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 2cvu_1_A DATA FIRST_RESID 89 DATA SEQUENCE QTTKQFSKVV EDLYRYVNAA TGKPAPMISD DVYNIVMENK DKLNSAIVYD DATA SEQUENCE RDFQYSYFGF KTLERSYLLR INGQVAERPQ HLIMRVALGI HGRDIEAALE DATA SEQUENCE TYNLMSLKYF THASPTLFNA GTPKPQMSSC FLVAMKEDSI EGIYDTLKEC DATA SEQUENCE ALISKTAGGI GLHIHNIRST GSYIAGTNGT SNGLIPMIRV FNNTARYVDQ DATA SEQUENCE GGNKRPGAFA LYLEPWHADI FDFIDIRKNH GKEEIRARDL FPALWIPDLF DATA SEQUENCE MKRVEENGTW TLFSPTSAPG LSDCYGDEFE ALYTRYEKEG RGKTIKAQKL DATA SEQUENCE WYSILEAQTE TGTPFVVYKD ACNRKSNQKN LGVIKSSNLC CEIVEYSAPD DATA SEQUENCE ETAVCNLASV ALPAFIETSE DGKTSTYNFK KLHEIAKVVT RNLNRVIDRN DATA SEQUENCE YYPVEEARKS NMRHRPIALG VQGLADTFML LRLPFDSEEA RLLNIQIFET DATA SEQUENCE IYHASMEASC ELAQKDGPYE TFQGSPASQG ILQFDMWDQK PYGMWDWDTL DATA SEQUENCE RKDIMKHGVR NSLTMAPMPT ASTSQILGYN ECFEPVTSNM YSXXXXXXXF DATA SEQUENCE QVVNPYLLRD LVDLGIWDEG MKQYLITQNG SIQGLPNVPQ ELKDLYKTVW DATA SEQUENCE EISQKTIINM AADRSVYIDQ SHSLNLFLRA PTMGKLTSMH FYGWKKGLKT DATA SEQUENCE GMYYLRTQ 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 89 Q HA 0.000 nan 4.340 nan 0.000 0.214 89 Q C 0.000 176.025 176.000 0.042 0.000 1.003 89 Q CA 0.000 55.826 55.803 0.038 0.000 1.022 89 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 90 T N 0.105 114.684 114.554 0.042 0.000 2.982 90 T HA 0.232 4.584 4.350 0.003 0.000 0.321 90 T C -0.263 174.458 174.700 0.035 0.000 1.229 90 T CA -0.349 61.782 62.100 0.051 0.000 1.044 90 T CB 2.101 71.030 68.868 0.102 0.000 1.184 90 T HN -0.113 nan 8.240 nan 0.000 0.477 91 T N 2.678 117.242 114.554 0.016 0.000 2.891 91 T HA 0.009 4.361 4.350 0.003 0.000 0.296 91 T C 1.401 176.114 174.700 0.023 0.000 1.025 91 T CA 0.508 62.607 62.100 -0.000 0.000 1.149 91 T CB 0.547 69.398 68.868 -0.028 0.000 1.007 91 T HN 0.560 nan 8.240 nan 0.000 0.528 92 K N 2.301 122.700 120.400 -0.002 0.000 2.044 92 K HA 0.049 4.371 4.320 0.003 0.000 0.204 92 K C 1.181 177.840 176.600 0.099 0.000 1.045 92 K CA 0.546 56.804 56.287 -0.047 0.000 0.951 92 K CB 0.126 32.532 32.500 -0.157 0.000 0.738 92 K HN 0.608 nan 8.250 nan 0.000 0.443 93 Q N 0.183 120.037 119.800 0.091 0.000 2.337 93 Q HA -0.074 4.268 4.340 0.003 0.000 0.270 93 Q C 0.460 176.590 176.000 0.217 0.000 1.002 93 Q CA -0.144 55.763 55.803 0.173 0.000 0.888 93 Q CB 0.533 29.327 28.738 0.094 0.000 1.222 93 Q HN 0.295 nan 8.270 nan 0.000 0.400 94 F N 2.685 122.751 119.950 0.192 0.000 2.187 94 F HA -0.116 4.413 4.527 0.003 0.000 0.295 94 F C 2.066 177.889 175.800 0.038 0.000 1.091 94 F CA 1.698 59.800 58.000 0.171 0.000 1.308 94 F CB -0.182 38.985 39.000 0.278 0.000 1.030 94 F HN 0.687 nan 8.300 nan 0.000 0.487 95 S N -0.267 115.409 115.700 -0.039 0.000 2.402 95 S HA -0.204 4.268 4.470 0.003 0.000 0.229 95 S C 2.038 176.547 174.600 -0.151 0.000 1.021 95 S CA 1.181 59.274 58.200 -0.179 0.000 0.974 95 S CB -0.641 62.532 63.200 -0.045 0.000 0.800 95 S HN 0.445 nan 8.310 nan 0.000 0.484 96 K N 0.799 121.153 120.400 -0.077 0.000 2.097 96 K HA 0.044 4.366 4.320 0.003 0.000 0.206 96 K C 1.892 178.428 176.600 -0.106 0.000 1.049 96 K CA 1.170 57.423 56.287 -0.057 0.000 0.933 96 K CB -0.287 32.202 32.500 -0.018 0.000 0.717 96 K HN 0.275 nan 8.250 nan 0.000 0.442 97 V N 0.059 119.849 119.914 -0.207 0.000 2.379 97 V HA -0.177 3.945 4.120 0.003 0.000 0.245 97 V C 2.001 177.947 176.094 -0.248 0.000 1.044 97 V CA 1.272 63.409 62.300 -0.272 0.000 1.036 97 V CB 0.043 31.559 31.823 -0.511 0.000 0.664 97 V HN 0.106 nan 8.190 nan 0.000 0.453 98 V N 0.157 119.853 119.914 -0.364 0.000 2.720 98 V HA -0.221 3.901 4.120 0.003 0.000 0.256 98 V C 2.461 178.563 176.094 0.014 0.000 1.082 98 V CA 2.026 64.184 62.300 -0.236 0.000 1.101 98 V CB -0.496 31.089 31.823 -0.395 0.000 0.693 98 V HN 0.603 nan 8.190 nan 0.000 0.479 99 E N 0.654 120.866 120.200 0.021 0.000 2.046 99 E HA -0.172 4.180 4.350 0.003 0.000 0.190 99 E C 1.825 178.490 176.600 0.108 0.000 0.982 99 E CA 1.489 57.973 56.400 0.141 0.000 0.800 99 E CB -0.245 29.512 29.700 0.094 0.000 0.756 99 E HN 0.588 nan 8.360 nan 0.000 0.449 100 D N 0.477 120.902 120.400 0.042 0.000 2.087 100 D HA -0.183 4.459 4.640 0.003 0.000 0.192 100 D C 2.180 178.522 176.300 0.070 0.000 0.993 100 D CA 1.220 55.248 54.000 0.047 0.000 0.828 100 D CB -0.520 40.288 40.800 0.014 0.000 0.968 100 D HN 0.234 nan 8.370 nan 0.000 0.448 101 L N -0.210 121.030 121.223 0.029 0.000 2.021 101 L HA -0.259 4.083 4.340 0.003 0.000 0.215 101 L C 2.607 179.520 176.870 0.073 0.000 1.074 101 L CA 1.419 56.269 54.840 0.016 0.000 0.760 101 L CB -0.575 41.474 42.059 -0.017 0.000 0.889 101 L HN 0.098 nan 8.230 nan 0.000 0.433 102 Y N 0.471 120.736 120.300 -0.058 0.000 2.293 102 Y HA -0.122 4.430 4.550 0.003 0.000 0.291 102 Y C 2.479 178.293 175.900 -0.143 0.000 1.137 102 Y CA 1.254 59.269 58.100 -0.142 0.000 1.202 102 Y CB 0.055 38.334 38.460 -0.303 0.000 0.990 102 Y HN -0.016 nan 8.280 nan 0.000 0.537 103 R N -0.569 119.902 120.500 -0.048 0.000 2.310 103 R HA -0.037 4.305 4.340 0.003 0.000 0.202 103 R C -0.289 175.963 176.300 -0.079 0.000 0.933 103 R CA -0.173 55.862 56.100 -0.109 0.000 1.054 103 R CB -1.250 29.043 30.300 -0.013 0.000 0.985 103 R HN 0.339 nan 8.270 nan 0.000 0.489 104 Y N 0.935 121.154 120.300 -0.135 0.000 2.805 104 Y HA -0.029 4.523 4.550 0.003 0.000 0.337 104 Y C -0.101 175.729 175.900 -0.116 0.000 1.252 104 Y CA 0.350 58.387 58.100 -0.105 0.000 1.515 104 Y CB 0.567 38.974 38.460 -0.088 0.000 1.305 104 Y HN -0.301 nan 8.280 nan 0.000 0.600 105 V N 6.750 126.119 119.914 -0.908 0.000 2.789 105 V HA 0.169 4.291 4.120 0.003 0.000 0.311 105 V C -0.491 175.036 176.094 -0.945 0.000 1.073 105 V CA -1.507 60.398 62.300 -0.659 0.000 0.921 105 V CB 1.969 33.571 31.823 -0.369 0.000 1.009 105 V HN 0.832 nan 8.190 nan 0.000 0.426 106 N N 2.754 121.162 118.700 -0.487 0.000 2.448 106 N HA 0.176 4.918 4.740 0.003 0.000 0.250 106 N C 1.083 176.478 175.510 -0.191 0.000 1.136 106 N CA 0.422 53.313 53.050 -0.264 0.000 0.953 106 N CB 1.718 40.160 38.487 -0.077 0.000 1.251 106 N HN 0.867 nan 8.380 nan 0.000 0.502 107 A N 3.897 126.608 122.820 -0.182 0.000 1.948 107 A HA -0.172 4.150 4.320 0.003 0.000 0.220 107 A C 2.020 179.557 177.584 -0.078 0.000 1.177 107 A CA 1.857 53.820 52.037 -0.122 0.000 0.636 107 A CB -0.493 18.453 19.000 -0.090 0.000 0.815 107 A HN 0.736 nan 8.150 nan 0.000 0.449 108 A N -2.278 120.509 122.820 -0.056 0.000 2.248 108 A HA 0.125 4.447 4.320 0.003 0.000 0.210 108 A C 1.814 179.374 177.584 -0.041 0.000 1.174 108 A CA 2.062 54.076 52.037 -0.038 0.000 0.750 108 A CB -0.486 18.501 19.000 -0.022 0.000 0.780 108 A HN 0.543 nan 8.150 nan 0.000 0.478 109 T N -4.009 110.512 114.554 -0.054 0.000 3.147 109 T HA 0.358 4.710 4.350 0.003 0.000 0.275 109 T C 1.144 175.808 174.700 -0.060 0.000 0.879 109 T CA 1.166 63.236 62.100 -0.049 0.000 0.863 109 T CB -0.299 68.543 68.868 -0.043 0.000 1.236 109 T HN 1.547 nan 8.240 nan 0.000 0.582 110 G N 2.435 111.188 108.800 -0.079 0.000 2.166 110 G HA2 -0.253 3.709 3.960 0.003 0.000 0.260 110 G HA3 -0.253 3.709 3.960 0.003 0.000 0.260 110 G C -0.101 174.743 174.900 -0.094 0.000 0.986 110 G CA 0.675 45.723 45.100 -0.087 0.000 0.683 110 G HN 0.590 nan 8.290 nan 0.000 0.527 111 K N 1.096 121.439 120.400 -0.095 0.000 2.258 111 K HA 0.419 4.741 4.320 0.003 0.000 0.284 111 K C -2.559 173.969 176.600 -0.120 0.000 1.051 111 K CA -1.824 54.409 56.287 -0.090 0.000 0.923 111 K CB 1.311 33.772 32.500 -0.066 0.000 1.046 111 K HN 0.019 nan 8.250 nan 0.000 0.474 112 P HA 0.035 nan 4.420 nan 0.000 0.276 112 P C -1.156 176.076 177.300 -0.114 0.000 1.253 112 P CA -0.163 62.850 63.100 -0.144 0.000 0.766 112 P CB 0.894 32.507 31.700 -0.145 0.000 0.845 113 A N 5.695 128.468 122.820 -0.079 0.000 2.978 113 A HA 0.469 4.791 4.320 0.003 0.000 0.341 113 A C -2.504 175.109 177.584 0.049 0.000 1.105 113 A CA -1.484 50.560 52.037 0.012 0.000 0.819 113 A CB 0.304 19.372 19.000 0.114 0.000 1.080 113 A HN 0.288 nan 8.150 nan 0.000 0.476 114 P HA 0.232 nan 4.420 nan 0.000 0.276 114 P C 0.266 177.524 177.300 -0.071 0.000 1.230 114 P CA -0.062 62.946 63.100 -0.152 0.000 0.776 114 P CB 0.974 32.434 31.700 -0.401 0.000 0.888 115 M N 1.736 121.315 119.600 -0.034 0.000 2.333 115 M HA 0.216 4.698 4.480 0.003 0.000 0.257 115 M C 0.293 176.612 176.300 0.032 0.000 1.078 115 M CA 0.264 55.549 55.300 -0.026 0.000 1.005 115 M CB 0.302 32.857 32.600 -0.075 0.000 1.444 115 M HN 0.159 nan 8.290 nan 0.000 0.496 116 I N 0.811 121.448 120.570 0.111 0.000 2.460 116 I HA 0.287 4.459 4.170 0.003 0.000 0.298 116 I C 0.694 176.946 176.117 0.226 0.000 0.989 116 I CA -0.677 60.731 61.300 0.179 0.000 1.173 116 I CB 1.649 39.789 38.000 0.233 0.000 1.338 116 I HN 0.142 nan 8.210 nan 0.000 0.456 117 S N 3.438 119.234 115.700 0.160 0.000 2.584 117 S HA 0.118 4.590 4.470 0.003 0.000 0.270 117 S C 0.716 175.453 174.600 0.229 0.000 1.346 117 S CA -0.477 57.814 58.200 0.153 0.000 1.018 117 S CB 1.205 64.462 63.200 0.094 0.000 0.899 117 S HN 0.537 nan 8.310 nan 0.000 0.542 118 D N 1.216 121.750 120.400 0.224 0.000 2.087 118 D HA -0.136 4.506 4.640 0.003 0.000 0.192 118 D C 1.467 177.861 176.300 0.156 0.000 0.993 118 D CA 1.779 55.923 54.000 0.240 0.000 0.828 118 D CB -0.735 40.171 40.800 0.177 0.000 0.968 118 D HN 0.803 nan 8.370 nan 0.000 0.448 119 D N -0.007 120.460 120.400 0.112 0.000 2.355 119 D HA -0.193 4.449 4.640 0.003 0.000 0.192 119 D C 2.051 178.388 176.300 0.062 0.000 1.014 119 D CA 1.730 55.776 54.000 0.077 0.000 0.862 119 D CB -0.262 40.581 40.800 0.072 0.000 0.986 119 D HN 0.010 nan 8.370 nan 0.000 0.456 120 V N -0.455 119.506 119.914 0.078 0.000 2.358 120 V HA -0.230 3.892 4.120 0.003 0.000 0.246 120 V C 2.060 178.170 176.094 0.027 0.000 1.047 120 V CA 1.882 64.221 62.300 0.066 0.000 1.035 120 V CB -0.836 31.041 31.823 0.090 0.000 0.658 120 V HN 0.330 nan 8.190 nan 0.000 0.452 121 Y N 2.264 122.483 120.300 -0.135 0.000 2.053 121 Y HA -0.317 4.235 4.550 0.003 0.000 0.277 121 Y C 2.558 178.308 175.900 -0.250 0.000 1.159 121 Y CA 2.223 60.124 58.100 -0.332 0.000 1.125 121 Y CB -0.591 37.366 38.460 -0.839 0.000 0.969 121 Y HN 0.295 nan 8.280 nan 0.000 0.492 122 N N 0.592 119.156 118.700 -0.227 0.000 2.061 122 N HA -0.231 4.511 4.740 0.003 0.000 0.193 122 N C 2.002 177.396 175.510 -0.194 0.000 1.030 122 N CA 2.124 55.036 53.050 -0.230 0.000 0.856 122 N CB -0.682 37.774 38.487 -0.051 0.000 1.023 122 N HN 0.488 nan 8.380 nan 0.000 0.424 123 I N 0.629 121.138 120.570 -0.103 0.000 2.118 123 I HA -0.261 3.911 4.170 0.003 0.000 0.241 123 I C 2.160 178.226 176.117 -0.085 0.000 1.070 123 I CA 0.915 62.178 61.300 -0.061 0.000 1.327 123 I CB -0.394 37.604 38.000 -0.003 0.000 1.034 123 I HN -0.079 nan 8.210 nan 0.000 0.405 124 V N 0.174 120.021 119.914 -0.112 0.000 2.332 124 V HA -0.318 3.804 4.120 0.003 0.000 0.248 124 V C 2.512 178.500 176.094 -0.177 0.000 1.055 124 V CA 1.630 63.876 62.300 -0.089 0.000 1.038 124 V CB -0.577 31.185 31.823 -0.102 0.000 0.651 124 V HN 0.378 nan 8.190 nan 0.000 0.450 125 M N -0.308 119.081 119.600 -0.351 0.000 2.132 125 M HA -0.125 4.357 4.480 0.003 0.000 0.263 125 M C 2.067 178.258 176.300 -0.181 0.000 1.065 125 M CA 1.496 56.593 55.300 -0.339 0.000 1.122 125 M CB -1.237 31.040 32.600 -0.538 0.000 1.365 125 M HN 0.425 nan 8.290 nan 0.000 0.411 126 E N -0.168 119.942 120.200 -0.149 0.000 2.482 126 E HA -0.079 4.273 4.350 0.003 0.000 0.196 126 E C -0.066 176.500 176.600 -0.057 0.000 1.047 126 E CA 0.374 56.722 56.400 -0.086 0.000 0.869 126 E CB -0.079 29.580 29.700 -0.069 0.000 0.836 126 E HN 0.539 nan 8.360 nan 0.000 0.520 127 N N -0.205 118.463 118.700 -0.053 0.000 2.536 127 N HA 0.012 4.754 4.740 0.003 0.000 0.286 127 N C 0.331 175.832 175.510 -0.016 0.000 1.577 127 N CA -0.101 52.932 53.050 -0.030 0.000 0.883 127 N CB 0.646 39.120 38.487 -0.022 0.000 1.390 127 N HN 0.051 nan 8.380 nan 0.000 0.491 128 K N -0.561 119.826 120.400 -0.022 0.000 2.148 128 K HA -0.028 4.294 4.320 0.003 0.000 0.204 128 K C 0.373 176.986 176.600 0.022 0.000 1.050 128 K CA 1.128 57.418 56.287 0.006 0.000 0.942 128 K CB 0.210 32.700 32.500 -0.018 0.000 0.724 128 K HN 0.037 nan 8.250 nan 0.000 0.446 129 D N 1.588 121.991 120.400 0.004 0.000 2.110 129 D HA -0.101 4.541 4.640 0.003 0.000 0.202 129 D C 1.836 178.132 176.300 -0.006 0.000 0.975 129 D CA 1.030 55.033 54.000 0.005 0.000 0.839 129 D CB -0.022 40.777 40.800 -0.000 0.000 0.996 129 D HN 0.237 nan 8.370 nan 0.000 0.464 130 K N 0.297 120.686 120.400 -0.018 0.000 2.020 130 K HA -0.179 4.143 4.320 0.003 0.000 0.212 130 K C 2.057 178.619 176.600 -0.063 0.000 1.050 130 K CA 1.003 57.269 56.287 -0.036 0.000 0.929 130 K CB -0.058 32.421 32.500 -0.035 0.000 0.714 130 K HN -0.052 nan 8.250 nan 0.000 0.443 131 L N 1.650 122.841 121.223 -0.054 0.000 2.093 131 L HA -0.142 4.200 4.340 0.003 0.000 0.208 131 L C 1.913 178.710 176.870 -0.121 0.000 1.085 131 L CA 1.574 56.349 54.840 -0.107 0.000 0.755 131 L CB -1.110 40.942 42.059 -0.011 0.000 0.904 131 L HN 0.285 nan 8.230 nan 0.000 0.435 132 N N -0.651 118.053 118.700 0.008 0.000 2.244 132 N HA -0.109 4.633 4.740 0.003 0.000 0.183 132 N C 1.804 177.327 175.510 0.021 0.000 1.016 132 N CA 1.510 54.600 53.050 0.068 0.000 0.866 132 N CB 0.060 38.622 38.487 0.126 0.000 0.980 132 N HN 0.437 nan 8.380 nan 0.000 0.430 133 S N -0.524 115.166 115.700 -0.016 0.000 2.548 133 S HA 0.297 4.769 4.470 0.003 0.000 0.215 133 S C 1.824 176.387 174.600 -0.062 0.000 0.976 133 S CA 0.198 58.392 58.200 -0.010 0.000 0.908 133 S CB 0.390 63.589 63.200 -0.001 0.000 0.781 133 S HN 0.251 nan 8.310 nan 0.000 0.519 134 A N 1.512 124.244 122.820 -0.146 0.000 2.016 134 A HA 0.369 4.691 4.320 0.003 0.000 0.217 134 A C 0.902 178.295 177.584 -0.319 0.000 1.162 134 A CA 0.171 52.079 52.037 -0.215 0.000 0.662 134 A CB -0.541 18.285 19.000 -0.290 0.000 0.812 134 A HN 0.577 nan 8.150 nan 0.000 0.450 135 I N 0.779 121.103 120.570 -0.411 0.000 2.588 135 I HA 0.147 4.319 4.170 0.003 0.000 0.283 135 I C -0.751 175.221 176.117 -0.242 0.000 1.119 135 I CA -0.011 60.993 61.300 -0.493 0.000 1.419 135 I CB 1.463 39.069 38.000 -0.658 0.000 1.394 135 I HN -0.098 nan 8.210 nan 0.000 0.562 136 V N 7.335 127.164 119.914 -0.142 0.000 2.349 136 V HA 0.135 4.257 4.120 0.003 0.000 0.284 136 V C -0.169 175.849 176.094 -0.127 0.000 1.014 136 V CA -0.434 61.836 62.300 -0.051 0.000 0.826 136 V CB 0.751 32.592 31.823 0.029 0.000 1.009 136 V HN 0.591 nan 8.190 nan 0.000 0.431 137 Y N 0.526 120.843 120.300 0.029 0.000 2.561 137 Y HA -0.047 4.505 4.550 0.003 0.000 0.291 137 Y C 1.967 177.856 175.900 -0.020 0.000 1.141 137 Y CA 0.463 58.550 58.100 -0.022 0.000 1.303 137 Y CB -0.105 38.339 38.460 -0.026 0.000 1.015 137 Y HN 0.551 nan 8.280 nan 0.000 0.547 138 D N 0.355 120.881 120.400 0.211 0.000 2.182 138 D HA -0.158 4.484 4.640 0.003 0.000 0.201 138 D C 1.835 178.242 176.300 0.178 0.000 0.986 138 D CA 1.167 55.358 54.000 0.320 0.000 0.847 138 D CB -0.151 40.769 40.800 0.200 0.000 0.942 138 D HN 0.347 nan 8.370 nan 0.000 0.467 139 R N 0.390 120.890 120.500 0.000 0.000 2.285 139 R HA -0.055 4.287 4.340 0.003 0.000 0.213 139 R C 1.224 177.443 176.300 -0.135 0.000 1.068 139 R CA 0.567 56.608 56.100 -0.098 0.000 1.004 139 R CB 0.042 30.249 30.300 -0.154 0.000 0.873 139 R HN 0.110 nan 8.270 nan 0.000 0.467 140 D N 0.311 120.605 120.400 -0.177 0.000 2.265 140 D HA -0.145 4.497 4.640 0.003 0.000 0.208 140 D C 0.549 176.672 176.300 -0.295 0.000 0.977 140 D CA 1.131 55.010 54.000 -0.202 0.000 0.871 140 D CB -0.047 40.497 40.800 -0.427 0.000 0.925 140 D HN 0.213 nan 8.370 nan 0.000 0.485 141 F N 0.532 120.474 119.950 -0.014 0.000 2.676 141 F HA 0.182 4.711 4.527 0.003 0.000 0.300 141 F C 1.919 177.626 175.800 -0.155 0.000 1.160 141 F CA -0.021 57.934 58.000 -0.074 0.000 1.401 141 F CB -0.016 38.941 39.000 -0.072 0.000 1.037 141 F HN -0.165 nan 8.300 nan 0.000 0.522 142 Q N -0.729 118.956 119.800 -0.192 0.000 2.392 142 Q HA 0.071 4.413 4.340 0.003 0.000 0.203 142 Q C -0.500 175.187 176.000 -0.522 0.000 0.917 142 Q CA 0.346 55.904 55.803 -0.408 0.000 0.939 142 Q CB 0.263 28.622 28.738 -0.633 0.000 1.063 142 Q HN 0.425 nan 8.270 nan 0.000 0.516 143 Y N 1.222 121.451 120.300 -0.118 0.000 2.335 143 Y HA 0.127 4.679 4.550 0.003 0.000 0.339 143 Y C 0.915 176.714 175.900 -0.169 0.000 0.987 143 Y CA -0.883 57.136 58.100 -0.135 0.000 1.140 143 Y CB 1.035 39.458 38.460 -0.062 0.000 1.173 143 Y HN -0.062 nan 8.280 nan 0.000 0.486 144 S N 2.351 117.981 115.700 -0.117 0.000 2.553 144 S HA -0.200 4.272 4.470 0.003 0.000 0.271 144 S C 1.063 175.405 174.600 -0.429 0.000 1.362 144 S CA -0.208 57.781 58.200 -0.352 0.000 1.010 144 S CB 0.300 63.221 63.200 -0.465 0.000 0.865 144 S HN 0.766 nan 8.310 nan 0.000 0.543 145 Y N 2.327 122.104 120.300 -0.872 0.000 2.097 145 Y HA -0.164 4.388 4.550 0.003 0.000 0.282 145 Y C 1.704 177.411 175.900 -0.321 0.000 1.152 145 Y CA 2.277 60.052 58.100 -0.541 0.000 1.136 145 Y CB -0.673 37.541 38.460 -0.410 0.000 0.975 145 Y HN 0.733 nan 8.280 nan 0.000 0.498 146 F N -0.975 119.086 119.950 0.185 0.000 2.502 146 F HA 0.182 4.711 4.527 0.003 0.000 0.298 146 F C 2.361 178.159 175.800 -0.003 0.000 1.111 146 F CA 0.586 58.644 58.000 0.095 0.000 1.445 146 F CB -1.416 37.669 39.000 0.140 0.000 1.081 146 F HN 0.024 nan 8.300 nan 0.000 0.558 147 G N 0.155 108.934 108.800 -0.034 0.000 2.396 147 G HA2 -0.200 3.762 3.960 0.003 0.000 0.214 147 G HA3 -0.200 3.762 3.960 0.003 0.000 0.214 147 G C 1.531 176.376 174.900 -0.091 0.000 1.166 147 G CA 0.482 45.567 45.100 -0.026 0.000 0.793 147 G HN 0.385 nan 8.290 nan 0.000 0.533 148 F N 1.844 121.647 119.950 -0.245 0.000 2.134 148 F HA 0.053 4.582 4.527 0.003 0.000 0.299 148 F C 2.371 178.004 175.800 -0.278 0.000 1.097 148 F CA 1.389 59.206 58.000 -0.305 0.000 1.264 148 F CB 0.209 39.041 39.000 -0.279 0.000 1.001 148 F HN -0.086 nan 8.300 nan 0.000 0.479 149 K N 0.153 120.399 120.400 -0.258 0.000 2.442 149 K HA -0.033 4.289 4.320 0.003 0.000 0.198 149 K C 1.827 178.301 176.600 -0.210 0.000 1.042 149 K CA 1.318 57.434 56.287 -0.284 0.000 0.958 149 K CB -0.899 31.468 32.500 -0.222 0.000 0.766 149 K HN 0.351 nan 8.250 nan 0.000 0.474 150 T N 1.821 116.274 114.554 -0.169 0.000 2.812 150 T HA 0.011 4.363 4.350 0.003 0.000 0.264 150 T C 2.060 176.724 174.700 -0.059 0.000 1.042 150 T CA 0.560 62.621 62.100 -0.065 0.000 1.140 150 T CB -0.091 68.743 68.868 -0.057 0.000 0.870 150 T HN 0.081 nan 8.240 nan 0.000 0.445 151 L N 0.766 121.807 121.223 -0.304 0.000 2.046 151 L HA -0.090 4.252 4.340 0.003 0.000 0.208 151 L C 2.903 179.608 176.870 -0.274 0.000 1.077 151 L CA 1.509 56.149 54.840 -0.333 0.000 0.747 151 L CB -0.394 41.302 42.059 -0.604 0.000 0.896 151 L HN 0.374 nan 8.230 nan 0.000 0.432 152 E N 0.337 120.231 120.200 -0.509 0.000 2.086 152 E HA -0.245 4.107 4.350 0.003 0.000 0.190 152 E C 2.232 178.723 176.600 -0.181 0.000 0.975 152 E CA 0.557 56.712 56.400 -0.409 0.000 0.813 152 E CB 0.169 29.508 29.700 -0.603 0.000 0.768 152 E HN 0.219 nan 8.360 nan 0.000 0.457 153 R N 1.278 121.696 120.500 -0.137 0.000 2.136 153 R HA -0.163 4.179 4.340 0.003 0.000 0.242 153 R C 1.558 177.831 176.300 -0.045 0.000 1.131 153 R CA 2.833 58.898 56.100 -0.057 0.000 0.937 153 R CB -0.508 29.782 30.300 -0.015 0.000 0.863 153 R HN 0.188 nan 8.270 nan 0.000 0.435 154 S N -3.294 112.406 115.700 0.001 0.000 3.101 154 S HA 0.262 4.734 4.470 0.003 0.000 0.252 154 S C 0.288 174.804 174.600 -0.139 0.000 0.920 154 S CA -0.726 57.416 58.200 -0.097 0.000 1.158 154 S CB -0.377 62.736 63.200 -0.146 0.000 1.125 154 S HN 0.323 nan 8.310 nan 0.000 0.608 155 Y N 1.485 121.799 120.300 0.023 0.000 2.697 155 Y HA 0.508 5.060 4.550 0.003 0.000 0.268 155 Y C 0.693 176.615 175.900 0.036 0.000 1.092 155 Y CA -0.527 57.642 58.100 0.115 0.000 1.304 155 Y CB 0.016 38.497 38.460 0.035 0.000 1.446 155 Y HN 0.151 nan 8.280 nan 0.000 0.491 156 L N 2.583 123.869 121.223 0.106 0.000 2.513 156 L HA 0.001 4.343 4.340 0.003 0.000 0.272 156 L C -0.407 176.465 176.870 0.002 0.000 1.187 156 L CA 0.112 54.973 54.840 0.035 0.000 0.895 156 L CB 0.000 42.039 42.059 -0.033 0.000 1.147 156 L HN 0.094 nan 8.230 nan 0.000 0.483 157 L N 4.531 125.759 121.223 0.008 0.000 2.490 157 L HA 0.155 4.497 4.340 0.003 0.000 0.274 157 L C 0.642 177.463 176.870 -0.081 0.000 1.201 157 L CA 0.237 55.049 54.840 -0.047 0.000 0.869 157 L CB 0.085 42.117 42.059 -0.044 0.000 1.123 157 L HN 0.602 nan 8.230 nan 0.000 0.484 158 R N 3.401 123.824 120.500 -0.129 0.000 2.598 158 R HA 0.653 4.995 4.340 0.003 0.000 0.279 158 R C -0.814 175.347 176.300 -0.231 0.000 0.984 158 R CA -0.752 55.264 56.100 -0.141 0.000 0.999 158 R CB 1.669 31.896 30.300 -0.123 0.000 1.114 158 R HN 0.500 nan 8.270 nan 0.000 0.493 159 I N 2.274 122.730 120.570 -0.190 0.000 2.389 159 I HA 0.093 4.265 4.170 0.003 0.000 0.288 159 I C 0.055 176.124 176.117 -0.079 0.000 0.999 159 I CA -0.558 60.592 61.300 -0.249 0.000 1.129 159 I CB 1.564 39.493 38.000 -0.117 0.000 1.288 159 I HN 0.696 nan 8.210 nan 0.000 0.444 160 N N 5.056 123.739 118.700 -0.029 0.000 2.707 160 N HA -0.226 4.516 4.740 0.003 0.000 0.253 160 N C 0.984 176.500 175.510 0.009 0.000 0.998 160 N CA 1.295 54.391 53.050 0.077 0.000 0.751 160 N CB -0.391 38.184 38.487 0.146 0.000 0.920 160 N HN 1.175 nan 8.380 nan 0.000 0.539 161 G N -1.112 107.666 108.800 -0.037 0.000 2.304 161 G HA2 -0.366 3.596 3.960 0.003 0.000 0.252 161 G HA3 -0.366 3.596 3.960 0.003 0.000 0.252 161 G C -0.020 174.862 174.900 -0.031 0.000 1.014 161 G CA 0.756 45.835 45.100 -0.035 0.000 0.619 161 G HN 0.633 nan 8.290 nan 0.000 0.525 162 Q N 0.449 120.236 119.800 -0.022 0.000 2.259 162 Q HA 0.537 4.879 4.340 0.003 0.000 0.246 162 Q C 0.410 176.394 176.000 -0.027 0.000 0.920 162 Q CA -0.564 55.230 55.803 -0.014 0.000 0.895 162 Q CB 1.431 30.171 28.738 0.002 0.000 1.220 162 Q HN 0.203 nan 8.270 nan 0.000 0.439 163 V N 3.180 123.085 119.914 -0.015 0.000 2.529 163 V HA 0.014 4.136 4.120 0.003 0.000 0.292 163 V C 0.733 176.826 176.094 -0.001 0.000 1.028 163 V CA 0.904 63.195 62.300 -0.014 0.000 1.074 163 V CB 0.726 32.549 31.823 0.000 0.000 0.958 163 V HN 0.975 nan 8.190 nan 0.000 0.481 164 A N 4.157 126.968 122.820 -0.016 0.000 2.085 164 A HA 0.239 4.561 4.320 0.003 0.000 0.208 164 A C 0.901 178.491 177.584 0.010 0.000 1.191 164 A CA 0.065 52.090 52.037 -0.020 0.000 0.799 164 A CB 0.129 19.092 19.000 -0.061 0.000 0.877 164 A HN 0.742 nan 8.150 nan 0.000 0.473 165 E N 0.490 120.726 120.200 0.061 0.000 2.175 165 E HA 0.393 4.745 4.350 0.003 0.000 0.278 165 E C -0.517 176.269 176.600 0.310 0.000 0.969 165 E CA -0.573 55.938 56.400 0.185 0.000 0.796 165 E CB 1.134 30.925 29.700 0.152 0.000 1.104 165 E HN 0.303 nan 8.360 nan 0.000 0.395 166 R N 3.376 124.295 120.500 0.697 0.000 2.531 166 R HA 0.121 4.463 4.340 0.003 0.000 0.273 166 R C -1.672 174.716 176.300 0.145 0.000 1.070 166 R CA -1.627 54.671 56.100 