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 2wik_1_A DATA FIRST_RESID 3 DATA SEQUENCE DIIIATKNGK VRGMQLTVFG GTVTAFLGIP YAQPPLGRLR FKKPQSLTKW DATA SEQUENCE SDIWNATKYA NScCQNIDQS FPGFHGSEMW NPNTDLSEDc LYLNVWIPAP DATA SEQUENCE KPKNATVLIW IYGGGFQTGT SSLHVYDGKF LARVERVIVV SMNYRVGALG DATA SEQUENCE FLALPGNPEA PGNMGLFDQQ LALQWVQKNI AAFGGNPKSV TLFGESAGAA DATA SEQUENCE SVSLHLLSPG SHSLFTRAIL QSGSFNAPWA VTSLYEARNR TLNLAKLTGc DATA SEQUENCE SRENETEIIK cLRNKDPQEI LLNEAFVVPY GTPLSVNFGP TVDGDFLTDM DATA SEQUENCE PDILLELGQF KKTQILVGVN KDEGTAFLVY GAPGFSKDNN SIITRKEFQE DATA SEQUENCE GLKIFFPGVS EFGKESILFH YTDWVDDQRP ENYREALGDV VGDYNFIcPA DATA SEQUENCE LEFTKKFSEW GNNAFFYYFE HRSSKLPWPE WMGVMHGYEI EFVFGLPLER DATA SEQUENCE RDQYTKAEEI LSRSIVKRWA NFAKYGNPQE TQNNSTSWPV FKSTEQKYLT DATA SEQUENCE LNTESTRIMT KLRAQQcRFW TSFFPKV 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.308 176.300 0.014 0.000 2.045 3 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 3 D CB 0.000 40.801 40.800 0.002 0.000 0.688 4 I N 3.067 123.642 120.570 0.007 0.000 2.420 4 I HA 0.557 4.724 4.170 -0.005 0.000 0.282 4 I C -0.469 175.719 176.117 0.119 0.000 1.019 4 I CA -0.989 60.342 61.300 0.051 0.000 1.130 4 I CB 0.804 38.824 38.000 0.032 0.000 1.262 4 I HN 0.332 nan 8.210 nan 0.000 0.454 5 I N 6.021 126.672 120.570 0.135 0.000 2.603 5 I HA 0.595 4.762 4.170 -0.005 0.000 0.300 5 I C -0.554 175.633 176.117 0.117 0.000 1.017 5 I CA -0.486 60.916 61.300 0.170 0.000 1.098 5 I CB 2.087 40.156 38.000 0.116 0.000 1.279 5 I HN 0.316 nan 8.210 nan 0.000 0.437 6 I N 4.060 124.678 120.570 0.079 0.000 2.656 6 I HA 0.500 4.667 4.170 -0.005 0.000 0.292 6 I C -0.403 175.625 176.117 -0.149 0.000 1.144 6 I CA -0.605 60.592 61.300 -0.172 0.000 1.038 6 I CB 2.004 39.635 38.000 -0.616 0.000 1.244 6 I HN 0.585 nan 8.210 nan 0.000 0.420 7 A N 4.155 126.879 122.820 -0.160 0.000 2.290 7 A HA 0.732 5.048 4.320 -0.005 0.000 0.310 7 A C 0.172 177.671 177.584 -0.142 0.000 1.202 7 A CA -0.333 51.641 52.037 -0.105 0.000 0.837 7 A CB 0.746 19.692 19.000 -0.090 0.000 1.139 7 A HN 0.770 nan 8.150 nan 0.000 0.509 8 T N -0.300 114.196 114.554 -0.098 0.000 2.950 8 T HA 0.382 4.729 4.350 -0.005 0.000 0.288 8 T C 0.813 175.415 174.700 -0.164 0.000 1.035 8 T CA -0.811 61.232 62.100 -0.096 0.000 1.028 8 T CB 1.068 69.987 68.868 0.084 0.000 1.109 8 T HN 0.483 nan 8.240 nan 0.000 0.514 9 K N 1.245 121.540 120.400 -0.175 0.000 2.207 9 K HA -0.170 4.147 4.320 -0.005 0.000 0.208 9 K C 1.263 177.744 176.600 -0.199 0.000 1.046 9 K CA 1.583 57.772 56.287 -0.165 0.000 0.929 9 K CB -0.382 32.029 32.500 -0.149 0.000 0.720 9 K HN 0.611 nan 8.250 nan 0.000 0.463 10 N N -0.433 118.106 118.700 -0.269 0.000 2.205 10 N HA 0.064 4.801 4.740 -0.005 0.000 0.201 10 N C 0.664 175.543 175.510 -1.051 0.000 1.128 10 N CA 0.692 53.475 53.050 -0.446 0.000 0.867 10 N CB 1.491 39.822 38.487 -0.260 0.000 0.996 10 N HN 0.266 nan 8.380 nan 0.000 0.503 11 G N 0.428 108.703 108.800 -0.875 0.000 2.369 11 G HA2 -0.018 3.939 3.960 -0.005 0.000 0.295 11 G HA3 -0.018 3.939 3.960 -0.005 0.000 0.295 11 G C -1.609 173.068 174.900 -0.372 0.000 1.298 11 G CA -0.828 43.655 45.100 -1.027 0.000 0.940 11 G HN -0.079 nan 8.290 nan 0.000 0.536 12 K N -0.621 119.769 120.400 -0.016 0.000 2.098 12 K HA 0.700 5.016 4.320 -0.005 0.000 0.261 12 K C -0.195 176.755 176.600 0.582 0.000 0.987 12 K CA -0.559 55.875 56.287 0.244 0.000 0.916 12 K CB 2.152 34.773 32.500 0.201 0.000 1.039 12 K HN 1.296 nan 8.250 nan 0.000 0.455 13 V N -0.416 119.785 119.914 0.478 0.000 2.808 13 V HA 0.542 4.659 4.120 -0.005 0.000 0.308 13 V C -1.036 175.372 176.094 0.523 0.000 1.099 13 V CA -1.108 61.555 62.300 0.605 0.000 0.920 13 V CB 1.906 34.146 31.823 0.694 0.000 1.014 13 V HN 0.889 nan 8.190 nan 0.000 0.425 14 R N 3.153 123.897 120.500 0.406 0.000 2.474 14 R HA 0.843 5.180 4.340 -0.005 0.000 0.295 14 R C 0.121 176.426 176.300 0.007 0.000 0.980 14 R CA 0.251 56.483 56.100 0.220 0.000 0.934 14 R CB 1.802 32.170 30.300 0.113 0.000 1.101 14 R HN 1.155 nan 8.270 nan 0.000 0.469 15 G N 2.690 111.246 108.800 -0.406 0.000 2.990 15 G HA2 0.544 4.501 3.960 -0.005 0.000 0.208 15 G HA3 0.544 4.501 3.960 -0.005 0.000 0.208 15 G C -0.702 173.908 174.900 -0.484 0.000 1.334 15 G CA -0.772 43.762 45.100 -0.943 0.000 1.024 15 G HN 0.699 nan 8.290 nan 0.000 0.574 16 M N -1.349 117.982 119.600 -0.449 0.000 2.520 16 M HA 0.565 5.042 4.480 -0.005 0.000 0.283 16 M C -1.835 174.352 176.300 -0.187 0.000 1.237 16 M CA -0.913 54.239 55.300 -0.246 0.000 0.885 16 M CB 2.489 34.964 32.600 -0.208 0.000 1.727 16 M HN 0.308 nan 8.290 nan 0.000 0.468 17 Q N 2.521 122.254 119.800 -0.112 0.000 2.226 17 Q HA 0.807 5.144 4.340 -0.005 0.000 0.256 17 Q C -1.385 174.584 176.000 -0.052 0.000 0.962 17 Q CA -0.411 55.353 55.803 -0.065 0.000 0.887 17 Q CB 2.287 31.001 28.738 -0.041 0.000 1.282 17 Q HN 0.835 nan 8.270 nan 0.000 0.449 18 L N 0.453 121.657 121.223 -0.033 0.000 2.455 18 L HA 0.465 4.802 4.340 -0.005 0.000 0.264 18 L C -0.443 176.401 176.870 -0.042 0.000 0.968 18 L CA -0.775 54.041 54.840 -0.041 0.000 0.827 18 L CB 2.382 44.416 42.059 -0.043 0.000 1.317 18 L HN 0.388 nan 8.230 nan 0.000 0.407 19 T N 2.224 116.751 114.554 -0.044 0.000 2.767 19 T HA 0.598 4.945 4.350 -0.005 0.000 0.288 19 T C -0.268 174.388 174.700 -0.074 0.000 0.963 19 T CA -0.385 61.696 62.100 -0.032 0.000 1.019 19 T CB 1.400 70.263 68.868 -0.008 0.000 0.923 19 T HN 0.249 nan 8.240 nan 0.000 0.468 20 V N 4.041 123.897 119.914 -0.098 0.000 2.638 20 V HA 0.410 4.527 4.120 -0.005 0.000 0.306 20 V C -0.108 175.917 176.094 -0.115 0.000 1.052 20 V CA -1.241 60.910 62.300 -0.250 0.000 0.885 20 V CB 1.017 32.596 31.823 -0.407 0.000 0.999 20 V HN 1.062 nan 8.190 nan 0.000 0.424 21 F N 2.896 122.901 119.950 0.092 0.000 2.861 21 F HA -0.234 4.289 4.527 -0.005 0.000 0.230 21 F C 1.627 177.458 175.800 0.050 0.000 1.020 21 F CA 0.690 58.734 58.000 0.073 0.000 0.852 21 F CB -1.086 37.962 39.000 0.080 0.000 0.724 21 F HN 1.079 nan 8.300 nan 0.000 0.843 22 G N 0.197 109.114 108.800 0.194 0.000 2.305 22 G HA2 0.058 4.015 3.960 -0.005 0.000 0.287 22 G HA3 0.058 4.015 3.960 -0.005 0.000 0.287 22 G C 0.406 175.366 174.900 0.100 0.000 1.036 22 G CA 0.292 45.464 45.100 0.120 0.000 0.887 22 G HN 1.499 nan 8.290 nan 0.000 0.505 23 G N -2.398 106.453 108.800 0.086 0.000 2.721 23 G HA2 0.820 4.777 3.960 -0.005 0.000 0.296 23 G HA3 0.820 4.777 3.960 -0.005 0.000 0.296 23 G C -0.962 173.961 174.900 0.039 0.000 1.383 23 G CA 0.313 45.455 45.100 0.070 0.000 0.788 23 G HN 0.724 nan 8.290 nan 0.000 0.500 24 T N -0.166 114.410 114.554 0.038 0.000 2.861 24 T HA 0.622 4.969 4.350 -0.005 0.000 0.287 24 T C -0.753 173.969 174.700 0.036 0.000 1.003 24 T CA -0.285 61.830 62.100 0.024 0.000 0.977 24 T CB 1.806 70.691 68.868 0.028 0.000 0.996 24 T HN 0.462 nan 8.240 nan 0.000 0.448 25 V N 2.677 122.608 119.914 0.027 0.000 2.680 25 V HA 0.561 4.678 4.120 -0.005 0.000 0.309 25 V C 0.066 176.212 176.094 0.087 0.000 1.052 25 V CA -0.862 61.484 62.300 0.077 0.000 0.908 25 V CB 2.274 34.138 31.823 0.068 0.000 1.001 25 V HN 0.981 nan 8.190 nan 0.000 0.431 26 T N 3.558 118.194 114.554 0.136 0.000 2.749 26 T HA 0.664 5.011 4.350 -0.005 0.000 0.287 26 T C -0.000 174.769 174.700 0.115 0.000 0.970 26 T CA -0.227 61.923 62.100 0.083 0.000 0.980 26 T CB 1.277 70.242 68.868 0.162 0.000 0.924 26 T HN 0.928 nan 8.240 nan 0.000 0.456 27 A N 3.318 126.076 122.820 -0.103 0.000 2.288 27 A HA 0.750 5.067 4.320 -0.005 0.000 0.320 27 A C -0.833 176.556 177.584 -0.326 0.000 1.217 27 A CA -0.684 51.212 52.037 -0.235 0.000 0.840 27 A CB 0.170 19.005 19.000 -0.274 0.000 1.179 27 A HN 0.724 nan 8.150 nan 0.000 0.504 28 F N 3.290 123.084 119.950 -0.261 0.000 2.311 28 F HA 0.396 4.920 4.527 -0.005 0.000 0.371 28 F C -0.007 175.624 175.800 -0.282 0.000 1.083 28 F CA -0.599 57.316 58.000 -0.142 0.000 1.113 28 F CB 0.852 39.888 39.000 0.059 0.000 1.349 28 F HN 0.355 nan 8.300 nan 0.000 0.470 29 L N 2.268 123.385 121.223 -0.176 0.000 2.350 29 L HA 0.583 4.920 4.340 -0.005 0.000 0.275 29 L C 1.098 177.958 176.870 -0.016 0.000 1.099 29 L CA -0.856 53.840 54.840 -0.239 0.000 0.808 29 L CB 0.976 42.746 42.059 -0.481 0.000 1.149 29 L HN 0.845 nan 8.230 nan 0.000 0.442 30 G N 3.501 112.332 108.800 0.052 0.000 2.350 30 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.298 30 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.298 30 G C -0.210 174.838 174.900 0.246 0.000 1.037 30 G CA -0.209 44.988 45.100 0.162 0.000 1.074 30 G HN 0.489 nan 8.290 nan 0.000 0.511 31 I N 1.773 122.359 120.570 0.027 0.000 2.395 31 I HA 0.306 4.472 4.170 -0.005 0.000 0.289 31 I C -1.291 174.618 176.117 -0.347 0.000 1.023 31 I CA -2.382 58.744 61.300 -0.290 0.000 1.350 31 I CB 1.352 39.184 38.000 -0.280 0.000 1.409 31 I HN 0.044 nan 8.210 nan 0.000 0.507 32 P HA 0.102 nan 4.420 nan 0.000 0.276 32 P C -0.814 176.208 177.300 -0.463 0.000 1.252 32 P CA 0.161 62.797 63.100 -0.774 0.000 0.802 32 P CB 0.697 31.867 31.700 -0.883 0.000 1.035 33 Y N -1.832 118.186 120.300 -0.470 0.000 2.563 33 Y HA 0.712 5.259 4.550 -0.005 0.000 0.273 33 Y C -0.255 175.580 175.900 -0.108 0.000 1.034 33 Y CA -0.424 57.490 58.100 -0.309 0.000 1.217 33 Y CB 0.095 38.285 38.460 -0.449 0.000 1.380 33 Y HN 0.468 nan 8.280 nan 0.000 0.568 34 A N 0.754 123.317 122.820 -0.429 0.000 2.569 34 A HA 0.542 4.858 4.320 -0.005 0.000 0.290 34 A C -1.196 176.248 177.584 -0.234 0.000 1.136 34 A CA -0.936 50.968 52.037 -0.223 0.000 0.710 34 A CB 1.347 20.205 19.000 -0.236 0.000 1.303 34 A HN 0.141 nan 8.150 nan 0.000 0.413 35 Q N 0.576 120.306 119.800 -0.117 0.000 2.364 35 Q HA 0.254 4.591 4.340 -0.005 0.000 0.267 35 Q C -2.213 173.711 176.000 -0.127 0.000 0.999 35 Q CA -1.118 54.632 55.803 -0.089 0.000 0.886 35 Q CB 0.359 29.078 28.738 -0.032 0.000 1.243 35 Q HN 0.349 nan 8.270 nan 0.000 0.415 36 P HA 0.056 nan 4.420 nan 0.000 0.268 36 P C -2.401 174.849 177.300 -0.082 0.000 1.204 36 P CA -0.958 62.081 63.100 -0.101 0.000 0.768 36 P CB 0.117 31.795 31.700 -0.037 0.000 0.842 37 P HA 0.217 nan 4.420 nan 0.000 0.219 37 P C -0.915 176.326 177.300 -0.098 0.000 1.847 37 P CA 0.123 63.169 63.100 -0.091 0.000 1.059 37 P CB 0.128 31.767 31.700 -0.102 0.000 1.900 38 L N 0.574 121.752 121.223 -0.074 0.000 2.334 38 L HA 0.704 5.040 4.340 -0.005 0.000 0.272 38 L C 1.543 178.376 176.870 -0.061 0.000 1.020 38 L CA -0.252 54.545 54.840 -0.072 0.000 0.812 38 L CB 1.153 43.184 42.059 -0.047 0.000 1.264 38 L HN 0.388 nan 8.230 nan 0.000 0.439 39 G N 1.053 109.814 108.800 -0.064 0.000 2.601 39 G HA2 -0.389 3.568 3.960 -0.005 0.000 0.306 39 G HA3 -0.389 3.568 3.960 -0.005 0.000 0.306 39 G C 0.964 175.849 174.900 -0.025 0.000 1.172 39 G CA 0.827 45.905 45.100 -0.036 0.000 0.966 39 G HN 0.725 nan 8.290 nan 0.000 0.542 40 R N 0.554 121.048 120.500 -0.011 0.000 2.148 40 R HA 0.174 4.511 4.340 -0.005 0.000 0.227 40 R C 2.732 179.032 176.300 -0.001 0.000 1.103 40 R CA 1.616 57.718 56.100 0.003 0.000 0.983 40 R CB -0.375 29.927 30.300 0.004 0.000 0.874 40 R HN 0.566 nan 8.270 nan 0.000 0.451 41 L N 0.452 121.661 121.223 -0.024 0.000 2.291 41 L HA -0.007 4.330 4.340 -0.005 0.000 0.214 41 L C 1.334 178.165 176.870 -0.066 0.000 1.120 41 L CA 0.268 55.086 54.840 -0.036 0.000 0.799 41 L CB -0.447 41.585 42.059 -0.046 0.000 0.925 41 L HN 0.147 nan 8.230 nan 0.000 0.446 42 R N 0.491 120.917 120.500 -0.123 0.000 2.538 42 R HA -0.114 4.223 4.340 -0.005 0.000 0.282 42 R C -0.026 176.148 176.300 -0.211 0.000 1.009 42 R CA 0.307 56.224 56.100 -0.304 0.000 1.063 42 R CB 0.137 30.159 30.300 -0.464 0.000 0.945 42 R HN 0.117 nan 8.270 nan 0.000 0.414 43 F N 0.045 119.967 119.950 -0.046 0.000 2.544 43 F HA -0.279 4.245 4.527 -0.005 0.000 0.389 43 F C -0.071 175.702 175.800 -0.045 0.000 0.588 43 F CA 1.051 59.022 58.000 -0.049 0.000 1.461 43 F CB -1.445 37.531 39.000 -0.040 0.000 1.995 43 F HN 0.584 nan 8.300 nan 0.000 0.282 44 K N 0.808 121.266 120.400 0.096 0.000 2.166 44 K HA 0.520 4.837 4.320 -0.005 0.000 0.245 44 K C 0.258 176.852 176.600 -0.009 0.000 0.967 44 K CA -1.117 55.192 56.287 0.036 0.000 0.863 44 K CB 1.257 33.765 32.500 0.012 0.000 1.107 44 K HN -0.055 nan 8.250 nan 0.000 0.436 45 K N 2.522 122.888 120.400 -0.057 0.000 2.559 45 K HA -0.032 4.285 4.320 -0.005 0.000 0.279 45 K C -2.149 174.418 176.600 -0.055 0.000 0.967 45 K CA -0.722 55.502 56.287 -0.106 0.000 1.000 45 K CB -0.188 32.132 32.500 -0.300 0.000 0.890 45 K HN 0.368 nan 8.250 nan 0.000 0.501 46 P HA -0.009 nan 4.420 nan 0.000 0.272 46 P C -0.969 176.330 177.300 -0.003 0.000 1.223 46 P CA 0.017 63.116 63.100 -0.001 0.000 0.784 46 P CB 0.827 32.563 31.700 0.060 0.000 0.923 47 Q N 0.032 119.826 119.800 -0.010 0.000 2.399 47 Q HA 0.292 4.629 4.340 -0.005 0.000 0.276 47 Q C -0.018 175.994 176.000 0.019 0.000 1.098 47 Q CA -0.820 54.983 55.803 -0.000 0.000 0.827 47 Q CB 1.430 30.161 28.738 -0.011 0.000 1.386 47 Q HN 0.557 nan 8.270 nan 0.000 0.443 48 S N 0.547 116.268 115.700 0.035 0.000 2.810 48 S HA -0.069 4.397 4.470 -0.005 0.000 0.329 48 S C 0.239 174.873 174.600 0.057 0.000 1.231 48 S CA -0.479 57.754 58.200 0.055 0.000 1.042 48 S CB -0.083 63.142 63.200 0.042 0.000 0.756 48 S HN 0.479 nan 8.310 nan 0.000 0.504 49 L N 4.827 126.104 121.223 0.090 0.000 2.418 49 L HA 0.237 4.574 4.340 -0.005 0.000 0.274 49 L C 1.682 178.619 176.870 0.112 0.000 1.135 49 L CA 0.720 55.622 54.840 