.117 -0.298 0.000 1.070 183 I CA 1.610 62.745 61.300 -0.274 0.000 1.332 183 I CB -0.410 37.261 38.000 -0.549 0.000 1.044 183 I HN 0.221 nan 8.210 nan 0.000 0.402 184 F N 0.447 120.407 119.950 0.018 0.000 2.293 184 F HA -0.041 4.486 4.527 0.000 0.000 0.297 184 F C 2.139 177.973 175.800 0.057 0.000 1.089 184 F CA 1.109 59.136 58.000 0.045 0.000 1.377 184 F CB -0.548 38.470 39.000 0.030 0.000 1.051 184 F HN 0.077 nan 8.300 nan 0.000 0.511 185 N N -0.374 118.442 118.700 0.194 0.000 2.305 185 N HA 0.021 4.761 4.740 0.000 0.000 0.179 185 N C 1.716 177.279 175.510 0.087 0.000 1.019 185 N CA 0.460 53.588 53.050 0.130 0.000 0.869 185 N CB 0.074 38.622 38.487 0.102 0.000 1.000 185 N HN 0.145 nan 8.380 nan 0.000 0.431 186 R N 0.206 120.742 120.500 0.060 0.000 2.146 186 R HA 0.152 4.492 4.340 0.000 0.000 0.206 186 R C 1.327 177.636 176.300 0.014 0.000 1.049 186 R CA 0.584 56.707 56.100 0.038 0.000 1.029 186 R CB 0.276 30.597 30.300 0.036 0.000 0.949 186 R HN 0.183 nan 8.270 nan 0.000 0.471 187 E N 1.143 121.335 120.200 -0.014 0.000 2.057 187 E HA 0.027 4.377 4.350 0.000 0.000 0.191 187 E C 2.195 178.741 176.600 -0.091 0.000 0.959 187 E CA 0.496 56.863 56.400 -0.055 0.000 0.828 187 E CB -0.247 29.406 29.700 -0.079 0.000 0.800 187 E HN 0.141 nan 8.360 nan 0.000 0.460 188 L N 1.305 122.451 121.223 -0.127 0.000 2.081 188 L HA -0.150 4.190 4.340 0.000 0.000 0.212 188 L C -0.540 176.230 176.870 -0.167 0.000 1.080 188 L CA 1.296 56.025 54.840 -0.186 0.000 0.754 188 L CB -1.642 40.306 42.059 -0.184 0.000 0.893 188 L HN 0.103 nan 8.230 nan 0.000 0.433 189 P HA -0.198 nan 4.420 nan 0.000 0.221 189 P C 1.388 178.678 177.300 -0.016 0.000 1.145 189 P CA 1.199 64.338 63.100 0.065 0.000 0.795 189 P CB -0.024 31.749 31.700 0.122 0.000 0.775 190 Q N -1.023 118.744 119.800 -0.055 0.000 2.224 190 Q HA -0.015 4.325 4.340 0.000 0.000 0.203 190 Q C 1.442 177.375 176.000 -0.112 0.000 0.970 190 Q CA 1.261 57.026 55.803 -0.064 0.000 0.865 190 Q CB -0.299 28.405 28.738 -0.058 0.000 0.922 190 Q HN 0.187 nan 8.270 nan 0.000 0.445 191 A N -0.157 122.545 122.820 -0.197 0.000 2.610 191 A HA 0.177 4.497 4.320 0.000 0.000 0.286 191 A C 1.518 178.908 177.584 -0.323 0.000 1.306 191 A CA -0.094 51.778 52.037 -0.275 0.000 0.942 191 A CB 0.142 18.916 19.000 -0.377 0.000 1.112 191 A HN 0.151 nan 8.150 nan 0.000 0.527 192 S N 0.310 115.884 115.700 -0.209 0.000 2.372 192 S HA -0.197 4.273 4.470 0.000 0.000 0.227 192 S C 2.075 176.706 174.600 0.052 0.000 1.044 192 S CA 2.449 60.593 58.200 -0.094 0.000 1.050 192 S CB -0.362 62.923 63.200 0.142 0.000 0.901 192 S HN 0.788 nan 8.310 nan 0.000 0.447 193 G N 1.093 109.901 108.800 0.013 0.000 2.418 193 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 193 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 193 G C 1.403 176.206 174.900 -0.161 0.000 1.158 193 G CA 1.086 46.224 45.100 0.064 0.000 0.771 193 G HN 0.527 nan 8.290 nan 0.000 0.545 194 L N 0.358 121.252 121.223 -0.549 0.000 2.027 194 L HA 0.130 4.470 4.340 0.000 0.000 0.206 194 L C 2.706 179.213 176.870 -0.605 0.000 1.074 194 L CA 1.387 55.563 54.840 -1.106 0.000 0.745 194 L CB -0.406 41.005 42.059 -1.080 0.000 0.898 194 L HN 0.196 nan 8.230 nan 0.000 0.433 195 L N -1.064 119.866 121.223 -0.488 0.000 2.083 195 L HA -0.255 4.085 4.340 0.000 0.000 0.209 195 L C 2.514 179.291 176.870 -0.156 0.000 1.083 195 L CA 1.419 56.023 54.840 -0.392 0.000 0.752 195 L CB -0.848 40.776 42.059 -0.725 0.000 0.899 195 L HN 0.392 nan 8.230 nan 0.000 0.433 196 H N -1.912 117.118 119.070 -0.068 0.000 2.387 196 H HA -0.242 4.314 4.556 0.000 0.000 0.299 196 H C 2.268 177.563 175.328 -0.054 0.000 1.099 196 H CA 2.072 58.145 56.048 0.043 0.000 1.315 196 H CB 0.038 29.849 29.762 0.083 0.000 1.380 196 H HN 0.369 nan 8.280 nan 0.000 0.513 197 H N -1.002 118.021 119.070 -0.078 0.000 2.415 197 H HA -0.042 4.514 4.556 0.000 0.000 0.297 197 H C 2.194 177.404 175.328 -0.197 0.000 1.048 197 H CA 1.478 57.461 56.048 -0.109 0.000 1.365 197 H CB 0.022 29.744 29.762 -0.067 0.000 1.421 197 H HN 0.534 nan 8.280 nan 0.000 0.533 198 C N -2.006 117.213 119.300 -0.135 0.000 2.611 198 C HA 0.323 4.783 4.460 0.000 0.000 0.282 198 C C 1.667 176.578 174.990 -0.133 0.000 1.321 198 C CA 0.055 59.004 59.018 -0.116 0.000 1.747 198 C CB -0.662 27.067 27.740 -0.018 0.000 2.124 198 C HN 0.613 nan 8.230 nan 0.000 0.531 199 C N -0.849 118.384 119.300 -0.111 0.000 3.486 199 C HA 0.484 4.944 4.460 0.000 0.000 0.264 199 C C 0.354 175.592 174.990 0.414 0.000 1.756 199 C CA -0.560 58.594 59.018 0.227 0.000 1.764 199 C CB -2.126 25.674 27.740 0.100 0.000 3.238 199 C HN 0.588 nan 8.230 nan 0.000 0.524 200 F N -0.965 119.071 119.950 0.144 0.000 3.100 200 F HA -0.254 4.273 4.527 0.000 0.000 0.283 200 F C 0.530 176.365 175.800 0.058 0.000 0.900 200 F CA 0.524 58.573 58.000 0.082 0.000 1.010 200 F CB -2.408 36.614 39.000 0.037 0.000 1.029 200 F HN 0.544 nan 8.300 nan 0.000 0.637 201 Y N 1.809 122.084 120.300 -0.041 0.000 2.511 201 Y HA 0.455 5.005 4.550 0.000 0.000 0.332 201 Y C 0.456 176.146 175.900 -0.349 0.000 1.177 201 Y CA -0.287 57.711 58.100 -0.170 0.000 1.422 201 Y CB 0.548 38.856 38.460 -0.253 0.000 1.271 201 Y HN 0.078 nan 8.280 nan 0.000 0.550 202 K N 4.974 124.987 120.400 -0.644 0.000 2.443 202 K HA 0.168 4.488 4.320 0.000 0.000 0.252 202 K C -1.168 175.093 176.600 -0.566 0.000 0.933 202 K CA -0.908 55.136 56.287 -0.405 0.000 0.792 202 K CB 0.642 33.051 32.500 -0.151 0.000 1.185 202 K HN 0.750 nan 8.250 nan 0.000 0.425 203 H N 4.102 123.002 119.070 -0.283 0.000 3.237 203 H HA -0.102 4.454 4.556 0.000 0.000 0.263 203 H C 0.080 175.307 175.328 -0.168 0.000 0.854 203 H CA 0.959 56.921 56.048 -0.144 0.000 1.416 203 H CB -0.030 29.760 29.762 0.046 0.000 1.432 203 H HN 0.783 nan 8.280 nan 0.000 0.529 204 R N 0.859 121.238 120.500 -0.202 0.000 4.021 204 R HA -0.177 4.163 4.340 0.000 0.000 0.448 204 R C 0.947 177.101 176.300 -0.244 0.000 0.916 204 R CA 1.572 57.578 56.100 -0.157 0.000 1.618 204 R CB -1.497 28.757 30.300 -0.076 0.000 2.271 204 R HN 0.876 nan 8.270 nan 0.000 0.507 205 G N 0.941 109.527 108.800 -0.357 0.000 2.414 205 G HA2 0.125 4.085 3.960 0.000 0.000 0.236 205 G HA3 0.125 4.085 3.960 0.000 0.000 0.236 205 G C -0.101 174.630 174.900 -0.282 0.000 1.293 205 G CA -0.222 44.698 45.100 -0.300 0.000 0.869 205 G HN 0.141 nan 8.290 nan 0.000 0.556 206 R N 2.074 122.433 120.500 -0.234 0.000 2.505 206 R HA 0.093 4.433 4.340 0.000 0.000 0.284 206 R C 0.586 176.788 176.300 -0.163 0.000 1.324 206 R CA -0.504 55.446 56.100 -0.250 0.000 1.432 206 R CB 0.591 30.641 30.300 -0.416 0.000 1.107 206 R HN 0.788 nan 8.270 nan 0.000 0.587 207 N N 2.347 121.011 118.700 -0.061 0.000 2.398 207 N HA -0.004 4.736 4.740 0.000 0.000 0.188 207 N C 0.101 175.677 175.510 0.110 0.000 1.122 207 N CA 0.238 53.303 53.050 0.026 0.000 0.866 207 N CB 0.535 39.074 38.487 0.086 0.000 0.970 207 N HN 0.287 nan 8.380 nan 0.000 0.462 208 L N 0.714 122.000 121.223 0.105 0.000 2.319 208 L HA 0.653 4.993 4.340 0.000 0.000 0.267 208 L C -0.230 176.695 176.870 0.092 0.000 1.011 208 L CA -1.392 53.538 54.840 0.149 0.000 0.818 208 L CB 2.120 44.328 42.059 0.248 0.000 1.316 208 L HN -0.148 nan 8.230 nan 0.000 0.432 209 V N -2.398 117.548 119.914 0.054 0.000 3.007 209 V HA 0.777 4.897 4.120 0.000 0.000 0.311 209 V C -0.208 175.939 176.094 0.088 0.000 1.120 209 V CA -0.618 61.665 62.300 -0.028 0.000 0.980 209 V CB 1.697 33.258 31.823 -0.436 0.000 1.033 209 V HN 0.849 nan 8.190 nan 0.000 0.429 210 T N 0.559 115.203 114.554 0.151 0.000 2.929 210 T HA 0.761 5.111 4.350 0.000 0.000 0.284 210 T C -0.452 174.445 174.700 0.328 0.000 1.014 210 T CA -0.600 61.665 62.100 0.276 0.000 1.051 210 T CB 1.765 70.772 68.868 0.232 0.000 1.028 210 T HN 1.025 nan 8.240 nan 0.000 0.485 211 M N 2.418 122.351 119.600 0.554 0.000 2.259 211 M HA 0.364 4.844 4.480 0.000 0.000 0.304 211 M C -0.053 176.519 176.300 0.453 0.000 1.019 211 M CA -0.558 55.038 55.300 0.494 0.000 0.922 211 M CB 2.162 35.052 32.600 0.483 0.000 1.600 211 M HN 0.958 nan 8.290 nan 0.000 0.433 212 T N 2.626 117.361 114.554 0.302 0.000 2.900 212 T HA 0.390 4.740 4.350 0.000 0.000 0.307 212 T C 0.177 174.950 174.700 0.122 0.000 1.065 212 T CA 0.141 62.221 62.100 -0.033 0.000 1.105 212 T CB 0.443 69.440 68.868 0.214 0.000 0.979 212 T HN 0.855 nan 8.240 nan 0.000 0.544 213 T N 0.335 114.891 114.554 0.002 0.000 2.841 213 T HA 0.869 5.219 4.350 0.000 0.000 0.276 213 T C -0.599 174.177 174.700 0.128 0.000 1.003 213 T CA -0.518 61.621 62.100 0.066 0.000 0.995 213 T CB 1.515 70.364 68.868 -0.032 0.000 1.260 213 T HN 1.056 nan 8.240 nan 0.000 0.581 214 A N 0.857 123.656 122.820 -0.034 0.000 2.604 214 A HA 0.828 5.148 4.320 0.000 0.000 0.295 214 A C -3.109 174.447 177.584 -0.046 0.000 1.067 214 A CA -1.608 50.465 52.037 0.060 0.000 0.683 214 A CB 1.102 20.251 19.000 0.248 0.000 1.281 214 A HN 0.715 nan 8.150 nan 0.000 0.407 215 P HA 0.407 nan 4.420 nan 0.000 0.279 215 P C -0.875 176.523 177.300 0.165 0.000 1.282 215 P CA -0.354 62.774 63.100 0.048 0.000 0.788 215 P CB 0.592 32.217 31.700 -0.126 0.000 1.139 216 R N 0.156 120.786 120.500 0.217 0.000 3.050 216 R HA 0.626 4.966 4.340 0.000 0.000 0.275 216 R C 0.592 176.995 176.300 0.172 0.000 1.373 216 R CA -0.297 55.900 56.100 0.161 0.000 1.612 216 R CB -0.010 30.338 30.300 0.081 0.000 1.218 216 R HN 0.846 nan 8.270 nan 0.000 0.621 217 G N 0.142 109.077 108.800 0.226 0.000 2.260 217 G HA2 -0.122 3.838 3.960 0.000 0.000 0.250 217 G HA3 -0.122 3.838 3.960 0.000 0.000 0.250 217 G C -0.330 174.624 174.900 0.090 0.000 1.340 217 G CA -0.893 44.248 45.100 0.067 0.000 1.056 217 G HN 0.268 nan 8.290 nan 0.000 0.471 218 L N 0.480 121.502 121.223 -0.336 0.000 3.128 218 L HA 0.418 4.758 4.340 0.000 0.000 0.277 218 L C 0.623 176.819 176.870 -1.124 0.000 1.171 218 L CA 0.431 55.038 54.840 -0.388 0.000 1.008 218 L CB 0.748 42.692 42.059 -0.193 0.000 1.442 218 L HN 0.830 nan 8.230 nan 0.000 0.584 219 Q N -1.344 117.501 119.800 -1.593 0.000 2.575 219 Q HA 0.382 4.722 4.340 0.000 0.000 0.290 219 Q C -0.809 174.538 176.000 -1.089 0.000 0.963 219 Q CA -0.668 54.237 55.803 -1.496 0.000 0.783 219 Q CB 1.703 30.033 28.738 -0.679 0.000 1.467 219 Q HN -0.113 nan 8.270 nan 0.000 0.402 220 S N -0.577 114.835 115.700 -0.480 0.000 2.563 220 S HA 0.368 4.838 4.470 0.000 0.000 0.294 220 S C 1.078 175.476 174.600 -0.336 0.000 1.279 220 S CA 1.779 59.924 58.200 -0.090 0.000 1.069 220 S CB -0.541 62.703 63.200 0.074 0.000 0.828 220 S HN 1.288 nan 8.310 nan 0.000 0.497 221 G N 4.240 112.683 108.800 -0.595 0.000 2.218 221 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 221 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 221 G C -0.304 174.308 174.900 -0.481 0.000 0.994 221 G CA -0.008 44.533 45.100 -0.932 0.000 0.637 221 G HN 0.672 nan 8.290 nan 0.000 0.505 222 D N 0.094 120.302 120.400 -0.320 0.000 2.341 222 D HA 0.572 5.212 4.640 0.000 0.000 0.245 222 D C 0.799 177.023 176.300 -0.128 0.000 1.106 222 D CA 0.104 53.969 54.000 -0.225 0.000 0.905 222 D CB 1.028 41.664 40.800 -0.273 0.000 1.202 222 D HN 0.329 nan 8.370 nan 0.000 0.426 223 R N 0.653 121.030 120.500 -0.204 0.000 2.684 223 R HA 0.499 4.839 4.340 0.000 0.000 0.252 223 R C -1.640 174.374 176.300 -0.476 0.000 1.628 223 R CA -0.322 55.581 56.100 -0.328 0.000 1.622 223 R CB 0.396 30.451 30.300 -0.409 0.000 1.418 223 R HN 0.397 nan 8.270 nan 0.000 0.697 224 A N 1.316 123.992 122.820 -0.239 0.000 2.311 224 A HA 0.579 4.899 4.320 0.000 0.000 0.306 224 A C -0.680 176.859 177.584 -0.076 0.000 1.189 224 A CA -0.460 51.472 52.037 -0.175 0.000 0.791 224 A CB 1.547 20.439 19.000 -0.180 0.000 1.172 224 A HN 0.280 nan 8.150 nan 0.000 0.481 225 T N 1.989 116.556 114.554 0.022 0.000 2.807 225 T HA 0.402 4.752 4.350 0.000 0.000 0.279 225 T C -0.739 173.914 174.700 -0.078 0.000 0.993 225 T CA -0.037 62.060 62.100 -0.005 0.000 0.970 225 T CB 0.556 69.417 68.868 -0.011 0.000 0.950 225 T HN 0.587 nan 8.240 nan 0.000 0.441 226 W N 2.963 124.238 121.300 -0.043 0.000 2.356 226 W HA 0.483 5.143 4.660 0.000 0.000 0.311 226 W C -0.517 175.945 176.519 -0.095 0.000 1.328 226 W CA -0.707 56.648 57.345 0.016 0.000 1.251 226 W CB 0.212 29.682 29.460 0.016 0.000 1.280 226 W HN 0.527 nan 8.180 nan 0.000 0.524 227 F N 2.774 122.942 119.950 0.363 0.000 2.427 227 F HA 0.508 5.035 4.527 0.000 0.000 0.346 227 F C 1.058 177.027 175.800 0.282 0.000 1.120 227 F CA -0.772 57.403 58.000 0.292 0.000 1.033 227 F CB 0.994 40.106 39.000 0.188 0.000 1.126 227 F HN 0.309 nan 8.300 nan 0.000 0.462 228 G N 3.328 112.394 108.800 0.444 0.000 2.507 228 G HA2 0.541 4.501 3.960 0.000 0.000 0.271 228 G HA3 0.541 4.501 3.960 0.000 0.000 0.271 228 G C -1.249 173.639 174.900 -0.020 0.000 1.189 228 G CA -0.477 44.743 45.100 0.202 0.000 0.859 228 G HN 0.532 nan 8.290 nan 0.000 0.542 229 L N 0.600 121.510 121.223 -0.522 0.000 2.341 229 L HA 0.545 4.885 4.340 0.000 0.000 0.278 229 L C -1.096 175.342 176.870 -0.719 0.000 1.005 229 L CA -0.613 53.995 54.840 -0.386 0.000 0.818 229 L CB 1.669 43.585 42.059 -0.238 0.000 1.259 229 L HN 0.522 nan 8.230 nan 0.000 0.418 230 Y N 1.223 121.411 120.300 -0.187 0.000 2.545 230 Y HA 0.451 5.001 4.550 0.000 0.000 0.348 230 Y C -0.646 175.185 175.900 -0.115 0.000 1.002 230 Y CA -0.924 57.094 58.100 -0.136 0.000 1.039 230 Y CB 1.323 39.811 38.460 0.047 0.000 1.271 230 Y HN 0.257 nan 8.280 nan 0.000 0.467 231 Y N 1.056 121.499 120.300 0.238 0.000 2.497 231 Y HA 0.006 4.557 4.550 0.000 0.000 0.334 231 Y C 0.852 176.791 175.900 0.065 0.000 1.199 231 Y CA -0.266 57.920 58.100 0.143 0.000 1.425 231 Y CB 0.277 38.832 38.460 0.159 0.000 1.291 231 Y HN 0.484 nan 8.280 nan 0.000 0.562 232 N N 3.906 122.707 118.700 0.167 0.000 2.807 232 N HA 0.090 4.830 4.740 0.000 0.000 0.259 232 N C -1.064 174.468 175.510 0.036 0.000 1.149 232 N CA -0.170 52.887 53.050 0.013 0.000 1.042 232 N CB -0.426 38.027 38.487 -0.056 0.000 1.367 232 N HN 0.345 nan 8.380 nan 0.000 0.516 233 I N 0.914 121.529 120.570 0.075 0.000 2.618 233 I HA -0.019 4.151 4.170 0.000 0.000 0.284 233 I C 1.048 177.176 176.117 0.018 0.000 1.146 233 I CA -0.075 61.251 61.300 0.043 0.000 1.425 233 I CB 0.148 38.171 38.000 0.039 0.000 1.383 233 I HN 0.296 nan 8.210 nan 0.000 0.562 234 S N 4.512 120.212 115.700 -0.001 0.000 2.474 234 S HA 0.435 4.905 4.470 0.000 0.000 0.276 234 S C 1.089 175.689 174.600 -0.000 0.000 1.227 234 S CA 0.308 58.498 58.200 -0.017 0.000 1.050 234 S CB 0.177 63.355 63.200 -0.038 0.000 0.939 234 S HN 1.082 nan 8.310 nan 0.000 0.490 235 G N 2.952 111.746 108.800 -0.011 0.000 2.155 235 G HA2 -0.037 3.923 3.960 0.000 0.000 0.257 235 G HA3 -0.037 3.923 3.960 0.000 0.000 0.257 235 G C 0.148 175.077 174.900 0.049 0.000 0.983 235 G CA 0.230 45.329 45.100 -0.001 0.000 0.676 235 G HN 1.439 nan 8.290 nan 0.000 0.528 236 A N -1.377 121.478 122.820 0.057 0.000 2.602 236 A HA 0.926 5.246 4.320 0.000 0.000 0.290 236 A C 0.464 178.019 177.584 -0.048 0.000 1.114 236 A CA 0.397 52.493 52.037 0.098 0.000 0.683 236 A CB 0.556 19.652 19.000 0.159 0.000 1.281 236 A HN 1.853 nan 8.150 nan 0.000 0.416 237 G N -0.265 108.381 108.800 -0.256 0.000 2.313 237 G HA2 0.400 4.360 3.960 0.000 0.000 0.250 237 G HA3 0.400 4.360 3.960 0.000 0.000 0.250 237 G C 0.368 174.882 174.900 -0.643 0.000 1.281 237 G CA 0.426 44.954 45.100 -0.953 0.000 0.917 237 G HN 1.321 nan 8.290 nan 0.000 0.501 238 F N 0.972 120.418 119.950 -0.840 0.000 2.743 238 F HA 0.252 4.779 4.527 0.000 0.000 0.297 238 F C 1.462 176.990 175.800 -0.454 0.000 1.131 238 F CA -0.722 56.992 58.000 -0.476 0.000 1.426 238 F CB -0.474 38.239 39.000 -0.479 0.000 1.116 238 F HN 0.355 nan 8.300 nan 0.000 0.583 239 F N 1.101 120.618 119.950 -0.722 0.000 2.451 239 F HA 0.036 4.563 4.527 0.000 0.000 0.299 239 F C 1.516 177.218 175.800 -0.163 0.000 1.101 239 F CA 0.680 58.334 58.000 -0.577 0.000 1.436 239 F CB -0.716 37.888 39.000 -0.660 0.000 1.074 239 F HN 0.022 nan 8.300 nan 0.000 0.553 240 L N 0.301 121.428 121.223 -0.160 0.000 2.685 240 L HA 0.118 4.458 4.340 0.000 0.000 0.233 240 L C 0.027 176.483 176.870 -0.689 0.000 1.173 240 L CA 0.199 54.809 54.840 -0.383 0.000 0.961 240 L CB -0.407 41.331 42.059 -0.534 0.000 1.217 240 L HN 0.261 nan 8.230 nan 0.000 0.478 241 H N -1.314 117.911 119.070 0.259 0.000 2.616 241 H HA 0.202 4.758 4.556 0.000 0.000 0.229 241 H C -0.470 175.090 175.328 0.387 0.000 1.418 241 H CA -0.387 55.847 56.048 0.310 0.000 1.248 241 H CB 0.304 30.232 29.762 0.275 0.000 1.822 241 H HN 0.112 nan 8.280 nan 0.000 0.522 242 H N 1.502 120.751 119.070 0.297 0.000 2.848 242 H HA 0.032 4.588 4.556 0.000 0.000 0.317 242 H C 0.792 176.075 175.328 -0.075 0.000 1.046 242 H CA 0.199 56.208 56.048 -0.064 0.000 1.470 242 H CB 1.344 31.110 29.762 0.006 0.000 1.483 242 H HN 0.183 nan 8.280 nan 0.000 0.548 243 V N 4.581 124.262 119.914 -0.389 0.000 3.217 243 V HA -0.038 4.082 4.120 0.000 0.000 0.264 243 V C 1.712 177.630 176.094 -0.292 0.000 1.135 243 V CA 1.588 63.672 62.300 -0.360 0.000 1.142 243 V CB -0.282 31.230 31.823 -0.519 0.000 0.754 243 V HN 1.148 nan 8.190 nan 0.000 0.484 244 G N -0.139 108.623 108.800 -0.063 0.000 2.194 244 G HA2 -0.213 3.747 3.960 0.000 0.000 0.236 244 G HA3 -0.213 3.747 3.960 0.000 0.000 0.236 244 G C -0.114 174.764 174.900 -0.036 0.000 0.987 244 G CA 0.184 45.178 45.100 -0.176 0.000 0.635 244 G HN 0.401 nan 8.290 nan 0.000 0.520 245 L N 1.768 122.999 121.223 0.012 0.000 2.275 245 L HA 0.792 5.132 4.340 0.000 0.000 0.288 245 L C -0.138 176.817 176.870 0.141 0.000 1.046 245 L CA -0.712 54.205 54.840 0.128 0.000 0.805 245 L CB 1.042 43.131 42.059 0.050 0.000 1.193 245 L HN 0.268 nan 8.230 nan 0.000 0.426 246 E N 5.550 125.934 120.200 0.306 0.000 2.293 246 E HA 0.597 4.947 4.350 0.000 0.000 0.270 246 E C -1.496 175.424 176.600 0.532 0.000 0.879 246 E CA -0.727 55.919 56.400 0.411 0.000 0.756 246 E CB 2.446 32.394 29.700 0.414 0.000 1.208 246 E HN 0.475 nan 8.360 nan 0.000 0.428 247 L N 2.474 123.995 121.223 0.496 0.000 2.386 247 L HA 0.441 4.781 4.340 0.000 0.000 0.271 247 L C -1.100 175.857 176.870 0.145 0.000 0.993 247 L CA -1.120 53.903 54.840 0.306 0.000 0.819 247 L CB 1.548 43.692 42.059 0.141 0.000 1.294 247 L HN 0.304 nan 8.230 nan 0.000 0.414 248 L N 4.229 125.243 121.223 -0.350 0.000 2.255 248 L HA 0.489 4.829 4.340 0.000 0.000 0.289 248 L C -0.638 176.074 176.870 -0.263 0.000 1.046 248 L CA -0.087 54.303 54.840 -0.750 0.000 0.816 248 L CB 1.366 42.522 42.059 -1.505 0.000 1.197 248 L HN 0.293 nan 8.230 nan 0.000 0.427 249 V N 5.239 125.117 119.914 -0.059 0.000 2.370 249 V HA 0.368 4.488 4.120 0.000 0.000 0.283 249 V C 0.017 176.134 176.094 0.039 0.000 1.023 249 V CA -0.730 61.603 62.300 0.056 0.000 0.857 249 V CB 1.341 33.273 31.823 0.182 0.000 0.985 249 V HN 0.766 nan 8.190 nan 0.000 0.443 250 N N 3.735 122.413 118.700 -0.036 0.000 2.469 250 N HA 0.167 4.907 4.740 0.000 0.000 0.239 250 N C 0.268 175.646 175.510 -0.219 0.000 1.053 250 N CA -0.374 52.609 53.050 -0.113 0.000 0.937 250 N CB 0.223 38.666 38.487 -0.074 0.000 1.163 250 N HN 0.850 nan 8.380 nan 0.000 0.509 251 H N 0.760 119.502 119.070 -0.546 0.000 2.481 251 H HA 0.326 4.882 4.556 0.000 0.000 0.273 251 H C 1.164 176.138 175.328 -0.590 0.000 1.145 251 H CA -0.606 54.658 56.048 -1.308 0.000 0.964 251 H CB 0.544 29.232 29.762 -1.790 0.000 1.722 251 H HN 0.366 nan 8.280 nan 0.000 0.573 252 K N 1.134 121.332 120.400 -0.336 0.000 2.057 252 K HA 0.106 4.426 4.320 0.000 0.000 0.206 252 K C 0.971 177.655 176.600 0.140 0.000 1.050 252 K CA 0.641 56.856 56.287 -0.120 0.000 0.935 252 K CB -0.073 32.365 32.500 -0.103 0.000 0.715 252 K HN 0.434 nan 8.250 nan 0.000 0.439 253 A N 1.127 124.128 122.820 0.303 0.000 2.520 253 A HA 0.025 4.345 4.320 0.000 0.000 0.235 253 A C 0.976 178.827 177.584 0.446 0.000 1.065 253 A CA 0.011 52.262 52.037 0.356 0.000 0.764 253 A CB 0.130 19.335 19.000 0.342 0.000 1.002 253 A HN 0.400 nan 8.150 nan 0.000 0.502 254 L N 0.145 121.525 121.223 0.262 0.000 2.395 254 L HA 0.014 4.354 4.340 0.000 0.000 0.218 254 L C 0.421 177.368 176.870 0.128 