0.331 0.000 1.112 166 R CB 0.420 30.817 30.300 0.162 0.000 1.049 166 R HN 0.338 nan 8.270 nan 0.000 0.508 167 P HA -0.253 nan 4.420 nan 0.000 0.216 167 P C 0.801 178.084 177.300 -0.028 0.000 1.154 167 P CA 1.358 64.425 63.100 -0.055 0.000 0.865 167 P CB 0.251 31.886 31.700 -0.109 0.000 0.789 168 Q N -1.492 118.257 119.800 -0.086 0.000 2.170 168 Q HA -0.192 4.150 4.340 0.003 0.000 0.203 168 Q C 2.112 178.070 176.000 -0.070 0.000 0.976 168 Q CA 1.679 57.402 55.803 -0.133 0.000 0.858 168 Q CB -1.221 27.276 28.738 -0.401 0.000 0.907 168 Q HN 0.590 nan 8.270 nan 0.000 0.433 169 H N 0.278 119.447 119.070 0.165 0.000 2.357 169 H HA -0.051 4.507 4.556 0.003 0.000 0.301 169 H C 2.171 177.658 175.328 0.265 0.000 1.082 169 H CA 1.076 57.317 56.048 0.322 0.000 1.342 169 H CB -0.065 29.931 29.762 0.390 0.000 1.389 169 H HN 0.116 nan 8.280 nan 0.000 0.511 170 L N 0.574 121.954 121.223 0.263 0.000 2.012 170 L HA -0.178 4.164 4.340 0.003 0.000 0.210 170 L C 1.977 178.931 176.870 0.141 0.000 1.073 170 L CA 1.376 56.322 54.840 0.177 0.000 0.748 170 L CB -0.243 41.873 42.059 0.095 0.000 0.891 170 L HN 0.268 nan 8.230 nan 0.000 0.431 171 I N -0.809 119.821 120.570 0.100 0.000 2.142 171 I HA -0.348 3.824 4.170 0.003 0.000 0.240 171 I C 2.570 178.774 176.117 0.145 0.000 1.078 171 I CA 1.615 62.969 61.300 0.090 0.000 1.343 171 I CB -0.300 37.716 38.000 0.027 0.000 1.046 171 I HN 0.394 nan 8.210 nan 0.000 0.405 172 M N 0.853 120.525 119.600 0.119 0.000 2.159 172 M HA -0.202 4.280 4.480 0.003 0.000 0.263 172 M C 2.283 178.638 176.300 0.092 0.000 1.063 172 M CA 1.705 56.965 55.300 -0.065 0.000 1.110 172 M CB -0.613 31.557 32.600 -0.717 0.000 1.374 172 M HN 0.027 nan 8.290 nan 0.000 0.411 173 R N -0.710 119.947 120.500 0.262 0.000 2.070 173 R HA -0.130 4.212 4.340 0.003 0.000 0.233 173 R C 1.854 178.250 176.300 0.160 0.000 1.137 173 R CA 2.177 58.448 56.100 0.285 0.000 0.945 173 R CB -0.671 29.793 30.300 0.273 0.000 0.845 173 R HN 0.316 nan 8.270 nan 0.000 0.430 174 V N 1.522 121.508 119.914 0.119 0.000 2.231 174 V HA -0.333 3.789 4.120 0.003 0.000 0.250 174 V C 2.583 178.702 176.094 0.041 0.000 1.058 174 V CA 2.204 64.536 62.300 0.053 0.000 1.022 174 V CB -1.072 30.772 31.823 0.035 0.000 0.640 174 V HN 0.643 nan 8.190 nan 0.000 0.445 175 A N -0.582 122.297 122.820 0.098 0.000 1.927 175 A HA -0.224 4.098 4.320 0.003 0.000 0.220 175 A C 2.124 179.804 177.584 0.161 0.000 1.185 175 A CA 2.149 54.283 52.037 0.163 0.000 0.639 175 A CB -0.570 18.553 19.000 0.205 0.000 0.820 175 A HN 0.416 nan 8.150 nan 0.000 0.451 176 L N -0.518 120.780 121.223 0.125 0.000 2.072 176 L HA -0.001 4.341 4.340 0.003 0.000 0.205 176 L C 2.769 179.687 176.870 0.080 0.000 1.079 176 L CA 1.827 56.738 54.840 0.119 0.000 0.752 176 L CB -1.784 40.356 42.059 0.135 0.000 0.906 176 L HN 0.402 nan 8.230 nan 0.000 0.436 177 G N -0.390 108.444 108.800 0.057 0.000 2.469 177 G HA2 -0.243 3.719 3.960 0.003 0.000 0.220 177 G HA3 -0.243 3.719 3.960 0.003 0.000 0.220 177 G C 1.662 176.539 174.900 -0.037 0.000 1.136 177 G CA 1.054 46.166 45.100 0.021 0.000 0.759 177 G HN 0.412 nan 8.290 nan 0.000 0.562 178 I N -0.800 119.702 120.570 -0.113 0.000 2.333 178 I HA -0.015 4.157 4.170 0.003 0.000 0.246 178 I C 2.245 178.204 176.117 -0.264 0.000 1.106 178 I CA 0.800 61.939 61.300 -0.269 0.000 1.411 178 I CB -0.207 37.498 38.000 -0.492 0.000 1.082 178 I HN 0.125 nan 8.210 nan 0.000 0.420 179 H N 0.452 119.537 119.070 0.025 0.000 2.654 179 H HA 0.222 4.780 4.556 0.003 0.000 0.264 179 H C 1.598 176.942 175.328 0.027 0.000 0.954 179 H CA 0.734 56.799 56.048 0.029 0.000 1.199 179 H CB 0.315 30.098 29.762 0.035 0.000 1.446 179 H HN 0.379 nan 8.280 nan 0.000 0.516 180 G N 2.131 111.005 108.800 0.123 0.000 2.622 180 G HA2 -0.397 3.565 3.960 0.003 0.000 0.307 180 G HA3 -0.397 3.565 3.960 0.003 0.000 0.307 180 G C 1.225 176.172 174.900 0.078 0.000 1.226 180 G CA 0.527 45.677 45.100 0.084 0.000 0.997 180 G HN 0.315 nan 8.290 nan 0.000 0.551 181 R N 1.539 122.074 120.500 0.058 0.000 2.316 181 R HA 0.051 4.393 4.340 0.003 0.000 0.202 181 R C 1.132 177.451 176.300 0.031 0.000 1.029 181 R CA 0.830 56.952 56.100 0.037 0.000 1.018 181 R CB -0.693 29.623 30.300 0.027 0.000 0.888 181 R HN 0.522 nan 8.270 nan 0.000 0.471 182 D N 1.023 121.452 120.400 0.049 0.000 2.801 182 D HA 0.029 4.671 4.640 0.003 0.000 0.232 182 D C 1.054 177.343 176.300 -0.018 0.000 1.128 182 D CA -0.166 53.842 54.000 0.015 0.000 1.003 182 D CB -0.271 40.546 40.800 0.028 0.000 1.110 182 D HN -0.049 nan 8.370 nan 0.000 0.477 183 I N 1.058 121.621 120.570 -0.011 0.000 2.315 183 I HA -0.268 3.904 4.170 0.003 0.000 0.251 183 I C 2.263 178.350 176.117 -0.050 0.000 1.125 183 I CA 1.090 62.378 61.300 -0.021 0.000 1.392 183 I CB 0.087 38.076 38.000 -0.019 0.000 1.065 183 I HN 0.181 nan 8.210 nan 0.000 0.424 184 E N 0.366 120.530 120.200 -0.061 0.000 2.028 184 E HA -0.151 4.201 4.350 0.003 0.000 0.191 184 E C 2.437 178.961 176.600 -0.125 0.000 0.988 184 E CA 1.471 57.828 56.400 -0.073 0.000 0.799 184 E CB -0.762 28.904 29.700 -0.058 0.000 0.755 184 E HN 0.479 nan 8.360 nan 0.000 0.447 185 A N 1.693 124.383 122.820 -0.217 0.000 1.892 185 A HA -0.205 4.117 4.320 0.003 0.000 0.218 185 A C 2.455 179.725 177.584 -0.524 0.000 1.188 185 A CA 2.764 54.512 52.037 -0.482 0.000 0.631 185 A CB -0.900 17.630 19.000 -0.783 0.000 0.822 185 A HN 0.283 nan 8.150 nan 0.000 0.447 186 A N -0.947 121.690 122.820 -0.305 0.000 1.892 186 A HA -0.106 4.216 4.320 0.003 0.000 0.218 186 A C 2.109 179.723 177.584 0.051 0.000 1.188 186 A CA 1.923 53.976 52.037 0.027 0.000 0.631 186 A CB -0.620 18.427 19.000 0.079 0.000 0.822 186 A HN 0.461 nan 8.150 nan 0.000 0.447 187 L N -0.279 120.939 121.223 -0.007 0.000 2.056 187 L HA -0.138 4.204 4.340 0.003 0.000 0.207 187 L C 2.428 179.348 176.870 0.083 0.000 1.078 187 L CA 2.302 57.156 54.840 0.023 0.000 0.749 187 L CB -0.670 41.376 42.059 -0.022 0.000 0.901 187 L HN 0.643 nan 8.230 nan 0.000 0.433 188 E N -1.256 118.961 120.200 0.028 0.000 2.038 188 E HA -0.239 4.113 4.350 0.003 0.000 0.195 188 E C 1.907 178.573 176.600 0.109 0.000 1.000 188 E CA 1.957 58.383 56.400 0.043 0.000 0.803 188 E CB -0.007 29.692 29.700 -0.003 0.000 0.750 188 E HN 0.447 nan 8.360 nan 0.000 0.448 189 T N 0.259 114.912 114.554 0.166 0.000 2.684 189 T HA -0.230 4.122 4.350 0.003 0.000 0.267 189 T C 1.489 176.273 174.700 0.139 0.000 1.036 189 T CA 1.580 63.856 62.100 0.293 0.000 1.148 189 T CB -0.662 68.471 68.868 0.442 0.000 0.863 189 T HN 0.381 nan 8.240 nan 0.000 0.436 190 Y N 2.844 123.161 120.300 0.029 0.000 2.069 190 Y HA -0.278 4.274 4.550 0.003 0.000 0.278 190 Y C 2.320 178.177 175.900 -0.072 0.000 1.175 190 Y CA 1.641 59.712 58.100 -0.048 0.000 1.134 190 Y CB -0.637 37.769 38.460 -0.090 0.000 0.965 190 Y HN 0.119 nan 8.280 nan 0.000 0.498 191 N N 0.533 119.162 118.700 -0.118 0.000 2.069 191 N HA -0.195 4.547 4.740 0.003 0.000 0.191 191 N C 1.940 177.343 175.510 -0.179 0.000 1.031 191 N CA 1.993 54.925 53.050 -0.196 0.000 0.852 191 N CB -0.548 37.945 38.487 0.010 0.000 1.018 191 N HN 0.448 nan 8.380 nan 0.000 0.423 192 L N 0.488 121.663 121.223 -0.081 0.000 2.131 192 L HA -0.092 4.250 4.340 0.003 0.000 0.210 192 L C 2.437 179.153 176.870 -0.256 0.000 1.092 192 L CA 0.881 55.721 54.840 0.001 0.000 0.759 192 L CB -0.278 41.873 42.059 0.152 0.000 0.903 192 L HN 0.170 nan 8.230 nan 0.000 0.435 193 M N -0.695 118.611 119.600 -0.490 0.000 2.160 193 M HA -0.120 4.362 4.480 0.003 0.000 0.264 193 M C 2.677 178.743 176.300 -0.389 0.000 1.073 193 M CA 1.750 56.714 55.300 -0.560 0.000 1.142 193 M CB -0.333 31.993 32.600 -0.456 0.000 1.358 193 M HN 0.338 nan 8.290 nan 0.000 0.422 194 S N 0.980 116.393 115.700 -0.479 0.000 2.359 194 S HA -0.136 4.336 4.470 0.003 0.000 0.224 194 S C 1.670 176.051 174.600 -0.366 0.000 1.035 194 S CA 1.038 58.955 58.200 -0.473 0.000 1.018 194 S CB -0.728 61.978 63.200 -0.824 0.000 0.876 194 S HN 0.290 nan 8.310 nan 0.000 0.448 195 L N 1.545 122.581 121.223 -0.311 0.000 2.622 195 L HA 0.249 4.591 4.340 0.003 0.000 0.233 195 L C 0.695 177.318 176.870 -0.411 0.000 1.156 195 L CA 0.809 55.480 54.840 -0.281 0.000 0.866 195 L CB -1.480 40.525 42.059 -0.090 0.000 0.980 195 L HN 0.375 nan 8.230 nan 0.000 0.448 196 K N -1.979 118.208 120.400 -0.356 0.000 3.125 196 K HA -0.280 4.042 4.320 0.003 0.000 0.268 196 K C 0.645 177.040 176.600 -0.341 0.000 1.078 196 K CA 0.567 56.662 56.287 -0.320 0.000 0.775 196 K CB -2.131 30.178 32.500 -0.319 0.000 1.253 196 K HN 0.261 nan 8.250 nan 0.000 0.486 197 Y N -0.208 119.962 120.300 -0.216 0.000 2.269 197 Y HA 0.029 4.581 4.550 0.003 0.000 0.294 197 Y C 1.199 177.170 175.900 0.118 0.000 1.120 197 Y CA 1.273 59.294 58.100 -0.131 0.000 1.159 197 Y CB 0.339 38.781 38.460 -0.030 0.000 1.024 197 Y HN 0.367 nan 8.280 nan 0.000 0.532 198 F N -3.468 116.567 119.950 0.142 0.000 2.779 198 F HA 0.681 5.210 4.527 0.003 0.000 0.316 198 F C -0.906 174.923 175.800 0.049 0.000 1.164 198 F CA -1.227 56.827 58.000 0.090 0.000 0.924 198 F CB 1.632 40.679 39.000 0.077 0.000 1.348 198 F HN -0.411 nan 8.300 nan 0.000 0.467 199 T N -0.592 114.094 114.554 0.219 0.000 2.853 199 T HA 0.382 4.734 4.350 0.003 0.000 0.311 199 T C -1.807 172.987 174.700 0.157 0.000 1.307 199 T CA -0.475 61.690 62.100 0.109 0.000 1.019 199 T CB 1.245 70.125 68.868 0.020 0.000 1.264 199 T HN 0.818 nan 8.240 nan 0.000 0.497 200 H N 0.473 119.630 119.070 0.145 0.000 2.495 200 H HA 0.664 5.222 4.556 0.003 0.000 0.350 200 H C 0.574 175.924 175.328 0.037 0.000 1.202 200 H CA -0.388 55.725 56.048 0.108 0.000 1.322 200 H CB 1.553 31.372 29.762 0.095 0.000 1.544 200 H HN 0.820 nan 8.280 nan 0.000 0.565 201 A N 0.845 123.747 122.820 0.136 0.000 2.346 201 A HA 0.104 4.426 4.320 0.003 0.000 0.252 201 A C 1.373 178.947 177.584 -0.016 0.000 1.089 201 A CA -0.080 51.986 52.037 0.049 0.000 0.797 201 A CB 0.234 19.256 19.000 0.038 0.000 1.047 201 A HN 0.813 nan 8.150 nan 0.000 0.494 202 S N 1.530 117.175 115.700 -0.092 0.000 2.365 202 S HA -0.129 4.343 4.470 0.003 0.000 0.225 202 S C -0.663 173.526 174.600 -0.686 0.000 1.039 202 S CA 2.014 60.013 58.200 -0.336 0.000 1.033 202 S CB -1.332 61.644 63.200 -0.374 0.000 0.887 202 S HN 0.753 nan 8.310 nan 0.000 0.447 203 P HA -0.121 nan 4.420 nan 0.000 0.215 203 P C 1.458 178.758 177.300 0.001 0.000 1.157 203 P CA 1.497 64.564 63.100 -0.055 0.000 0.874 203 P CB -0.561 31.184 31.700 0.075 0.000 0.790 204 T N 0.723 115.275 114.554 -0.003 0.000 2.665 204 T HA -0.146 4.207 4.350 0.003 0.000 0.268 204 T C 1.944 176.658 174.700 0.024 0.000 1.035 204 T CA 1.344 63.451 62.100 0.013 0.000 1.151 204 T CB -0.939 67.950 68.868 0.034 0.000 0.862 204 T HN 0.076 nan 8.240 nan 0.000 0.438 205 L N -0.417 120.814 121.223 0.014 0.000 2.017 205 L HA -0.028 4.314 4.340 0.003 0.000 0.208 205 L C 2.397 179.378 176.870 0.185 0.000 1.073 205 L CA 1.506 56.397 54.840 0.085 0.000 0.745 205 L CB -0.782 41.348 42.059 0.119 0.000 0.894 205 L HN 0.279 nan 8.230 nan 0.000 0.432 206 F N 0.506 120.520 119.950 0.106 0.000 2.065 206 F HA -0.268 4.261 4.527 0.003 0.000 0.298 206 F C 2.056 177.863 175.800 0.013 0.000 1.112 206 F CA 1.152 59.158 58.000 0.009 0.000 1.212 206 F CB -0.220 38.751 39.000 -0.049 0.000 0.975 206 F HN 0.233 nan 8.300 nan 0.000 0.476 207 N N -0.489 118.348 118.700 0.228 0.000 2.197 207 N HA 0.185 4.927 4.740 0.003 0.000 0.201 207 N C 0.010 175.567 175.510 0.079 0.000 1.148 207 N CA 0.189 53.318 53.050 0.132 0.000 0.883 207 N CB 0.155 38.719 38.487 0.127 0.000 1.012 207 N HN 0.001 nan 8.380 nan 0.000 0.507 208 A N 0.136 122.997 122.820 0.068 0.000 2.488 208 A HA 0.495 4.817 4.320 0.003 0.000 0.249 208 A C 1.443 179.061 177.584 0.058 0.000 1.083 208 A CA 0.650 52.709 52.037 0.035 0.000 0.768 208 A CB -0.436 18.562 19.000 -0.004 0.000 1.017 208 A HN 0.444 nan 8.150 nan 0.000 0.496 209 G N 1.639 110.470 108.800 0.052 0.000 2.176 209 G HA2 -0.164 3.798 3.960 0.003 0.000 0.253 209 G HA3 -0.164 3.798 3.960 0.003 0.000 0.253 209 G C 0.539 175.483 174.900 0.073 0.000 0.979 209 G CA 1.160 46.304 45.100 0.073 0.000 0.641 209 G HN 2.152 nan 8.290 nan 0.000 0.530 210 T N -2.335 112.251 114.554 0.053 0.000 2.943 210 T HA 0.725 5.077 4.350 0.003 0.000 0.284 210 T C -0.709 173.998 174.700 0.013 0.000 1.015 210 T CA -1.029 61.093 62.100 0.036 0.000 1.042 210 T CB 2.819 71.698 68.868 0.019 0.000 1.055 210 T HN -0.083 nan 8.240 nan 0.000 0.500 211 P HA -0.082 nan 4.420 nan 0.000 0.218 211 P C 0.427 177.656 177.300 -0.119 0.000 1.148 211 P CA 1.225 64.302 63.100 -0.039 0.000 0.822 211 P CB 0.126 31.796 31.700 -0.050 0.000 0.784 212 K N 0.796 121.102 120.400 -0.156 0.000 2.360 212 K HA 0.227 4.549 4.320 0.003 0.000 0.235 212 K C -2.553 173.969 176.600 -0.130 0.000 1.077 212 K CA -2.101 54.003 56.287 -0.304 0.000 1.035 212 K CB 0.736 33.013 32.500 -0.373 0.000 1.623 212 K HN -0.012 nan 8.250 nan 0.000 0.462 213 P HA 0.105 nan 4.420 nan 0.000 0.232 213 P C -0.738 176.620 177.300 0.097 0.000 1.814 213 P CA -0.326 62.797 63.100 0.038 0.000 1.085 213 P CB 0.454 32.176 31.700 0.036 0.000 1.901 214 Q N 2.748 122.626 119.800 0.129 0.000 2.456 214 Q HA 0.307 4.649 4.340 0.003 0.000 0.234 214 Q C 0.390 176.462 176.000 0.121 0.000 1.061 214 Q CA -0.018 55.888 55.803 0.171 0.000 0.896 214 Q CB 0.730 29.622 28.738 0.256 0.000 1.233 214 Q HN 0.407 nan 8.270 nan 0.000 0.506 215 M N 0.283 119.914 119.600 0.051 0.000 2.382 215 M HA 0.136 4.618 4.480 0.003 0.000 0.247 215 M C 0.427 176.742 176.300 0.025 0.000 1.104 215 M CA 0.008 55.329 55.300 0.035 0.000 1.030 215 M CB 0.717 33.314 32.600 -0.005 0.000 1.424 215 M HN 0.173 nan 8.290 nan 0.000 0.486 216 S N 0.297 116.004 115.700 0.011 0.000 2.565 216 S HA 0.150 4.622 4.470 0.003 0.000 0.276 216 S C 1.042 175.614 174.600 -0.046 0.000 1.326 216 S CA -0.509 57.649 58.200 -0.071 0.000 1.045 216 S CB 1.330 64.394 63.200 -0.227 0.000 0.918 216 S HN 0.230 nan 8.310 nan 0.000 0.505 217 S N 0.404 116.051 115.700 -0.088 0.000 2.492 217 S HA 0.131 4.603 4.470 0.003 0.000 0.218 217 S C 0.556 175.125 174.600 -0.052 0.000 1.016 217 S CA -0.204 57.982 58.200 -0.022 0.000 0.916 217 S CB -0.174 63.026 63.200 -0.000 0.000 0.791 217 S HN 0.893 nan 8.310 nan 0.000 0.513 218 C N 0.265 119.420 119.300 -0.243 0.000 2.994 218 C HA 0.861 5.323 4.460 0.003 0.000 0.305 218 C C -1.237 173.458 174.990 -0.491 0.000 1.251 218 C CA -1.624 57.279 59.018 -0.191 0.000 1.478 218 C CB -0.006 27.694 27.740 -0.067 0.000 1.922 218 C HN 0.248 nan 8.230 nan 0.000 0.472 219 F N 1.372 121.339 119.950 0.028 0.000 2.539 219 F HA 0.641 5.170 4.527 0.003 0.000 0.318 219 F C -0.259 175.516 175.800 -0.042 0.000 1.135 219 F CA -0.808 57.194 58.000 0.003 0.000 0.915 219 F CB 1.568 40.571 39.000 0.004 0.000 1.176 219 F HN 0.367 nan 8.300 nan 0.000 0.440 220 L N 5.177 126.451 121.223 0.085 0.000 2.295 220 L HA 0.534 4.876 4.340 0.003 0.000 0.281 220 L C -0.707 176.126 176.870 -0.062 0.000 1.018 220 L CA -0.685 54.135 54.840 -0.033 0.000 0.841 220 L CB 1.260 43.263 42.059 -0.094 0.000 1.218 220 L HN 0.311 nan 8.230 nan 0.000 0.424 221 V N 2.507 122.337 119.914 -0.139 0.000 2.435 221 V HA 0.545 4.667 4.120 0.003 0.000 0.290 221 V C 0.611 176.432 176.094 -0.455 0.000 1.030 221 V CA -0.690 61.481 62.300 -0.215 0.000 0.881 221 V CB 1.775 33.473 31.823 -0.209 0.000 0.983 221 V HN 0.844 nan 8.190 nan 0.000 0.445 222 A N 5.309 127.885 122.820 -0.406 0.000 2.320 222 A HA 0.638 4.960 4.320 0.003 0.000 0.287 222 A C -0.013 177.351 177.584 -0.366 0.000 1.181 222 A CA -0.550 51.148 52.037 -0.564 0.000 0.831 222 A CB 0.290 19.193 19.000 -0.162 0.000 1.102 222 A HN 0.936 nan 8.150 nan 0.000 0.513 223 M N 3.493 122.847 119.600 -0.410 0.000 2.474 223 M HA 0.050 4.532 4.480 0.003 0.000 0.352 223 M C 1.008 177.271 176.300 -0.062 0.000 1.690 223 M CA 0.752 55.940 55.300 -0.187 0.000 1.112 223 M CB -0.136 32.362 32.600 -0.170 0.000 2.062 223 M HN 0.717 nan 8.290 nan 0.000 0.461 224 K N 2.770 123.154 120.400 -0.026 0.000 2.152 224 K HA -0.098 4.224 4.320 0.003 0.000 0.206 224 K C 0.310 176.934 176.600 0.039 0.000 1.048 224 K CA 1.371 57.664 56.287 0.010 0.000 0.933 224 K CB -0.018 32.493 32.500 0.018 0.000 0.721 224 K HN 0.809 nan 8.250 nan 0.000 0.447 225 E N -0.042 120.187 120.200 0.048 0.000 2.393 225 E HA -0.019 4.333 4.350 0.003 0.000 0.282 225 E C -1.902 174.742 176.600 0.073 0.000 1.096 225 E CA -0.368 56.072 56.400 0.065 0.000 0.866 225 E CB 1.296 31.034 29.700 0.063 0.000 1.232 225 E HN -0.102 nan 8.360 nan 0.000 0.431 226 D N 2.071 122.521 120.400 0.084 0.000 2.767 226 D HA 0.180 4.822 4.640 0.003 0.000 0.231 226 D C -1.101 175.249 176.300 0.084 0.000 1.105 226 D CA 0.463 54.517 54.000 0.091 0.000 1.024 226 D CB -0.203 40.660 40.800 0.105 0.000 1.123 226 D HN 0.414 nan 8.370 nan 0.000 0.470 227 S N 0.109 115.860 115.700 0.084 0.000 2.607 227 S HA 0.342 4.814 4.470 0.003 0.000 0.273 227 S C 1.028 175.693 174.600 0.109 0.000 1.148 227 S CA -0.884 57.366 58.200 0.082 0.000 0.833 227 S CB 0.960 64.203 63.200 0.070 0.000 1.130 227 S HN -0.068 nan 8.310 nan 0.000 0.470 228 I N 1.438 122.074 120.570 0.111 0.000 2.179 228 I HA -0.120 4.052 4.170 0.003 0.000 0.242 228 I C 2.673 178.912 176.117 0.203 0.000 1.088 228 I CA 1.845 63.249 61.300 0.172 0.000 1.357 228 I CB -1.303 36.760 38.000 0.105 0.000 1.051 228 I HN 1.001 nan 8.210 nan 0.000 0.409 229 E N 0.711 120.980 120.200 0.115 0.000 2.070 229 E HA -0.228 4.124 4.350 0.003 0.000 0.197 229 E C 2.278 178.949 176.600 0.119 0.000 1.004 229 E CA 1.654 58.114 56.400 0.101 0.000 0.805 229 E CB -0.278 29.457 29.700 0.059 0.000 0.744 229 E HN 0.514 nan 8.360 nan 0.000 0.451 230 G N 0.754 109.615 108.800 0.102 0.000 2.402 230 G HA2 -0.228 3.734 3.960 0.003 0.000 0.216 230 G HA3 -0.228 3.734 3.960 0.003 0.000 0.216 230 G C 1.571 176.526 174.900 0.090 0.000 1.162 230 G CA 0.822 45.972 45.100 0.084 0.000 0.777 230 G HN 0.233 nan 8.290 nan 0.000 0.539 231 I N -0.729 119.907 120.570 0.110 0.000 2.163 231 I HA -0.184 3.988 4.170 0.003 0.000 0.243 231 I C 2.343 178.412 176.117 -0.079 0.000 1.085 231 I CA 1.115 62.451 61.300 0.060 0.000 1.347 231 I CB -0.158 37.870 38.000 0.047 0.000 1.044 231 I HN 0.145 nan 8.210 nan 0.000 0.408 232 Y N 0.198 120.504 120.300 0.011 0.000 2.475 232 Y HA -0.127 4.425 4.550 0.003 0.000 0.289 232 Y C 2.191 178.073 175.900 -0.031 0.000 1.121 232 Y CA 0.662 58.737 58.100 -0.041 0.000 1.257 232 Y CB -0.278 38.156 38.460 -0.043 0.000 1.026 232 Y HN 0.170 nan 8.280 nan 0.000 0.555 233 D N -0.727 119.739 120.400 0.110 0.000 2.117 233 D HA -0.127 4.515 4.640 0.003 0.000 0.198 233 D C 1.949 178.263 176.300 0.022 0.000 0.982 233 D CA 1.803 55.837 54.000 0.057 0.000 0.828 233 D CB -0.307 40.522 40.800 0.048 0.000 0.967 233 D HN 0.278 nan 8.370 nan 0.000 0.464 234 T N 1.463 116.036 114.554 0.032 0.000 2.777 234 T HA -0.112 4.240 4.350 0.003 0.000 0.266 234 T C 1.980 176.711 174.700 0.051 0.000 1.040 234 T CA 0.297 62.429 62.100 0.053 0.000 1.141 234 T CB -0.270 68.667 68.868 0.115 0.000 0.868 234 T HN 0.005 nan 8.240 nan 0.000 0.444 235 L N 1.611 122.777 121.223 -0.095 0.000 2.012 235 L HA -0.039 4.303 4.340 0.003 0.000 0.210 235 L C 2.401 179.183 176.870 -0.146 0.000 1.073 235 L CA 1.853 56.467 54.840 -0.376 0.000 0.748 235 L CB -0.541 41.134 42.059 -0.640 0.000 0.891 235 L HN 0.122 nan 8.230 nan 0.000 0.431 236 K N -0.676 119.687 120.400 -0.062 0.000 2.026 236 K HA -0.257 4.065 4.320 0.003 0.000 0.208 236 K C 2.166 178.754 176.600 -0.020 0.000 1.048 236 K CA 1.843 58.123 56.287 -0.012 0.000 0.929 236 K CB -0.247 32.264 32.500 0.017 0.000 0.713 236 K HN 0.504 nan 8.250 nan 0.000 0.439 237 E N 0.032 120.212 120.200 -0.034 0.000 2.077 237 E HA -0.194 4.158 4.350 0.003 0.000 0.193 237 E C 1.932 178.472 176.600 -0.100 0.000 0.989 237 E CA 1.393 57.756 56.400 -0.062 0.000 0.800 237 E CB -0.043 29.618 29.700 -0.065 0.000 0.746 237 E HN 0.449 nan 8.360 nan 0.000 0.452 238 C N 0.491 119.729 119.300 -0.104 0.000 2.429 238 C HA -0.078 4.384 4.460 0.003 0.000 0.277 238 C C 2.826 177.785 174.990 -0.052 0.000 1.262 238 C CA 0.859 59.761 59.018 -0.193 0.000 1.733 238 C CB -1.078 26.454 27.740 -0.345 0.000 2.010 238 C HN 0.606 nan 8.230 nan 0.000 0.483 239 A N 0.641 123.478 122.820 0.028 0.000 1.841 239 A HA -0.146 4.176 4.320 0.003 0.000 0.216 239 A C 2.101 179.709 177.584 0.040 0.000 1.199 239 A CA 1.618 53.709 52.037 0.091 0.000 0.621 239 A CB -0.877 18.182 19.000 0.097 0.000 0.835 239 A HN 0.575 nan 8.150 nan 0.000 0.445 240 L N -0.939 120.286 121.223 0.004 0.000 2.103 240 L HA -0.268 4.074 4.340 0.003 0.000 0.215 240 L C 2.515 179.349 176.870 -0.061 0.000 1.080 240 L CA 1.602 56.433 54.840 -0.016 0.000 0.764 240 L CB -0.554 41.489 42.059 -0.027 0.000 0.890 240 L HN 0.432 nan 8.230 nan 0.000 0.435 241 I N -1.216 119.274 120.570 -0.133 0.000 2.277 241 I HA -0.200 3.972 4.170 0.003 0.000 0.243 241 I C 2.470 178.517 176.117 -0.116 0.000 1.094 241 I CA 0.866 62.006 61.300 -0.268 0.000 1.393 241 I CB -0.046 37.668 38.000 -0.476 0.000 1.078 241 I HN 0.092 nan 8.210 nan 0.000 0.417 242 S N 0.502 116.203 115.700 0.002 0.000 2.440 242 S HA -0.184 4.288 4.470 0.003 0.000 0.238 242 S C 1.917 176.561 174.600 0.074 0.000 1.010 242 S CA 0.962 59.231 58.200 0.116 0.000 0.972 242 S CB -0.256 63.087 63.200 0.238 0.000 0.774 242 S HN 0.311 nan 8.310 nan 0.000 0.501 243 K N 1.187 121.610 120.400 0.038 0.000 2.211 243 K HA -0.077 4.245 4.320 0.003 0.000 0.204 243 K C 1.197 177.819 176.600 0.036 0.000 1.047 243 K CA 1.187 57.488 56.287 0.024 0.000 0.935 243 K CB -0.214 32.301 32.500 0.025 0.000 0.728 243 K HN 0.619 nan 8.250 nan 0.000 0.452 244 T N -3.135 111.457 114.554 0.062 0.000 2.940 244 T HA 0.610 4.962 4.350 0.003 0.000 0.288 244 T C -0.218 174.570 174.700 0.146 0.000 1.045 244 T CA -0.840 61.321 62.100 0.101 0.000 1.018 244 T CB 1.932 70.889 68.868 0.149 0.000 1.151 244 T HN 0.101 nan 8.240 nan 0.000 0.529 245 A N 0.215 123.149 122.820 0.191 0.000 2.547 245 A HA 0.565 4.887 4.320 0.003 0.000 0.233 245 A C 1.091 178.857 177.584 0.303 0.000 1.067 245 A CA 0.452 52.642 52.037 0.255 0.000 0.763 245 A CB -1.263 17.947 19.000 0.350 0.000 1.007 245 A HN 2.452 nan 8.150 nan 0.000 0.506 246 G N -0.139 108.835 108.800 0.291 0.000 2.885 246 G HA2 0.490 4.452 3.960 0.003 0.000 0.685 246 G HA3 0.490 4.452 3.960 0.003 0.000 0.685 246 G C -0.047 175.068 174.900 0.357 0.000 1.216 246 G CA -0.109 45.191 45.100 0.334 0.000 0.790 246 G HN 1.894 nan 8.290 nan 0.000 0.631 247 G N -0.435 108.546 108.800 0.301 0.000 2.477 247 G HA2 0.726 4.688 3.960 0.003 0.000 0.304 247 G HA3 0.726 4.688 3.960 0.003 0.000 0.304 247 G C -0.016 175.070 174.900 0.312 0.000 1.175 247 G CA -0.924 44.356 45.100 0.299 0.000 0.907 247 G HN 0.930 nan 8.290 nan 0.000 0.509 248 I N 0.738 121.486 120.570 0.296 0.000 2.378 248 I HA 0.410 4.582 4.170 0.003 0.000 0.291 248 I C 