0.104 0.000 0.870 49 L CB 0.127 42.281 42.059 0.159 0.000 1.154 49 L HN 1.043 nan 8.230 nan 0.000 0.462 50 T N 1.921 116.540 114.554 0.109 0.000 2.708 50 T HA -0.082 4.265 4.350 -0.005 0.000 0.266 50 T C 0.567 175.333 174.700 0.109 0.000 1.037 50 T CA 0.882 63.041 62.100 0.099 0.000 1.146 50 T CB -0.299 68.627 68.868 0.098 0.000 0.865 50 T HN 0.716 nan 8.240 nan 0.000 0.435 51 K N -0.398 120.120 120.400 0.195 0.000 4.260 51 K HA -0.015 4.302 4.320 -0.005 0.000 0.975 51 K C -1.671 175.055 176.600 0.211 0.000 1.500 51 K CA -0.148 56.207 56.287 0.113 0.000 1.221 51 K CB -1.143 31.327 32.500 -0.051 0.000 3.284 51 K HN 0.690 nan 8.250 nan 0.000 0.185 52 W N 4.147 125.514 121.300 0.112 0.000 2.529 52 W HA 0.697 5.354 4.660 -0.005 0.000 0.321 52 W C 0.083 176.672 176.519 0.117 0.000 1.047 52 W CA -0.159 57.267 57.345 0.135 0.000 1.216 52 W CB 0.949 30.539 29.460 0.218 0.000 1.357 52 W HN 0.695 nan 8.180 nan 0.000 0.489 53 S N 1.971 117.756 115.700 0.142 0.000 2.625 53 S HA 0.603 5.070 4.470 -0.005 0.000 0.258 53 S C 0.508 175.295 174.600 0.312 0.000 1.256 53 S CA 0.393 58.669 58.200 0.126 0.000 0.983 53 S CB -0.146 63.107 63.200 0.089 0.000 1.032 53 S HN 1.723 nan 8.310 nan 0.000 0.572 54 D N -1.043 119.493 120.400 0.227 0.000 5.377 54 D HA -0.139 4.498 4.640 -0.005 0.000 0.315 54 D C -0.430 176.114 176.300 0.406 0.000 2.498 54 D CA 0.875 55.031 54.000 0.259 0.000 1.245 54 D CB -1.698 39.236 40.800 0.223 0.000 1.150 54 D HN 0.969 nan 8.370 nan 0.000 1.307 55 I N 0.022 120.797 120.570 0.342 0.000 2.382 55 I HA 0.365 4.532 4.170 -0.005 0.000 0.286 55 I C 0.253 176.583 176.117 0.356 0.000 1.002 55 I CA -0.533 61.002 61.300 0.391 0.000 1.135 55 I CB 1.669 39.804 38.000 0.225 0.000 1.288 55 I HN 0.696 nan 8.210 nan 0.000 0.448 56 W N 7.166 128.627 121.300 0.268 0.000 2.303 56 W HA 0.157 4.814 4.660 -0.005 0.000 0.318 56 W C -0.551 175.998 176.519 0.050 0.000 1.362 56 W CA -0.132 57.184 57.345 -0.049 0.000 1.234 56 W CB 0.786 30.130 29.460 -0.194 0.000 1.248 56 W HN 0.492 nan 8.180 nan 0.000 0.546 57 N N 4.661 123.199 118.700 -0.271 0.000 2.408 57 N HA 0.283 5.019 4.740 -0.005 0.000 0.257 57 N C -0.373 175.185 175.510 0.081 0.000 1.064 57 N CA -0.003 53.011 53.050 -0.061 0.000 0.952 57 N CB 1.646 40.033 38.487 -0.167 0.000 1.093 57 N HN 0.398 nan 8.380 nan 0.000 0.490 58 A N 1.574 124.548 122.820 0.256 0.000 3.056 58 A HA 0.345 4.662 4.320 -0.005 0.000 0.328 58 A C 0.784 178.375 177.584 0.012 0.000 1.233 58 A CA -0.544 51.657 52.037 0.274 0.000 0.965 58 A CB -0.399 18.851 19.000 0.417 0.000 1.123 58 A HN 0.612 nan 8.150 nan 0.000 0.502 59 T N -2.539 111.980 114.554 -0.059 0.000 3.016 59 T HA 0.284 4.631 4.350 -0.005 0.000 0.271 59 T C 0.334 174.940 174.700 -0.158 0.000 0.968 59 T CA 0.028 62.047 62.100 -0.135 0.000 0.891 59 T CB -0.276 68.521 68.868 -0.117 0.000 1.149 59 T HN 0.658 nan 8.240 nan 0.000 0.524 60 K N 0.203 120.520 120.400 -0.138 0.000 2.477 60 K HA 0.637 4.954 4.320 -0.005 0.000 0.255 60 K C -1.504 175.018 176.600 -0.129 0.000 0.952 60 K CA -1.162 55.034 56.287 -0.152 0.000 0.826 60 K CB 1.024 33.469 32.500 -0.090 0.000 1.331 60 K HN -0.110 nan 8.250 nan 0.000 0.437 61 Y N 1.080 121.351 120.300 -0.049 0.000 2.683 61 Y HA 0.179 4.726 4.550 -0.005 0.000 0.340 61 Y C 1.021 176.862 175.900 -0.099 0.000 1.245 61 Y CA 0.619 58.690 58.100 -0.048 0.000 1.485 61 Y CB 0.491 38.939 38.460 -0.020 0.000 1.328 61 Y HN 0.830 nan 8.280 nan 0.000 0.603 62 A N 2.414 125.268 122.820 0.056 0.000 2.517 62 A HA 0.440 4.757 4.320 -0.005 0.000 0.280 62 A C -0.100 177.409 177.584 -0.124 0.000 1.353 62 A CA -0.966 50.947 52.037 -0.206 0.000 0.907 62 A CB 0.185 18.732 19.000 -0.756 0.000 1.495 62 A HN 0.753 nan 8.150 nan 0.000 0.506 63 N N 0.633 119.223 118.700 -0.184 0.000 2.479 63 N HA 0.227 4.964 4.740 -0.005 0.000 0.257 63 N C -0.153 175.352 175.510 -0.009 0.000 1.232 63 N CA 0.264 53.272 53.050 -0.071 0.000 0.920 63 N CB 0.428 38.888 38.487 -0.046 0.000 1.105 63 N HN 0.487 nan 8.380 nan 0.000 0.444 64 S N 0.619 116.306 115.700 -0.022 0.000 2.592 64 S HA 0.241 4.708 4.470 -0.005 0.000 0.271 64 S C 0.498 175.097 174.600 -0.000 0.000 1.326 64 S CA -0.803 57.385 58.200 -0.019 0.000 1.024 64 S CB 0.547 63.705 63.200 -0.069 0.000 0.921 64 S HN 0.502 nan 8.310 nan 0.000 0.527 65 c N 1.338 119.944 118.600 0.009 0.000 2.745 65 c HA 0.166 4.733 4.570 -0.005 0.000 0.387 65 c C 1.262 175.349 174.090 -0.006 0.000 1.312 65 c CA -1.088 55.247 56.329 0.009 0.000 2.204 65 c CB -0.805 41.717 42.510 0.019 0.000 2.686 65 c HN 0.811 nan 8.230 nan 0.000 0.705 66 C N 2.932 122.227 119.300 -0.009 0.000 2.634 66 C HA 0.412 4.869 4.460 -0.005 0.000 0.418 66 C C 0.394 175.386 174.990 0.003 0.000 1.373 66 C CA 0.285 59.297 59.018 -0.010 0.000 1.756 66 C CB -1.899 25.827 27.740 -0.024 0.000 2.589 66 C HN 0.964 nan 8.230 nan 0.000 0.602 67 Q N 2.722 122.525 119.800 0.005 0.000 2.633 67 Q HA 0.358 4.695 4.340 -0.005 0.000 0.289 67 Q C -1.502 174.511 176.000 0.022 0.000 0.940 67 Q CA -0.874 54.941 55.803 0.021 0.000 0.785 67 Q CB 0.827 29.578 28.738 0.021 0.000 1.467 67 Q HN 0.626 nan 8.270 nan 0.000 0.401 68 N N 0.537 119.256 118.700 0.032 0.000 2.508 68 N HA 0.278 5.015 4.740 -0.005 0.000 0.264 68 N C -0.644 174.887 175.510 0.034 0.000 1.216 68 N CA 0.136 53.204 53.050 0.031 0.000 0.943 68 N CB 0.510 39.015 38.487 0.029 0.000 1.113 68 N HN 0.386 nan 8.380 nan 0.000 0.447 69 I N 0.662 121.255 120.570 0.039 0.000 2.607 69 I HA 0.097 4.264 4.170 -0.005 0.000 0.305 69 I C 0.363 176.525 176.117 0.075 0.000 0.995 69 I CA -1.171 60.160 61.300 0.051 0.000 1.148 69 I CB 1.109 39.136 38.000 0.045 0.000 1.323 69 I HN 0.370 nan 8.210 nan 0.000 0.461 70 D N 3.459 123.925 120.400 0.110 0.000 2.336 70 D HA 0.206 4.843 4.640 -0.005 0.000 0.249 70 D C -0.147 176.241 176.300 0.146 0.000 1.213 70 D CA 0.133 54.232 54.000 0.164 0.000 0.870 70 D CB 0.604 41.557 40.800 0.255 0.000 1.076 70 D HN 0.439 nan 8.370 nan 0.000 0.483 71 Q N 1.951 121.807 119.800 0.093 0.000 2.175 71 Q HA 0.185 4.522 4.340 -0.005 0.000 0.225 71 Q C 1.218 177.198 176.000 -0.032 0.000 0.837 71 Q CA -0.293 55.539 55.803 0.048 0.000 1.032 71 Q CB 0.711 29.468 28.738 0.031 0.000 1.137 71 Q HN 0.290 nan 8.270 nan 0.000 0.483 72 S N 0.318 115.955 115.700 -0.104 0.000 2.383 72 S HA -0.013 4.454 4.470 -0.005 0.000 0.227 72 S C 0.228 174.407 174.600 -0.701 0.000 1.026 72 S CA 0.970 58.861 58.200 -0.516 0.000 0.981 72 S CB 0.104 62.769 63.200 -0.890 0.000 0.818 72 S HN 0.354 nan 8.310 nan 0.000 0.472 73 F N 1.436 121.444 119.950 0.097 0.000 2.597 73 F HA 0.390 4.913 4.527 -0.005 0.000 0.336 73 F C -2.840 173.027 175.800 0.112 0.000 1.432 73 F CA -3.062 54.990 58.000 0.086 0.000 1.120 73 F CB 0.086 39.182 39.000 0.160 0.000 1.253 73 F HN -0.107 nan 8.300 nan 0.000 0.546 74 P HA 0.182 nan 4.420 nan 0.000 0.262 74 P C 1.075 178.459 177.300 0.140 0.000 1.182 74 P CA 1.113 64.290 63.100 0.128 0.000 0.761 74 P CB 0.869 32.610 31.700 0.069 0.000 0.795 75 G N 1.944 110.819 108.800 0.125 0.000 2.225 75 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.254 75 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.254 75 G C -0.125 174.871 174.900 0.160 0.000 0.988 75 G CA -0.391 44.772 45.100 0.105 0.000 0.625 75 G HN 0.536 nan 8.290 nan 0.000 0.527 76 F N 2.581 122.530 119.950 -0.002 0.000 2.438 76 F HA 0.645 5.168 4.527 -0.005 0.000 0.360 76 F C 1.392 177.140 175.800 -0.086 0.000 1.118 76 F CA -0.988 56.959 58.000 -0.088 0.000 1.164 76 F CB 0.733 39.644 39.000 -0.149 0.000 1.131 76 F HN 0.205 nan 8.300 nan 0.000 0.527 77 H N 4.707 123.433 119.070 -0.573 0.000 2.319 77 H HA -0.098 4.454 4.556 -0.005 0.000 0.297 77 H C 2.222 177.021 175.328 -0.882 0.000 1.097 77 H CA 2.099 57.779 56.048 -0.613 0.000 1.285 77 H CB -0.507 28.988 29.762 -0.446 0.000 1.368 77 H HN 0.779 nan 8.280 nan 0.000 0.495 78 G N -0.857 106.808 108.800 -1.893 0.000 2.703 78 G HA2 -0.419 3.537 3.960 -0.005 0.000 0.222 78 G HA3 -0.419 3.537 3.960 -0.005 0.000 0.222 78 G C 1.927 176.602 174.900 -0.374 0.000 1.183 78 G CA 2.506 46.602 45.100 -1.674 0.000 0.775 78 G HN 0.629 nan 8.290 nan 0.000 0.615 79 S N -0.324 115.221 115.700 -0.257 0.000 2.441 79 S HA 0.142 4.608 4.470 -0.005 0.000 0.224 79 S C 1.902 176.663 174.600 0.269 0.000 1.043 79 S CA 0.995 59.476 58.200 0.468 0.000 0.948 79 S CB -0.024 63.603 63.200 0.712 0.000 0.810 79 S HN 0.570 nan 8.310 nan 0.000 0.504 80 E N 2.212 122.418 120.200 0.011 0.000 2.274 80 E HA -0.030 4.317 4.350 -0.005 0.000 0.194 80 E C 2.029 178.549 176.600 -0.132 0.000 0.996 80 E CA 1.059 57.459 56.400 0.001 0.000 0.840 80 E CB -0.464 29.242 29.700 0.009 0.000 0.772 80 E HN 0.791 nan 8.360 nan 0.000 0.491 81 M N -1.370 117.996 119.600 -0.390 0.000 2.530 81 M HA -0.107 4.370 4.480 -0.005 0.000 0.261 81 M C 0.931 176.836 176.300 -0.658 0.000 1.067 81 M CA 1.458 56.399 55.300 -0.598 0.000 1.071 81 M CB -0.499 31.466 32.600 -1.058 0.000 1.405 81 M HN 0.071 nan 8.290 nan 0.000 0.478 82 W N 0.886 122.104 121.300 -0.138 0.000 3.114 82 W HA 0.264 4.921 4.660 -0.005 0.000 0.279 82 W C 0.369 176.819 176.519 -0.115 0.000 1.277 82 W CA -0.973 56.291 57.345 -0.136 0.000 1.630 82 W CB 0.020 29.443 29.460 -0.062 0.000 1.087 82 W HN 0.116 nan 8.180 nan 0.000 0.637 83 N N 2.049 120.789 118.700 0.066 0.000 2.513 83 N HA 0.158 4.894 4.740 -0.005 0.000 0.274 83 N C -2.316 173.166 175.510 -0.047 0.000 1.189 83 N CA -1.393 51.675 53.050 0.030 0.000 0.975 83 N CB 0.063 38.574 38.487 0.039 0.000 1.157 83 N HN -0.276 nan 8.380 nan 0.000 0.465 84 P HA 0.146 nan 4.420 nan 0.000 0.272 84 P C -0.107 177.137 177.300 -0.094 0.000 1.223 84 P CA -0.145 62.897 63.100 -0.098 0.000 0.784 84 P CB 0.477 32.125 31.700 -0.087 0.000 0.923 85 N N -0.603 118.024 118.700 -0.122 0.000 2.377 85 N HA 0.088 4.825 4.740 -0.005 0.000 0.259 85 N C -0.769 174.687 175.510 -0.090 0.000 1.332 85 N CA -0.372 52.614 53.050 -0.108 0.000 0.877 85 N CB -0.039 38.365 38.487 -0.138 0.000 1.299 85 N HN 0.420 nan 8.380 nan 0.000 0.501 86 T N -3.352 111.154 114.554 -0.080 0.000 2.868 86 T HA 0.424 4.771 4.350 -0.005 0.000 0.306 86 T C -1.077 173.593 174.700 -0.049 0.000 1.224 86 T CA -0.698 61.370 62.100 -0.054 0.000 1.012 86 T CB 1.469 70.310 68.868 -0.044 0.000 1.221 86 T HN -0.087 nan 8.240 nan 0.000 0.499 87 D N 1.009 121.384 120.400 -0.041 0.000 2.449 87 D HA 0.295 4.932 4.640 -0.005 0.000 0.236 87 D C 0.133 176.412 176.300 -0.034 0.000 1.149 87 D CA 0.116 54.094 54.000 -0.036 0.000 0.878 87 D CB 0.343 41.122 40.800 -0.035 0.000 1.198 87 D HN 0.425 nan 8.370 nan 0.000 0.446 88 L N 1.393 122.600 121.223 -0.027 0.000 2.371 88 L HA 0.469 4.806 4.340 -0.005 0.000 0.272 88 L C 0.379 177.239 176.870 -0.017 0.000 1.124 88 L CA -0.173 54.654 54.840 -0.022 0.000 0.816 88 L CB 1.080 43.129 42.059 -0.018 0.000 1.129 88 L HN 0.400 nan 8.230 nan 0.000 0.448 89 S N 0.696 116.390 115.700 -0.011 0.000 2.558 89 S HA 0.138 4.605 4.470 -0.005 0.000 0.277 89 S C 0.203 174.799 174.600 -0.007 0.000 1.143 89 S CA -0.697 57.497 58.200 -0.009 0.000 0.865 89 S CB 1.437 64.635 63.200 -0.003 0.000 1.102 89 S HN 0.753 nan 8.310 nan 0.000 0.454 90 E N 1.017 121.204 120.200 -0.023 0.000 2.331 90 E HA -0.131 4.216 4.350 -0.005 0.000 0.199 90 E C -0.189 176.403 176.600 -0.012 0.000 1.008 90 E CA 1.111 57.488 56.400 -0.038 0.000 0.843 90 E CB -0.023 29.635 29.700 -0.070 0.000 0.761 90 E HN 0.581 nan 8.360 nan 0.000 0.507 91 D N -0.127 120.289 120.400 0.027 0.000 2.485 91 D HA 0.044 4.681 4.640 -0.005 0.000 0.221 91 D C 0.029 176.453 176.300 0.206 0.000 1.112 91 D CA -0.580 53.469 54.000 0.083 0.000 0.911 91 D CB 0.194 41.044 40.800 0.083 0.000 1.019 91 D HN 0.090 nan 8.370 nan 0.000 0.516 92 c N 2.693 121.405 118.600 0.187 0.000 3.865 92 c HA 0.384 4.951 4.570 -0.005 0.000 0.297 92 c C 0.163 174.390 174.090 0.228 0.000 1.758 92 c CA -0.712 55.767 56.329 0.250 0.000 1.778 92 c CB -1.295 41.279 42.510 0.106 0.000 3.158 92 c HN 0.485 nan 8.230 nan 0.000 0.598 93 L N 2.591 123.734 121.223 -0.133 0.000 2.358 93 L HA 0.500 4.836 4.340 -0.005 0.000 0.274 93 L C -1.015 175.270 176.870 -0.975 0.000 1.136 93 L CA 0.360 54.849 54.840 -0.584 0.000 0.970 93 L CB -0.428 41.151 42.059 -0.801 0.000 1.314 93 L HN 0.353 nan 8.230 nan 0.000 0.427 94 Y N 2.253 122.509 120.300 -0.074 0.000 2.588 94 Y HA 0.661 5.207 4.550 -0.005 0.000 0.343 94 Y C -0.263 175.780 175.900 0.239 0.000 1.065 94 Y CA -1.223 56.906 58.100 0.049 0.000 1.038 94 Y CB 2.018 40.487 38.460 0.015 0.000 1.297 94 Y HN 0.214 nan 8.280 nan 0.000 0.467 95 L N -0.324 120.992 121.223 0.155 0.000 2.341 95 L HA 0.795 5.131 4.340 -0.005 0.000 0.254 95 L C -1.258 175.564 176.870 -0.081 0.000 1.040 95 L CA -1.080 53.759 54.840 -0.003 0.000 0.837 95 L CB 1.702 43.590 42.059 -0.285 0.000 1.425 95 L HN 0.434 nan 8.230 nan 0.000 0.414 96 N N -0.152 118.494 118.700 -0.089 0.000 2.335 96 N HA 0.776 5.513 4.740 -0.005 0.000 0.304 96 N C -1.387 173.955 175.510 -0.280 0.000 1.135 96 N CA -0.462 52.434 53.050 -0.257 0.000 0.817 96 N CB 2.814 41.064 38.487 -0.395 0.000 1.294 96 N HN 0.500 nan 8.380 nan 0.000 0.497 97 V N 0.887 120.595 119.914 -0.343 0.000 2.656 97 V HA 0.482 4.599 4.120 -0.005 0.000 0.307 97 V C -0.919 175.112 176.094 -0.106 0.000 1.051 97 V CA -0.798 61.397 62.300 -0.174 0.000 0.893 97 V CB 2.524 34.154 31.823 -0.321 0.000 0.999 97 V HN 0.550 nan 8.190 nan 0.000 0.426 98 W N 5.532 126.921 121.300 0.148 0.000 