0.000 1.130 254 L CA 0.669 55.648 54.840 0.231 0.000 0.826 254 L CB -0.230 41.924 42.059 0.159 0.000 0.941 254 L HN 0.780 nan 8.230 nan 0.000 0.451 255 D N -0.204 120.222 120.400 0.042 0.000 2.414 255 D HA 0.202 4.842 4.640 0.000 0.000 0.232 255 D C -1.833 174.237 176.300 -0.382 0.000 1.070 255 D CA -2.341 51.592 54.000 -0.112 0.000 0.839 255 D CB 1.811 42.573 40.800 -0.064 0.000 1.079 255 D HN -0.228 nan 8.370 nan 0.000 0.521 256 P HA -0.127 nan 4.420 nan 0.000 0.218 256 P C 1.064 177.845 177.300 -0.865 0.000 1.146 256 P CA 1.212 63.304 63.100 -1.679 0.000 0.813 256 P CB 0.185 31.084 31.700 -1.336 0.000 0.778 257 A N -0.176 122.391 122.820 -0.423 0.000 2.084 257 A HA -0.198 4.122 4.320 0.000 0.000 0.221 257 A C 2.012 179.530 177.584 -0.109 0.000 1.161 257 A CA 1.390 53.307 52.037 -0.200 0.000 0.653 257 A CB -0.708 18.220 19.000 -0.121 0.000 0.802 257 A HN 0.099 nan 8.150 nan 0.000 0.457 258 R N -1.708 118.728 120.500 -0.107 0.000 2.334 258 R HA 0.029 4.369 4.340 0.000 0.000 0.216 258 R C -0.503 175.921 176.300 0.206 0.000 0.905 258 R CA -0.393 55.734 56.100 0.044 0.000 1.064 258 R CB -0.046 30.290 30.300 0.060 0.000 1.046 258 R HN 0.562 nan 8.270 nan 0.000 0.508 259 W N 2.345 123.671 121.300 0.043 0.000 2.112 259 W HA 0.097 4.757 4.660 0.000 0.000 0.349 259 W C 1.003 177.541 176.519 0.032 0.000 1.289 259 W CA -0.149 57.228 57.345 0.053 0.000 1.256 259 W CB 0.064 29.572 29.460 0.080 0.000 1.148 259 W HN -0.088 nan 8.180 nan 0.000 0.590 260 T N -0.435 114.263 114.554 0.240 0.000 2.883 260 T HA 0.571 4.921 4.350 0.000 0.000 0.301 260 T C -0.743 173.997 174.700 0.067 0.000 1.158 260 T CA -1.053 61.119 62.100 0.120 0.000 1.007 260 T CB 1.832 70.743 68.868 0.072 0.000 1.186 260 T HN 0.111 nan 8.240 nan 0.000 0.499 261 I N 2.639 123.232 120.570 0.039 0.000 2.301 261 I HA 0.217 4.387 4.170 0.000 0.000 0.292 261 I C 1.406 177.514 176.117 -0.014 0.000 1.046 261 I CA -0.066 61.236 61.300 0.003 0.000 1.282 261 I CB 0.787 38.794 38.000 0.010 0.000 1.409 261 I HN 0.843 nan 8.210 nan 0.000 0.484 262 Q N 3.526 123.286 119.800 -0.067 0.000 2.187 262 Q HA -0.022 4.318 4.340 0.000 0.000 0.199 262 Q C 0.214 176.194 176.000 -0.034 0.000 0.957 262 Q CA 1.047 56.810 55.803 -0.068 0.000 0.857 262 Q CB 0.450 29.115 28.738 -0.122 0.000 0.929 262 Q HN 0.410 nan 8.270 nan 0.000 0.453 263 K N -0.854 119.517 120.400 -0.048 0.000 2.568 263 K HA 0.414 4.734 4.320 0.000 0.000 0.273 263 K C -1.958 174.779 176.600 0.228 0.000 0.951 263 K CA -0.401 55.955 56.287 0.115 0.000 0.854 263 K CB 2.453 35.066 32.500 0.187 0.000 1.424 263 K HN -0.197 nan 8.250 nan 0.000 0.427 264 V N 2.609 122.779 119.914 0.426 0.000 2.789 264 V HA 0.622 4.742 4.120 0.000 0.000 0.311 264 V C -1.387 175.086 176.094 0.631 0.000 1.073 264 V CA -0.808 61.770 62.300 0.463 0.000 0.921 264 V CB 1.731 33.727 31.823 0.288 0.000 1.009 264 V HN 0.697 nan 8.190 nan 0.000 0.426 265 F N 4.542 124.706 119.950 0.356 0.000 2.536 265 F HA 0.690 5.217 4.527 0.000 0.000 0.322 265 F C -1.450 174.439 175.800 0.150 0.000 1.144 265 F CA -0.732 57.333 58.000 0.109 0.000 0.924 265 F CB 1.585 40.494 39.000 -0.152 0.000 1.181 265 F HN 0.519 nan 8.300 nan 0.000 0.438 266 Y N 5.532 125.608 120.300 -0.372 0.000 2.346 266 Y HA 0.302 4.852 4.550 0.000 0.000 0.332 266 Y C -0.132 175.472 175.900 -0.493 0.000 0.985 266 Y CA -0.920 56.981 58.100 -0.331 0.000 1.112 266 Y CB 1.212 39.505 38.460 -0.278 0.000 1.170 266 Y HN 0.730 nan 8.280 nan 0.000 0.447 267 Q N 4.741 123.902 119.800 -1.064 0.000 2.423 267 Q HA -0.252 4.088 4.340 0.000 0.000 0.332 267 Q C 0.939 176.494 176.000 -0.741 0.000 1.355 267 Q CA 1.378 56.667 55.803 -0.858 0.000 0.947 267 Q CB -1.461 26.625 28.738 -1.087 0.000 1.189 267 Q HN 1.376 nan 8.270 nan 0.000 0.418 268 G N -0.436 107.580 108.800 -1.307 0.000 2.141 268 G HA2 -0.295 3.665 3.960 0.000 0.000 0.242 268 G HA3 -0.295 3.665 3.960 0.000 0.000 0.242 268 G C -0.044 173.997 174.900 -1.433 0.000 0.982 268 G CA 0.287 44.143 45.100 -2.074 0.000 0.662 268 G HN 0.353 nan 8.290 nan 0.000 0.527 269 R N -1.355 118.245 120.500 -1.499 0.000 2.771 269 R HA 0.584 4.924 4.340 0.000 0.000 0.274 269 R C -1.069 174.723 176.300 -0.846 0.000 0.987 269 R CA -0.853 54.729 56.100 -0.862 0.000 0.908 269 R CB 1.348 31.363 30.300 -0.476 0.000 1.213 269 R HN 0.134 nan 8.270 nan 0.000 0.468 270 Y N 0.874 120.975 120.300 -0.330 0.000 2.334 270 Y HA 0.405 4.955 4.550 0.000 0.000 0.328 270 Y C -0.461 175.171 175.900 -0.447 0.000 1.130 270 Y CA -0.107 57.945 58.100 -0.080 0.000 1.163 270 Y CB 1.150 39.672 38.460 0.103 0.000 1.207 270 Y HN 0.388 nan 8.280 nan 0.000 0.471 271 Y N 0.132 120.596 120.300 0.273 0.000 2.534 271 Y HA 0.208 4.758 4.550 0.000 0.000 0.345 271 Y C 0.303 176.299 175.900 0.161 0.000 1.031 271 Y CA -1.223 56.971 58.100 0.157 0.000 1.022 271 Y CB 1.498 40.007 38.460 0.082 0.000 1.292 271 Y HN 0.542 nan 8.280 nan 0.000 0.459 272 D N 0.449 120.997 120.400 0.247 0.000 2.224 272 D HA -0.001 4.639 4.640 0.000 0.000 0.205 272 D C 0.274 176.655 176.300 0.136 0.000 0.965 272 D CA 1.332 55.428 54.000 0.159 0.000 0.852 272 D CB 0.296 41.159 40.800 0.105 0.000 0.947 272 D HN 0.428 nan 8.370 nan 0.000 0.494 273 S N -1.989 113.795 115.700 0.141 0.000 2.615 273 S HA 0.279 4.749 4.470 0.000 0.000 0.268 273 S C 0.475 175.095 174.600 0.033 0.000 1.146 273 S CA -0.795 57.452 58.200 0.077 0.000 0.818 273 S CB 0.491 63.719 63.200 0.046 0.000 1.111 273 S HN -0.066 nan 8.310 nan 0.000 0.465 274 L N 0.997 122.206 121.223 -0.023 0.000 2.131 274 L HA 0.035 4.375 4.340 0.000 0.000 0.210 274 L C 2.994 179.799 176.870 -0.108 0.000 1.092 274 L CA 1.732 56.509 54.840 -0.105 0.000 0.759 274 L CB -0.887 41.100 42.059 -0.119 0.000 0.903 274 L HN 0.932 nan 8.230 nan 0.000 0.435 275 A N -0.574 122.214 122.820 -0.053 0.000 1.898 275 A HA -0.267 4.054 4.320 0.000 0.000 0.216 275 A C 2.291 179.857 177.584 -0.030 0.000 1.181 275 A CA 1.705 53.719 52.037 -0.039 0.000 0.620 275 A CB -0.537 18.454 19.000 -0.014 0.000 0.819 275 A HN 0.471 nan 8.150 nan 0.000 0.442 276 Q N -0.848 118.953 119.800 0.000 0.000 2.084 276 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 276 Q C 2.018 178.020 176.000 0.004 0.000 0.978 276 Q CA 1.694 57.521 55.803 0.041 0.000 0.844 276 Q CB -0.237 28.565 28.738 0.107 0.000 0.898 276 Q HN 0.528 nan 8.270 nan 0.000 0.426 277 L N 1.414 122.561 121.223 -0.127 0.000 1.989 277 L HA -0.205 4.135 4.340 0.000 0.000 0.211 277 L C 2.218 178.930 176.870 -0.263 0.000 1.071 277 L CA 2.481 57.058 54.840 -0.437 0.000 0.749 277 L CB -0.880 40.777 42.059 -0.669 0.000 0.890 277 L HN 0.239 nan 8.230 nan 0.000 0.431 278 E N -0.124 119.964 120.200 -0.186 0.000 2.085 278 E HA -0.186 4.164 4.350 0.000 0.000 0.194 278 E C 2.075 178.680 176.600 0.008 0.000 0.994 278 E CA 1.703 58.053 56.400 -0.084 0.000 0.801 278 E CB -0.472 29.175 29.700 -0.089 0.000 0.743 278 E HN 0.569 nan 8.360 nan 0.000 0.453 279 A N 0.126 122.938 122.820 -0.013 0.000 1.902 279 A HA -0.216 4.104 4.320 0.000 0.000 0.217 279 A C 2.206 179.790 177.584 -0.000 0.000 1.181 279 A CA 1.752 53.788 52.037 -0.002 0.000 0.623 279 A CB -0.624 18.378 19.000 0.003 0.000 0.818 279 A HN 0.356 nan 8.150 nan 0.000 0.443 280 Q N -1.984 117.828 119.800 0.019 0.000 2.167 280 Q HA -0.098 4.243 4.340 0.000 0.000 0.202 280 Q C 1.748 177.758 176.000 0.017 0.000 0.970 280 Q CA 1.500 57.325 55.803 0.037 0.000 0.855 280 Q CB -0.242 28.566 28.738 0.117 0.000 0.911 280 Q HN 0.778 nan 8.270 nan 0.000 0.438 281 F N 1.426 121.302 119.950 -0.123 0.000 2.084 281 F HA -0.133 4.394 4.527 0.000 0.000 0.296 281 F C 1.697 177.422 175.800 -0.126 0.000 1.111 281 F CA 1.556 59.467 58.000 -0.149 0.000 1.224 281 F CB -0.087 38.781 39.000 -0.219 0.000 0.991 281 F HN -0.008 nan 8.300 nan 0.000 0.471 282 E N 0.286 120.321 120.200 -0.275 0.000 2.160 282 E HA -0.200 4.150 4.350 0.000 0.000 0.195 282 E C 2.101 178.529 176.600 -0.287 0.000 0.991 282 E CA 0.969 57.166 56.400 -0.339 0.000 0.810 282 E CB -0.401 29.237 29.700 -0.102 0.000 0.742 282 E HN 0.509 nan 8.360 nan 0.000 0.466 283 A N 0.227 122.933 122.820 -0.189 0.000 2.206 283 A HA 0.214 4.535 4.320 0.000 0.000 0.211 283 A C 1.651 179.146 177.584 -0.148 0.000 1.158 283 A CA 0.811 52.770 52.037 -0.130 0.000 0.761 283 A CB -0.205 18.756 19.000 -0.065 0.000 0.801 283 A HN 0.323 nan 8.150 nan 0.000 0.473 284 G N -1.909 106.752 108.800 -0.232 0.000 2.142 284 G HA2 -0.199 3.761 3.960 0.000 0.000 0.225 284 G HA3 -0.199 3.761 3.960 0.000 0.000 0.225 284 G C 0.486 175.320 174.900 -0.109 0.000 1.015 284 G CA 0.502 45.473 45.100 -0.214 0.000 0.716 284 G HN 0.833 nan 8.290 nan 0.000 0.508 285 L N -0.381 120.803 121.223 -0.064 0.000 2.500 285 L HA 0.492 4.832 4.340 0.000 0.000 0.219 285 L C 1.421 178.322 176.870 0.052 0.000 1.057 285 L CA 0.550 55.393 54.840 0.004 0.000 0.854 285 L CB 0.697 42.773 42.059 0.028 0.000 1.078 285 L HN 0.116 nan 8.230 nan 0.000 0.480 286 V N 2.372 122.336 119.914 0.084 0.000 2.370 286 V HA 0.094 4.214 4.120 0.000 0.000 0.257 286 V C -0.291 175.904 176.094 0.167 0.000 1.064 286 V CA -0.229 62.169 62.300 0.164 0.000 0.975 286 V CB -0.579 31.370 31.823 0.211 0.000 1.067 286 V HN 0.385 nan 8.190 nan 0.000 0.485 287 N N 3.621 122.399 118.700 0.130 0.000 2.458 287 N HA 0.388 5.128 4.740 0.000 0.000 0.270 287 N C -0.743 174.855 175.510 0.146 0.000 1.102 287 N CA -0.457 52.666 53.050 0.122 0.000 0.967 287 N CB 1.582 40.126 38.487 0.094 0.000 1.078 287 N HN 0.421 nan 8.380 nan 0.000 0.471 288 V N 3.141 123.160 119.914 0.174 0.000 2.357 288 V HA 0.189 4.309 4.120 0.000 0.000 0.284 288 V C 0.128 176.302 176.094 0.133 0.000 1.018 288 V CA -0.848 61.557 62.300 0.175 0.000 0.841 288 V CB 1.471 33.451 31.823 0.262 0.000 0.991 288 V HN 0.387 nan 8.190 nan 0.000 0.437 289 V N 6.765 126.712 119.914 0.056 0.000 2.508 289 V HA 0.220 4.340 4.120 0.000 0.000 0.281 289 V C 0.277 176.365 176.094 -0.009 0.000 1.041 289 V CA -0.237 62.109 62.300 0.077 0.000 1.016 289 V CB 1.139 33.085 31.823 0.204 0.000 0.984 289 V HN 0.611 nan 8.190 nan 0.000 0.478 290 L N 6.665 127.905 121.223 0.028 0.000 2.283 290 L HA 0.438 4.778 4.340 0.000 0.000 0.287 290 L C -0.199 176.668 176.870 -0.005 0.000 1.073 290 L CA -0.005 54.847 54.840 0.020 0.000 0.822 290 L CB 0.439 42.526 42.059 0.046 0.000 1.186 290 L HN 0.497 nan 8.230 nan 0.000 0.436 291 I N 6.281 126.884 120.570 0.055 0.000 2.297 291 I HA 0.253 4.423 4.170 0.000 0.000 0.291 291 I C -1.750 174.661 176.117 0.490 0.000 1.033 291 I CA -1.872 59.543 61.300 0.192 0.000 1.253 291 I CB 1.048 39.196 38.000 0.246 0.000 1.396 291 I HN 0.382 nan 8.210 nan 0.000 0.476 292 P HA 0.044 nan 4.420 nan 0.000 0.272 292 P C -0.428 176.961 177.300 0.148 0.000 1.223 292 P CA -0.043 63.248 63.100 0.318 0.000 0.784 292 P CB 0.937 32.770 31.700 0.223 0.000 0.923 293 D N -0.434 119.695 120.400 -0.451 0.000 2.433 293 D HA 0.094 4.734 4.640 0.000 0.000 0.211 293 D C -0.116 175.825 176.300 -0.598 0.000 1.114 293 D CA 0.025 53.492 54.000 -0.888 0.000 0.837 293 D CB -0.170 39.695 40.800 -1.559 0.000 0.984 293 D HN 0.157 nan 8.370 nan 0.000 0.505 294 N N -0.887 117.325 118.700 -0.812 0.000 2.416 294 N HA 0.670 5.410 4.740 0.000 0.000 0.276 294 N C -0.778 173.732 175.510 -1.668 0.000 1.261 294 N CA -0.058 52.352 53.050 -1.066 0.000 0.790 294 N CB 2.216 40.329 38.487 -0.624 0.000 1.554 294 N HN 0.149 nan 8.380 nan 0.000 0.481 295 G N -1.052 106.686 108.800 -1.771 0.000 2.428 295 G HA2 0.458 4.418 3.960 0.000 0.000 0.304 295 G HA3 0.458 4.418 3.960 0.000 0.000 0.304 295 G C -1.514 172.920 174.900 -0.776 0.000 1.303 295 G CA -0.117 44.064 45.100 -1.531 0.000 0.825 295 G HN 0.749 nan 8.290 nan 0.000 0.484 296 T N -2.997 111.363 114.554 -0.323 0.000 2.916 296 T HA 0.919 5.269 4.350 0.000 0.000 0.292 296 T C 0.640 175.481 174.700 0.235 0.000 1.064 296 T CA 0.558 62.662 62.100 0.007 0.000 1.011 296 T CB 1.599 70.456 68.868 -0.018 0.000 1.152 296 T HN 2.765 nan 8.240 nan 0.000 0.510 297 G N 0.052 108.977 108.800 0.208 0.000 2.660 297 G HA2 0.199 4.159 3.960 0.000 0.000 0.247 297 G HA3 0.199 4.159 3.960 0.000 0.000 0.247 297 G C 0.783 175.825 174.900 0.236 0.000 1.328 297 G CA -0.053 45.167 45.100 0.201 0.000 0.884 297 G HN 1.642 nan 8.290 nan 0.000 0.531 298 G N -0.446 108.451 108.800 0.162 0.000 2.470 298 G HA2 0.148 4.108 3.960 0.000 0.000 0.220 298 G HA3 0.148 4.108 3.960 0.000 0.000 0.220 298 G C 2.037 177.013 174.900 0.126 0.000 1.121 298 G CA 2.155 47.329 45.100 0.124 0.000 0.766 298 G HN 2.094 nan 8.290 nan 0.000 0.553 299 S N -1.798 113.967 115.700 0.107 0.000 2.593 299 S HA 0.089 4.559 4.470 0.000 0.000 0.217 299 S C 1.406 175.878 174.600 -0.213 0.000 0.966 299 S CA 0.015 58.172 58.200 -0.071 0.000 0.914 299 S CB -0.320 62.782 63.200 -0.165 0.000 0.776 299 S HN 0.568 nan 8.310 nan 0.000 0.523 300 W N 1.717 123.158 121.300 0.236 0.000 2.773 300 W HA 0.428 5.088 4.660 0.000 0.000 0.297 300 W C 0.765 177.364 176.519 0.133 0.000 1.050 300 W CA 0.106 57.565 57.345 0.190 0.000 1.467 300 W CB 0.523 30.038 29.460 0.092 0.000 0.977 300 W HN 0.434 nan 8.180 nan 0.000 0.573 301 S N -1.157 114.727 115.700 0.306 0.000 2.643 301 S HA 0.438 4.908 4.470 0.000 0.000 0.270 301 S C -0.462 174.245 174.600 0.178 0.000 1.166 301 S CA -0.730 57.601 58.200 0.219 0.000 0.815 301 S CB 1.142 64.442 63.200 0.167 0.000 1.139 301 S HN -0.032 nan 8.310 nan 0.000 0.472 302 L N 0.099 121.406 121.223 0.139 0.000 2.638 302 L HA 0.430 4.770 4.340 0.000 0.000 0.232 302 L C 0.868 177.768 176.870 0.050 0.000 1.099 302 L CA 0.030 54.922 54.840 0.088 0.000 0.883 302 L CB 0.112 42.225 42.059 0.090 0.000 1.136 302 L HN 0.678 nan 8.230 nan 0.000 0.492 303 K N 1.387 121.820 120.400 0.054 0.000 2.349 303 K HA 0.088 4.408 4.320 0.000 0.000 0.289 303 K C 0.332 176.946 176.600 0.025 0.000 1.064 303 K CA -0.045 56.260 56.287 0.030 0.000 0.947 303 K CB 0.874 33.390 32.500 0.027 0.000 1.007 303 K HN -0.112 nan 8.250 nan 0.000 0.478 304 S N 5.106 120.811 115.700 0.009 0.000 2.537 304 S HA 0.090 4.560 4.470 0.000 0.000 0.286 304 S C -1.169 173.434 174.600 0.006 0.000 1.299 304 S CA -1.277 56.926 58.200 0.006 0.000 1.067 304 S CB 0.605 63.801 63.200 -0.006 0.000 0.864 304 S HN 0.637 nan 8.310 nan 0.000 0.494 305 P HA 0.090 nan 4.420 nan 0.000 0.236 305 P C -0.182 177.118 177.300 -0.001 0.000 1.177 305 P CA 0.204 63.308 63.100 0.007 0.000 0.773 305 P CB 0.021 31.729 31.700 0.013 0.000 0.878 306 V N 4.207 124.119 119.914 -0.003 0.000 2.432 306 V HA 0.233 4.353 4.120 0.000 0.000 0.275 306 V C -1.699 174.387 176.094 -0.014 0.000 1.043 306 V CA -1.686 60.609 62.300 -0.008 0.000 0.925 306 V CB 0.873 32.691 31.823 -0.008 0.000 0.985 306 V HN 0.094 nan 8.190 nan 0.000 0.466 307 P HA 0.273 nan 4.420 nan 0.000 0.269 307 P C -2.597 174.689 177.300 -0.023 0.000 1.215 307 P CA -1.028 62.061 63.100 -0.020 0.000 0.780 307 P CB -0.296 31.393 31.700 -0.018 0.000 0.898 308 P HA 0.242 nan 4.420 nan 0.000 0.269 308 P C 0.438 177.720 177.300 -0.030 0.000 1.215 308 P CA 0.109 63.190 63.100 -0.033 0.000 0.780 308 P CB 0.288 31.964 31.700 -0.040 0.000 0.898 309 G N 1.359 110.142 108.800 -0.030 0.000 3.122 309 G HA2 0.571 4.531 3.960 0.000 0.000 0.180 309 G HA3 0.571 4.531 3.960 0.000 0.000 0.180 309 G C -2.370 172.511 174.900 -0.031 0.000 1.279 309 G CA -0.809 44.275 45.100 -0.027 0.000 0.987 309 G HN 0.437 nan 8.290 nan 0.000 0.589 310 P HA 0.385 nan 4.420 nan 0.000 0.267 310 P C 0.038 177.316 177.300 -0.036 0.000 1.200 310 P CA -0.074 63.007 63.100 -0.032 0.000 0.772 310 P CB 0.543 32.227 31.700 -0.027 0.000 0.855 311 A N 4.543 127.337 122.820 -0.043 0.000 2.520 311 A HA 0.347 4.667 4.320 0.000 0.000 0.235 311 A C -1.648 175.912 177.584 -0.040 0.000 1.065 311 A CA -0.682 51.326 52.037 -0.049 0.000 0.764 311 A CB -1.493 17.469 19.000 -0.063 0.000 1.002 311 A HN 0.473 nan 8.150 nan 0.000 0.502 312 P HA 0.365 nan 4.420 nan 0.000 0.274 312 P C -2.371 174.913 177.300 -0.026 0.000 1.246 312 P CA -1.009 62.074 63.100 -0.029 0.000 0.795 312 P CB -0.394 31.289 31.700 -0.028 0.000 1.006 313 P HA 0.159 nan 4.420 nan 0.000 0.269 313 P C -1.163 176.137 177.300 0.000 0.000 1.209 313 P CA 0.013 63.112 63.100 -0.003 0.000 0.776 313 P CB 0.407 32.112 31.700 0.009 0.000 0.876 314 L N 1.188 122.418 121.223 0.012 0.000 2.408 314 L HA 0.438 4.778 4.340 0.000 0.000 0.268 314 L C -0.493 176.424 176.870 0.078 0.000 0.986 314 L CA -0.681 54.169 54.840 0.017 0.000 0.820 314 L CB 2.166 44.205 42.059 -0.033 0.000 1.303 314 L HN 0.372 nan 8.230 nan 0.000 0.411 315 Q N 3.274 123.117 119.800 0.071 0.000 2.222 315 Q HA 0.669 5.009 4.340 0.000 0.000 0.252 315 Q C -1.518 174.555 176.000 0.120 0.000 0.926 315 Q CA -0.576 55.280 55.803 0.088 0.000 0.899 315 Q CB 1.417 30.164 28.738 0.015 0.000 1.250 315 Q HN 0.641 nan 8.270 nan 0.000 0.441 316 F N -0.030 119.823 119.950 -0.162 0.000 2.685 316 F HA 0.539 5.066 4.527 0.000 0.000 0.315 316 F C -1.959 173.723 175.800 -0.198 0.000 1.126 316 F CA -1.308 56.543 58.000 -0.249 0.000 0.950 316 F CB 1.045 39.986 39.000 -0.098 0.000 1.360 316 F HN 0.332 nan 8.300 nan 0.000 0.469 317 Y N 1.949 122.235 120.300 -0.023 0.000 2.491 317 Y HA 0.393 4.943 4.550 0.000 0.000 0.334 317 Y C -1.936 173.887 175.900 -0.129 0.000 0.969 317 Y CA -2.885 55.137 58.100 -0.129 0.000 1.241 317 Y CB 0.486 38.960 38.460 0.024 0.000 1.105 317 Y HN 0.380 nan 8.280 nan 0.000 0.503 318 P HA -0.132 nan 4.420 nan 0.000 0.225 318 P C -0.111 177.257 177.300 0.114 0.000 1.148 318 P CA 1.267 64.352 63.100 -0.025 0.000 0.779 318 P CB 0.465 32.081 31.700 -0.139 0.000 0.780 319 Q N -0.426 119.428 119.800 0.090 0.000 2.144 319 Q HA 0.457 4.797 4.340 0.000 0.000 0.305 319 Q C 0.204 176.247 176.000 0.072 0.000 0.876 319 Q CA -0.214 55.637 55.803 0.080 0.000 1.130 319 Q CB 0.969 29.735 28.738 0.046 0.000 1.267 319 Q HN 0.140 nan 8.270 nan 0.000 0.433 320 G N 2.287 111.164 108.800 0.128 0.000 2.758 320 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 320 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 320 G C -2.709 172.155 174.900 -0.060 0.000 1.389 320 G CA -1.177 43.975 45.100 0.087 0.000 0.845 320 G HN 0.112 nan 8.290 nan 0.000 0.572 321 P HA 0.217 nan 4.420 nan 0.000 0.268 321 P C 0.385 177.412 177.300 -0.455 0.000 1.208 321 P CA 0.088 62.778 63.100 -0.683 0.000 0.777 321 P CB 0.515 31.786 31.700 -0.716 0.000 0.875 322 R N 0.421 120.684 120.500 -0.396 0.000 2.509 322 R HA 0.273 4.613 4.340 0.000 0.000 0.300 322 R C -0.118 176.195 176.300 0.022 0.000 0.985 322 R CA -0.025 56.003 56.100 -0.120 0.000 1.092 322 R CB -0.127 30.156 30.300 -0.027 0.000 1.237 322 R HN 0.534 nan 8.270 nan 0.000 0.546 323 F N -1.840 118.026 119.950 -0.140 0.000 2.613 323 F HA 0.637 5.164 4.527 0.000 0.000 0.310 323 F C -0.710 175.040 175.800 -0.084 0.000 1.085 323 F CA -1.436 56.506 58.000 -0.096 0.000 0.945 323 F CB 1.235 40.183 39.000 -0.086 0.000 1.298 323 F HN -0.205 nan 8.300 nan 0.000 0.455 324 S N 1.217 116.929 115.700 0.021 0.000 2.503 324 S HA 0.829 5.299 4.470 0.000 0.000 0.301 324 S C -1.303 173.353 174.600 0.093 0.000 1.087 324 S CA -0.741 57.434 58.200 -0.041 0.000 1.042 324 S CB 1.643 64.815 63.200 -0.046 0.000 1.043 324 S HN 0.755 nan 8.310 nan 0.000 0.489 325 V N 2.999 122.967 119.914 0.090 0.000 2.347 325 V HA 0.460 4.580 4.120 0.000 0.000 0.280 325 V C -0.391 175.752 176.094 0.083 0.000 1.021 325 V CA -0.386 61.997 62.300 0.139 0.000 0.847 325 V CB 0.824 32.776 31.823 0.214 0.000 0.990 325 V HN 0.949 nan 8.190 nan 0.000 0.444 326 Q N 3.115 122.946 119.800 0.051 0.000 2.320 326 Q HA 0.570 4.910 4.340 0.000 0.000 0.268 326 Q C 0.872 176.873 176.000 0.001 0.000 1.023 326 Q CA 0.202 56.019 55.803 0.023 0.000 0.744 326 Q CB 2.106 30.843 28.738 -0.000 0.000 1.246 326 Q HN 1.031 nan 8.270 nan 0.000 0.462 327 G N 1.822 110.629 108.800 0.012 0.000 2.601 327 G HA2 -0.362 3.598 3.960 0.000 0.000 0.306 327 G HA3 -0.362 3.598 3.960 0.000 0.000 0.306 327 G C 0.577 175.410 174.900 -0.113 0.000 1.172 327 G CA 0.561 45.646 45.100 -0.026 0.000 0.966 327 G HN 0.535 nan 8.290 nan 0.000 0.542 328 S N 1.377 116.925 115.700 -0.254 0.000 2.578 328 S HA 0.362 