0.655 176.882 176.117 0.184 0.000 0.992 248 I CA -0.707 60.699 61.300 0.178 0.000 1.154 248 I CB 2.110 40.068 38.000 -0.070 0.000 1.315 248 I HN 0.531 nan 8.210 nan 0.000 0.448 249 G N 6.514 115.384 108.800 0.116 0.000 2.335 249 G HA2 0.600 4.562 3.960 0.003 0.000 0.316 249 G HA3 0.600 4.562 3.960 0.003 0.000 0.316 249 G C -1.313 173.575 174.900 -0.020 0.000 1.129 249 G CA -0.308 44.867 45.100 0.125 0.000 0.899 249 G HN 0.450 nan 8.290 nan 0.000 0.448 250 L N 3.609 124.829 121.223 -0.006 0.000 2.409 250 L HA 0.553 4.895 4.340 0.003 0.000 0.272 250 L C -0.274 176.471 176.870 -0.210 0.000 0.980 250 L CA -0.893 53.814 54.840 -0.221 0.000 0.826 250 L CB 1.586 43.450 42.059 -0.323 0.000 1.268 250 L HN 0.755 nan 8.230 nan 0.000 0.407 251 H N 4.585 123.480 119.070 -0.292 0.000 2.499 251 H HA 0.574 5.132 4.556 0.003 0.000 0.340 251 H C -0.173 174.853 175.328 -0.502 0.000 1.148 251 H CA -0.662 55.108 56.048 -0.463 0.000 1.215 251 H CB 2.007 31.430 29.762 -0.566 0.000 1.529 251 H HN 0.862 nan 8.280 nan 0.000 0.510 252 I N -0.452 119.809 120.570 -0.516 0.000 3.578 252 I HA 0.132 4.304 4.170 0.003 0.000 0.321 252 I C -0.019 175.901 176.117 -0.329 0.000 1.510 252 I CA -0.701 60.372 61.300 -0.378 0.000 1.002 252 I CB 0.044 37.813 38.000 -0.385 0.000 1.427 252 I HN 0.457 nan 8.210 nan 0.000 0.575 253 H N 2.385 121.422 119.070 -0.055 0.000 2.561 253 H HA 0.031 4.589 4.556 0.003 0.000 0.278 253 H C 0.992 176.462 175.328 0.237 0.000 1.014 253 H CA 1.219 57.267 56.048 0.000 0.000 1.211 253 H CB -0.197 29.619 29.762 0.091 0.000 1.365 253 H HN 0.689 nan 8.280 nan 0.000 0.594 254 N N 0.545 119.405 118.700 0.267 0.000 2.205 254 N HA -0.015 4.727 4.740 0.003 0.000 0.201 254 N C 0.189 175.832 175.510 0.222 0.000 1.128 254 N CA -0.124 53.094 53.050 0.280 0.000 0.867 254 N CB 0.407 39.029 38.487 0.225 0.000 0.996 254 N HN 0.009 nan 8.380 nan 0.000 0.503 255 I N 3.433 124.115 120.570 0.186 0.000 2.379 255 I HA 0.082 4.254 4.170 0.003 0.000 0.290 255 I C 1.075 177.373 176.117 0.303 0.000 1.063 255 I CA -0.638 60.766 61.300 0.173 0.000 1.351 255 I CB 0.360 38.402 38.000 0.069 0.000 1.410 255 I HN 0.187 nan 8.210 nan 0.000 0.505 256 R N 4.902 125.530 120.500 0.213 0.000 2.698 256 R HA 0.225 4.567 4.340 0.003 0.000 0.266 256 R C 0.179 176.594 176.300 0.191 0.000 1.026 256 R CA -0.344 55.866 56.100 0.185 0.000 1.102 256 R CB 0.202 30.579 30.300 0.128 0.000 0.978 256 R HN 0.660 nan 8.270 nan 0.000 0.436 257 S N 1.605 117.385 115.700 0.134 0.000 2.707 257 S HA 0.162 4.634 4.470 0.003 0.000 0.276 257 S C -0.166 174.501 174.600 0.111 0.000 1.179 257 S CA -0.876 57.412 58.200 0.147 0.000 0.992 257 S CB 1.168 64.376 63.200 0.013 0.000 1.030 257 S HN 0.643 nan 8.310 nan 0.000 0.554 258 T N 1.536 116.159 114.554 0.115 0.000 2.819 258 T HA 0.378 4.730 4.350 0.003 0.000 0.282 258 T C 1.486 176.227 174.700 0.069 0.000 1.013 258 T CA 1.246 63.398 62.100 0.088 0.000 1.159 258 T CB -0.634 68.284 68.868 0.084 0.000 1.007 258 T HN 1.677 nan 8.240 nan 0.000 0.514 259 G N 3.071 111.908 108.800 0.062 0.000 2.179 259 G HA2 -0.283 3.679 3.960 0.003 0.000 0.260 259 G HA3 -0.283 3.679 3.960 0.003 0.000 0.260 259 G C 0.340 175.282 174.900 0.070 0.000 0.977 259 G CA 0.053 45.187 45.100 0.057 0.000 0.641 259 G HN 0.859 nan 8.290 nan 0.000 0.533 260 S N -0.216 115.530 115.700 0.078 0.000 2.576 260 S HA 0.445 4.917 4.470 0.003 0.000 0.276 260 S C 0.097 174.772 174.600 0.125 0.000 1.339 260 S CA -0.424 57.837 58.200 0.103 0.000 1.039 260 S CB 1.058 64.317 63.200 0.098 0.000 0.902 260 S HN 0.635 nan 8.310 nan 0.000 0.516 261 Y N 2.437 122.749 120.300 0.020 0.000 2.597 261 Y HA 0.316 4.868 4.550 0.003 0.000 0.336 261 Y C -0.307 175.608 175.900 0.024 0.000 1.216 261 Y CA 0.133 58.243 58.100 0.018 0.000 1.463 261 Y CB 0.188 38.654 38.460 0.010 0.000 1.303 261 Y HN 0.467 nan 8.280 nan 0.000 0.576 262 I N 6.362 126.572 120.570 -0.600 0.000 2.439 262 I HA 0.414 4.586 4.170 0.003 0.000 0.285 262 I C -0.212 175.435 176.117 -0.783 0.000 1.021 262 I CA -1.133 59.875 61.300 -0.487 0.000 1.091 262 I CB 1.430 39.292 38.000 -0.230 0.000 1.242 262 I HN 0.800 nan 8.210 nan 0.000 0.439 263 A N 4.285 126.801 122.820 -0.506 0.000 2.540 263 A HA 0.471 4.793 4.320 0.003 0.000 0.239 263 A C 1.283 178.774 177.584 -0.157 0.000 1.061 263 A CA 0.973 52.871 52.037 -0.231 0.000 0.758 263 A CB -0.197 18.819 19.000 0.027 0.000 0.991 263 A HN 1.331 nan 8.150 nan 0.000 0.502 264 G N 0.996 109.735 108.800 -0.102 0.000 2.213 264 G HA2 -0.012 3.950 3.960 0.003 0.000 0.226 264 G HA3 -0.012 3.950 3.960 0.003 0.000 0.226 264 G C 0.477 175.335 174.900 -0.069 0.000 0.992 264 G CA 0.787 45.851 45.100 -0.061 0.000 0.632 264 G HN 2.625 nan 8.290 nan 0.000 0.511 265 T N -3.051 111.435 114.554 -0.114 0.000 2.821 265 T HA 0.585 4.937 4.350 0.003 0.000 0.306 265 T C 0.199 174.841 174.700 -0.097 0.000 1.313 265 T CA -0.036 62.015 62.100 -0.083 0.000 1.012 265 T CB 1.397 70.222 68.868 -0.071 0.000 1.298 265 T HN -0.077 nan 8.240 nan 0.000 0.502 266 N N 0.306 118.978 118.700 -0.047 0.000 2.370 266 N HA 0.175 4.917 4.740 0.003 0.000 0.198 266 N C 0.964 176.456 175.510 -0.029 0.000 1.156 266 N CA 0.150 53.186 53.050 -0.024 0.000 0.839 266 N CB 0.040 38.530 38.487 0.005 0.000 0.989 266 N HN 0.877 nan 8.380 nan 0.000 0.468 267 G N -0.274 108.496 108.800 -0.052 0.000 2.527 267 G HA2 0.233 4.195 3.960 0.003 0.000 0.248 267 G HA3 0.233 4.195 3.960 0.003 0.000 0.248 267 G C -0.417 174.450 174.900 -0.055 0.000 1.231 267 G CA 0.127 45.202 45.100 -0.042 0.000 0.838 267 G HN -0.032 nan 8.290 nan 0.000 0.570 268 T N -0.044 114.498 114.554 -0.019 0.000 2.841 268 T HA 0.465 4.817 4.350 0.003 0.000 0.283 268 T C 0.477 175.185 174.700 0.012 0.000 1.000 268 T CA -0.244 61.855 62.100 -0.001 0.000 0.977 268 T CB 1.236 70.119 68.868 0.024 0.000 0.979 268 T HN 0.702 nan 8.240 nan 0.000 0.446 269 S N 2.665 118.378 115.700 0.022 0.000 2.558 269 S HA 0.018 4.490 4.470 0.003 0.000 0.287 269 S C 1.108 175.740 174.600 0.053 0.000 1.321 269 S CA -0.080 58.145 58.200 0.042 0.000 1.048 269 S CB 0.125 63.361 63.200 0.061 0.000 0.844 269 S HN 0.689 nan 8.310 nan 0.000 0.512 270 N N 2.248 120.984 118.700 0.060 0.000 2.236 270 N HA 0.224 4.966 4.740 0.003 0.000 0.196 270 N C 1.008 176.567 175.510 0.081 0.000 1.114 270 N CA 0.725 53.813 53.050 0.063 0.000 0.859 270 N CB 0.076 38.596 38.487 0.054 0.000 0.982 270 N HN 0.867 nan 8.380 nan 0.000 0.493 271 G N 1.264 110.122 108.800 0.097 0.000 2.525 271 G HA2 -0.300 3.662 3.960 0.003 0.000 0.248 271 G HA3 -0.300 3.662 3.960 0.003 0.000 0.248 271 G C 0.715 175.686 174.900 0.118 0.000 1.238 271 G CA 0.046 45.223 45.100 0.129 0.000 0.926 271 G HN 0.169 nan 8.290 nan 0.000 0.574 272 L N -0.404 120.895 121.223 0.127 0.000 2.095 272 L HA 0.054 4.396 4.340 0.003 0.000 0.204 272 L C 3.076 179.997 176.870 0.085 0.000 1.080 272 L CA 1.047 55.936 54.840 0.082 0.000 0.759 272 L CB -0.572 41.512 42.059 0.042 0.000 0.914 272 L HN 0.506 nan 8.230 nan 0.000 0.439 273 I N 0.383 121.007 120.570 0.090 0.000 2.099 273 I HA -0.157 4.015 4.170 0.003 0.000 0.239 273 I C -0.283 175.870 176.117 0.059 0.000 1.066 273 I CA 1.714 63.054 61.300 0.066 0.000 1.324 273 I CB -1.701 36.331 38.000 0.054 0.000 1.037 273 I HN 0.077 nan 8.210 nan 0.000 0.401 274 P HA -0.216 nan 4.420 nan 0.000 0.216 274 P C 2.170 179.515 177.300 0.075 0.000 1.153 274 P CA 1.627 64.762 63.100 0.058 0.000 0.858 274 P CB -0.207 31.528 31.700 0.057 0.000 0.789 275 M N -1.172 118.484 119.600 0.092 0.000 2.117 275 M HA -0.162 4.320 4.480 0.003 0.000 0.262 275 M C 1.955 178.375 176.300 0.200 0.000 1.065 275 M CA 1.947 57.324 55.300 0.128 0.000 1.114 275 M CB -0.624 32.051 32.600 0.125 0.000 1.361 275 M HN -0.144 nan 8.290 nan 0.000 0.408 276 I N -0.220 120.437 120.570 0.144 0.000 2.286 276 I HA -0.331 3.841 4.170 0.003 0.000 0.248 276 I C 2.469 178.666 176.117 0.135 0.000 1.115 276 I CA 1.232 62.617 61.300 0.142 0.000 1.392 276 I CB -0.414 37.625 38.000 0.064 0.000 1.065 276 I HN 0.347 nan 8.210 nan 0.000 0.418 277 R N 0.064 120.611 120.500 0.079 0.000 2.105 277 R HA -0.143 4.199 4.340 0.003 0.000 0.239 277 R C 2.290 178.620 176.300 0.049 0.000 1.135 277 R CA 1.317 57.444 56.100 0.045 0.000 0.967 277 R CB -0.373 29.941 30.300 0.023 0.000 0.861 277 R HN 0.233 nan 8.270 nan 0.000 0.442 278 V N 0.384 120.331 119.914 0.055 0.000 2.287 278 V HA -0.258 3.864 4.120 0.003 0.000 0.248 278 V C 1.924 177.973 176.094 -0.074 0.000 1.053 278 V CA 1.820 64.096 62.300 -0.040 0.000 1.027 278 V CB -0.525 31.215 31.823 -0.138 0.000 0.646 278 V HN 0.184 nan 8.190 nan 0.000 0.447 279 F N 0.605 120.559 119.950 0.007 0.000 2.146 279 F HA -0.156 4.373 4.527 0.004 0.000 0.298 279 F C 2.327 178.148 175.800 0.035 0.000 1.096 279 F CA 2.125 60.188 58.000 0.105 0.000 1.275 279 F CB -0.580 38.525 39.000 0.175 0.000 1.008 279 F HN 0.203 nan 8.300 nan 0.000 0.480 280 N N 0.273 119.050 118.700 0.129 0.000 2.043 280 N HA -0.258 4.484 4.740 0.003 0.000 0.193 280 N C 1.973 177.450 175.510 -0.055 0.000 1.037 280 N CA 1.480 54.513 53.050 -0.029 0.000 0.851 280 N CB -0.339 38.127 38.487 -0.036 0.000 1.027 280 N HN 0.067 nan 8.380 nan 0.000 0.422 281 N N -0.366 118.322 118.700 -0.020 0.000 2.061 281 N HA -0.157 4.585 4.740 0.003 0.000 0.193 281 N C 1.223 176.742 175.510 0.016 0.000 1.030 281 N CA 1.778 54.821 53.050 -0.012 0.000 0.856 281 N CB -0.492 37.983 38.487 -0.020 0.000 1.023 281 N HN 0.298 nan 8.380 nan 0.000 0.424 282 T N 0.707 115.269 114.554 0.012 0.000 2.788 282 T HA -0.037 4.315 4.350 0.003 0.000 0.268 282 T C 1.823 176.590 174.700 0.113 0.000 1.044 282 T CA 1.355 63.509 62.100 0.089 0.000 1.139 282 T CB -0.383 68.516 68.868 0.052 0.000 0.867 282 T HN 0.458 nan 8.240 nan 0.000 0.454 283 A N 1.444 124.222 122.820 -0.069 0.000 2.067 283 A HA -0.065 4.257 4.320 0.003 0.000 0.219 283 A C 2.293 179.813 177.584 -0.107 0.000 1.158 283 A CA 1.036 52.907 52.037 -0.277 0.000 0.661 283 A CB -0.322 18.196 19.000 -0.804 0.000 0.801 283 A HN 0.449 nan 8.150 nan 0.000 0.452 284 R N -2.630 117.849 120.500 -0.035 0.000 2.210 284 R HA 0.030 4.372 4.340 0.003 0.000 0.203 284 R C 1.900 178.236 176.300 0.060 0.000 1.010 284 R CA 1.102 57.203 56.100 0.003 0.000 1.008 284 R CB -0.257 30.045 30.300 0.004 0.000 0.923 284 R HN 0.684 nan 8.270 nan 0.000 0.469 285 Y N 1.128 121.413 120.300 -0.024 0.000 2.347 285 Y HA 0.093 4.645 4.550 0.003 0.000 0.294 285 Y C 0.479 176.381 175.900 0.004 0.000 1.117 285 Y CA 0.355 58.450 58.100 -0.009 0.000 1.184 285 Y CB 0.685 39.141 38.460 -0.007 0.000 1.047 285 Y HN -0.336 nan 8.280 nan 0.000 0.546 286 V N 3.793 123.650 119.914 -0.095 0.000 2.320 286 V HA 0.130 4.252 4.120 0.003 0.000 0.265 286 V C -0.561 175.482 176.094 -0.085 0.000 1.048 286 V CA -1.218 60.986 62.300 -0.160 0.000 0.865 286 V CB 0.008 31.839 31.823 0.014 0.000 1.043 286 V HN 0.142 nan 8.190 nan 0.000 0.474 287 D N 3.301 123.621 120.400 -0.132 0.000 2.474 287 D HA -0.050 4.592 4.640 0.003 0.000 0.232 287 D C 0.452 176.733 176.300 -0.032 0.000 1.177 287 D CA 0.635 54.590 54.000 -0.076 0.000 0.876 287 D CB 0.779 41.520 40.800 -0.100 0.000 1.208 287 D HN 0.533 nan 8.370 nan 0.000 0.464 288 Q N 0.665 120.460 119.800 -0.008 0.000 2.673 288 Q HA 0.372 4.714 4.340 0.003 0.000 0.224 288 Q C 0.759 176.746 176.000 -0.022 0.000 1.226 288 Q CA -0.152 55.664 55.803 0.023 0.000 1.019 288 Q CB 0.272 29.056 28.738 0.076 0.000 1.312 288 Q HN 0.727 nan 8.270 nan 0.000 0.566 289 G N 2.034 110.812 108.800 -0.037 0.000 4.315 289 G HA2 -0.258 3.704 3.960 0.003 0.000 0.280 289 G HA3 -0.258 3.704 3.960 0.003 0.000 0.280 289 G C 0.137 174.978 174.900 -0.097 0.000 1.649 289 G CA -0.399 44.650 45.100 -0.086 0.000 1.108 289 G HN 0.837 nan 8.290 nan 0.000 0.667 290 G N 0.214 108.943 108.800 -0.119 0.000 2.182 290 G HA2 0.570 4.532 3.960 0.003 0.000 0.293 290 G HA3 0.570 4.532 3.960 0.003 0.000 0.293 290 G C -1.193 173.642 174.900 -0.109 0.000 1.409 290 G CA 0.413 45.450 45.100 -0.106 0.000 1.153 290 G HN 0.667 nan 8.290 nan 0.000 0.586 291 N N 0.289 118.937 118.700 -0.086 0.000 2.831 291 N HA 0.477 5.219 4.740 0.003 0.000 0.276 291 N C 0.185 175.666 175.510 -0.048 0.000 1.416 291 N CA -0.685 52.318 53.050 -0.078 0.000 0.799 291 N CB 2.452 40.895 38.487 -0.073 0.000 1.554 291 N HN 0.241 nan 8.380 nan 0.000 0.541 292 K N 0.280 120.658 120.400 -0.037 0.000 2.373 292 K HA 0.130 4.452 4.320 0.003 0.000 0.200 292 K C 0.003 176.612 176.600 0.015 0.000 1.054 292 K CA 0.125 56.405 56.287 -0.012 0.000 1.065 292 K CB 0.814 33.305 32.500 -0.015 0.000 0.886 292 K HN 0.439 nan 8.250 nan 0.000 0.546 293 R N 1.801 122.316 120.500 0.025 0.000 2.230 293 R HA 0.215 4.557 4.340 0.003 0.000 0.337 293 R C -2.219 174.118 176.300 0.062 0.000 1.063 293 R CA -1.236 54.900 56.100 0.061 0.000 0.935 293 R CB 0.370 30.721 30.300 0.086 0.000 1.121 293 R HN -0.197 nan 8.270 nan 0.000 0.486 294 P HA -0.066 nan 4.420 nan 0.000 0.204 294 P C 1.098 178.416 177.300 0.030 0.000 1.012 294 P CA 1.035 64.156 63.100 0.035 0.000 0.835 294 P CB -0.182 31.537 31.700 0.032 0.000 0.603 295 G N -1.273 107.541 108.800 0.022 0.000 2.751 295 G HA2 0.297 4.259 3.960 0.003 0.000 0.187 295 G HA3 0.297 4.259 3.960 0.003 0.000 0.187 295 G C -0.166 174.738 174.900 0.007 0.000 1.733 295 G CA 0.880 45.947 45.100 -0.055 0.000 0.898 295 G HN 0.711 nan 8.290 nan 0.000 0.408 296 A N -1.734 121.141 122.820 0.091 0.000 3.480 296 A HA -0.002 4.320 4.320 0.003 0.000 0.257 296 A C -0.164 177.669 177.584 0.415 0.000 1.298 296 A CA 0.083 52.307 52.037 0.312 0.000 0.755 296 A CB -2.393 16.781 19.000 0.291 0.000 1.018 296 A HN 0.609 nan 8.150 nan 0.000 0.453 297 F N -0.191 119.924 119.950 0.275 0.000 2.469 297 F HA 0.689 5.218 4.527 0.003 0.000 0.332 297 F C 0.841 176.819 175.800 0.296 0.000 1.103 297 F CA -0.604 57.533 58.000 0.230 0.000 0.979 297 F CB 2.019 41.111 39.000 0.153 0.000 1.137 297 F HN 0.665 nan 8.300 nan 0.000 0.463 298 A N 4.397 127.497 122.820 0.466 0.000 2.290 298 A HA 0.733 5.055 4.320 0.003 0.000 0.310 298 A C -0.843 176.901 177.584 0.266 0.000 1.202 298 A CA -0.598 51.664 52.037 0.376 0.000 0.837 298 A CB 0.557 19.817 19.000 0.433 0.000 1.139 298 A HN 0.812 nan 8.150 nan 0.000 0.509 299 L N 2.505 123.800 121.223 0.120 0.000 2.287 299 L HA 0.374 4.716 4.340 0.003 0.000 0.287 299 L C -1.240 175.652 176.870 0.037 0.000 1.022 299 L CA -0.473 54.430 54.840 0.105 0.000 0.814 299 L CB 0.926 43.070 42.059 0.142 0.000 1.217 299 L HN 0.671 nan 8.230 nan 0.000 0.420 300 Y N 4.292 124.547 120.300 -0.075 0.000 2.335 300 Y HA 0.524 5.076 4.550 0.003 0.000 0.339 300 Y C -0.080 175.602 175.900 -0.363 0.000 0.987 300 Y CA -0.218 57.801 58.100 -0.134 0.000 1.140 300 Y CB 1.363 39.682 38.460 -0.235 0.000 1.173 300 Y HN 0.394 nan 8.280 nan 0.000 0.486 301 L N 3.673 124.736 121.223 -0.266 0.000 2.401 301 L HA 0.463 4.805 4.340 0.003 0.000 0.266 301 L C -0.744 176.056 176.870 -0.116 0.000 0.991 301 L CA -0.855 53.715 54.840 -0.450 0.000 0.818 301 L CB 2.206 43.489 42.059 -1.293 0.000 1.321 301 L HN 0.617 nan 8.230 nan 0.000 0.413 302 E N 4.736 124.886 120.200 -0.084 0.000 2.289 302 E HA 0.160 4.512 4.350 0.003 0.000 0.278 302 E C -1.669 174.605 176.600 -0.545 0.000 1.032 302 E CA -1.667 54.515 56.400 -0.363 0.000 0.854 302 E CB 1.198 30.527 29.700 -0.619 0.000 1.046 302 E HN 0.375 nan 8.360 nan 0.000 0.409 303 P HA -0.174 nan 4.420 nan 0.000 0.226 303 P C 0.873 178.289 177.300 0.193 0.000 1.146 303 P CA 1.107 64.039 63.100 -0.279 0.000 0.773 303 P CB -0.110 31.108 31.700 -0.803 0.000 0.772 304 W N -1.004 120.595 121.300 0.499 0.000 2.800 304 W HA 0.046 4.708 4.660 0.003 0.000 0.249 304 W C 0.657 177.356 176.519 0.301 0.000 1.294 304 W CA -0.414 57.195 57.345 0.441 0.000 1.402 304 W CB -1.881 27.893 29.460 0.524 0.000 1.126 304 W HN -0.000 nan 8.180 nan 0.000 0.652 305 H N 1.889 120.924 119.070 -0.058 0.000 3.034 305 H HA 0.125 4.683 4.556 0.003 0.000 0.324 305 H C 1.395 176.824 175.328 0.170 0.000 1.015 305 H CA 1.161 57.236 56.048 0.045 0.000 1.429 305 H CB 1.717 31.311 29.762 -0.280 0.000 1.429 305 H HN 0.111 nan 8.280 nan 0.000 0.585 306 A N 4.307 127.085 122.820 -0.070 0.000 2.070 306 A HA -0.148 4.174 4.320 0.003 0.000 0.220 306 A C 1.517 179.222 177.584 0.202 0.000 1.159 306 A CA 1.499 53.574 52.037 0.064 0.000 0.656 306 A CB 0.070 19.060 19.000 -0.016 0.000 0.800 306 A HN 0.718 nan 8.150 nan 0.000 0.453 307 D N -0.997 119.622 120.400 0.364 0.000 2.342 307 D HA 0.110 4.752 4.640 0.003 0.000 0.221 307 D C 1.226 177.705 176.300 0.299 0.000 1.101 307 D CA -0.129 54.074 54.000 0.338 0.000 0.837 307 D CB 0.191 41.198 40.800 0.345 0.000 0.938 307 D HN 0.384 nan 8.370 nan 0.000 0.508 308 I N -0.112 120.613 120.570 0.259 0.000 2.286 308 I HA -0.238 3.934 4.170 0.003 0.000 0.248 308 I C 1.664 177.850 176.117 0.115 0.000 1.115 308 I CA 1.212 62.590 61.300 0.130 0.000 1.392 308 I CB -0.135 37.860 38.000 -0.007 0.000 1.065 308 I HN -0.130 nan 8.210 nan 0.000 0.418 309 F N 0.826 120.864 119.950 0.146 0.000 2.075 309 F HA -0.252 4.276 4.527 0.002 0.000 0.297 309 F C 2.379 178.224 175.800 0.075 0.000 1.113 309 F CA 2.004 60.069 58.000 0.108 0.000 1.218 309 F CB -0.676 38.383 39.000 0.099 0.000 0.984 309 F HN 0.110 nan 8.300 nan 0.000 0.472 310 D N -0.508 120.052 120.400 0.268 0.000 2.117 310 D HA -0.203 4.439 4.640 0.003 0.000 0.197 310 D C 2.046 178.385 176.300 0.066 0.000 0.987 310 D CA 1.023 55.104 54.000 0.135 0.000 0.829 310 D CB -0.745 40.129 40.800 0.122 0.000 0.961 310 D HN 0.229 nan 8.370 nan 0.000 0.460 311 F N 2.115 122.054 119.950 -0.019 0.000 2.126 311 F HA -0.185 4.344 4.527 0.003 0.000 0.299 311 F C 2.096 177.815 175.800 -0.134 0.000 1.096 311 F CA 1.299 59.245 58.000 -0.089 0.000 1.255 311 F CB -0.351 38.579 39.000 -0.115 0.000 0.997 311 F HN -0.034 nan 8.300 nan 0.000 0.479 312 I N -2.375 118.106 120.570 -0.148 0.000 3.001 312 I HA -0.086 4.086 4.170 0.003 0.000 0.268 312 I C 0.812 176.756 176.117 -0.287 0.000 1.267 312 I CA 1.214 62.353 61.300 -0.268 0.000 1.472 312 I CB -0.645 37.278 38.000 -0.127 0.000 1.089 312 I HN 0.000 nan 8.210 nan 0.000 0.468 313 D N 0.896 121.165 120.400 -0.217 0.000 2.363 313 D HA 0.166 4.808 4.640 0.003 0.000 0.214 313 D C 1.837 178.005 176.300 -0.221 0.000 1.093 313 D CA 0.136 54.032 54.000 -0.173 0.000 0.837 313 D CB 0.495 41.243 40.800 -0.087 0.000 0.948 313 D HN 0.315 nan 8.370 nan 0.000 0.507 314 I N 0.845 121.226 120.570 -0.314 0.000 2.502 314 I HA -0.220 3.952 4.170 0.003 0.000 0.258 314 I C 1.791 177.742 176.117 -0.278 0.000 1.172 314 I CA 1.320 62.433 61.300 -0.312 0.000 1.430 314 I CB 0.144 37.874 38.000 -0.449 0.000 1.086 314 I HN -0.151 nan 8.210 nan 0.000 0.440 315 R N -0.408 119.925 120.500 -0.279 0.000 2.468 315 R HA 0.163 4.505 4.340 0.003 0.000 0.280 315 R C 0.433 176.645 176.300 -0.146 0.000 0.963 315 R CA -0.167 55.790 56.100 -0.239 0.000 1.083 315 R CB 0.259 30.389 30.300 -0.283 0.000 1.200 315 R HN 0.221 nan 8.270 nan 0.000 0.541 316 K N 0.896 121.214 120.400 -0.136 0.000 2.180 316 K HA 0.040 4.362 4.320 0.003 0.000 0.251 316 K C 0.403 176.983 176.600 -0.033 0.000 1.014 316 K CA 0.032 56.274 56.287 -0.076 0.000 0.913 316 K CB 0.452 32.836 32.500 -0.193 0.000 1.008 316 K HN -0.161 nan 8.250 nan 0.000 0.490 317 N N 0.871 119.675 118.700 0.172 0.000 2.480 317 N HA 0.043 4.785 4.740 0.003 0.000 0.281 317 N C -0.569 175.134 175.510 0.320 0.000 1.381 317 N CA 0.012 53.173 53.050 0.185 0.000 0.903 317 N CB 0.152 38.713 38.487 0.123 0.000 1.274 317 N HN 0.671 nan 8.380 nan 0.000 0.505 318 H N -4.102 114.953 119.070 -0.025 0.000 3.845 318 H HA 0.232 4.790 4.556 0.003 0.000 0.115 318 H C 1.553 176.873 175.328 -0.014 0.000 1.246 318 H CA 0.292 56.331 56.048 -0.016 0.000 1.107 318 H CB -0.727 29.029 29.762 -0.010 0.000 0.926 318 H HN 0.001 nan 8.280 nan 0.000 0.195 319 G N 2.335 110.914 108.800 -0.367 0.000 3.898 319 G HA2 -0.393 3.569 3.960 0.003 0.000 0.267 319 G HA3 -0.393 3.569 3.960 0.003 0.000 0.267 319 G C 1.042 175.893 174.900 -0.082 0.000 0.909 319 G CA 2.760 47.732 45.100 -0.213 0.000 0.790 319 G HN 0.544 nan 8.290 nan 0.000 1.411 320 K N -1.984 118.367 120.400 -0.082 0.000 3.690 320 K HA 0.593 4.915 4.320 0.003 0.000 0.291 320 K C 1.609 178.184 176.600 -0.043 0.000 0.984 320 K CA 0.220 56.480 56.287 -0.044 0.000 1.581 320 K CB 0.694 33.175 32.500 -0.031 0.000 3.336 320 K HN 0.362 nan 8.250 nan 0.000 0.998 321 E N -0.562 119.616 120.200 -0.038 0.000 2.895 321 E HA -0.056 4.296 4.350 0.003 0.000 0.254 321 E C 0.906 177.484 176.600 -0.035 0.000 1.139 321 E CA 0.245 56.623 56.400 -0.036 0.000 1.832 321 E CB 0.452 30.138 29.700 -0.023 0.000 2.683 321 E HN 0.414 nan 8.360 nan 0.000 1.040 322 E N 1.128 121.313 120.200 -0.024 0.000 2.472 322 E HA -0.032 4.320 4.350 0.003 0.000 0.200 322 E C 1.415 178.006 176.600 -0.016 0.000 1.046 322 E CA 0.796 57.186 56.400 -0.016 0.000 0.871 322 E CB -0.002 29.694 29.700 -0.007 0.000 0.806 322 E HN 0.279 nan 8.360 nan 0.000 0.533 323 I N 0.530 121.084 120.570 -0.028 0.000 3.783 323 I HA 0.036 4.208 4.170 0.003 0.000 0.310 323 I C 0.844 176.927 176.117 -0.056 0.000 1.274 323 I CA -0.108 61.174 61.300 -0.030 0.000 1.294 323 I CB 0.253 38.236 38.000 -0.028 0.000 1.051 323 I HN -0.026 nan 8.210 nan 0.000 0.435 324 R N 1.417 121.874 120.500 -0.071 0.000 2.607 324 R HA 0.742 5.084 4.340 0.003 0.000 0.261 324 R C -0.414 175.828 176.300 -0.098 0.000 1.051 324 R CA -0.507 55.532 56.100 -0.102 0.000 1.110 324 R CB 1.160 31.395 30.300 -0.108 0.000 1.158 324 R HN -0.035 nan 8.270 nan 0.000 0.543 325 A N 1.576 124.314 122.820 -0.137 0.000 2.876 325 A HA 0.293 4.615 4.320 0.003 0.000 0.309 325 A C 0.291 177.757 177.584 -0.198 0.000 1.168 325 A CA -0.574 51.381 52.037 -0.137 0.000 0.762 325 A CB 0.632 19.559 19.000 -0.123 0.000 1.262 325 A HN 0.679 nan 8.150 nan 0.000 0.435 326 R N 0.382 120.777 120.500 -0.176 0.000 2.320 326 R HA 0.050 4.392 4.340 0.003 0.000 0.211 326 R C -0.570 175.572 176.300 -0.263 0.000 0.931 326 R CA 0.736 56.710 56.100 -0.211 0.000 1.071 326 R CB 0.257 30.473 30.300 -0.140 0.000 1.025 326 R HN 0.675 nan 8.270 nan 0.000 0.495 327 D N -0.361 119.883 120.400 -0.259 0.000 2.501 327 D HA 0.171 4.813 4.640 0.003 0.000 0.224 327 D C -0.468 175.646 176.300 -0.309 0.000 1.202 327 D CA 0.096 53.942 54.000 -0.256 0.000 0.829 327 D CB 0.660 41.365 40.800 -0.158 0.000 1.023 327 D HN -0.025 nan 8.370 nan 0.000 0.499 328 L N -0.440 120.532 121.223 -0.418 0.000 2.309 328 L HA 0.593 4.935 4.340 0.003 0.000 0.261 328 L C -0.943 175.547 176.870 -0.632 0.000 1.021 328 L CA -1.182 53.485 54.840 -0.289 0.000 0.823 328 L CB 1.610 43.591 42.059 -0.131 0.000 1.366 328 L HN -0.193 nan 8.230 nan 0.000 0.423 329 F N 1.479 121.334 119.950 -0.158 0.000 2.477 329 F HA 0.434 4.962 4.527 0.003 0.000 0.335 329 F C -2.224 173.292 175.800 -0.474 0.000 1.130 329 F CA -2.154 55.628 58.000 -0.362 0.000 0.948 329 F CB 