2.538 98 W HA 0.698 5.355 4.660 -0.005 0.000 0.322 98 W C -0.454 176.161 176.519 0.160 0.000 1.028 98 W CA -0.514 56.929 57.345 0.163 0.000 1.228 98 W CB 2.096 31.620 29.460 0.106 0.000 1.356 98 W HN 0.619 nan 8.180 nan 0.000 0.452 99 I N 2.095 122.910 120.570 0.410 0.000 2.603 99 I HA 0.655 4.822 4.170 -0.005 0.000 0.300 99 I C -2.587 173.675 176.117 0.243 0.000 1.017 99 I CA -3.115 58.372 61.300 0.312 0.000 1.098 99 I CB 2.284 40.484 38.000 0.333 0.000 1.279 99 I HN -0.029 nan 8.210 nan 0.000 0.437 100 P HA 0.280 nan 4.420 nan 0.000 0.272 100 P C -1.154 176.227 177.300 0.135 0.000 1.223 100 P CA -0.300 62.882 63.100 0.136 0.000 0.784 100 P CB 0.924 32.691 31.700 0.112 0.000 0.923 101 A N 2.973 125.857 122.820 0.107 0.000 2.318 101 A HA 0.682 4.999 4.320 -0.005 0.000 0.317 101 A C -2.439 175.190 177.584 0.076 0.000 1.159 101 A CA -1.544 50.548 52.037 0.093 0.000 0.799 101 A CB -0.088 18.961 19.000 0.080 0.000 1.194 101 A HN 0.369 nan 8.150 nan 0.000 0.479 102 P HA 0.166 nan 4.420 nan 0.000 0.274 102 P C -0.280 177.072 177.300 0.086 0.000 1.231 102 P CA -0.516 62.627 63.100 0.072 0.000 0.790 102 P CB 0.510 32.245 31.700 0.058 0.000 0.951 103 K N 3.142 123.598 120.400 0.094 0.000 2.504 103 K HA -0.010 4.307 4.320 -0.005 0.000 0.278 103 K C -1.888 174.765 176.600 0.089 0.000 1.025 103 K CA -0.683 55.669 56.287 0.107 0.000 1.093 103 K CB -0.257 32.300 32.500 0.096 0.000 0.873 103 K HN 0.362 nan 8.250 nan 0.000 0.483 104 P HA 0.156 nan 4.420 nan 0.000 0.282 104 P C -0.076 177.264 177.300 0.068 0.000 1.287 104 P CA -0.412 62.736 63.100 0.079 0.000 0.792 104 P CB 0.819 32.570 31.700 0.085 0.000 1.163 105 K N -0.826 119.608 120.400 0.056 0.000 2.240 105 K HA 0.102 4.419 4.320 -0.005 0.000 0.202 105 K C 0.303 176.929 176.600 0.043 0.000 1.053 105 K CA 0.853 57.167 56.287 0.045 0.000 0.973 105 K CB 0.034 32.557 32.500 0.039 0.000 0.924 105 K HN 0.345 nan 8.250 nan 0.000 0.477 106 N N 0.316 119.042 118.700 0.043 0.000 2.700 106 N HA 0.183 4.920 4.740 -0.005 0.000 0.242 106 N C -1.661 173.870 175.510 0.035 0.000 1.541 106 N CA -0.065 53.007 53.050 0.037 0.000 0.764 106 N CB 0.907 39.412 38.487 0.030 0.000 1.319 106 N HN 0.055 nan 8.380 nan 0.000 0.518 107 A N 0.399 123.246 122.820 0.045 0.000 2.371 107 A HA 0.472 4.788 4.320 -0.005 0.000 0.257 107 A C 0.500 178.095 177.584 0.019 0.000 1.089 107 A CA 0.077 52.136 52.037 0.038 0.000 0.794 107 A CB 0.096 19.133 19.000 0.061 0.000 1.029 107 A HN 0.363 nan 8.150 nan 0.000 0.488 108 T N 1.573 116.119 114.554 -0.013 0.000 2.916 108 T HA 0.350 4.697 4.350 -0.005 0.000 0.303 108 T C 0.107 174.804 174.700 -0.005 0.000 1.025 108 T CA 0.097 62.176 62.100 -0.036 0.000 1.142 108 T CB 0.328 69.133 68.868 -0.105 0.000 0.947 108 T HN 0.418 nan 8.240 nan 0.000 0.544 109 V N 5.406 125.327 119.914 0.011 0.000 2.347 109 V HA 0.326 4.443 4.120 -0.005 0.000 0.280 109 V C 0.185 176.308 176.094 0.049 0.000 1.021 109 V CA -0.768 61.562 62.300 0.051 0.000 0.847 109 V CB 0.978 32.844 31.823 0.072 0.000 0.990 109 V HN 0.690 nan 8.190 nan 0.000 0.444 110 L N 6.387 127.648 121.223 0.064 0.000 2.265 110 L HA 0.549 4.886 4.340 -0.005 0.000 0.288 110 L C -0.425 176.672 176.870 0.380 0.000 1.058 110 L CA -0.171 54.718 54.840 0.082 0.000 0.809 110 L CB 1.194 43.176 42.059 -0.128 0.000 1.179 110 L HN 0.513 nan 8.230 nan 0.000 0.429 111 I N 3.407 124.245 120.570 0.447 0.000 2.382 111 I HA 0.221 4.388 4.170 -0.005 0.000 0.286 111 I C -0.338 176.047 176.117 0.446 0.000 1.002 111 I CA -0.428 61.099 61.300 0.379 0.000 1.135 111 I CB 1.685 39.775 38.000 0.151 0.000 1.288 111 I HN 0.649 nan 8.210 nan 0.000 0.448 112 W N 8.514 129.885 121.300 0.118 0.000 2.316 112 W HA 0.515 5.172 4.660 -0.006 0.000 0.311 112 W C -1.367 175.025 176.519 -0.212 0.000 1.217 112 W CA -0.545 56.587 57.345 -0.354 0.000 1.199 112 W CB 1.082 30.338 29.460 -0.340 0.000 1.202 112 W HN 0.343 nan 8.180 nan 0.000 0.528 113 I N 8.973 128.926 120.570 -1.029 0.000 2.354 113 I HA 0.085 4.252 4.170 -0.005 0.000 0.286 113 I C -0.273 175.097 176.117 -1.244 0.000 1.007 113 I CA -1.122 59.653 61.300 -0.875 0.000 1.167 113 I CB 0.579 38.229 38.000 -0.584 0.000 1.320 113 I HN 0.293 nan 8.210 nan 0.000 0.458 114 Y N 4.455 124.369 120.300 -0.643 0.000 2.357 114 Y HA 0.723 5.270 4.550 -0.005 0.000 0.340 114 Y C 0.761 176.514 175.900 -0.246 0.000 1.260 114 Y CA -0.833 56.973 58.100 -0.489 0.000 1.425 114 Y CB 0.021 38.477 38.460 -0.007 0.000 1.326 114 Y HN 0.538 nan 8.280 nan 0.000 0.580 115 G N -0.867 107.960 108.800 0.045 0.000 2.606 115 G HA2 0.493 4.450 3.960 -0.005 0.000 0.262 115 G HA3 0.493 4.450 3.960 -0.005 0.000 0.262 115 G C 0.273 175.247 174.900 0.123 0.000 1.394 115 G CA -0.928 44.158 45.100 -0.024 0.000 1.044 115 G HN 1.662 nan 8.290 nan 0.000 0.553 116 G N -3.014 105.754 108.800 -0.054 0.000 2.665 116 G HA2 0.417 4.374 3.960 -0.005 0.000 0.220 116 G HA3 0.417 4.374 3.960 -0.005 0.000 0.220 116 G C 1.071 175.913 174.900 -0.098 0.000 1.002 116 G CA 0.809 45.894 45.100 -0.025 0.000 0.893 116 G HN 2.294 nan 8.290 nan 0.000 0.586 117 G N -0.402 108.249 108.800 -0.249 0.000 2.186 117 G HA2 -0.178 3.779 3.960 -0.005 0.000 0.266 117 G HA3 -0.178 3.779 3.960 -0.005 0.000 0.266 117 G C 0.938 175.829 174.900 -0.015 0.000 0.982 117 G CA 0.837 45.799 45.100 -0.231 0.000 0.670 117 G HN 1.675 nan 8.290 nan 0.000 0.533 118 F N -2.646 117.331 119.950 0.045 0.000 2.871 118 F HA -0.246 4.278 4.527 -0.006 0.000 0.326 118 F C 1.695 177.580 175.800 0.141 0.000 0.675 118 F CA 1.956 59.987 58.000 0.052 0.000 1.188 118 F CB -1.527 37.315 39.000 -0.262 0.000 1.567 118 F HN 0.416 nan 8.300 nan 0.000 0.325 119 Q N -0.773 119.161 119.800 0.223 0.000 2.316 119 Q HA 0.301 4.637 4.340 -0.005 0.000 0.235 119 Q C 1.159 177.241 176.000 0.137 0.000 0.863 119 Q CA 1.366 57.288 55.803 0.199 0.000 0.939 119 Q CB 0.938 29.757 28.738 0.135 0.000 1.108 119 Q HN 0.568 nan 8.270 nan 0.000 0.522 120 T N -3.167 111.451 114.554 0.106 0.000 2.843 120 T HA 0.797 5.144 4.350 -0.005 0.000 0.302 120 T C -0.090 174.635 174.700 0.041 0.000 1.232 120 T CA -0.283 61.850 62.100 0.054 0.000 1.009 120 T CB 2.431 71.315 68.868 0.027 0.000 1.254 120 T HN 0.282 nan 8.240 nan 0.000 0.504 121 G N -0.403 108.326 108.800 -0.118 0.000 2.339 121 G HA2 0.446 4.403 3.960 -0.005 0.000 0.381 121 G HA3 0.446 4.403 3.960 -0.005 0.000 0.381 121 G C -0.835 173.533 174.900 -0.888 0.000 1.400 121 G CA -0.042 44.840 45.100 -0.363 0.000 1.002 121 G HN 1.441 nan 8.290 nan 0.000 0.633 122 T N -1.607 112.352 114.554 -0.992 0.000 2.932 122 T HA 0.601 4.948 4.350 -0.005 0.000 0.318 122 T C 1.333 175.830 174.700 -0.338 0.000 1.265 122 T CA 0.925 62.576 62.100 -0.748 0.000 1.036 122 T CB 1.246 69.926 68.868 -0.313 0.000 1.209 122 T HN 1.977 nan 8.240 nan 0.000 0.484 123 S N 1.443 117.185 115.700 0.069 0.000 2.603 123 S HA 0.015 4.482 4.470 -0.005 0.000 0.229 123 S C 1.477 176.189 174.600 0.187 0.000 0.972 123 S CA 0.795 59.246 58.200 0.418 0.000 0.935 123 S CB -0.374 63.126 63.200 0.500 0.000 0.769 123 S HN 0.764 nan 8.310 nan 0.000 0.536 124 S N 0.814 116.397 115.700 -0.195 0.000 2.557 124 S HA 0.388 4.854 4.470 -0.005 0.000 0.223 124 S C 0.486 174.747 174.600 -0.566 0.000 0.969 124 S CA -0.737 56.984 58.200 -0.797 0.000 0.927 124 S CB -0.545 61.856 63.200 -1.332 0.000 0.806 124 S HN 0.471 nan 8.310 nan 0.000 0.489 125 L N 2.123 123.104 121.223 -0.405 0.000 2.506 125 L HA 0.064 4.401 4.340 -0.005 0.000 0.281 125 L C 2.167 178.765 176.870 -0.452 0.000 1.228 125 L CA 0.084 54.610 54.840 -0.523 0.000 0.850 125 L CB 0.064 41.595 42.059 -0.881 0.000 1.110 125 L HN 0.414 nan 8.230 nan 0.000 0.496 126 H N 2.196 121.001 119.070 -0.442 0.000 2.421 126 H HA -0.091 4.462 4.556 -0.005 0.000 0.298 126 H C 1.577 176.677 175.328 -0.379 0.000 1.087 126 H CA 1.830 57.703 56.048 -0.293 0.000 1.330 126 H CB 0.540 30.164 29.762 -0.229 0.000 1.388 126 H HN 0.584 nan 8.280 nan 0.000 0.526 127 V N -1.268 118.189 119.914 -0.762 0.000 3.461 127 V HA -0.071 4.046 4.120 -0.005 0.000 0.267 127 V C 0.682 176.214 176.094 -0.937 0.000 1.186 127 V CA 0.555 62.392 62.300 -0.770 0.000 1.154 127 V CB -0.953 30.469 31.823 -0.668 0.000 0.802 127 V HN 0.249 nan 8.190 nan 0.000 0.474 128 Y N 0.013 119.696 120.300 -1.028 0.000 2.658 128 Y HA 0.467 5.014 4.550 -0.005 0.000 0.276 128 Y C 0.703 175.933 175.900 -1.117 0.000 1.167 128 Y CA -2.006 55.122 58.100 -1.620 0.000 1.230 128 Y CB -0.613 37.337 38.460 -0.851 0.000 1.144 128 Y HN 0.224 nan 8.280 nan 0.000 0.529 129 D N 0.684 120.701 120.400 -0.638 0.000 2.339 129 D HA 0.116 4.753 4.640 -0.005 0.000 0.256 129 D C 1.315 177.229 176.300 -0.644 0.000 1.214 129 D CA 0.254 54.004 54.000 -0.416 0.000 0.877 129 D CB 1.445 42.119 40.800 -0.210 0.000 1.111 129 D HN 0.467 nan 8.370 nan 0.000 0.478 130 G N 3.641 111.508 108.800 -1.554 0.000 2.956 130 G HA2 -0.159 3.798 3.960 -0.005 0.000 0.207 130 G HA3 -0.159 3.798 3.960 -0.005 0.000 0.207 130 G C 1.330 175.520 174.900 -1.185 0.000 1.162 130 G CA 0.152 44.490 45.100 -1.270 0.000 0.796 130 G HN 0.563 nan 8.290 nan 0.000 0.527 131 K N -0.435 119.218 120.400 -1.245 0.000 2.243 131 K HA 0.085 4.402 4.320 -0.005 0.000 0.201 131 K C 1.623 177.841 176.600 -0.637 0.000 1.051 131 K CA 0.326 56.127 56.287 -0.809 0.000 0.970 131 K CB -0.360 31.743 32.500 -0.661 0.000 0.755 131 K HN 0.193 nan 8.250 nan 0.000 0.465 132 F N 2.452 122.254 119.950 -0.247 0.000 2.075 132 F HA -0.086 4.438 4.527 -0.005 0.000 0.297 132 F C 2.272 178.036 175.800 -0.060 0.000 1.113 132 F CA 0.947 58.863 58.000 -0.139 0.000 1.218 132 F CB -0.964 38.002 39.000 -0.056 0.000 0.984 132 F HN -0.157 nan 8.300 nan 0.000 0.472 133 L N -0.007 121.243 121.223 0.045 0.000 2.013 133 L HA -0.291 4.046 4.340 -0.005 0.000 0.212 133 L C 2.721 179.600 176.870 0.015 0.000 1.073 133 L CA 1.494 56.332 54.840 -0.003 0.000 0.753 133 L CB -1.075 40.936 42.059 -0.081 0.000 0.890 133 L HN 0.226 nan 8.230 nan 0.000 0.432 134 A N -0.237 122.581 122.820 -0.003 0.000 1.872 134 A HA -0.209 4.108 4.320 -0.005 0.000 0.214 134 A C 2.307 179.926 177.584 0.057 0.000 1.187 134 A CA 1.578 53.645 52.037 0.051 0.000 0.614 134 A CB -0.456 18.605 19.000 0.102 0.000 0.826 134 A HN 0.304 nan 8.150 nan 0.000 0.442 135 R N 0.024 120.540 120.500 0.026 0.000 2.082 135 R HA -0.116 4.221 4.340 -0.005 0.000 0.234 135 R C 1.783 178.162 176.300 0.133 0.000 1.136 135 R CA 2.559 58.701 56.100 0.069 0.000 0.935 135 R CB -1.093 29.221 30.300 0.023 0.000 0.842 135 R HN 0.239 nan 8.270 nan 0.000 0.430 136 V N 0.632 120.648 119.914 0.170 0.000 2.488 136 V HA -0.041 4.076 4.120 -0.005 0.000 0.246 136 V C 1.511 177.661 176.094 0.094 0.000 1.046 136 V CA 1.839 64.237 62.300 0.163 0.000 1.053 136 V CB -0.344 31.595 31.823 0.193 0.000 0.679 136 V HN 0.348 nan 8.190 nan 0.000 0.458 137 E N -0.485 119.756 120.200 0.069 0.000 2.498 137 E HA 0.169 4.516 4.350 -0.005 0.000 0.203 137 E C 0.211 176.837 176.600 0.043 0.000 1.013 137 E CA -0.241 56.186 56.400 0.045 0.000 0.927 137 E CB 0.330 30.040 29.700 0.017 0.000 1.012 137 E HN 0.443 nan 8.360 nan 0.000 0.482 138 R N 0.327 120.862 120.500 0.059 0.000 3.502 138 R HA -0.144 4.193 4.340 -0.005 0.000 0.266 138 R C 0.587 176.917 176.300 0.049 0.000 1.077 138 R CA 0.772 56.910 56.100 0.063 0.000 0.718 138 R CB -2.933 27.405 30.300 0.063 0.000 1.120 138 R HN 0.117 nan 8.270 nan 0.000 0.457 139 V N -2.237 117.699 119.914 0.036 0.000 2.997 139 V HA 0.589 4.706 4.120 -0.005 0.000 0.311 139 V C 1.274 177.418 176.094 0.083 0.000 1.066 139 V CA -0.999 61.321 62.300 0.034 0.000 1.039 139 V CB 1.816 33.636 31.823 -0.006 0.000 1.081 139 V HN 0.148 nan 8.190 nan 0.000 0.467 140 I N 1.377 122.006 120.570 0.097 0.000 2.440 140 I HA 0.451 4.617 4.170 -0.005 0.000 0.294 140 I C -0.572 175.653 176.117 0.180 0.000 0.995 140 I CA -0.590 60.802 61.300 0.154 0.000 1.306 140 I CB 1.795 39.878 38.000 0.138 0.000 1.407 140 I HN 0.415 nan 8.210 nan 0.000 0.501 141 V N 6.802 126.893 119.914 0.294 0.000 2.444 141 V HA 0.407 4.524 4.120 -0.005 0.000 0.294 141 V C -0.161 176.241 176.094 0.512 0.000 1.022 141 V CA -0.619 61.919 62.300 0.395 0.000 0.850 141 V CB 1.837 33.880 31.823 0.366 0.000 0.992 141 V HN 0.386 nan 8.190 nan 0.000 0.426 142 V N 4.076 124.238 119.914 0.412 0.000 2.628 142 V HA 0.824 4.941 4.120 -0.005 0.000 0.306 142 V C -0.016 176.310 176.094 0.388 0.000 1.045 142 V CA -0.320 62.168 62.300 0.313 0.000 0.905 142 V CB 2.268 34.189 31.823 0.164 0.000 0.997 142 V HN 1.026 nan 8.190 nan 0.000 0.436 143 S N 4.777 120.693 115.700 0.360 0.000 2.564 143 S HA 0.885 5.352 4.470 -0.005 0.000 0.274 143 S C -0.919 173.817 174.600 0.226 0.000 1.124 143 S CA -0.845 57.575 58.200 0.367 0.000 0.869 143 S CB 2.351 65.895 63.200 0.573 0.000 1.105 143 S HN 0.888 nan 8.310 nan 0.000 0.472 144 M N 1.494 121.214 119.600 0.201 0.000 2.395 144 M HA 0.606 5.083 4.480 -0.005 0.000 0.307 144 M C -1.907 174.624 176.300 0.386 0.000 1.091 144 M CA -0.576 54.837 55.300 0.188 0.000 0.919 144 M CB 1.261 33.814 32.600 -0.078 0.000 1.662 144 M HN 0.570 nan 8.290 nan 0.000 0.440 145 N N 4.066 123.034 118.700 0.448 0.000 2.520 145 N HA 0.477 5.213 4.740 -0.005 0.000 0.273 145 N C -1.304 174.471 175.510 0.442 0.000 1.155 145 N CA 0.217 53.541 53.050 0.457 0.000 0.967 145 N CB 0.252 38.934 38.487 0.325 0.000 1.092 145 N HN 0.736 nan 8.380 nan 0.000 0.457 146 Y N -1.711 118.773 120.300 0.307 0.000 2.492 146 Y HA 0.529 5.076 