4.832 4.470 0.000 0.000 0.231 328 S C 0.804 175.074 174.600 -0.551 0.000 0.994 328 S CA -0.058 57.730 58.200 -0.686 0.000 0.956 328 S CB 0.370 63.231 63.200 -0.564 0.000 0.870 328 S HN 0.553 nan 8.310 nan 0.000 0.494 329 R N 1.138 121.519 120.500 -0.199 0.000 2.532 329 R HA 0.652 4.992 4.340 0.000 0.000 0.295 329 R C -1.113 175.115 176.300 -0.120 0.000 0.968 329 R CA -0.407 55.613 56.100 -0.135 0.000 0.916 329 R CB 1.752 32.002 30.300 -0.083 0.000 1.124 329 R HN 0.023 nan 8.270 nan 0.000 0.463 330 V N 1.238 120.928 119.914 -0.374 0.000 2.715 330 V HA 0.753 4.873 4.120 0.000 0.000 0.310 330 V C -0.525 175.342 176.094 -0.377 0.000 1.054 330 V CA -0.811 61.233 62.300 -0.428 0.000 0.928 330 V CB 1.858 33.154 31.823 -0.877 0.000 1.007 330 V HN 0.928 nan 8.190 nan 0.000 0.437 331 A N 2.769 125.504 122.820 -0.141 0.000 2.427 331 A HA 0.893 5.213 4.320 0.000 0.000 0.298 331 A C -0.317 177.291 177.584 0.040 0.000 1.036 331 A CA -0.164 51.835 52.037 -0.062 0.000 0.701 331 A CB 1.899 20.874 19.000 -0.042 0.000 1.250 331 A HN 1.105 nan 8.150 nan 0.000 0.412 332 S N 0.449 116.186 115.700 0.063 0.000 2.745 332 S HA 0.631 5.102 4.470 0.000 0.000 0.306 332 S C 1.236 175.857 174.600 0.035 0.000 1.137 332 S CA 0.253 58.515 58.200 0.103 0.000 0.900 332 S CB 1.064 64.365 63.200 0.168 0.000 1.176 332 S HN 1.798 nan 8.310 nan 0.000 0.520 333 S N 0.157 115.868 115.700 0.019 0.000 2.419 333 S HA -0.049 4.421 4.470 0.000 0.000 0.235 333 S C 1.479 176.000 174.600 -0.131 0.000 1.019 333 S CA 1.126 59.300 58.200 -0.043 0.000 0.982 333 S CB -0.903 62.278 63.200 -0.031 0.000 0.789 333 S HN 0.642 nan 8.310 nan 0.000 0.490 334 L N -2.104 119.034 121.223 -0.142 0.000 2.388 334 L HA 0.416 4.756 4.340 0.000 0.000 0.209 334 L C 0.419 176.965 176.870 -0.539 0.000 1.061 334 L CA -0.137 54.430 54.840 -0.455 0.000 0.834 334 L CB 0.031 41.858 42.059 -0.387 0.000 1.029 334 L HN 0.299 nan 8.230 nan 0.000 0.473 335 W N -0.721 120.557 121.300 -0.036 0.000 2.689 335 W HA 0.522 5.182 4.660 0.000 0.000 0.340 335 W C -0.240 176.249 176.519 -0.051 0.000 1.060 335 W CA -0.413 56.940 57.345 0.014 0.000 1.218 335 W CB 1.811 31.271 29.460 0.000 0.000 1.410 335 W HN -0.410 nan 8.180 nan 0.000 0.528 336 T N 3.527 118.254 114.554 0.289 0.000 2.921 336 T HA 0.681 5.031 4.350 0.000 0.000 0.297 336 T C -1.329 173.505 174.700 0.223 0.000 1.013 336 T CA -0.404 61.754 62.100 0.097 0.000 0.990 336 T CB 0.667 69.578 68.868 0.070 0.000 1.023 336 T HN 0.293 nan 8.240 nan 0.000 0.447 337 F N -0.245 119.715 119.950 0.017 0.000 2.858 337 F HA 0.789 5.316 4.527 0.000 0.000 0.319 337 F C -1.152 174.680 175.800 0.054 0.000 1.166 337 F CA -1.105 56.905 58.000 0.017 0.000 0.899 337 F CB 1.035 39.998 39.000 -0.061 0.000 1.332 337 F HN 0.370 nan 8.300 nan 0.000 0.461 338 S N 1.142 117.046 115.700 0.340 0.000 2.519 338 S HA 0.780 5.250 4.470 0.000 0.000 0.309 338 S C -1.168 173.633 174.600 0.333 0.000 1.100 338 S CA -0.627 57.695 58.200 0.203 0.000 1.059 338 S CB 0.503 63.822 63.200 0.200 0.000 1.008 338 S HN 0.747 nan 8.310 nan 0.000 0.478 339 F N 2.011 122.075 119.950 0.189 0.000 2.541 339 F HA 1.033 5.560 4.527 0.000 0.000 0.331 339 F C 0.369 176.166 175.800 -0.005 0.000 1.057 339 F CA -0.622 57.439 58.000 0.101 0.000 0.975 339 F CB 1.071 40.103 39.000 0.053 0.000 1.246 339 F HN 0.711 nan 8.300 nan 0.000 0.484 340 G N 0.700 109.607 108.800 0.179 0.000 2.430 340 G HA2 0.524 4.484 3.960 0.000 0.000 0.300 340 G HA3 0.524 4.484 3.960 0.000 0.000 0.300 340 G C -2.861 172.256 174.900 0.361 0.000 1.330 340 G CA -0.917 44.300 45.100 0.195 0.000 0.813 340 G HN 0.809 nan 8.290 nan 0.000 0.487 341 L N 0.955 122.374 121.223 0.327 0.000 2.441 341 L HA 0.730 5.070 4.340 0.000 0.000 0.270 341 L C 0.558 177.482 176.870 0.090 0.000 0.973 341 L CA -0.250 54.605 54.840 0.025 0.000 0.842 341 L CB 1.420 43.124 42.059 -0.592 0.000 1.239 341 L HN 1.016 nan 8.230 nan 0.000 0.406 342 G N 2.690 111.510 108.800 0.034 0.000 2.380 342 G HA2 0.445 4.405 3.960 0.000 0.000 0.262 342 G HA3 0.445 4.405 3.960 0.000 0.000 0.262 342 G C 0.862 175.739 174.900 -0.038 0.000 1.243 342 G CA 0.101 45.246 45.100 0.074 0.000 0.865 342 G HN 1.011 nan 8.290 nan 0.000 0.513 343 A N 2.282 125.078 122.820 -0.039 0.000 1.978 343 A HA 0.005 4.325 4.320 0.000 0.000 0.220 343 A C 1.697 178.962 177.584 -0.531 0.000 1.170 343 A CA 1.463 53.314 52.037 -0.311 0.000 0.636 343 A CB -0.256 18.369 19.000 -0.624 0.000 0.810 343 A HN 0.651 nan 8.150 nan 0.000 0.448 344 F N -0.823 119.174 119.950 0.078 0.000 2.514 344 F HA 0.043 4.570 4.527 0.000 0.000 0.281 344 F C 2.663 178.445 175.800 -0.031 0.000 1.060 344 F CA 0.687 58.716 58.000 0.049 0.000 1.397 344 F CB -0.152 38.877 39.000 0.048 0.000 1.129 344 F HN 0.203 nan 8.300 nan 0.000 0.620 345 S N -0.320 115.436 115.700 0.095 0.000 2.496 345 S HA 0.466 4.936 4.470 0.000 0.000 0.224 345 S C 1.297 175.740 174.600 -0.262 0.000 0.996 345 S CA 0.392 58.545 58.200 -0.078 0.000 0.927 345 S CB -0.426 62.752 63.200 -0.037 0.000 0.774 345 S HN 0.636 nan 8.310 nan 0.000 0.524 346 G N 1.883 110.541 108.800 -0.236 0.000 2.568 346 G HA2 -0.118 3.842 3.960 0.000 0.000 0.222 346 G HA3 -0.118 3.842 3.960 0.000 0.000 0.222 346 G C -3.100 171.600 174.900 -0.332 0.000 1.321 346 G CA -0.585 44.286 45.100 -0.383 0.000 0.893 346 G HN 0.403 nan 8.290 nan 0.000 0.569 347 P HA 0.302 nan 4.420 nan 0.000 0.264 347 P C -0.069 177.139 177.300 -0.153 0.000 1.183 347 P CA 0.717 63.707 63.100 -0.182 0.000 0.763 347 P CB 0.394 31.993 31.700 -0.168 0.000 0.807 348 R N 2.068 122.537 120.500 -0.051 0.000 2.710 348 R HA 0.806 5.146 4.340 0.000 0.000 0.270 348 R C -1.334 174.872 176.300 -0.157 0.000 1.021 348 R CA -1.056 54.938 56.100 -0.178 0.000 0.889 348 R CB 1.279 31.453 30.300 -0.211 0.000 1.243 348 R HN 0.274 nan 8.270 nan 0.000 0.464 349 I N 1.169 121.498 120.570 -0.402 0.000 2.769 349 I HA 0.530 4.700 4.170 0.000 0.000 0.298 349 I C -1.242 174.465 176.117 -0.684 0.000 1.128 349 I CA -0.884 60.249 61.300 -0.278 0.000 1.031 349 I CB 2.278 40.185 38.000 -0.154 0.000 1.235 349 I HN 0.480 nan 8.210 nan 0.000 0.423 350 F N 1.495 121.292 119.950 -0.255 0.000 2.603 350 F HA 0.357 4.884 4.527 0.000 0.000 0.317 350 F C 0.236 175.810 175.800 -0.377 0.000 1.066 350 F CA -0.622 57.009 58.000 -0.615 0.000 0.941 350 F CB 1.364 39.515 39.000 -1.415 0.000 1.291 350 F HN 0.490 nan 8.300 nan 0.000 0.472 351 D N 1.174 121.452 120.400 -0.204 0.000 2.697 351 D HA -0.157 4.483 4.640 0.000 0.000 0.238 351 D C -0.917 175.474 176.300 0.151 0.000 1.152 351 D CA 0.299 54.311 54.000 0.019 0.000 0.666 351 D CB -0.659 40.207 40.800 0.109 0.000 1.037 351 D HN 0.169 nan 8.370 nan 0.000 0.423 352 V N 2.302 122.312 119.914 0.161 0.000 2.415 352 V HA 0.191 4.311 4.120 0.000 0.000 0.267 352 V C 1.151 177.443 176.094 0.331 0.000 1.042 352 V CA 0.366 62.844 62.300 0.297 0.000 1.000 352 V CB 0.719 32.702 31.823 0.267 0.000 1.015 352 V HN 0.136 nan 8.190 nan 0.000 0.478 353 R N 4.608 125.329 120.500 0.368 0.000 2.437 353 R HA 0.469 4.809 4.340 0.000 0.000 0.310 353 R C -1.091 175.361 176.300 0.253 0.000 0.955 353 R CA -0.627 55.638 56.100 0.276 0.000 0.851 353 R CB 2.061 32.465 30.300 0.173 0.000 1.161 353 R HN 0.562 nan 8.270 nan 0.000 0.446 354 F N 3.156 123.089 119.950 -0.029 0.000 2.405 354 F HA 0.112 4.640 4.527 0.000 0.000 0.355 354 F C 0.395 176.129 175.800 -0.109 0.000 1.121 354 F CA -0.073 57.720 58.000 -0.345 0.000 1.112 354 F CB 0.850 39.614 39.000 -0.394 0.000 1.126 354 F HN 0.616 nan 8.300 nan 0.000 0.481 355 Q N 4.592 123.979 119.800 -0.688 0.000 2.435 355 Q HA -0.250 4.090 4.340 0.000 0.000 0.312 355 Q C 1.115 177.032 176.000 -0.140 0.000 1.333 355 Q CA 0.879 56.422 55.803 -0.434 0.000 0.883 355 Q CB -1.697 26.769 28.738 -0.454 0.000 1.170 355 Q HN 1.319 nan 8.270 nan 0.000 0.443 356 G N -0.089 108.664 108.800 -0.079 0.000 2.234 356 G HA2 -0.371 3.589 3.960 0.000 0.000 0.260 356 G HA3 -0.371 3.589 3.960 0.000 0.000 0.260 356 G C -0.093 174.841 174.900 0.057 0.000 0.987 356 G CA 0.474 45.571 45.100 -0.006 0.000 0.625 356 G HN 0.530 nan 8.290 nan 0.000 0.532 357 E N 0.366 120.631 120.200 0.108 0.000 2.133 357 E HA 0.570 4.920 4.350 0.000 0.000 0.274 357 E C 0.505 177.229 176.600 0.207 0.000 0.930 357 E CA -1.043 55.459 56.400 0.170 0.000 0.770 357 E CB 0.567 30.406 29.700 0.232 0.000 1.104 357 E HN 0.357 nan 8.360 nan 0.000 0.403 358 R N 4.751 125.360 120.500 0.181 0.000 2.449 358 R HA 0.062 4.402 4.340 0.000 0.000 0.296 358 R C 0.346 176.737 176.300 0.152 0.000 1.047 358 R CA 0.210 56.416 56.100 0.177 0.000 1.018 358 R CB 0.380 30.783 30.300 0.172 0.000 0.962 358 R HN 0.757 nan 8.270 nan 0.000 0.428 359 L N 3.819 125.093 121.223 0.084 0.000 2.316 359 L HA 0.220 4.560 4.340 0.000 0.000 0.207 359 L C -0.112 176.711 176.870 -0.079 0.000 1.070 359 L CA 0.203 54.969 54.840 -0.124 0.000 0.820 359 L CB 0.554 42.442 42.059 -0.285 0.000 0.992 359 L HN 0.357 nan 8.230 nan 0.000 0.466 360 V N -1.475 118.450 119.914 0.019 0.000 2.686 360 V HA 0.118 4.238 4.120 0.000 0.000 0.306 360 V C 0.058 176.196 176.094 0.073 0.000 1.065 360 V CA -0.693 61.618 62.300 0.017 0.000 0.894 360 V CB 2.163 33.964 31.823 -0.037 0.000 1.004 360 V HN 0.070 nan 8.190 nan 0.000 0.424 361 Y N 3.336 123.629 120.300 -0.011 0.000 2.243 361 Y HA 0.209 4.759 4.550 0.000 0.000 0.293 361 Y C 0.968 176.848 175.900 -0.034 0.000 1.124 361 Y CA 1.765 59.877 58.100 0.021 0.000 1.159 361 Y CB 0.557 39.050 38.460 0.055 0.000 1.008 361 Y HN 0.689 nan 8.280 nan 0.000 0.527 362 E N 0.108 120.223 120.200 -0.142 0.000 2.321 362 E HA 0.394 4.744 4.350 0.000 0.000 0.281 362 E C -1.936 174.461 176.600 -0.338 0.000 0.910 362 E CA -0.558 55.579 56.400 -0.438 0.000 0.770 362 E CB 1.294 30.814 29.700 -0.299 0.000 1.225 362 E HN 0.173 nan 8.360 nan 0.000 0.417 363 I N 3.433 123.750 120.570 -0.421 0.000 2.418 363 I HA 0.342 4.512 4.170 0.000 0.000 0.287 363 I C -0.749 175.184 176.117 -0.306 0.000 1.008 363 I CA -0.510 60.628 61.300 -0.270 0.000 1.104 363 I CB 1.882 39.766 38.000 -0.193 0.000 1.264 363 I HN 0.498 nan 8.210 nan 0.000 0.438 364 S N 6.091 121.661 115.700 -0.216 0.000 2.541 364 S HA 0.617 5.087 4.470 0.000 0.000 0.280 364 S C -0.862 173.623 174.600 -0.192 0.000 1.112 364 S CA -0.871 57.198 58.200 -0.217 0.000 0.925 364 S CB 2.030 65.088 63.200 -0.238 0.000 1.067 364 S HN 0.480 nan 8.310 nan 0.000 0.479 365 L N 2.573 123.596 121.223 -0.334 0.000 2.455 365 L HA 0.333 4.673 4.340 0.000 0.000 0.272 365 L C 1.061 177.596 176.870 -0.558 0.000 1.174 365 L CA 0.807 55.207 54.840 -0.734 0.000 0.869 365 L CB 0.223 41.676 42.059 -1.010 0.000 1.130 365 L HN 0.840 nan 8.230 nan 0.000 0.474 366 Q N 2.304 121.734 119.800 -0.616 0.000 2.481 366 Q HA 0.247 4.587 4.340 0.000 0.000 0.219 366 Q C -0.133 175.625 176.000 -0.404 0.000 0.920 366 Q CA 0.471 56.054 55.803 -0.366 0.000 0.915 366 Q CB 0.620 29.226 28.738 -0.219 0.000 1.057 366 Q HN 0.728 nan 8.270 nan 0.000 0.581 367 E N -1.075 118.752 120.200 -0.621 0.000 2.390 367 E HA 0.637 4.987 4.350 0.000 0.000 0.280 367 E C -2.035 174.256 176.600 -0.514 0.000 0.992 367 E CA -0.423 55.687 56.400 -0.483 0.000 0.790 367 E CB 1.847 31.301 29.700 -0.410 0.000 1.248 367 E HN 0.103 nan 8.360 nan 0.000 0.447 368 A N 2.330 125.015 122.820 -0.224 0.000 2.386 368 A HA 0.853 5.173 4.320 0.000 0.000 0.311 368 A C -1.728 175.942 177.584 0.143 0.000 1.068 368 A CA -0.623 51.340 52.037 -0.123 0.000 0.743 368 A CB 1.053 19.855 19.000 -0.330 0.000 1.258 368 A HN 0.510 nan 8.150 nan 0.000 0.429 369 L N 1.428 122.792 121.223 0.235 0.000 2.431 369 L HA 0.871 5.211 4.340 0.000 0.000 0.266 369 L C -0.505 176.430 176.870 0.108 0.000 0.978 369 L CA -0.021 54.901 54.840 0.137 0.000 0.822 369 L CB 2.047 44.098 42.059 -0.012 0.000 1.310 369 L HN 1.179 nan 8.230 nan 0.000 0.409 370 A N 6.045 128.909 122.820 0.075 0.000 2.375 370 A HA 0.785 5.105 4.320 0.000 0.000 0.295 370 A C -1.251 176.278 177.584 -0.092 0.000 1.066 370 A CA -0.326 51.710 52.037 -0.002 0.000 0.722 370 A CB 0.784 19.904 19.000 0.201 0.000 1.206 370 A HN 0.620 nan 8.150 nan 0.000 0.435 371 I N 2.688 123.107 120.570 -0.252 0.000 2.389 371 I HA 0.346 4.516 4.170 0.000 0.000 0.288 371 I C -1.132 174.843 176.117 -0.236 0.000 0.999 371 I CA -0.459 60.728 61.300 -0.188 0.000 1.129 371 I CB 1.394 39.282 38.000 -0.186 0.000 1.288 371 I HN 0.671 nan 8.210 nan 0.000 0.444 372 Y N 3.567 123.822 120.300 -0.075 0.000 2.419 372 Y HA 0.673 5.223 4.550 0.000 0.000 0.328 372 Y C 0.814 176.695 175.900 -0.031 0.000 1.162 372 Y CA -0.332 57.741 58.100 -0.044 0.000 1.174 372 Y CB 2.117 40.517 38.460 -0.099 0.000 1.228 372 Y HN 0.533 nan 8.280 nan 0.000 0.473 373 G N -0.314 108.582 108.800 0.160 0.000 2.498 373 G HA2 0.682 4.642 3.960 0.000 0.000 0.312 373 G HA3 0.682 4.642 3.960 0.000 0.000 0.312 373 G C -0.852 174.102 174.900 0.090 0.000 1.230 373 G CA -0.513 44.666 45.100 0.132 0.000 0.968 373 G HN 0.931 nan 8.290 nan 0.000 0.481 374 G N -0.512 108.213 108.800 -0.125 0.000 2.356 374 G HA2 0.310 4.270 3.960 0.000 0.000 0.294 374 G HA3 0.310 4.270 3.960 0.000 0.000 0.294 374 G C -0.060 174.341 174.900 -0.832 0.000 1.423 374 G CA -0.424 44.475 45.100 -0.334 0.000 0.806 374 G HN 0.443 nan 8.290 nan 0.000 0.527 375 N N -0.661 117.680 118.700 -0.599 0.000 2.333 375 N HA 0.124 4.864 4.740 0.000 0.000 0.178 375 N C 0.877 176.255 175.510 -0.219 0.000 1.018 375 N CA 0.839 53.596 53.050 -0.488 0.000 0.882 375 N CB 0.226 38.466 38.487 -0.412 0.000 0.984 375 N HN 0.395 nan 8.380 nan 0.000 0.434 376 S N 0.357 115.881 115.700 -0.294 0.000 2.565 376 S HA 0.339 4.809 4.470 0.000 0.000 0.290 376 S C -1.730 172.443 174.600 -0.712 0.000 1.150 376 S CA -1.251 56.615 58.200 -0.556 0.000 1.058 376 S CB 2.271 65.279 63.200 -0.321 0.000 1.032 376 S HN -0.006 nan 8.310 nan 0.000 0.510 377 P HA -0.204 nan 4.420 nan 0.000 0.216 377 P C 1.285 178.012 177.300 -0.955 0.000 1.154 377 P CA 1.641 64.055 63.100 -1.143 0.000 0.865 377 P CB 0.027 30.453 31.700 -2.124 0.000 0.789 378 A N 0.068 122.422 122.820 -0.776 0.000 1.834 378 A HA -0.170 4.150 4.320 0.000 0.000 0.216 378 A C 2.399 179.818 177.584 -0.275 0.000 1.203 378 A CA 2.679 54.511 52.037 -0.342 0.000 0.621 378 A CB -1.726 17.220 19.000 -0.090 0.000 0.841 378 A HN 0.197 nan 8.150 nan 0.000 0.446 379 A N -0.994 121.663 122.820 -0.270 0.000 1.873 379 A HA -0.254 4.066 4.320 0.000 0.000 0.218 379 A C 2.319 179.810 177.584 -0.155 0.000 1.193 379 A CA 2.370 54.275 52.037 -0.219 0.000 0.629 379 A CB -0.712 18.188 19.000 -0.166 0.000 0.826 379 A HN 0.620 nan 8.150 nan 0.000 0.447 380 M N -0.209 119.255 119.600 -0.227 0.000 2.146 380 M HA -0.214 4.266 4.480 0.000 0.000 0.256 380 M C 1.563 177.807 176.300 -0.093 0.000 1.075 380 M CA 2.334 57.522 55.300 -0.186 0.000 1.082 380 M CB -0.229 32.211 32.600 -0.267 0.000 1.355 380 M HN 0.651 nan 8.290 nan 0.000 0.402 381 T N -4.333 110.163 114.554 -0.096 0.000 3.200 381 T HA 0.203 4.553 4.350 0.000 0.000 0.284 381 T C 0.239 174.926 174.700 -0.021 0.000 1.009 381 T CA -0.401 61.693 62.100 -0.010 0.000 0.907 381 T CB -0.255 68.650 68.868 0.062 0.000 1.120 381 T HN 0.089 nan 8.240 nan 0.000 0.534 382 T N 3.685 118.187 114.554 -0.087 0.000 2.752 382 T HA 0.452 4.802 4.350 0.000 0.000 0.295 382 T C -0.183 174.450 174.700 -0.112 0.000 0.923 382 T CA -0.264 61.714 62.100 -0.204 0.000 1.112 382 T CB 0.329 68.943 68.868 -0.423 0.000 0.884 382 T HN 0.217 nan 8.240 nan 0.000 0.525 383 R N 2.813 123.212 120.500 -0.168 0.000 2.472 383 R HA 0.283 4.623 4.340 0.000 0.000 0.294 383 R C -1.163 175.074 176.300 -0.105 0.000 1.243 383 R CA -0.467 55.555 56.100 -0.131 0.000 1.023 383 R CB 0.532 30.770 30.300 -0.102 0.000 1.157 383 R HN 0.646 nan 8.270 nan 0.000 0.530 384 Y N 1.181 121.531 120.300 0.084 0.000 2.377 384 Y HA 0.220 4.770 4.550 0.000 0.000 0.330 384 Y C 0.622 176.566 175.900 0.074 0.000 1.108 384 Y CA -0.597 57.597 58.100 0.156 0.000 1.308 384 Y CB 1.119 39.717 38.460 0.229 0.000 1.216 384 Y HN 0.137 nan 8.280 nan 0.000 0.518 385 V N 4.509 124.592 119.914 0.281 0.000 2.239 385 V HA 0.038 4.158 4.120 0.000 0.000 0.267 385 V C 0.196 176.433 176.094 0.239 0.000 1.056 385 V CA -0.662 61.751 62.300 0.188 0.000 0.830 385 V CB 0.702 32.611 31.823 0.144 0.000 1.090 385 V HN 0.867 nan 8.190 nan 0.000 0.459 386 D N 3.809 124.371 120.400 0.270 0.000 2.311 386 D HA -0.114 4.526 4.640 0.000 0.000 0.212 386 D C 2.110 178.571 176.300 0.269 0.000 0.972 386 D CA 1.474 55.671 54.000 0.328 0.000 0.887 386 D CB 0.248 41.195 40.800 0.246 0.000 0.915 386 D HN 0.672 nan 8.370 nan 0.000 0.497 387 G N 0.872 109.765 108.800 0.155 0.000 2.442 387 G HA2 -0.228 3.732 3.960 0.000 0.000 0.219 387 G HA3 -0.228 3.732 3.960 0.000 0.000 0.219 387 G C 1.723 176.701 174.900 0.130 0.000 1.141 387 G CA 0.943 46.127 45.100 0.139 0.000 0.763 387 G HN 0.387 nan 8.290 nan 0.000 0.554 388 G N -0.065 108.737 108.800 0.004 0.000 2.479 388 G HA2 -0.078 3.882 3.960 0.000 0.000 0.220 388 G HA3 -0.078 3.882 3.960 0.000 0.000 0.220 388 G C 1.453 176.220 174.900 -0.221 0.000 1.115 388 G CA 0.767 45.748 45.100 -0.199 0.000 0.757 388 G HN 0.447 nan 8.290 nan 0.000 0.560 389 F N 0.166 120.232 119.950 0.193 0.000 2.315 389 F HA 0.415 4.942 4.527 0.000 0.000 0.284 389 F C 1.538 177.646 175.800 0.513 0.000 1.049 389 F CA 0.857 59.015 58.000 0.263 0.000 1.323 389 F CB 0.206 39.135 39.000 -0.118 0.000 1.113 389 F HN 0.290 nan 8.300 nan 0.000 0.544 390 G N 0.345 109.501 108.800 0.594 0.000 3.305 390 G HA2 -0.070 3.890 3.960 0.000 0.000 0.649 390 G HA3 -0.070 3.890 3.960 0.000 0.000 0.649 390 G C -0.165 174.936 174.900 0.336 0.000 1.255 390 G CA -0.690 44.711 45.100 0.503 0.000 1.137 390 G HN 0.001 nan 8.290 nan 0.000 0.535 391 M N 2.057 121.745 119.600 0.147 0.000 2.296 391 M HA 0.123 4.603 4.480 0.000 0.000 0.265 391 M C 2.500 178.770 176.300 -0.050 0.000 1.064 391 M CA 2.717 58.058 55.300 0.068 0.000 1.109 391 M CB -0.257 32.266 32.600 -0.127 0.000 1.396 391 M HN 0.812 nan 8.290 nan 0.000 0.430 392 G N -0.770 107.922 108.800 -0.180 0.000 2.394 392 G HA2 -0.189 3.771 3.960 0.000 0.000 0.214 392 G HA3 -0.189 3.771 3.960 0.000 0.000 0.214 392 G C 1.590 176.326 174.900 -0.274 0.000 1.176 392 G CA 0.607 45.436 45.100 -0.451 0.000 0.786 392 G HN 0.416 nan 8.290 nan 0.000 0.533 393 K N -0.602 119.748 120.400 -0.084 0.000 2.113 393 K HA -0.116 4.204 4.320 0.000 0.000 0.208 393 K C 1.334 177.786 176.600 -0.247 0.000 1.047 393 K CA 1.147 57.346 56.287 -0.148 0.000 0.928 393 K CB -0.241 32.221 32.500 -0.063 0.000 0.716 393 K HN 0.476 nan 8.250 nan 0.000 0.446 394 Y N 0.464 120.762 120.300 -0.005 0.000 2.571 394 Y HA 0.142 4.692 4.550 0.000 0.000 0.275 394 Y C 0.185 176.088 175.900 0.006 0.000 1.179 394 Y CA -0.454 57.670 58.100 0.039 0.000 1.242 394 Y CB 0.668 39.188 38.460 0.100 0.000 1.126 394 Y HN -0.150 nan 8.280 nan 0.000 0.524 395 T N 1.500 116.055 114.554 0.002 0.000 2.940 395 T HA 0.142 4.492 4.350 0.000 0.000 0.309 395 T C 0.554 175.238 174.700 -0.028 0.000 1.056 395 T CA 0.332 62.396 62.100 -0.061 0.000 1.137 395 T CB 0.423 69.116 68.868 -0.292 0.000 0.976 395 T HN 0.328 nan 8.240 nan 0.000 0.547 396 T N 1.597 116.143 114.554 -0.013 0.000 2.912 396 T HA 0.609 4.959 4.350 0.000 0.000 0.288 396 T C -2.929 171.739 174.700 -0.053 0.000 1.030 396 T CA -2.352 59.740 62.100 -0.013 0.000 1.020 396 T CB 1.562 70.447 68.868 0.027 0.000 1.056 396 T HN 0.213 nan 8.240 nan 0.000 0.480 397 P HA 0.175 nan 4.420 nan 0.000 0.267 397 P C -0.649 176.588 177.300 -0.106 0.000 1.200 397 P CA -0.319 62.684 63.100 -0.162 0.000 0.772 397 P CB 0.455 31.937 31.700 -0.363 0.000 0.855 398 L N 2.039 123.223 121.223 -0.066 0.000 2.276 398 L HA 0.255 4.595 4.340 0.000 0.000 0.286 398 L C 0.863 177.709 176.870 -0.040 0.000 1.061 398 L CA -0.318 54.537 54.840 0.025 0.000 0.807 398 L CB 0.609 42.780 42.059 0.187 0.000 1.177 398 L HN 0.252 nan 8.230 nan 0.000 0.429 399 T N 3.604 118.198 114.554 0.067 0.000 2.727 399 T HA 0.128 4.478 4.350 0.000 0.000 0.295 399 T C 0.345 175.105 174.700 0.100 0.000 0.915 399 T CA -0.298 61.893 62.100 0.152 0.000 1.066 399 T CB 0.178 