1.564 40.389 39.000 -0.291 0.000 1.154 329 F HN 0.119 nan 8.300 nan 0.000 0.439 330 P HA 0.347 nan 4.420 nan 0.000 0.281 330 P C -1.167 175.821 177.300 -0.521 0.000 1.252 330 P CA -0.104 62.626 63.100 -0.618 0.000 0.778 330 P CB 1.621 32.706 31.700 -1.025 0.000 0.895 331 A N 4.442 127.074 122.820 -0.313 0.000 2.371 331 A HA 0.624 4.946 4.320 0.003 0.000 0.311 331 A C -0.622 176.839 177.584 -0.204 0.000 1.068 331 A CA -0.878 50.892 52.037 -0.445 0.000 0.744 331 A CB 0.951 19.330 19.000 -1.035 0.000 1.239 331 A HN 0.475 nan 8.150 nan 0.000 0.435 332 L N 2.107 123.277 121.223 -0.088 0.000 2.276 332 L HA 0.270 4.612 4.340 0.003 0.000 0.286 332 L C -0.227 176.735 176.870 0.153 0.000 1.061 332 L CA -0.160 54.673 54.840 -0.011 0.000 0.807 332 L CB 1.110 43.111 42.059 -0.097 0.000 1.177 332 L HN 0.817 nan 8.230 nan 0.000 0.429 333 W N 6.795 128.068 121.300 -0.046 0.000 2.120 333 W HA 0.415 5.077 4.660 0.004 0.000 0.371 333 W C -0.871 175.583 176.519 -0.107 0.000 0.865 333 W CA -0.753 56.598 57.345 0.010 0.000 1.529 333 W CB 0.632 30.165 29.460 0.121 0.000 1.623 333 W HN 0.413 nan 8.180 nan 0.000 0.325 334 I N 8.086 128.536 120.570 -0.199 0.000 2.325 334 I HA 0.163 4.335 4.170 0.003 0.000 0.291 334 I C -1.607 174.387 176.117 -0.206 0.000 1.019 334 I CA -1.981 59.209 61.300 -0.183 0.000 1.302 334 I CB 1.199 39.144 38.000 -0.093 0.000 1.401 334 I HN 0.079 nan 8.210 nan 0.000 0.485 335 P HA 0.134 nan 4.420 nan 0.000 0.277 335 P C -0.274 176.974 177.300 -0.086 0.000 1.240 335 P CA -0.299 62.656 63.100 -0.242 0.000 0.798 335 P CB 1.171 32.587 31.700 -0.474 0.000 0.979 336 D N 1.178 121.579 120.400 0.001 0.000 2.149 336 D HA -0.166 4.476 4.640 0.003 0.000 0.194 336 D C 1.817 178.124 176.300 0.012 0.000 1.001 336 D CA 1.097 55.157 54.000 0.100 0.000 0.849 336 D CB -0.421 40.577 40.800 0.330 0.000 0.939 336 D HN 0.324 nan 8.370 nan 0.000 0.449 337 L N -0.057 121.257 121.223 0.153 0.000 2.081 337 L HA -0.215 4.127 4.340 0.003 0.000 0.212 337 L C 2.264 179.162 176.870 0.047 0.000 1.080 337 L CA 1.143 56.111 54.840 0.214 0.000 0.754 337 L CB -0.273 42.041 42.059 0.425 0.000 0.893 337 L HN -0.011 nan 8.230 nan 0.000 0.433 338 F N 0.249 120.002 119.950 -0.330 0.000 2.146 338 F HA -0.241 4.289 4.527 0.005 0.000 0.298 338 F C 2.419 177.832 175.800 -0.645 0.000 1.096 338 F CA 1.425 58.909 58.000 -0.860 0.000 1.275 338 F CB -0.175 38.261 39.000 -0.940 0.000 1.008 338 F HN 0.013 nan 8.300 nan 0.000 0.480 339 M N 0.189 119.270 119.600 -0.865 0.000 2.229 339 M HA -0.142 4.340 4.480 0.003 0.000 0.264 339 M C 2.032 177.945 176.300 -0.645 0.000 1.063 339 M CA 1.334 55.907 55.300 -1.212 0.000 1.114 339 M CB -1.100 30.100 32.600 -2.333 0.000 1.387 339 M HN 0.152 nan 8.290 nan 0.000 0.420 340 K N -0.196 120.001 120.400 -0.338 0.000 2.002 340 K HA -0.113 4.209 4.320 0.003 0.000 0.209 340 K C 2.166 178.732 176.600 -0.058 0.000 1.048 340 K CA 1.010 57.297 56.287 -0.001 0.000 0.930 340 K CB -0.111 32.463 32.500 0.122 0.000 0.714 340 K HN 0.198 nan 8.250 nan 0.000 0.438 341 R N 0.696 121.134 120.500 -0.104 0.000 2.096 341 R HA -0.090 4.252 4.340 0.003 0.000 0.235 341 R C 2.344 178.543 176.300 -0.167 0.000 1.127 341 R CA 0.955 57.030 56.100 -0.041 0.000 0.968 341 R CB -0.937 29.447 30.300 0.140 0.000 0.861 341 R HN 0.089 nan 8.270 nan 0.000 0.440 342 V N 1.296 120.962 119.914 -0.414 0.000 2.255 342 V HA -0.265 3.857 4.120 0.003 0.000 0.247 342 V C 2.459 178.362 176.094 -0.318 0.000 1.051 342 V CA 2.077 64.116 62.300 -0.436 0.000 1.018 342 V CB -0.523 30.855 31.823 -0.743 0.000 0.641 342 V HN 0.379 nan 8.190 nan 0.000 0.445 343 E N 0.361 120.407 120.200 -0.256 0.000 2.013 343 E HA -0.288 4.064 4.350 0.003 0.000 0.202 343 E C 2.157 178.656 176.600 -0.169 0.000 1.018 343 E CA 1.884 58.107 56.400 -0.297 0.000 0.834 343 E CB -0.238 29.404 29.700 -0.096 0.000 0.770 343 E HN 0.676 nan 8.360 nan 0.000 0.459 344 E N 0.578 120.732 120.200 -0.076 0.000 2.339 344 E HA -0.239 4.113 4.350 0.003 0.000 0.201 344 E C 0.263 176.843 176.600 -0.034 0.000 1.015 344 E CA 0.560 56.941 56.400 -0.032 0.000 0.841 344 E CB -0.339 29.369 29.700 0.014 0.000 0.754 344 E HN 0.287 nan 8.360 nan 0.000 0.508 345 N N 0.226 118.888 118.700 -0.063 0.000 2.641 345 N HA -0.143 4.599 4.740 0.003 0.000 0.267 345 N C -0.599 174.927 175.510 0.025 0.000 1.087 345 N CA 0.862 53.895 53.050 -0.028 0.000 0.731 345 N CB -1.068 37.404 38.487 -0.024 0.000 0.886 345 N HN 0.276 nan 8.380 nan 0.000 0.547 346 G N -0.338 108.494 108.800 0.054 0.000 3.217 346 G HA2 0.689 4.651 3.960 0.003 0.000 0.213 346 G HA3 0.689 4.651 3.960 0.003 0.000 0.213 346 G C -0.270 174.731 174.900 0.169 0.000 1.294 346 G CA 0.248 45.410 45.100 0.104 0.000 0.987 346 G HN 0.583 nan 8.290 nan 0.000 0.584 347 T N -2.453 112.226 114.554 0.209 0.000 2.918 347 T HA 0.549 4.901 4.350 0.003 0.000 0.283 347 T C -0.853 174.123 174.700 0.460 0.000 1.001 347 T CA -0.617 61.643 62.100 0.268 0.000 1.041 347 T CB 1.926 70.905 68.868 0.185 0.000 1.028 347 T HN 0.554 nan 8.240 nan 0.000 0.511 348 W N 1.312 122.749 121.300 0.229 0.000 2.998 348 W HA 0.443 5.104 4.660 0.002 0.000 0.335 348 W C -1.575 175.097 176.519 0.255 0.000 1.110 348 W CA -0.873 56.670 57.345 0.329 0.000 1.230 348 W CB 2.473 32.191 29.460 0.430 0.000 1.405 348 W HN 0.727 nan 8.180 nan 0.000 0.493 349 T N 6.164 120.470 114.554 -0.414 0.000 2.792 349 T HA 0.459 4.811 4.350 0.003 0.000 0.280 349 T C -0.242 174.007 174.700 -0.752 0.000 0.990 349 T CA -0.504 61.262 62.100 -0.557 0.000 0.960 349 T CB 1.159 69.630 68.868 -0.662 0.000 0.939 349 T HN 0.217 nan 8.240 nan 0.000 0.439 350 L N 4.217 125.128 121.223 -0.520 0.000 2.264 350 L HA 0.575 4.917 4.340 0.003 0.000 0.289 350 L C -0.807 175.790 176.870 -0.455 0.000 1.044 350 L CA -0.714 53.966 54.840 -0.266 0.000 0.807 350 L CB 0.337 42.406 42.059 0.017 0.000 1.192 350 L HN 0.548 nan 8.230 nan 0.000 0.425 351 F N 0.517 120.500 119.950 0.056 0.000 2.492 351 F HA 0.375 4.904 4.527 0.003 0.000 0.327 351 F C 0.802 176.599 175.800 -0.006 0.000 1.079 351 F CA -0.679 57.296 58.000 -0.042 0.000 0.967 351 F CB 1.903 40.791 39.000 -0.188 0.000 1.169 351 F HN 0.358 nan 8.300 nan 0.000 0.472 352 S N 3.386 119.151 115.700 0.109 0.000 2.549 352 S HA 0.188 4.660 4.470 0.003 0.000 0.279 352 S C -1.346 173.315 174.600 0.102 0.000 1.321 352 S CA -1.376 56.839 58.200 0.026 0.000 1.054 352 S CB 0.806 64.022 63.200 0.027 0.000 0.899 352 S HN 0.417 nan 8.310 nan 0.000 0.497 353 P HA -0.117 nan 4.420 nan 0.000 0.220 353 P C 1.312 178.646 177.300 0.056 0.000 1.144 353 P CA 1.444 64.666 63.100 0.204 0.000 0.800 353 P CB -0.519 31.398 31.700 0.361 0.000 0.772 354 T N -4.059 110.524 114.554 0.049 0.000 3.014 354 T HA 0.039 4.391 4.350 0.003 0.000 0.263 354 T C 1.819 176.480 174.700 -0.064 0.000 1.078 354 T CA 0.805 62.913 62.100 0.012 0.000 1.135 354 T CB -0.964 67.938 68.868 0.057 0.000 0.895 354 T HN 0.015 nan 8.240 nan 0.000 0.480 355 S N 1.561 117.211 115.700 -0.083 0.000 2.527 355 S HA 0.518 4.990 4.470 0.003 0.000 0.222 355 S C 1.147 175.500 174.600 -0.412 0.000 0.985 355 S CA 0.245 58.349 58.200 -0.160 0.000 0.921 355 S CB 0.029 63.187 63.200 -0.071 0.000 0.772 355 S HN 0.798 nan 8.310 nan 0.000 0.529 356 A N 2.214 124.730 122.820 -0.506 0.000 3.453 356 A HA 0.452 4.774 4.320 0.003 0.000 0.262 356 A C -3.018 174.215 177.584 -0.584 0.000 1.026 356 A CA -1.210 50.173 52.037 -1.091 0.000 0.938 356 A CB 0.407 18.602 19.000 -1.342 0.000 1.246 356 A HN 0.110 nan 8.150 nan 0.000 0.546 357 P HA 0.359 nan 4.420 nan 0.000 0.271 357 P C 0.972 178.317 177.300 0.074 0.000 1.218 357 P CA 1.692 64.768 63.100 -0.040 0.000 0.780 357 P CB 1.182 32.881 31.700 -0.003 0.000 0.901 358 G N 1.324 110.178 108.800 0.091 0.000 2.176 358 G HA2 -0.246 3.716 3.960 0.003 0.000 0.232 358 G HA3 -0.246 3.716 3.960 0.003 0.000 0.232 358 G C 0.680 175.657 174.900 0.129 0.000 0.986 358 G CA -0.040 45.127 45.100 0.112 0.000 0.643 358 G HN 0.422 nan 8.290 nan 0.000 0.522 359 L N 2.051 123.323 121.223 0.082 0.000 2.083 359 L HA 0.044 4.386 4.340 0.003 0.000 0.209 359 L C 2.910 180.038 176.870 0.431 0.000 1.083 359 L CA 2.920 57.846 54.840 0.143 0.000 0.752 359 L CB -0.974 40.817 42.059 -0.446 0.000 0.899 359 L HN 0.737 nan 8.230 nan 0.000 0.433 360 S N -2.951 113.000 115.700 0.418 0.000 2.558 360 S HA -0.010 4.462 4.470 0.003 0.000 0.217 360 S C 1.210 175.949 174.600 0.232 0.000 0.975 360 S CA 0.256 58.642 58.200 0.310 0.000 0.912 360 S CB -0.081 63.258 63.200 0.233 0.000 0.776 360 S HN 0.341 nan 8.310 nan 0.000 0.526 361 D N 1.247 121.786 120.400 0.232 0.000 2.525 361 D HA 0.278 4.920 4.640 0.003 0.000 0.229 361 D C 0.111 176.538 176.300 0.212 0.000 1.202 361 D CA -0.199 53.924 54.000 0.204 0.000 0.828 361 D CB 0.321 41.225 40.800 0.173 0.000 1.008 361 D HN 0.632 nan 8.370 nan 0.000 0.493 362 C N -1.421 118.033 119.300 0.257 0.000 3.320 362 C HA 0.896 5.359 4.460 0.003 0.000 0.335 362 C C -1.180 174.022 174.990 0.353 0.000 1.430 362 C CA -1.224 57.953 59.018 0.265 0.000 1.271 362 C CB 0.513 28.351 27.740 0.163 0.000 1.609 362 C HN 0.258 nan 8.230 nan 0.000 0.457 363 Y N -0.962 119.410 120.300 0.120 0.000 2.788 363 Y HA 0.797 5.349 4.550 0.003 0.000 0.335 363 Y C 0.556 176.511 175.900 0.091 0.000 1.287 363 Y CA 0.068 58.192 58.100 0.040 0.000 1.068 363 Y CB 0.282 38.703 38.460 -0.066 0.000 1.340 363 Y HN 2.491 nan 8.280 nan 0.000 0.449 364 G N 1.263 110.118 108.800 0.091 0.000 2.596 364 G HA2 -0.360 3.602 3.960 0.003 0.000 0.295 364 G HA3 -0.360 3.602 3.960 0.003 0.000 0.295 364 G C 0.185 175.115 174.900 0.051 0.000 1.240 364 G CA 0.993 46.100 45.100 0.012 0.000 0.985 364 G HN 0.865 nan 8.290 nan 0.000 0.555 365 D N 0.283 120.663 120.400 -0.033 0.000 2.117 365 D HA -0.042 4.600 4.640 0.003 0.000 0.197 365 D C 2.102 178.393 176.300 -0.016 0.000 0.987 365 D CA 1.513 55.508 54.000 -0.008 0.000 0.829 365 D CB -0.396 40.378 40.800 -0.044 0.000 0.961 365 D HN 0.647 nan 8.370 nan 0.000 0.460 366 E N -0.250 119.910 120.200 -0.066 0.000 2.058 366 E HA -0.198 4.154 4.350 0.003 0.000 0.194 366 E C 2.046 178.632 176.600 -0.024 0.000 0.997 366 E CA 0.609 56.968 56.400 -0.068 0.000 0.801 366 E CB -0.227 29.411 29.700 -0.103 0.000 0.746 366 E HN 0.278 nan 8.360 nan 0.000 0.450 367 F N 1.859 121.761 119.950 -0.079 0.000 2.095 367 F HA -0.209 4.320 4.527 0.003 0.000 0.298 367 F C 1.981 177.783 175.800 0.002 0.000 1.104 367 F CA 1.940 59.927 58.000 -0.023 0.000 1.232 367 F CB -0.073 38.950 39.000 0.040 0.000 0.987 367 F HN 0.016 nan 8.300 nan 0.000 0.475 368 E N 0.515 120.695 120.200 -0.033 0.000 2.072 368 E HA -0.184 4.168 4.350 0.003 0.000 0.191 368 E C 2.448 178.965 176.600 -0.138 0.000 0.985 368 E CA 0.910 57.255 56.400 -0.092 0.000 0.801 368 E CB -0.488 29.274 29.700 0.103 0.000 0.750 368 E HN 0.541 nan 8.360 nan 0.000 0.452 369 A N 1.730 124.478 122.820 -0.120 0.000 1.849 369 A HA -0.221 4.101 4.320 0.003 0.000 0.217 369 A C 2.215 179.647 177.584 -0.255 0.000 1.202 369 A CA 1.450 53.400 52.037 -0.145 0.000 0.629 369 A CB -0.888 18.038 19.000 -0.123 0.000 0.834 369 A HN 0.239 nan 8.150 nan 0.000 0.447 370 L N -1.742 119.281 121.223 -0.334 0.000 2.081 370 L HA -0.200 4.142 4.340 0.003 0.000 0.212 370 L C 2.272 178.720 176.870 -0.703 0.000 1.080 370 L CA 2.449 56.960 54.840 -0.548 0.000 0.754 370 L CB -0.905 40.863 42.059 -0.485 0.000 0.893 370 L HN 0.567 nan 8.230 nan 0.000 0.433 371 Y N -0.780 119.087 120.300 -0.723 0.000 2.243 371 Y HA -0.159 4.393 4.550 0.002 0.000 0.293 371 Y C 2.433 178.132 175.900 -0.335 0.000 1.124 371 Y CA 1.983 59.687 58.100 -0.660 0.000 1.159 371 Y CB -0.334 37.573 38.460 -0.923 0.000 1.008 371 Y HN 0.121 nan 8.280 nan 0.000 0.527 372 T N 1.026 115.509 114.554 -0.119 0.000 2.746 372 T HA -0.190 4.162 4.350 0.003 0.000 0.267 372 T C 1.978 176.599 174.700 -0.132 0.000 1.039 372 T CA 1.670 63.734 62.100 -0.060 0.000 1.142 372 T CB -0.257 68.601 68.868 -0.016 0.000 0.866 372 T HN 0.334 nan 8.240 nan 0.000 0.444 373 R N -0.306 120.064 120.500 -0.216 0.000 2.066 373 R HA -0.054 4.288 4.340 0.003 0.000 0.232 373 R C 2.142 178.359 176.300 -0.138 0.000 1.131 373 R CA 1.321 57.300 56.100 -0.202 0.000 0.955 373 R CB -0.493 29.635 30.300 -0.286 0.000 0.851 373 R HN 0.520 nan 8.270 nan 0.000 0.432 374 Y N 0.688 120.811 120.300 -0.295 0.000 2.128 374 Y HA -0.280 4.272 4.550 0.003 0.000 0.284 374 Y C 2.590 178.425 175.900 -0.108 0.000 1.154 374 Y CA 1.384 59.290 58.100 -0.323 0.000 1.149 374 Y CB -0.118 37.868 38.460 -0.790 0.000 0.976 374 Y HN 0.355 nan 8.280 nan 0.000 0.505 375 E N 0.810 121.040 120.200 0.050 0.000 2.085 375 E HA -0.248 4.104 4.350 0.003 0.000 0.194 375 E C 2.019 178.615 176.600 -0.006 0.000 0.994 375 E CA 1.357 57.767 56.400 0.017 0.000 0.801 375 E CB -0.021 29.604 29.700 -0.124 0.000 0.743 375 E HN 0.368 nan 8.360 nan 0.000 0.453 376 K N 0.279 120.669 120.400 -0.016 0.000 2.063 376 K HA -0.162 4.160 4.320 0.003 0.000 0.208 376 K C 1.783 178.382 176.600 -0.002 0.000 1.048 376 K CA 1.557 57.836 56.287 -0.012 0.000 0.928 376 K CB -0.015 32.472 32.500 -0.022 0.000 0.713 376 K HN 0.177 nan 8.250 nan 0.000 0.442 377 E N -0.603 119.605 120.200 0.014 0.000 2.516 377 E HA -0.044 4.308 4.350 0.003 0.000 0.199 377 E C 0.818 177.425 176.600 0.011 0.000 1.069 377 E CA 0.358 56.769 56.400 0.018 0.000 0.876 377 E CB 0.104 29.828 29.700 0.041 0.000 0.843 377 E HN 0.530 nan 8.360 nan 0.000 0.530 378 G N 1.672 110.477 108.800 0.008 0.000 2.184 378 G HA2 -0.384 3.578 3.960 0.003 0.000 0.264 378 G HA3 -0.384 3.578 3.960 0.003 0.000 0.264 378 G C 0.935 175.828 174.900 -0.011 0.000 0.975 378 G CA 0.469 45.562 45.100 -0.013 0.000 0.642 378 G HN 0.294 nan 8.290 nan 0.000 0.536 379 R N 0.433 120.957 120.500 0.040 0.000 2.237 379 R HA 0.208 4.550 4.340 0.003 0.000 0.219 379 R C 1.636 177.976 176.300 0.067 0.000 1.080 379 R CA 1.027 57.157 56.100 0.051 0.000 0.995 379 R CB 0.046 30.352 30.300 0.010 0.000 0.875 379 R HN 0.548 nan 8.270 nan 0.000 0.462 380 G N 0.143 108.884 108.800 -0.098 0.000 3.086 380 G HA2 0.329 4.291 3.960 0.003 0.000 0.282 380 G HA3 0.329 4.291 3.960 0.003 0.000 0.282 380 G C -1.510 173.189 174.900 -0.335 0.000 1.343 380 G CA -0.606 44.243 45.100 -0.419 0.000 0.895 380 G HN -0.069 nan 8.290 nan 0.000 0.557 381 K N 0.616 120.798 120.400 -0.362 0.000 2.425 381 K HA 0.496 4.818 4.320 0.003 0.000 0.259 381 K C -0.760 175.731 176.600 -0.182 0.000 0.978 381 K CA -0.311 55.860 56.287 -0.194 0.000 0.883 381 K CB 1.028 33.467 32.500 -0.103 0.000 1.110 381 K HN 0.392 nan 8.250 nan 0.000 0.436 382 T N 4.871 119.350 114.554 -0.124 0.000 2.889 382 T HA 0.352 4.704 4.350 0.003 0.000 0.291 382 T C -0.274 174.450 174.700 0.040 0.000 0.995 382 T CA -0.444 61.623 62.100 -0.054 0.000 1.092 382 T CB 0.703 69.545 68.868 -0.042 0.000 0.954 382 T HN 0.441 nan 8.240 nan 0.000 0.506 383 I N 1.116 121.765 120.570 0.132 0.000 3.467 383 I HA 0.426 4.598 4.170 0.003 0.000 0.314 383 I C -0.580 175.685 176.117 0.246 0.000 1.177 383 I CA -1.696 59.711 61.300 0.178 0.000 0.943 383 I CB 2.247 40.372 38.000 0.209 0.000 1.338 383 I HN 0.474 nan 8.210 nan 0.000 0.482 384 K N 1.480 122.022 120.400 0.238 0.000 2.349 384 K HA 0.372 4.694 4.320 0.003 0.000 0.289 384 K C 1.027 177.827 176.600 0.333 0.000 1.064 384 K CA 0.428 56.859 56.287 0.239 0.000 0.947 384 K CB 0.944 33.548 32.500 0.173 0.000 1.007 384 K HN 0.625 nan 8.250 nan 0.000 0.478 385 A N 4.101 127.135 122.820 0.358 0.000 1.929 385 A HA -0.297 4.025 4.320 0.003 0.000 0.221 385 A C 1.786 179.546 177.584 0.292 0.000 1.211 385 A CA 1.736 53.982 52.037 0.348 0.000 0.657 385 A CB -0.380 18.704 19.000 0.139 0.000 0.827 385 A HN 0.907 nan 8.150 nan 0.000 0.462 386 Q N -1.311 118.628 119.800 0.231 0.000 2.369 386 Q HA -0.087 4.255 4.340 0.003 0.000 0.206 386 Q C 2.091 178.328 176.000 0.394 0.000 0.963 386 Q CA 1.023 57.000 55.803 0.290 0.000 0.894 386 Q CB -0.061 28.794 28.738 0.194 0.000 0.965 386 Q HN 0.722 nan 8.270 nan 0.000 0.475 387 K N 0.934 121.549 120.400 0.358 0.000 2.057 387 K HA -0.111 4.211 4.320 0.003 0.000 0.206 387 K C 1.962 178.894 176.600 0.554 0.000 1.050 387 K CA 0.670 57.194 56.287 0.394 0.000 0.935 387 K CB -0.020 32.679 32.500 0.331 0.000 0.715 387 K HN 0.237 nan 8.250 nan 0.000 0.439 388 L N 0.558 122.111 121.223 0.550 0.000 2.017 388 L HA -0.200 4.142 4.340 0.003 0.000 0.208 388 L C 2.388 179.442 176.870 0.306 0.000 1.073 388 L CA 1.314 56.324 54.840 0.283 0.000 0.745 388 L CB -0.443 41.771 42.059 0.258 0.000 0.894 388 L HN 0.540 nan 8.230 nan 0.000 0.432 389 W N -0.309 121.144 121.300 0.255 0.000 2.388 389 W HA -0.297 4.365 4.660 0.005 0.000 0.294 389 W C 2.311 178.953 176.519 0.204 0.000 1.212 389 W CA 1.342 58.809 57.345 0.203 0.000 1.271 389 W CB -0.683 28.835 29.460 0.098 0.000 1.126 389 W HN 0.257 nan 8.180 nan 0.000 0.535 390 Y N 1.929 122.355 120.300 0.211 0.000 2.224 390 Y HA -0.245 4.307 4.550 0.004 0.000 0.289 390 Y C 2.792 178.694 175.900 0.004 0.000 1.146 390 Y CA 2.810 60.965 58.100 0.091 0.000 1.182 390 Y CB -0.572 38.004 38.460 0.193 0.000 0.983 390 Y HN -0.203 nan 8.280 nan 0.000 0.524 391 S N 0.308 116.152 115.700 0.240 0.000 2.368 391 S HA -0.150 4.322 4.470 0.003 0.000 0.224 391 S C 1.970 176.520 174.600 -0.084 0.000 1.029 391 S CA 1.496 59.783 58.200 0.145 0.000 0.988 391 S CB -0.395 62.969 63.200 0.273 0.000 0.838 391 S HN 0.470 nan 8.310 nan 0.000 0.462 392 I N 1.561 122.018 120.570 -0.188 0.000 2.208 392 I HA -0.191 3.981 4.170 0.003 0.000 0.245 392 I C 1.981 177.900 176.117 -0.330 0.000 1.097 392 I CA 1.094 62.228 61.300 -0.277 0.000 1.363 392 I CB -0.390 37.405 38.000 -0.340 0.000 1.051 392 I HN 0.247 nan 8.210 nan 0.000 0.413 393 L N 0.236 121.179 121.223 -0.467 0.000 2.131 393 L HA -0.196 4.146 4.340 0.003 0.000 0.210 393 L C 2.497 179.203 176.870 -0.274 0.000 1.092 393 L CA 1.368 55.968 54.840 -0.401 0.000 0.759 393 L CB -0.596 41.160 42.059 -0.506 0.000 0.903 393 L HN 0.325 nan 8.230 nan 0.000 0.435 394 E N 0.239 120.281 120.200 -0.262 0.000 2.072 394 E HA -0.195 4.157 4.350 0.003 0.000 0.191 394 E C 2.331 178.872 176.600 -0.098 0.000 0.985 394 E CA 1.127 57.430 56.400 -0.162 0.000 0.801 394 E CB -0.100 29.551 29.700 -0.081 0.000 0.750 394 E HN 0.488 nan 8.360 nan 0.000 0.452 395 A N 1.554 124.310 122.820 -0.107 0.000 1.883 395 A HA -0.281 4.041 4.320 0.003 0.000 0.217 395 A C 2.097 179.624 177.584 -0.094 0.000 1.186 395 A CA 1.645 53.622 52.037 -0.099 0.000 0.624 395 A CB -0.571 18.347 19.000 -0.136 0.000 0.822 395 A HN 0.187 nan 8.150 nan 0.000 0.444 396 Q N -1.037 118.701 119.800 -0.104 0.000 2.084 396 Q HA -0.126 4.216 4.340 0.003 0.000 0.202 396 Q C 2.158 178.139 176.000 -0.032 0.000 0.978 396 Q CA 1.903 57.670 55.803 -0.061 0.000 0.844 396 Q CB -0.469 28.247 28.738 -0.036 0.000 0.898 396 Q HN 0.655 nan 8.270 nan 0.000 0.426 397 T N 0.860 115.384 114.554 -0.051 0.000 2.803 397 T HA -0.152 4.200 4.350 0.003 0.000 0.269 397 T C 1.304 175.999 174.700 -0.009 0.000 1.052 397 T CA 1.361 63.443 62.100 -0.029 0.000 1.136 397 T CB -0.065 68.771 68.868 -0.053 0.000 0.864 397 T HN 0.327 nan 8.240 nan 0.000 0.467 398 E N -0.093 120.099 120.200 -0.013 0.000 2.307 398 E HA 0.026 4.378 4.350 0.003 0.000 0.195 398 E C 2.080 178.689 176.600 0.015 0.000 0.975 398 E CA 0.990 57.392 56.400 0.004 0.000 0.878 398 E CB 0.459 30.171 29.700 0.018 0.000 0.845 398 E HN 0.565 nan 8.360 nan 0.000 0.488 399 T N -4.509 110.048 114.554 0.005 0.000 3.041 399 T HA 0.268 4.620 4.350 0.003 0.000 0.276 399 T C 1.491 176.220 174.700 0.050 0.000 0.948 399 T CA 0.410 62.515 62.100 0.008 0.000 0.885 399 T CB 0.931 69.765 68.868 -0.057 0.000 1.175 399 T HN 0.168 nan 8.240 nan 0.000 0.529 400 G N 1.783 110.614 108.800 0.052 0.000 2.196 400 G HA2 -0.250 3.712 3.960 0.003 0.000 0.268 400 G HA3 -0.250 3.712 3.960 0.003 0.000 0.268 400 G C 0.306 175.218 174.900 0.020 0.000 0.975 400 G CA 1.148 46.309 45.100 0.101 0.000 0.648 400 G HN 1.470 nan 8.290 nan 0.000 0.538 401 T N -2.430 112.062 114.554 -0.103 0.000 2.901 401 T HA 0.789 5.141 4.350 0.003 0.000 0.293 401 T C -3.151 171.402 174.700 -0.245 0.000 1.084 401 T CA -1.533 60.395 62.100 -0.288 0.000 1.008 401 T CB 3.656 72.228 68.868 -0.492 0.000 1.170 401 T HN 0.061 nan 8.240 nan 0.000 0.509 402 P HA 0.299 nan 4.420 nan 0.000 0.274 402 P C -0.397 176.772 177.300 -0.219 0.000 1.231 402 P CA -0.598 62.267 63.100 -0.391 0.000 0.790 402 P CB 0.338 31.864 31.700 -0.289 0.000 0.951 403 F N -0.044 119.810 119.950 -0.161 0.000 2.490 403 F HA 0.197 4.726 4.527 0.003 0.000 0.336 403 F C 0.946 176.671 175.800 -0.126 0.000 1.178 403 F CA -0.658 57.278 58.000 -0.106 0.000 1.301 403 F CB 0.289 39.262 39.000 -0.045 0.000 1.175 403 F HN -0.029 nan 8.300 nan 0.000 0.593 404 V N 2.708 122.677 119.914 0.093 0.000 2.407 404 V HA 0.395 4.517 4.120 0.003 0.000 0.291 404 V C -0.550 175.423 176.094 -0.202 0.000 1.018 404 V CA -0.672 61.537 62.300 -0.151 0.000 0.842 404 V CB 1.510 33.154 31.823 -0.299 0.000 0.996 404 V HN 0.490 nan 8.190 nan 0.000 0.426 405 V N 5.135 124.938 119.914 -0.184 0.000 2.483 405 V HA 0.415 4.537 4.120 0.003 0.000 0.297 405 V C -0.904 174.967 176.094 -0.372 0.000 1.027 405 V CA -0.905 61.323 62.300 -0.120 0.000 0.855 405 V CB 1.595 33.636 31.823 0.363 0.000 0.995 405 V HN 0.759 nan 8.190 nan 0.000 0.424 406 Y N 3.626 123.876 120.300 -0.084 0.000 2.587 406 Y HA 0.114 4.666 4.550 0.004 0.000 0.344 406 Y C 1.602 177.190 175.900 -0.520 0.000 1.061 406 Y CA 0.059 58.024 58.100 -0.225 0.000 1.370 406 Y CB 0.613 39.051 38.460 -0.037 0.000 1.163 406 Y HN 0.683 nan 8.280 nan 0.000 0.527 407 K N 1.853 121.812 120.400 -0.734 0.000 2.103 407 K HA -0.230 4.092 4.320 0.003 0.000 0.207 407 K C 0.585 176.788 176.600 -0.661 0.000 1.048 407 K CA 2.114 57.621 56.287 -1.300 0.000 0.930 407 K CB 0.144 31.797 32.500 -1.412 0.000 0.716 407 K HN 0.712 nan 8.250 nan 0.000 0.444 408 D N 0.203 120.400 120.400 -0.339 0.000 2.149 408 D HA -0.017 4.625 4.640 0.003 0.000 0.206 408 D C 1.922 178.116 176.300 -0.177 0.000 0.967 408 D CA 1.171 55.075 54.000 -0.159 0.000 0.848 408 D CB -0.253 40.545 40.800 -0.002 0.000 0.998 408 D HN 0.320 nan 8.370 nan 0.000 0.474 409 A N 0.765 123.495 122.820 -0.149 0.000 1.917 409 A HA -0.241 4.081 4.320 0.003 0.000 0.219 409 A C 2.533 180.000 177.584 -0.194 0.000 1.182 409 A CA 1.579 53.504 52.037 -0.186 0.000 0.633 409 A CB -1.083 17.852 19.000 -0.109 0.000 0.819 409 A HN 0.349 nan 8.150 nan 0.000 0.448 410 C N -0.939 118.248 119.300 -0.189 0.000 2.440 410 C HA -0.034 4.428 4.460 0.003 0.000 0.278 410 C C 2.705 177.594 174.990 -0.169 0.000 1.295 410 C CA 1.126 60.069 59.018 -0.125 0.000 1.738 410 C CB -1.314 26.382 27.740 -0.073 0.000 1.987 410 C HN 0.658 nan 8.230 nan 0.000 0.492 411 N N -0.038 118.462 118.700 -0.334 0.000 2.305 411 N HA 0.007 4.749 4.740 0.003 0.000 0.179 411 N C 1.998 177.240 175.510 -0.446 0.000 1.019 411 N CA 0.473 53.205 53.050 -0.529 