4.550 -0.005 0.000 0.346 146 Y C 0.071 176.092 175.900 0.202 0.000 0.997 146 Y CA -1.374 56.846 58.100 0.200 0.000 1.025 146 Y CB 0.939 39.455 38.460 0.093 0.000 1.263 146 Y HN 0.215 nan 8.280 nan 0.000 0.454 147 R N 1.983 122.597 120.500 0.189 0.000 2.566 147 R HA 0.351 4.688 4.340 -0.005 0.000 0.273 147 R C -0.424 176.003 176.300 0.211 0.000 0.981 147 R CA 0.467 56.628 56.100 0.101 0.000 1.091 147 R CB 0.311 30.617 30.300 0.011 0.000 0.924 147 R HN 0.716 nan 8.270 nan 0.000 0.411 148 V N -0.455 119.586 119.914 0.211 0.000 3.102 148 V HA 0.901 5.018 4.120 -0.005 0.000 0.312 148 V C 0.498 176.787 176.094 0.326 0.000 1.135 148 V CA -0.177 62.366 62.300 0.405 0.000 1.022 148 V CB 1.517 33.494 31.823 0.258 0.000 1.056 148 V HN 1.031 nan 8.190 nan 0.000 0.436 149 G N 1.233 110.284 108.800 0.419 0.000 2.645 149 G HA2 0.137 4.094 3.960 -0.005 0.000 0.239 149 G HA3 0.137 4.094 3.960 -0.005 0.000 0.239 149 G C 0.926 175.929 174.900 0.170 0.000 1.331 149 G CA 0.633 45.910 45.100 0.296 0.000 0.890 149 G HN 2.265 nan 8.290 nan 0.000 0.572 150 A N -0.918 121.741 122.820 -0.269 0.000 1.940 150 A HA 0.067 4.384 4.320 -0.005 0.000 0.219 150 A C 2.679 180.231 177.584 -0.053 0.000 1.176 150 A CA 2.405 54.055 52.037 -0.646 0.000 0.631 150 A CB -0.431 17.978 19.000 -0.985 0.000 0.814 150 A HN 1.191 nan 8.150 nan 0.000 0.446 151 L N -1.115 120.102 121.223 -0.011 0.000 2.353 151 L HA -0.115 4.222 4.340 -0.005 0.000 0.220 151 L C 2.357 179.219 176.870 -0.013 0.000 1.133 151 L CA 0.910 55.718 54.840 -0.053 0.000 0.798 151 L CB -0.275 41.700 42.059 -0.140 0.000 0.922 151 L HN 0.520 nan 8.230 nan 0.000 0.445 152 G N -2.397 106.417 108.800 0.024 0.000 2.939 152 G HA2 0.069 4.026 3.960 -0.005 0.000 0.216 152 G HA3 0.069 4.026 3.960 -0.005 0.000 0.216 152 G C 0.752 175.365 174.900 -0.478 0.000 1.125 152 G CA -0.062 44.920 45.100 -0.196 0.000 0.766 152 G HN 0.292 nan 8.290 nan 0.000 0.541 153 F N -0.675 119.360 119.950 0.142 0.000 2.974 153 F HA 0.406 4.929 4.527 -0.005 0.000 0.357 153 F C 0.411 176.331 175.800 0.199 0.000 1.114 153 F CA -0.907 57.177 58.000 0.141 0.000 1.099 153 F CB 0.441 39.516 39.000 0.125 0.000 1.205 153 F HN -0.102 nan 8.300 nan 0.000 0.535 154 L N 2.328 123.698 121.223 0.244 0.000 2.640 154 L HA 0.303 4.640 4.340 -0.005 0.000 0.280 154 L C 0.133 177.071 176.870 0.114 0.000 1.229 154 L CA 0.435 55.361 54.840 0.143 0.000 0.919 154 L CB 0.125 42.102 42.059 -0.137 0.000 1.168 154 L HN 0.174 nan 8.230 nan 0.000 0.496 155 A N 5.706 128.602 122.820 0.126 0.000 2.393 155 A HA 0.748 5.064 4.320 -0.005 0.000 0.306 155 A C -1.595 175.999 177.584 0.017 0.000 1.050 155 A CA -0.572 51.503 52.037 0.063 0.000 0.724 155 A CB 1.432 20.486 19.000 0.089 0.000 1.248 155 A HN 0.538 nan 8.150 nan 0.000 0.424 156 L N 3.432 124.649 121.223 -0.009 0.000 2.427 156 L HA 0.506 4.843 4.340 -0.005 0.000 0.264 156 L C -2.641 174.228 176.870 -0.002 0.000 0.989 156 L CA -1.874 52.954 54.840 -0.019 0.000 0.865 156 L CB 1.508 43.538 42.059 -0.049 0.000 1.209 156 L HN 0.372 nan 8.230 nan 0.000 0.430 157 P HA 0.398 nan 4.420 nan 0.000 0.272 157 P C 0.761 178.072 177.300 0.019 0.000 1.223 157 P CA 0.689 63.802 63.100 0.022 0.000 0.784 157 P CB 1.003 32.719 31.700 0.027 0.000 0.923 158 G N 1.817 110.633 108.800 0.026 0.000 2.507 158 G HA2 -0.298 3.659 3.960 -0.005 0.000 0.240 158 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.240 158 G C 0.677 175.584 174.900 0.012 0.000 1.119 158 G CA -0.007 45.105 45.100 0.020 0.000 0.664 158 G HN 0.655 nan 8.290 nan 0.000 0.516 159 N N 2.488 121.191 118.700 0.006 0.000 2.416 159 N HA 0.282 5.019 4.740 -0.005 0.000 0.271 159 N C -0.890 174.619 175.510 -0.001 0.000 1.245 159 N CA -1.181 51.869 53.050 -0.001 0.000 0.940 159 N CB 1.260 39.740 38.487 -0.011 0.000 1.175 159 N HN 0.242 nan 8.380 nan 0.000 0.483 160 P HA -0.043 nan 4.420 nan 0.000 0.239 160 P C 0.345 177.645 177.300 0.001 0.000 1.184 160 P CA 0.671 63.766 63.100 -0.008 0.000 0.760 160 P CB 0.556 32.245 31.700 -0.018 0.000 0.884 161 E N 0.048 120.251 120.200 0.005 0.000 2.299 161 E HA 0.120 4.467 4.350 -0.005 0.000 0.193 161 E C 0.941 177.564 176.600 0.039 0.000 0.998 161 E CA 0.421 56.835 56.400 0.024 0.000 0.851 161 E CB 0.126 29.834 29.700 0.012 0.000 0.795 161 E HN 0.199 nan 8.360 nan 0.000 0.492 162 A N 1.292 124.112 122.820 0.001 0.000 3.124 162 A HA 0.319 4.636 4.320 -0.005 0.000 0.295 162 A C -2.292 175.296 177.584 0.005 0.000 1.199 162 A CA -0.828 51.198 52.037 -0.018 0.000 0.845 162 A CB 0.790 19.684 19.000 -0.178 0.000 1.381 162 A HN -0.140 nan 8.150 nan 0.000 0.537 163 P HA 0.257 nan 4.420 nan 0.000 0.235 163 P C 0.870 178.221 177.300 0.085 0.000 1.177 163 P CA 1.510 64.640 63.100 0.051 0.000 0.785 163 P CB 0.508 32.236 31.700 0.047 0.000 0.885 164 G N 0.431 109.289 108.800 0.097 0.000 2.555 164 G HA2 -0.110 3.847 3.960 -0.005 0.000 0.686 164 G HA3 -0.110 3.847 3.960 -0.005 0.000 0.686 164 G C -0.327 174.648 174.900 0.124 0.000 1.275 164 G CA -0.325 44.848 45.100 0.122 0.000 0.871 164 G HN 0.013 nan 8.290 nan 0.000 0.603 165 N N -1.498 117.265 118.700 0.105 0.000 2.713 165 N HA -0.242 4.495 4.740 -0.005 0.000 0.251 165 N C 1.709 177.108 175.510 -0.185 0.000 1.117 165 N CA 2.047 55.072 53.050 -0.041 0.000 0.770 165 N CB -1.069 37.363 38.487 -0.091 0.000 1.137 165 N HN 0.733 nan 8.380 nan 0.000 0.566 166 M N -0.502 118.991 119.600 -0.178 0.000 2.108 166 M HA -0.091 4.386 4.480 -0.005 0.000 0.257 166 M C 2.383 178.549 176.300 -0.224 0.000 1.071 166 M CA 2.333 57.577 55.300 -0.093 0.000 1.093 166 M CB -0.652 31.901 32.600 -0.079 0.000 1.345 166 M HN 0.346 nan 8.290 nan 0.000 0.403 167 G N -0.592 107.798 108.800 -0.684 0.000 2.422 167 G HA2 -0.090 3.867 3.960 -0.005 0.000 0.218 167 G HA3 -0.090 3.867 3.960 -0.005 0.000 0.218 167 G C 1.595 176.355 174.900 -0.234 0.000 1.140 167 G CA 0.456 45.346 45.100 -0.351 0.000 0.775 167 G HN 0.393 nan 8.290 nan 0.000 0.545 168 L N -0.737 120.237 121.223 -0.415 0.000 2.042 168 L HA -0.046 4.291 4.340 -0.005 0.000 0.210 168 L C 2.651 179.182 176.870 -0.565 0.000 1.076 168 L CA 1.081 55.515 54.840 -0.676 0.000 0.749 168 L CB -0.389 40.914 42.059 -1.259 0.000 0.893 168 L HN 0.193 nan 8.230 nan 0.000 0.432 169 F N -0.106 119.683 119.950 -0.268 0.000 2.325 169 F HA -0.175 4.349 4.527 -0.005 0.000 0.299 169 F C 2.243 178.081 175.800 0.064 0.000 1.090 169 F CA 0.694 58.685 58.000 -0.015 0.000 1.392 169 F CB -0.259 38.748 39.000 0.012 0.000 1.053 169 F HN 0.131 nan 8.300 nan 0.000 0.521 170 D N 0.212 120.748 120.400 0.228 0.000 2.097 170 D HA -0.191 4.445 4.640 -0.005 0.000 0.195 170 D C 2.131 178.572 176.300 0.234 0.000 0.989 170 D CA 1.246 55.431 54.000 0.307 0.000 0.827 170 D CB -0.654 40.334 40.800 0.314 0.000 0.966 170 D HN 0.352 nan 8.370 nan 0.000 0.456 171 Q N 0.313 120.154 119.800 0.069 0.000 2.112 171 Q HA -0.236 4.101 4.340 -0.005 0.000 0.206 171 Q C 2.237 178.246 176.000 0.016 0.000 0.987 171 Q CA 1.444 57.224 55.803 -0.039 0.000 0.858 171 Q CB -0.207 28.485 28.738 -0.076 0.000 0.905 171 Q HN 0.386 nan 8.270 nan 0.000 0.420 172 Q N 0.358 120.274 119.800 0.193 0.000 2.124 172 Q HA -0.173 4.164 4.340 -0.005 0.000 0.202 172 Q C 1.949 178.061 176.000 0.188 0.000 0.977 172 Q CA 0.904 56.861 55.803 0.257 0.000 0.850 172 Q CB 0.035 29.026 28.738 0.423 0.000 0.901 172 Q HN 0.324 nan 8.270 nan 0.000 0.429 173 L N -0.125 121.226 121.223 0.214 0.000 2.313 173 L HA 0.139 4.476 4.340 -0.005 0.000 0.214 173 L C 1.942 178.885 176.870 0.122 0.000 1.119 173 L CA 1.555 56.531 54.840 0.226 0.000 0.809 173 L CB -0.404 41.842 42.059 0.312 0.000 0.933 173 L HN 0.183 nan 8.230 nan 0.000 0.449 174 A N -0.128 122.604 122.820 -0.145 0.000 1.898 174 A HA -0.094 4.223 4.320 -0.005 0.000 0.216 174 A C 2.134 179.683 177.584 -0.059 0.000 1.181 174 A CA 1.708 53.518 52.037 -0.377 0.000 0.620 174 A CB -0.779 17.744 19.000 -0.795 0.000 0.819 174 A HN 0.489 nan 8.150 nan 0.000 0.442 175 L N -0.838 120.356 121.223 -0.048 0.000 2.083 175 L HA -0.255 4.082 4.340 -0.005 0.000 0.209 175 L C 2.739 179.661 176.870 0.087 0.000 1.083 175 L CA 1.522 56.366 54.840 0.006 0.000 0.752 175 L CB -0.903 41.119 42.059 -0.062 0.000 0.899 175 L HN 0.459 nan 8.230 nan 0.000 0.433 176 Q N -0.716 119.154 119.800 0.116 0.000 2.124 176 Q HA -0.250 4.087 4.340 -0.005 0.000 0.202 176 Q C 2.100 178.175 176.000 0.125 0.000 0.977 176 Q CA 1.999 57.875 55.803 0.121 0.000 0.850 176 Q CB -0.240 28.584 28.738 0.145 0.000 0.901 176 Q HN 0.637 nan 8.270 nan 0.000 0.429 177 W N 0.256 121.549 121.300 -0.011 0.000 2.402 177 W HA -0.145 4.512 4.660 -0.006 0.000 0.286 177 W C 1.672 178.177 176.519 -0.024 0.000 1.221 177 W CA 0.894 58.235 57.345 -0.007 0.000 1.257 177 W CB 0.142 29.592 29.460 -0.016 0.000 1.120 177 W HN -0.180 nan 8.180 nan 0.000 0.551 178 V N 0.920 120.974 119.914 0.234 0.000 2.379 178 V HA -0.282 3.835 4.120 -0.005 0.000 0.245 178 V C 2.522 178.579 176.094 -0.061 0.000 1.044 178 V CA 1.737 64.093 62.300 0.094 0.000 1.036 178 V CB -1.006 30.916 31.823 0.164 0.000 0.664 178 V HN 0.120 nan 8.190 nan 0.000 0.453 179 Q N 0.798 120.590 119.800 -0.014 0.000 1.985 179 Q HA -0.260 4.077 4.340 -0.005 0.000 0.207 179 Q C 2.274 178.215 176.000 -0.099 0.000 0.996 179 Q CA 1.974 57.761 55.803 -0.027 0.000 0.851 179 Q CB -0.570 28.177 28.738 0.014 0.000 0.921 179 Q HN 0.594 nan 8.270 nan 0.000 0.418 180 K N 0.057 120.369 120.400 -0.147 0.000 2.160 180 K HA -0.094 4.223 4.320 -0.005 0.000 0.206 180 K C 1.531 177.936 176.600 -0.325 0.000 1.047 180 K CA 1.319 57.476 56.287 -0.217 0.000 0.930 180 K CB 0.043 32.407 32.500 -0.227 0.000 0.720 180 K HN 0.222 nan 8.250 nan 0.000 0.450 181 N N -0.538 117.852 118.700 -0.515 0.000 2.193 181 N HA 0.035 4.771 4.740 -0.005 0.000 0.210 181 N C 1.094 176.448 175.510 -0.260 0.000 1.215 181 N CA 0.102 52.818 53.050 -0.556 0.000 0.901 181 N CB 0.524 38.246 38.487 -1.274 0.000 1.060 181 N HN 0.004 nan 8.380 nan 0.000 0.508 182 I N 2.027 122.475 120.570 -0.203 0.000 2.830 182 I HA -0.009 4.158 4.170 -0.005 0.000 0.263 182 I C 2.067 178.259 176.117 0.126 0.000 1.230 182 I CA 0.482 61.785 61.300 0.004 0.000 1.480 182 I CB -0.062 37.931 38.000 -0.012 0.000 1.095 182 I HN 0.017 nan 8.210 nan 0.000 0.455 183 A N 0.093 122.935 122.820 0.037 0.000 2.014 183 A HA 0.038 4.355 4.320 -0.005 0.000 0.218 183 A C 2.472 180.075 177.584 0.033 0.000 1.163 183 A CA 1.183 53.239 52.037 0.031 0.000 0.652 183 A CB -0.862 18.134 19.000 -0.008 0.000 0.808 183 A HN 0.425 nan 8.150 nan 0.000 0.449 184 A N -0.949 121.877 122.820 0.009 0.000 1.972 184 A HA 0.007 4.324 4.320 -0.005 0.000 0.219 184 A C 1.599 179.048 177.584 -0.224 0.000 1.169 184 A CA 1.312 53.269 52.037 -0.132 0.000 0.635 184 A CB -0.665 18.181 19.000 -0.257 0.000 0.810 184 A HN 0.490 nan 8.150 nan 0.000 0.446 185 F N -1.089 118.813 119.950 -0.079 0.000 2.765 185 F HA 0.372 4.896 4.527 -0.005 0.000 0.302 185 F C 1.755 177.556 175.800 0.002 0.000 1.111 185 F CA 0.554 58.519 58.000 -0.058 0.000 1.359 185 F CB 0.128 39.069 39.000 -0.097 0.000 1.097 185 F HN 0.341 nan 8.300 nan 0.000 0.577 186 G N 0.056 108.951 108.800 0.158 0.000 2.138 186 G HA2 -0.093 3.864 3.960 -0.005 0.000 0.193 186 G HA3 -0.093 3.864 3.960 -0.005 0.000 0.193 186 G C 0.431 175.392 174.900 0.101 0.000 0.998 186 G CA -0.403 44.762 45.100 0.108 0.000 0.668 186 G HN 0.704 nan 8.290 nan 0.000 0.516 187 G N -0.503 108.362 108.800 0.107 0.000 2.412 187 G HA2 0.498 4.455 3.960 -0.005 0.000 0.318 187 G HA3 0.498 4.455 3.960 -0.005 0.000 0.318 187 G C -0.327 174.602 174.900 0.049 0.000 1.146 187 G CA -0.441 44.708 45.100 0.080 0.000 0.882 187 G HN 0.312 nan 8.290 nan 0.000 0.501 188 N N 1.722 120.443 118.700 0.035 0.000 2.469 188 N HA 0.262 4.999 4.740 -0.005 0.000 0.239 188 N C -1.167 174.354 175.510 0.017 0.000 1.053 188 N CA -2.416 50.646 53.050 0.020 0.000 0.937 188 N CB 1.856 40.350 38.487 0.013 0.000 1.163 188 N HN 0.102 nan 8.380 nan 0.000 0.509 189 P HA -0.116 nan 4.420 nan 0.000 0.225 189 P C 0.337 177.646 177.300 0.015 0.000 1.148 189 P CA 1.118 64.226 63.100 0.013 0.000 0.779 189 P CB 0.449 32.148 31.700 -0.001 0.000 0.780 190 K N -0.731 119.673 120.400 0.006 0.000 2.426 190 K HA 0.109 4.426 4.320 -0.005 0.000 0.193 190 K C 0.828 177.422 176.600 -0.009 0.000 1.028 190 K CA 0.269 56.555 56.287 -0.002 0.000 1.047 190 K CB 0.170 32.668 32.500 -0.003 0.000 0.821 190 K HN -0.066 nan 8.250 nan 0.000 0.513 191 S N 1.368 117.064 115.700 -0.006 0.000 2.130 191 S HA 0.253 4.720 4.470 -0.005 0.000 0.165 191 S C -1.003 173.593 174.600 -0.006 0.000 1.677 191 S CA -0.613 57.573 58.200 -0.023 0.000 1.227 191 S CB 0.380 63.555 63.200 -0.041 0.000 1.115 191 S HN -0.134 nan 8.310 nan 0.000 0.452 192 V N 3.823 123.754 119.914 0.027 0.000 2.384 192 V HA 0.519 4.636 4.120 -0.005 0.000 0.287 192 V C 0.166 176.321 176.094 0.101 0.000 1.020 192 V CA -0.475 61.867 62.300 0.070 0.000 0.850 192 V CB 1.791 33.682 31.823 0.112 0.000 0.987 192 V HN 0.661 nan 8.190 nan 0.000 0.436 193 T N 6.501 121.098 114.554 0.073 0.000 2.779 193 T HA 0.602 4.949 4.350 -0.005 0.000 0.280 193 T C -0.202 174.583 174.700 0.143 0.000 0.987 193 T CA -0.351 61.813 62.100 0.106 0.000 0.966 193 T CB 0.962 69.845 68.868 0.025 0.000 0.933 193 T HN 0.344 nan 8.240 nan 0.000 0.442 194 L N 4.545 125.840 121.223 0.120 0.000 2.350 194 L HA 0.681 5.018 4.340 -0.005 0.000 0.275 194 L C -0.380 176.643 176.870 0.255 0.000 1.099 194 L CA -0.801 54.075 54.840 0.060 0.000 0.808 194 L CB 0.379 42.264 42.059 -0.291 0.000 1.149 194 L HN 0.628 nan 8.230 nan 0.000 0.442 195 F N 0.143 120.089 119.950 -0.007 0.000 2.613 195 F HA 0.962 5.486 4.527 -0.005 0.000 0.310 195 F C -0.332 175.362 175.800 -0.176 0.000 1.085 195 F CA -1.535 56.495 58.000 0.051 0.000 0.945 195 F CB 1.598 40.751 39.000 0.256 0.000 1.298 195 F HN 0.496 nan 8.300 nan 0.000 0.455 196 G N 1.020 109.610 108.800 -0.351 0.000 2.547 196 G HA2 0.472 4.429 3.960 -0.005 0.000 0.291 196 G HA3 0.472 4.429 3.960 -0.005 0.000 0.291 196 G C -2.594 171.976 174.900 -0.550 0.000 1.471 196 G CA -0.800 43.687 45.100 -1.021 0.000 0.798 196 G HN 0.875 nan 8.290 nan 0.000 0.504 197 E N 0.438 120.287 120.200 -0.586 0.000 2.238 197 E HA 0.635 4.982 4.350 -0.005 0.000 0.267 197 E C 0.757 177.274 176.600 -0.138 0.000 0.887 197 E CA 0.294 56.603 56.400 -0.152 0.000 0.769 197 E CB 2.183 31.943 29.700 0.101 0.000 1.187 197 E HN 0.897 nan 8.360 nan 0.000 0.416 198 S N 2.899 118.597 115.700 -0.002 0.000 4.138 198 S HA -0.406 4.061 4.470 -0.005 0.000 0.574 198 S C 1.474 176.139 174.600 0.110 0.000 1.895 198 S CA 2.327 60.613 58.200 0.142 0.000 4.239 198 S CB -1.533 61.692 63.200 0.041 0.000 0.264 198 S HN 0.916 nan 8.310 nan 0.000 0.489 199 A N 1.014 123.737 122.820 -0.162 0.000 2.019 199 A HA 0.207 4.524 4.320 -0.005 0.000 0.219 199 A C 2.464 179.800 177.584 -0.413 0.000 1.164 199 A CA 2.232 54.012 52.037 -0.428 0.000 0.644 199 A CB -1.491 16.827 19.000 -1.136 0.000 0.805 199 A HN 1.519 nan 8.150 nan 0.000 0.449 200 G N -0.536 108.060 108.800 -0.340 0.000 2.408 200 G HA2 0.052 4.009 3.960 -0.005 0.000 0.217 200 G HA3 0.052 4.009 3.960 -0.005 0.000 0.217 200 G C 1.699 176.400 174.900 -0.331 0.000 1.150 200 G CA 1.243 46.094 45.100 -0.416 0.000 0.776 200 G HN 0.725 nan 8.290 nan 0.000 0.542 201 A N 1.391 124.068 122.820 -0.239 0.000 1.877 201 A HA 0.245 4.562 4.320 -0.005 0.000 0.216 201 A C 2.852 180.362 177.584 -0.123 0.000 1.186 201 A CA 2.309 54.250 52.037 -0.160 0.000 0.620 201 A CB -0.957 17.992 19.000 -0.086 0.000 0.822 201 A HN 0.799 nan 8.150 nan 0.000 0.443 202 A N -0.494 122.310 122.820 -0.026 0.000 1.892 202 A HA -0.157 4.160 4.320 -0.005 0.000 0.218 202 A C 2.461 180.085 177.584 0.068 0.000 1.188 202 A CA 2.337 54.385 52.037 0.017 0.000 0.631 202 A CB -1.086 18.025 19.000 0.185 0.000 0.822 202 A HN 0.465 nan 8.150 nan 0.000 0.447 203 S N -0.671 115.067 115.700 0.063 0.000 2.365 203 S HA -0.162 4.304 4.470 -0.005 0.000 0.225 203 S C 1.891 176.511 174.600 0.034 0.000 1.039 203 S CA 1.513 59.732 58.200 0.031 0.000 1.033 203 S CB -0.547 62.598 63.200 -0.092 0.000 0.887 203 S HN 0.358 nan 8.310 nan 0.000 0.447 204 V N 2.149 122.045 119.914 -0.031 0.000 2.392 204 V HA -0.180 3.937 4.120 -0.005 0.000 0.249 204 V C 2.680 178.780 176.094 0.010 0.000 1.059 204 V CA 1.971 64.244 62.300 -0.045 0.000 1.051 204 V CB -0.962 30.783 31.823 -0.130 0.000 0.658 204 V HN 0.726 nan 8.190 nan 0.000 0.455 205 S N -0.313 115.364 115.700 -0.039 0.000 2.383 205 S HA -0.080 4.387 4.470 -0.005 0.000 0.227 205 S C 1.891 176.598 174.600 0.178 0.000 1.026 205 S CA 1.295 59.490 58.200 -0.009 0.000 0.981 205 S CB -0.473 62.545 63.200 -0.304 0.000 0.818 205 S HN 0.532 nan 8.310 nan 0.000 0.472 206 L N 0.308 121.607 121.223 0.128 0.000 2.395 206 L HA 0.090 4.427 4.340 -0.005 0.000 0.218 206 L C 2.708 179.611 176.870 0.055 0.000 1.130 206 L CA 0.775 55.660 54.840 0.075 0.000 0.826 206 L CB -0.519 41.614 42.059 0.123 0.000 0.941 206 L HN 0.417 nan 8.230 nan 0.000 0.451 207 H N -0.204 118.936 119.070 0.117 0.000 2.470 207 H HA -0.004 4.549 4.556 -0.006 0.000 0.289 207 H C 2.329 177.801 175.328 0.240 0.000 1.033 207 H CA 0.965 57.068 56.048 0.091 0.000 1.331 207 H CB 0.324 30.032 29.762 -0.089 0.000 1.414 207 H HN 0.312 nan 8.280 nan 0.000 0.545 208 L N 0.537 122.015 121.223 0.425 0.000 2.127 208 L HA -0.173 4.164 4.340 -0.005 0.000 0.211 208 L C 2.175 179.243 176.870 0.330 0.000 1.089 208 L CA 0.852 55.971 54.840 0.465 0.000 0.757 208 L CB -0.176 42.144 42.059 0.435 0.000 0.899 208 L HN 0.215 nan 8.230 nan 0.000 0.434 209 L N -1.844 119.492 121.223 0.189 0.000 2.509 209 L HA 0.042 4.379 4.340 -0.005 0.000 0.222 209 L C 1.170 177.998 176.870 -0.070 0.000 1.123 209 L CA -0.022 54.866 54.840 0.080 0.000 0.856 209 L CB -0.106 41.921 42.059 -0.054 0.000 0.985 209 L HN 0.059 nan 8.230 nan 0.000 0.456 210 S N 0.579 116.169 115.700 -0.183 0.000 2.475 210 S HA 0.275 4.742 4.470 -0.005 0.000 0.281 210 S C -1.354 173.150 174.600 -0.160 0.000 1.198 210 S CA -1.537 56.399 58.200 -0.440 0.000 1.063 210 S CB 1.175 63.649 63.200 -1.209 0.000 0.972 210 S HN -0.058 nan 8.310 nan 0.000 0.486 211 P HA 0.039 nan 4.420 nan 0.000 0.221 211 P C 1.368 178.688 177.300 0.033 0.000 1.150 211 P CA 0.809 63.897 63.100 -0.021 0.000 0.800 211 P CB -0.180 31.486 31.700 -0.057 0.000 0.787 212 G N -0.188 108.618 108.800 0.011 0.000 2.534 212 G HA2 -0.120 3.837 3.960 -0.005 0.000 0.217 212 G HA3 -0.120 3.837 3.960 -0.005 0.000 0.217 212 G C 1.443 176.442 174.900 0.165 0.000 1.128 212 G CA 0.361 45.523 45.100 0.104 0.000 0.784 212 G HN 0.237 nan 8.290 nan 0.000 0.542 213 S N -0.796 115.012 115.700 0.180 0.000 2.548 213 S HA 0.062 4.529 4.470 -0.005 0.000 0.215 213 S C 1.652 176.472 174.600 0.366 0.000 0.976 213 S CA 0.155 58.558 58.200 0.338 0.000 0.908 213 S CB -0.089 63.410 63.200 0.497 0.000 0.781 213 S HN 0.752 nan 8.310 nan 0.000 0.519 214 H N 2.110 121.249 119.070 0.115 0.000 2.421 214 H HA -0.017 4.536 4.556 -0.006 0.000 0.298 214 H C 1.795 177.074 175.328 -0.083 0.000 1.087 214 H CA 1.650 57.693 56.048 -0.009 0.000 1.330 214 H CB 0.087 29.833 29.762 -0.027 0.000 1.388 214 H HN 0.418 nan 8.280 nan 0.000 0.526 215 S N -0.211 115.603 115.700 0.190 0.000 2.572 215 S HA 0.152 4.619 4.470 -0.005 0.000 0.228 215 S C 1.078 175.728 174.600 0.084 0.000 0.963 215 S CA -0.486 57.782 58.200 0.113 0.000 0.939 215 S CB 0.001 63.276 63.200 0.124 0.000 0.804 215 S HN 0.442 nan 8.310 nan 0.000 0.480 216 L N 1.078 122.399 121.223 0.165 0.000 2.640 216 L HA 0.493 4.830 4.340 -0.005 0.000 0.230 216 L C -0.075 176.979 176.870 0.307 0.000 1.123 216 L CA -0.261 54.699 54.840 0.201 0.000 0.900 216 L CB -0.228 41.960 42.059 0.215 0.000 1.146 216 L HN 0.562 nan 8.230 nan 0.000 0.484 217 F N -4.684 115.255 119.950 -0.018 0.000 2.773 217 F HA 0.459 4.983 4.527 -0.005 0.000 0.314 217 F C 0.336 176.112 175.800 -0.040 0.000 1.160 217 F CA -0.915 57.069 58.000 -0.028 0.000 0.920 217 F CB 0.737 39.717 39.000 -0.033 0.000 1.323 217 F HN -0.349 nan 8.300 nan 0.000 0.457 218 T N -0.541 114.019 114.554 0.011 0.000 3.046 218 T HA 0.403 4.749 4.350 -0.005 0.000 0.242 218 T C 0.505 175.159 174.700 -0.076 0.000 1.018 218 T CA 0.423 62.453 62.100 -0.117 0.000 1.131 218 T CB 0.108 68.947 68.868 -0.048 0.000 0.904 218 T HN 0.500 nan 8.240 nan 0.000 0.459 219 R N -0.420 120.166 120.500 0.144 0.000 2.846 219 R HA 0.782 5.118 4.340 -0.005 0.000 0.263 219 R C -1.882 174.654 176.300 0.394 0.000 1.080 219 R CA -0.815 55.395 56.100 0.184 0.000 0.961 219 R CB 2.012 32.270 30.300 -0.071 0.000 1.231 219 R HN 0.233 nan 8.270 nan 0.000 0.465 220 A N 1.443 124.496 122.820 0.388 0.000 2.459 220 A HA 0.605 4.922 4.320 -0.005 0.000 0.296 220 A C -1.059 176.618 177.584 0.155 0.000 1.039 220 A CA -0.636 51.558 52.037 0.262 0.000 0.698 220 A CB 1.073 20.209 19.000 0.226 0.000 1.261 220 A HN 0.525 nan 8.150 nan 0.000 0.405 221 I N 2.228 122.842 120.570 0.074 0.000 2.378 221 I HA 0.392 4.559 4.170 -0.005 0.000 0.291 221 I C -1.229 174.876 176.117 -0.020 0.000 0.992 221 I CA -0.701 60.562 61.300 -0.062 0.000 1.154 221 I CB 1.709 39.678 38.000 -0.053 0.000 1.315 221 I HN 0.420 nan 8.210 nan 0.000 0.448 222 L N 6.564 127.738 121.223 -0.082 0.000 2.337 222 L HA 0.335 4.671 4.340 -0.005 0.000 0.269 222 L C -0.255 176.606 176.870 -0.015 0.000 1.018 222 L CA -0.069 54.714 54.840 -0.094 0.000 0.876 222 L CB 1.121 43.042 42.059 -0.229 0.000 1.236 222 L HN 0.520 nan 8.230 nan 0.000 0.436 223 Q N 1.679 121.533 119.800 0.090 0.000 2.322 223 Q HA 0.373 4.709 4.340 -0.005 0.000 0.256 223 Q C 0.344 176.390 176.000 0.078 0.000 0.960 223 Q CA -0.455 55.454 55.803 0.176 0.000 0.934 223 Q CB 0.990 29.919 28.738 0.318 0.000 1.200 223 Q HN 0.552 nan 8.270 nan 0.000 0.435 224 S N 1.438 117.168 115.700 0.050 0.000 3.477 224 S HA -0.155 4.312 4.470 -0.005 0.000 0.371 224 S C 0.022 174.805 174.600 0.305 0.000 0.965 224 S CA 0.529 58.798 58.200 0.115 0.000 1.239 224 S CB -1.167 62.022 63.200 -0.018 0.000 0.918 224 S HN 0.992 nan 8.310 nan 0.000 0.498 225 G N -0.407 108.525 108.800 0.220 0.000 2.473 225 G HA2 0.596 4.553 3.960 -0.005 0.000 0.298 225 G HA3 0.596 4.553 3.960 -0.005 0.000 0.298 225 G C -1.004 173.843 174.900 -0.087 0.000 1.575 225 G CA 0.119 45.372 45.100 0.254 0.000 0.846 225 G HN 1.311 nan 8.290 nan 0.000 0.585 226 S N -0.440 115.097 115.700 -0.273 0.000 2.578 226 S HA 0.521 4.988 4.470 -0.005 0.000 0.272 226 S C 0.475 174.730 174.600 -0.575 0.000 1.145 226 S CA -0.216 57.657 58.200 -0.545 0.000 0.835 226 S CB 0.845 63.600 63.200 -0.741 0.000 1.104 226 S HN 1.943 nan 8.310 nan 0.000 0.458 227 F N 1.478 121.205 119.950 -0.372 0.000 2.408 227 F HA 0.078 4.602 4.527 -0.006 0.000 0.300 227 F C 1.456 177.076 175.800 -0.300 0.000 1.090 227 F CA 1.045 58.871 58.000 -0.290 0.000 1.427 227 F CB -0.454 38.459 39.000 -0.144 0.000 1.070 227 F HN 0.640 nan 8.300 nan 0.000 0.549 228 N N 1.358 119.418 118.700 -1.067 0.000 2.370 228 N HA 0.149 4.886 4.740 -0.005 0.000 0.198 228 N C 0.327 175.515 175.510 -0.536 0.000 1.156 228 N CA 0.466 53.150 53.050 -0.610 0.000 0.839 228 N CB -0.478 37.675 38.487 -0.558 0.000 0.989 228 N HN 0.373 nan 8.380 nan 0.000 0.468 229 A N 1.848 124.214 122.820 -0.757 0.000 2.386 229 A HA 0.357 4.674 4.320 -0.005 0.000 0.248 229 A C -1.131 175.884 177.584 -0.948 0.000 1.082 229 A CA -1.116 50.327 52.037 -0.989 0.000 0.789 229 A CB 0.423 18.513 19.000 -1.518 0.000 1.025 229 A HN 0.067 nan 8.150 nan 0.000 0.490 230 P HA -0.104 nan 4.420 nan 0.000 0.225 230 P C 0.933 178.010 177.300 -0.371 0.000 1.148 230 P CA 1.168 63.964 63.100 -0.507 0.000 0.779 230 P CB -0.048 31.330 31.700 -0.537 0.000 0.780 231 W N -1.805 119.304 121.300 -0.318 0.000 3.290 231 W HA 0.612 5.269 4.660 -0.005 0.000 0.287 231 W C 0.889 177.343 176.519 -0.109 0.000 1.288 231 W CA 0.268 57.483 57.345 -0.217 0.000 1.725 231 W CB -1.027 28.262 29.460 -0.285 0.000 1.103 231 W HN -0.092 nan 8.180 nan 0.000 0.670 232 A N 1.086 123.644 122.820 -0.436 0.000 2.095 232 A HA 0.342 4.659 4.320 -0.005 0.000 0.212 232 A C 0.638 178.149 177.584 -0.123 0.000 1.162 232 A CA 0.658 52.575 52.037 -0.201 0.000 0.753 232 A CB -0.193 18.477 19.000 -0.550 0.000 0.840 232 A HN -0.002 nan 8.150 nan 0.000 0.468 233 V N 0.463 120.295 119.914 -0.136 0.000 2.656 233 V HA 0.403 4.520 4.120 -0.005 0.000 0.307 233 V C -0.438 175.599 176.094 -0.095 0.000 1.051 233 V CA -0.585 61.639 62.300 -0.128 0.000 0.893 233 V CB 1.910 33.693 31.823 -0.067 0.000 0.999 233 V HN 0.226 nan 8.190 nan 0.000 0.426 234 T N 2.836 117.328 114.554 -0.102 0.000 2.837 234 T HA 0.388 4.735 4.350 -0.005 0.000 0.285 234 T C 0.294 174.976 174.700 -0.030 0.000 0.984 234 T CA -0.378 61.681 62.100 -0.067 0.000 1.049 234 T CB 1.230 70.044 68.868 -0.090 0.000 0.947 234 T HN 0.900 nan 8.240 nan 0.000 0.472 235 S N 2.910 118.611 115.700 0.003 0.000 2.585 235 S HA 0.191 4.658 4.470 -0.005 0.000 0.273 235 S C 1.332 175.957 174.600 0.042 0.000 1.339 235 S CA -0.807 57.415 58.200 0.036 0.000 1.028 235 S CB 0.389 63.635 63.200 0.077 0.000 0.906 235 S HN 0.385 nan 8.310 nan 0.000 0.528 236 L N 1.538 122.791 121.223 0.050 0.000 2.081 236 L HA -0.051 4.286 4.340 -0.005 0.000 0.212 236 L C 2.111 179.011 176.870 0.050 0.000 1.080 236 L CA 1.775 56.641 54.840 0.044 0.000 0.754 236 L CB -1.814 40.275 42.059 0.049 0.000 0.893 236 L HN 0.926 nan 8.230 nan 0.000 0.433 237 Y N 1.146 121.442 120.300 -0.005 0.000 1.979 237 Y HA -0.360 4.187 4.550 -0.005 0.000 0.262 237 Y C 2.519 178.412 175.900 -0.012 0.000 1.142 237 Y CA 2.388 60.485 58.100 -0.006 0.000 1.096 237 Y CB -0.438 38.019 38.460 -0.005 0.000 0.958 237 Y HN 0.321 nan 8.280 nan 0.000 0.484 238 E N 0.191 120.366 120.200 -0.041 0.000 2.160 238 E HA -0.208 4.138 4.350 -0.005 0.000 0.195 238 E C 2.296 178.779 176.600 -0.196 0.000 0.991 238 E CA 0.962 57.260 56.400 -0.170 0.000 0.810 238 E CB -0.399 29.285 29.700 -0.026 0.000 0.742 238 E HN 0.601 nan 8.360 nan 0.000 0.466 239 A N 1.665 124.414 122.820 -0.119 0.000 1.877 239 A HA -0.209 4.107 4.320 -0.005 0.000 0.216 239 A C 2.088 179.624 177.584 -0.079 0.000 1.186 239 A CA 1.372 53.359 52.037 -0.085 0.000 0.620 239 A CB -0.345 18.644 19.000 -0.017 0.000 0.822 239 A HN 0.075 nan 8.150 nan 0.000 0.443 240 R N -0.832 119.605 120.500 -0.105 0.000 2.073 240 R HA -0.155 4.182 4.340 -0.005 0.000 0.234 240 R C 2.129 178.339 176.300 -0.150 0.000 1.134 240 R CA 1.456 57.495 56.100 -0.103 0.000 0.952 240 R CB -0.656 29.587 30.300 -0.095 0.000 0.850 240 R HN 0.582 nan 8.270 nan 0.000 0.433 241 N N 0.819 119.346 118.700 -0.288 0.000 2.133 241 N HA -0.203 4.534 4.740 -0.005 0.000 0.193 241 N C 1.622 177.053 175.510 -0.131 0.000 1.012 241 N CA 1.611 54.502 53.050 -0.266 0.000 0.871 241 N CB 0.034 38.265 38.487 -0.427 0.000 1.011 241 N HN 0.197 nan 8.380 nan 0.000 0.435 242 R N -1.651 118.779 120.500 -0.117 