69.186 68.868 0.234 0.000 0.891 399 T HN 0.431 nan 8.240 nan 0.000 0.516 400 R N 2.537 123.013 120.500 -0.041 0.000 2.449 400 R HA 0.322 4.662 4.340 0.000 0.000 0.296 400 R C 1.286 177.682 176.300 0.161 0.000 1.047 400 R CA 1.180 57.199 56.100 -0.136 0.000 1.018 400 R CB -0.319 29.607 30.300 -0.623 0.000 0.962 400 R HN 0.952 nan 8.270 nan 0.000 0.428 401 G N 2.201 111.105 108.800 0.173 0.000 2.234 401 G HA2 -0.282 3.678 3.960 0.000 0.000 0.235 401 G HA3 -0.282 3.678 3.960 0.000 0.000 0.235 401 G C 0.319 175.296 174.900 0.129 0.000 0.997 401 G CA 0.203 45.455 45.100 0.254 0.000 0.623 401 G HN 0.496 nan 8.290 nan 0.000 0.514 402 V N 0.263 120.239 119.914 0.103 0.000 2.870 402 V HA 0.167 4.287 4.120 0.000 0.000 0.232 402 V C 2.208 178.316 176.094 0.023 0.000 1.161 402 V CA 1.711 64.040 62.300 0.047 0.000 1.204 402 V CB -0.171 31.680 31.823 0.047 0.000 1.003 402 V HN 0.194 nan 8.190 nan 0.000 0.499 403 D N -0.017 120.414 120.400 0.052 0.000 2.117 403 D HA -0.029 4.611 4.640 0.000 0.000 0.198 403 D C 0.639 176.958 176.300 0.032 0.000 0.982 403 D CA 1.184 55.210 54.000 0.043 0.000 0.828 403 D CB 0.038 40.885 40.800 0.078 0.000 0.967 403 D HN 0.428 nan 8.370 nan 0.000 0.464 404 c N 0.579 119.205 118.600 0.044 0.000 2.913 404 c HA 0.477 5.047 4.570 0.000 0.000 0.322 404 c C -2.268 171.716 174.090 -0.178 0.000 1.292 404 c CA -1.764 54.475 56.329 -0.150 0.000 1.649 404 c CB 1.972 44.383 42.510 -0.165 0.000 2.139 404 c HN 0.100 nan 8.230 nan 0.000 0.475 405 P HA -0.019 nan 4.420 nan 0.000 0.268 405 P C 0.017 177.318 177.300 0.002 0.000 1.208 405 P CA 0.421 63.392 63.100 -0.215 0.000 0.777 405 P CB 0.524 32.013 31.700 -0.351 0.000 0.875 406 Y N 1.829 122.134 120.300 0.009 0.000 2.114 406 Y HA -0.163 4.387 4.550 0.000 0.000 0.282 406 Y C 1.919 177.915 175.900 0.159 0.000 1.165 406 Y CA 1.733 59.900 58.100 0.111 0.000 1.148 406 Y CB -0.348 38.158 38.460 0.076 0.000 0.972 406 Y HN 0.170 nan 8.280 nan 0.000 0.504 407 L N 0.462 121.829 121.223 0.240 0.000 2.737 407 L HA 0.258 4.598 4.340 0.000 0.000 0.236 407 L C 0.693 177.691 176.870 0.213 0.000 1.219 407 L CA -0.382 54.580 54.840 0.203 0.000 1.021 407 L CB -0.733 41.375 42.059 0.082 0.000 1.291 407 L HN 0.137 nan 8.230 nan 0.000 0.470 408 A N -0.462 122.429 122.820 0.119 0.000 2.304 408 A HA 0.471 4.791 4.320 0.000 0.000 0.271 408 A C 0.365 177.938 177.584 -0.019 0.000 1.091 408 A CA -0.212 51.861 52.037 0.059 0.000 0.812 408 A CB 0.273 19.098 19.000 -0.291 0.000 1.056 408 A HN 0.203 nan 8.150 nan 0.000 0.489 409 T N 1.871 116.487 114.554 0.104 0.000 2.761 409 T HA 0.402 4.752 4.350 0.000 0.000 0.296 409 T C -0.854 173.778 174.700 -0.113 0.000 0.934 409 T CA 0.779 62.933 62.100 0.088 0.000 1.091 409 T CB -0.312 68.691 68.868 0.226 0.000 0.896 409 T HN 0.354 nan 8.240 nan 0.000 0.515 410 Y N 1.562 121.943 120.300 0.136 0.000 2.360 410 Y HA 0.567 5.117 4.550 0.000 0.000 0.337 410 Y C 0.105 176.096 175.900 0.153 0.000 1.039 410 Y CA -0.939 57.233 58.100 0.119 0.000 1.109 410 Y CB 1.417 39.899 38.460 0.036 0.000 1.201 410 Y HN 0.317 nan 8.280 nan 0.000 0.458 411 V N 3.081 123.213 119.914 0.363 0.000 2.709 411 V HA 0.309 4.429 4.120 0.000 0.000 0.308 411 V C -0.731 175.617 176.094 0.424 0.000 1.062 411 V CA -1.157 61.375 62.300 0.387 0.000 0.901 411 V CB 1.862 33.969 31.823 0.473 0.000 1.003 411 V HN 0.657 nan 8.190 nan 0.000 0.425 412 D N 1.521 122.108 120.400 0.312 0.000 2.383 412 D HA 0.402 5.042 4.640 0.000 0.000 0.248 412 D C -0.820 175.673 176.300 0.321 0.000 1.170 412 D CA 0.014 54.135 54.000 0.201 0.000 0.977 412 D CB 1.308 42.115 40.800 0.013 0.000 1.120 412 D HN 0.588 nan 8.370 nan 0.000 0.481 413 W N 0.844 122.109 121.300 -0.058 0.000 2.883 413 W HA 0.297 4.957 4.660 0.000 0.000 0.335 413 W C -1.100 175.319 176.519 -0.167 0.000 1.083 413 W CA -0.449 56.915 57.345 0.031 0.000 1.233 413 W CB 0.922 30.463 29.460 0.135 0.000 1.412 413 W HN 0.254 nan 8.180 nan 0.000 0.490 414 H N 5.751 124.571 119.070 -0.416 0.000 2.492 414 H HA 0.612 5.168 4.556 0.000 0.000 0.345 414 H C -0.903 173.903 175.328 -0.871 0.000 1.136 414 H CA -0.548 55.196 56.048 -0.508 0.000 1.202 414 H CB 1.803 31.392 29.762 -0.288 0.000 1.524 414 H HN 0.429 nan 8.280 nan 0.000 0.506 415 F N 0.605 120.157 119.950 -0.664 0.000 2.654 415 F HA 0.463 4.990 4.527 0.000 0.000 0.308 415 F C -2.016 173.592 175.800 -0.320 0.000 1.108 415 F CA -1.289 56.313 58.000 -0.664 0.000 0.957 415 F CB 1.372 39.797 39.000 -0.958 0.000 1.309 415 F HN 0.260 nan 8.300 nan 0.000 0.446 416 L N 4.363 125.524 121.223 -0.103 0.000 2.454 416 L HA 0.670 5.010 4.340 0.000 0.000 0.258 416 L C -1.952 174.919 176.870 0.002 0.000 1.025 416 L CA -0.771 54.008 54.840 -0.100 0.000 0.901 416 L CB 1.043 43.038 42.059 -0.108 0.000 1.210 416 L HN 0.737 nan 8.230 nan 0.000 0.457 417 L N 4.086 125.372 121.223 0.105 0.000 2.439 417 L HA 0.486 4.826 4.340 0.000 0.000 0.270 417 L C 0.209 177.090 176.870 0.018 0.000 0.972 417 L CA -0.759 54.074 54.840 -0.012 0.000 0.836 417 L CB 1.976 44.029 42.059 -0.010 0.000 1.255 417 L HN 0.494 nan 8.230 nan 0.000 0.404 418 E N 1.208 121.339 120.200 -0.115 0.000 2.360 418 E HA -0.219 4.131 4.350 0.000 0.000 0.238 418 E C -0.384 176.284 176.600 0.113 0.000 1.186 418 E CA 0.868 57.287 56.400 0.031 0.000 0.719 418 E CB -0.929 28.847 29.700 0.128 0.000 1.236 418 E HN 0.745 nan 8.360 nan 0.000 0.386 419 S N -2.050 113.680 115.700 0.050 0.000 2.636 419 S HA 0.326 4.796 4.470 0.000 0.000 0.268 419 S C 0.331 174.936 174.600 0.007 0.000 1.159 419 S CA -1.081 57.145 58.200 0.043 0.000 0.815 419 S CB 1.647 64.868 63.200 0.034 0.000 1.130 419 S HN 0.055 nan 8.310 nan 0.000 0.471 420 Q N -0.206 119.597 119.800 0.005 0.000 2.392 420 Q HA 0.373 4.713 4.340 0.000 0.000 0.203 420 Q C 0.446 176.430 176.000 -0.028 0.000 0.917 420 Q CA 0.636 56.436 55.803 -0.005 0.000 0.939 420 Q CB 0.689 29.431 28.738 0.007 0.000 1.063 420 Q HN 0.804 nan 8.270 nan 0.000 0.516 421 A N 2.427 125.217 122.820 -0.050 0.000 2.414 421 A HA 0.611 4.931 4.320 0.000 0.000 0.306 421 A C -2.593 174.899 177.584 -0.152 0.000 1.054 421 A CA -1.644 50.344 52.037 -0.082 0.000 0.724 421 A CB 1.286 20.246 19.000 -0.067 0.000 1.267 421 A HN -0.158 nan 8.150 nan 0.000 0.418 422 P HA 0.377 nan 4.420 nan 0.000 0.274 422 P C -0.796 176.270 177.300 -0.390 0.000 1.231 422 P CA 0.097 63.012 63.100 -0.309 0.000 0.790 422 P CB 0.915 32.469 31.700 -0.244 0.000 0.951 423 K N 0.122 120.090 120.400 -0.720 0.000 2.372 423 K HA 0.682 5.002 4.320 0.000 0.000 0.251 423 K C -0.587 175.599 176.600 -0.690 0.000 1.055 423 K CA -0.713 55.168 56.287 -0.676 0.000 0.879 423 K CB 1.573 33.642 32.500 -0.718 0.000 1.384 423 K HN 0.291 nan 8.250 nan 0.000 0.465 424 T N 0.966 115.340 114.554 -0.300 0.000 2.886 424 T HA 0.482 4.832 4.350 0.000 0.000 0.292 424 T C -0.606 174.176 174.700 0.137 0.000 1.012 424 T CA -0.645 61.393 62.100 -0.105 0.000 0.982 424 T CB 0.852 69.672 68.868 -0.081 0.000 1.018 424 T HN 0.315 nan 8.240 nan 0.000 0.451 425 I N 3.442 124.156 120.570 0.240 0.000 2.307 425 I HA 0.324 4.494 4.170 0.000 0.000 0.289 425 I C 0.755 176.914 176.117 0.070 0.000 1.021 425 I CA -0.764 60.650 61.300 0.190 0.000 1.224 425 I CB 0.705 38.858 38.000 0.255 0.000 1.376 425 I HN 0.319 nan 8.210 nan 0.000 0.470 426 R N 4.958 125.451 120.500 -0.012 0.000 2.594 426 R HA 0.104 4.444 4.340 0.000 0.000 0.272 426 R C -0.311 175.960 176.300 -0.048 0.000 1.074 426 R CA -0.420 55.654 56.100 -0.043 0.000 1.105 426 R CB 0.234 30.474 30.300 -0.100 0.000 1.008 426 R HN 0.573 nan 8.270 nan 0.000 0.472 427 D N 0.561 120.973 120.400 0.020 0.000 2.708 427 D HA -0.203 4.437 4.640 0.000 0.000 0.236 427 D C 0.752 177.104 176.300 0.086 0.000 1.146 427 D CA 1.272 55.317 54.000 0.075 0.000 0.662 427 D CB -0.950 39.771 40.800 -0.131 0.000 1.059 427 D HN 0.750 nan 8.370 nan 0.000 0.428 428 A N -1.040 121.824 122.820 0.073 0.000 1.930 428 A HA 0.159 4.479 4.320 0.000 0.000 0.215 428 A C 0.757 178.194 177.584 -0.246 0.000 1.176 428 A CA 0.743 52.702 52.037 -0.130 0.000 0.632 428 A CB 0.164 19.027 19.000 -0.228 0.000 0.819 428 A HN 0.214 nan 8.150 nan 0.000 0.445 429 F N -1.031 119.005 119.950 0.143 0.000 2.507 429 F HA 0.521 5.048 4.527 0.000 0.000 0.327 429 F C 0.360 176.186 175.800 0.043 0.000 1.068 429 F CA -1.087 56.953 58.000 0.065 0.000 0.965 429 F CB 1.484 40.483 39.000 -0.000 0.000 1.192 429 F HN 0.256 nan 8.300 nan 0.000 0.476 430 c N 0.941 119.636 118.600 0.158 0.000 2.498 430 c HA 0.957 5.527 4.570 0.000 0.000 0.316 430 c C -0.984 173.113 174.090 0.013 0.000 1.209 430 c CA -0.967 55.336 56.329 -0.042 0.000 1.518 430 c CB 0.573 42.958 42.510 -0.208 0.000 2.147 430 c HN 0.640 nan 8.230 nan 0.000 0.483 431 V N 3.933 123.841 119.914 -0.009 0.000 2.540 431 V HA 0.891 5.011 4.120 0.000 0.000 0.302 431 V C -0.361 175.803 176.094 0.117 0.000 1.035 431 V CA -0.177 62.065 62.300 -0.097 0.000 0.873 431 V CB 1.228 32.956 31.823 -0.158 0.000 0.992 431 V HN 1.069 nan 8.190 nan 0.000 0.428 432 F N 0.649 120.453 119.950 -0.244 0.000 2.703 432 F HA 0.680 5.207 4.527 0.000 0.000 0.308 432 F C -0.869 174.872 175.800 -0.099 0.000 1.126 432 F CA -0.956 57.039 58.000 -0.008 0.000 0.959 432 F CB 1.372 40.445 39.000 0.121 0.000 1.297 432 F HN 0.396 nan 8.300 nan 0.000 0.441 433 E N 1.170 121.567 120.200 0.328 0.000 2.277 433 E HA 0.421 4.771 4.350 0.000 0.000 0.274 433 E C -1.429 175.438 176.600 0.446 0.000 1.022 433 E CA -0.858 55.687 56.400 0.241 0.000 0.853 433 E CB 1.905 31.794 29.700 0.314 0.000 1.086 433 E HN 0.619 nan 8.360 nan 0.000 0.397 434 Q N 2.732 122.690 119.800 0.264 0.000 2.274 434 Q HA 0.166 4.506 4.340 0.000 0.000 0.268 434 Q C -1.321 174.786 176.000 0.178 0.000 1.015 434 Q CA -0.708 55.265 55.803 0.283 0.000 0.775 434 Q CB 1.143 30.083 28.738 0.336 0.000 1.256 434 Q HN 0.332 nan 8.270 nan 0.000 0.442 435 N N 3.304 122.101 118.700 0.162 0.000 2.431 435 N HA -0.006 4.734 4.740 0.000 0.000 0.265 435 N C 0.120 175.697 175.510 0.112 0.000 1.184 435 N CA 0.298 53.423 53.050 0.124 0.000 0.943 435 N CB 1.038 39.586 38.487 0.101 0.000 1.080 435 N HN 0.666 nan 8.380 nan 0.000 0.477 436 Q N 2.845 122.711 119.800 0.110 0.000 2.291 436 Q HA -0.002 4.338 4.340 0.000 0.000 0.205 436 Q C 0.996 177.049 176.000 0.089 0.000 0.970 436 Q CA 0.975 56.841 55.803 0.104 0.000 0.876 436 Q CB -0.258 28.551 28.738 0.118 0.000 0.935 436 Q HN 0.923 nan 8.270 nan 0.000 0.455 437 G N 0.731 109.582 108.800 0.085 0.000 2.143 437 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 437 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 437 G C -0.247 174.695 174.900 0.071 0.000 0.991 437 G CA 0.630 45.773 45.100 0.072 0.000 0.689 437 G HN 0.322 nan 8.290 nan 0.000 0.522 438 L N 0.490 121.763 121.223 0.083 0.000 2.409 438 L HA 0.844 5.184 4.340 0.000 0.000 0.262 438 L C -2.264 174.663 176.870 0.095 0.000 0.992 438 L CA -2.278 52.611 54.840 0.081 0.000 0.817 438 L CB 2.122 44.227 42.059 0.077 0.000 1.350 438 L HN -0.096 nan 8.230 nan 0.000 0.411 439 P HA 0.069 nan 4.420 nan 0.000 0.276 439 P C 0.281 177.635 177.300 0.089 0.000 1.230 439 P CA -0.293 62.871 63.100 0.107 0.000 0.776 439 P CB 1.269 33.040 31.700 0.119 0.000 0.888 440 L N 3.577 124.857 121.223 0.094 0.000 2.072 440 L HA 0.008 4.348 4.340 0.000 0.000 0.205 440 L C 0.936 177.836 176.870 0.051 0.000 1.079 440 L CA 1.721 56.609 54.840 0.081 0.000 0.752 440 L CB -0.291 41.828 42.059 0.100 0.000 0.906 440 L HN 0.513 nan 8.230 nan 0.000 0.436 441 R N -0.866 119.665 120.500 0.052 0.000 2.680 441 R HA 0.641 4.981 4.340 0.000 0.000 0.269 441 R C -1.041 175.271 176.300 0.021 0.000 1.026 441 R CA -0.913 55.204 56.100 0.028 0.000 0.889 441 R CB 1.155 31.464 30.300 0.015 0.000 1.241 441 R HN -0.071 nan 8.270 nan 0.000 0.463 442 R N 2.011 122.515 120.500 0.006 0.000 2.563 442 R HA 0.250 4.590 4.340 0.000 0.000 0.262 442 R C -2.114 174.182 176.300 -0.008 0.000 1.128 442 R CA -0.708 55.367 56.100 -0.041 0.000 0.969 442 R CB 1.934 32.285 30.300 0.085 0.000 1.251 442 R HN 0.932 nan 8.270 nan 0.000 0.442 443 H N 2.019 120.906 119.070 -0.304 0.000 2.934 443 H HA 0.327 4.883 4.556 0.000 0.000 0.340 443 H C -1.630 173.550 175.328 -0.247 0.000 1.008 443 H CA -0.353 55.582 56.048 -0.188 0.000 1.317 443 H CB 0.919 30.622 29.762 -0.100 0.000 1.670 443 H HN 0.668 nan 8.280 nan 0.000 0.516 444 H N 2.911 121.627 119.070 -0.590 0.000 2.541 444 H HA 0.473 5.029 4.556 0.000 0.000 0.316 444 H C -0.853 174.000 175.328 -0.792 0.000 1.043 444 H CA -0.286 55.513 56.048 -0.415 0.000 1.232 444 H CB 1.002 30.719 29.762 -0.074 0.000 1.406 444 H HN 0.440 nan 8.280 nan 0.000 0.469 445 S N 3.515 118.504 115.700 -1.185 0.000 2.433 445 S HA 0.163 4.633 4.470 0.000 0.000 0.310 445 S C -0.021 174.112 174.600 -0.777 0.000 1.097 445 S CA -0.751 56.872 58.200 -0.963 0.000 1.103 445 S CB 0.571 62.991 63.200 -1.300 0.000 0.992 445 S HN 0.809 nan 8.310 nan 0.000 0.469 446 D N 2.995 123.089 120.400 -0.510 0.000 2.379 446 D HA 0.135 4.775 4.640 0.000 0.000 0.208 446 D C -0.224 175.678 176.300 -0.662 0.000 1.065 446 D CA 0.124 53.813 54.000 -0.518 0.000 0.848 446 D CB 0.360 41.042 40.800 -0.196 0.000 0.949 446 D HN 0.366 nan 8.370 nan 0.000 0.509 447 L N 0.623 121.547 121.223 -0.498 0.000 2.276 447 L HA 0.186 4.526 4.340 0.000 0.000 0.286 447 L C -0.011 176.668 176.870 -0.319 0.000 1.024 447 L CA -0.143 54.403 54.840 -0.490 0.000 0.826 447 L CB -0.022 41.762 42.059 -0.458 0.000 1.211 447 L HN 0.124 nan 8.230 nan 0.000 0.422 448 Y N 1.084 121.352 120.300 -0.053 0.000 2.802 448 Y HA -0.362 4.188 4.550 0.000 0.000 0.485 448 Y C 0.836 176.806 175.900 0.117 0.000 1.190 448 Y CA 1.299 59.425 58.100 0.044 0.000 2.757 448 Y CB -1.396 37.089 38.460 0.043 0.000 0.919 448 Y HN 0.661 nan 8.280 nan 0.000 0.540 449 S N 0.467 116.324 115.700 0.262 0.000 2.571 449 S HA 0.473 4.943 4.470 0.000 0.000 0.284 449 S C -1.228 173.529 174.600 0.261 0.000 1.128 449 S CA -0.662 57.739 58.200 0.336 0.000 0.970 449 S CB 0.922 64.325 63.200 0.338 0.000 1.039 449 S HN 0.278 nan 8.310 nan 0.000 0.485 450 H N 4.563 123.732 119.070 0.165 0.000 2.556 450 H HA 0.490 5.046 4.556 0.000 0.000 0.310 450 H C -0.915 174.456 175.328 0.072 0.000 1.057 450 H CA -0.305 55.741 56.048 -0.003 0.000 1.264 450 H CB 0.744 30.499 29.762 -0.012 0.000 1.404 450 H HN 0.747 nan 8.280 nan 0.000 0.462 451 Y N 1.528 121.772 120.300 -0.093 0.000 2.702 451 Y HA 0.462 5.012 4.550 0.000 0.000 0.336 451 Y C -2.299 173.415 175.900 -0.311 0.000 1.203 451 Y CA -1.577 56.407 58.100 -0.193 0.000 1.072 451 Y CB 1.255 39.673 38.460 -0.071 0.000 1.327 451 Y HN 0.368 nan 8.280 nan 0.000 0.456 452 F N 0.999 120.602 119.950 -0.578 0.000 2.551 452 F HA 0.923 5.450 4.527 0.000 0.000 0.316 452 F C -0.561 175.061 175.800 -0.296 0.000 1.089 452 F CA -0.764 56.893 58.000 -0.572 0.000 0.915 452 F CB 2.486 40.983 39.000 -0.839 0.000 1.186 452 F HN 0.960 nan 8.300 nan 0.000 0.456 453 G N 2.252 110.494 108.800 -0.929 0.000 2.741 453 G HA2 0.607 4.567 3.960 0.000 0.000 0.293 453 G HA3 0.607 4.567 3.960 0.000 0.000 0.293 453 G C -1.296 173.169 174.900 -0.725 0.000 1.457 453 G CA -0.335 44.505 45.100 -0.434 0.000 1.098 453 G HN 1.152 nan 8.290 nan 0.000 0.536 454 G N -0.589 108.006 108.800 -0.342 0.000 2.550 454 G HA2 0.735 4.695 3.960 0.000 0.000 0.293 454 G HA3 0.735 4.695 3.960 0.000 0.000 0.293 454 G C -2.300 172.659 174.900 0.098 0.000 1.402 454 G CA -0.688 44.339 45.100 -0.121 0.000 0.784 454 G HN 1.566 nan 8.290 nan 0.000 0.482 455 L N -0.087 121.210 121.223 0.123 0.000 2.614 455 L HA 0.797 5.137 4.340 0.000 0.000 0.264 455 L C -0.057 176.894 176.870 0.136 0.000 0.940 455 L CA -0.452 54.467 54.840 0.131 0.000 0.903 455 L CB 1.342 43.460 42.059 0.098 0.000 1.306 455 L HN 1.441 nan 8.230 nan 0.000 0.410 456 A N 3.550 126.455 122.820 0.142 0.000 2.440 456 A HA 0.435 4.756 4.320 0.000 0.000 0.251 456 A C 0.073 177.731 177.584 0.125 0.000 1.089 456 A CA -0.221 51.893 52.037 0.129 0.000 0.779 456 A CB 0.163 19.235 19.000 0.121 0.000 1.022 456 A HN 0.777 nan 8.150 nan 0.000 0.492 457 E N 1.498 121.773 120.200 0.125 0.000 2.257 457 E HA 0.280 4.630 4.350 0.000 0.000 0.278 457 E C -0.597 176.083 176.600 0.133 0.000 1.049 457 E CA 0.041 56.525 56.400 0.139 0.000 0.876 457 E CB 0.521 30.315 29.700 0.157 0.000 1.035 457 E HN 0.624 nan 8.360 nan 0.000 0.419 458 T N 3.126 117.763 114.554 0.138 0.000 2.859 458 T HA 0.442 4.792 4.350 0.000 0.000 0.281 458 T C -0.440 174.324 174.700 0.107 0.000 1.005 458 T CA -0.729 61.447 62.100 0.127 0.000 1.025 458 T CB 1.352 70.302 68.868 0.137 0.000 0.977 458 T HN 0.392 nan 8.240 nan 0.000 0.458 459 V N 1.021 120.959 119.914 0.039 0.000 3.074 459 V HA 0.890 5.010 4.120 0.000 0.000 0.314 459 V C -1.198 174.825 176.094 -0.118 0.000 1.117 459 V CA -1.237 61.017 62.300 -0.078 0.000 1.014 459 V CB 1.823 33.483 31.823 -0.272 0.000 1.057 459 V HN 0.663 nan 8.190 nan 0.000 0.438 460 L N 2.556 123.674 121.223 -0.175 0.000 2.322 460 L HA 0.856 5.196 4.340 0.000 0.000 0.281 460 L C -0.730 175.938 176.870 -0.337 0.000 1.014 460 L CA -0.139 54.544 54.840 -0.262 0.000 0.815 460 L CB 1.633 43.597 42.059 -0.158 0.000 1.247 460 L HN 0.685 nan 8.230 nan 0.000 0.421 461 V N 5.438 124.986 119.914 -0.609 0.000 2.588 461 V HA 0.603 4.723 4.120 0.000 0.000 0.304 461 V C -0.701 175.070 176.094 -0.538 0.000 1.042 461 V CA -0.714 61.185 62.300 -0.669 0.000 0.877 461 V CB 2.096 33.264 31.823 -1.093 0.000 0.996 461 V HN 0.503 nan 8.190 nan 0.000 0.425 462 V N 5.200 124.946 119.914 -0.280 0.000 2.448 462 V HA 0.664 4.785 4.120 0.000 0.000 0.295 462 V C -0.103 175.959 176.094 -0.054 0.000 1.025 462 V CA -0.617 61.589 62.300 -0.156 0.000 0.859 462 V CB 1.785 33.558 31.823 -0.084 0.000 0.988 462 V HN 0.910 nan 8.190 nan 0.000 0.431 463 R N 2.658 123.191 120.500 0.055 0.000 2.771 463 R HA 0.809 5.149 4.340 0.000 0.000 0.274 463 R C -1.172 175.232 176.300 0.173 0.000 0.987 463 R CA -0.256 55.928 56.100 0.139 0.000 0.908 463 R CB 2.237 32.647 30.300 0.184 0.000 1.213 463 R HN 0.745 nan 8.270 nan 0.000 0.468 464 S N 2.765 118.576 115.700 0.185 0.000 2.550 464 S HA 0.618 5.089 4.470 0.000 0.000 0.270 464 S C -1.539 173.174 174.600 0.189 0.000 1.145 464 S CA -0.741 57.530 58.200 0.118 0.000 0.852 464 S CB 1.461 64.720 63.200 0.098 0.000 1.119 464 S HN 0.573 nan 8.310 nan 0.000 0.465 465 M N 2.919 122.584 119.600 0.107 0.000 2.267 465 M HA 0.404 4.884 4.480 0.000 0.000 0.289 465 M C -1.242 175.131 176.300 0.122 0.000 1.043 465 M CA -0.475 54.874 55.300 0.081 0.000 0.928 465 M CB 2.478 35.092 32.600 0.023 0.000 1.613 465 M HN 0.583 nan 8.290 nan 0.000 0.450 466 S N 1.323 117.151 115.700 0.213 0.000 2.449 466 S HA 0.552 5.022 4.470 0.000 0.000 0.310 466 S C -0.393 174.317 174.600 0.183 0.000 1.096 466 S CA -0.751 57.609 58.200 0.268 0.000 1.095 466 S CB 1.502 64.992 63.200 0.483 0.000 1.007 466 S HN 0.601 nan 8.310 nan 0.000 0.474 467 T N 3.818 118.464 114.554 0.152 0.000 2.801 467 T HA 0.406 4.756 4.350 0.000 0.000 0.306 467 T C -0.551 174.204 174.700 0.091 0.000 1.020 467 T CA -0.354 61.794 62.100 0.080 0.000 0.948 467 T CB -0.182 68.737 68.868 0.086 0.000 0.962 467 T HN 0.319 nan 8.240 nan 0.000 0.465 468 L N 5.933 127.118 121.223 -0.064 0.000 2.301 468 L HA 0.475 4.815 4.340 0.000 0.000 0.278 468 L C 0.697 177.344 176.870 -0.372 0.000 1.022 468 L CA -0.132 54.542 54.840 -0.278 0.000 0.854 468 L CB 0.112 41.998 42.059 -0.288 0.000 1.226 468 L HN 0.701 nan 8.230 nan 0.000 0.429 469 L N 0.353 121.405 121.223 -0.286 0.000 5.712 469 L HA -0.401 3.939 4.340 0.000 0.000 0.053 469 L C 0.844 177.478 176.870 -0.393 0.000 2.787 469 L CA 1.363 56.067 54.840 -0.227 0.000 1.527 469 L CB -1.033 40.818 42.059 -0.348 0.000 2.908 469 L HN 0.891 nan 8.230 nan 0.000 0.994 473 Y N 0.579 120.752 120.300 -0.212 0.000 2.313 473 Y HA 0.504 5.054 4.550 0.000 0.000 0.332 473 Y C 0.442 175.960 175.900 -0.635 0.000 1.071 473 Y CA -0.876 56.925 58.100 -0.499 0.000 1.169 473 Y CB 1.183 39.134 38.460 -0.848 0.000 1.192 473 Y HN 0.121 nan 8.280 nan 0.000 0.487 474 V N 3.829 123.547 119.914 -0.327 0.000 2.333 474 V HA 0.128 4.248 4.120 0.000 