0.000 0.869 411 N CB -0.329 37.475 38.487 -1.140 0.000 1.000 411 N HN 0.468 nan 8.380 nan 0.000 0.431 412 R N 1.142 121.468 120.500 -0.291 0.000 2.103 412 R HA -0.067 4.275 4.340 0.003 0.000 0.242 412 R C 0.397 176.637 176.300 -0.100 0.000 1.142 412 R CA 1.491 57.569 56.100 -0.037 0.000 0.960 412 R CB 0.108 30.386 30.300 -0.037 0.000 0.858 412 R HN 0.025 nan 8.270 nan 0.000 0.439 413 K N -0.367 119.938 120.400 -0.158 0.000 2.814 413 K HA 0.141 4.463 4.320 0.003 0.000 0.213 413 K C -0.642 175.926 176.600 -0.053 0.000 1.113 413 K CA -0.195 56.013 56.287 -0.132 0.000 1.145 413 K CB 1.403 33.758 32.500 -0.241 0.000 0.948 413 K HN -0.094 nan 8.250 nan 0.000 0.464 414 S N 0.269 115.938 115.700 -0.052 0.000 2.475 414 S HA 0.155 4.627 4.470 0.003 0.000 0.298 414 S C 0.660 175.257 174.600 -0.004 0.000 1.119 414 S CA -0.751 57.439 58.200 -0.017 0.000 1.085 414 S CB 0.938 64.124 63.200 -0.023 0.000 1.028 414 S HN 0.332 nan 8.310 nan 0.000 0.489 415 N N 3.350 122.064 118.700 0.023 0.000 2.520 415 N HA -0.031 4.711 4.740 0.003 0.000 0.185 415 N C 1.287 176.820 175.510 0.037 0.000 1.068 415 N CA 1.157 54.234 53.050 0.046 0.000 0.911 415 N CB 0.043 38.588 38.487 0.097 0.000 0.961 415 N HN 0.691 nan 8.380 nan 0.000 0.446 416 Q N -0.463 119.337 119.800 0.001 0.000 2.403 416 Q HA -0.010 4.332 4.340 0.003 0.000 0.203 416 Q C 1.350 177.306 176.000 -0.074 0.000 0.932 416 Q CA 0.124 55.901 55.803 -0.045 0.000 0.945 416 Q CB 0.206 28.907 28.738 -0.062 0.000 1.045 416 Q HN 0.577 nan 8.270 nan 0.000 0.511 417 K N 0.823 121.197 120.400 -0.043 0.000 2.209 417 K HA -0.168 4.154 4.320 0.003 0.000 0.204 417 K C 1.407 177.976 176.600 -0.050 0.000 1.048 417 K CA 1.594 57.859 56.287 -0.037 0.000 0.940 417 K CB -0.268 32.229 32.500 -0.004 0.000 0.729 417 K HN 0.130 nan 8.250 nan 0.000 0.451 418 N N 2.091 120.753 118.700 -0.062 0.000 2.443 418 N HA -0.171 4.571 4.740 0.003 0.000 0.184 418 N C 1.525 176.952 175.510 -0.137 0.000 1.037 418 N CA 1.118 54.123 53.050 -0.076 0.000 0.896 418 N CB -0.426 38.021 38.487 -0.067 0.000 0.959 418 N HN 0.370 nan 8.380 nan 0.000 0.442 419 L N -1.135 119.942 121.223 -0.242 0.000 2.313 419 L HA 0.246 4.588 4.340 0.003 0.000 0.214 419 L C 1.319 177.803 176.870 -0.644 0.000 1.119 419 L CA 0.477 55.031 54.840 -0.476 0.000 0.809 419 L CB -0.654 40.968 42.059 -0.729 0.000 0.933 419 L HN 0.448 nan 8.230 nan 0.000 0.449 420 G N -0.759 107.822 108.800 -0.365 0.000 2.343 420 G HA2 -0.057 3.905 3.960 0.003 0.000 0.465 420 G HA3 -0.057 3.905 3.960 0.003 0.000 0.465 420 G C -1.138 173.817 174.900 0.092 0.000 1.282 420 G CA -0.893 44.124 45.100 -0.138 0.000 0.996 420 G HN -0.271 nan 8.290 nan 0.000 0.521 421 V N 1.096 121.168 119.914 0.263 0.000 2.488 421 V HA 0.350 4.472 4.120 0.003 0.000 0.277 421 V C 1.156 177.416 176.094 0.276 0.000 1.046 421 V CA -0.216 62.230 62.300 0.243 0.000 0.986 421 V CB 1.016 32.991 31.823 0.253 0.000 0.989 421 V HN 0.558 nan 8.190 nan 0.000 0.475 422 I N 6.071 126.758 120.570 0.196 0.000 2.452 422 I HA 0.158 4.330 4.170 0.003 0.000 0.287 422 I C 1.203 177.400 176.117 0.133 0.000 1.079 422 I CA 0.097 61.487 61.300 0.150 0.000 1.387 422 I CB 0.649 38.745 38.000 0.160 0.000 1.404 422 I HN 0.681 nan 8.210 nan 0.000 0.522 423 K N 4.344 124.577 120.400 -0.278 0.000 2.358 423 K HA 0.159 4.481 4.320 0.003 0.000 0.197 423 K C 0.071 175.801 176.600 -1.451 0.000 1.025 423 K CA 0.109 56.007 56.287 -0.649 0.000 1.104 423 K CB 0.356 32.265 32.500 -0.985 0.000 0.855 423 K HN 0.769 nan 8.250 nan 0.000 0.531 424 S N -1.340 113.441 115.700 -1.532 0.000 2.611 424 S HA 0.278 4.750 4.470 0.003 0.000 0.270 424 S C -0.733 173.027 174.600 -1.400 0.000 1.131 424 S CA -0.933 56.167 58.200 -1.834 0.000 0.826 424 S CB 1.731 64.350 63.200 -0.970 0.000 1.095 424 S HN -0.026 nan 8.310 nan 0.000 0.461 425 S N 0.520 115.233 115.700 -1.645 0.000 2.623 425 S HA 0.643 5.115 4.470 0.003 0.000 0.287 425 S C 0.103 174.271 174.600 -0.720 0.000 1.123 425 S CA -0.393 57.343 58.200 -0.773 0.000 1.016 425 S CB 0.223 63.327 63.200 -0.160 0.000 1.233 425 S HN 0.969 nan 8.310 nan 0.000 0.512 426 N N 0.147 118.728 118.700 -0.198 0.000 2.823 426 N HA 0.160 4.902 4.740 0.003 0.000 0.324 426 N C 0.868 176.490 175.510 0.185 0.000 1.336 426 N CA -0.561 52.477 53.050 -0.021 0.000 0.861 426 N CB -0.528 37.941 38.487 -0.030 0.000 1.157 426 N HN 0.471 nan 8.380 nan 0.000 0.585 427 L N -0.280 121.033 121.223 0.151 0.000 2.141 427 L HA 0.131 4.473 4.340 0.003 0.000 0.209 427 L C 1.250 178.160 176.870 0.066 0.000 1.094 427 L CA 1.481 56.436 54.840 0.191 0.000 0.763 427 L CB -0.433 41.725 42.059 0.164 0.000 0.908 427 L HN 0.685 nan 8.230 nan 0.000 0.437 428 C N -1.590 117.641 119.300 -0.113 0.000 3.125 428 C HA 0.288 4.750 4.460 0.003 0.000 0.284 428 C C 1.158 175.693 174.990 -0.760 0.000 1.386 428 C CA -0.416 58.288 59.018 -0.523 0.000 1.763 428 C CB -1.833 25.715 27.740 -0.321 0.000 2.377 428 C HN 0.707 nan 8.230 nan 0.000 0.620 429 C N 2.521 121.622 119.300 -0.332 0.000 4.432 429 C HA -0.132 4.330 4.460 0.003 0.000 0.294 429 C C 1.822 176.730 174.990 -0.137 0.000 1.398 429 C CA 1.526 60.434 59.018 -0.184 0.000 1.988 429 C CB -2.582 24.980 27.740 -0.297 0.000 1.251 429 C HN 0.828 nan 8.230 nan 0.000 0.791 430 E N -0.348 119.793 120.200 -0.099 0.000 2.391 430 E HA 0.137 4.489 4.350 0.003 0.000 0.206 430 E C 0.519 177.128 176.600 0.014 0.000 0.851 430 E CA 0.289 56.681 56.400 -0.014 0.000 1.059 430 E CB 0.065 29.775 29.700 0.016 0.000 1.065 430 E HN 0.550 nan 8.360 nan 0.000 0.512 431 I N 2.803 123.364 120.570 -0.015 0.000 2.496 431 I HA 0.152 4.324 4.170 0.003 0.000 0.285 431 I C -0.033 176.072 176.117 -0.021 0.000 1.080 431 I CA -0.698 60.591 61.300 -0.018 0.000 1.404 431 I CB 1.310 39.283 38.000 -0.045 0.000 1.403 431 I HN -0.121 nan 8.210 nan 0.000 0.539 432 V N 7.187 127.103 119.914 0.003 0.000 2.380 432 V HA 0.364 4.486 4.120 0.003 0.000 0.272 432 V C -0.162 175.939 176.094 0.012 0.000 1.011 432 V CA -0.495 61.818 62.300 0.021 0.000 0.826 432 V CB 0.895 32.763 31.823 0.074 0.000 1.040 432 V HN 0.744 nan 8.190 nan 0.000 0.441 433 E N 1.996 122.184 120.200 -0.020 0.000 2.367 433 E HA 0.415 4.767 4.350 0.003 0.000 0.273 433 E C -1.571 175.029 176.600 0.000 0.000 0.903 433 E CA -1.017 55.383 56.400 0.001 0.000 0.764 433 E CB 3.094 32.791 29.700 -0.004 0.000 1.252 433 E HN 0.530 nan 8.360 nan 0.000 0.446 434 Y N 2.095 122.353 120.300 -0.070 0.000 2.425 434 Y HA 0.249 4.801 4.550 0.003 0.000 0.331 434 Y C -0.346 175.548 175.900 -0.010 0.000 1.157 434 Y CA 0.199 58.264 58.100 -0.058 0.000 1.372 434 Y CB 0.655 39.054 38.460 -0.101 0.000 1.253 434 Y HN 0.482 nan 8.280 nan 0.000 0.536 435 S N 3.992 119.152 115.700 -0.899 0.000 2.579 435 S HA 0.981 5.453 4.470 0.003 0.000 0.272 435 S C -1.220 173.012 174.600 -0.614 0.000 1.141 435 S CA -0.396 57.468 58.200 -0.560 0.000 0.843 435 S CB 1.619 64.705 63.200 -0.189 0.000 1.122 435 S HN 1.329 nan 8.310 nan 0.000 0.468 436 A N 0.825 123.490 122.820 -0.259 0.000 2.599 436 A HA 0.877 5.199 4.320 0.003 0.000 0.290 436 A C -2.772 174.800 177.584 -0.021 0.000 1.101 436 A CA -1.580 50.403 52.037 -0.091 0.000 0.674 436 A CB 0.186 19.207 19.000 0.035 0.000 1.277 436 A HN 0.517 nan 8.150 nan 0.000 0.419 437 P HA -0.172 nan 4.420 nan 0.000 0.217 437 P C 0.541 177.847 177.300 0.011 0.000 1.148 437 P CA 2.060 65.165 63.100 0.009 0.000 0.834 437 P CB 0.187 31.907 31.700 0.034 0.000 0.783 438 D N -2.029 118.391 120.400 0.033 0.000 2.398 438 D HA 0.007 4.649 4.640 0.003 0.000 0.210 438 D C 0.114 176.437 176.300 0.038 0.000 1.094 438 D CA 0.292 54.312 54.000 0.034 0.000 0.839 438 D CB 0.105 40.934 40.800 0.048 0.000 0.963 438 D HN 0.153 nan 8.370 nan 0.000 0.506 439 E N 0.370 120.597 120.200 0.045 0.000 2.279 439 E HA 0.262 4.614 4.350 0.003 0.000 0.252 439 E C -1.109 175.505 176.600 0.024 0.000 0.894 439 E CA -0.390 56.048 56.400 0.063 0.000 0.785 439 E CB 1.809 31.609 29.700 0.168 0.000 1.237 439 E HN -0.100 nan 8.360 nan 0.000 0.418 440 T N 2.008 116.579 114.554 0.028 0.000 2.733 440 T HA 0.380 4.732 4.350 0.003 0.000 0.294 440 T C 0.076 174.832 174.700 0.093 0.000 0.956 440 T CA -0.431 61.693 62.100 0.040 0.000 0.987 440 T CB 0.943 69.843 68.868 0.054 0.000 0.920 440 T HN 0.470 nan 8.240 nan 0.000 0.470 441 A N 3.832 126.688 122.820 0.060 0.000 2.425 441 A HA 0.612 4.934 4.320 0.003 0.000 0.249 441 A C 0.037 177.643 177.584 0.037 0.000 1.084 441 A CA -0.401 51.670 52.037 0.057 0.000 0.781 441 A CB 0.243 19.254 19.000 0.018 0.000 1.019 441 A HN 0.683 nan 8.150 nan 0.000 0.490 442 V N 0.656 120.562 119.914 -0.013 0.000 2.864 442 V HA 0.623 4.745 4.120 0.003 0.000 0.314 442 V C -0.131 175.876 176.094 -0.145 0.000 1.073 442 V CA -0.730 61.460 62.300 -0.184 0.000 0.956 442 V CB 1.565 33.363 31.823 -0.042 0.000 1.023 442 V HN 1.068 nan 8.190 nan 0.000 0.435 443 C N 2.614 121.779 119.300 -0.224 0.000 2.797 443 C HA 0.604 5.066 4.460 0.003 0.000 0.306 443 C C -0.370 174.555 174.990 -0.107 0.000 1.207 443 C CA -0.750 58.200 59.018 -0.114 0.000 1.507 443 C CB 1.681 29.379 27.740 -0.071 0.000 2.028 443 C HN 1.071 nan 8.230 nan 0.000 0.475 444 N N 2.284 120.961 118.700 -0.038 0.000 2.443 444 N HA 0.791 5.533 4.740 0.003 0.000 0.295 444 N C -1.514 174.006 175.510 0.017 0.000 1.076 444 N CA -0.447 52.601 53.050 -0.003 0.000 0.919 444 N CB 1.135 39.638 38.487 0.027 0.000 1.176 444 N HN 0.341 nan 8.380 nan 0.000 0.487 445 L N 1.469 122.715 121.223 0.039 0.000 2.408 445 L HA 0.847 5.189 4.340 0.003 0.000 0.268 445 L C -0.734 176.152 176.870 0.027 0.000 0.986 445 L CA -0.527 54.331 54.840 0.030 0.000 0.820 445 L CB 1.871 43.945 42.059 0.026 0.000 1.303 445 L HN 0.727 nan 8.230 nan 0.000 0.411 446 A N 1.318 124.112 122.820 -0.045 0.000 2.556 446 A HA 0.937 5.259 4.320 0.003 0.000 0.294 446 A C -1.035 176.523 177.584 -0.044 0.000 1.091 446 A CA -0.404 51.555 52.037 -0.131 0.000 0.704 446 A CB 1.959 20.685 19.000 -0.456 0.000 1.300 446 A HN 0.635 nan 8.150 nan 0.000 0.406 447 S N 0.010 115.720 115.700 0.015 0.000 2.526 447 S HA 0.717 5.189 4.470 0.003 0.000 0.293 447 S C -0.727 173.951 174.600 0.130 0.000 1.092 447 S CA -0.655 57.587 58.200 0.070 0.000 0.980 447 S CB 1.314 64.569 63.200 0.092 0.000 1.048 447 S HN 0.982 nan 8.310 nan 0.000 0.483 448 V N 2.059 122.045 119.914 0.120 0.000 2.509 448 V HA 0.642 4.764 4.120 0.003 0.000 0.284 448 V C 0.732 176.948 176.094 0.204 0.000 1.047 448 V CA -0.636 61.790 62.300 0.211 0.000 0.952 448 V CB 1.202 33.110 31.823 0.142 0.000 0.988 448 V HN 1.152 nan 8.190 nan 0.000 0.469 449 A N 5.245 128.211 122.820 0.244 0.000 2.666 449 A HA 0.404 4.726 4.320 0.003 0.000 0.301 449 A C 1.125 178.746 177.584 0.062 0.000 1.470 449 A CA -0.237 51.857 52.037 0.096 0.000 1.159 449 A CB -0.445 18.620 19.000 0.108 0.000 1.116 449 A HN 0.919 nan 8.150 nan 0.000 0.548 450 L N 2.464 123.704 121.223 0.029 0.000 2.079 450 L HA -0.134 4.208 4.340 0.003 0.000 0.210 450 L C -0.569 176.378 176.870 0.129 0.000 1.081 450 L CA 1.329 56.270 54.840 0.170 0.000 0.752 450 L CB -1.283 40.767 42.059 -0.015 0.000 0.896 450 L HN 0.407 nan 8.230 nan 0.000 0.433 451 P HA -0.159 nan 4.420 nan 0.000 0.218 451 P C 1.381 178.537 177.300 -0.240 0.000 1.149 451 P CA 1.569 64.518 63.100 -0.251 0.000 0.817 451 P CB -0.024 31.348 31.700 -0.546 0.000 0.785 452 A N -1.756 120.822 122.820 -0.403 0.000 2.225 452 A HA -0.107 4.215 4.320 0.003 0.000 0.215 452 A C 1.232 178.384 177.584 -0.720 0.000 1.164 452 A CA 1.080 52.730 52.037 -0.645 0.000 0.710 452 A CB -1.609 16.812 19.000 -0.965 0.000 0.780 452 A HN 0.191 nan 8.150 nan 0.000 0.473 453 F N -0.716 119.081 119.950 -0.255 0.000 2.653 453 F HA 0.376 4.905 4.527 0.003 0.000 0.304 453 F C 0.453 175.890 175.800 -0.604 0.000 1.092 453 F CA -0.503 57.221 58.000 -0.460 0.000 1.279 453 F CB 0.039 38.575 39.000 -0.773 0.000 1.044 453 F HN -0.020 nan 8.300 nan 0.000 0.564 454 I N 2.717 123.151 120.570 -0.228 0.000 2.496 454 I HA 0.111 4.283 4.170 0.003 0.000 0.285 454 I C 0.056 176.120 176.117 -0.088 0.000 1.080 454 I CA 0.102 61.340 61.300 -0.104 0.000 1.404 454 I CB 0.523 38.518 38.000 -0.008 0.000 1.403 454 I HN 0.230 nan 8.210 nan 0.000 0.539 455 E N 2.996 123.165 120.200 -0.053 0.000 2.340 455 E HA 0.281 4.633 4.350 0.003 0.000 0.273 455 E C -0.412 176.186 176.600 -0.003 0.000 0.891 455 E CA -0.790 55.593 56.400 -0.028 0.000 0.757 455 E CB 1.667 31.352 29.700 -0.024 0.000 1.231 455 E HN 0.596 nan 8.360 nan 0.000 0.439 456 T N -1.538 113.017 114.554 0.001 0.000 3.312 456 T HA 0.029 4.381 4.350 0.003 0.000 0.251 456 T C 0.631 175.336 174.700 0.009 0.000 1.012 456 T CA -0.352 61.754 62.100 0.010 0.000 0.925 456 T CB -0.306 68.568 68.868 0.010 0.000 1.049 456 T HN 0.313 nan 8.240 nan 0.000 0.583 457 S N 1.157 116.860 115.700 0.007 0.000 3.355 457 S HA 0.115 4.587 4.470 0.003 0.000 0.293 457 S C 0.861 175.469 174.600 0.013 0.000 1.197 457 S CA -0.342 57.863 58.200 0.008 0.000 1.117 457 S CB -0.403 62.801 63.200 0.006 0.000 1.587 457 S HN 0.675 nan 8.310 nan 0.000 0.536 458 E N 1.968 122.176 120.200 0.013 0.000 2.717 458 E HA 0.145 4.497 4.350 0.003 0.000 0.204 458 E C 0.183 176.789 176.600 0.010 0.000 0.911 458 E CA 0.665 57.073 56.400 0.014 0.000 1.370 458 E CB 0.430 30.140 29.700 0.017 0.000 1.315 458 E HN 0.737 nan 8.360 nan 0.000 0.643 459 D N -1.249 119.156 120.400 0.009 0.000 2.327 459 D HA -0.125 4.517 4.640 0.003 0.000 0.183 459 D C 1.337 177.641 176.300 0.007 0.000 1.161 459 D CA 0.300 54.304 54.000 0.007 0.000 0.481 459 D CB -1.239 39.564 40.800 0.006 0.000 3.280 459 D HN 0.156 nan 8.370 nan 0.000 0.218 460 G N 0.531 109.336 108.800 0.008 0.000 2.707 460 G HA2 0.210 4.172 3.960 0.003 0.000 0.192 460 G HA3 0.210 4.172 3.960 0.003 0.000 0.192 460 G C 0.045 174.950 174.900 0.010 0.000 1.471 460 G CA 1.038 46.143 45.100 0.008 0.000 0.865 460 G HN 0.463 nan 8.290 nan 0.000 0.529 461 K N 0.405 120.812 120.400 0.012 0.000 3.098 461 K HA 0.307 4.629 4.320 0.003 0.000 0.204 461 K C -1.615 174.994 176.600 0.016 0.000 1.210 461 K CA -0.143 56.152 56.287 0.013 0.000 0.899 461 K CB 0.771 33.279 32.500 0.014 0.000 1.176 461 K HN 0.420 nan 8.250 nan 0.000 0.585 462 T N -0.413 114.152 114.554 0.017 0.000 2.921 462 T HA 0.347 4.699 4.350 0.003 0.000 0.297 462 T C -0.190 174.525 174.700 0.025 0.000 1.013 462 T CA -0.721 61.392 62.100 0.020 0.000 0.990 462 T CB 1.820 70.700 68.868 0.020 0.000 1.023 462 T HN 0.013 nan 8.240 nan 0.000 0.447 463 S N 2.337 118.054 115.700 0.029 0.000 2.617 463 S HA 0.790 5.262 4.470 0.003 0.000 0.269 463 S C 0.607 175.238 174.600 0.051 0.000 1.292 463 S CA -0.783 57.437 58.200 0.034 0.000 1.010 463 S CB 0.869 64.090 63.200 0.034 0.000 0.944 463 S HN 0.947 nan 8.310 nan 0.000 0.536 464 T N -0.428 114.159 114.554 0.056 0.000 2.831 464 T HA 0.570 4.922 4.350 0.003 0.000 0.287 464 T C -1.568 173.187 174.700 0.090 0.000 1.070 464 T CA -0.627 61.528 62.100 0.091 0.000 1.010 464 T CB 0.825 69.746 68.868 0.088 0.000 1.264 464 T HN 0.457 nan 8.240 nan 0.000 0.532 465 Y N 1.471 121.728 120.300 -0.071 0.000 2.335 465 Y HA 0.502 5.054 4.550 0.004 0.000 0.338 465 Y C 0.055 175.777 175.900 -0.297 0.000 0.977 465 Y CA -1.140 56.787 58.100 -0.288 0.000 1.114 465 Y CB 1.366 39.443 38.460 -0.638 0.000 1.182 465 Y HN 0.713 nan 8.280 nan 0.000 0.463 466 N N 5.848 124.258 118.700 -0.483 0.000 2.968 466 N HA 0.027 4.769 4.740 0.003 0.000 0.271 466 N C 0.206 175.587 175.510 -0.215 0.000 1.174 466 N CA 0.275 53.206 53.050 -0.199 0.000 1.096 466 N CB -0.505 37.936 38.487 -0.076 0.000 1.403 466 N HN 0.698 nan 8.380 nan 0.000 0.522 467 F N 1.064 121.072 119.950 0.098 0.000 2.307 467 F HA -0.123 4.406 4.527 0.003 0.000 0.301 467 F C 2.082 178.025 175.800 0.239 0.000 1.076 467 F CA 0.912 59.035 58.000 0.205 0.000 1.383 467 F CB 0.209 39.374 39.000 0.274 0.000 1.055 467 F HN 0.346 nan 8.300 nan 0.000 0.526 468 K N 0.137 120.729 120.400 0.319 0.000 2.007 468 K HA -0.112 4.210 4.320 0.003 0.000 0.206 468 K C 2.192 178.896 176.600 0.174 0.000 1.047 468 K CA 0.812 57.270 56.287 0.285 0.000 0.937 468 K CB -0.088 32.517 32.500 0.175 0.000 0.718 468 K HN -0.045 nan 8.250 nan 0.000 0.438 469 K N 0.966 121.429 120.400 0.105 0.000 2.147 469 K HA -0.144 4.178 4.320 0.003 0.000 0.205 469 K C 2.144 178.733 176.600 -0.018 0.000 1.049 469 K CA 0.840 57.199 56.287 0.120 0.000 0.936 469 K CB -0.222 32.433 32.500 0.257 0.000 0.722 469 K HN 0.071 nan 8.250 nan 0.000 0.446 470 L N 0.725 121.711 121.223 -0.396 0.000 2.027 470 L HA -0.174 4.168 4.340 0.003 0.000 0.206 470 L C 2.522 179.164 176.870 -0.379 0.000 1.074 470 L CA 1.839 56.107 54.840 -0.953 0.000 0.745 470 L CB -0.689 40.833 42.059 -0.896 0.000 0.898 470 L HN 0.301 nan 8.230 nan 0.000 0.433 471 H N -0.292 118.630 119.070 -0.247 0.000 2.352 471 H HA -0.222 4.336 4.556 0.003 0.000 0.299 471 H C 2.084 177.271 175.328 -0.235 0.000 1.097 471 H CA 2.121 57.983 56.048 -0.310 0.000 1.311 471 H CB 0.159 29.645 29.762 -0.460 0.000 1.377 471 H HN 0.582 nan 8.280 nan 0.000 0.504 472 E N 0.093 120.274 120.200 -0.032 0.000 2.031 472 E HA -0.155 4.197 4.350 0.003 0.000 0.193 472 E C 2.387 178.920 176.600 -0.112 0.000 0.994 472 E CA 1.207 57.580 56.400 -0.045 0.000 0.800 472 E CB -0.001 29.709 29.700 0.018 0.000 0.752 472 E HN 0.342 nan 8.360 nan 0.000 0.447 473 I N 1.337 121.862 120.570 -0.076 0.000 2.208 473 I HA -0.243 3.929 4.170 0.003 0.000 0.245 473 I C 2.403 178.401 176.117 -0.199 0.000 1.097 473 I CA 1.453 62.724 61.300 -0.049 0.000 1.363 473 I CB -0.629 37.508 38.000 0.228 0.000 1.051 473 I HN 0.155 nan 8.210 nan 0.000 0.413 474 A N -0.250 122.419 122.820 -0.250 0.000 1.969 474 A HA -0.187 4.135 4.320 0.003 0.000 0.218 474 A C 2.301 179.701 177.584 -0.306 0.000 1.169 474 A CA 1.321 53.183 52.037 -0.292 0.000 0.635 474 A CB -0.430 18.380 19.000 -0.317 0.000 0.810 474 A HN 0.283 nan 8.150 nan 0.000 0.445 475 K N -0.269 119.933 120.400 -0.330 0.000 2.147 475 K HA -0.069 4.253 4.320 0.003 0.000 0.205 475 K C 1.933 178.415 176.600 -0.196 0.000 1.049 475 K CA 1.374 57.495 56.287 -0.277 0.000 0.936 475 K CB -0.406 31.934 32.500 -0.267 0.000 0.722 475 K HN 0.390 nan 8.250 nan 0.000 0.446 476 V N 0.949 120.744 119.914 -0.199 0.000 2.302 476 V HA -0.170 3.952 4.120 0.003 0.000 0.243 476 V C 2.440 178.398 176.094 -0.226 0.000 1.036 476 V CA 1.159 63.366 62.300 -0.155 0.000 1.020 476 V CB -0.297 31.462 31.823 -0.106 0.000 0.657 476 V HN -0.029 nan 8.190 nan 0.000 0.453 477 V N 0.102 119.751 119.914 -0.443 0.000 2.332 477 V HA -0.300 3.822 4.120 0.003 0.000 0.248 477 V C 2.588 178.543 176.094 -0.232 0.000 1.055 477 V CA 2.647 64.637 62.300 -0.516 0.000 1.038 477 V CB -1.172 30.248 31.823 -0.671 0.000 0.651 477 V HN 0.615 nan 8.190 nan 0.000 0.450 478 T N 0.018 114.459 114.554 -0.188 0.000 2.635 478 T HA -0.268 4.084 4.350 0.003 0.000 0.267 478 T C 2.038 176.703 174.700 -0.058 0.000 1.040 478 T CA 2.051 64.084 62.100 -0.111 0.000 1.156 478 T CB -0.309 68.484 68.868 -0.126 0.000 0.863 478 T HN 0.469 nan 8.240 nan 0.000 0.430 479 R N 1.071 121.541 120.500 -0.050 0.000 2.103 479 R HA -0.110 4.232 4.340 0.003 0.000 0.242 479 R C 2.462 178.796 176.300 0.057 0.000 1.142 479 R CA 1.653 57.760 56.100 0.012 0.000 0.960 479 R CB -0.422 29.899 30.300 0.034 0.000 0.858 479 R HN 0.340 nan 8.270 nan 0.000 0.439 480 N N 0.827 119.571 118.700 0.074 0.000 2.025 480 N HA -0.150 4.592 4.740 0.003 0.000 0.194 480 N C 1.843 177.392 175.510 0.066 0.000 1.044 480 N CA 1.306 54.405 53.050 0.082 0.000 0.851 480 N CB -0.471 38.161 38.487 0.243 0.000 1.036 480 N HN 0.130 nan 8.380 nan 0.000 0.422 481 L N 0.906 122.194 121.223 0.107 0.000 2.043 481 L HA -0.207 4.135 4.340 0.003 0.000 0.212 481 L C 2.213 179.107 176.870 0.041 0.000 1.075 481 L CA 1.147 56.039 54.840 0.087 0.000 0.752 481 L CB -0.593 41.493 42.059 0.046 0.000 0.891 481 L HN 0.375 nan 8.230 nan 0.000 0.432 482 N N 0.238 118.954 118.700 0.027 0.000 2.120 482 N HA -0.192 4.550 4.740 0.003 0.000 0.188 482 N C 2.031 177.557 175.510 0.028 0.000 1.024 482 N CA 1.065 54.131 53.050 0.026 0.000 0.852 482 N CB 0.112 38.610 38.487 0.018 0.000 1.003 482 N HN 0.258 nan 8.380 nan 0.000 0.424 483 R N 0.799 121.308 120.500 0.015 0.000 2.083 483 R HA -0.069 4.273 4.340 0.003 0.000 0.237 483 R C 2.344 178.638 176.300 -0.009 0.000 1.137 483 R CA 0.748 56.849 56.100 0.001 0.000 0.951 483 R CB -1.121 29.156 30.300 -0.039 0.000 0.851 483 R HN 0.158 nan 8.270 nan 0.000 0.434 484 V N 2.180 122.075 119.914 -0.031 0.000 2.313 484 V HA -0.293 3.829 4.120 0.003 0.000 0.253 484 V C 2.450 178.548 176.094 0.006 0.000 1.070 484 V CA 1.985 64.266 62.300 -0.031 0.000 1.057 484 V CB -0.558 31.250 31.823 -0.025 0.000 0.653 484 V HN 0.281 nan 8.190 nan 0.000 0.450 485 I N -0.073 120.525 120.570 0.047 0.000 2.236 485 I HA -0.291 3.881 4.170 0.003 0.000 0.249 485 I C 2.119 178.329 176.117 0.155 0.000 1.102 485 I CA 1.854 63.225 61.300 0.119 0.000 1.365 485 I CB -0.498 37.571 38.000 0.114 0.000 1.051 485 I HN 0.384 nan 8.210 nan 0.000 0.420 486 D N 0.288 120.747 120.400 0.097 0.000 2.277 486 D HA 0.002 4.644 4.640 0.003 0.000 0.209 486 D C 1.969 178.319 176.300 0.084 0.000 0.970 486 D CA 0.707 54.769 54.000 0.104 0.000 0.874 486 D CB 0.065 40.909 40.800 0.074 0.000 0.982 486 D HN 0.309 nan 8.370 nan 0.000 0.504 487 R N 0.483 121.009 120.500 0.043 0.000 2.334 487 R HA 0.129 4.471 4.340 0.003 0.000 0.220 487 R C 0.285 176.589 176.300 0.008 0.000 0.917 487 R CA -0.267 55.852 56.100 0.032 0.000 1.073 487 R CB 0.045 30.352 30.300 0.012 0.000 1.056 487 R HN -0.015 nan 8.270 nan 0.000 0.506 488 N N 0.582 119.254 118.700 -0.046 0.000 2.529 488 N HA -0.040 4.702 4.740 0.003 0.000 0.278 488 N C -1.276 174.095 175.510 -0.231 0.000 1.146 488 N CA -0.396 52.537 53.050 -0.196 0.000 0.980 488 N CB 0.552 38.796 38.487 -0.405 0.000 1.124 488 N HN 0.040 nan 8.380 nan 0.000 0.458 489 Y N 3.714 123.857 120.300 -0.263 0.000 2.341 489 Y HA 0.342 4.894 4.550 0.003 0.000 0.340 489 Y C -1.279 174.487 175.900 -0.223 0.000 0.997 489 Y CA -0.719 57.290 58.100 -0.152 0.000 1.149 489 Y CB 0.212 38.650 38.460 -0.037 0.000 1.171 489 Y HN 0.478 nan 8.280 nan 0.000 0.494 490 Y N 8.186 128.215 120.300 -0.451 0.000 2.304 490 Y HA 0.285 4.837 4.550 0.003 0.000 0.328 490 Y C -1.496 174.068 175.900 -0.560 0.000 1.123 490 Y CA -2.228 55.688 58.100 -0.307 0.000 1.218 490 Y CB 0.968 39.348 38.460 -0.134 0.000 1.207 490 Y HN 0.607 nan 8.280 nan 0.000 0.495 491 P HA -0.052 nan 4.420 nan 0.000 0.229 491 P C -0.805 176.416 177.300 -0.132 0.000 1.160 491 P CA 0.879 63.886 63.100 -0.155 0.000 0.777 491 P CB 0.330 31.932 31.700 -0.163 0.000 0.814 492 V N -4.783 115.074 119.914 -0.096 0.000 3.120 492 V HA 0.416 4.538 4.120 0.003 0.000 0.303 492 V C 1.082 177.151 176.094 -0.043 0.000 1.238 492 V CA -0.919 61.340 62.300 -0.069 0.000 1.008 492 V CB 1.917 33.691 31.823 -0.082 0.000 1.064 492 V HN -0.329 nan 8.190 nan 