0.000 2.090 242 R HA 0.121 4.458 4.340 -0.005 0.000 0.219 242 R C 1.994 178.351 176.300 0.094 0.000 1.100 242 R CA 1.231 57.289 56.100 -0.071 0.000 0.991 242 R CB -0.410 29.727 30.300 -0.271 0.000 0.893 242 R HN 0.153 nan 8.270 nan 0.000 0.443 243 T N 1.980 116.599 114.554 0.108 0.000 2.699 243 T HA -0.112 4.235 4.350 -0.005 0.000 0.268 243 T C 1.799 176.525 174.700 0.044 0.000 1.036 243 T CA 1.269 63.435 62.100 0.110 0.000 1.147 243 T CB -0.108 68.779 68.868 0.033 0.000 0.862 243 T HN 0.121 nan 8.240 nan 0.000 0.446 244 L N 0.578 121.806 121.223 0.009 0.000 2.162 244 L HA 0.035 4.372 4.340 -0.005 0.000 0.205 244 L C 2.504 179.386 176.870 0.021 0.000 1.086 244 L CA 0.598 55.439 54.840 0.001 0.000 0.778 244 L CB -0.606 41.441 42.059 -0.020 0.000 0.928 244 L HN 0.106 nan 8.230 nan 0.000 0.446 245 N N 0.705 119.421 118.700 0.026 0.000 2.094 245 N HA -0.207 4.529 4.740 -0.005 0.000 0.191 245 N C 1.802 177.368 175.510 0.093 0.000 1.023 245 N CA 1.232 54.313 53.050 0.053 0.000 0.857 245 N CB -0.429 38.087 38.487 0.049 0.000 1.013 245 N HN 0.136 nan 8.380 nan 0.000 0.426 246 L N 0.975 122.276 121.223 0.131 0.000 2.042 246 L HA -0.090 4.247 4.340 -0.005 0.000 0.210 246 L C 2.078 178.999 176.870 0.085 0.000 1.076 246 L CA 1.605 56.533 54.840 0.147 0.000 0.749 246 L CB -1.037 41.132 42.059 0.182 0.000 0.893 246 L HN 0.159 nan 8.230 nan 0.000 0.432 247 A N -0.565 122.285 122.820 0.050 0.000 1.841 247 A HA -0.288 4.029 4.320 -0.005 0.000 0.216 247 A C 2.269 179.873 177.584 0.034 0.000 1.199 247 A CA 2.038 54.091 52.037 0.027 0.000 0.621 247 A CB -0.767 18.237 19.000 0.007 0.000 0.835 247 A HN 0.436 nan 8.150 nan 0.000 0.445 248 K N -0.378 120.041 120.400 0.032 0.000 1.976 248 K HA -0.230 4.086 4.320 -0.005 0.000 0.233 248 K C 1.590 178.214 176.600 0.040 0.000 1.032 248 K CA 2.421 58.727 56.287 0.032 0.000 1.032 248 K CB -0.996 31.522 32.500 0.031 0.000 0.733 248 K HN 0.343 nan 8.250 nan 0.000 0.448 249 L N 0.103 121.360 121.223 0.056 0.000 2.302 249 L HA -0.237 4.100 4.340 -0.005 0.000 0.218 249 L C 1.672 178.579 176.870 0.061 0.000 1.100 249 L CA 1.903 56.782 54.840 0.064 0.000 0.774 249 L CB -0.998 41.127 42.059 0.110 0.000 0.896 249 L HN 0.585 nan 8.230 nan 0.000 0.439 250 T N -3.210 111.380 114.554 0.060 0.000 3.258 250 T HA 0.397 4.744 4.350 -0.005 0.000 0.263 250 T C 1.073 175.797 174.700 0.039 0.000 0.983 250 T CA 0.007 62.140 62.100 0.054 0.000 0.907 250 T CB 0.078 68.984 68.868 0.063 0.000 1.096 250 T HN 0.353 nan 8.240 nan 0.000 0.556 251 G N 0.374 109.193 108.800 0.031 0.000 2.216 251 G HA2 -0.239 3.717 3.960 -0.005 0.000 0.263 251 G HA3 -0.239 3.717 3.960 -0.005 0.000 0.263 251 G C 0.542 175.456 174.900 0.023 0.000 0.837 251 G CA 0.214 45.328 45.100 0.024 0.000 1.227 251 G HN 0.678 nan 8.290 nan 0.000 0.407 252 c N 0.654 119.268 118.600 0.023 0.000 3.642 252 c HA 0.347 4.914 4.570 -0.005 0.000 0.305 252 c C 1.529 175.626 174.090 0.011 0.000 1.492 252 c CA 0.077 56.417 56.329 0.019 0.000 1.809 252 c CB -0.570 41.952 42.510 0.021 0.000 2.639 252 c HN 0.750 nan 8.230 nan 0.000 0.672 253 S N 1.988 117.695 115.700 0.011 0.000 2.558 253 S HA 0.290 4.757 4.470 -0.005 0.000 0.293 253 S C 0.257 174.860 174.600 0.005 0.000 1.292 253 S CA 0.706 58.910 58.200 0.007 0.000 1.063 253 S CB 0.703 63.908 63.200 0.008 0.000 0.831 253 S HN 0.499 nan 8.310 nan 0.000 0.499 254 R N 0.955 121.456 120.500 0.001 0.000 3.145 254 R HA 0.450 4.787 4.340 -0.005 0.000 0.253 254 R C 0.536 176.836 176.300 -0.000 0.000 1.289 254 R CA -0.645 55.456 56.100 0.001 0.000 1.030 254 R CB 0.287 30.586 30.300 -0.001 0.000 1.387 254 R HN 0.603 nan 8.270 nan 0.000 0.466 255 E N -0.955 119.245 120.200 0.000 0.000 2.441 255 E HA 0.156 4.503 4.350 -0.005 0.000 0.207 255 E C -0.288 176.311 176.600 -0.001 0.000 0.803 255 E CA -0.004 56.396 56.400 0.000 0.000 1.240 255 E CB 0.004 29.705 29.700 0.002 0.000 1.233 255 E HN 0.302 nan 8.360 nan 0.000 0.590 256 N N 1.717 120.416 118.700 -0.001 0.000 2.488 256 N HA 0.047 4.784 4.740 -0.005 0.000 0.274 256 N C 0.431 175.937 175.510 -0.007 0.000 1.111 256 N CA 0.159 53.207 53.050 -0.002 0.000 0.974 256 N CB 1.353 39.840 38.487 -0.000 0.000 1.089 256 N HN 0.142 nan 8.380 nan 0.000 0.465 257 E N 1.197 121.391 120.200 -0.010 0.000 2.112 257 E HA -0.060 4.287 4.350 -0.005 0.000 0.190 257 E C 0.976 177.562 176.600 -0.022 0.000 0.979 257 E CA 1.050 57.439 56.400 -0.019 0.000 0.814 257 E CB 0.127 29.815 29.700 -0.021 0.000 0.762 257 E HN 0.606 nan 8.360 nan 0.000 0.460 258 T N 1.718 116.263 114.554 -0.013 0.000 3.025 258 T HA -0.093 4.253 4.350 -0.005 0.000 0.270 258 T C 1.362 176.060 174.700 -0.004 0.000 1.126 258 T CA 0.796 62.890 62.100 -0.009 0.000 1.105 258 T CB -0.049 68.817 68.868 -0.002 0.000 0.884 258 T HN 0.177 nan 8.240 nan 0.000 0.522 259 E N 0.967 121.164 120.200 -0.005 0.000 2.102 259 E HA 0.105 4.452 4.350 -0.005 0.000 0.190 259 E C 2.329 178.927 176.600 -0.004 0.000 0.971 259 E CA 0.440 56.840 56.400 0.000 0.000 0.821 259 E CB -0.114 29.587 29.700 0.001 0.000 0.777 259 E HN 0.473 nan 8.360 nan 0.000 0.460 260 I N 1.652 122.212 120.570 -0.016 0.000 2.208 260 I HA -0.256 3.910 4.170 -0.005 0.000 0.245 260 I C 2.332 178.428 176.117 -0.035 0.000 1.097 260 I CA 1.015 62.300 61.300 -0.025 0.000 1.363 260 I CB -0.471 37.506 38.000 -0.039 0.000 1.051 260 I HN 0.074 nan 8.210 nan 0.000 0.413 261 I N 0.578 121.118 120.570 -0.051 0.000 2.286 261 I HA -0.196 3.971 4.170 -0.005 0.000 0.245 261 I C 2.514 178.653 176.117 0.038 0.000 1.104 261 I CA 1.299 62.562 61.300 -0.063 0.000 1.397 261 I CB -1.369 36.590 38.000 -0.068 0.000 1.072 261 I HN 0.211 nan 8.210 nan 0.000 0.417 262 K N 0.752 121.171 120.400 0.033 0.000 2.063 262 K HA -0.206 4.111 4.320 -0.005 0.000 0.208 262 K C 2.421 179.054 176.600 0.056 0.000 1.048 262 K CA 1.379 57.696 56.287 0.050 0.000 0.928 262 K CB -0.808 31.710 32.500 0.031 0.000 0.713 262 K HN 0.398 nan 8.250 nan 0.000 0.442 263 c N 1.003 119.627 118.600 0.040 0.000 2.388 263 c HA -0.115 4.452 4.570 -0.005 0.000 0.277 263 c C 2.780 176.912 174.090 0.071 0.000 1.210 263 c CA 0.881 57.235 56.329 0.043 0.000 1.743 263 c CB -1.085 41.441 42.510 0.028 0.000 2.047 263 c HN 0.510 nan 8.230 nan 0.000 0.458 264 L N 0.085 121.361 121.223 0.088 0.000 2.187 264 L HA -0.116 4.221 4.340 -0.005 0.000 0.213 264 L C 2.876 179.911 176.870 0.275 0.000 1.100 264 L CA 1.347 56.285 54.840 0.164 0.000 0.765 264 L CB -0.635 41.484 42.059 0.100 0.000 0.904 264 L HN 0.385 nan 8.230 nan 0.000 0.437 265 R N -0.383 120.266 120.500 0.249 0.000 2.323 265 R HA -0.039 4.298 4.340 -0.005 0.000 0.198 265 R C 1.254 177.597 176.300 0.072 0.000 0.988 265 R CA 0.288 56.493 56.100 0.175 0.000 1.041 265 R CB 0.043 30.437 30.300 0.157 0.000 0.926 265 R HN 0.447 nan 8.270 nan 0.000 0.476 266 N N -0.096 118.647 118.700 0.071 0.000 2.414 266 N HA -0.016 4.721 4.740 -0.005 0.000 0.177 266 N C -0.180 175.351 175.510 0.034 0.000 1.062 266 N CA 0.372 53.446 53.050 0.040 0.000 0.890 266 N CB 0.344 38.852 38.487 0.036 0.000 1.070 266 N HN -0.103 nan 8.380 nan 0.000 0.454 267 K N 2.246 122.676 120.400 0.050 0.000 2.518 267 K HA -0.056 4.261 4.320 -0.005 0.000 0.276 267 K C 0.260 176.873 176.600 0.021 0.000 0.974 267 K CA 0.141 56.453 56.287 0.042 0.000 0.986 267 K CB 0.329 32.865 32.500 0.060 0.000 0.901 267 K HN 0.169 nan 8.250 nan 0.000 0.497 268 D N 2.888 123.297 120.400 0.016 0.000 2.414 268 D HA 0.013 4.650 4.640 -0.005 0.000 0.242 268 D C -1.475 174.826 176.300 0.002 0.000 1.129 268 D CA -1.615 52.387 54.000 0.004 0.000 0.885 268 D CB 0.916 41.720 40.800 0.007 0.000 1.198 268 D HN 0.025 nan 8.370 nan 0.000 0.437 269 P HA -0.246 nan 4.420 nan 0.000 0.226 269 P C 1.166 178.467 177.300 0.002 0.000 1.154 269 P CA 1.560 64.647 63.100 -0.022 0.000 0.918 269 P CB 0.221 31.902 31.700 -0.030 0.000 0.790 270 Q N -0.841 118.966 119.800 0.011 0.000 2.224 270 Q HA -0.134 4.203 4.340 -0.005 0.000 0.203 270 Q C 2.090 178.114 176.000 0.040 0.000 0.970 270 Q CA 1.336 57.154 55.803 0.024 0.000 0.865 270 Q CB -0.430 28.322 28.738 0.023 0.000 0.922 270 Q HN 0.503 nan 8.270 nan 0.000 0.445 271 E N -0.303 119.921 120.200 0.040 0.000 2.122 271 E HA -0.035 4.312 4.350 -0.005 0.000 0.190 271 E C 2.039 178.683 176.600 0.073 0.000 0.977 271 E CA 0.231 56.665 56.400 0.058 0.000 0.820 271 E CB 0.068 29.799 29.700 0.051 0.000 0.770 271 E HN 0.258 nan 8.360 nan 0.000 0.462 272 I N 1.212 121.817 120.570 0.060 0.000 2.163 272 I HA -0.313 3.854 4.170 -0.005 0.000 0.243 272 I C 2.275 178.423 176.117 0.053 0.000 1.085 272 I CA 1.166 62.502 61.300 0.060 0.000 1.347 272 I CB -0.169 37.860 38.000 0.047 0.000 1.044 272 I HN 0.099 nan 8.210 nan 0.000 0.408 273 L N -0.353 120.894 121.223 0.040 0.000 2.083 273 L HA -0.235 4.102 4.340 -0.005 0.000 0.209 273 L C 2.517 179.421 176.870 0.056 0.000 1.083 273 L CA 1.180 56.044 54.840 0.040 0.000 0.752 273 L CB -0.515 41.562 42.059 0.030 0.000 0.899 273 L HN 0.274 nan 8.230 nan 0.000 0.433 274 L N -0.255 121.018 121.223 0.082 0.000 2.141 274 L HA -0.157 4.179 4.340 -0.005 0.000 0.209 274 L C 1.721 178.721 176.870 0.217 0.000 1.094 274 L CA 1.607 56.524 54.840 0.128 0.000 0.763 274 L CB -0.222 41.915 42.059 0.130 0.000 0.908 274 L HN 0.287 nan 8.230 nan 0.000 0.437 275 N N -1.383 117.442 118.700 0.207 0.000 2.353 275 N HA -0.054 4.683 4.740 -0.005 0.000 0.185 275 N C 1.325 176.954 175.510 0.199 0.000 1.098 275 N CA 0.027 53.264 53.050 0.313 0.000 0.872 275 N CB 0.225 38.870 38.487 0.263 0.000 0.970 275 N HN 0.291 nan 8.380 nan 0.000 0.467 276 E N 1.047 121.316 120.200 0.115 0.000 2.085 276 E HA -0.212 4.134 4.350 -0.005 0.000 0.194 276 E C 1.955 178.581 176.600 0.043 0.000 0.994 276 E CA 1.177 57.697 56.400 0.199 0.000 0.801 276 E CB -0.052 29.763 29.700 0.192 0.000 0.743 276 E HN 0.436 nan 8.360 nan 0.000 0.453 277 A N 0.423 123.067 122.820 -0.293 0.000 1.972 277 A HA -0.153 4.164 4.320 -0.005 0.000 0.219 277 A C 1.508 178.793 177.584 -0.499 0.000 1.169 277 A CA 1.170 52.900 52.037 -0.511 0.000 0.635 277 A CB -0.507 17.989 19.000 -0.841 0.000 0.810 277 A HN 0.235 nan 8.150 nan 0.000 0.446 278 F N -0.415 119.580 119.950 0.076 0.000 2.693 278 F HA 0.145 4.669 4.527 -0.005 0.000 0.303 278 F C 1.700 177.528 175.800 0.047 0.000 1.097 278 F CA 0.181 58.212 58.000 0.052 0.000 1.330 278 F CB -0.502 38.528 39.000 0.050 0.000 1.067 278 F HN 0.066 nan 8.300 nan 0.000 0.565 279 V N -2.041 117.967 119.914 0.158 0.000 3.440 279 V HA 0.033 4.150 4.120 -0.005 0.000 0.274 279 V C 0.316 176.421 176.094 0.018 0.000 1.207 279 V CA 0.269 62.630 62.300 0.100 0.000 1.183 279 V CB -1.411 30.486 31.823 0.124 0.000 0.837 279 V HN 0.062 nan 8.190 nan 0.000 0.532 280 V N 0.944 120.882 119.914 0.040 0.000 2.817 280 V HA 0.399 4.516 4.120 -0.005 0.000 0.303 280 V C -1.443 174.683 176.094 0.054 0.000 1.151 280 V CA -0.611 61.694 62.300 0.009 0.000 0.929 280 V CB 2.754 34.552 31.823 -0.042 0.000 1.030 280 V HN 0.176 nan 8.190 nan 0.000 0.427 281 P HA 0.068 nan 4.420 nan 0.000 0.209 281 P C 0.511 177.845 177.300 0.057 0.000 1.203 281 P CA 1.466 64.603 63.100 0.061 0.000 0.916 281 P CB 0.053 31.785 31.700 0.053 0.000 0.763 282 Y N 0.064 120.390 120.300 0.044 0.000 2.300 282 Y HA 0.601 5.147 4.550 -0.005 0.000 0.328 282 Y C 1.003 176.911 175.900 0.013 0.000 1.270 282 Y CA -0.751 57.367 58.100 0.031 0.000 1.352 282 Y CB 0.423 38.902 38.460 0.032 0.000 1.286 282 Y HN 0.366 nan 8.280 nan 0.000 0.536 283 G N -0.351 108.444 108.800 -0.009 0.000 2.766 283 G HA2 0.713 4.669 3.960 -0.005 0.000 0.288 283 G HA3 0.713 4.669 3.960 -0.005 0.000 0.288 283 G C -0.340 174.515 174.900 -0.074 0.000 1.408 283 G CA -0.077 45.001 45.100 -0.036 0.000 0.852 283 G HN 1.635 nan 8.290 nan 0.000 0.487 284 T N -3.009 111.484 114.554 -0.102 0.000 2.812 284 T HA 0.633 4.980 4.350 -0.005 0.000 0.294 284 T C -2.417 172.187 174.700 -0.159 0.000 1.159 284 T CA -1.274 60.720 62.100 -0.178 0.000 1.008 284 T CB 1.899 70.632 68.868 -0.225 0.000 1.289 284 T HN 0.144 nan 8.240 nan 0.000 0.514 285 P HA 0.239 nan 4.420 nan 0.000 0.234 285 P C 0.690 177.957 177.300 -0.055 0.000 1.167 285 P CA 0.545 63.602 63.100 -0.071 0.000 0.763 285 P CB -0.048 31.671 31.700 0.031 0.000 0.835 286 L N -1.776 119.365 121.223 -0.137 0.000 2.965 286 L HA 0.195 4.532 4.340 -0.005 0.000 0.254 286 L C 0.483 177.251 176.870 -0.169 0.000 1.220 286 L CA -0.053 54.635 54.840 -0.253 0.000 1.023 286 L CB 0.071 41.897 42.059 -0.388 0.000 1.355 286 L HN -0.264 nan 8.230 nan 0.000 0.545 287 S N 0.115 115.751 115.700 -0.107 0.000 2.552 287 S HA 0.179 4.646 4.470 -0.005 0.000 0.289 287 S C 0.125 174.704 174.600 -0.035 0.000 1.304 287 S CA -0.018 58.144 58.200 -0.064 0.000 1.063 287 S CB 1.039 64.201 63.200 -0.064 0.000 0.848 287 S HN -0.019 nan 8.310 nan 0.000 0.499 288 V N 4.800 124.714 119.914 0.000 0.000 2.327 288 V HA 0.208 4.325 4.120 -0.005 0.000 0.272 288 V C 0.499 176.572 176.094 -0.035 0.000 1.019 288 V CA -0.608 61.718 62.300 0.043 0.000 0.814 288 V CB 0.814 32.734 31.823 0.161 0.000 1.040 288 V HN 0.859 nan 8.190 nan 0.000 0.440 289 N N 3.027 121.685 118.700 -0.069 0.000 2.300 289 N HA 0.125 4.862 4.740 -0.005 0.000 0.179 289 N C -0.279 174.862 175.510 -0.615 0.000 1.016 289 N CA 0.999 53.862 53.050 -0.312 0.000 0.876 289 N CB 0.208 38.523 38.487 -0.286 0.000 0.979 289 N HN 0.523 nan 8.380 nan 0.000 0.432 290 F N 0.246 120.222 119.950 0.042 0.000 2.532 290 F HA 0.500 5.023 