0.000 0.274 474 V C -0.935 175.049 176.094 -0.184 0.000 1.028 474 V CA -1.084 61.103 62.300 -0.187 0.000 0.851 474 V CB -0.091 31.753 31.823 0.035 0.000 1.000 474 V HN 0.668 nan 8.190 nan 0.000 0.456 475 W N 3.201 124.627 121.300 0.210 0.000 2.316 475 W HA 0.557 5.218 4.660 0.000 0.000 0.308 475 W C -0.182 176.389 176.519 0.087 0.000 1.106 475 W CA -0.580 56.861 57.345 0.160 0.000 1.262 475 W CB 0.750 30.260 29.460 0.084 0.000 1.233 475 W HN 0.408 nan 8.180 nan 0.000 0.447 476 D N 2.017 122.552 120.400 0.225 0.000 2.278 476 D HA 0.397 5.037 4.640 0.000 0.000 0.245 476 D C -0.466 175.740 176.300 -0.156 0.000 1.052 476 D CA -0.409 53.612 54.000 0.035 0.000 0.834 476 D CB 1.784 42.604 40.800 0.032 0.000 1.194 476 D HN 0.074 nan 8.370 nan 0.000 0.481 477 T N 0.988 115.386 114.554 -0.260 0.000 2.792 477 T HA 0.539 4.889 4.350 0.000 0.000 0.280 477 T C -0.267 174.021 174.700 -0.687 0.000 0.990 477 T CA -0.660 61.110 62.100 -0.549 0.000 0.960 477 T CB 1.349 69.854 68.868 -0.605 0.000 0.939 477 T HN -0.009 nan 8.240 nan 0.000 0.439 478 V N 3.876 123.284 119.914 -0.844 0.000 2.483 478 V HA 0.508 4.628 4.120 0.000 0.000 0.297 478 V C -1.084 174.440 176.094 -0.950 0.000 1.027 478 V CA -0.956 60.905 62.300 -0.732 0.000 0.855 478 V CB 1.104 32.624 31.823 -0.504 0.000 0.995 478 V HN 0.829 nan 8.190 nan 0.000 0.424 479 F N 3.735 123.272 119.950 -0.689 0.000 2.361 479 F HA 0.515 5.042 4.527 0.000 0.000 0.364 479 F C 0.829 176.417 175.800 -0.354 0.000 1.117 479 F CA -0.444 57.069 58.000 -0.812 0.000 1.071 479 F CB 0.702 38.768 39.000 -1.556 0.000 1.188 479 F HN 0.479 nan 8.300 nan 0.000 0.464 480 H N 4.379 123.571 119.070 0.204 0.000 2.505 480 H HA 0.160 4.716 4.556 0.000 0.000 0.351 480 H C -1.625 174.019 175.328 0.527 0.000 1.151 480 H CA -1.625 54.604 56.048 0.302 0.000 1.339 480 H CB 1.527 31.407 29.762 0.197 0.000 1.483 480 H HN 0.334 nan 8.280 nan 0.000 0.558 481 P HA -0.083 nan 4.420 nan 0.000 0.242 481 P C 1.020 178.522 177.300 0.336 0.000 1.197 481 P CA 0.667 64.040 63.100 0.455 0.000 0.765 481 P CB 0.144 32.025 31.700 0.302 0.000 0.936 482 S N -1.797 114.044 115.700 0.235 0.000 2.548 482 S HA 0.312 4.782 4.470 0.000 0.000 0.215 482 S C 1.653 176.113 174.600 -0.235 0.000 0.976 482 S CA 0.600 58.816 58.200 0.027 0.000 0.908 482 S CB -0.884 62.331 63.200 0.024 0.000 0.781 482 S HN 0.268 nan 8.310 nan 0.000 0.519 483 G N 0.648 109.258 108.800 -0.317 0.000 2.176 483 G HA2 -0.072 3.888 3.960 0.000 0.000 0.232 483 G HA3 -0.072 3.888 3.960 0.000 0.000 0.232 483 G C 0.236 175.287 174.900 0.251 0.000 0.986 483 G CA -0.155 44.587 45.100 -0.597 0.000 0.643 483 G HN 1.244 nan 8.290 nan 0.000 0.522 484 A N 0.085 123.081 122.820 0.294 0.000 2.388 484 A HA 0.751 5.071 4.320 0.000 0.000 0.257 484 A C 0.276 178.081 177.584 0.368 0.000 1.095 484 A CA 0.115 52.344 52.037 0.321 0.000 0.791 484 A CB 0.359 19.438 19.000 0.131 0.000 1.029 484 A HN 0.807 nan 8.150 nan 0.000 0.489 485 I N 1.079 121.779 120.570 0.217 0.000 2.474 485 I HA 0.410 4.580 4.170 0.000 0.000 0.294 485 I C 0.032 176.037 176.117 -0.187 0.000 1.005 485 I CA -0.276 60.944 61.300 -0.135 0.000 1.113 485 I CB 1.946 39.780 38.000 -0.277 0.000 1.289 485 I HN 0.800 nan 8.210 nan 0.000 0.436 486 E N 6.132 126.076 120.200 -0.428 0.000 2.224 486 E HA 0.539 4.889 4.350 0.000 0.000 0.265 486 E C -1.664 174.439 176.600 -0.829 0.000 0.878 486 E CA -0.742 55.252 56.400 -0.676 0.000 0.759 486 E CB 2.002 31.346 29.700 -0.593 0.000 1.164 486 E HN 0.420 nan 8.360 nan 0.000 0.414 487 I N 3.837 123.736 120.570 -1.119 0.000 2.377 487 I HA 0.451 4.621 4.170 0.000 0.000 0.293 487 I C -0.111 175.476 176.117 -0.883 0.000 0.987 487 I CA -0.241 60.410 61.300 -1.083 0.000 1.185 487 I CB 1.614 38.676 38.000 -1.564 0.000 1.341 487 I HN 0.436 nan 8.210 nan 0.000 0.455 488 R N 5.672 125.864 120.500 -0.514 0.000 2.584 488 R HA 0.663 5.003 4.340 0.000 0.000 0.276 488 R C -1.711 174.492 176.300 -0.160 0.000 1.046 488 R CA -0.653 55.197 56.100 -0.416 0.000 0.906 488 R CB 1.825 31.868 30.300 -0.429 0.000 1.215 488 R HN 0.541 nan 8.270 nan 0.000 0.449 489 F N 1.569 121.315 119.950 -0.340 0.000 2.588 489 F HA 0.677 5.204 4.527 0.000 0.000 0.314 489 F C -1.963 173.550 175.800 -0.478 0.000 1.069 489 F CA -0.942 56.923 58.000 -0.224 0.000 0.931 489 F CB 1.342 40.423 39.000 0.136 0.000 1.260 489 F HN 0.362 nan 8.300 nan 0.000 0.465 490 Y N 1.679 121.851 120.300 -0.213 0.000 2.477 490 Y HA 0.729 5.279 4.550 0.000 0.000 0.347 490 Y C -0.170 175.649 175.900 -0.135 0.000 0.981 490 Y CA -1.329 56.592 58.100 -0.299 0.000 1.033 490 Y CB 2.111 40.431 38.460 -0.234 0.000 1.245 490 Y HN 0.990 nan 8.280 nan 0.000 0.455 491 A N 1.852 124.680 122.820 0.013 0.000 2.301 491 A HA 0.729 5.049 4.320 0.000 0.000 0.298 491 A C 0.044 177.559 177.584 -0.116 0.000 1.185 491 A CA -0.081 51.895 52.037 -0.102 0.000 0.830 491 A CB 1.011 19.848 19.000 -0.272 0.000 1.112 491 A HN 0.744 nan 8.150 nan 0.000 0.508 492 T N 0.691 115.139 114.554 -0.176 0.000 2.618 492 T HA 0.770 5.120 4.350 0.000 0.000 0.286 492 T C 0.447 175.033 174.700 -0.191 0.000 1.027 492 T CA 1.112 63.116 62.100 -0.159 0.000 1.063 492 T CB 0.741 69.515 68.868 -0.156 0.000 1.440 492 T HN 2.669 nan 8.240 nan 0.000 0.505 493 G N 0.116 108.794 108.800 -0.203 0.000 2.527 493 G HA2 -0.139 3.821 3.960 0.000 0.000 0.227 493 G HA3 -0.139 3.821 3.960 0.000 0.000 0.227 493 G C -1.151 173.569 174.900 -0.300 0.000 1.291 493 G CA -0.056 44.901 45.100 -0.239 0.000 0.904 493 G HN 0.863 nan 8.290 nan 0.000 0.577 494 Y N 0.832 120.988 120.300 -0.240 0.000 2.299 494 Y HA 0.511 5.061 4.550 0.000 0.000 0.326 494 Y C 1.612 177.351 175.900 -0.268 0.000 1.164 494 Y CA 0.099 58.047 58.100 -0.254 0.000 1.234 494 Y CB 0.811 39.058 38.460 -0.354 0.000 1.219 494 Y HN 0.658 nan 8.280 nan 0.000 0.497 495 I N 0.337 120.918 120.570 0.019 0.000 2.638 495 I HA 0.332 4.502 4.170 0.000 0.000 0.286 495 I C 0.357 176.436 176.117 -0.063 0.000 1.088 495 I CA -0.447 60.846 61.300 -0.011 0.000 1.397 495 I CB 1.081 39.094 38.000 0.022 0.000 1.414 495 I HN 0.515 nan 8.210 nan 0.000 0.566 496 S N 4.386 120.028 115.700 -0.096 0.000 2.565 496 S HA 0.601 5.071 4.470 0.000 0.000 0.274 496 S C -0.074 174.541 174.600 0.024 0.000 1.309 496 S CA 0.088 58.243 58.200 -0.075 0.000 1.043 496 S CB 0.795 63.888 63.200 -0.179 0.000 0.939 496 S HN 1.066 nan 8.310 nan 0.000 0.504 497 S N 2.331 118.101 115.700 0.116 0.000 2.720 497 S HA 0.927 5.397 4.470 0.000 0.000 0.287 497 S C -0.659 174.012 174.600 0.119 0.000 1.168 497 S CA -0.445 57.820 58.200 0.109 0.000 0.832 497 S CB 1.141 64.403 63.200 0.103 0.000 1.166 497 S HN 1.712 nan 8.310 nan 0.000 0.493 498 A N 0.368 123.187 122.820 -0.002 0.000 2.527 498 A HA 0.765 5.085 4.320 0.000 0.000 0.293 498 A C -1.093 176.445 177.584 -0.076 0.000 1.117 498 A CA -0.781 51.115 52.037 -0.235 0.000 0.723 498 A CB 0.767 19.613 19.000 -0.256 0.000 1.313 498 A HN 1.252 nan 8.150 nan 0.000 0.411 499 F N 0.838 120.633 119.950 -0.258 0.000 2.538 499 F HA 0.454 4.981 4.527 0.000 0.000 0.371 499 F C -0.022 175.847 175.800 0.115 0.000 1.087 499 F CA -0.416 57.602 58.000 0.030 0.000 1.250 499 F CB 0.551 39.599 39.000 0.079 0.000 1.110 499 F HN 0.461 nan 8.300 nan 0.000 0.570 500 L N 9.386 130.149 121.223 -0.766 0.000 2.281 500 L HA 0.420 4.760 4.340 0.000 0.000 0.285 500 L C -1.087 175.383 176.870 -0.667 0.000 1.074 500 L CA -0.121 54.387 54.840 -0.553 0.000 0.817 500 L CB -0.145 41.714 42.059 -0.332 0.000 1.168 500 L HN 0.578 nan 8.230 nan 0.000 0.434 501 F N 3.543 123.260 119.950 -0.389 0.000 2.643 501 F HA 0.954 5.481 4.527 0.000 0.000 0.314 501 F C 0.378 176.140 175.800 -0.063 0.000 1.096 501 F CA -0.251 57.635 58.000 -0.190 0.000 0.953 501 F CB 0.706 39.682 39.000 -0.041 0.000 1.345 501 F HN 0.899 nan 8.300 nan 0.000 0.468 502 G N 0.552 109.354 108.800 0.003 0.000 2.645 502 G HA2 0.280 4.240 3.960 0.000 0.000 0.239 502 G HA3 0.280 4.240 3.960 0.000 0.000 0.239 502 G C -0.479 174.354 174.900 -0.112 0.000 1.331 502 G CA -0.257 44.808 45.100 -0.059 0.000 0.890 502 G HN 1.958 nan 8.290 nan 0.000 0.572 503 A N 0.113 122.883 122.820 -0.082 0.000 2.404 503 A HA 0.679 4.999 4.320 0.000 0.000 0.273 503 A C 1.090 178.620 177.584 -0.091 0.000 1.144 503 A CA 1.190 53.188 52.037 -0.065 0.000 0.806 503 A CB -0.099 18.881 19.000 -0.033 0.000 1.080 503 A HN 1.534 nan 8.150 nan 0.000 0.509 504 T N 1.247 115.749 114.554 -0.087 0.000 2.715 504 T HA 0.523 4.873 4.350 0.000 0.000 0.320 504 T C 1.656 176.301 174.700 -0.092 0.000 1.046 504 T CA 0.735 62.786 62.100 -0.082 0.000 0.983 504 T CB 0.393 69.218 68.868 -0.070 0.000 1.183 504 T HN 1.942 nan 8.240 nan 0.000 0.522 505 G N -0.109 108.631 108.800 -0.100 0.000 2.424 505 G HA2 -0.210 3.750 3.960 0.000 0.000 0.207 505 G HA3 -0.210 3.750 3.960 0.000 0.000 0.207 505 G C 0.847 175.627 174.900 -0.199 0.000 1.061 505 G CA 0.398 45.424 45.100 -0.123 0.000 0.657 505 G HN 0.576 nan 8.290 nan 0.000 0.508 506 K N -0.760 119.427 120.400 -0.355 0.000 2.360 506 K HA 0.402 4.722 4.320 0.000 0.000 0.196 506 K C 0.630 176.777 176.600 -0.755 0.000 1.049 506 K CA 0.316 56.222 56.287 -0.634 0.000 1.049 506 K CB 0.427 32.382 32.500 -0.908 0.000 0.881 506 K HN 0.446 nan 8.250 nan 0.000 0.542 507 Y N -0.383 119.878 120.300 -0.064 0.000 2.675 507 Y HA 0.341 4.891 4.550 0.000 0.000 0.248 507 Y C 0.498 176.372 175.900 -0.043 0.000 1.161 507 Y CA -0.396 57.669 58.100 -0.058 0.000 1.203 507 Y CB 1.636 40.046 38.460 -0.084 0.000 1.262 507 Y HN 0.051 nan 8.280 nan 0.000 0.544 508 G N 0.276 109.101 108.800 0.042 0.000 2.354 508 G HA2 -0.098 3.862 3.960 0.000 0.000 0.582 508 G HA3 -0.098 3.862 3.960 0.000 0.000 0.582 508 G C -1.498 173.407 174.900 0.009 0.000 1.316 508 G CA -1.235 43.884 45.100 0.031 0.000 0.995 508 G HN -0.026 nan 8.290 nan 0.000 0.573 509 N N 0.155 118.866 118.700 0.017 0.000 2.466 509 N HA 0.394 5.134 4.740 0.000 0.000 0.294 509 N C 0.015 175.526 175.510 0.002 0.000 1.129 509 N CA -0.505 52.552 53.050 0.011 0.000 0.931 509 N CB 1.749 40.259 38.487 0.039 0.000 1.193 509 N HN 0.778 nan 8.380 nan 0.000 0.500 510 Q N 0.899 120.692 119.800 -0.011 0.000 2.313 510 Q HA 0.147 4.488 4.340 0.000 0.000 0.266 510 Q C 0.639 176.638 176.000 -0.002 0.000 0.989 510 Q CA -0.150 55.642 55.803 -0.019 0.000 0.890 510 Q CB 0.639 29.357 28.738 -0.033 0.000 1.200 510 Q HN 0.593 nan 8.270 nan 0.000 0.396 511 V N -0.264 119.647 119.914 -0.004 0.000 3.612 511 V HA 0.321 4.441 4.120 0.000 0.000 0.268 511 V C 0.131 176.224 176.094 -0.002 0.000 1.365 511 V CA 0.601 62.901 62.300 0.000 0.000 1.044 511 V CB 0.287 32.105 31.823 -0.009 0.000 0.820 511 V HN 0.669 nan 8.190 nan 0.000 0.444 512 S N -0.905 114.792 115.700 -0.005 0.000 2.703 512 S HA 0.577 5.047 4.470 0.000 0.000 0.273 512 S C -1.044 173.561 174.600 0.009 0.000 1.178 512 S CA -0.537 57.666 58.200 0.005 0.000 0.838 512 S CB 1.825 65.009 63.200 -0.026 0.000 1.178 512 S HN 0.206 nan 8.310 nan 0.000 0.494 513 E N 0.416 120.641 120.200 0.041 0.000 2.384 513 E HA 0.295 4.645 4.350 0.000 0.000 0.266 513 E C -0.164 176.464 176.600 0.048 0.000 1.012 513 E CA 0.941 57.324 56.400 -0.029 0.000 0.901 513 E CB -0.396 29.295 29.700 -0.014 0.000 0.967 513 E HN 0.807 nan 8.360 nan 0.000 0.435 514 H N 0.576 119.709 119.070 0.105 0.000 3.010 514 H HA -0.179 4.377 4.556 0.000 0.000 0.272 514 H C -0.630 174.697 175.328 -0.002 0.000 1.151 514 H CA 1.263 57.354 56.048 0.072 0.000 1.159 514 H CB -1.520 28.432 29.762 0.316 0.000 1.295 514 H HN 0.284 nan 8.280 nan 0.000 0.344 515 T N 1.005 115.591 114.554 0.052 0.000 2.809 515 T HA 0.434 4.784 4.350 0.000 0.000 0.284 515 T C -0.179 174.509 174.700 -0.021 0.000 0.992 515 T CA -0.774 61.345 62.100 0.031 0.000 0.957 515 T CB 1.646 70.533 68.868 0.032 0.000 0.942 515 T HN 0.172 nan 8.240 nan 0.000 0.439 516 L N 3.798 124.999 121.223 -0.037 0.000 2.281 516 L HA 0.666 5.006 4.340 0.000 0.000 0.285 516 L C 0.667 177.538 176.870 0.000 0.000 1.074 516 L CA 0.094 54.914 54.840 -0.034 0.000 0.817 516 L CB 0.515 42.538 42.059 -0.060 0.000 1.168 516 L HN 0.730 nan 8.230 nan 0.000 0.434 517 G N 3.355 112.160 108.800 0.009 0.000 2.394 517 G HA2 0.355 4.315 3.960 0.000 0.000 0.298 517 G HA3 0.355 4.315 3.960 0.000 0.000 0.298 517 G C 0.023 174.954 174.900 0.051 0.000 1.087 517 G CA -0.037 45.077 45.100 0.023 0.000 1.035 517 G HN 0.775 nan 8.290 nan 0.000 0.420 518 T N 0.136 114.747 114.554 0.095 0.000 2.870 518 T HA 0.269 4.619 4.350 0.000 0.000 0.300 518 T C 0.639 175.478 174.700 0.232 0.000 0.989 518 T CA -0.692 61.504 62.100 0.160 0.000 1.139 518 T CB 1.776 70.758 68.868 0.190 0.000 0.920 518 T HN 0.456 nan 8.240 nan 0.000 0.537 519 V N 5.947 125.949 119.914 0.146 0.000 2.763 519 V HA 0.340 4.460 4.120 0.000 0.000 0.306 519 V C -0.047 176.048 176.094 0.001 0.000 1.059 519 V CA 0.252 62.576 62.300 0.039 0.000 1.138 519 V CB -0.352 31.478 31.823 0.013 0.000 0.940 519 V HN 1.221 nan 8.190 nan 0.000 0.489 520 H N 2.532 121.414 119.070 -0.315 0.000 3.060 520 H HA 0.408 4.964 4.556 0.000 0.000 0.330 520 H C -0.951 174.101 175.328 -0.461 0.000 1.305 520 H CA -0.284 55.415 56.048 -0.582 0.000 1.209 520 H CB 1.150 30.123 29.762 -1.315 0.000 1.913 520 H HN 0.676 nan 8.280 nan 0.000 0.534 521 T N -0.220 114.084 114.554 -0.416 0.000 2.902 521 T HA 0.390 4.740 4.350 0.000 0.000 0.283 521 T C -0.373 174.061 174.700 -0.445 0.000 1.009 521 T CA -0.756 61.114 62.100 -0.383 0.000 1.051 521 T CB 1.595 70.343 68.868 -0.200 0.000 0.999 521 T HN 0.628 nan 8.240 nan 0.000 0.474 522 H N 0.860 119.735 119.070 -0.326 0.000 2.472 522 H HA 0.688 5.244 4.556 0.000 0.000 0.338 522 H C -0.476 174.869 175.328 0.029 0.000 1.133 522 H CA -0.710 55.252 56.048 -0.142 0.000 1.216 522 H CB 1.968 31.567 29.762 -0.272 0.000 1.497 522 H HN 0.659 nan 8.280 nan 0.000 0.500 523 S N 0.600 116.493 115.700 0.321 0.000 2.541 523 S HA 0.683 5.153 4.470 0.000 0.000 0.271 523 S C -0.947 173.864 174.600 0.352 0.000 1.133 523 S CA -0.707 57.738 58.200 0.409 0.000 0.876 523 S CB 2.418 65.842 63.200 0.374 0.000 1.105 523 S HN 0.831 nan 8.310 nan 0.000 0.470 524 A N 1.797 124.781 122.820 0.273 0.000 2.435 524 A HA 0.759 5.079 4.320 0.000 0.000 0.304 524 A C -1.339 176.141 177.584 -0.174 0.000 1.064 524 A CA -0.522 51.401 52.037 -0.189 0.000 0.727 524 A CB 1.188 19.805 19.000 -0.637 0.000 1.284 524 A HN 0.881 nan 8.150 nan 0.000 0.415 525 H N 1.146 119.678 119.070 -0.896 0.000 2.466 525 H HA 0.653 5.209 4.556 0.000 0.000 0.338 525 H C -1.752 173.138 175.328 -0.730 0.000 1.091 525 H CA -0.394 55.191 56.048 -0.771 0.000 1.207 525 H CB 0.914 29.790 29.762 -1.476 0.000 1.466 525 H HN 0.511 nan 8.280 nan 0.000 0.493 526 F N 2.787 122.444 119.950 -0.488 0.000 2.532 526 F HA 0.291 4.818 4.527 0.000 0.000 0.321 526 F C 0.136 175.663 175.800 -0.454 0.000 1.089 526 F CA -0.840 56.947 58.000 -0.355 0.000 0.926 526 F CB 1.807 40.764 39.000 -0.072 0.000 1.168 526 F HN 0.299 nan 8.300 nan 0.000 0.459 527 K N 2.617 122.875 120.400 -0.237 0.000 2.240 527 K HA 0.631 4.951 4.320 0.000 0.000 0.271 527 K C -1.591 174.787 176.600 -0.370 0.000 1.018 527 K CA -0.352 55.622 56.287 -0.521 0.000 0.874 527 K CB 1.127 33.304 32.500 -0.538 0.000 1.098 527 K HN 0.539 nan 8.250 nan 0.000 0.458 528 V N 4.384 124.041 119.914 -0.429 0.000 2.276 528 V HA 0.055 4.175 4.120 0.000 0.000 0.268 528 V C -0.552 175.389 176.094 -0.255 0.000 1.032 528 V CA -0.832 61.309 62.300 -0.266 0.000 0.810 528 V CB 0.866 32.541 31.823 -0.247 0.000 1.060 528 V HN 0.741 nan 8.190 nan 0.000 0.446 529 D N 4.334 124.616 120.400 -0.196 0.000 2.619 529 D HA 0.226 4.866 4.640 0.000 0.000 0.224 529 D C 0.240 176.528 176.300 -0.021 0.000 1.133 529 D CA -0.063 53.877 54.000 -0.100 0.000 1.017 529 D CB 0.157 40.957 40.800 0.001 0.000 1.077 529 D HN 0.414 nan 8.370 nan 0.000 0.503 530 L N 2.123 123.324 121.223 -0.037 0.000 2.499 530 L HA 0.086 4.426 4.340 0.000 0.000 0.273 530 L C 0.311 177.206 176.870 0.042 0.000 1.195 530 L CA 0.422 55.258 54.840 -0.006 0.000 0.882 530 L CB 0.539 42.606 42.059 0.014 0.000 1.133 530 L HN 0.148 nan 8.230 nan 0.000 0.483 531 D N 2.802 123.241 120.400 0.066 0.000 2.456 531 D HA 0.168 4.808 4.640 0.000 0.000 0.287 531 D C -0.464 175.926 176.300 0.150 0.000 1.186 531 D CA -0.227 53.837 54.000 0.106 0.000 0.916 531 D CB 1.147 42.019 40.800 0.120 0.000 1.029 531 D HN 0.029 nan 8.370 nan 0.000 0.498 532 V N 1.577 121.611 119.914 0.200 0.000 2.400 532 V HA 0.210 4.330 4.120 0.000 0.000 0.263 532 V C 1.264 177.593 176.094 0.391 0.000 1.026 532 V CA 0.197 62.696 62.300 0.332 0.000 1.077 532 V CB -0.241 31.837 31.823 0.426 0.000 1.054 532 V HN 0.724 nan 8.190 nan 0.000 0.477 533 A N 3.625 126.695 122.820 0.416 0.000 2.872 533 A HA 0.128 4.448 4.320 0.000 0.000 0.273 533 A C 1.082 178.785 177.584 0.199 0.000 1.442 533 A CA 1.164 53.359 52.037 0.264 0.000 0.801 533 A CB -1.499 17.605 19.000 0.172 0.000 1.031 533 A HN 2.613 nan 8.150 nan 0.000 0.582 534 G N -3.396 105.519 108.800 0.191 0.000 2.355 534 G HA2 0.295 4.255 3.960 0.000 0.000 0.619 534 G HA3 0.295 4.255 3.960 0.000 0.000 0.619 534 G C 0.235 175.221 174.900 0.144 0.000 1.337 534 G CA -0.230 44.963 45.100 0.155 0.000 0.993 534 G HN 1.012 nan 8.290 nan 0.000 0.599 535 L N 0.175 121.458 121.223 0.100 0.000 2.056 535 L HA 0.100 4.440 4.340 0.000 0.000 0.207 535 L C 1.225 178.119 176.870 0.041 0.000 1.078 535 L CA 1.029 55.900 54.840 0.052 0.000 0.749 535 L CB -0.262 41.805 42.059 0.014 0.000 0.901 535 L HN 0.490 nan 8.230 nan 0.000 0.433 536 E N 1.988 122.225 120.200 0.061 0.000 2.166 536 E HA 0.170 4.520 4.350 0.000 0.000 0.279 536 E C -0.934 175.686 176.600 0.034 0.000 1.095 536 E CA 0.209 56.589 56.400 -0.033 0.000 0.888 536 E CB 0.225 29.927 29.700 0.002 0.000 1.041 536 E HN 0.388 nan 8.360 nan 0.000 0.414 537 N N 2.110 120.733 118.700 -0.128 0.000 2.328 537 N HA 0.454 5.194 4.740 0.000 0.000 0.299 537 N C -0.649 174.778 175.510 -0.138 0.000 1.179 537 N CA -0.780 52.324 53.050 0.091 0.000 0.793 537 N CB 1.917 40.488 38.487 0.139 0.000 1.366 537 N HN 0.308 nan 8.380 nan 0.000 0.493 538 W N 0.592 121.934 121.300 0.070 0.000 2.820 538 W HA 0.566 5.226 4.660 0.000 0.000 0.350 538 W C -0.978 175.485 176.519 -0.093 0.000 1.116 538 W CA -0.632 56.673 57.345 -0.066 0.000 1.146 538 W CB 1.628 31.009 29.460 -0.131 0.000 1.433 538 W HN 0.058 nan 8.180 nan 0.000 0.561 539 V N 1.133 121.018 119.914 -0.048 0.000 2.417 539 V HA 0.351 4.471 4.120 0.000 0.000 0.291 539 V C -1.171 174.722 176.094 -0.334 0.000 1.024 539 V CA -0.509 61.737 62.300 -0.089 0.000 0.861 539 V CB 1.162 32.973 31.823 -0.020 0.000 0.985 539 V HN 0.420 nan 8.190 nan 0.000 0.436 540 W N 2.441 123.582 121.300 -0.265 0.000 2.632 540 W HA 0.772 5.432 4.660 0.000 0.000 0.328 540 W C -0.069 176.266 176.519 -0.306 0.000 1.044 540 W CA -0.617 56.503 57.345 -0.375 0.000 1.225 540 W CB 2.043 31.027 29.460 -0.793 0.000 1.396 540 W HN 0.628 nan 8.180 nan 0.000 0.499 541 A N 2.715 125.636 122.820 0.168 0.000 2.273 541 A HA 0.660 4.980 4.320 0.000 0.000 0.315 541 A C -0.776 176.932 177.584 0.207 0.000 1.256 541 A CA -0.575 51.562 52.037 0.167 0.000 0.851 541 A CB 0.605 19.706 19.000 0.169 0.000 1.172 541 A HN 0.677 nan 8.150 nan 0.000 0.508 542 E N 1.581 121.913 120.200 0.220 0.000 2.199 542 E HA 0.505 4.855 4.350 0.000 0.000 0.269 542 E C -1.162 175.516 176.600 0.130 0.000 0.899 542 E CA -0.580 55.924 56.400 0.172 0.000 0.772 542 E CB 2.017 31.813 29.700 0.160 0.000 1.155 542 E HN 0.744 nan 8.360 nan 0.000 0.408 543 D N 1.151 121.591 120.400 0.066 0.000 2.895 543 D HA 0.411 5.051 4.640 0.000 0.000 0.320 543 D C -1.193 175.097 176.300 -0.017 0.000 1.249 543 D CA -0.479 53.550 54.000 0.048 0.000 0.997 543 D CB 1.682 42.519 40.800 0.061 0.000 1.430 543 D HN 0.427 nan 8.370 nan 0.000 0.558 544 M N -0.086 119.496 119.600 -0.030 0.000 2.662 544 M HA 0.775 5.255 4.480 0.000 0.000 0.310 544 M C -1.428 174.803 176.300 -0.115 0.000 1.204 544 M CA -0.850 54.382 55.300 -0.113 0.000 0.891 544 M CB 2.669 35.180 32.600 -0.148 0.000 1.732 544 M HN 0.088 nan 8.290 nan 0.000 0.467 545 V N 1.848 121.629 119.914 -0.221 0.000 3.098 