0.000 0.434 493 E N 1.881 122.056 120.200 -0.042 0.000 2.160 493 E HA -0.192 4.160 4.350 0.003 0.000 0.195 493 E C 1.492 178.058 176.600 -0.056 0.000 0.991 493 E CA 2.291 58.663 56.400 -0.046 0.000 0.810 493 E CB -0.059 29.623 29.700 -0.029 0.000 0.742 493 E HN 0.893 nan 8.360 nan 0.000 0.466 494 E N -0.327 119.851 120.200 -0.037 0.000 2.338 494 E HA 0.001 4.353 4.350 0.003 0.000 0.197 494 E C 1.742 178.329 176.600 -0.022 0.000 1.007 494 E CA 1.018 57.403 56.400 -0.025 0.000 0.849 494 E CB -0.177 29.516 29.700 -0.012 0.000 0.774 494 E HN 0.389 nan 8.360 nan 0.000 0.506 495 A N 0.887 123.700 122.820 -0.011 0.000 1.903 495 A HA -0.038 4.284 4.320 0.003 0.000 0.213 495 A C 2.110 179.514 177.584 -0.299 0.000 1.185 495 A CA 0.922 52.981 52.037 0.037 0.000 0.628 495 A CB -0.198 18.992 19.000 0.317 0.000 0.830 495 A HN 0.068 nan 8.150 nan 0.000 0.446 496 R N 0.130 120.323 120.500 -0.511 0.000 2.081 496 R HA -0.152 4.190 4.340 0.003 0.000 0.235 496 R C 2.235 178.278 176.300 -0.428 0.000 1.131 496 R CA 1.871 57.453 56.100 -0.863 0.000 0.960 496 R CB -0.280 29.716 30.300 -0.505 0.000 0.856 496 R HN 0.543 nan 8.270 nan 0.000 0.436 497 K N 0.033 120.295 120.400 -0.229 0.000 2.001 497 K HA -0.192 4.130 4.320 0.003 0.000 0.214 497 K C 2.135 178.639 176.600 -0.159 0.000 1.050 497 K CA 2.089 58.289 56.287 -0.145 0.000 0.934 497 K CB -0.370 32.089 32.500 -0.069 0.000 0.718 497 K HN 0.096 nan 8.250 nan 0.000 0.443 498 S N 0.561 116.197 115.700 -0.106 0.000 2.369 498 S HA -0.226 4.246 4.470 0.003 0.000 0.225 498 S C 1.845 176.374 174.600 -0.119 0.000 1.043 498 S CA 2.071 60.249 58.200 -0.036 0.000 1.074 498 S CB -0.519 62.723 63.200 0.071 0.000 0.962 498 S HN 0.391 nan 8.310 nan 0.000 0.433 499 N N 0.549 119.163 118.700 -0.144 0.000 2.142 499 N HA 0.044 4.786 4.740 0.003 0.000 0.186 499 N C 1.719 177.165 175.510 -0.106 0.000 1.023 499 N CA 1.376 54.370 53.050 -0.093 0.000 0.852 499 N CB -0.360 38.102 38.487 -0.043 0.000 0.998 499 N HN 0.389 nan 8.380 nan 0.000 0.424 500 M N -0.003 119.498 119.600 -0.165 0.000 2.460 500 M HA -0.013 4.469 4.480 0.003 0.000 0.263 500 M C 1.689 177.927 176.300 -0.103 0.000 1.071 500 M CA 0.963 56.203 55.300 -0.099 0.000 1.096 500 M CB -0.670 31.869 32.600 -0.103 0.000 1.408 500 M HN 0.148 nan 8.290 nan 0.000 0.463 501 R N -1.003 119.353 120.500 -0.240 0.000 2.090 501 R HA -0.025 4.317 4.340 0.003 0.000 0.219 501 R C 1.746 177.936 176.300 -0.183 0.000 1.100 501 R CA 0.873 56.771 56.100 -0.336 0.000 0.991 501 R CB 0.147 30.026 30.300 -0.703 0.000 0.893 501 R HN 0.474 nan 8.270 nan 0.000 0.443 502 H N -0.365 118.763 119.070 0.098 0.000 2.855 502 H HA 0.257 4.815 4.556 0.004 0.000 0.259 502 H C -0.046 175.153 175.328 -0.216 0.000 0.972 502 H CA -0.044 56.000 56.048 -0.007 0.000 1.213 502 H CB 0.460 30.212 29.762 -0.016 0.000 1.451 502 H HN 0.024 nan 8.280 nan 0.000 0.484 503 R N 0.858 121.355 120.500 -0.005 0.000 3.158 503 R HA -0.116 4.226 4.340 0.003 0.000 0.244 503 R C -2.572 173.690 176.300 -0.063 0.000 0.900 503 R CA 0.120 56.208 56.100 -0.020 0.000 0.618 503 R CB -1.968 28.337 30.300 0.009 0.000 1.061 503 R HN 0.352 nan 8.270 nan 0.000 0.471 504 P HA 0.233 nan 4.420 nan 0.000 0.274 504 P C 0.208 177.502 177.300 -0.011 0.000 1.231 504 P CA 0.098 63.176 63.100 -0.037 0.000 0.790 504 P CB 1.046 32.739 31.700 -0.011 0.000 0.951 505 I N 0.565 121.133 120.570 -0.005 0.000 2.934 505 I HA 0.599 4.771 4.170 0.003 0.000 0.306 505 I C -0.666 175.461 176.117 0.016 0.000 1.110 505 I CA -1.187 60.117 61.300 0.007 0.000 1.019 505 I CB 2.411 40.414 38.000 0.005 0.000 1.227 505 I HN 0.339 nan 8.210 nan 0.000 0.434 506 A N 5.896 128.726 122.820 0.016 0.000 2.569 506 A HA 0.717 5.039 4.320 0.003 0.000 0.282 506 A C -1.430 176.169 177.584 0.025 0.000 1.165 506 A CA -0.293 51.761 52.037 0.028 0.000 0.747 506 A CB 0.632 19.646 19.000 0.024 0.000 1.215 506 A HN 0.460 nan 8.150 nan 0.000 0.431 507 L N 1.805 123.050 121.223 0.036 0.000 2.334 507 L HA 0.894 5.236 4.340 0.003 0.000 0.275 507 L C 0.952 177.868 176.870 0.077 0.000 1.036 507 L CA 0.451 55.304 54.840 0.023 0.000 0.807 507 L CB 1.983 44.039 42.059 -0.004 0.000 1.231 507 L HN 0.845 nan 8.230 nan 0.000 0.438 508 G N 0.363 109.210 108.800 0.077 0.000 2.846 508 G HA2 0.752 4.714 3.960 0.003 0.000 0.299 508 G HA3 0.752 4.714 3.960 0.003 0.000 0.299 508 G C -1.511 173.456 174.900 0.111 0.000 1.242 508 G CA 0.074 45.265 45.100 0.152 0.000 0.800 508 G HN 0.778 nan 8.290 nan 0.000 0.538 509 V N -2.387 117.628 119.914 0.168 0.000 3.216 509 V HA 0.919 5.041 4.120 0.003 0.000 0.302 509 V C -1.342 174.833 176.094 0.135 0.000 1.286 509 V CA -0.699 61.669 62.300 0.113 0.000 1.048 509 V CB 1.315 33.160 31.823 0.036 0.000 1.081 509 V HN 1.365 nan 8.190 nan 0.000 0.442 510 Q N 0.958 120.812 119.800 0.090 0.000 2.511 510 Q HA 0.767 5.109 4.340 0.003 0.000 0.289 510 Q C 0.351 176.356 176.000 0.007 0.000 1.021 510 Q CA -0.613 55.241 55.803 0.084 0.000 0.785 510 Q CB 1.713 30.529 28.738 0.130 0.000 1.472 510 Q HN 2.561 nan 8.270 nan 0.000 0.411 511 G N 0.356 109.171 108.800 0.024 0.000 2.143 511 G HA2 -0.266 3.696 3.960 0.003 0.000 0.248 511 G HA3 -0.266 3.696 3.960 0.003 0.000 0.248 511 G C 0.301 175.105 174.900 -0.160 0.000 0.991 511 G CA 0.345 45.392 45.100 -0.088 0.000 0.689 511 G HN 0.594 nan 8.290 nan 0.000 0.522 512 L N -0.188 120.959 121.223 -0.126 0.000 2.046 512 L HA 0.024 4.366 4.340 0.003 0.000 0.208 512 L C 2.998 179.594 176.870 -0.457 0.000 1.077 512 L CA 2.822 57.455 54.840 -0.345 0.000 0.747 512 L CB -0.866 41.071 42.059 -0.203 0.000 0.896 512 L HN 0.532 nan 8.230 nan 0.000 0.432 513 A N 0.052 122.859 122.820 -0.021 0.000 1.908 513 A HA -0.277 4.045 4.320 0.003 0.000 0.218 513 A C 1.705 179.344 177.584 0.093 0.000 1.181 513 A CA 2.103 54.260 52.037 0.200 0.000 0.627 513 A CB -0.701 18.488 19.000 0.315 0.000 0.818 513 A HN 0.540 nan 8.150 nan 0.000 0.445 514 D N -0.625 119.796 120.400 0.035 0.000 2.097 514 D HA -0.098 4.544 4.640 0.003 0.000 0.195 514 D C 1.953 178.118 176.300 -0.225 0.000 0.989 514 D CA 1.875 55.834 54.000 -0.069 0.000 0.827 514 D CB -0.626 40.220 40.800 0.077 0.000 0.966 514 D HN 0.389 nan 8.370 nan 0.000 0.456 515 T N 0.379 114.798 114.554 -0.225 0.000 2.759 515 T HA -0.148 4.204 4.350 0.003 0.000 0.269 515 T C 1.490 176.155 174.700 -0.059 0.000 1.042 515 T CA 0.767 62.753 62.100 -0.190 0.000 1.140 515 T CB -0.314 68.390 68.868 -0.272 0.000 0.864 515 T HN 0.043 nan 8.240 nan 0.000 0.455 516 F N 1.189 121.064 119.950 -0.124 0.000 2.113 516 F HA 0.144 4.673 4.527 0.003 0.000 0.297 516 F C 2.382 178.111 175.800 -0.119 0.000 1.103 516 F CA 0.334 58.258 58.000 -0.127 0.000 1.248 516 F CB -1.028 37.897 39.000 -0.125 0.000 0.999 516 F HN 0.150 nan 8.300 nan 0.000 0.475 517 M N -1.069 118.570 119.600 0.066 0.000 2.159 517 M HA -0.201 4.281 4.480 0.003 0.000 0.263 517 M C 2.049 178.265 176.300 -0.140 0.000 1.063 517 M CA 1.177 56.447 55.300 -0.051 0.000 1.110 517 M CB -0.544 32.041 32.600 -0.026 0.000 1.374 517 M HN 0.069 nan 8.290 nan 0.000 0.411 518 L N 0.077 121.159 121.223 -0.235 0.000 2.156 518 L HA -0.048 4.294 4.340 0.003 0.000 0.208 518 L C 1.910 178.756 176.870 -0.041 0.000 1.095 518 L CA 1.647 56.393 54.840 -0.157 0.000 0.770 518 L CB -0.738 41.220 42.059 -0.168 0.000 0.914 518 L HN 0.322 nan 8.230 nan 0.000 0.439 519 L N -0.698 120.519 121.223 -0.011 0.000 2.629 519 L HA 0.113 4.455 4.340 0.003 0.000 0.230 519 L C 0.378 177.247 176.870 -0.001 0.000 1.151 519 L CA -0.114 54.737 54.840 0.018 0.000 0.924 519 L CB -0.069 42.021 42.059 0.052 0.000 1.137 519 L HN 0.261 nan 8.230 nan 0.000 0.457 520 R N 0.406 120.893 120.500 -0.022 0.000 3.531 520 R HA -0.138 4.204 4.340 0.003 0.000 0.280 520 R C -0.737 175.521 176.300 -0.070 0.000 1.130 520 R CA 0.592 56.664 56.100 -0.047 0.000 0.757 520 R CB -2.339 27.945 30.300 -0.028 0.000 1.218 520 R HN 0.328 nan 8.270 nan 0.000 0.454 521 L N 1.474 122.652 121.223 -0.075 0.000 2.316 521 L HA 0.418 4.760 4.340 0.003 0.000 0.280 521 L C -1.943 174.827 176.870 -0.167 0.000 1.006 521 L CA -2.142 52.611 54.840 -0.145 0.000 0.836 521 L CB 1.753 43.684 42.059 -0.213 0.000 1.221 521 L HN -0.274 nan 8.230 nan 0.000 0.418 522 P HA -0.088 nan 4.420 nan 0.000 0.263 522 P C 0.643 177.844 177.300 -0.165 0.000 1.175 522 P CA 0.140 63.185 63.100 -0.091 0.000 0.761 522 P CB 0.578 32.237 31.700 -0.068 0.000 0.794 523 F N 3.168 123.023 119.950 -0.158 0.000 2.154 523 F HA -0.240 4.289 4.527 0.003 0.000 0.301 523 F C 1.473 177.164 175.800 -0.181 0.000 1.087 523 F CA 2.216 60.120 58.000 -0.161 0.000 1.274 523 F CB -0.232 38.822 39.000 0.090 0.000 1.009 523 F HN 0.299 nan 8.300 nan 0.000 0.485 524 D N -1.017 119.449 120.400 0.109 0.000 2.340 524 D HA 0.046 4.688 4.640 0.003 0.000 0.220 524 D C 0.810 177.080 176.300 -0.050 0.000 1.039 524 D CA 0.462 54.491 54.000 0.048 0.000 0.866 524 D CB -1.143 39.704 40.800 0.079 0.000 0.913 524 D HN 0.194 nan 8.370 nan 0.000 0.523 525 S N 0.101 115.721 115.700 -0.132 0.000 2.568 525 S HA 0.013 4.485 4.470 0.003 0.000 0.282 525 S C 1.264 175.773 174.600 -0.152 0.000 1.338 525 S CA -0.547 57.569 58.200 -0.141 0.000 1.045 525 S CB 1.859 64.951 63.200 -0.180 0.000 0.873 525 S HN -0.055 nan 8.310 nan 0.000 0.516 526 E N 1.661 121.801 120.200 -0.101 0.000 2.219 526 E HA -0.199 4.153 4.350 0.003 0.000 0.198 526 E C 1.413 177.941 176.600 -0.121 0.000 0.998 526 E CA 1.840 58.187 56.400 -0.088 0.000 0.818 526 E CB -0.353 29.314 29.700 -0.055 0.000 0.741 526 E HN 0.841 nan 8.360 nan 0.000 0.477 527 E N -0.224 119.888 120.200 -0.147 0.000 2.028 527 E HA 0.036 4.388 4.350 0.003 0.000 0.190 527 E C 1.979 178.436 176.600 -0.238 0.000 0.984 527 E CA 1.394 57.701 56.400 -0.154 0.000 0.800 527 E CB -0.582 29.037 29.700 -0.136 0.000 0.758 527 E HN 0.338 nan 8.360 nan 0.000 0.448 528 A N 1.085 123.644 122.820 -0.436 0.000 1.978 528 A HA -0.238 4.084 4.320 0.003 0.000 0.220 528 A C 2.134 179.448 177.584 -0.450 0.000 1.170 528 A CA 1.777 53.306 52.037 -0.847 0.000 0.636 528 A CB -0.488 17.592 19.000 -1.533 0.000 0.810 528 A HN 0.110 nan 8.150 nan 0.000 0.448 529 R N -0.506 119.827 120.500 -0.279 0.000 2.075 529 R HA -0.030 4.312 4.340 0.003 0.000 0.232 529 R C 2.071 178.300 176.300 -0.118 0.000 1.126 529 R CA 1.352 57.367 56.100 -0.142 0.000 0.963 529 R CB -0.363 29.878 30.300 -0.098 0.000 0.858 529 R HN 0.527 nan 8.270 nan 0.000 0.435 530 L N 1.002 122.139 121.223 -0.144 0.000 2.046 530 L HA -0.182 4.160 4.340 0.003 0.000 0.208 530 L C 2.316 179.094 176.870 -0.154 0.000 1.077 530 L CA 1.113 55.843 54.840 -0.183 0.000 0.747 530 L CB -0.334 41.632 42.059 -0.155 0.000 0.896 530 L HN 0.302 nan 8.230 nan 0.000 0.432 531 L N 0.504 121.689 121.223 -0.063 0.000 2.027 531 L HA -0.228 4.114 4.340 0.003 0.000 0.206 531 L C 2.138 179.055 176.870 0.078 0.000 1.074 531 L CA 1.799 56.663 54.840 0.040 0.000 0.745 531 L CB -1.026 41.093 42.059 0.099 0.000 0.898 531 L HN 0.283 nan 8.230 nan 0.000 0.433 532 N N 0.150 118.943 118.700 0.154 0.000 2.023 532 N HA -0.296 4.446 4.740 0.003 0.000 0.200 532 N C 1.864 177.505 175.510 0.218 0.000 1.048 532 N CA 2.719 55.907 53.050 0.232 0.000 0.872 532 N CB -0.485 38.112 38.487 0.182 0.000 1.070 532 N HN 0.456 nan 8.380 nan 0.000 0.441 533 I N 0.242 120.848 120.570 0.059 0.000 2.194 533 I HA -0.345 3.827 4.170 0.003 0.000 0.246 533 I C 2.421 178.492 176.117 -0.076 0.000 1.093 533 I CA 1.416 62.730 61.300 0.023 0.000 1.355 533 I CB -0.307 37.621 38.000 -0.118 0.000 1.046 533 I HN 0.385 nan 8.210 nan 0.000 0.413 534 Q N 0.245 119.967 119.800 -0.131 0.000 2.049 534 Q HA -0.141 4.201 4.340 0.003 0.000 0.198 534 Q C 2.403 178.450 176.000 0.077 0.000 0.971 534 Q CA 1.421 57.143 55.803 -0.135 0.000 0.833 534 Q CB -0.050 28.544 28.738 -0.240 0.000 0.896 534 Q HN 0.514 nan 8.270 nan 0.000 0.434 535 I N 0.044 120.698 120.570 0.140 0.000 2.127 535 I HA -0.301 3.871 4.170 0.003 0.000 0.241 535 I C 1.926 177.974 176.117 -0.115 0.000 1.075 535 I CA 1.465 62.779 61.300 0.024 0.000 1.334 535 I CB -0.293 37.566 38.000 -0.235 0.000 1.040 535 I HN 0.147 nan 8.210 nan 0.000 0.405 536 F N 0.824 120.738 119.950 -0.060 0.000 2.171 536 F HA -0.224 4.306 4.527 0.004 0.000 0.300 536 F C 2.622 178.293 175.800 -0.215 0.000 1.090 536 F CA 1.721 59.672 58.000 -0.080 0.000 1.293 536 F CB -0.512 38.472 39.000 -0.026 0.000 1.013 536 F HN 0.147 nan 8.300 nan 0.000 0.486 537 E N 0.022 119.966 120.200 -0.428 0.000 2.085 537 E HA -0.279 4.073 4.350 0.003 0.000 0.194 537 E C 2.268 178.913 176.600 0.074 0.000 0.994 537 E CA 1.865 57.959 56.400 -0.510 0.000 0.801 537 E CB -0.229 29.196 29.700 -0.458 0.000 0.743 537 E HN 0.398 nan 8.360 nan 0.000 0.453 538 T N -0.632 113.964 114.554 0.070 0.000 2.857 538 T HA -0.078 4.274 4.350 0.003 0.000 0.266 538 T C 1.945 176.576 174.700 -0.115 0.000 1.048 538 T CA 1.195 63.272 62.100 -0.039 0.000 1.139 538 T CB -0.299 68.725 68.868 0.260 0.000 0.874 538 T HN 0.209 nan 8.240 nan 0.000 0.455 539 I N -0.127 120.406 120.570 -0.061 0.000 2.226 539 I HA -0.045 4.127 4.170 0.003 0.000 0.245 539 I C 2.378 178.522 176.117 0.045 0.000 1.100 539 I CA 1.458 62.706 61.300 -0.087 0.000 1.374 539 I CB -0.541 37.394 38.000 -0.108 0.000 1.057 539 I HN 0.231 nan 8.210 nan 0.000 0.413 540 Y N 1.030 121.381 120.300 0.084 0.000 2.145 540 Y HA -0.333 4.219 4.550 0.004 0.000 0.286 540 Y C 2.835 178.869 175.900 0.224 0.000 1.145 540 Y CA 1.990 60.229 58.100 0.230 0.000 1.148 540 Y CB -0.823 37.910 38.460 0.455 0.000 0.981 540 Y HN 0.252 nan 8.280 nan 0.000 0.507 541 H N 0.014 119.100 119.070 0.027 0.000 2.387 541 H HA -0.118 4.440 4.556 0.003 0.000 0.299 541 H C 2.022 177.069 175.328 -0.468 0.000 1.090 541 H CA 1.525 57.313 56.048 -0.434 0.000 1.332 541 H CB -0.188 29.108 29.762 -0.777 0.000 1.386 541 H HN 0.447 nan 8.280 nan 0.000 0.516 542 A N 0.601 123.133 122.820 -0.480 0.000 1.873 542 A HA -0.155 4.167 4.320 0.003 0.000 0.215 542 A C 2.796 180.082 177.584 -0.497 0.000 1.186 542 A CA 1.978 53.527 52.037 -0.814 0.000 0.616 542 A CB -0.796 17.539 19.000 -1.109 0.000 0.823 542 A HN 0.646 nan 8.150 nan 0.000 0.442 543 S N -0.724 114.782 115.700 -0.323 0.000 2.402 543 S HA -0.117 4.355 4.470 0.003 0.000 0.229 543 S C 1.909 176.393 174.600 -0.192 0.000 1.021 543 S CA 1.559 59.639 58.200 -0.201 0.000 0.974 543 S CB -0.397 62.761 63.200 -0.069 0.000 0.800 543 S HN 0.356 nan 8.310 nan 0.000 0.484 544 M N 1.674 121.112 119.600 -0.269 0.000 2.156 544 M HA 0.048 4.530 4.480 0.003 0.000 0.264 544 M C 2.431 178.585 176.300 -0.244 0.000 1.067 544 M CA 1.498 56.650 55.300 -0.247 0.000 1.131 544 M CB -1.151 31.238 32.600 -0.351 0.000 1.368 544 M HN 0.599 nan 8.290 nan 0.000 0.416 545 E N 0.333 120.313 120.200 -0.367 0.000 2.047 545 E HA -0.146 4.206 4.350 0.003 0.000 0.191 545 E C 1.971 178.453 176.600 -0.198 0.000 0.987 545 E CA 1.368 57.585 56.400 -0.305 0.000 0.799 545 E CB 0.067 29.535 29.700 -0.386 0.000 0.752 545 E HN 0.385 nan 8.360 nan 0.000 0.449 546 A N 0.608 123.300 122.820 -0.214 0.000 1.940 546 A HA -0.185 4.137 4.320 0.003 0.000 0.219 546 A C 2.356 179.874 177.584 -0.111 0.000 1.176 546 A CA 1.861 53.805 52.037 -0.156 0.000 0.631 546 A CB -0.862 18.034 19.000 -0.173 0.000 0.814 546 A HN 0.350 nan 8.150 nan 0.000 0.446 547 S N -1.601 114.036 115.700 -0.105 0.000 2.399 547 S HA -0.186 4.286 4.470 0.003 0.000 0.231 547 S C 1.961 176.524 174.600 -0.062 0.000 1.022 547 S CA 1.403 59.565 58.200 -0.062 0.000 0.983 547 S CB -0.802 62.376 63.200 -0.037 0.000 0.803 547 S HN 0.715 nan 8.310 nan 0.000 0.480 548 C N 1.291 120.544 119.300 -0.079 0.000 2.466 548 C HA 0.089 4.551 4.460 0.003 0.000 0.278 548 C C 2.383 177.322 174.990 -0.085 0.000 1.288 548 C CA 1.007 59.982 59.018 -0.071 0.000 1.722 548 C CB -1.400 26.305 27.740 -0.058 0.000 2.017 548 C HN 0.690 nan 8.230 nan 0.000 0.488 549 E N 0.498 120.644 120.200 -0.090 0.000 2.058 549 E HA -0.230 4.122 4.350 0.003 0.000 0.194 549 E C 2.071 178.616 176.600 -0.092 0.000 0.997 549 E CA 1.571 57.912 56.400 -0.097 0.000 0.801 549 E CB -0.264 29.387 29.700 -0.081 0.000 0.746 549 E HN 0.635 nan 8.360 nan 0.000 0.450 550 L N 0.534 121.715 121.223 -0.070 0.000 1.989 550 L HA -0.246 4.096 4.340 0.003 0.000 0.211 550 L C 2.596 179.433 176.870 -0.054 0.000 1.071 550 L CA 1.167 55.977 54.840 -0.050 0.000 0.749 550 L CB -0.544 41.497 42.059 -0.029 0.000 0.890 550 L HN 0.184 nan 8.230 nan 0.000 0.431 551 A N -0.781 122.000 122.820 -0.065 0.000 1.986 551 A HA -0.298 4.024 4.320 0.003 0.000 0.220 551 A C 2.196 179.719 177.584 -0.102 0.000 1.171 551 A CA 1.891 53.877 52.037 -0.085 0.000 0.640 551 A CB -0.502 18.418 19.000 -0.133 0.000 0.811 551 A HN 0.540 nan 8.150 nan 0.000 0.451 552 Q N -0.680 119.036 119.800 -0.141 0.000 2.079 552 Q HA -0.140 4.202 4.340 0.003 0.000 0.200 552 Q C 2.089 178.010 176.000 -0.131 0.000 0.974 552 Q CA 1.615 57.292 55.803 -0.209 0.000 0.840 552 Q CB -0.119 28.425 28.738 -0.324 0.000 0.898 552 Q HN 0.688 nan 8.270 nan 0.000 0.430 553 K N 0.178 120.522 120.400 -0.093 0.000 2.031 553 K HA -0.081 4.241 4.320 0.003 0.000 0.205 553 K C 0.763 177.340 176.600 -0.039 0.000 1.049 553 K CA 1.129 57.381 56.287 -0.059 0.000 0.939 553 K CB 0.230 32.705 32.500 -0.042 0.000 0.717 553 K HN 0.125 nan 8.250 nan 0.000 0.438 554 D N -0.577 119.804 120.400 -0.033 0.000 2.469 554 D HA 0.156 4.798 4.640 0.003 0.000 0.215 554 D C 0.221 176.515 176.300 -0.012 0.000 1.154 554 D CA 0.257 54.249 54.000 -0.013 0.000 0.832 554 D CB 1.062 41.862 40.800 0.000 0.000 1.008 554 D HN 0.295 nan 8.370 nan 0.000 0.506 555 G N 2.280 111.063 108.800 -0.028 0.000 2.705 555 G HA2 -0.166 3.796 3.960 0.003 0.000 0.686 555 G HA3 -0.166 3.796 3.960 0.003 0.000 0.686 555 G C -2.900 171.970 174.900 -0.049 0.000 1.285 555 G CA -1.188 43.892 45.100 -0.033 0.000 0.800 555 G HN -0.093 nan 8.290 nan 0.000 0.611 556 P HA 0.365 nan 4.420 nan 0.000 0.271 556 P C 0.310 177.592 177.300 -0.029 0.000 1.244 556 P CA -0.199 62.798 63.100 -0.173 0.000 0.793 556 P CB 0.124 31.590 31.700 -0.388 0.000 0.984 557 Y N -1.579 118.736 120.300 0.025 0.000 2.385 557 Y HA 0.139 4.691 4.550 0.003 0.000 0.346 557 Y C 1.646 177.612 175.900 0.110 0.000 1.270 557 Y CA -0.241 57.903 58.100 0.073 0.000 1.472 557 Y CB -0.384 38.139 38.460 0.105 0.000 1.354 557 Y HN 0.436 nan 8.280 nan 0.000 0.611 558 E N 0.190 120.481 120.200 0.151 0.000 2.160 558 E HA -0.156 4.196 4.350 0.003 0.000 0.195 558 E C 1.221 177.846 176.600 0.041 0.000 0.991 558 E CA 1.880 58.321 56.400 0.068 0.000 0.810 558 E CB -0.140 29.600 29.700 0.065 0.000 0.742 558 E HN 0.852 nan 8.360 nan 0.000 0.466 559 T N -2.354 112.266 114.554 0.109 0.000 3.176 559 T HA 0.098 4.450 4.350 0.003 0.000 0.263 559 T C 1.080 175.708 174.700 -0.121 0.000 1.021 559 T CA -0.563 61.599 62.100 0.104 0.000 0.905 559 T CB -0.317 68.763 68.868 0.353 0.000 1.057 559 T HN 0.118 nan 8.240 nan 0.000 0.558 560 F N 2.257 121.717 119.950 -0.817 0.000 2.161 560 F HA 0.092 4.621 4.527 0.004 0.000 0.300 560 F C 1.108 176.757 175.800 -0.252 0.000 1.089 560 F CA 0.728 58.279 58.000 -0.749 0.000 1.282 560 F CB -0.256 38.234 39.000 -0.849 0.000 1.010 560 F HN 0.181 nan 8.300 nan 0.000 0.485 561 Q N 0.331 119.982 119.800 -0.247 0.000 2.289 561 Q HA 0.256 4.598 4.340 0.003 0.000 0.273 561 Q C 1.064 176.916 176.000 -0.246 0.000 1.029 561 Q CA 0.750 56.390 55.803 -0.272 0.000 0.896 561 Q CB 0.498 29.183 28.738 -0.088 0.000 1.182 561 Q HN 0.647 nan 8.270 nan 0.000 0.385 562 G N 1.866 110.499 108.800 -0.278 0.000 2.195 562 G HA2 -0.309 3.653 3.960 0.003 0.000 0.246 562 G HA3 -0.309 3.653 3.960 0.003 0.000 0.246 562 G C 0.251 175.039 174.900 -0.187 0.000 0.984 562 G CA 0.244 45.233 45.100 -0.184 0.000 0.633 562 G HN 0.737 nan 8.290 nan 0.000 0.525 563 S N 0.536 116.075 115.700 -0.269 0.000 2.593 563 S HA 0.559 5.031 4.470 0.003 0.000 0.269 563 S C -0.730 173.773 174.600 -0.161 0.000 1.334 563 S CA -0.342 57.754 58.200 -0.173 0.000 1.015 563 S CB 1.940 65.074 63.200 -0.109 0.000 0.912 563 S HN 0.021 nan 8.310 nan 0.000 0.541 564 P HA -0.048 nan 4.420 nan 0.000 0.216 564 P C 1.605 178.883 177.300 -0.037 0.000 1.150 564 P CA 1.854 64.924 63.100 -0.050 0.000 0.837 564 P CB -0.274 31.413 31.700 -0.021 0.000 0.786 565 A N 0.309 123.133 122.820 0.006 0.000 1.940 565 A HA -0.223 4.099 4.320 0.003 0.000 0.219 565 A C 2.362 179.971 177.584 0.041 0.000 1.176 565 A CA 2.457 54.552 52.037 0.097 0.000 0.631 565 A CB -1.711 17.451 19.000 0.270 0.000 0.814 565 A HN 0.361 nan 8.150 nan 0.000 0.446 566 S N -1.305 114.207 115.700 -0.314 0.000 2.474 566 S HA -0.087 4.385 4.470 0.003 0.000 0.235 566 S C 1.288 175.797 174.600 -0.153 0.000 0.997 566 S CA 1.081 58.978 58.200 -0.504 0.000 0.949 566 S CB -0.142 62.399 63.200 -1.099 0.000 0.766 566 S HN 0.515 nan 8.310 nan 0.000 0.517 567 Q N 0.656 120.392 119.800 -0.106 0.000 2.222 567 Q HA 0.340 4.682 4.340 0.003 0.000 0.206 567 Q C 1.264 177.262 176.000 -0.003 0.000 0.877 567 Q CA 0.450 56.223 55.803 -0.050 0.000 0.958 567 Q CB -0.107 28.595 28.738 -0.059 0.000 1.075 567 Q HN 0.731 nan 8.270 nan 0.000 0.483 568 G N 1.489 110.307 108.800 0.030 0.000 2.166 568 G HA2 -0.286 3.676 3.960 0.003 0.000 0.260 568 G HA3 -0.286 3.676 3.960 0.003 0.000 0.260 568 G C 0.191 175.108 174.900 0.028 0.000 0.986 568 G CA 0.135 45.269 45.100 0.056 0.000 0.683 568 G HN 0.408 nan 8.290 nan 0.000 0.527 569 I N 1.744 122.313 120.570 -0.001 0.000 2.282 569 I HA 0.362 4.534 4.170 0.003 0.000 0.290 569 I C 1.032 177.109 176.117 -0.066 0.000 1.090 569 I CA -0.601 60.676 61.300 -0.038 0.000 1.231 569 I CB 0.333 38.313 38.000 -0.033 0.000 1.434 569 I HN 0.035 nan 8.210 nan 0.000 0.487 570 L N 4.130 125.249 121.223 -0.175 0.000 2.488 570 L HA 0.305 4.647 4.340 0.003 0.000 0.249 570 L C 1.579 178.237 176.870 -0.355 0.000 1.151 570 L CA -0.648 54.053 54.840 -0.232 0.000 0.806 570 L CB 0.311 42.160 42.059 -0.350 0.000 1.261 570 L HN 0.406 nan 8.230 nan 0.000 0.484 571 Q N 0.995 120.659 119.800 -0.226 0.000 2.012 571 Q HA -0.263 4.079 4.340 0.003 0.000 0.211 571 Q C 1.773 177.681 176.000 -0.154 0.000 1.009 571 Q CA 2.834 58.536 55.803 -0.169 0.000 0.866 571 Q CB -0.556 28.036 28.738 -0.245 0.000 0.945 571 Q HN 0.586 nan 8.270 nan 0.000 0.414 572 F N -0.308 119.567 119.950 -0.126 0.000 2.154 572 F HA -0.171 4.358 4.527 0.003 0.000 0.301 572 F C 1.665 177.464 175.800 -0.002 0.000 1.087 572 F CA 1.303 59.186 58.000 -0.195 0.000 1.274 572 F CB -0.928 37.822 39.000 -0.418 0.000 1.009 572 F HN 0.062 nan 8.300 nan 0.000 0.485 573 D N 1.306 121.636 120.400 -0.117 0.000 2.106 573 D HA -0.240 4.402 4.640 0.003 0.000 0.191 573 D C 2.165 178.495 176.300 0.050 0.000 0.997 573 D CA 2.108 56.120 54.000 0.020 0.000 0.834 573 D CB -0.531 40.214 40.800 -0.091 0.000 0.956 573 D HN 0.405 nan 8.370 nan 0.000 0.448 574 M N -0.976 118.636 119.600 0.020 0.000 2.623 574 M HA -0.162 4.320 4.480 0.003 0.000 0.258 574 M C 