4.527 -0.005 0.000 0.365 290 F C 0.635 176.408 175.800 -0.046 0.000 1.112 290 F CA -0.880 57.157 58.000 0.062 0.000 1.082 290 F CB 1.403 40.498 39.000 0.159 0.000 1.319 290 F HN -0.155 nan 8.300 nan 0.000 0.457 291 G N 2.110 110.845 108.800 -0.108 0.000 3.175 291 G HA2 0.663 4.620 3.960 -0.005 0.000 0.255 291 G HA3 0.663 4.620 3.960 -0.005 0.000 0.255 291 G C -3.063 171.541 174.900 -0.493 0.000 1.352 291 G CA -2.147 42.600 45.100 -0.587 0.000 1.037 291 G HN 0.091 nan 8.290 nan 0.000 0.556 292 P HA 0.225 nan 4.420 nan 0.000 0.267 292 P C -0.092 177.111 177.300 -0.162 0.000 1.200 292 P CA 0.334 63.210 63.100 -0.373 0.000 0.772 292 P CB 0.837 32.234 31.700 -0.505 0.000 0.855 293 T N -2.004 112.522 114.554 -0.046 0.000 2.883 293 T HA 0.389 4.736 4.350 -0.005 0.000 0.296 293 T C -0.458 174.247 174.700 0.009 0.000 1.117 293 T CA -0.887 61.203 62.100 -0.017 0.000 1.006 293 T CB 0.559 69.440 68.868 0.022 0.000 1.191 293 T HN -0.022 nan 8.240 nan 0.000 0.508 294 V N 3.248 123.167 119.914 0.008 0.000 2.390 294 V HA 0.163 4.280 4.120 -0.005 0.000 0.260 294 V C 0.766 176.889 176.094 0.049 0.000 1.043 294 V CA -0.000 62.311 62.300 0.019 0.000 1.047 294 V CB -0.459 31.366 31.823 0.003 0.000 1.066 294 V HN 1.041 nan 8.190 nan 0.000 0.481 295 D N 2.912 123.363 120.400 0.084 0.000 2.369 295 D HA 0.140 4.777 4.640 -0.005 0.000 0.211 295 D C 1.516 177.876 176.300 0.101 0.000 1.077 295 D CA 0.540 54.603 54.000 0.106 0.000 0.842 295 D CB 0.512 41.414 40.800 0.170 0.000 0.947 295 D HN 0.705 nan 8.370 nan 0.000 0.509 296 G N 0.741 109.589 108.800 0.080 0.000 2.168 296 G HA2 -0.356 3.601 3.960 -0.005 0.000 0.263 296 G HA3 -0.356 3.601 3.960 -0.005 0.000 0.263 296 G C 0.560 175.519 174.900 0.098 0.000 0.977 296 G CA 0.883 46.023 45.100 0.067 0.000 0.659 296 G HN 0.530 nan 8.290 nan 0.000 0.533 297 D N -1.566 118.936 120.400 0.170 0.000 3.163 297 D HA 0.200 4.837 4.640 -0.005 0.000 0.228 297 D C 1.701 178.192 176.300 0.317 0.000 1.521 297 D CA 0.568 54.724 54.000 0.261 0.000 1.334 297 D CB -0.543 40.450 40.800 0.321 0.000 1.126 297 D HN 0.179 nan 8.370 nan 0.000 0.304 298 F N 1.051 121.121 119.950 0.201 0.000 2.206 298 F HA 0.314 4.838 4.527 -0.005 0.000 0.298 298 F C 0.443 176.179 175.800 -0.107 0.000 1.090 298 F CA 0.800 58.716 58.000 -0.140 0.000 1.323 298 F CB 0.466 39.079 39.000 -0.644 0.000 1.028 298 F HN -0.054 nan 8.300 nan 0.000 0.492 299 L N 1.351 122.628 121.223 0.089 0.000 2.377 299 L HA 0.198 4.535 4.340 -0.005 0.000 0.270 299 L C 0.905 177.770 176.870 -0.009 0.000 0.991 299 L CA -0.169 54.662 54.840 -0.015 0.000 0.851 299 L CB 1.464 43.551 42.059 0.047 0.000 1.218 299 L HN 0.130 nan 8.230 nan 0.000 0.420 300 T N -1.310 113.219 114.554 -0.043 0.000 3.148 300 T HA 0.081 4.428 4.350 -0.005 0.000 0.253 300 T C 0.282 174.966 174.700 -0.026 0.000 1.134 300 T CA 0.221 62.308 62.100 -0.022 0.000 1.051 300 T CB 0.107 68.956 68.868 -0.032 0.000 0.959 300 T HN 0.517 nan 8.240 nan 0.000 0.525 301 D N -0.468 119.908 120.400 -0.041 0.000 2.725 301 D HA 0.265 4.902 4.640 -0.005 0.000 0.292 301 D C -0.973 175.301 176.300 -0.044 0.000 1.288 301 D CA -0.820 53.162 54.000 -0.031 0.000 0.784 301 D CB 1.140 41.922 40.800 -0.032 0.000 1.308 301 D HN 0.147 nan 8.370 nan 0.000 0.429 302 M N 2.189 121.773 119.600 -0.027 0.000 2.261 302 M HA 0.107 4.584 4.480 -0.005 0.000 0.350 302 M C -1.339 174.924 176.300 -0.061 0.000 1.343 302 M CA -0.608 54.673 55.300 -0.031 0.000 1.003 302 M CB 0.426 33.027 32.600 0.002 0.000 1.848 302 M HN 0.219 nan 8.290 nan 0.000 0.456 303 P HA -0.167 nan 4.420 nan 0.000 0.225 303 P C 0.494 177.773 177.300 -0.035 0.000 1.156 303 P CA 1.264 64.160 63.100 -0.339 0.000 0.787 303 P CB -0.168 30.972 31.700 -0.934 0.000 0.802 304 D N 0.653 121.157 120.400 0.173 0.000 2.178 304 D HA -0.160 4.477 4.640 -0.005 0.000 0.201 304 D C 2.022 178.428 176.300 0.176 0.000 0.980 304 D CA 0.947 55.114 54.000 0.278 0.000 0.842 304 D CB -1.054 39.866 40.800 0.200 0.000 0.948 304 D HN 0.259 nan 8.370 nan 0.000 0.472 305 I N 0.285 120.914 120.570 0.098 0.000 2.233 305 I HA -0.173 3.994 4.170 -0.005 0.000 0.243 305 I C 2.676 178.835 176.117 0.070 0.000 1.093 305 I CA 0.490 61.834 61.300 0.073 0.000 1.380 305 I CB -0.202 37.819 38.000 0.036 0.000 1.067 305 I HN -0.077 nan 8.210 nan 0.000 0.413 306 L N 0.079 121.329 121.223 0.044 0.000 2.046 306 L HA -0.233 4.104 4.340 -0.005 0.000 0.208 306 L C 2.583 179.539 176.870 0.145 0.000 1.077 306 L CA 0.950 55.809 54.840 0.031 0.000 0.747 306 L CB -0.570 41.480 42.059 -0.015 0.000 0.896 306 L HN 0.273 nan 8.230 nan 0.000 0.432 307 L N 0.543 121.917 121.223 0.252 0.000 1.955 307 L HA -0.243 4.094 4.340 -0.005 0.000 0.213 307 L C 2.537 179.611 176.870 0.341 0.000 1.072 307 L CA 2.073 57.140 54.840 0.379 0.000 0.755 307 L CB -0.666 41.651 42.059 0.430 0.000 0.888 307 L HN 0.230 nan 8.230 nan 0.000 0.432 308 E N -0.598 119.759 120.200 0.262 0.000 2.171 308 E HA -0.205 4.142 4.350 -0.005 0.000 0.197 308 E C 1.658 178.455 176.600 0.328 0.000 0.997 308 E CA 1.637 58.200 56.400 0.271 0.000 0.810 308 E CB -0.221 29.589 29.700 0.184 0.000 0.738 308 E HN 0.579 nan 8.360 nan 0.000 0.467 309 L N -1.430 119.885 121.223 0.154 0.000 2.857 309 L HA 0.341 4.677 4.340 -0.005 0.000 0.249 309 L C 1.017 177.639 176.870 -0.413 0.000 1.172 309 L CA 0.165 55.042 54.840 0.062 0.000 0.980 309 L CB 0.403 42.466 42.059 0.007 0.000 1.299 309 L HN 0.382 nan 8.230 nan 0.000 0.535 310 G N 0.440 108.791 108.800 -0.748 0.000 2.160 310 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.251 310 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.251 310 G C 0.169 174.044 174.900 -1.709 0.000 1.008 310 G CA -0.142 43.605 45.100 -2.255 0.000 0.724 310 G HN 0.344 nan 8.290 nan 0.000 0.514 311 Q N -0.356 118.943 119.800 -0.835 0.000 2.456 311 Q HA 0.622 4.959 4.340 -0.005 0.000 0.234 311 Q C -0.060 175.793 176.000 -0.245 0.000 1.061 311 Q CA -0.048 55.427 55.803 -0.546 0.000 0.896 311 Q CB 0.158 28.747 28.738 -0.249 0.000 1.233 311 Q HN 0.959 nan 8.270 nan 0.000 0.506 312 F N -1.972 117.887 119.950 -0.151 0.000 2.769 312 F HA 0.331 4.854 4.527 -0.007 0.000 0.313 312 F C -0.561 175.264 175.800 0.041 0.000 1.146 312 F CA -1.494 56.506 58.000 -0.001 0.000 0.934 312 F CB 0.766 39.820 39.000 0.091 0.000 1.283 312 F HN 0.047 nan 8.300 nan 0.000 0.443 313 K N 2.201 122.840 120.400 0.398 0.000 2.504 313 K HA 0.030 4.347 4.320 -0.005 0.000 0.278 313 K C -0.680 176.117 176.600 0.328 0.000 1.025 313 K CA 0.013 56.417 56.287 0.194 0.000 1.093 313 K CB 0.455 32.877 32.500 -0.130 0.000 0.873 313 K HN 0.539 nan 8.250 nan 0.000 0.483 314 K N 3.509 123.994 120.400 0.142 0.000 2.267 314 K HA 0.178 4.495 4.320 -0.005 0.000 0.282 314 K C -0.047 176.645 176.600 0.154 0.000 1.078 314 K CA -0.171 56.209 56.287 0.155 0.000 0.903 314 K CB 1.347 33.872 32.500 0.041 0.000 1.111 314 K HN 0.778 nan 8.250 nan 0.000 0.475 315 T N 1.183 115.913 114.554 0.293 0.000 2.658 315 T HA 0.236 4.583 4.350 -0.005 0.000 0.305 315 T C -1.464 173.453 174.700 0.362 0.000 1.551 315 T CA -0.628 61.599 62.100 0.212 0.000 0.985 315 T CB 0.860 69.783 68.868 0.092 0.000 1.731 315 T HN 0.373 nan 8.240 nan 0.000 0.486 316 Q N 0.900 120.869 119.800 0.282 0.000 2.221 316 Q HA 0.772 5.109 4.340 -0.005 0.000 0.242 316 Q C -0.255 176.034 176.000 0.482 0.000 0.940 316 Q CA -0.460 55.589 55.803 0.411 0.000 0.896 316 Q CB 1.114 30.092 28.738 0.401 0.000 1.226 316 Q HN 0.671 nan 8.270 nan 0.000 0.463 317 I N -1.859 118.943 120.570 0.388 0.000 2.730 317 I HA 0.645 4.812 4.170 -0.005 0.000 0.298 317 I C -1.443 174.624 176.117 -0.083 0.000 1.089 317 I CA -1.286 60.082 61.300 0.113 0.000 1.041 317 I CB 1.818 39.663 38.000 -0.259 0.000 1.235 317 I HN 0.479 nan 8.210 nan 0.000 0.423 318 L N 5.819 126.752 121.223 -0.483 0.000 2.349 318 L HA 0.778 5.115 4.340 -0.005 0.000 0.278 318 L C -1.419 175.246 176.870 -0.343 0.000 0.996 318 L CA -0.655 53.804 54.840 -0.635 0.000 0.825 318 L CB 1.722 42.918 42.059 -1.438 0.000 1.243 318 L HN 0.589 nan 8.230 nan 0.000 0.412 319 V N 3.659 123.433 119.914 -0.232 0.000 2.823 319 V HA 0.940 5.057 4.120 -0.005 0.000 0.312 319 V C 0.236 175.793 176.094 -0.895 0.000 1.072 319 V CA -0.364 61.724 62.300 -0.354 0.000 0.937 319 V CB 1.713 33.442 31.823 -0.157 0.000 1.013 319 V HN 0.896 nan 8.190 nan 0.000 0.430 320 G N 1.350 109.488 108.800 -1.102 0.000 2.684 320 G HA2 0.813 4.770 3.960 -0.005 0.000 0.290 320 G HA3 0.813 4.770 3.960 -0.005 0.000 0.290 320 G C -1.396 172.852 174.900 -1.086 0.000 1.425 320 G CA -0.135 43.605 45.100 -2.267 0.000 0.822 320 G HN 1.340 nan 8.290 nan 0.000 0.482 321 V N -2.178 117.292 119.914 -0.741 0.000 3.114 321 V HA 0.742 4.859 4.120 -0.005 0.000 0.308 321 V C -1.116 175.005 176.094 0.045 0.000 1.168 321 V CA -1.541 60.695 62.300 -0.106 0.000 1.015 321 V CB 1.929 33.840 31.823 0.146 0.000 1.050 321 V HN 0.600 nan 8.190 nan 0.000 0.433 322 N N 1.368 120.120 118.700 0.087 0.000 2.508 322 N HA 0.370 5.106 4.740 -0.005 0.000 0.285 322 N C 0.659 176.150 175.510 -0.032 0.000 1.144 322 N CA -0.345 52.756 53.050 0.085 0.000 0.978 322 N CB 1.769 40.344 38.487 0.146 0.000 1.180 322 N HN 0.967 nan 8.380 nan 0.000 0.484 323 K N 0.368 120.643 120.400 -0.208 0.000 2.057 323 K HA -0.080 4.237 4.320 -0.005 0.000 0.207 323 K C -0.507 176.134 176.600 0.070 0.000 1.049 323 K CA 1.291 57.470 56.287 -0.179 0.000 0.931 323 K CB 0.197 32.559 32.500 -0.230 0.000 0.714 323 K HN 0.499 nan 8.250 nan 0.000 0.440 324 D N 1.404 121.837 120.400 0.055 0.000 3.088 324 D HA 0.023 4.660 4.640 -0.005 0.000 0.310 324 D C 0.280 176.617 176.300 0.062 0.000 1.351 324 D CA -0.058 53.990 54.000 0.081 0.000 0.921 324 D CB 1.011 41.845 40.800 0.057 0.000 1.045 324 D HN 0.231 nan 8.370 nan 0.000 0.504 325 E N 0.604 120.851 120.200 0.079 0.000 2.097 325 E HA -0.167 4.180 4.350 -0.005 0.000 0.196 325 E C 2.012 178.652 176.600 0.066 0.000 1.000 325 E CA 0.998 57.415 56.400 0.029 0.000 0.804 325 E CB -0.024 29.695 29.700 0.032 0.000 0.740 325 E HN 0.393 nan 8.360 nan 0.000 0.454 326 G N 1.201 110.070 108.800 0.115 0.000 2.511 326 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.217 326 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.217 326 G C 1.702 176.671 174.900 0.116 0.000 1.133 326 G CA 1.277 46.458 45.100 0.134 0.000 0.792 326 G HN 0.394 nan 8.290 nan 0.000 0.539 327 T N -0.389 114.193 114.554 0.047 0.000 2.760 327 T HA -0.090 4.257 4.350 -0.005 0.000 0.269 327 T C 2.454 177.078 174.700 -0.127 0.000 1.047 327 T CA 1.804 63.917 62.100 0.023 0.000 1.139 327 T CB -0.396 68.463 68.868 -0.016 0.000 0.855 327 T HN 0.324 nan 8.240 nan 0.000 0.471 328 A N 0.481 123.099 122.820 -0.338 0.000 2.066 328 A HA 0.291 4.608 4.320 -0.005 0.000 0.218 328 A C 1.695 179.004 177.584 -0.459 0.000 1.157 328 A CA 0.679 52.327 52.037 -0.648 0.000 0.670 328 A CB -0.783 17.659 19.000 -0.931 0.000 0.804 328 A HN 0.604 nan 8.150 nan 0.000 0.453 329 F N -0.674 119.254 119.950 -0.037 0.000 2.776 329 F HA 0.254 4.778 4.527 -0.005 0.000 0.300 329 F C 1.596 177.602 175.800 0.344 0.000 1.116 329 F CA -0.014 58.054 58.000 0.113 0.000 1.375 329 F CB -0.320 38.728 39.000 0.079 0.000 1.109 329 F HN 0.059 nan 8.300 nan 0.000 0.585 330 L N 0.001 121.410 121.223 0.310 0.000 2.109 330 L HA -0.085 4.252 4.340 -0.005 0.000 0.207 330 L C 2.340 179.385 176.870 0.292 0.000 1.086 330 L CA 0.838 55.768 54.840 0.150 0.000 0.760 330 L CB -0.715 41.070 42.059 -0.456 0.000 0.910 330 L HN 0.155 nan 8.230 nan 0.000 0.437 331 V N -4.422 115.741 119.914 0.415 0.000 3.444 331 V HA -0.159 3.958 4.120 -0.005 0.000 0.271 331 V C 1.002 177.275 176.094 0.298 0.000 1.188 331 V CA 0.815 63.378 62.300 0.438 0.000 1.168 331 V CB -1.428 30.661 31.823 0.443 0.000 0.810 331 V HN 0.307 nan 8.190 nan 0.000 0.500 332 Y N 1.759 122.218 120.300 0.265 0.000 2.718 332 Y HA 0.674 5.221 4.550 -0.005 0.000 0.322 332 Y C 1.628 177.577 175.900 0.082 0.000 1.122 332 Y CA -0.021 58.182 58.100 0.170 0.000 1.348 332 Y CB 0.454 39.000 38.460 0.142 0.000 1.174 332 Y HN 0.390 nan 8.280 nan 0.000 0.523 333 G N -1.269 107.650 108.800 0.199 0.000 3.578 333 G HA2 0.092 4.049 3.960 -0.005 0.000 0.220 333 G HA3 0.092 4.049 3.960 -0.005 0.000 0.220 333 G C -0.040 174.913 174.900 0.088 0.000 0.933 333 G CA -0.242 44.908 45.100 0.082 0.000 0.847 333 G HN 0.393 nan 8.290 nan 0.000 0.612 334 A N 2.040 124.979 122.820 0.199 0.000 2.289 334 A HA 0.760 5.077 4.320 -0.005 0.000 0.298 334 A C -2.140 175.681 177.584 0.395 0.000 1.208 334 A CA -1.350 50.854 52.037 0.278 0.000 0.845 334 A CB 0.528 19.686 19.000 0.264 0.000 1.125 334 A HN 0.084 nan 8.150 nan 0.000 0.517 335 P HA 0.263 nan 4.420 nan 0.000 0.268 335 P C 0.941 178.371 177.300 0.217 0.000 1.204 335 P CA 1.416 64.640 63.100 0.208 0.000 0.768 335 P CB 1.055 32.838 31.700 0.138 0.000 0.842 336 G N 1.661 110.522 108.800 0.102 0.000 2.234 336 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.235 336 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.235 336 G C -0.207 174.559 174.900 -0.223 0.000 0.997 336 G CA -0.490 44.557 45.100 -0.089 0.000 0.623 336 G HN 0.420 nan 8.290 nan 0.000 0.514 337 F N 1.610 121.599 119.950 0.066 0.000 2.394 337 F HA 0.752 5.276 4.527 -0.005 0.000 0.340 337 F C 0.695 176.601 175.800 0.177 0.000 1.105 337 F CA 0.062 58.117 58.000 0.093 0.000 1.124 337 F CB 2.147 41.264 39.000 0.195 0.000 1.145 337 F HN 0.090 nan 8.300 nan 0.000 0.505 