545 V HA 0.586 4.706 4.120 0.000 0.000 0.294 545 V C -2.111 173.808 176.094 -0.290 0.000 1.351 545 V CA -0.542 61.675 62.300 -0.139 0.000 0.999 545 V CB 2.687 34.492 31.823 -0.029 0.000 1.104 545 V HN 0.862 nan 8.190 nan 0.000 0.438 546 F N 4.570 124.529 119.950 0.016 0.000 2.420 546 F HA 0.696 5.223 4.527 0.000 0.000 0.342 546 F C 0.146 175.953 175.800 0.012 0.000 1.113 546 F CA -0.650 57.357 58.000 0.013 0.000 1.059 546 F CB 2.004 41.011 39.000 0.011 0.000 1.128 546 F HN 0.228 nan 8.300 nan 0.000 0.475 547 V N 5.354 125.365 119.914 0.161 0.000 2.378 547 V HA 0.342 4.462 4.120 0.000 0.000 0.288 547 V C -2.184 173.967 176.094 0.094 0.000 1.016 547 V CA -2.119 60.242 62.300 0.101 0.000 0.840 547 V CB 1.468 33.323 31.823 0.054 0.000 0.994 547 V HN 0.480 nan 8.190 nan 0.000 0.431 548 P HA 0.246 nan 4.420 nan 0.000 0.271 548 P C -0.752 176.562 177.300 0.024 0.000 1.226 548 P CA 0.094 63.221 63.100 0.044 0.000 0.765 548 P CB 0.606 32.322 31.700 0.028 0.000 0.835 549 M N 1.092 120.699 119.600 0.011 0.000 2.569 549 M HA 0.755 5.235 4.480 0.000 0.000 0.279 549 M C -0.829 175.447 176.300 -0.039 0.000 1.253 549 M CA -1.401 53.894 55.300 -0.009 0.000 0.867 549 M CB 2.077 34.676 32.600 -0.002 0.000 1.727 549 M HN 0.138 nan 8.290 nan 0.000 0.467 550 A N 1.453 124.241 122.820 -0.053 0.000 2.498 550 A HA 0.461 4.781 4.320 0.000 0.000 0.239 550 A C 0.086 177.577 177.584 -0.155 0.000 1.068 550 A CA -0.428 51.556 52.037 -0.089 0.000 0.766 550 A CB -0.013 18.941 19.000 -0.077 0.000 1.003 550 A HN 0.681 nan 8.150 nan 0.000 0.497 551 V N 5.809 125.573 119.914 -0.250 0.000 2.425 551 V HA 0.030 4.150 4.120 0.000 0.000 0.276 551 V C -1.256 174.529 176.094 -0.514 0.000 1.017 551 V CA -0.380 61.597 62.300 -0.539 0.000 1.062 551 V CB 0.608 31.998 31.823 -0.721 0.000 0.997 551 V HN 0.838 nan 8.190 nan 0.000 0.476 552 P HA -0.176 nan 4.420 nan 0.000 0.217 552 P C 1.212 178.516 177.300 0.007 0.000 1.162 552 P CA 1.933 64.999 63.100 -0.058 0.000 0.901 552 P CB 0.000 31.819 31.700 0.198 0.000 0.793 553 W N -2.224 119.092 121.300 0.026 0.000 3.345 553 W HA 0.476 5.136 4.660 0.000 0.000 0.282 553 W C 0.119 176.661 176.519 0.038 0.000 1.302 553 W CA 0.095 57.456 57.345 0.025 0.000 1.724 553 W CB -0.360 29.111 29.460 0.018 0.000 1.104 553 W HN -0.132 nan 8.180 nan 0.000 0.694 554 S N 0.508 116.053 115.700 -0.257 0.000 2.849 554 S HA 0.207 4.677 4.470 0.000 0.000 0.141 554 S C -2.065 172.452 174.600 -0.139 0.000 1.109 554 S CA -0.682 57.441 58.200 -0.127 0.000 1.106 554 S CB 0.034 63.186 63.200 -0.080 0.000 1.637 554 S HN -0.198 nan 8.310 nan 0.000 0.457 555 P HA -0.114 nan 4.420 nan 0.000 0.226 555 P C 1.279 178.511 177.300 -0.114 0.000 1.146 555 P CA 0.794 63.830 63.100 -0.106 0.000 0.773 555 P CB 0.003 31.663 31.700 -0.066 0.000 0.772 556 E N -1.165 118.945 120.200 -0.150 0.000 2.427 556 E HA -0.125 4.225 4.350 0.000 0.000 0.196 556 E C -0.041 176.340 176.600 -0.364 0.000 1.028 556 E CA 0.472 56.724 56.400 -0.248 0.000 0.864 556 E CB -0.472 29.045 29.700 -0.305 0.000 0.813 556 E HN 0.366 nan 8.360 nan 0.000 0.514 557 H N 0.044 119.048 119.070 -0.110 0.000 2.651 557 H HA 0.335 4.891 4.556 0.000 0.000 0.353 557 H C -0.279 174.975 175.328 -0.123 0.000 1.178 557 H CA -0.815 55.168 56.048 -0.109 0.000 1.224 557 H CB 1.323 31.011 29.762 -0.124 0.000 1.702 557 H HN -0.055 nan 8.280 nan 0.000 0.550 558 Q N 1.425 121.254 119.800 0.048 0.000 2.266 558 Q HA 0.390 4.730 4.340 0.000 0.000 0.261 558 Q C -1.121 174.865 176.000 -0.023 0.000 0.985 558 Q CA -1.108 54.688 55.803 -0.011 0.000 0.873 558 Q CB 2.719 31.453 28.738 -0.007 0.000 1.306 558 Q HN 0.412 nan 8.270 nan 0.000 0.447 559 L N -0.988 120.215 121.223 -0.035 0.000 2.333 559 L HA 0.525 4.865 4.340 0.000 0.000 0.263 559 L C -0.658 176.227 176.870 0.026 0.000 1.014 559 L CA -0.957 53.876 54.840 -0.012 0.000 0.820 559 L CB 1.232 43.278 42.059 -0.021 0.000 1.352 559 L HN 0.218 nan 8.230 nan 0.000 0.421 560 Q N 1.532 121.365 119.800 0.056 0.000 2.349 560 Q HA 0.374 4.714 4.340 0.000 0.000 0.254 560 Q C -0.666 175.489 176.000 0.258 0.000 0.980 560 Q CA -0.276 55.605 55.803 0.131 0.000 0.924 560 Q CB 1.404 30.159 28.738 0.027 0.000 1.209 560 Q HN 0.566 nan 8.270 nan 0.000 0.445 561 R N 2.696 123.317 120.500 0.201 0.000 2.248 561 R HA 0.181 4.521 4.340 0.000 0.000 0.337 561 R C -0.728 175.617 176.300 0.076 0.000 1.106 561 R CA -0.505 55.675 56.100 0.134 0.000 0.959 561 R CB -0.294 30.048 30.300 0.070 0.000 1.075 561 R HN 0.415 nan 8.270 nan 0.000 0.480 562 L N 3.899 125.129 121.223 0.012 0.000 2.410 562 L HA 0.199 4.539 4.340 0.000 0.000 0.273 562 L C -0.639 176.102 176.870 -0.215 0.000 1.144 562 L CA 1.019 55.659 54.840 -0.334 0.000 0.863 562 L CB 0.564 42.440 42.059 -0.304 0.000 1.140 562 L HN 0.727 nan 8.230 nan 0.000 0.463 563 Q N 2.940 122.585 119.800 -0.258 0.000 2.495 563 Q HA 0.586 4.926 4.340 0.000 0.000 0.287 563 Q C -1.437 174.473 176.000 -0.151 0.000 1.078 563 Q CA -1.133 54.582 55.803 -0.147 0.000 0.793 563 Q CB 2.401 31.089 28.738 -0.084 0.000 1.459 563 Q HN 0.428 nan 8.270 nan 0.000 0.422 564 V N 1.353 121.206 119.914 -0.101 0.000 2.481 564 V HA 0.423 4.543 4.120 0.000 0.000 0.286 564 V C 0.009 176.081 176.094 -0.037 0.000 1.042 564 V CA -0.307 61.943 62.300 -0.085 0.000 0.928 564 V CB 1.484 33.254 31.823 -0.087 0.000 0.986 564 V HN 0.932 nan 8.190 nan 0.000 0.462 565 T N 3.108 117.654 114.554 -0.014 0.000 2.895 565 T HA 0.756 5.107 4.350 0.000 0.000 0.283 565 T C -0.525 174.216 174.700 0.068 0.000 1.014 565 T CA -0.873 61.245 62.100 0.030 0.000 1.037 565 T CB 1.808 70.699 68.868 0.038 0.000 1.006 565 T HN 0.680 nan 8.240 nan 0.000 0.468 566 R N 1.045 121.609 120.500 0.107 0.000 2.564 566 R HA 0.579 4.919 4.340 0.000 0.000 0.284 566 R C -1.562 174.880 176.300 0.236 0.000 1.031 566 R CA -0.761 55.447 56.100 0.180 0.000 0.904 566 R CB 1.539 31.928 30.300 0.148 0.000 1.199 566 R HN 0.803 nan 8.270 nan 0.000 0.443 567 K N 4.502 125.082 120.400 0.299 0.000 2.513 567 K HA 0.284 4.604 4.320 0.000 0.000 0.251 567 K C -1.609 175.111 176.600 0.201 0.000 0.939 567 K CA -0.869 55.556 56.287 0.230 0.000 0.793 567 K CB 1.579 34.166 32.500 0.144 0.000 1.241 567 K HN 0.422 nan 8.250 nan 0.000 0.431 568 L N 5.576 126.792 121.223 -0.012 0.000 2.319 568 L HA 0.344 4.684 4.340 0.000 0.000 0.280 568 L C -1.178 175.565 176.870 -0.212 0.000 1.099 568 L CA 0.024 54.602 54.840 -0.437 0.000 0.828 568 L CB 0.564 42.263 42.059 -0.600 0.000 1.150 568 L HN 0.548 nan 8.230 nan 0.000 0.442 569 L N 6.272 127.367 121.223 -0.212 0.000 2.259 569 L HA 0.344 4.684 4.340 0.000 0.000 0.288 569 L C 0.835 177.639 176.870 -0.109 0.000 1.051 569 L CA -0.114 54.668 54.840 -0.097 0.000 0.824 569 L CB 0.909 42.952 42.059 -0.027 0.000 1.206 569 L HN 0.750 nan 8.230 nan 0.000 0.429 570 E N 2.592 122.742 120.200 -0.083 0.000 2.307 570 E HA 0.157 4.507 4.350 0.000 0.000 0.195 570 E C 0.088 176.645 176.600 -0.072 0.000 0.975 570 E CA 0.509 56.864 56.400 -0.074 0.000 0.878 570 E CB 0.557 30.227 29.700 -0.049 0.000 0.845 570 E HN 0.501 nan 8.360 nan 0.000 0.488 571 M N -0.026 119.535 119.600 -0.065 0.000 2.664 571 M HA 0.254 4.734 4.480 0.000 0.000 0.314 571 M C 0.757 177.015 176.300 -0.069 0.000 1.200 571 M CA -0.213 55.050 55.300 -0.063 0.000 0.916 571 M CB 1.349 33.917 32.600 -0.053 0.000 1.717 571 M HN -0.119 nan 8.290 nan 0.000 0.470 572 E N 0.672 120.831 120.200 -0.067 0.000 2.085 572 E HA -0.206 4.144 4.350 0.000 0.000 0.194 572 E C 1.265 177.807 176.600 -0.097 0.000 0.994 572 E CA 1.393 57.751 56.400 -0.070 0.000 0.801 572 E CB 0.269 29.928 29.700 -0.068 0.000 0.743 572 E HN 0.536 nan 8.360 nan 0.000 0.453 573 E N 0.897 121.043 120.200 -0.091 0.000 2.118 573 E HA -0.236 4.114 4.350 0.000 0.000 0.195 573 E C 1.975 178.483 176.600 -0.152 0.000 0.992 573 E CA 1.132 57.474 56.400 -0.097 0.000 0.804 573 E CB -0.290 29.372 29.700 -0.064 0.000 0.741 573 E HN 0.460 nan 8.360 nan 0.000 0.458 574 Q N -0.177 119.537 119.800 -0.143 0.000 2.291 574 Q HA 0.038 4.378 4.340 0.000 0.000 0.205 574 Q C 1.492 177.296 176.000 -0.326 0.000 0.970 574 Q CA 1.084 56.782 55.803 -0.176 0.000 0.876 574 Q CB 0.129 28.817 28.738 -0.084 0.000 0.935 574 Q HN 0.201 nan 8.270 nan 0.000 0.455 575 A N 0.095 122.744 122.820 -0.285 0.000 2.430 575 A HA 0.488 4.808 4.320 0.000 0.000 0.243 575 A C 0.459 177.820 177.584 -0.370 0.000 1.254 575 A CA -0.137 51.739 52.037 -0.269 0.000 0.914 575 A CB 0.418 19.431 19.000 0.021 0.000 0.998 575 A HN 0.187 nan 8.150 nan 0.000 0.515 576 A N 0.219 122.770 122.820 -0.447 0.000 2.269 576 A HA 0.677 4.997 4.320 0.000 0.000 0.302 576 A C -0.947 176.471 177.584 -0.276 0.000 1.266 576 A CA -0.155 51.769 52.037 -0.188 0.000 0.894 576 A CB -0.372 18.589 19.000 -0.064 0.000 1.147 576 A HN 0.297 nan 8.150 nan 0.000 0.537 577 F N 3.075 123.218 119.950 0.321 0.000 2.445 577 F HA 0.380 4.907 4.527 0.000 0.000 0.348 577 F C 0.128 176.075 175.800 0.245 0.000 1.125 577 F CA -0.448 57.694 58.000 0.236 0.000 0.983 577 F CB 1.443 40.544 39.000 0.168 0.000 1.198 577 F HN 0.388 nan 8.300 nan 0.000 0.436 578 L N 3.344 124.729 121.223 0.270 0.000 2.439 578 L HA 0.245 4.585 4.340 0.000 0.000 0.269 578 L C 0.233 177.166 176.870 0.105 0.000 1.179 578 L CA -0.718 54.166 54.840 0.075 0.000 0.828 578 L CB 0.499 42.537 42.059 -0.036 0.000 1.106 578 L HN 0.270 nan 8.230 nan 0.000 0.467 579 V N 2.289 122.231 119.914 0.047 0.000 2.720 579 V HA 0.019 4.139 4.120 0.000 0.000 0.307 579 V C 1.257 177.381 176.094 0.050 0.000 1.071 579 V CA 1.409 63.747 62.300 0.063 0.000 1.199 579 V CB 0.502 32.347 31.823 0.038 0.000 0.900 579 V HN 1.103 nan 8.190 nan 0.000 0.494 580 G N 3.751 112.585 108.800 0.057 0.000 2.179 580 G HA2 -0.233 3.727 3.960 0.000 0.000 0.257 580 G HA3 -0.233 3.727 3.960 0.000 0.000 0.257 580 G C 0.219 175.150 174.900 0.052 0.000 1.010 580 G CA 0.335 45.462 45.100 0.045 0.000 0.736 580 G HN 0.795 nan 8.290 nan 0.000 0.513 581 S N -0.415 115.332 115.700 0.078 0.000 2.593 581 S HA 0.808 5.279 4.470 0.000 0.000 0.297 581 S C 0.569 175.218 174.600 0.082 0.000 1.112 581 S CA 0.056 58.314 58.200 0.097 0.000 1.043 581 S CB 1.823 65.116 63.200 0.155 0.000 1.054 581 S HN 1.496 nan 8.310 nan 0.000 0.516 582 A N 2.258 125.121 122.820 0.072 0.000 2.409 582 A HA 0.534 4.854 4.320 0.000 0.000 0.262 582 A C 0.615 178.208 177.584 0.016 0.000 1.113 582 A CA -0.319 51.739 52.037 0.035 0.000 0.790 582 A CB -0.280 18.744 19.000 0.039 0.000 1.046 582 A HN 0.775 nan 8.150 nan 0.000 0.496 583 T N 1.167 115.663 114.554 -0.097 0.000 2.925 583 T HA 0.696 5.046 4.350 0.000 0.000 0.285 583 T C -2.615 171.960 174.700 -0.208 0.000 1.021 583 T CA -1.948 59.962 62.100 -0.318 0.000 1.042 583 T CB 1.098 69.622 68.868 -0.574 0.000 1.037 583 T HN 0.474 nan 8.240 nan 0.000 0.481 584 P HA 0.155 nan 4.420 nan 0.000 0.264 584 P C 0.543 177.815 177.300 -0.047 0.000 1.183 584 P CA -0.154 62.913 63.100 -0.055 0.000 0.763 584 P CB 0.674 32.373 31.700 -0.001 0.000 0.807 585 R N 1.381 121.899 120.500 0.030 0.000 2.115 585 R HA -0.074 4.266 4.340 0.000 0.000 0.230 585 R C 0.170 176.467 176.300 -0.005 0.000 1.111 585 R CA 1.297 57.413 56.100 0.028 0.000 0.976 585 R CB -0.195 30.172 30.300 0.113 0.000 0.870 585 R HN 0.512 nan 8.270 nan 0.000 0.445 586 Y N 0.134 120.404 120.300 -0.050 0.000 2.447 586 Y HA 0.336 4.886 4.550 0.000 0.000 0.325 586 Y C -0.761 175.171 175.900 0.053 0.000 0.976 586 Y CA -0.831 57.235 58.100 -0.057 0.000 1.280 586 Y CB 1.338 39.716 38.460 -0.137 0.000 1.104 586 Y HN -0.085 nan 8.280 nan 0.000 0.486 587 L N 6.590 127.891 121.223 0.130 0.000 2.333 587 L HA 0.683 5.023 4.340 0.000 0.000 0.280 587 L C -1.527 175.493 176.870 0.250 0.000 1.004 587 L CA -0.663 54.260 54.840 0.138 0.000 0.820 587 L CB 0.801 42.872 42.059 0.020 0.000 1.247 587 L HN 0.547 nan 8.230 nan 0.000 0.416 588 Y N 3.069 123.474 120.300 0.175 0.000 2.571 588 Y HA 0.688 5.238 4.550 0.000 0.000 0.341 588 Y C -1.756 174.332 175.900 0.313 0.000 1.076 588 Y CA -1.515 56.716 58.100 0.219 0.000 1.029 588 Y CB 1.036 39.623 38.460 0.210 0.000 1.308 588 Y HN 0.315 nan 8.280 nan 0.000 0.461 589 L N 3.098 124.584 121.223 0.439 0.000 2.325 589 L HA 0.920 5.260 4.340 0.000 0.000 0.279 589 L C -0.126 177.082 176.870 0.564 0.000 1.054 589 L CA -1.056 54.015 54.840 0.385 0.000 0.804 589 L CB 1.569 43.792 42.059 0.272 0.000 1.200 589 L HN 0.953 nan 8.230 nan 0.000 0.436 590 A N 1.880 125.051 122.820 0.585 0.000 2.498 590 A HA 0.621 4.941 4.320 0.000 0.000 0.298 590 A C -0.501 177.446 177.584 0.606 0.000 1.075 590 A CA -0.440 51.997 52.037 0.666 0.000 0.714 590 A CB 2.023 21.529 19.000 0.843 0.000 1.299 590 A HN 0.601 nan 8.150 nan 0.000 0.407 591 S N -0.218 115.787 115.700 0.509 0.000 2.624 591 S HA 0.124 4.594 4.470 0.000 0.000 0.263 591 S C 1.243 176.031 174.600 0.313 0.000 1.287 591 S CA 0.163 58.645 58.200 0.469 0.000 0.990 591 S CB 0.588 64.020 63.200 0.387 0.000 0.950 591 S HN 0.837 nan 8.310 nan 0.000 0.561 592 N N 0.649 119.448 118.700 0.165 0.000 2.244 592 N HA -0.036 4.704 4.740 0.000 0.000 0.183 592 N C -0.045 175.296 175.510 -0.282 0.000 1.016 592 N CA 1.249 54.091 53.050 -0.346 0.000 0.866 592 N CB -0.391 37.927 38.487 -0.281 0.000 0.980 592 N HN 0.682 nan 8.380 nan 0.000 0.430 593 H N -0.982 118.098 119.070 0.017 0.000 2.551 593 H HA 0.356 4.912 4.556 0.000 0.000 0.358 593 H C -0.079 175.229 175.328 -0.034 0.000 1.151 593 H CA -0.161 55.876 56.048 -0.019 0.000 1.374 593 H CB 1.165 30.918 29.762 -0.015 0.000 1.473 593 H HN -0.067 nan 8.280 nan 0.000 0.574 594 S N 1.587 117.317 115.700 0.049 0.000 2.617 594 S HA 0.132 4.602 4.470 0.000 0.000 0.283 594 S C 0.278 174.838 174.600 -0.066 0.000 1.189 594 S CA -1.111 57.078 58.200 -0.019 0.000 1.036 594 S CB 0.618 63.781 63.200 -0.061 0.000 1.014 594 S HN 0.779 nan 8.310 nan 0.000 0.522 595 N N 1.614 120.263 118.700 -0.084 0.000 2.285 595 N HA 0.064 4.804 4.740 0.000 0.000 0.262 595 N C 0.748 176.108 175.510 -0.249 0.000 1.299 595 N CA -0.348 52.606 53.050 -0.161 0.000 0.930 595 N CB 0.110 38.532 38.487 -0.108 0.000 1.157 595 N HN 0.606 nan 8.380 nan 0.000 0.532 596 K N -0.804 119.311 120.400 -0.475 0.000 2.281 596 K HA -0.087 4.233 4.320 0.000 0.000 0.203 596 K C 0.357 176.526 176.600 -0.720 0.000 1.046 596 K CA 1.107 56.950 56.287 -0.740 0.000 0.938 596 K CB -0.150 31.672 32.500 -1.130 0.000 0.737 596 K HN 0.673 nan 8.250 nan 0.000 0.458 597 W N -0.147 121.136 121.300 -0.028 0.000 3.239 597 W HA 0.293 4.953 4.660 0.000 0.000 0.368 597 W C 0.879 177.340 176.519 -0.098 0.000 1.154 597 W CA -0.133 57.197 57.345 -0.024 0.000 1.860 597 W CB 0.618 30.099 29.460 0.035 0.000 1.094 597 W HN 0.190 nan 8.180 nan 0.000 0.643 598 G N 0.639 109.424 108.800 -0.025 0.000 2.136 598 G HA2 -0.254 3.706 3.960 0.000 0.000 0.242 598 G HA3 -0.254 3.706 3.960 0.000 0.000 0.242 598 G C -0.086 174.619 174.900 -0.324 0.000 0.989 598 G CA -0.334 44.664 45.100 -0.170 0.000 0.682 598 G HN 0.434 nan 8.290 nan 0.000 0.522 599 H N 0.248 119.294 119.070 -0.040 0.000 2.457 599 H HA 0.361 4.917 4.556 0.000 0.000 0.335 599 H C -2.444 172.835 175.328 -0.080 0.000 1.115 599 H CA -1.864 54.129 56.048 -0.090 0.000 1.219 599 H CB 1.801 31.487 29.762 -0.127 0.000 1.471 599 H HN 0.035 nan 8.280 nan 0.000 0.491 600 P HA -0.026 nan 4.420 nan 0.000 0.264 600 P C -0.110 177.276 177.300 0.142 0.000 1.193 600 P CA 0.104 63.250 63.100 0.077 0.000 0.763 600 P CB 0.425 32.180 31.700 0.092 0.000 0.810 601 R N 2.439 123.026 120.500 0.145 0.000 2.370 601 R HA 0.567 4.907 4.340 0.000 0.000 0.309 601 R C 0.601 177.143 176.300 0.403 0.000 1.059 601 R CA -0.407 55.792 56.100 0.165 0.000 0.981 601 R CB 0.001 30.264 30.300 -0.062 0.000 0.972 601 R HN 0.494 nan 8.270 nan 0.000 0.437 602 G N 1.804 110.859 108.800 0.424 0.000 2.658 602 G HA2 0.521 4.481 3.960 0.000 0.000 0.292 602 G HA3 0.521 4.481 3.960 0.000 0.000 0.292 602 G C -1.855 173.298 174.900 0.421 0.000 1.320 602 G CA -0.658 44.767 45.100 0.541 0.000 0.933 602 G HN 0.471 nan 8.290 nan 0.000 0.476 603 Y N 0.406 120.907 120.300 0.335 0.000 2.329 603 Y HA 0.435 4.985 4.550 0.000 0.000 0.328 603 Y C 0.652 176.698 175.900 0.242 0.000 0.992 603 Y CA -0.866 57.351 58.100 0.195 0.000 1.151 603 Y CB 1.710 40.211 38.460 0.068 0.000 1.150 603 Y HN 0.699 nan 8.280 nan 0.000 0.450 604 R N 4.092 124.711 120.500 0.199 0.000 2.459 604 R HA 0.677 5.017 4.340 0.000 0.000 0.281 604 R C -1.356 175.036 176.300 0.153 0.000 1.050 604 R CA -0.477 55.727 56.100 0.172 0.000 1.055 604 R CB 1.004 31.277 30.300 -0.045 0.000 1.045 604 R HN 0.645 nan 8.270 nan 0.000 0.495 605 I N 2.708 123.352 120.570 0.123 0.000 2.328 605 I HA 0.175 4.346 4.170 0.000 0.000 0.287 605 I C -0.192 175.949 176.117 0.041 0.000 1.012 605 I CA -0.455 60.901 61.300 0.093 0.000 1.195 605 I CB 1.532 39.553 38.000 0.035 0.000 1.350 605 I HN 0.619 nan 8.210 nan 0.000 0.464 606 Q N 7.730 127.584 119.800 0.090 0.000 2.333 606 Q HA 0.575 4.915 4.340 0.000 0.000 0.265 606 Q C -1.333 174.746 176.000 0.131 0.000 0.989 606 Q CA -0.746 55.083 55.803 0.043 0.000 0.842 606 Q CB 1.698 30.431 28.738 -0.009 0.000 1.262 606 Q HN 0.628 nan 8.270 nan 0.000 0.451 607 M N 4.035 123.672 119.600 0.061 0.000 2.363 607 M HA 0.405 4.885 4.480 0.000 0.000 0.343 607 M C -1.041 175.281 176.300 0.038 0.000 1.165 607 M CA -0.604 54.748 55.300 0.088 0.000 1.046 607 M CB 1.398 34.030 32.600 0.053 0.000 1.648 607 M HN 0.509 nan 8.290 nan 0.000 0.452 608 L N 1.921 123.173 121.223 0.048 0.000 2.384 608 L HA 0.606 4.946 4.340 0.000 0.000 0.261 608 L C -0.393 176.473 176.870 -0.006 0.000 1.024 608 L CA -0.241 54.585 54.840 -0.024 0.000 0.899 608 L CB 1.081 43.155 42.059 0.025 0.000 1.243 608 L HN 0.635 nan 8.230 nan 0.000 0.449 609 S N 1.647 117.270 115.700 -0.127 0.000 2.536 609 S HA 0.728 5.198 4.470 0.000 0.000 0.271 609 S C -0.931 173.544 174.600 -0.208 0.000 1.134 609 S CA -0.352 57.862 58.200 0.024 0.000 0.897 609 S CB 1.058 64.338 63.200 0.134 0.000 1.094 609 S HN 0.361 nan 8.310 nan 0.000 0.473 610 F N 2.574 122.599 119.950 0.126 0.000 2.831 610 F HA 0.501 5.028 4.527 0.000 0.000 0.355 610 F C 0.955 176.845 175.800 0.151 0.000 1.341 610 F CA -0.566 57.502 58.000 0.113 0.000 1.201 610 F CB 0.330 39.387 39.000 0.095 0.000 1.058 610 F HN 0.687 nan 8.300 nan 0.000 0.514 611 A N 0.677 123.647 122.820 0.250 0.000 2.540 611 A HA 0.445 4.765 4.320 0.000 0.000 0.239 611 A C 1.093 178.776 177.584 0.165 0.000 1.061 611 A CA 0.404 52.576 52.037 0.225 0.000 0.758 611 A CB -0.176 18.936 19.000 0.186 0.000 0.991 611 A HN 0.545 nan 8.150 nan 0.000 0.502 612 G N 1.030 109.908 108.800 0.130 0.000 2.544 612 G HA2 0.384 4.344 3.960 0.000 0.000 0.242 612 G HA3 0.384 4.344 3.960 0.000 0.000 0.242 612 G C 0.134 175.055 174.900 0.035 0.000 1.247 612 G CA -0.350 44.787 45.100 0.061 0.000 0.840 612 G HN 0.917 nan 8.290 nan 0.000 0.578 613 E N 1.958 122.168 120.200 0.016 0.000 2.493 613 E HA 0.051 4.401 4.350 0.000 0.000 0.255 613 E C -1.566 175.022 176.600 -0.020 0.000 0.999 613 E CA -1.143 55.257 56.400 0.000 0.000 0.934 613 E CB 0.486 30.185 29.700 -0.003 0.000 0.940 613 E HN 0.210 nan 8.360 nan 0.000 0.473 614 P HA -0.030 nan 4.420 nan 0.000 0.272 614 P C -0.349 176.930 177.300 -0.035 0.000 1.223 614 P CA -0.424 62.646 63.100 -0.051 0.000 0.784 614 P CB 0.563 32.216 31.700 -0.077 0.000 0.923 615 L N 4.382 125.600 121.223 -0.008 0.000 2.578 615 L HA 0.091 4.431 4.340 0.000 0.000 0.279 615 L C -2.004 174.856 176.870 -0.016 0.000 1.227 615 L CA -0.884 53.969 54.840 0.021 0.000 0.900 615 L CB -1.050 41.082 42.059 0.122 0.000 1.144 615 L HN 0.316 nan 8.230 nan 0.000 0.496 616 P HA -0.027 nan 4.420 nan 0.000 0.265 616 P C -0.057 177.212 177.300 -0.052 0.000 1.187 616 P CA 0.054 63.134 63.100 -0.033 0.000 0.766 616 P CB 0.414 32.103 31.700 -0.017 0.000 0.820 617 Q N 1.622 121.383 119.800 -0.065 0.000 2.291 617 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 617 Q C 1.535 177.497 176.000 -0.063 0.000 0.976 617 Q CA 1.161 56.915 55.803 -0.081 0.000 0.875 617 Q CB -0.241 28.450 28.738 -0.078 0.000 0.927 617 Q HN 0.474 nan 8.270 nan 0.000 0.450 618 N N -0.417 