0.788 177.048 176.300 -0.067 0.000 1.067 574 M CA 0.954 56.245 55.300 -0.015 0.000 1.068 574 M CB -0.095 32.484 32.600 -0.035 0.000 1.409 574 M HN 0.121 nan 8.290 nan 0.000 0.504 575 W N 0.003 121.252 121.300 -0.086 0.000 3.123 575 W HA 0.172 4.834 4.660 0.004 0.000 0.383 575 W C -0.295 176.187 176.519 -0.061 0.000 1.102 575 W CA -0.547 56.748 57.345 -0.084 0.000 1.865 575 W CB -0.312 29.085 29.460 -0.105 0.000 1.111 575 W HN 0.187 nan 8.180 nan 0.000 0.621 576 D N 1.562 122.040 120.400 0.130 0.000 2.886 576 D HA -0.230 4.412 4.640 0.003 0.000 0.221 576 D C -0.281 176.078 176.300 0.098 0.000 1.227 576 D CA 0.941 54.992 54.000 0.085 0.000 0.746 576 D CB -0.896 39.922 40.800 0.029 0.000 0.935 576 D HN 0.299 nan 8.370 nan 0.000 0.399 577 Q N 0.092 119.968 119.800 0.126 0.000 2.340 577 Q HA 0.274 4.616 4.340 0.003 0.000 0.276 577 Q C -0.425 175.612 176.000 0.061 0.000 1.048 577 Q CA -1.178 54.669 55.803 0.073 0.000 0.832 577 Q CB 2.070 30.829 28.738 0.035 0.000 1.373 577 Q HN -0.010 nan 8.270 nan 0.000 0.409 578 K N 2.416 122.807 120.400 -0.015 0.000 2.270 578 K HA 0.330 4.652 4.320 0.003 0.000 0.276 578 K C -2.210 174.221 176.600 -0.282 0.000 1.023 578 K CA -1.513 54.718 56.287 -0.093 0.000 0.955 578 K CB 0.204 32.674 32.500 -0.050 0.000 0.975 578 K HN 0.396 nan 8.250 nan 0.000 0.471 579 P HA -0.044 nan 4.420 nan 0.000 0.272 579 P C 0.496 177.735 177.300 -0.102 0.000 1.230 579 P CA -0.126 62.560 63.100 -0.690 0.000 0.788 579 P CB 0.385 31.319 31.700 -1.277 0.000 0.949 580 Y N 1.756 122.065 120.300 0.015 0.000 2.315 580 Y HA -0.113 4.439 4.550 0.003 0.000 0.288 580 Y C 1.677 177.581 175.900 0.006 0.000 1.154 580 Y CA 1.945 60.059 58.100 0.024 0.000 1.229 580 Y CB -0.539 37.949 38.460 0.046 0.000 0.980 580 Y HN 0.689 nan 8.280 nan 0.000 0.540 581 G N 0.471 109.275 108.800 0.008 0.000 2.149 581 G HA2 -0.358 3.604 3.960 0.003 0.000 0.235 581 G HA3 -0.358 3.604 3.960 0.003 0.000 0.235 581 G C 0.802 175.572 174.900 -0.218 0.000 1.018 581 G CA 0.366 45.429 45.100 -0.061 0.000 0.728 581 G HN 0.524 nan 8.290 nan 0.000 0.508 582 M N -1.391 118.111 119.600 -0.165 0.000 2.394 582 M HA 0.281 4.763 4.480 0.003 0.000 0.264 582 M C 0.582 176.414 176.300 -0.779 0.000 1.073 582 M CA 0.993 56.045 55.300 -0.412 0.000 1.111 582 M CB 0.054 32.474 32.600 -0.300 0.000 1.401 582 M HN 0.348 nan 8.290 nan 0.000 0.448 583 W N -0.292 120.790 121.300 -0.363 0.000 2.820 583 W HA 0.295 4.957 4.660 0.003 0.000 0.350 583 W C -0.667 175.500 176.519 -0.588 0.000 1.116 583 W CA -0.820 56.096 57.345 -0.715 0.000 1.146 583 W CB 0.494 29.062 29.460 -1.486 0.000 1.433 583 W HN -0.087 nan 8.180 nan 0.000 0.561 584 D N 0.736 120.984 120.400 -0.254 0.000 2.453 584 D HA 0.073 4.715 4.640 0.003 0.000 0.223 584 D C 0.200 176.541 176.300 0.068 0.000 1.183 584 D CA -0.316 53.656 54.000 -0.047 0.000 0.933 584 D CB 0.147 40.938 40.800 -0.015 0.000 1.038 584 D HN 0.370 nan 8.370 nan 0.000 0.513 585 W N 2.050 123.485 121.300 0.226 0.000 2.436 585 W HA -0.053 4.609 4.660 0.004 0.000 0.284 585 W C 1.662 178.322 176.519 0.234 0.000 1.225 585 W CA 0.152 57.686 57.345 0.315 0.000 1.271 585 W CB 0.242 29.911 29.460 0.349 0.000 1.114 585 W HN 0.339 nan 8.180 nan 0.000 0.559 586 D N -0.592 120.023 120.400 0.359 0.000 2.097 586 D HA -0.162 4.480 4.640 0.003 0.000 0.195 586 D C 2.060 178.476 176.300 0.193 0.000 0.989 586 D CA 2.065 56.212 54.000 0.245 0.000 0.827 586 D CB -1.049 39.849 40.800 0.163 0.000 0.966 586 D HN 0.034 nan 8.370 nan 0.000 0.456 587 T N 1.198 115.848 114.554 0.160 0.000 2.746 587 T HA -0.128 4.224 4.350 0.003 0.000 0.267 587 T C 1.840 176.613 174.700 0.120 0.000 1.039 587 T CA 0.485 62.654 62.100 0.116 0.000 1.142 587 T CB -0.294 68.629 68.868 0.091 0.000 0.866 587 T HN 0.009 nan 8.240 nan 0.000 0.444 588 L N 1.324 122.634 121.223 0.145 0.000 2.027 588 L HA 0.089 4.431 4.340 0.003 0.000 0.206 588 L C 2.493 179.453 176.870 0.150 0.000 1.074 588 L CA 1.698 56.597 54.840 0.098 0.000 0.745 588 L CB -0.701 41.364 42.059 0.011 0.000 0.898 588 L HN 0.061 nan 8.230 nan 0.000 0.433 589 R N -0.362 120.282 120.500 0.241 0.000 2.105 589 R HA -0.223 4.119 4.340 0.003 0.000 0.239 589 R C 2.414 178.802 176.300 0.145 0.000 1.135 589 R CA 1.777 58.006 56.100 0.215 0.000 0.967 589 R CB -0.218 30.229 30.300 0.246 0.000 0.861 589 R HN 0.420 nan 8.270 nan 0.000 0.442 590 K N 0.338 120.814 120.400 0.127 0.000 2.026 590 K HA -0.180 4.142 4.320 0.003 0.000 0.208 590 K C 1.091 177.723 176.600 0.054 0.000 1.048 590 K CA 2.094 58.431 56.287 0.083 0.000 0.929 590 K CB -0.096 32.449 32.500 0.076 0.000 0.713 590 K HN 0.119 nan 8.250 nan 0.000 0.439 591 D N 0.889 121.329 120.400 0.068 0.000 2.144 591 D HA -0.090 4.552 4.640 0.003 0.000 0.200 591 D C 2.052 178.393 176.300 0.068 0.000 0.978 591 D CA 0.968 55.011 54.000 0.072 0.000 0.833 591 D CB -0.116 40.752 40.800 0.113 0.000 0.961 591 D HN 0.325 nan 8.370 nan 0.000 0.470 592 I N 0.479 121.100 120.570 0.085 0.000 2.226 592 I HA -0.239 3.933 4.170 0.003 0.000 0.245 592 I C 2.383 178.597 176.117 0.161 0.000 1.100 592 I CA 0.875 62.236 61.300 0.102 0.000 1.374 592 I CB -0.196 37.892 38.000 0.147 0.000 1.057 592 I HN -0.041 nan 8.210 nan 0.000 0.413 593 M N 0.123 119.814 119.600 0.151 0.000 2.175 593 M HA -0.190 4.292 4.480 0.003 0.000 0.264 593 M C 2.294 178.651 176.300 0.094 0.000 1.063 593 M CA 1.518 56.918 55.300 0.167 0.000 1.119 593 M CB -0.344 32.316 32.600 0.099 0.000 1.377 593 M HN 0.012 nan 8.290 nan 0.000 0.415 594 K N 0.104 120.483 120.400 -0.035 0.000 2.031 594 K HA -0.098 4.224 4.320 0.003 0.000 0.205 594 K C 1.190 177.636 176.600 -0.258 0.000 1.049 594 K CA 1.821 57.982 56.287 -0.210 0.000 0.939 594 K CB -0.127 32.120 32.500 -0.421 0.000 0.717 594 K HN 0.462 nan 8.250 nan 0.000 0.438 595 H N -1.728 117.323 119.070 -0.031 0.000 2.885 595 H HA 0.363 4.921 4.556 0.003 0.000 0.260 595 H C 0.421 175.579 175.328 -0.282 0.000 0.985 595 H CA -0.108 55.876 56.048 -0.107 0.000 1.210 595 H CB 1.117 30.827 29.762 -0.086 0.000 1.466 595 H HN 0.400 nan 8.280 nan 0.000 0.493 596 G N 0.725 109.300 108.800 -0.376 0.000 2.728 596 G HA2 -0.139 3.823 3.960 0.003 0.000 0.294 596 G HA3 -0.139 3.823 3.960 0.003 0.000 0.294 596 G C -0.628 173.943 174.900 -0.549 0.000 1.342 596 G CA -0.446 43.958 45.100 -1.160 0.000 0.866 596 G HN 0.509 nan 8.290 nan 0.000 0.534 597 V N -3.236 116.375 119.914 -0.505 0.000 3.074 597 V HA 0.877 5.000 4.120 0.003 0.000 0.314 597 V C 1.195 177.318 176.094 0.048 0.000 1.117 597 V CA -0.129 62.119 62.300 -0.088 0.000 1.014 597 V CB 1.813 33.691 31.823 0.092 0.000 1.057 597 V HN 1.121 nan 8.190 nan 0.000 0.438 598 R N 0.798 121.341 120.500 0.071 0.000 2.200 598 R HA 0.243 4.585 4.340 0.003 0.000 0.208 598 R C 0.183 176.577 176.300 0.156 0.000 1.033 598 R CA 0.831 57.002 56.100 0.119 0.000 1.000 598 R CB -0.190 30.135 30.300 0.042 0.000 0.906 598 R HN 0.941 nan 8.270 nan 0.000 0.462 599 N N -1.376 117.370 118.700 0.076 0.000 2.284 599 N HA 0.108 4.850 4.740 0.003 0.000 0.300 599 N C 0.025 175.347 175.510 -0.313 0.000 1.047 599 N CA -0.137 52.842 53.050 -0.120 0.000 0.821 599 N CB 2.160 40.620 38.487 -0.045 0.000 1.337 599 N HN -0.052 nan 8.380 nan 0.000 0.482 600 S N 1.111 116.387 115.700 -0.708 0.000 2.423 600 S HA 0.058 4.530 4.470 0.003 0.000 0.231 600 S C 0.405 174.928 174.600 -0.129 0.000 1.014 600 S CA 0.682 58.503 58.200 -0.633 0.000 0.965 600 S CB -0.251 62.602 63.200 -0.577 0.000 0.785 600 S HN 0.444 nan 8.310 nan 0.000 0.495 601 L N -0.422 120.755 121.223 -0.077 0.000 2.540 601 L HA 0.491 4.833 4.340 0.003 0.000 0.256 601 L C 0.520 177.416 176.870 0.044 0.000 1.001 601 L CA -0.049 54.807 54.840 0.026 0.000 0.843 601 L CB 2.330 44.398 42.059 0.015 0.000 1.436 601 L HN 0.186 nan 8.230 nan 0.000 0.410 602 T N -3.642 110.974 114.554 0.103 0.000 3.051 602 T HA 0.365 4.717 4.350 0.003 0.000 0.254 602 T C 0.179 174.942 174.700 0.104 0.000 0.916 602 T CA -0.161 61.998 62.100 0.099 0.000 0.894 602 T CB 0.461 69.406 68.868 0.128 0.000 1.251 602 T HN 0.232 nan 8.240 nan 0.000 0.517 603 M N 1.942 121.617 119.600 0.125 0.000 2.243 603 M HA 0.772 5.254 4.480 0.003 0.000 0.324 603 M C -1.052 175.297 176.300 0.082 0.000 1.031 603 M CA -0.682 54.686 55.300 0.113 0.000 0.949 603 M CB 1.482 34.158 32.600 0.127 0.000 1.615 603 M HN 0.336 nan 8.290 nan 0.000 0.430 604 A N 4.489 127.365 122.820 0.093 0.000 3.307 604 A HA 0.603 4.925 4.320 0.003 0.000 0.289 604 A C -2.740 174.933 177.584 0.148 0.000 1.138 604 A CA -1.132 50.964 52.037 0.099 0.000 0.860 604 A CB 0.213 19.253 19.000 0.067 0.000 1.318 604 A HN 0.445 nan 8.150 nan 0.000 0.551 605 P HA 0.082 nan 4.420 nan 0.000 0.260 605 P C 0.208 177.740 177.300 0.386 0.000 1.172 605 P CA 0.812 64.114 63.100 0.338 0.000 0.760 605 P CB 0.298 32.233 31.700 0.392 0.000 0.773 606 M N 4.575 124.343 119.600 0.280 0.000 2.821 606 M HA 0.526 5.008 4.480 0.003 0.000 0.304 606 M C -2.280 174.083 176.300 0.105 0.000 1.233 606 M CA -2.718 52.680 55.300 0.163 0.000 0.851 606 M CB 0.230 32.883 32.600 0.087 0.000 1.723 606 M HN -0.092 nan 8.290 nan 0.000 0.493 607 P HA -0.060 nan 4.420 nan 0.000 0.221 607 P C 0.190 177.495 177.300 0.009 0.000 1.145 607 P CA 2.537 65.647 63.100 0.017 0.000 0.795 607 P CB -0.348 31.409 31.700 0.095 0.000 0.775 608 T N -4.404 110.173 114.554 0.037 0.000 3.935 608 T HA -0.317 4.035 4.350 0.003 0.000 0.346 608 T C 1.136 175.863 174.700 0.045 0.000 0.758 608 T CA 0.532 62.658 62.100 0.044 0.000 1.874 608 T CB -2.283 66.612 68.868 0.046 0.000 1.875 608 T HN 0.303 nan 8.240 nan 0.000 0.802 609 A N 1.198 124.051 122.820 0.055 0.000 1.884 609 A HA -0.056 4.266 4.320 0.003 0.000 0.219 609 A C 2.618 180.236 177.584 0.056 0.000 1.197 609 A CA 2.413 54.486 52.037 0.060 0.000 0.637 609 A CB -0.974 18.070 19.000 0.074 0.000 0.827 609 A HN 0.913 nan 8.150 nan 0.000 0.450 610 S N -1.083 114.658 115.700 0.069 0.000 2.456 610 S HA -0.047 4.425 4.470 0.003 0.000 0.224 610 S C 2.037 176.633 174.600 -0.006 0.000 1.035 610 S CA 1.222 59.464 58.200 0.069 0.000 0.940 610 S CB -0.356 62.951 63.200 0.178 0.000 0.799 610 S HN 0.857 nan 8.310 nan 0.000 0.508 611 T N 1.787 116.334 114.554 -0.011 0.000 2.904 611 T HA -0.082 4.270 4.350 0.003 0.000 0.267 611 T C 2.117 176.810 174.700 -0.011 0.000 1.059 611 T CA 1.301 63.369 62.100 -0.052 0.000 1.137 611 T CB -0.693 68.163 68.868 -0.020 0.000 0.879 611 T HN 0.469 nan 8.240 nan 0.000 0.467 612 S N 1.827 117.545 115.700 0.030 0.000 2.370 612 S HA -0.259 4.213 4.470 0.003 0.000 0.226 612 S C 2.233 176.846 174.600 0.021 0.000 1.033 612 S CA 1.204 59.442 58.200 0.064 0.000 1.011 612 S CB -0.759 62.489 63.200 0.081 0.000 0.852 612 S HN 0.562 nan 8.310 nan 0.000 0.457 613 Q N 0.597 120.393 119.800 -0.006 0.000 2.119 613 Q HA 0.041 4.383 4.340 0.003 0.000 0.201 613 Q C 2.182 178.160 176.000 -0.037 0.000 0.972 613 Q CA 1.583 57.376 55.803 -0.017 0.000 0.847 613 Q CB -0.337 28.392 28.738 -0.015 0.000 0.903 613 Q HN 0.676 nan 8.270 nan 0.000 0.433 614 I N 0.297 120.816 120.570 -0.085 0.000 2.113 614 I HA -0.295 3.877 4.170 0.003 0.000 0.238 614 I C 1.822 177.936 176.117 -0.005 0.000 1.070 614 I CA 1.135 62.365 61.300 -0.116 0.000 1.332 614 I CB -0.244 37.608 38.000 -0.248 0.000 1.044 614 I HN 0.223 nan 8.210 nan 0.000 0.402 615 L N 0.834 122.024 121.223 -0.055 0.000 2.552 615 L HA 0.107 4.449 4.340 0.003 0.000 0.227 615 L C 1.270 177.862 176.870 -0.463 0.000 1.146 615 L CA 0.468 55.195 54.840 -0.188 0.000 0.858 615 L CB -1.019 40.963 42.059 -0.128 0.000 0.969 615 L HN 0.561 nan 8.230 nan 0.000 0.451 616 G N -0.009 108.637 108.800 -0.257 0.000 2.314 616 G HA2 -0.303 3.659 3.960 0.003 0.000 0.292 616 G HA3 -0.303 3.659 3.960 0.003 0.000 0.292 616 G C -0.281 174.451 174.900 -0.280 0.000 1.059 616 G CA 0.007 44.974 45.100 -0.222 0.000 0.982 616 G HN 0.407 nan 8.290 nan 0.000 0.505 617 Y N -0.966 119.372 120.300 0.063 0.000 2.659 617 Y HA 0.519 5.071 4.550 0.003 0.000 0.333 617 Y C 0.706 176.657 175.900 0.086 0.000 1.064 617 Y CA -1.338 56.815 58.100 0.089 0.000 1.141 617 Y CB 1.116 39.617 38.460 0.069 0.000 1.316 617 Y HN 0.142 nan 8.280 nan 0.000 0.509 618 N N 1.194 120.074 118.700 0.301 0.000 2.530 618 N HA 0.021 4.763 4.740 0.003 0.000 0.273 618 N C -1.049 174.546 175.510 0.142 0.000 1.173 618 N CA -0.223 52.947 53.050 0.201 0.000 0.967 618 N CB 0.739 39.352 38.487 0.209 0.000 1.109 618 N HN 0.647 nan 8.380 nan 0.000 0.453 619 E N 1.573 121.833 120.200 0.099 0.000 2.568 619 E HA -0.085 4.267 4.350 0.003 0.000 0.262 619 E C 1.407 177.988 176.600 -0.033 0.000 0.961 619 E CA 0.247 56.669 56.400 0.037 0.000 0.945 619 E CB -0.135 29.581 29.700 0.026 0.000 0.924 619 E HN 0.741 nan 8.360 nan 0.000 0.467 620 C N 2.382 121.644 119.300 -0.064 0.000 2.667 620 C HA -0.350 4.112 4.460 0.003 0.000 0.197 620 C C 1.330 176.305 174.990 -0.026 0.000 1.333 620 C CA 1.453 60.385 59.018 -0.143 0.000 1.783 620 C CB -1.733 25.650 27.740 -0.595 0.000 1.910 620 C HN 0.932 nan 8.230 nan 0.000 0.491 621 F N 2.947 123.036 119.950 0.231 0.000 2.764 621 F HA 0.530 5.059 4.527 0.003 0.000 0.310 621 F C 0.378 176.393 175.800 0.359 0.000 1.124 621 F CA -0.133 58.036 58.000 0.282 0.000 1.252 621 F CB -0.928 38.266 39.000 0.324 0.000 1.010 621 F HN 0.850 nan 8.300 nan 0.000 0.518 622 E N 1.153 121.458 120.200 0.176 0.000 2.242 622 E HA 0.508 4.860 4.350 0.003 0.000 0.275 622 E C -2.879 173.719 176.600 -0.004 0.000 1.002 622 E CA -2.344 54.136 56.400 0.133 0.000 0.841 622 E CB 1.007 30.738 29.700 0.051 0.000 1.109 622 E HN -0.056 nan 8.360 nan 0.000 0.394 623 P HA -0.088 nan 4.420 nan 0.000 0.271 623 P C -0.250 176.912 177.300 -0.229 0.000 1.238 623 P CA -0.356 62.465 63.100 -0.465 0.000 0.794 623 P CB 0.283 31.492 31.700 -0.819 0.000 0.959 624 V N -1.341 118.527 119.914 -0.076 0.000 2.872 624 V HA 0.086 4.208 4.120 0.003 0.000 0.307 624 V C 1.285 177.277 176.094 -0.169 0.000 1.072 624 V CA 0.819 63.108 62.300 -0.019 0.000 1.148 624 V CB -0.208 31.681 31.823 0.111 0.000 0.954 624 V HN 0.776 nan 8.190 nan 0.000 0.490 625 T N 0.571 115.030 114.554 -0.158 0.000 2.978 625 T HA 0.182 4.534 4.350 0.003 0.000 0.262 625 T C 0.883 175.557 174.700 -0.043 0.000 1.063 625 T CA 0.723 62.690 62.100 -0.222 0.000 1.140 625 T CB -0.201 68.543 68.868 -0.207 0.000 0.886 625 T HN 1.463 nan 8.240 nan 0.000 0.470 626 S N -0.296 115.354 115.700 -0.083 0.000 2.705 626 S HA 0.461 4.933 4.470 0.003 0.000 0.280 626 S C -0.363 174.256 174.600 0.031 0.000 1.174 626 S CA -0.970 57.222 58.200 -0.014 0.000 0.823 626 S CB 1.133 64.291 63.200 -0.070 0.000 1.162 626 S HN 0.040 nan 8.310 nan 0.000 0.487 627 N N -0.134 118.593 118.700 0.046 0.000 2.254 627 N HA 0.200 4.942 4.740 0.003 0.000 0.190 627 N C 0.465 175.994 175.510 0.032 0.000 1.107 627 N CA 0.211 53.286 53.050 0.042 0.000 0.869 627 N CB 0.097 38.600 38.487 0.028 0.000 0.983 627 N HN 0.466 nan 8.380 nan 0.000 0.487 628 M N -0.388 119.233 119.600 0.035 0.000 2.371 628 M HA 0.099 4.581 4.480 0.003 0.000 0.246 628 M C 0.715 177.061 176.300 0.076 0.000 1.103 628 M CA -0.546 54.775 55.300 0.036 0.000 1.010 628 M CB -0.723 31.886 32.600 0.015 0.000 1.457 628 M HN 0.055 nan 8.290 nan 0.000 0.486 629 Y N 1.384 121.673 120.300 -0.018 0.000 1.371 629 Y HA -0.498 4.054 4.550 0.003 0.000 0.090 629 Y C 1.064 176.949 175.900 -0.026 0.000 0.645 629 Y CA 2.553 60.646 58.100 -0.011 0.000 0.338 629 Y CB -0.642 37.806 38.460 -0.020 0.000 0.530 629 Y HN 0.453 nan 8.280 nan 0.000 0.788 639 Q N -0.103 119.646 119.800 -0.085 0.000 2.436 639 Q HA -0.114 4.228 4.340 0.003 0.000 0.362 639 Q C -1.624 174.323 176.000 -0.088 0.000 1.423 639 Q CA 0.603 56.343 55.803 -0.107 0.000 1.014 639 Q CB -2.233 26.401 28.738 -0.173 0.000 1.177 639 Q HN 0.185 nan 8.270 nan 0.000 0.324 640 V N 1.703 121.543 119.914 -0.123 0.000 2.483 640 V HA 0.684 4.806 4.120 0.003 0.000 0.295 640 V C 0.230 176.281 176.094 -0.072 0.000 1.035 640 V CA -0.566 61.644 62.300 -0.150 0.000 0.896 640 V CB 1.919 33.509 31.823 -0.389 0.000 0.986 640 V HN 0.613 nan 8.190 nan 0.000 0.447 641 V N 5.386 125.269 119.914 -0.052 0.000 2.607 641 V HA 0.381 4.503 4.120 0.003 0.000 0.289 641 V C 0.609 176.635 176.094 -0.114 0.000 1.053 641 V CA -0.623 61.646 62.300 -0.052 0.000 0.996 641 V CB 1.501 33.307 31.823 -0.030 0.000 0.995 641 V HN 0.996 nan 8.190 nan 0.000 0.476 642 N N 7.004 125.639 118.700 -0.110 0.000 2.236 642 N HA 0.007 4.749 4.740 0.003 0.000 0.274 642 N C -1.801 173.541 175.510 -0.280 0.000 1.339 642 N CA -0.633 52.317 53.050 -0.166 0.000 0.845 642 N CB 1.234 39.630 38.487 -0.153 0.000 1.091 642 N HN 0.489 nan 8.380 nan 0.000 0.489 643 P HA -0.109 nan 4.420 nan 0.000 0.217 643 P C 0.579 177.662 177.300 -0.361 0.000 1.150 643 P CA 1.473 64.328 63.100 -0.408 0.000 0.832 643 P CB -0.014 31.390 31.700 -0.493 0.000 0.787 644 Y N -1.360 118.918 120.300 -0.037 0.000 2.220 644 Y HA -0.097 4.455 4.550 0.003 0.000 0.291 644 Y C 2.321 178.170 175.900 -0.085 0.000 1.129 644 Y CA -0.038 58.080 58.100 0.030 0.000 1.161 644 Y CB -1.249 37.332 38.460 0.202 0.000 0.997 644 Y HN -0.119 nan 8.280 nan 0.000 0.522 645 L N 0.338 121.345 121.223 -0.360 0.000 1.943 645 L HA -0.205 4.137 4.340 0.003 0.000 0.215 645 L C 2.336 179.055 176.870 -0.253 0.000 1.074 645 L CA 1.477 55.967 54.840 -0.583 0.000 0.759 645 L CB -1.150 40.464 42.059 -0.742 0.000 0.888 645 L HN 0.266 nan 8.230 nan 0.000 0.433 646 L N -0.058 120.977 121.223 -0.313 0.000 2.010 646 L HA -0.311 4.031 4.340 0.003 0.000 0.219 646 L C 2.769 179.446 176.870 -0.321 0.000 1.077 646 L CA 2.482 57.058 54.840 -0.439 0.000 0.773 646 L CB -0.737 41.020 42.059 -0.503 0.000 0.892 646 L HN 0.517 nan 8.230 nan 0.000 0.436 647 R N 0.105 120.493 120.500 -0.186 0.000 2.143 647 R HA -0.245 4.097 4.340 0.003 0.000 0.239 647 R C 1.953 178.231 176.300 -0.036 0.000 1.126 647 R CA 2.520 58.569 56.100 -0.085 0.000 0.927 647 R CB -1.223 29.080 30.300 0.004 0.000 0.860 647 R HN 0.499 nan 8.270 nan 0.000 0.433 648 D N 0.098 120.515 120.400 0.028 0.000 2.149 648 D HA -0.147 4.495 4.640 0.003 0.000 0.198 648 D C 1.995 178.330 176.300 0.060 0.000 0.990 648 D CA 1.505 55.554 54.000 0.082 0.000 0.839 648 D CB -0.198 40.714 40.800 0.188 0.000 0.948 648 D HN 0.316 nan 8.370 nan 0.000 0.460 649 L N 0.294 121.528 121.223 0.019 0.000 2.131 649 L HA -0.128 4.214 4.340 0.003 0.000 0.210 649 L C 2.363 179.290 176.870 0.096 0.000 1.092 649 L CA 0.546 55.434 54.840 0.080 0.000 0.759 649 L CB -0.161 41.969 42.059 0.119 0.000 0.903 649 L HN -0.018 nan 8.230 nan 0.000 0.435 650 V N -0.819 119.088 119.914 -0.012 0.000 2.407 650 V HA -0.206 3.916 4.120 0.003 0.000 0.245 650 V C 1.895 178.014 176.094 0.041 0.000 1.041 650 V CA 1.539 63.850 62.300 0.019 0.000 1.040 650 V CB -0.482 31.303 31.823 -0.064 0.000 0.671 650 V HN 0.336 nan 8.190 nan 0.000 0.455 651 D N 0.682 121.099 120.400 0.029 0.000 2.190 651 D HA -0.140 4.502 4.640 0.003 0.000 0.200 651 D C 1.705 178.034 176.300 0.049 0.000 0.992 651 D CA 1.344 55.367 54.000 0.038 0.000 0.854 651 D CB -0.204 40.621 40.800 0.041 0.000 0.936 651 D HN 0.374 nan 8.370 nan 0.000 0.462 652 L N -0.920 120.341 121.223 0.063 0.000 2.592 652 L HA 0.266 4.608 4.340 0.003 0.000 0.227 652 L C 1.459 178.372 176.870 0.072 0.000 1.127 652 L CA 0.042 54.920 54.840 0.065 0.000 0.884 652 L CB -0.064 42.038 42.059 0.071 0.000 1.065 652 L HN 0.046 nan 8.230 nan 0.000 0.457 653 G N 1.849 110.699 108.800 0.084 0.000 2.337 653 G HA2 -0.314 3.648 3.960 0.003 0.000 0.290 653 G HA3 -0.314 3.648 3.960 0.003 0.000 0.290 653 G C 0.788 175.754 174.900 0.111 0.000 1.003 653 G CA 0.995 46.154 45.100 0.098 0.000 0.825 653 G HN 0.682 nan 8.290 nan 0.000 0.509 654 I N -3.977 116.672 120.570 0.131 0.000 3.861 654 I HA 0.339 4.511 4.170 0.003 0.000 0.329 654 I C 0.986 177.197 176.117 0.157 0.000 1.321 654 I CA -0.895 60.471 61.300 0.109 0.000 1.126 654 I CB 0.300 38.349 38.000 0.081 0.000 1.018 654 I HN 0.285 nan 8.210 nan 0.000 0.407 655 W N 5.435 126.738 121.300 0.005 0.000 2.357 655 W HA 0.329 4.990 4.660 0.003 0.000 0.317 655 W C -1.140 175.382 176.519 0.004 0.000 1.101 655 W CA -0.380 56.968 57.345 0.004 0.000 1.380 655 W CB 0.708 30.172 29.460 0.006 0.000 1.266 655 W HN 0.381 nan 8.180 nan 0.000 0.419 656 D N 1.935 122.086 120.400 -0.415 0.000 2.846 656 D HA 0.161 4.803 4.640 0.003 0.000 0.273 656 D C 0.611 176.539 176.300 -0.620 0.000 1.145 656 D CA -0.415 53.317 54.000 -0.446 0.000 1.091 656 D CB 0.498 41.182 40.800 -0.193 0.000 1.364 656 D HN 0.120 nan 8.370 nan 0.000 0.613 657 E N -0.559 119.418 120.200 -0.370 0.000 2.204 657 E HA 0.049 4.401 4.350 0.003 0.000 0.194 657 E C 2.059 178.505 176.600 -0.257 0.000 0.989 657 E CA 1.655 57.868 56.400 -0.312 0.000 0.824 657 E CB -0.818 28.775 29.700 -0.177 0.000 0.756 657 E HN 0.577 nan 8.360 nan 0.000 0.477 658 G N 0.322 109.000 108.800 -0.204 0.000 2.442 658 G HA2 -0.255 3.707 3.960 0.003 0.000 0.219 658 G HA3 -0.255 3.707 3.960 0.003 0.000 0.219 658 G C 1.502 176.333 174.900 -0.114 0.000 1.141 658 G CA 1.024 46.051 45.100 -0.123 0.000 0.763 658 G HN 0.191 nan 8.290 nan 0.000 0.554 659 M N 0.082 119.546 119.600 -0.228 0.000 2.099 659 M HA 0.035 4.517 4.480 0.003 0.000 0.262 659 M C 2.497 178.685 176.300 -0.188 0.000 1.067 659 M CA 1.006 56.190 55.300 -0.193 0.000 1.124 659 M CB -0.733 31.712 32.600 -0.258 0.000 1.353 659 M HN 0.124 nan 8.290 nan 0.000 0.410 660 K N 0.400 120.522 120.400 -0.464 0.000 2.057 660 K HA -0.183 4.139 4.320 0.003 0.000 0.207 660 K C 1.967 178.517 176.600 -0.083 0.000 1.049 660 K CA 1.402 57.521 56.287 -0.280 0.000 0.931 660 K CB -0.215 32.072 32.500 -0.355 0.000 0.714 660 K HN 0.415 nan 8.250 nan 0.000 0.440 661 Q N -0.682 119.064 119.800 -0.089 0.000 2.083 661 Q HA -0.168 4.174 4.340 0.003 0.000 0.198 661 Q C 1.961 177.956 176.000 -0.009 0.000 0.969 661 Q CA 1.168 56.942 55.803 -0.048 0.000 0.838 661 Q CB -0.135 28.572 28.738 -0.053 0.000 0.900 661 Q HN 0.323 nan 8.270 nan 0.000 0.436 662 Y N 0.918 121.177 120.300 -0.069 0.000 2.256 662 Y HA -0.235 4.317 4.550 0.003 0.000 0.288 662 Y C 1.835 177.724 175.900 -0.019 0.000 1.155 662 Y CA 1.312 59.389 58.100 -0.039 0.000 1.203 662 Y CB -0.082 38.361 38.460 -0.029 0.000 0.980 662 Y HN 0.095 nan 8.280 nan 0.000 0.530 663 L N -0.981 120.314 121.223 0.121 0.000 2.072 663 L HA -0.189 4.153 4.340 0.003 0.000 0.205 663 L C 2.290 179.143 176.870 -0.030 0.000 1.079 663 L CA 1.135 56.023 54.840 0.080 0.000 0.752 663 L CB -0.424 41.720 42.059 0.142 0.000 0.906 663 L HN 0.234 nan 8.230 nan 0.000 0.436 664 I N -0.645 119.898 120.570 -0.046 0.000 2.127 664 I HA -0.329 3.843 4.170 0.003 0.000 0.241 664 I C 2.537 178.578 176.117 -0.128 0.000 1.075 664 I CA 1.616 62.870 61.300 -0.078 0.000 1.334 664 I CB -0.464 37.492 38.000 -0.073 0.000 1.040 664 I HN 0.213 nan 8.210 nan 0.000 0.405 665 T N 0.195 114.645 114.554 -0.172 0.000 2.570 665 T HA -0.246 4.106 4.350 0.003 0.000 0.266 665 T