118.258 118.700 -0.041 0.000 2.459 618 N HA -0.066 4.674 4.740 0.000 0.000 0.181 618 N C 0.083 175.584 175.510 -0.014 0.000 1.046 618 N CA 0.000 53.036 53.050 -0.024 0.000 0.904 618 N CB 0.299 38.777 38.487 -0.015 0.000 0.964 618 N HN -0.045 nan 8.380 nan 0.000 0.444 619 S N -0.408 115.281 115.700 -0.018 0.000 2.537 619 S HA 0.005 4.476 4.470 0.000 0.000 0.286 619 S C 1.328 175.924 174.600 -0.007 0.000 1.299 619 S CA -0.266 57.934 58.200 0.001 0.000 1.067 619 S CB 0.658 63.856 63.200 -0.003 0.000 0.864 619 S HN 0.402 nan 8.310 nan 0.000 0.494 620 S N 4.835 120.575 115.700 0.067 0.000 2.507 620 S HA -0.136 4.334 4.470 0.000 0.000 0.235 620 S C 1.554 176.210 174.600 0.092 0.000 0.988 620 S CA 1.017 59.288 58.200 0.118 0.000 0.944 620 S CB -0.542 62.782 63.200 0.208 0.000 0.762 620 S HN 0.929 nan 8.310 nan 0.000 0.526 621 M N -0.251 119.315 119.600 -0.057 0.000 2.492 621 M HA 0.544 5.024 4.480 0.000 0.000 0.255 621 M C 2.061 177.996 176.300 -0.608 0.000 1.139 621 M CA 0.624 55.684 55.300 -0.399 0.000 1.096 621 M CB -0.315 31.981 32.600 -0.507 0.000 1.360 621 M HN 0.179 nan 8.290 nan 0.000 0.480 622 A N 2.365 124.896 122.820 -0.482 0.000 1.971 622 A HA -0.195 4.125 4.320 0.000 0.000 0.222 622 A C 2.221 179.319 177.584 -0.811 0.000 1.182 622 A CA 1.940 53.576 52.037 -0.668 0.000 0.649 622 A CB -0.820 17.994 19.000 -0.310 0.000 0.818 622 A HN 0.642 nan 8.150 nan 0.000 0.458 623 R N -0.841 119.357 120.500 -0.504 0.000 2.241 623 R HA -0.105 4.235 4.340 0.000 0.000 0.224 623 R C 2.029 178.078 176.300 -0.418 0.000 1.101 623 R CA 0.932 56.809 56.100 -0.370 0.000 0.995 623 R CB -0.705 29.469 30.300 -0.209 0.000 0.870 623 R HN 0.552 nan 8.270 nan 0.000 0.463 624 G N 0.779 109.203 108.800 -0.625 0.000 2.679 624 G HA2 -0.107 3.853 3.960 0.000 0.000 0.212 624 G HA3 -0.107 3.853 3.960 0.000 0.000 0.212 624 G C 0.408 175.152 174.900 -0.260 0.000 1.137 624 G CA 0.098 44.943 45.100 -0.425 0.000 0.787 624 G HN 0.389 nan 8.290 nan 0.000 0.534 625 F N -1.198 118.603 119.950 -0.249 0.000 2.526 625 F HA 0.300 4.827 4.527 0.000 0.000 0.379 625 F C 1.079 176.385 175.800 -0.823 0.000 1.506 625 F CA -0.784 56.916 58.000 -0.500 0.000 1.076 625 F CB -0.484 38.178 39.000 -0.562 0.000 1.746 625 F HN -0.028 nan 8.300 nan 0.000 0.520 626 S N -0.194 115.278 115.700 -0.379 0.000 2.507 626 S HA -0.159 4.311 4.470 0.000 0.000 0.235 626 S C 1.613 176.171 174.600 -0.069 0.000 0.988 626 S CA 0.661 58.724 58.200 -0.228 0.000 0.944 626 S CB -0.829 62.322 63.200 -0.080 0.000 0.762 626 S HN 0.773 nan 8.310 nan 0.000 0.526 627 W N 1.933 123.188 121.300 -0.075 0.000 2.387 627 W HA -0.016 4.644 4.660 0.000 0.000 0.272 627 W C 1.493 177.905 176.519 -0.178 0.000 1.224 627 W CA 0.845 57.927 57.345 -0.437 0.000 1.210 627 W CB -0.823 27.676 29.460 -1.603 0.000 1.125 627 W HN 0.443 nan 8.180 nan 0.000 0.572 628 E N 1.372 121.156 120.200 -0.693 0.000 2.209 628 E HA -0.209 4.141 4.350 0.000 0.000 0.196 628 E C 2.132 178.653 176.600 -0.132 0.000 0.993 628 E CA 1.236 57.358 56.400 -0.463 0.000 0.819 628 E CB -0.160 29.190 29.700 -0.584 0.000 0.745 628 E HN 0.328 nan 8.360 nan 0.000 0.477 629 R N -0.802 119.595 120.500 -0.172 0.000 2.236 629 R HA -0.018 4.322 4.340 0.000 0.000 0.208 629 R C 0.018 176.126 176.300 -0.320 0.000 1.036 629 R CA 0.368 56.293 56.100 -0.291 0.000 1.001 629 R CB 0.158 30.165 30.300 -0.488 0.000 0.896 629 R HN 0.130 nan 8.270 nan 0.000 0.464 630 Y N 0.047 120.425 120.300 0.131 0.000 2.360 630 Y HA 0.136 4.686 4.550 0.000 0.000 0.337 630 Y C 1.378 177.425 175.900 0.244 0.000 1.039 630 Y CA -0.557 57.671 58.100 0.213 0.000 1.109 630 Y CB 1.490 40.131 38.460 0.302 0.000 1.201 630 Y HN -0.187 nan 8.280 nan 0.000 0.458 631 Q N 1.410 121.442 119.800 0.387 0.000 2.083 631 Q HA 0.020 4.360 4.340 0.000 0.000 0.198 631 Q C -0.673 175.534 176.000 0.345 0.000 0.969 631 Q CA 1.016 57.008 55.803 0.315 0.000 0.838 631 Q CB 0.358 29.242 28.738 0.243 0.000 0.900 631 Q HN 0.581 nan 8.270 nan 0.000 0.436 632 L N -1.587 119.900 121.223 0.440 0.000 2.643 632 L HA 0.615 4.955 4.340 0.000 0.000 0.257 632 L C -2.258 174.899 176.870 0.478 0.000 0.922 632 L CA -0.364 54.719 54.840 0.404 0.000 0.909 632 L CB 1.876 44.123 42.059 0.314 0.000 1.424 632 L HN -0.112 nan 8.230 nan 0.000 0.422 633 A N 3.638 126.714 122.820 0.428 0.000 2.515 633 A HA 0.902 5.222 4.320 0.000 0.000 0.298 633 A C -1.772 176.046 177.584 0.390 0.000 1.059 633 A CA -0.580 51.657 52.037 0.334 0.000 0.698 633 A CB 2.156 21.290 19.000 0.223 0.000 1.289 633 A HN 0.691 nan 8.150 nan 0.000 0.404 634 V N 1.923 121.990 119.914 0.254 0.000 2.444 634 V HA 0.746 4.866 4.120 0.000 0.000 0.294 634 V C 0.204 176.407 176.094 0.182 0.000 1.022 634 V CA 0.005 62.442 62.300 0.227 0.000 0.850 634 V CB 1.458 33.363 31.823 0.137 0.000 0.992 634 V HN 1.221 nan 8.190 nan 0.000 0.426 635 T N 1.270 115.978 114.554 0.256 0.000 2.887 635 T HA 0.573 4.923 4.350 0.000 0.000 0.292 635 T C -0.568 174.198 174.700 0.109 0.000 1.087 635 T CA -0.937 61.267 62.100 0.174 0.000 1.009 635 T CB 1.685 70.704 68.868 0.251 0.000 1.203 635 T HN 0.508 nan 8.240 nan 0.000 0.518 636 Q N 0.879 120.699 119.800 0.034 0.000 2.311 636 Q HA 0.224 4.564 4.340 0.000 0.000 0.272 636 Q C 0.063 176.075 176.000 0.020 0.000 1.012 636 Q CA -0.440 55.359 55.803 -0.007 0.000 0.891 636 Q CB 0.598 29.309 28.738 -0.044 0.000 1.201 636 Q HN 0.468 nan 8.270 nan 0.000 0.391 637 R N 3.222 123.721 120.500 -0.000 0.000 2.404 637 R HA 0.038 4.378 4.340 0.000 0.000 0.315 637 R C -1.028 175.255 176.300 -0.030 0.000 1.032 637 R CA 0.735 56.833 56.100 -0.003 0.000 0.992 637 R CB 0.209 30.485 30.300 -0.039 0.000 0.959 637 R HN 0.375 nan 8.270 nan 0.000 0.428 638 K N 3.516 123.896 120.400 -0.033 0.000 2.371 638 K HA 0.124 4.444 4.320 0.000 0.000 0.251 638 K C 0.032 176.609 176.600 -0.037 0.000 0.934 638 K CA -0.890 55.362 56.287 -0.059 0.000 0.798 638 K CB 1.936 34.371 32.500 -0.109 0.000 1.204 638 K HN 0.438 nan 8.250 nan 0.000 0.427 639 E N 1.666 121.850 120.200 -0.025 0.000 2.153 639 E HA -0.175 4.175 4.350 0.000 0.000 0.194 639 E C 0.332 176.936 176.600 0.005 0.000 0.988 639 E CA 1.655 58.057 56.400 0.004 0.000 0.811 639 E CB 0.241 29.943 29.700 0.004 0.000 0.746 639 E HN 0.489 nan 8.360 nan 0.000 0.466 640 E N 0.049 120.232 120.200 -0.030 0.000 2.502 640 E HA 0.049 4.399 4.350 0.000 0.000 0.194 640 E C -0.240 176.317 176.600 -0.072 0.000 1.062 640 E CA 0.279 56.659 56.400 -0.033 0.000 0.867 640 E CB 0.315 29.991 29.700 -0.040 0.000 0.888 640 E HN 0.233 nan 8.360 nan 0.000 0.510 641 E N 0.826 120.949 120.200 -0.129 0.000 3.898 641 E HA 0.087 4.438 4.350 0.000 0.000 0.219 641 E C -1.916 174.701 176.600 0.028 0.000 1.207 641 E CA -1.074 55.140 56.400 -0.310 0.000 1.240 641 E CB 0.806 29.941 29.700 -0.941 0.000 1.239 641 E HN 0.099 nan 8.360 nan 0.000 0.422 642 P HA 0.010 nan 4.420 nan 0.000 0.231 642 P C -0.057 177.479 177.300 0.393 0.000 1.168 642 P CA 0.458 63.711 63.100 0.255 0.000 0.779 642 P CB 0.555 32.383 31.700 0.214 0.000 0.844 643 S N -0.942 115.044 115.700 0.476 0.000 2.536 643 S HA 0.265 4.735 4.470 0.000 0.000 0.271 643 S C 0.578 175.521 174.600 0.573 0.000 1.134 643 S CA -0.403 58.100 58.200 0.505 0.000 0.897 643 S CB 1.711 65.109 63.200 0.330 0.000 1.094 643 S HN 0.038 nan 8.310 nan 0.000 0.473 644 S N 0.163 116.135 115.700 0.453 0.000 2.603 644 S HA 0.287 4.757 4.470 0.000 0.000 0.220 644 S C 0.682 175.363 174.600 0.136 0.000 0.967 644 S CA 0.134 58.457 58.200 0.205 0.000 0.920 644 S CB 0.033 63.262 63.200 0.049 0.000 0.773 644 S HN 0.539 nan 8.310 nan 0.000 0.529 645 S N -0.300 115.499 115.700 0.165 0.000 2.776 645 S HA 0.773 5.243 4.470 0.000 0.000 0.292 645 S C -1.480 173.216 174.600 0.160 0.000 1.187 645 S CA -0.268 58.026 58.200 0.156 0.000 0.834 645 S CB 1.698 64.958 63.200 0.101 0.000 1.199 645 S HN 0.433 nan 8.310 nan 0.000 0.514 646 S N -0.180 115.590 115.700 0.117 0.000 2.537 646 S HA 0.392 4.862 4.470 0.000 0.000 0.271 646 S C 0.339 174.889 174.600 -0.083 0.000 1.148 646 S CA 0.006 58.250 58.200 0.072 0.000 0.868 646 S CB 1.180 64.483 63.200 0.171 0.000 1.115 646 S HN 1.043 nan 8.310 nan 0.000 0.461 647 V N 4.046 123.753 119.914 -0.344 0.000 2.688 647 V HA 0.026 4.146 4.120 0.000 0.000 0.256 647 V C 1.097 176.835 176.094 -0.593 0.000 1.084 647 V CA 1.992 63.921 62.300 -0.619 0.000 1.103 647 V CB -0.859 30.222 31.823 -1.237 0.000 0.688 647 V HN 0.799 nan 8.190 nan 0.000 0.480 648 F N -0.272 119.587 119.950 -0.152 0.000 2.776 648 F HA 0.174 4.701 4.527 0.000 0.000 0.300 648 F C 1.957 177.677 175.800 -0.133 0.000 1.116 648 F CA 0.309 58.204 58.000 -0.175 0.000 1.375 648 F CB -0.364 38.515 39.000 -0.201 0.000 1.109 648 F HN 0.200 nan 8.300 nan 0.000 0.585 649 N N 0.470 119.192 118.700 0.037 0.000 2.244 649 N HA -0.173 4.567 4.740 0.000 0.000 0.183 649 N C 1.859 177.355 175.510 -0.023 0.000 1.016 649 N CA 0.792 53.855 53.050 0.022 0.000 0.866 649 N CB -0.331 38.196 38.487 0.066 0.000 0.980 649 N HN 0.230 nan 8.380 nan 0.000 0.430 650 Q N 1.014 120.787 119.800 -0.044 0.000 2.061 650 Q HA -0.013 4.327 4.340 0.000 0.000 0.204 650 Q C 0.738 176.685 176.000 -0.087 0.000 0.984 650 Q CA 1.614 57.377 55.803 -0.068 0.000 0.846 650 Q CB -0.217 28.432 28.738 -0.148 0.000 0.902 650 Q HN 0.237 nan 8.270 nan 0.000 0.421 651 N N 0.164 118.823 118.700 -0.068 0.000 2.398 651 N HA 0.028 4.768 4.740 0.000 0.000 0.188 651 N C -0.700 174.871 175.510 0.102 0.000 1.122 651 N CA 0.539 53.590 53.050 0.001 0.000 0.866 651 N CB 0.549 39.019 38.487 -0.029 0.000 0.970 651 N HN 0.194 nan 8.380 nan 0.000 0.462 652 D N -1.149 119.267 120.400 0.027 0.000 3.118 652 D HA 0.200 4.841 4.640 0.000 0.000 0.286 652 D C -2.153 174.097 176.300 -0.083 0.000 1.255 652 D CA -1.388 52.688 54.000 0.127 0.000 0.748 652 D CB 0.865 41.800 40.800 0.223 0.000 1.332 652 D HN -0.081 nan 8.370 nan 0.000 0.575 653 P HA -0.032 nan 4.420 nan 0.000 0.222 653 P C 1.559 178.606 177.300 -0.421 0.000 1.147 653 P CA 0.656 63.465 63.100 -0.485 0.000 0.790 653 P CB 0.050 31.333 31.700 -0.695 0.000 0.780 654 W N 0.246 121.524 121.300 -0.038 0.000 2.388 654 W HA 0.168 4.828 4.660 0.000 0.000 0.294 654 W C 0.784 177.278 176.519 -0.041 0.000 1.212 654 W CA 0.667 57.982 57.345 -0.050 0.000 1.271 654 W CB -0.875 28.564 29.460 -0.036 0.000 1.126 654 W HN -0.065 nan 8.180 nan 0.000 0.535 655 A N 1.317 124.256 122.820 0.198 0.000 2.664 655 A HA 0.505 4.825 4.320 0.000 0.000 0.338 655 A C -2.504 175.103 177.584 0.039 0.000 1.280 655 A CA -1.286 50.814 52.037 0.104 0.000 0.809 655 A CB -0.079 18.998 19.000 0.129 0.000 1.114 655 A HN -0.277 nan 8.150 nan 0.000 0.479 656 P HA 0.145 nan 4.420 nan 0.000 0.266 656 P C 0.886 178.188 177.300 0.003 0.000 1.195 656 P CA 0.343 63.429 63.100 -0.023 0.000 0.768 656 P CB 0.876 32.546 31.700 -0.051 0.000 0.838 657 T N 0.117 114.681 114.554 0.017 0.000 2.976 657 T HA 0.084 4.434 4.350 0.000 0.000 0.257 657 T C 0.681 175.449 174.700 0.113 0.000 1.051 657 T CA 0.717 62.820 62.100 0.005 0.000 1.141 657 T CB 0.185 69.040 68.868 -0.022 0.000 0.881 657 T HN 0.157 nan 8.240 nan 0.000 0.461 658 V N 2.262 122.246 119.914 0.118 0.000 2.531 658 V HA 0.471 4.591 4.120 0.000 0.000 0.301 658 V C -1.259 174.848 176.094 0.021 0.000 1.034 658 V CA -1.148 61.228 62.300 0.126 0.000 0.865 658 V CB 2.015 33.954 31.823 0.193 0.000 0.995 658 V HN 0.183 nan 8.190 nan 0.000 0.424 659 D N 3.006 123.367 120.400 -0.066 0.000 2.462 659 D HA 0.232 4.872 4.640 0.000 0.000 0.245 659 D C 0.499 176.585 176.300 -0.358 0.000 1.122 659 D CA -0.548 53.370 54.000 -0.137 0.000 0.864 659 D CB 1.366 42.104 40.800 -0.104 0.000 1.098 659 D HN 0.349 nan 8.370 nan 0.000 0.541 660 F N 3.554 123.206 119.950 -0.496 0.000 2.120 660 F HA -0.246 4.282 4.527 0.000 0.000 0.300 660 F C 2.273 177.655 175.800 -0.697 0.000 1.095 660 F CA 2.214 59.711 58.000 -0.838 0.000 1.249 660 F CB -0.213 38.528 39.000 -0.432 0.000 0.995 660 F HN 0.408 nan 8.300 nan 0.000 0.480 661 S N -0.637 114.825 115.700 -0.397 0.000 2.440 661 S HA -0.209 4.261 4.470 0.000 0.000 0.238 661 S C 1.615 176.017 174.600 -0.330 0.000 1.010 661 S CA 1.293 59.294 58.200 -0.331 0.000 0.972 661 S CB -0.779 62.413 63.200 -0.014 0.000 0.774 661 S HN 0.436 nan 8.310 nan 0.000 0.501 662 D N 1.225 121.442 120.400 -0.306 0.000 2.221 662 D HA -0.031 4.610 4.640 0.000 0.000 0.204 662 D C 1.170 177.479 176.300 0.014 0.000 0.982 662 D CA 0.757 54.688 54.000 -0.116 0.000 0.857 662 D CB -0.366 40.421 40.800 -0.020 0.000 0.934 662 D HN 0.443 nan 8.370 nan 0.000 0.475 663 F N 0.296 119.997 119.950 -0.415 0.000 2.407 663 F HA 0.134 4.661 4.527 0.000 0.000 0.299 663 F C 1.244 176.815 175.800 -0.382 0.000 1.097 663 F CA -0.206 57.539 58.000 -0.426 0.000 1.422 663 F CB -0.697 37.907 39.000 -0.659 0.000 1.067 663 F HN -0.091 nan 8.300 nan 0.000 0.539 664 I N 2.569 122.985 120.570 -0.256 0.000 2.276 664 I HA 0.128 4.298 4.170 0.000 0.000 0.290 664 I C -0.056 175.988 176.117 -0.121 0.000 1.109 664 I CA -0.479 60.691 61.300 -0.217 0.000 1.229 664 I CB -0.368 37.445 38.000 -0.312 0.000 1.452 664 I HN -0.009 nan 8.210 nan 0.000 0.497 665 N N 3.928 122.580 118.700 -0.080 0.000 2.906 665 N HA 0.182 4.922 4.740 0.000 0.000 0.327 665 N C 0.061 175.539 175.510 -0.052 0.000 1.344 665 N CA -0.956 52.061 53.050 -0.055 0.000 0.823 665 N CB 0.318 38.781 38.487 -0.040 0.000 1.351 665 N HN 0.237 nan 8.380 nan 0.000 0.604 666 N N -0.594 118.081 118.700 -0.042 0.000 2.535 666 N HA -0.026 4.714 4.740 0.000 0.000 0.203 666 N C -0.688 174.797 175.510 -0.043 0.000 1.301 666 N CA 0.115 53.141 53.050 -0.040 0.000 0.859 666 N CB 0.176 38.644 38.487 -0.031 0.000 1.055 666 N HN 0.459 nan 8.380 nan 0.000 0.457 667 E N 0.362 120.534 120.200 -0.048 0.000 2.373 667 E HA 0.016 4.366 4.350 0.000 0.000 0.263 667 E C 0.196 176.760 176.600 -0.059 0.000 1.073 667 E CA 0.049 56.418 56.400 -0.051 0.000 0.894 667 E CB 0.901 30.570 29.700 -0.052 0.000 1.008 667 E HN -0.057 nan 8.360 nan 0.000 0.420 668 T N 1.106 115.621 114.554 -0.065 0.000 2.919 668 T HA 0.226 4.576 4.350 0.000 0.000 0.302 668 T C 0.680 175.313 174.700 -0.110 0.000 1.031 668 T CA -0.279 61.772 62.100 -0.082 0.000 1.127 668 T CB 0.127 68.947 68.868 -0.081 0.000 0.952 668 T HN 0.501 nan 8.240 nan 0.000 0.540 669 I N 1.775 122.267 120.570 -0.131 0.000 3.833 669 I HA 0.567 4.737 4.170 0.000 0.000 0.328 669 I C 0.602 176.548 176.117 -0.286 0.000 1.554 669 I CA -0.899 60.299 61.300 -0.170 0.000 1.116 669 I CB 0.212 38.148 38.000 -0.106 0.000 1.182 669 I HN 0.506 nan 8.210 nan 0.000 0.459 670 A N 1.915 124.557 122.820 -0.297 0.000 2.621 670 A HA 0.674 4.994 4.320 0.000 0.000 0.329 670 A C 1.052 178.172 177.584 -0.773 0.000 1.458 670 A CA 0.179 51.952 52.037 -0.440 0.000 1.052 670 A CB -0.804 18.166 19.000 -0.051 0.000 1.142 670 A HN 1.039 nan 8.150 nan 0.000 0.523 671 G N 1.758 109.588 108.800 -1.616 0.000 2.600 671 G HA2 -0.100 3.861 3.960 0.000 0.000 0.251 671 G HA3 -0.100 3.861 3.960 0.000 0.000 0.251 671 G C -0.386 174.088 174.900 -0.711 0.000 1.142 671 G CA -0.079 44.045 45.100 -1.627 0.000 0.994 671 G HN 0.651 nan 8.290 nan 0.000 0.511 672 K N -0.576 119.488 120.400 -0.561 0.000 2.522 672 K HA 0.408 4.728 4.320 0.000 0.000 0.275 672 K C -1.066 175.414 176.600 -0.200 0.000 1.006 672 K CA -1.038 55.077 56.287 -0.286 0.000 0.890 672 K CB 1.410 33.779 32.500 -0.219 0.000 1.475 672 K HN 0.141 nan 8.250 nan 0.000 0.441 673 D N 2.069 122.395 120.400 -0.123 0.000 2.346 673 D HA 0.165 4.805 4.640 0.000 0.000 0.260 673 D C -0.548 175.710 176.300 -0.070 0.000 1.252 673 D CA 0.192 54.143 54.000 -0.081 0.000 0.895 673 D CB 0.005 40.761 40.800 -0.073 0.000 1.097 673 D HN 0.259 nan 8.370 nan 0.000 0.489 674 L N 3.377 124.569 121.223 -0.052 0.000 2.334 674 L HA 0.561 4.901 4.340 0.000 0.000 0.275 674 L C -0.066 176.783 176.870 -0.035 0.000 1.036 674 L CA -1.224 53.597 54.840 -0.032 0.000 0.807 674 L CB 1.906 43.953 42.059 -0.019 0.000 1.231 674 L HN 0.137 nan 8.230 nan 0.000 0.438 675 V N 1.990 121.881 119.914 -0.038 0.000 2.656 675 V HA 0.831 4.951 4.120 0.000 0.000 0.307 675 V C -0.397 175.590 176.094 -0.178 0.000 1.051 675 V CA -0.295 61.903 62.300 -0.170 0.000 0.893 675 V CB 1.850 33.495 31.823 -0.296 0.000 0.999 675 V HN 0.876 nan 8.190 nan 0.000 0.426 676 A N 5.762 128.433 122.820 -0.249 0.000 2.312 676 A HA 0.867 5.187 4.320 0.000 0.000 0.328 676 A C -1.564 175.829 177.584 -0.318 0.000 1.158 676 A CA -0.545 51.414 52.037 -0.131 0.000 0.821 676 A CB 0.847 19.811 19.000 -0.060 0.000 1.170 676 A HN 0.926 nan 8.150 nan 0.000 0.490 677 W N 1.491 122.800 121.300 0.016 0.000 2.538 677 W HA 0.549 5.209 4.660 0.000 0.000 0.322 677 W C -0.898 175.563 176.519 -0.096 0.000 1.028 677 W CA -0.551 56.734 57.345 -0.101 0.000 1.228 677 W CB 1.840 31.360 29.460 0.100 0.000 1.356 677 W HN 0.405 nan 8.180 nan 0.000 0.452 678 V N 3.229 123.104 119.914 -0.064 0.000 2.448 678 V HA 0.542 4.662 4.120 0.000 0.000 0.295 678 V C -0.020 176.236 176.094 0.269 0.000 1.025 678 V CA -0.713 61.586 62.300 -0.001 0.000 0.859 678 V CB 1.636 33.172 31.823 -0.477 0.000 0.988 678 V HN 0.501 nan 8.190 nan 0.000 0.431 679 T N 4.015 118.811 114.554 0.402 0.000 2.829 679 T HA 0.778 5.128 4.350 0.000 0.000 0.282 679 T C -0.112 174.855 174.700 0.445 0.000 0.990 679 T CA -0.322 62.084 62.100 0.509 0.000 1.028 679 T CB 1.587 70.779 68.868 0.541 0.000 0.951 679 T HN 0.997 nan 8.240 nan 0.000 0.460 680 A N 1.812 124.952 122.820 0.533 0.000 2.437 680 A HA 0.933 5.253 4.320 0.000 0.000 0.293 680 A C -0.071 177.892 177.584 0.633 0.000 1.038 680 A CA -0.416 51.944 52.037 0.537 0.000 0.708 680 A CB 1.584 20.944 19.000 0.599 0.000 1.251 680 A HN 1.191 nan 8.150 nan 0.000 0.409 681 G N 0.140 109.258 108.800 0.529 0.000 2.489 681 G HA2 0.822 4.782 3.960 0.000 0.000 0.305 681 G HA3 0.822 4.782 3.960 0.000 0.000 0.305 681 G C -1.242 173.985 174.900 0.545 0.000 1.311 681 G CA 0.153 45.572 45.100 0.532 0.000 0.813 681 G HN 1.994 nan 8.290 nan 0.000 0.480 682 F N -1.993 118.106 119.950 0.249 0.000 2.719 682 F HA 0.738 5.265 4.527 0.000 0.000 0.309 682 F C -1.359 174.510 175.800 0.115 0.000 1.138 682 F CA -1.419 56.683 58.000 0.170 0.000 0.943 682 F CB 1.355 40.400 39.000 0.076 0.000 1.304 682 F HN 0.634 nan 8.300 nan 0.000 0.445 683 L N 2.691 124.025 121.223 0.185 0.000 2.380 683 L HA 0.428 4.768 4.340 0.000 0.000 0.273 683 L C -0.811 176.154 176.870 0.158 0.000 1.138 683 L CA 0.228 55.093 54.840 0.042 0.000 0.832 683 L CB 0.576 42.664 42.059 0.047 0.000 1.124 683 L HN 0.855 nan 8.230 nan 0.000 0.454 684 H N 5.608 124.542 119.070 -0.228 0.000 2.800 684 H HA 0.434 4.990 4.556 0.000 0.000 0.322 684 H C -1.064 174.114 175.328 -0.250 0.000 0.979 684 H CA -0.946 54.994 56.048 -0.180 0.000 1.277 684 H CB 0.922 30.530 29.762 -0.256 0.000 1.484 684 H HN 0.637 nan 8.280 nan 0.000 0.512 685 I N 8.017 128.689 120.570 0.170 0.000 2.307 685 I HA 0.217 4.387 4.170 0.000 0.000 0.287 685 I C -2.263 173.978 176.117 0.207 0.000 1.054 685 I CA -2.035 59.311 61.300 0.077 0.000 1.218 685 I CB 0.989 39.030 38.000 0.068 0.000 1.398 685 I HN 0.431 nan 8.210 nan 0.000 0.475 686 P HA 0.069 nan 4.420 nan 0.000 0.268 686 P C -1.127 176.262 177.300 0.149 0.000 1.208 686 P CA 0.366 63.459 63.100 -0.012 0.000 0.777 686 P CB 0.340 31.974 31.700 -0.109 0.000 0.875 687 H N -1.433 117.683 119.070 0.077 0.000 3.008 687 H HA 0.676 5.232 4.556 0.000 0.000 0.354 687 H C 0.842 176.195 175.328 0.041 0.000 1.252 687 H CA -1.022 55.054 56.048 0.046 0.000 1.117 687 H CB 0.418 30.207 29.762 0.044 0.000 1.857 687 H HN 0.229 nan 8.280 nan 0.000 0.547 688 A N 0.638 123.513 122.820 0.092 0.000 1.971 688 A HA -0.289 4.031 4.320 0.000 0.000 0.222 688 A C 1.558 179.138 177.584 -0.006 0.000 1.182 688 A CA 2.292 54.349 52.037 0.034 0.000 0.649 688 A CB -0.927 18.105 19.000 0.054 0.000 0.818 688 A HN 0.830 nan 8.150 nan 0.000 0.458 689 E N 0.411 120.624 120.200 0.021 0.000 2.472 689 E HA -0.063 4.287 4.350 0.000 0.000 0.200 689 E C 0.575 177.091 176.600 -0.139 0.000 1.046 689 E CA 0.764 57.159 56.400 -0.009 0.000 0.871 689 E CB -0.068 29.719 29.700 0.145 0.000 0.806 689 