C 1.549 176.073 174.700 -0.294 0.000 1.071 665 T CA 1.428 63.384 62.100 -0.241 0.000 1.172 665 T CB -0.166 68.518 68.868 -0.306 0.000 0.864 665 T HN 0.281 nan 8.240 nan 0.000 0.421 666 Q N 1.691 121.237 119.800 -0.422 0.000 2.247 666 Q HA 0.108 4.450 4.340 0.003 0.000 0.205 666 Q C 0.236 176.131 176.000 -0.174 0.000 0.896 666 Q CA -0.094 55.502 55.803 -0.345 0.000 0.950 666 Q CB -0.778 27.657 28.738 -0.504 0.000 1.054 666 Q HN 0.799 nan 8.270 nan 0.000 0.482 667 N N 0.097 118.710 118.700 -0.145 0.000 2.696 667 N HA -0.290 4.452 4.740 0.003 0.000 0.271 667 N C 0.636 176.116 175.510 -0.050 0.000 0.997 667 N CA 0.735 53.728 53.050 -0.095 0.000 0.801 667 N CB -1.567 36.851 38.487 -0.115 0.000 0.913 667 N HN 0.469 nan 8.380 nan 0.000 0.557 668 G N -1.569 107.226 108.800 -0.008 0.000 2.195 668 G HA2 -0.315 3.647 3.960 0.003 0.000 0.246 668 G HA3 -0.315 3.647 3.960 0.003 0.000 0.246 668 G C -0.054 174.897 174.900 0.086 0.000 0.984 668 G CA 0.412 45.535 45.100 0.039 0.000 0.633 668 G HN 1.062 nan 8.290 nan 0.000 0.525 669 S N 0.325 116.078 115.700 0.088 0.000 2.489 669 S HA 0.580 5.052 4.470 0.003 0.000 0.277 669 S C 1.512 176.253 174.600 0.235 0.000 1.230 669 S CA -0.065 58.220 58.200 0.141 0.000 1.053 669 S CB 0.456 63.720 63.200 0.107 0.000 0.955 669 S HN 1.021 nan 8.310 nan 0.000 0.488 670 I N 1.734 122.435 120.570 0.217 0.000 3.956 670 I HA 0.313 4.485 4.170 0.003 0.000 0.333 670 I C 0.606 176.816 176.117 0.156 0.000 1.302 670 I CA -0.592 60.835 61.300 0.211 0.000 1.122 670 I CB -0.017 38.096 38.000 0.188 0.000 1.013 670 I HN 0.385 nan 8.210 nan 0.000 0.405 671 Q N 2.342 122.238 119.800 0.160 0.000 2.722 671 Q HA 0.158 4.500 4.340 0.003 0.000 0.214 671 Q C 1.037 177.101 176.000 0.108 0.000 1.109 671 Q CA 0.806 56.679 55.803 0.116 0.000 1.066 671 Q CB -0.236 28.567 28.738 0.108 0.000 1.290 671 Q HN 0.481 nan 8.270 nan 0.000 0.620 672 G N 0.732 109.576 108.800 0.073 0.000 2.158 672 G HA2 -0.195 3.767 3.960 0.003 0.000 0.257 672 G HA3 -0.195 3.767 3.960 0.003 0.000 0.257 672 G C -0.462 174.450 174.900 0.021 0.000 0.811 672 G CA 0.723 45.858 45.100 0.058 0.000 1.178 672 G HN 0.430 nan 8.290 nan 0.000 0.389 673 L N 1.873 123.038 121.223 -0.096 0.000 2.438 673 L HA 0.470 4.812 4.340 0.003 0.000 0.270 673 L C -1.108 175.637 176.870 -0.209 0.000 0.972 673 L CA -2.345 52.291 54.840 -0.340 0.000 0.831 673 L CB 2.147 43.874 42.059 -0.553 0.000 1.273 673 L HN 0.067 nan 8.230 nan 0.000 0.405 674 P HA -0.141 nan 4.420 nan 0.000 0.216 674 P C 0.170 177.429 177.300 -0.070 0.000 1.153 674 P CA 1.234 64.275 63.100 -0.098 0.000 0.858 674 P CB 0.164 31.812 31.700 -0.087 0.000 0.789 675 N N -0.555 118.098 118.700 -0.078 0.000 2.660 675 N HA 0.272 5.014 4.740 0.003 0.000 0.316 675 N C -1.629 173.874 175.510 -0.012 0.000 1.774 675 N CA -0.296 52.733 53.050 -0.036 0.000 0.946 675 N CB 0.211 38.681 38.487 -0.029 0.000 1.322 675 N HN -0.214 nan 8.380 nan 0.000 0.492 676 V N 1.704 121.613 119.914 -0.007 0.000 2.623 676 V HA 0.503 4.625 4.120 0.003 0.000 0.304 676 V C -2.177 173.936 176.094 0.032 0.000 1.054 676 V CA -1.657 60.658 62.300 0.025 0.000 0.882 676 V CB 2.206 34.048 31.823 0.031 0.000 1.002 676 V HN 0.221 nan 8.190 nan 0.000 0.424 677 P HA 0.141 nan 4.420 nan 0.000 0.268 677 P C 0.493 177.814 177.300 0.036 0.000 1.205 677 P CA -0.121 63.001 63.100 0.036 0.000 0.771 677 P CB 0.708 32.432 31.700 0.040 0.000 0.858 678 Q N 2.096 121.910 119.800 0.023 0.000 2.173 678 Q HA -0.267 4.075 4.340 0.003 0.000 0.208 678 Q C 1.804 177.811 176.000 0.011 0.000 0.989 678 Q CA 1.771 57.585 55.803 0.019 0.000 0.872 678 Q CB -0.582 28.163 28.738 0.012 0.000 0.909 678 Q HN 0.463 nan 8.270 nan 0.000 0.420 679 E N -0.322 119.882 120.200 0.006 0.000 2.038 679 E HA -0.181 4.171 4.350 0.003 0.000 0.195 679 E C 1.933 178.513 176.600 -0.033 0.000 1.000 679 E CA 1.282 57.673 56.400 -0.014 0.000 0.803 679 E CB -0.251 29.445 29.700 -0.006 0.000 0.750 679 E HN 0.444 nan 8.360 nan 0.000 0.448 680 L N 0.394 121.626 121.223 0.016 0.000 2.017 680 L HA -0.209 4.133 4.340 0.003 0.000 0.208 680 L C 2.716 179.626 176.870 0.067 0.000 1.073 680 L CA 1.398 56.272 54.840 0.056 0.000 0.745 680 L CB -0.474 41.702 42.059 0.194 0.000 0.894 680 L HN 0.105 nan 8.230 nan 0.000 0.432 681 K N 0.164 120.612 120.400 0.079 0.000 2.001 681 K HA -0.215 4.107 4.320 0.003 0.000 0.214 681 K C 1.711 178.340 176.600 0.048 0.000 1.050 681 K CA 1.939 58.278 56.287 0.086 0.000 0.934 681 K CB -0.298 32.242 32.500 0.067 0.000 0.718 681 K HN 0.282 nan 8.250 nan 0.000 0.443 682 D N 0.734 121.139 120.400 0.008 0.000 2.228 682 D HA -0.171 4.471 4.640 0.003 0.000 0.203 682 D C 1.827 178.099 176.300 -0.047 0.000 0.988 682 D CA 0.931 54.926 54.000 -0.009 0.000 0.864 682 D CB -0.093 40.695 40.800 -0.021 0.000 0.928 682 D HN 0.061 nan 8.370 nan 0.000 0.469 683 L N -0.769 120.362 121.223 -0.153 0.000 2.162 683 L HA -0.047 4.295 4.340 0.003 0.000 0.205 683 L C 1.037 177.728 176.870 -0.299 0.000 1.086 683 L CA 1.305 55.946 54.840 -0.332 0.000 0.778 683 L CB -0.211 41.458 42.059 -0.649 0.000 0.928 683 L HN 0.002 nan 8.230 nan 0.000 0.446 684 Y N -0.125 120.238 120.300 0.106 0.000 2.756 684 Y HA 0.269 4.821 4.550 0.003 0.000 0.300 684 Y C 0.369 176.328 175.900 0.099 0.000 1.113 684 Y CA -0.806 57.364 58.100 0.117 0.000 1.291 684 Y CB -0.208 38.325 38.460 0.122 0.000 1.175 684 Y HN -0.092 nan 8.280 nan 0.000 0.534 685 K N 1.106 121.610 120.400 0.172 0.000 2.484 685 K HA 0.029 4.351 4.320 0.003 0.000 0.280 685 K C 0.691 177.352 176.600 0.102 0.000 1.013 685 K CA 0.166 56.527 56.287 0.123 0.000 1.029 685 K CB 0.686 33.233 32.500 0.079 0.000 0.902 685 K HN 0.119 nan 8.250 nan 0.000 0.481 686 T N 1.127 115.736 114.554 0.093 0.000 2.748 686 T HA -0.032 4.320 4.350 0.003 0.000 0.304 686 T C 1.421 176.064 174.700 -0.095 0.000 1.041 686 T CA -0.415 61.710 62.100 0.043 0.000 1.033 686 T CB 1.103 70.061 68.868 0.151 0.000 0.995 686 T HN 0.394 nan 8.240 nan 0.000 0.536 687 V N 1.756 121.468 119.914 -0.338 0.000 2.515 687 V HA -0.063 4.059 4.120 0.003 0.000 0.250 687 V C 1.156 176.973 176.094 -0.461 0.000 1.058 687 V CA 1.538 63.463 62.300 -0.625 0.000 1.064 687 V CB -0.476 30.597 31.823 -1.250 0.000 0.675 687 V HN 0.926 nan 8.190 nan 0.000 0.461 688 W N 0.191 121.399 121.300 -0.154 0.000 3.310 688 W HA 0.206 4.867 4.660 0.003 0.000 0.259 688 W C 1.784 178.294 176.519 -0.016 0.000 1.324 688 W CA 0.134 57.456 57.345 -0.038 0.000 1.636 688 W CB -0.171 29.278 29.460 -0.019 0.000 1.104 688 W HN 0.296 nan 8.180 nan 0.000 0.722 689 E N -0.568 119.707 120.200 0.125 0.000 2.639 689 E HA 0.164 4.516 4.350 0.003 0.000 0.225 689 E C 0.213 176.844 176.600 0.053 0.000 0.921 689 E CA -0.147 56.314 56.400 0.101 0.000 1.184 689 E CB 0.548 30.311 29.700 0.105 0.000 1.160 689 E HN 0.118 nan 8.360 nan 0.000 0.547 690 I N 2.193 122.766 120.570 0.005 0.000 2.396 690 I HA 0.047 4.219 4.170 0.003 0.000 0.292 690 I C 0.539 176.676 176.117 0.033 0.000 0.999 690 I CA -0.552 60.751 61.300 0.004 0.000 1.310 690 I CB 1.379 39.337 38.000 -0.069 0.000 1.404 690 I HN -0.047 nan 8.210 nan 0.000 0.496 691 S N 5.892 121.622 115.700 0.050 0.000 2.525 691 S HA 0.022 4.494 4.470 0.003 0.000 0.285 691 S C 0.872 175.514 174.600 0.071 0.000 1.283 691 S CA -0.578 57.654 58.200 0.054 0.000 1.072 691 S CB 1.013 64.236 63.200 0.040 0.000 0.867 691 S HN 0.580 nan 8.310 nan 0.000 0.492 692 Q N 3.063 122.910 119.800 0.078 0.000 2.368 692 Q HA -0.120 4.222 4.340 0.003 0.000 0.210 692 Q C 1.520 177.599 176.000 0.133 0.000 0.982 692 Q CA 1.518 57.388 55.803 0.111 0.000 0.884 692 Q CB -0.368 28.438 28.738 0.113 0.000 0.933 692 Q HN 0.854 nan 8.270 nan 0.000 0.460 693 K N -0.654 119.789 120.400 0.072 0.000 2.062 693 K HA -0.014 4.308 4.320 0.003 0.000 0.205 693 K C 2.201 178.914 176.600 0.189 0.000 1.051 693 K CA 1.330 57.649 56.287 0.053 0.000 0.941 693 K CB -0.467 31.934 32.500 -0.164 0.000 0.719 693 K HN -0.002 nan 8.250 nan 0.000 0.440 694 T N 1.787 116.426 114.554 0.142 0.000 2.708 694 T HA -0.074 4.278 4.350 0.003 0.000 0.266 694 T C 1.727 176.557 174.700 0.216 0.000 1.037 694 T CA 1.138 63.339 62.100 0.167 0.000 1.146 694 T CB -0.189 68.767 68.868 0.147 0.000 0.865 694 T HN 0.032 nan 8.240 nan 0.000 0.435 695 I N 1.618 122.318 120.570 0.217 0.000 2.091 695 I HA -0.164 4.008 4.170 0.003 0.000 0.239 695 I C 2.452 178.713 176.117 0.240 0.000 1.061 695 I CA 1.480 62.929 61.300 0.249 0.000 1.317 695 I CB -1.241 36.883 38.000 0.207 0.000 1.031 695 I HN 0.233 nan 8.210 nan 0.000 0.401 696 I N 1.175 121.893 120.570 0.247 0.000 2.194 696 I HA -0.323 3.849 4.170 0.003 0.000 0.246 696 I C 2.309 178.534 176.117 0.181 0.000 1.093 696 I CA 1.614 63.058 61.300 0.240 0.000 1.355 696 I CB -1.433 36.784 38.000 0.361 0.000 1.046 696 I HN 0.377 nan 8.210 nan 0.000 0.413 697 N N 0.963 119.791 118.700 0.213 0.000 2.084 697 N HA -0.130 4.612 4.740 0.003 0.000 0.190 697 N C 1.959 177.514 175.510 0.075 0.000 1.030 697 N CA 1.367 54.498 53.050 0.134 0.000 0.849 697 N CB -0.265 38.315 38.487 0.155 0.000 1.012 697 N HN 0.402 nan 8.380 nan 0.000 0.423 698 M N 0.624 120.291 119.600 0.112 0.000 2.175 698 M HA -0.033 4.449 4.480 0.003 0.000 0.264 698 M C 2.315 178.617 176.300 0.004 0.000 1.063 698 M CA 1.092 56.436 55.300 0.074 0.000 1.119 698 M CB -0.275 32.423 32.600 0.164 0.000 1.377 698 M HN 0.101 nan 8.290 nan 0.000 0.415 699 A N 1.021 123.882 122.820 0.069 0.000 1.841 699 A HA -0.116 4.206 4.320 0.003 0.000 0.216 699 A C 2.468 180.040 177.584 -0.019 0.000 1.199 699 A CA 2.216 54.295 52.037 0.070 0.000 0.621 699 A CB -1.256 17.819 19.000 0.125 0.000 0.835 699 A HN 0.474 nan 8.150 nan 0.000 0.445 700 A N -0.002 122.815 122.820 -0.005 0.000 1.915 700 A HA -0.329 3.993 4.320 0.003 0.000 0.220 700 A C 1.773 179.216 177.584 -0.235 0.000 1.198 700 A CA 2.430 54.427 52.037 -0.066 0.000 0.647 700 A CB -0.864 18.118 19.000 -0.030 0.000 0.825 700 A HN 0.556 nan 8.150 nan 0.000 0.456 701 D N -0.775 119.517 120.400 -0.179 0.000 2.077 701 D HA -0.152 4.490 4.640 0.003 0.000 0.196 701 D C 2.207 178.331 176.300 -0.294 0.000 0.986 701 D CA 1.736 55.611 54.000 -0.208 0.000 0.829 701 D CB -0.517 40.227 40.800 -0.093 0.000 0.983 701 D HN 0.771 nan 8.370 nan 0.000 0.453 702 R N 0.906 121.218 120.500 -0.313 0.000 2.193 702 R HA 0.026 4.368 4.340 0.003 0.000 0.229 702 R C 1.826 177.802 176.300 -0.539 0.000 1.110 702 R CA 1.147 56.986 56.100 -0.436 0.000 0.988 702 R CB -0.456 29.196 30.300 -1.080 0.000 0.871 702 R HN -0.112 nan 8.270 nan 0.000 0.458 703 S N 1.136 116.487 115.700 -0.581 0.000 2.442 703 S HA -0.091 4.381 4.470 0.003 0.000 0.236 703 S C 1.899 175.921 174.600 -0.963 0.000 1.007 703 S CA 1.231 59.070 58.200 -0.602 0.000 0.965 703 S CB 0.011 62.971 63.200 -0.399 0.000 0.773 703 S HN 0.486 nan 8.310 nan 0.000 0.504 704 V N -1.626 117.519 119.914 -1.282 0.000 3.461 704 V HA 0.130 4.252 4.120 0.003 0.000 0.267 704 V C 0.675 176.199 176.094 -0.950 0.000 1.186 704 V CA 0.788 62.206 62.300 -1.471 0.000 1.154 704 V CB -1.071 29.975 31.823 -1.296 0.000 0.802 704 V HN 0.553 nan 8.190 nan 0.000 0.474 705 Y N 0.310 120.365 120.300 -0.408 0.000 2.681 705 Y HA 0.582 5.134 4.550 0.004 0.000 0.267 705 Y C 0.559 176.080 175.900 -0.631 0.000 1.166 705 Y CA -0.593 57.269 58.100 -0.398 0.000 1.209 705 Y CB 0.391 38.870 38.460 0.031 0.000 1.161 705 Y HN 0.190 nan 8.280 nan 0.000 0.534 706 I N 0.458 120.782 120.570 -0.410 0.000 2.464 706 I HA 0.139 4.311 4.170 0.003 0.000 0.277 706 I C 0.182 176.206 176.117 -0.155 0.000 1.040 706 I CA -0.441 60.715 61.300 -0.241 0.000 1.153 706 I CB 1.192 39.093 38.000 -0.165 0.000 1.274 706 I HN 0.132 nan 8.210 nan 0.000 0.469 707 D N 3.344 123.647 120.400 -0.162 0.000 2.242 707 D HA -0.227 4.415 4.640 0.003 0.000 0.190 707 D C 1.318 177.636 176.300 0.030 0.000 1.012 707 D CA 1.984 55.976 54.000 -0.012 0.000 0.875 707 D CB 0.422 41.265 40.800 0.071 0.000 0.922 707 D HN 0.619 nan 8.370 nan 0.000 0.448 708 Q N -0.951 118.871 119.800 0.036 0.000 3.082 708 Q HA 0.401 4.743 4.340 0.003 0.000 0.213 708 Q C 0.419 176.469 176.000 0.083 0.000 1.170 708 Q CA -0.373 55.463 55.803 0.056 0.000 0.316 708 Q CB 0.752 29.520 28.738 0.050 0.000 5.820 708 Q HN 0.016 nan 8.270 nan 0.000 0.315 709 S N -1.208 114.550 115.700 0.097 0.000 2.819 709 S HA 0.494 4.966 4.470 0.003 0.000 0.299 709 S C -1.924 172.795 174.600 0.198 0.000 1.192 709 S CA -0.637 57.647 58.200 0.140 0.000 0.847 709 S CB 1.242 64.503 63.200 0.101 0.000 1.224 709 S HN 0.646 nan 8.310 nan 0.000 0.537 710 H N -1.371 117.691 119.070 -0.013 0.000 3.016 710 H HA 0.632 5.190 4.556 0.003 0.000 0.362 710 H C -1.158 174.234 175.328 0.106 0.000 1.233 710 H CA -0.941 55.118 56.048 0.020 0.000 1.124 710 H CB 1.104 30.775 29.762 -0.152 0.000 1.850 710 H HN 0.283 nan 8.280 nan 0.000 0.549 711 S N 2.285 118.174 115.700 0.314 0.000 4.139 711 S HA 0.068 4.540 4.470 0.003 0.000 0.215 711 S C 0.158 174.969 174.600 0.352 0.000 1.390 711 S CA -0.633 57.630 58.200 0.104 0.000 0.885 711 S CB -0.520 62.649 63.200 -0.052 0.000 1.560 711 S HN 0.451 nan 8.310 nan 0.000 0.449 712 L N 3.726 125.048 121.223 0.164 0.000 2.454 712 L HA 0.171 4.513 4.340 0.003 0.000 0.284 712 L C 0.034 177.042 176.870 0.230 0.000 1.139 712 L CA 0.030 54.995 54.840 0.208 0.000 0.911 712 L CB -0.361 41.681 42.059 -0.027 0.000 1.262 712 L HN 0.507 nan 8.230 nan 0.000 0.453 713 N N 3.556 122.396 118.700 0.234 0.000 2.520 713 N HA 0.269 5.011 4.740 0.003 0.000 0.273 713 N C -0.855 174.552 175.510 -0.172 0.000 1.155 713 N CA -0.780 52.245 53.050 -0.042 0.000 0.967 713 N CB 1.169 39.510 38.487 -0.244 0.000 1.092 713 N HN 0.319 nan 8.380 nan 0.000 0.457 714 L N 3.018 124.069 121.223 -0.288 0.000 2.322 714 L HA 0.483 4.825 4.340 0.003 0.000 0.279 714 L C -1.025 175.516 176.870 -0.548 0.000 1.036 714 L CA -0.358 54.349 54.840 -0.221 0.000 0.807 714 L CB 0.687 42.726 42.059 -0.032 0.000 1.226 714 L HN 0.439 nan 8.230 nan 0.000 0.433 715 F N 4.213 124.091 119.950 -0.119 0.000 2.445 715 F HA 0.539 5.068 4.527 0.003 0.000 0.348 715 F C -0.266 175.550 175.800 0.028 0.000 1.125 715 F CA -0.509 57.345 58.000 -0.244 0.000 0.983 715 F CB 0.929 39.443 39.000 -0.811 0.000 1.198 715 F HN 0.094 nan 8.300 nan 0.000 0.436 716 L N 4.154 125.597 121.223 0.367 0.000 2.313 716 L HA 0.521 4.863 4.340 0.003 0.000 0.283 716 L C 1.224 178.372 176.870 0.464 0.000 1.013 716 L CA -0.571 54.471 54.840 0.337 0.000 0.816 716 L CB 2.139 44.304 42.059 0.177 0.000 1.236 716 L HN 0.688 nan 8.230 nan 0.000 0.419 717 R N 3.014 123.744 120.500 0.383 0.000 2.052 717 R HA 0.158 4.500 4.340 0.003 0.000 0.224 717 R C 0.583 176.924 176.300 0.068 0.000 1.165 717 R CA 1.105 57.325 56.100 0.200 0.000 0.939 717 R CB 0.084 30.479 30.300 0.158 0.000 0.834 717 R HN 0.676 nan 8.270 nan 0.000 0.435 718 A N 3.103 125.965 122.820 0.070 0.000 2.736 718 A HA 0.383 4.705 4.320 0.003 0.000 0.335 718 A C -2.315 175.299 177.584 0.050 0.000 1.446 718 A CA -1.619 50.440 52.037 0.036 0.000 1.028 718 A CB 0.330 19.345 19.000 0.025 0.000 1.154 718 A HN 0.311 nan 8.150 nan 0.000 0.507 719 P HA 0.379 nan 4.420 nan 0.000 0.271 719 P C -0.161 177.158 177.300 0.031 0.000 1.218 719 P CA 0.285 63.414 63.100 0.049 0.000 0.780 719 P CB 1.281 33.008 31.700 0.045 0.000 0.901 720 T N -0.556 114.017 114.554 0.031 0.000 2.923 720 T HA 0.312 4.664 4.350 0.003 0.000 0.311 720 T C 1.062 175.781 174.700 0.031 0.000 1.183 720 T CA -0.716 61.403 62.100 0.031 0.000 1.020 720 T CB 0.931 69.825 68.868 0.043 0.000 1.165 720 T HN -0.004 nan 8.240 nan 0.000 0.482 721 M N 2.728 122.342 119.600 0.025 0.000 2.113 721 M HA 0.042 4.524 4.480 0.003 0.000 0.255 721 M C 2.337 178.705 176.300 0.114 0.000 1.073 721 M CA 2.800 58.118 55.300 0.030 0.000 1.091 721 M CB -1.199 31.430 32.600 0.048 0.000 1.309 721 M HN 0.942 nan 8.290 nan 0.000 0.407 722 G N -2.032 106.840 108.800 0.119 0.000 2.430 722 G HA2 -0.182 3.780 3.960 0.003 0.000 0.216 722 G HA3 -0.182 3.780 3.960 0.003 0.000 0.216 722 G C 1.612 176.585 174.900 0.122 0.000 1.146 722 G CA 0.949 46.130 45.100 0.136 0.000 0.793 722 G HN 0.375 nan 8.290 nan 0.000 0.537 723 K N 0.388 120.841 120.400 0.089 0.000 2.057 723 K HA 0.107 4.429 4.320 0.003 0.000 0.207 723 K C 2.257 178.904 176.600 0.078 0.000 1.049 723 K CA 0.842 57.173 56.287 0.074 0.000 0.931 723 K CB -0.573 31.962 32.500 0.059 0.000 0.714 723 K HN 0.301 nan 8.250 nan 0.000 0.440 724 L N 0.068 121.329 121.223 0.063 0.000 2.072 724 L HA -0.168 4.174 4.340 0.003 0.000 0.205 724 L C 1.760 178.694 176.870 0.106 0.000 1.079 724 L CA 1.716 56.556 54.840 -0.001 0.000 0.752 724 L CB -0.551 41.478 42.059 -0.050 0.000 0.906 724 L HN 0.291 nan 8.230 nan 0.000 0.436 725 T N -0.409 114.328 114.554 0.305 0.000 2.685 725 T HA -0.207 4.145 4.350 0.003 0.000 0.268 725 T C 1.953 176.960 174.700 0.512 0.000 1.034 725 T CA 1.883 64.348 62.100 0.609 0.000 1.149 725 T CB -0.242 68.926 68.868 0.500 0.000 0.860 725 T HN 0.633 nan 8.240 nan 0.000 0.449 726 S N 0.612 116.489 115.700 0.295 0.000 2.436 726 S HA 0.042 4.514 4.470 0.003 0.000 0.228 726 S C 2.033 176.823 174.600 0.317 0.000 1.014 726 S CA 0.453 58.810 58.200 0.262 0.000 0.950 726 S CB -0.289 62.989 63.200 0.130 0.000 0.784 726 S HN 0.199 nan 8.310 nan 0.000 0.504 727 M N 1.473 121.220 119.600 0.244 0.000 2.200 727 M HA 0.064 4.546 4.480 0.003 0.000 0.265 727 M C 2.055 178.557 176.300 0.336 0.000 1.066 727 M CA 1.325 56.763 55.300 0.230 0.000 1.127 727 M CB -1.628 31.028 32.600 0.094 0.000 1.379 727 M HN 0.371 nan 8.290 nan 0.000 0.420 728 H N -0.597 118.718 119.070 0.408 0.000 2.321 728 H HA -0.057 4.501 4.556 0.003 0.000 0.300 728 H C 2.106 177.655 175.328 0.367 0.000 1.087 728 H CA 1.528 57.827 56.048 0.419 0.000 1.319 728 H CB -0.664 29.438 29.762 0.567 0.000 1.379 728 H HN 0.278 nan 8.280 nan 0.000 0.501 729 F N -0.478 119.749 119.950 0.461 0.000 2.206 729 F HA -0.170 4.360 4.527 0.005 0.000 0.298 729 F C 2.540 178.542 175.800 0.337 0.000 1.090 729 F CA 0.786 59.011 58.000 0.374 0.000 1.323 729 F CB -0.468 38.673 39.000 0.235 0.000 1.028 729 F HN 0.082 nan 8.300 nan 0.000 0.492 730 Y N 0.693 121.204 120.300 0.350 0.000 2.128 730 Y HA -0.154 4.398 4.550 0.003 0.000 0.284 730 Y C 2.452 178.449 175.900 0.163 0.000 1.154 730 Y CA 1.580 59.805 58.100 0.208 0.000 1.149 730 Y CB -1.008 37.555 38.460 0.172 0.000 0.976 730 Y HN 0.003 nan 8.280 nan 0.000 0.505 731 G N -1.015 107.909 108.800 0.206 0.000 2.404 731 G HA2 -0.332 3.630 3.960 0.003 0.000 0.215 731 G HA3 -0.332 3.630 3.960 0.003 0.000 0.215 731 G C 1.455 176.398 174.900 0.071 0.000 1.174 731 G CA 0.733 45.913 45.100 0.134 0.000 0.780 731 G HN 0.640 nan 8.290 nan 0.000 0.537 732 W N 1.722 122.925 121.300 -0.160 0.000 2.302 732 W HA -0.134 4.527 4.660 0.002 0.000 0.320 732 W C 2.534 178.821 176.519 -0.386 0.000 1.241 732 W CA 2.014 58.983 57.345 -0.626 0.000 1.264 732 W CB -0.279 28.627 29.460 -0.925 0.000 1.154 732 W HN 0.158 nan 8.180 nan 0.000 0.483 733 K N -0.222 119.902 120.400 -0.460 0.000 2.097 733 K HA -0.160 4.162 4.320 0.003 0.000 0.206 733 K C 1.909 178.249 176.600 -0.434 0.000 1.049 733 K CA 1.361 57.293 56.287 -0.592 0.000 0.933 733 K CB -0.306 32.003 32.500 -0.318 0.000 0.717 733 K HN -0.073 nan 8.250 nan 0.000 0.442 734 K N -0.179 120.016 120.400 -0.340 0.000 2.442 734 K HA -0.088 4.234 4.320 0.003 0.000 0.199 734 K C 1.065 177.605 176.600 -0.101 0.000 1.044 734 K CA 1.076 57.236 56.287 -0.211 0.000 0.941 734 K CB -0.405 31.980 32.500 -0.192 0.000 0.759 734 K HN 0.470 nan 8.250 nan 0.000 0.472 735 G N 1.560 110.209 108.800 -0.252 0.000 2.176 735 G HA2 -0.267 3.695 3.960 0.003 0.000 0.252 735 G HA3 -0.267 3.695 3.960 0.003 0.000 0.252 735 G C 0.102 174.942 174.900 -0.100 0.000 1.024 735 G CA 0.061 44.978 45.100 -0.306 0.000 0.755 735 G HN 0.229 nan 8.290 nan 0.000 0.507 736 L N -1.058 120.222 121.223 0.095 0.000 2.482 736 L HA 0.214 4.556 4.340 0.003 0.000 0.273 736 L C 1.889 178.909 176.870 0.249 0.000 1.228 736 L CA 0.312 55.297 54.840 0.243 0.000 0.827 736 L CB 0.364 42.564 42.059 0.235 0.000 1.099 736 L HN 0.206 nan 8.230 nan 0.000 0.494 737 K N 0.293 120.824 120.400 0.218 0.000 2.102 737 K HA 0.079 4.401 4.320 0.003 0.000 0.206 737 K C 0.395 177.076 176.600 0.136 0.000 1.031 737 K CA 0.616 57.000 56.287 0.161 0.000 0.962 737 K CB 0.044 32.620 32.500 0.127 0.000 0.811 737 K HN 0.519 nan 8.250 nan 0.000 0.453 738 T N 1.703 116.309 114.554 0.087 0.000 2.992 738 T HA 0.128 4.480 4.350 0.003 0.000 0.299 738 T C 1.028 175.764 174.700 0.060 0.000 1.027 738 T CA -0.317 61.803 62.100 0.033 0.000 1.001 738 T CB 0.991 69.842 68.868 -0.028 0.000 1.005 738 T HN 0.386 nan 8.240 nan 0.000 0.599 739 G N 2.989 111.837 108.800 0.081 0.000 2.418 739 G HA2 -0.036 3.926 3.960 0.003 0.000 0.217 739 G HA3 -0.036 3.926 3.960 0.003 0.000 0.217 739 G C 0.415 175.432 174.900 0.195 0.000 1.158 739 G CA 0.498 45.745 45.100 0.245 0.000 0.771 739 G HN 0.579 nan 8.290 nan 0.000 0.545 740 M N -1.655 118.020 119.600 0.124 0.000 2.322 740 M HA 0.425 4.907 4.480 0.003 0.000 0.285 740 M C -0.961 175.441 176.300 0.170 0.000 1.119 740 M CA -0.915 54.486 55.300 0.169 0.000 0.953 740 M CB 1.722 34.476 32.600 0.256 0.000 1.701 740 M HN 0.102 nan 8.290 nan 0.000 0.479 741 Y N 3.973 124.244 120.300 -0.050 0.000 3.352 741 Y HA 0.382 4.934 4.550 0.003 0.000 0.249 741 Y C -0.783 175.067 175.900 -0.082 0.000 0.874 741 Y CA 0.165 58.108 58.100 -0.262 0.000 1.090 741 Y CB -0.301 38.027 38.460 -0.220 0.000 1.167 741 Y HN 0.595 nan 8.280 nan 0.000 0.495 742 Y N 1.562 121.578 120.300 -0.473 0.000 2.346 742 Y HA 0.207 4.760 4.550 0.003 0.000 0.330 742 Y C 0.328 176.128 175.900 -0.167 0.000 1.178 742 Y CA -0.267 57.688 58.100 -0.241 0.000 1.331 742 Y CB 0.512 38.734 38.460 -0.397 0.000 1.253 742 Y HN 0.149 nan 8.280 nan 0.000 0.529 743 L N 6.144 127.420 121.223 0.089 0.000 2.268 743 L HA 0.327 4.669 4.340 0.003 0.000 0.289 743 L C -0.525 176.356 176.870 0.017 0.000 1.064 743 L CA -0.167 54.680 54.840 0.011 0.000 0.824 743 L CB -0.143 41.937 42.059 0.035 0.000 1.202 743 L HN 0.707 nan 8.230 nan 0.000 0.433 744 R N 3.329 123.756 120.500 -0.122 0.000 2.297 744 R HA 0.417 4.759 4.340 0.003 0.000 0.308 744 R C -0.177 176.300 176.300 0.294 0.000 1.029 744 R CA -0.289 55.817 56.100 0.009 0.000 0.929 744 R CB 2.000 32.175 30.300 -0.207 0.000 1.046 744 R HN 0.594 nan 8.270 nan 0.000 0.461 745 T N 0.542 115.319 114.554 0.372 0.000 2.551 745 T HA 0.298 4.650 4.350 0.003 0.000 0.249 745 T C -1.069 173.691 174.700 0.100 0.000 0.851 745 T CA -0.174 62.107 62.100 0.302 0.000 1.149 745 T CB 0.783 69.732 68.868 0.136 0.000 1.456 745 T HN 0.566 nan 8.240 nan 0.000 0.514 746 Q N 0.000 119.779 119.800 -0.035 0.000 2.315 746 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 746 Q CA 0.000 55.701 55.803 -0.170 0.000 1.022 746 Q CB 0.000 28.640 28.738 -0.164 0.000 1.108 746 Q HN 0.000 nan 8.270 nan 0.000 0.481