E HN 0.559 nan 8.360 nan 0.000 0.533 690 D N 0.091 120.336 120.400 -0.258 0.000 2.324 690 D HA 0.001 4.641 4.640 0.000 0.000 0.235 690 D C -0.109 176.125 176.300 -0.110 0.000 1.095 690 D CA 0.379 54.270 54.000 -0.181 0.000 0.871 690 D CB 0.402 41.109 40.800 -0.155 0.000 0.906 690 D HN 0.121 nan 8.370 nan 0.000 0.522 691 I N 2.039 122.559 120.570 -0.084 0.000 2.418 691 I HA 0.137 4.307 4.170 0.000 0.000 0.287 691 I C -1.378 174.710 176.117 -0.047 0.000 1.008 691 I CA -2.071 59.199 61.300 -0.050 0.000 1.104 691 I CB 1.768 39.757 38.000 -0.019 0.000 1.264 691 I HN -0.286 nan 8.210 nan 0.000 0.438 692 P HA 0.008 nan 4.420 nan 0.000 0.222 692 P C 0.028 177.119 177.300 -0.348 0.000 1.153 692 P CA 0.906 63.943 63.100 -0.104 0.000 0.798 692 P CB 0.821 32.472 31.700 -0.081 0.000 0.796 693 N N -1.394 117.121 118.700 -0.308 0.000 2.321 693 N HA 0.243 4.983 4.740 0.000 0.000 0.290 693 N C -0.906 174.489 175.510 -0.192 0.000 1.212 693 N CA -0.563 52.275 53.050 -0.352 0.000 0.767 693 N CB 1.756 40.021 38.487 -0.369 0.000 1.494 693 N HN -0.287 nan 8.380 nan 0.000 0.479 694 T N 1.107 115.576 114.554 -0.142 0.000 2.834 694 T HA 0.174 4.524 4.350 0.000 0.000 0.298 694 T C 0.576 175.201 174.700 -0.125 0.000 0.966 694 T CA -0.531 61.518 62.100 -0.086 0.000 1.141 694 T CB 0.345 69.225 68.868 0.020 0.000 0.905 694 T HN 0.301 nan 8.240 nan 0.000 0.535 695 V N 1.847 121.688 119.914 -0.123 0.000 2.904 695 V HA 0.460 4.580 4.120 0.000 0.000 0.305 695 V C 1.343 177.346 176.094 -0.151 0.000 1.067 695 V CA -0.251 61.970 62.300 -0.132 0.000 1.044 695 V CB 0.888 32.646 31.823 -0.109 0.000 1.050 695 V HN 0.957 nan 8.190 nan 0.000 0.475 696 T N -0.768 113.681 114.554 -0.176 0.000 3.100 696 T HA 0.132 4.482 4.350 0.000 0.000 0.253 696 T C 0.582 175.193 174.700 -0.149 0.000 1.118 696 T CA 0.213 62.197 62.100 -0.194 0.000 1.058 696 T CB -0.379 68.244 68.868 -0.409 0.000 0.953 696 T HN 0.578 nan 8.240 nan 0.000 0.515 697 V N 2.439 122.264 119.914 -0.149 0.000 2.493 697 V HA 0.417 4.537 4.120 0.000 0.000 0.292 697 V C 1.791 177.791 176.094 -0.157 0.000 1.016 697 V CA 1.070 63.296 62.300 -0.124 0.000 1.097 697 V CB -0.342 31.419 31.823 -0.104 0.000 0.947 697 V HN 0.822 nan 8.190 nan 0.000 0.479 698 G N 4.710 113.425 108.800 -0.143 0.000 2.212 698 G HA2 -0.290 3.670 3.960 0.000 0.000 0.266 698 G HA3 -0.290 3.670 3.960 0.000 0.000 0.266 698 G C 0.649 175.318 174.900 -0.385 0.000 0.978 698 G CA 0.469 45.434 45.100 -0.225 0.000 0.632 698 G HN 0.653 nan 8.290 nan 0.000 0.537 699 N N 0.994 119.472 118.700 -0.369 0.000 2.214 699 N HA 0.263 5.004 4.740 0.000 0.000 0.214 699 N C 1.075 176.224 175.510 -0.601 0.000 1.132 699 N CA 0.726 53.379 53.050 -0.663 0.000 0.856 699 N CB 0.531 38.633 38.487 -0.640 0.000 1.020 699 N HN 0.581 nan 8.380 nan 0.000 0.509 700 G N 0.856 109.409 108.800 -0.411 0.000 2.355 700 G HA2 0.445 4.405 3.960 0.000 0.000 0.276 700 G HA3 0.445 4.405 3.960 0.000 0.000 0.276 700 G C 0.238 174.814 174.900 -0.542 0.000 1.198 700 G CA -0.173 44.428 45.100 -0.832 0.000 0.876 700 G HN 0.003 nan 8.290 nan 0.000 0.478 701 V N 0.798 120.357 119.914 -0.592 0.000 3.141 701 V HA 1.078 5.198 4.120 0.000 0.000 0.312 701 V C 0.528 176.515 176.094 -0.178 0.000 1.157 701 V CA 0.100 62.269 62.300 -0.219 0.000 1.041 701 V CB 1.423 33.266 31.823 0.035 0.000 1.071 701 V HN 1.794 nan 8.190 nan 0.000 0.441 702 G N 0.957 109.738 108.800 -0.031 0.000 2.534 702 G HA2 0.504 4.464 3.960 0.000 0.000 0.142 702 G HA3 0.504 4.464 3.960 0.000 0.000 0.142 702 G C -1.213 173.684 174.900 -0.005 0.000 1.178 702 G CA 0.183 45.220 45.100 -0.104 0.000 1.037 702 G HN 2.233 nan 8.290 nan 0.000 0.474 703 F N -2.069 117.679 119.950 -0.336 0.000 2.770 703 F HA 0.821 5.348 4.527 0.000 0.000 0.313 703 F C -1.793 173.773 175.800 -0.390 0.000 1.154 703 F CA -1.853 55.996 58.000 -0.251 0.000 0.923 703 F CB 0.905 39.805 39.000 -0.166 0.000 1.301 703 F HN 0.489 nan 8.300 nan 0.000 0.449 704 F N 1.780 121.757 119.950 0.045 0.000 2.492 704 F HA 0.733 5.260 4.527 0.000 0.000 0.327 704 F C -0.503 175.372 175.800 0.124 0.000 1.079 704 F CA -0.942 57.042 58.000 -0.026 0.000 0.967 704 F CB 2.047 40.998 39.000 -0.082 0.000 1.169 704 F HN 0.363 nan 8.300 nan 0.000 0.472 705 L N 4.783 126.195 121.223 0.315 0.000 2.318 705 L HA 0.559 4.899 4.340 0.000 0.000 0.277 705 L C -0.655 176.431 176.870 0.359 0.000 1.008 705 L CA -0.647 54.394 54.840 0.336 0.000 0.846 705 L CB 0.989 43.224 42.059 0.295 0.000 1.220 705 L HN 0.533 nan 8.230 nan 0.000 0.423 706 R N 3.772 124.384 120.500 0.186 0.000 2.562 706 R HA 0.507 4.847 4.340 0.000 0.000 0.298 706 R C -2.705 173.334 176.300 -0.435 0.000 0.961 706 R CA -2.047 54.025 56.100 -0.047 0.000 0.881 706 R CB 1.899 32.141 30.300 -0.096 0.000 1.159 706 R HN 0.238 nan 8.270 nan 0.000 0.450 707 P HA -0.032 nan 4.420 nan 0.000 0.271 707 P C -1.304 175.877 177.300 -0.198 0.000 1.220 707 P CA 0.165 62.755 63.100 -0.851 0.000 0.768 707 P CB 0.412 32.020 31.700 -0.153 0.000 0.848 708 Y N 3.913 124.048 120.300 -0.274 0.000 2.445 708 Y HA 0.210 4.760 4.550 0.000 0.000 0.332 708 Y C 0.357 176.179 175.900 -0.131 0.000 1.037 708 Y CA -0.426 57.552 58.100 -0.202 0.000 1.296 708 Y CB 0.338 38.596 38.460 -0.336 0.000 1.099 708 Y HN 0.378 nan 8.280 nan 0.000 0.496 709 N N 3.592 122.110 118.700 -0.303 0.000 2.714 709 N HA -0.325 4.415 4.740 0.000 0.000 0.250 709 N C 0.488 176.006 175.510 0.013 0.000 1.117 709 N CA 1.568 54.516 53.050 -0.171 0.000 0.719 709 N CB -1.619 36.678 38.487 -0.316 0.000 1.081 709 N HN 0.803 nan 8.380 nan 0.000 0.557 710 F N 0.010 119.911 119.950 -0.081 0.000 2.149 710 F HA 0.148 4.675 4.527 0.000 0.000 0.294 710 F C 0.976 176.616 175.800 -0.267 0.000 1.095 710 F CA 0.912 58.816 58.000 -0.159 0.000 1.276 710 F CB 0.134 38.995 39.000 -0.231 0.000 1.023 710 F HN -0.022 nan 8.300 nan 0.000 0.480 711 F N 0.498 120.545 119.950 0.162 0.000 2.364 711 F HA 0.214 4.741 4.527 0.000 0.000 0.316 711 F C 1.418 177.243 175.800 0.041 0.000 1.133 711 F CA -0.647 57.410 58.000 0.095 0.000 1.051 711 F CB 0.131 39.255 39.000 0.207 0.000 1.342 711 F HN -0.247 nan 8.300 nan 0.000 0.507 712 D N -0.751 119.809 120.400 0.268 0.000 2.366 712 D HA 0.054 4.694 4.640 0.000 0.000 0.205 712 D C 0.093 176.604 176.300 0.351 0.000 1.022 712 D CA 0.625 54.723 54.000 0.164 0.000 0.868 712 D CB 0.304 41.086 40.800 -0.030 0.000 0.953 712 D HN 0.677 nan 8.370 nan 0.000 0.514 713 E N -0.078 120.295 120.200 0.288 0.000 2.439 713 E HA 0.169 4.519 4.350 0.000 0.000 0.279 713 E C -1.569 175.103 176.600 0.119 0.000 1.077 713 E CA -0.828 55.674 56.400 0.170 0.000 0.849 713 E CB 0.973 30.717 29.700 0.075 0.000 1.408 713 E HN -0.248 nan 8.360 nan 0.000 0.457 714 D N 1.542 121.956 120.400 0.023 0.000 2.401 714 D HA 0.104 4.744 4.640 0.000 0.000 0.254 714 D C -1.263 175.038 176.300 0.001 0.000 1.192 714 D CA -1.942 52.037 54.000 -0.034 0.000 0.885 714 D CB 1.206 41.990 40.800 -0.026 0.000 1.147 714 D HN 0.158 nan 8.370 nan 0.000 0.478 715 P HA -0.163 nan 4.420 nan 0.000 0.225 715 P C 1.125 178.539 177.300 0.190 0.000 1.148 715 P CA 0.754 63.908 63.100 0.090 0.000 0.779 715 P CB -0.057 31.604 31.700 -0.064 0.000 0.780 716 S N -1.184 114.579 115.700 0.104 0.000 2.507 716 S HA -0.159 4.311 4.470 0.000 0.000 0.235 716 S C 1.769 176.415 174.600 0.078 0.000 0.988 716 S CA 0.103 58.367 58.200 0.108 0.000 0.944 716 S CB -1.556 61.698 63.200 0.089 0.000 0.762 716 S HN -0.013 nan 8.310 nan 0.000 0.526 717 F N 2.057 121.942 119.950 -0.108 0.000 2.154 717 F HA -0.051 4.476 4.527 0.000 0.000 0.301 717 F C 1.337 176.967 175.800 -0.283 0.000 1.087 717 F CA 1.107 58.950 58.000 -0.262 0.000 1.274 717 F CB -0.544 38.186 39.000 -0.450 0.000 1.009 717 F HN 0.287 nan 8.300 nan 0.000 0.485 718 Y N -0.276 119.955 120.300 -0.114 0.000 2.470 718 Y HA 0.185 4.735 4.550 0.000 0.000 0.284 718 Y C 1.392 177.215 175.900 -0.128 0.000 1.188 718 Y CA 0.034 58.024 58.100 -0.183 0.000 1.269 718 Y CB -0.488 37.952 38.460 -0.035 0.000 1.094 718 Y HN -0.077 nan 8.280 nan 0.000 0.518 719 S N 0.567 116.275 115.700 0.013 0.000 2.562 719 S HA 0.239 4.709 4.470 0.000 0.000 0.281 719 S C 1.487 176.089 174.600 0.005 0.000 1.333 719 S CA 0.159 58.378 58.200 0.031 0.000 1.052 719 S CB 1.045 64.273 63.200 0.046 0.000 0.884 719 S HN 0.470 nan 8.310 nan 0.000 0.506 720 A N 3.428 126.261 122.820 0.022 0.000 2.121 720 A HA 0.025 4.345 4.320 0.000 0.000 0.218 720 A C 1.395 178.997 177.584 0.031 0.000 1.154 720 A CA 1.220 53.268 52.037 0.018 0.000 0.679 720 A CB -0.220 18.791 19.000 0.020 0.000 0.795 720 A HN 0.872 nan 8.150 nan 0.000 0.458 721 D N -0.684 119.743 120.400 0.046 0.000 2.398 721 D HA 0.088 4.728 4.640 0.000 0.000 0.210 721 D C 0.729 177.077 176.300 0.080 0.000 1.094 721 D CA 0.344 54.383 54.000 0.066 0.000 0.839 721 D CB 0.174 41.020 40.800 0.077 0.000 0.963 721 D HN 0.345 nan 8.370 nan 0.000 0.506 722 S N 0.621 116.357 115.700 0.059 0.000 2.563 722 S HA 0.176 4.646 4.470 0.000 0.000 0.284 722 S C 0.017 174.686 174.600 0.115 0.000 1.331 722 S CA -0.005 58.235 58.200 0.067 0.000 1.047 722 S CB 0.433 63.630 63.200 -0.005 0.000 0.859 722 S HN 0.020 nan 8.310 nan 0.000 0.514 723 I N 3.536 124.211 120.570 0.174 0.000 2.545 723 I HA 0.540 4.710 4.170 0.000 0.000 0.292 723 I C -1.102 175.205 176.117 0.316 0.000 1.040 723 I CA -0.605 60.857 61.300 0.271 0.000 1.068 723 I CB 2.083 40.289 38.000 0.344 0.000 1.251 723 I HN 0.786 nan 8.210 nan 0.000 0.424 724 Y N 7.563 127.985 120.300 0.205 0.000 2.482 724 Y HA 0.700 5.250 4.550 0.000 0.000 0.334 724 Y C -1.879 174.177 175.900 0.262 0.000 1.091 724 Y CA -1.240 56.924 58.100 0.108 0.000 1.027 724 Y CB 1.595 40.079 38.460 0.040 0.000 1.306 724 Y HN 0.445 nan 8.280 nan 0.000 0.446 725 F N 2.314 121.838 119.950 -0.709 0.000 2.703 725 F HA 0.787 5.314 4.527 0.000 0.000 0.308 725 F C -1.501 173.986 175.800 -0.523 0.000 1.126 725 F CA -1.446 56.256 58.000 -0.497 0.000 0.959 725 F CB 1.204 40.127 39.000 -0.128 0.000 1.297 725 F HN 0.445 nan 8.300 nan 0.000 0.441 726 R N 0.199 120.670 120.500 -0.049 0.000 2.608 726 R HA 0.597 4.937 4.340 0.000 0.000 0.255 726 R C 1.176 177.590 176.300 0.190 0.000 1.086 726 R CA -0.483 55.658 56.100 0.067 0.000 1.125 726 R CB 1.040 31.409 30.300 0.115 0.000 1.193 726 R HN 1.014 nan 8.270 nan 0.000 0.553 727 G N 0.271 109.169 108.800 0.163 0.000 2.471 727 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 727 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 727 G C 0.580 175.521 174.900 0.069 0.000 1.125 727 G CA 0.753 45.926 45.100 0.122 0.000 0.775 727 G HN 0.758 nan 8.290 nan 0.000 0.548 728 D N -0.571 119.872 120.400 0.071 0.000 2.339 728 D HA 0.054 4.694 4.640 0.000 0.000 0.217 728 D C 0.941 177.272 176.300 0.052 0.000 1.050 728 D CA 0.011 54.040 54.000 0.047 0.000 0.856 728 D CB -0.069 40.758 40.800 0.045 0.000 0.922 728 D HN 0.288 nan 8.370 nan 0.000 0.518 729 Q N 0.242 120.085 119.800 0.072 0.000 2.245 729 Q HA 0.223 4.563 4.340 0.000 0.000 0.256 729 Q C -0.940 175.070 176.000 0.018 0.000 0.942 729 Q CA -0.853 54.986 55.803 0.060 0.000 0.896 729 Q CB 1.619 30.417 28.738 0.099 0.000 1.272 729 Q HN -0.061 nan 8.270 nan 0.000 0.442 730 D N 1.220 121.613 120.400 -0.011 0.000 2.367 730 D HA 0.091 4.731 4.640 0.000 0.000 0.255 730 D C 0.420 176.641 176.300 -0.131 0.000 1.300 730 D CA 0.087 54.052 54.000 -0.059 0.000 0.959 730 D CB 0.787 41.563 40.800 -0.040 0.000 1.064 730 D HN 0.652 nan 8.370 nan 0.000 0.509 731 A N 3.091 125.756 122.820 -0.258 0.000 2.125 731 A HA 0.022 4.342 4.320 0.000 0.000 0.219 731 A C 1.961 179.321 177.584 -0.374 0.000 1.156 731 A CA 1.254 52.953 52.037 -0.563 0.000 0.671 731 A CB -0.129 18.256 19.000 -1.025 0.000 0.794 731 A HN 0.578 nan 8.150 nan 0.000 0.459 732 G N -1.078 107.592 108.800 -0.217 0.000 2.838 732 G HA2 0.391 4.351 3.960 0.000 0.000 0.210 732 G HA3 0.391 4.351 3.960 0.000 0.000 0.210 732 G C 0.655 175.501 174.900 -0.090 0.000 1.153 732 G CA 0.579 45.594 45.100 -0.141 0.000 0.778 732 G HN 0.739 nan 8.290 nan 0.000 0.539 733 A N -0.488 122.286 122.820 -0.078 0.000 2.354 733 A HA 0.406 4.726 4.320 0.000 0.000 0.269 733 A C 1.562 179.130 177.584 -0.027 0.000 1.109 733 A CA 0.090 52.103 52.037 -0.039 0.000 0.800 733 A CB 0.620 19.606 19.000 -0.024 0.000 1.045 733 A HN 0.395 nan 8.150 nan 0.000 0.489 734 c N 1.384 119.978 118.600 -0.009 0.000 2.440 734 c HA -0.047 4.523 4.570 0.000 0.000 0.278 734 c C 2.088 176.190 174.090 0.021 0.000 1.295 734 c CA 1.561 57.893 56.329 0.005 0.000 1.738 734 c CB -1.178 41.337 42.510 0.008 0.000 1.987 734 c HN 0.996 nan 8.230 nan 0.000 0.492 735 E N -0.152 120.061 120.200 0.023 0.000 2.204 735 E HA -0.120 4.230 4.350 0.000 0.000 0.194 735 E C 2.070 178.701 176.600 0.052 0.000 0.989 735 E CA 1.261 57.682 56.400 0.035 0.000 0.824 735 E CB 0.173 29.891 29.700 0.030 0.000 0.756 735 E HN 0.613 nan 8.360 nan 0.000 0.477 736 V N 0.920 120.863 119.914 0.049 0.000 2.302 736 V HA -0.108 4.012 4.120 0.000 0.000 0.243 736 V C 0.959 177.117 176.094 0.107 0.000 1.036 736 V CA 1.285 63.632 62.300 0.078 0.000 1.020 736 V CB -0.208 31.645 31.823 0.050 0.000 0.657 736 V HN 0.218 nan 8.190 nan 0.000 0.453 737 N N 0.289 119.026 118.700 0.062 0.000 2.573 737 N HA 0.278 5.019 4.740 0.000 0.000 0.262 737 N C -2.072 173.473 175.510 0.059 0.000 1.029 737 N CA -2.193 50.908 53.050 0.085 0.000 0.882 737 N CB 1.918 40.402 38.487 -0.005 0.000 1.204 737 N HN -0.050 nan 8.380 nan 0.000 0.519 738 P HA -0.126 nan 4.420 nan 0.000 0.224 738 P C 1.169 178.501 177.300 0.054 0.000 1.142 738 P CA 0.850 63.988 63.100 0.063 0.000 0.778 738 P CB 0.527 32.270 31.700 0.072 0.000 0.764 739 L N -1.279 119.979 121.223 0.058 0.000 2.418 739 L HA 0.075 4.415 4.340 0.000 0.000 0.218 739 L C 2.321 179.198 176.870 0.011 0.000 1.125 739 L CA 0.621 55.487 54.840 0.043 0.000 0.835 739 L CB -0.497 41.599 42.059 0.060 0.000 0.953 739 L HN -0.064 nan 8.230 nan 0.000 0.454 740 A N -1.839 120.977 122.820 -0.008 0.000 2.167 740 A HA -0.162 4.158 4.320 0.000 0.000 0.214 740 A C 2.160 179.742 177.584 -0.004 0.000 1.151 740 A CA 0.816 52.838 52.037 -0.024 0.000 0.735 740 A CB -0.720 18.251 19.000 -0.048 0.000 0.802 740 A HN 0.500 nan 8.150 nan 0.000 0.467 741 c N -1.439 117.167 118.600 0.011 0.000 2.673 741 c HA 0.256 4.826 4.570 0.000 0.000 0.264 741 c C 2.247 176.352 174.090 0.025 0.000 1.304 741 c CA 0.295 56.635 56.329 0.018 0.000 1.727 741 c CB -1.257 41.267 42.510 0.024 0.000 1.932 741 c HN 0.619 nan 8.230 nan 0.000 0.563 742 L N 2.581 123.820 121.223 0.027 0.000 2.027 742 L HA 0.092 4.432 4.340 0.000 0.000 0.206 742 L C -1.091 175.804 176.870 0.042 0.000 1.074 742 L CA 2.064 56.925 54.840 0.035 0.000 0.745 742 L CB -1.234 40.845 42.059 0.033 0.000 0.898 742 L HN 0.142 nan 8.230 nan 0.000 0.433 743 P HA -0.049 nan 4.420 nan 0.000 0.235 743 P C -0.405 176.914 177.300 0.031 0.000 1.720 743 P CA 0.591 63.711 63.100 0.033 0.000 1.003 743 P CB -0.389 31.322 31.700 0.019 0.000 1.968 744 Q N -0.436 119.389 119.800 0.042 0.000 5.809 744 Q HA -0.024 4.316 4.340 0.000 0.000 0.288 744 Q C 1.016 177.045 176.000 0.048 0.000 0.852 744 Q CA 0.109 55.935 55.803 0.038 0.000 0.694 744 Q CB -1.255 27.498 28.738 0.026 0.000 0.763 744 Q HN 0.083 nan 8.270 nan 0.000 0.678 745 A N 1.085 123.934 122.820 0.048 0.000 2.235 745 A HA 0.610 4.930 4.320 0.000 0.000 0.208 745 A C 1.428 179.056 177.584 0.074 0.000 1.172 745 A CA 1.071 53.139 52.037 0.053 0.000 0.786 745 A CB -0.137 18.888 19.000 0.042 0.000 0.804 745 A HN 0.676 nan 8.150 nan 0.000 0.479 746 A N -1.056 121.819 122.820 0.091 0.000 2.643 746 A HA 0.636 4.956 4.320 0.000 0.000 0.295 746 A C 0.762 178.454 177.584 0.181 0.000 1.065 746 A CA 0.502 52.630 52.037 0.153 0.000 0.986 746 A CB -0.265 18.810 19.000 0.124 0.000 1.212 746 A HN 0.861 nan 8.150 nan 0.000 0.516 747 A N 0.436 123.325 122.820 0.115 0.000 3.264 747 A HA 0.518 4.838 4.320 0.000 0.000 0.299 747 A C 0.429 178.050 177.584 0.062 0.000 1.272 747 A CA 0.110 52.195 52.037 0.080 0.000 1.030 747 A CB -1.423 17.608 19.000 0.050 0.000 1.102 747 A HN 1.079 nan 8.150 nan 0.000 0.615 748 c N -1.463 117.186 118.600 0.082 0.000 2.719 748 c HA 0.910 5.481 4.570 0.000 0.000 0.327 748 c C 0.579 174.652 174.090 -0.030 0.000 1.238 748 c CA -0.661 55.695 56.329 0.045 0.000 1.727 748 c CB 0.995 43.555 42.510 0.083 0.000 2.256 748 c HN 0.908 nan 8.230 nan 0.000 0.489 749 A N 3.083 125.876 122.820 -0.045 0.000 2.347 749 A HA 0.629 4.949 4.320 0.000 0.000 0.287 749 A C -1.833 175.687 177.584 -0.108 0.000 1.199 749 A CA -0.717 51.259 52.037 -0.101 0.000 0.851 749 A CB -0.600 18.361 19.000 -0.064 0.000 1.118 749 A HN 0.842 nan 8.150 nan 0.000 0.525 750 P HA 0.067 nan 4.420 nan 0.000 0.268 750 P C -0.813 176.450 177.300 -0.061 0.000 1.204 750 P CA -0.071 62.928 63.100 -0.169 0.000 0.768 750 P CB 0.762 32.206 31.700 -0.426 0.000 0.842 751 D N 3.417 123.834 120.400 0.027 0.000 2.380 751 D HA 0.231 4.871 4.640 0.000 0.000 0.230 751 D C -0.510 175.841 176.300 0.084 0.000 1.154 751 D CA -0.230 53.799 54.000 0.048 0.000 0.859 751 D CB 0.376 41.217 40.800 0.067 0.000 1.045 751 D HN 0.275 nan 8.370 nan 0.000 0.495 752 L N 5.616 126.881 121.223 0.069 0.000 2.280 752 L HA 0.356 4.696 4.340 0.000 0.000 0.287 752 L C -1.902 175.094 176.870 0.210 0.000 1.023 752 L CA -1.679 53.249 54.840 0.148 0.000 0.819 752 L CB 1.342 43.391 42.059 -0.016 0.000 1.212 752 L HN 0.191 nan 8.230 nan 0.000 0.420 753 P HA 0.139 nan 4.420 nan 0.000 0.268 753 P C -0.296 177.157 177.300 0.256 0.000 1.205 753 P CA -0.354 62.865 63.100 0.198 0.000 0.771 753 P CB 0.657 32.439 31.700 0.137 0.000 0.858 754 A N 3.075 125.996 122.820 0.169 0.000 2.520 754 A HA 0.103 4.423 4.320 0.000 0.000 0.235 754 A C 0.051 177.761 177.584 0.210 0.000 1.065 754 A CA -0.211 51.941 52.037 0.191 0.000 0.764 754 A CB -0.550 18.523 19.000 0.121 0.000 1.002 754 A HN 0.541 nan 8.150 nan 0.000 0.502 755 F N 2.476 122.514 119.950 0.146 0.000 2.572 755 F HA 0.366 4.894 4.527 0.000 0.000 0.370 755 F C 0.855 176.672 175.800 0.028 0.000 1.103 755 F CA 1.490 59.547 58.000 0.095 0.000 1.286 755 F CB 0.565 39.641 39.000 0.126 0.000 1.105 755 F HN 0.586 nan 8.300 nan 0.000 0.583 756 S N 5.869 121.030 115.700 -0.899 0.000 2.540 756 S HA 0.363 4.833 4.470 0.000 0.000 0.275 756 S C -1.690 172.416 174.600 -0.822 0.000 1.123 756 S CA -0.711 57.129 58.200 -0.601 0.000 0.907 756 S CB 1.036 64.029 63.200 -0.344 0.000 1.081 756 S HN 0.881 nan 8.310 nan 0.000 0.476 757 H N 2.048 120.819 119.070 -0.499 0.000 2.637 757 H HA 0.416 4.972 4.556 0.000 0.000 0.363 757 H C 1.172 176.351 175.328 -0.249 0.000 1.131 757 H CA -0.039 55.789 56.048 -0.367 0.000 1.183 757 H CB 1.920 31.600 29.762 -0.136 0.000 1.637 757 H HN 0.872 nan 8.280 nan 0.000 0.531 758 G N 2.128 110.371 108.800 -0.929 0.000 2.509 758 G HA2 0.223 4.183 3.960 0.000 0.000 0.218 758 G HA3 0.223 4.183 3.960 0.000 0.000 0.218 758 G C 0.705 175.337 174.900 -0.446 0.000 1.124 758 G CA 0.680 45.424 45.100 -0.593 0.000 0.776 758 G HN 1.043 nan 8.290 nan 0.000 0.547 759 G N -1.387 107.105 108.800 -0.513 0.000 2.660 759 G HA2 0.059 4.019 3.960 0.000 0.000 0.247 759 G HA3 0.059 4.019 3.960 0.000 0.000 0.247 759 G C -0.727 173.865 174.900 -0.514 0.000 1.328 759 G CA -0.583 44.362 45.100 -0.257 0.000 0.884 759 G HN 0.529 nan 8.290 nan 0.000 0.531 760 F N 0.489 120.495 119.950 0.093 0.000 2.547 760 F HA 0.614 5.141 4.527 0.000 0.000 0.316 760 F C 0.701 176.532 175.800 0.050 0.000 1.121 760 F CA -0.195 57.855 58.000 0.082 0.000 0.911 760 F CB 2.577 41.629 39.000 0.088 0.000 1.179 760 F HN 0.742 nan 8.300 nan 0.000 0.443 761 S N 1.181 116.996 115.700 0.192 0.000 2.409 761 S HA 0.815 5.285 4.470 0.000 0.000 0.308 761 S C -0.409 174.236 174.600 0.076 0.000 1.080 761 S CA 0.299 58.566 58.200 0.111 0.000 1.081 761 S CB -0.391 62.858 63.200 0.082 0.000 1.009 761 S HN 1.264 nan 8.310 nan 0.000 0.502 762 H N 0.000 119.106 119.070 0.060 0.000 2.539 762 H HA 0.000 4.556 4.556 0.000 0.000 0.296 762 H CA 0.000 nan 56.048 nan 0.000 1.023 762 H CB 0.000 nan 29.762 nan 0.000 1.292 762 H HN 0.000 nan 8.280 nan 0.000 0.496