338 S N 1.595 117.518 115.700 0.371 0.000 2.536 338 S HA 0.268 4.735 4.470 -0.005 0.000 0.271 338 S C 0.383 175.275 174.600 0.487 0.000 1.134 338 S CA -0.932 57.481 58.200 0.356 0.000 0.897 338 S CB 1.238 64.550 63.200 0.186 0.000 1.094 338 S HN 0.733 nan 8.310 nan 0.000 0.473 339 K N 1.642 122.222 120.400 0.301 0.000 2.283 339 K HA 0.060 4.376 4.320 -0.005 0.000 0.202 339 K C 0.046 176.697 176.600 0.084 0.000 1.048 339 K CA 1.271 57.652 56.287 0.157 0.000 0.948 339 K CB -0.097 32.320 32.500 -0.138 0.000 0.742 339 K HN 0.430 nan 8.250 nan 0.000 0.458 340 D N 1.049 121.490 120.400 0.067 0.000 2.342 340 D HA 0.037 4.674 4.640 -0.005 0.000 0.221 340 D C -0.358 175.986 176.300 0.074 0.000 1.101 340 D CA 0.162 54.174 54.000 0.020 0.000 0.837 340 D CB 0.053 40.841 40.800 -0.020 0.000 0.938 340 D HN 0.474 nan 8.370 nan 0.000 0.508 341 N N -0.463 118.327 118.700 0.150 0.000 3.277 341 N HA -0.018 4.719 4.740 -0.005 0.000 0.278 341 N C -0.145 175.463 175.510 0.162 0.000 1.544 341 N CA -0.671 52.445 53.050 0.109 0.000 0.869 341 N CB 0.045 38.552 38.487 0.034 0.000 1.584 341 N HN -0.272 nan 8.380 nan 0.000 0.564 342 N N -1.088 117.628 118.700 0.026 0.000 2.322 342 N HA 0.081 4.818 4.740 -0.005 0.000 0.194 342 N C -0.803 174.390 175.510 -0.529 0.000 1.126 342 N CA 0.194 53.177 53.050 -0.111 0.000 0.845 342 N CB -0.360 38.111 38.487 -0.026 0.000 0.976 342 N HN 0.528 nan 8.380 nan 0.000 0.475 343 S N -0.206 115.211 115.700 -0.473 0.000 3.587 343 S HA -0.135 4.332 4.470 -0.005 0.000 0.337 343 S C -0.017 174.153 174.600 -0.716 0.000 1.119 343 S CA 0.071 57.833 58.200 -0.730 0.000 0.976 343 S CB -1.520 60.942 63.200 -1.230 0.000 0.922 343 S HN 0.421 nan 8.310 nan 0.000 0.503 344 I N 2.724 123.044 120.570 -0.416 0.000 2.574 344 I HA 0.100 4.267 4.170 -0.005 0.000 0.291 344 I C 0.933 176.884 176.117 -0.278 0.000 1.131 344 I CA 0.352 61.481 61.300 -0.285 0.000 1.352 344 I CB -1.061 36.838 38.000 -0.167 0.000 1.431 344 I HN 0.398 nan 8.210 nan 0.000 0.543 345 I N 3.807 124.204 120.570 -0.288 0.000 2.783 345 I HA 0.581 4.747 4.170 -0.005 0.000 0.312 345 I C 0.818 176.893 176.117 -0.070 0.000 0.988 345 I CA -0.703 60.469 61.300 -0.214 0.000 1.182 345 I CB 1.445 39.317 38.000 -0.213 0.000 1.368 345 I HN 0.504 nan 8.210 nan 0.000 0.511 346 T N -0.138 114.361 114.554 -0.090 0.000 2.847 346 T HA 0.290 4.637 4.350 -0.005 0.000 0.279 346 T C 1.017 175.457 174.700 -0.434 0.000 0.984 346 T CA -0.467 61.532 62.100 -0.169 0.000 0.988 346 T CB 1.510 70.308 68.868 -0.117 0.000 1.040 346 T HN 0.888 nan 8.240 nan 0.000 0.528 347 R N 0.738 120.698 120.500 -0.900 0.000 2.119 347 R HA -0.226 4.111 4.340 -0.005 0.000 0.246 347 R C 2.163 178.287 176.300 -0.294 0.000 1.146 347 R CA 2.193 57.614 56.100 -1.131 0.000 0.962 347 R CB -0.419 29.475 30.300 -0.676 0.000 0.863 347 R HN 0.708 nan 8.270 nan 0.000 0.442 348 K N 0.500 120.817 120.400 -0.138 0.000 2.155 348 K HA -0.092 4.225 4.320 -0.005 0.000 0.203 348 K C 1.697 178.332 176.600 0.059 0.000 1.052 348 K CA 1.797 58.084 56.287 -0.001 0.000 0.948 348 K CB 0.086 32.587 32.500 0.002 0.000 0.728 348 K HN 0.382 nan 8.250 nan 0.000 0.448 349 E N -0.503 119.722 120.200 0.042 0.000 2.051 349 E HA -0.181 4.166 4.350 -0.005 0.000 0.192 349 E C 1.733 178.468 176.600 0.225 0.000 0.991 349 E CA 1.343 57.807 56.400 0.108 0.000 0.799 349 E CB -0.268 29.464 29.700 0.054 0.000 0.748 349 E HN 0.343 nan 8.360 nan 0.000 0.449 350 F N 2.142 122.139 119.950 0.079 0.000 2.065 350 F HA -0.310 4.213 4.527 -0.006 0.000 0.298 350 F C 2.309 178.222 175.800 0.189 0.000 1.112 350 F CA 1.862 59.982 58.000 0.200 0.000 1.212 350 F CB -0.089 39.046 39.000 0.226 0.000 0.975 350 F HN -0.025 nan 8.300 nan 0.000 0.476 351 Q N -0.237 119.821 119.800 0.430 0.000 2.135 351 Q HA -0.221 4.116 4.340 -0.005 0.000 0.204 351 Q C 2.099 178.193 176.000 0.156 0.000 0.981 351 Q CA 1.668 57.639 55.803 0.280 0.000 0.856 351 Q CB -0.296 28.582 28.738 0.232 0.000 0.902 351 Q HN 0.484 nan 8.270 nan 0.000 0.425 352 E N -0.087 120.199 120.200 0.144 0.000 2.106 352 E HA -0.116 4.231 4.350 -0.005 0.000 0.192 352 E C 2.092 178.765 176.600 0.121 0.000 0.984 352 E CA 1.093 57.565 56.400 0.120 0.000 0.806 352 E CB -0.408 29.360 29.700 0.113 0.000 0.750 352 E HN 0.473 nan 8.360 nan 0.000 0.458 353 G N 1.941 110.822 108.800 0.135 0.000 2.491 353 G HA2 -0.264 3.693 3.960 -0.005 0.000 0.218 353 G HA3 -0.264 3.693 3.960 -0.005 0.000 0.218 353 G C 1.755 176.773 174.900 0.197 0.000 1.180 353 G CA 0.996 46.197 45.100 0.168 0.000 0.774 353 G HN 0.196 nan 8.290 nan 0.000 0.562 354 L N 0.067 121.341 121.223 0.084 0.000 2.043 354 L HA -0.145 4.192 4.340 -0.005 0.000 0.212 354 L C 2.959 180.009 176.870 0.301 0.000 1.075 354 L CA 1.637 56.625 54.840 0.246 0.000 0.752 354 L CB -0.465 41.661 42.059 0.112 0.000 0.891 354 L HN 0.213 nan 8.230 nan 0.000 0.432 355 K N -0.019 120.490 120.400 0.181 0.000 2.044 355 K HA -0.193 4.124 4.320 -0.005 0.000 0.210 355 K C 2.074 178.728 176.600 0.088 0.000 1.049 355 K CA 1.250 57.623 56.287 0.145 0.000 0.927 355 K CB -0.198 32.365 32.500 0.106 0.000 0.713 355 K HN 0.152 nan 8.250 nan 0.000 0.443 356 I N 0.272 120.856 120.570 0.022 0.000 2.179 356 I HA -0.228 3.938 4.170 -0.005 0.000 0.242 356 I C 2.134 178.062 176.117 -0.315 0.000 1.088 356 I CA 1.651 62.850 61.300 -0.168 0.000 1.357 356 I CB -1.051 36.752 38.000 -0.329 0.000 1.051 356 I HN 0.034 nan 8.210 nan 0.000 0.409 357 F N -0.513 119.391 119.950 -0.077 0.000 2.512 357 F HA 0.002 4.526 4.527 -0.005 0.000 0.296 357 F C 1.027 176.496 175.800 -0.552 0.000 1.110 357 F CA 0.559 58.359 58.000 -0.334 0.000 1.446 357 F CB -0.214 38.531 39.000 -0.426 0.000 1.092 357 F HN -0.124 nan 8.300 nan 0.000 0.554 358 F N -0.643 119.392 119.950 0.142 0.000 2.542 358 F HA 0.350 4.874 4.527 -0.005 0.000 0.323 358 F C -1.837 174.026 175.800 0.105 0.000 1.411 358 F CA -2.072 56.008 58.000 0.133 0.000 1.124 358 F CB 0.003 39.094 39.000 0.151 0.000 1.331 358 F HN -0.205 nan 8.300 nan 0.000 0.560 359 P HA -0.150 nan 4.420 nan 0.000 0.215 359 P C 1.152 178.527 177.300 0.125 0.000 1.163 359 P CA 1.702 64.869 63.100 0.112 0.000 0.894 359 P CB 0.293 32.027 31.700 0.057 0.000 0.791 360 G N -2.385 106.499 108.800 0.139 0.000 4.849 360 G HA2 0.391 4.347 3.960 -0.005 0.000 0.247 360 G HA3 0.391 4.347 3.960 -0.005 0.000 0.247 360 G C -0.706 174.259 174.900 0.109 0.000 1.128 360 G CA -0.358 44.811 45.100 0.115 0.000 0.864 360 G HN 0.009 nan 8.290 nan 0.000 0.567 361 V N -0.709 119.282 119.914 0.128 0.000 6.578 361 V HA -0.238 3.878 4.120 -0.005 0.000 0.337 361 V C 1.035 177.199 176.094 0.115 0.000 0.465 361 V CA -0.136 62.258 62.300 0.157 0.000 0.763 361 V CB -2.991 28.994 31.823 0.270 0.000 0.545 361 V HN 1.575 nan 8.190 nan 0.000 0.783 362 S N -0.687 115.058 115.700 0.075 0.000 2.558 362 S HA 0.237 4.704 4.470 -0.005 0.000 0.287 362 S C 1.111 175.776 174.600 0.109 0.000 1.321 362 S CA 0.796 59.048 58.200 0.086 0.000 1.048 362 S CB 1.607 64.858 63.200 0.085 0.000 0.844 362 S HN 0.874 nan 8.310 nan 0.000 0.512 363 E N 1.629 121.900 120.200 0.118 0.000 2.130 363 E HA -0.155 4.192 4.350 -0.005 0.000 0.196 363 E C 1.323 178.012 176.600 0.149 0.000 0.998 363 E CA 1.872 58.348 56.400 0.126 0.000 0.806 363 E CB -0.458 29.315 29.700 0.121 0.000 0.738 363 E HN 0.822 nan 8.360 nan 0.000 0.459 364 F N -0.470 119.515 119.950 0.059 0.000 2.163 364 F HA 0.031 4.554 4.527 -0.006 0.000 0.297 364 F C 2.002 177.871 175.800 0.115 0.000 1.094 364 F CA 1.536 59.580 58.000 0.073 0.000 1.290 364 F CB -0.546 38.485 39.000 0.052 0.000 1.017 364 F HN 0.089 nan 8.300 nan 0.000 0.483 365 G N 1.116 109.896 108.800 -0.034 0.000 2.586 365 G HA2 -0.341 3.616 3.960 -0.005 0.000 0.218 365 G HA3 -0.341 3.616 3.960 -0.005 0.000 0.218 365 G C 1.688 176.598 174.900 0.016 0.000 1.216 365 G CA 1.279 46.324 45.100 -0.091 0.000 0.786 365 G HN 0.365 nan 8.290 nan 0.000 0.583 366 K N 0.490 120.916 120.400 0.043 0.000 2.097 366 K HA -0.079 4.237 4.320 -0.005 0.000 0.206 366 K C 2.443 179.081 176.600 0.063 0.000 1.049 366 K CA 1.357 57.670 56.287 0.045 0.000 0.933 366 K CB -0.175 32.377 32.500 0.087 0.000 0.717 366 K HN 0.460 nan 8.250 nan 0.000 0.442 367 E N 0.715 120.939 120.200 0.040 0.000 2.150 367 E HA -0.141 4.206 4.350 -0.005 0.000 0.193 367 E C 2.174 178.808 176.600 0.056 0.000 0.985 367 E CA 1.411 57.848 56.400 0.062 0.000 0.814 367 E CB -0.012 29.717 29.700 0.047 0.000 0.752 367 E HN 0.322 nan 8.360 nan 0.000 0.466 368 S N 0.822 116.503 115.700 -0.031 0.000 2.387 368 S HA -0.107 4.360 4.470 -0.005 0.000 0.226 368 S C 2.060 176.798 174.600 0.230 0.000 1.026 368 S CA 0.488 58.756 58.200 0.113 0.000 0.972 368 S CB -0.406 62.857 63.200 0.104 0.000 0.814 368 S HN 0.161 nan 8.310 nan 0.000 0.477 369 I N 1.266 121.935 120.570 0.165 0.000 2.127 369 I HA -0.154 4.013 4.170 -0.005 0.000 0.241 369 I C 2.570 178.761 176.117 0.124 0.000 1.075 369 I CA 1.382 62.675 61.300 -0.011 0.000 1.334 369 I CB -0.522 37.446 38.000 -0.053 0.000 1.040 369 I HN 0.307 nan 8.210 nan 0.000 0.405 370 L N 0.563 121.918 121.223 0.220 0.000 2.013 370 L HA -0.279 4.058 4.340 -0.005 0.000 0.212 370 L C 2.435 179.326 176.870 0.035 0.000 1.073 370 L CA 1.882 56.879 54.840 0.262 0.000 0.753 370 L CB -0.682 41.538 42.059 0.268 0.000 0.890 370 L HN 0.170 nan 8.230 nan 0.000 0.432 371 F N -0.223 119.640 119.950 -0.147 0.000 2.095 371 F HA -0.309 4.215 4.527 -0.006 0.000 0.298 371 F C 2.342 177.857 175.800 -0.475 0.000 1.104 371 F CA 2.242 60.053 58.000 -0.315 0.000 1.232 371 F CB -0.324 38.470 39.000 -0.342 0.000 0.987 371 F HN 0.259 nan 8.300 nan 0.000 0.475 372 H N -2.323 116.519 119.070 -0.381 0.000 2.357 372 H HA -0.126 4.427 4.556 -0.005 0.000 0.301 372 H C 1.441 176.379 175.328 -0.650 0.000 1.082 372 H CA 2.296 57.946 56.048 -0.663 0.000 1.342 372 H CB -0.404 28.771 29.762 -0.979 0.000 1.389 372 H HN 0.341 nan 8.280 nan 0.000 0.511 373 Y N -0.103 120.006 120.300 -0.319 0.000 2.490 373 Y HA 0.026 4.573 4.550 -0.005 0.000 0.281 373 Y C 1.344 176.978 175.900 -0.444 0.000 1.174 373 Y CA 0.838 58.815 58.100 -0.206 0.000 1.295 373 Y CB 0.621 39.130 38.460 0.082 0.000 1.062 373 Y HN 0.217 nan 8.280 nan 0.000 0.522 374 T N -4.071 110.090 114.554 -0.656 0.000 3.252 374 T HA 0.134 4.481 4.350 -0.005 0.000 0.286 374 T C -0.454 173.215 174.700 -1.718 0.000 1.013 374 T CA -0.476 60.755 62.100 -1.447 0.000 0.914 374 T CB -0.303 67.869 68.868 -1.160 0.000 1.131 374 T HN 0.099 nan 8.240 nan 0.000 0.529 375 D N 1.464 121.186 120.400 -1.131 0.000 2.412 375 D HA 0.469 5.105 4.640 -0.005 0.000 0.224 375 D C -0.366 175.562 176.300 -0.619 0.000 1.093 375 D CA -0.663 52.779 54.000 -0.930 0.000 0.850 375 D CB 0.450 40.816 40.800 -0.725 0.000 1.046 375 D HN 0.482 nan 8.370 nan 0.000 0.507 376 W N 2.491 123.663 121.300 -0.213 0.000 3.164 376 W HA 0.629 5.286 4.660 -0.005 0.000 0.325 376 W C -0.887 175.556 176.519 -0.126 0.000 1.228 376 W CA -1.516 55.728 57.345 -0.167 0.000 1.024 376 W CB 0.178 29.534 29.460 -0.173 0.000 1.534 376 W HN 0.225 nan 8.180 nan 0.000 0.614 377 V N -0.470 119.582 119.914 0.230 0.000 2.465 377 V HA 0.534 4.651 4.120 -0.005 0.000 0.263 377 V C -1.641 174.476 176.094 0.037 0.000 0.981 377 V CA -0.208 62.145 62.300 0.089 0.000 0.838 377 V CB 0.185 32.037 31.823 0.048 0.000 1.068 377 V HN 0.648 nan 8.190 nan 0.000 0.458 378 D N 2.271 122.665 120.400 -0.010 0.000 2.566 378 D HA 0.420 5.057 4.640 -0.005 0.000 0.254 378 D C 0.782 177.024 176.300 -0.096 0.000 1.090 378 D CA 0.047 54.060 54.000 0.022 0.000 1.034 378 D CB 2.236 43.053 40.800 0.029 0.000 1.434 378 D HN 0.566 nan 8.370 nan 0.000 0.509 379 D N 0.474 120.892 120.400 0.030 0.000 2.421 379 D HA -0.225 4.412 4.640 -0.005 0.000 0.223 379 D C 0.920 177.129 176.300 -0.150 0.000 0.979 379 D CA 1.105 55.087 54.000 -0.030 0.000 0.959 379 D CB 0.171 41.055 40.800 0.139 0.000 0.874 379 D HN 0.306 nan 8.370 nan 0.000 0.513 380 Q N 0.381 120.086 119.800 -0.160 0.000 2.008 380 Q HA 0.017 4.353 4.340 -0.005 0.000 0.196 380 Q C 0.786 176.687 176.000 -0.165 0.000 0.973 380 Q CA 0.510 56.236 55.803 -0.127 0.000 0.826 380 Q CB -0.147 28.535 28.738 -0.093 0.000 0.894 380 Q HN 0.398 nan 8.270 nan 0.000 0.439 381 R N 2.787 123.154 120.500 -0.221 0.000 2.486 381 R HA -0.043 4.293 4.340 -0.005 0.000 0.303 381 R C -1.470 174.692 176.300 -0.229 0.000 0.958 381 R CA -0.595 55.377 56.100 -0.212 0.000 1.077 381 R CB 0.003 30.156 30.300 -0.246 0.000 0.921 381 R HN 0.192 nan 8.270 nan 0.000 0.406 382 P HA -0.165 nan 4.420 nan 0.000 0.223 382 P C 0.387 177.613 177.300 -0.122 0.000 1.151 382 P CA 1.212 64.243 63.100 -0.115 0.000 0.787 382 P CB 0.266 31.920 31.700 -0.077 0.000 0.788 383 E N -0.867 119.250 120.200 -0.138 0.000 2.368 383 E HA 0.032 4.378 4.350 -0.005 0.000 0.188 383 E C 0.870 177.387 176.600 -0.138 0.000 1.061 383 E CA -0.152 56.184 56.400 -0.107 0.000 0.933 383 E CB -0.841 28.819 29.700 -0.067 0.000 1.091 383 E HN 0.041 nan 8.360 nan 0.000 0.458 384 N N 1.065 119.570 118.700 -0.325 0.000 2.039 384 N HA -0.149 4.588 4.740 -0.005 0.000 0.193 384 N C 1.187 176.442 175.510 -0.425 0.000 1.044 384 N CA 1.283 53.913 53.050 -0.701 0.000 0.847 384 N CB -0.527 37.008 38.487 -1.587 0.000 1.030 384 N HN 0.259 nan 8.380 nan 0.000 0.422 385 Y N 1.100 121.313 120.300 -0.144 0.000 2.274 385 Y HA -0.008 4.539 4.550 -0.005 0.000 0.290 385 Y C 2.561 178.666 175.900 0.342 0.000 1.145 385 Y CA 0.933 59.130 58.100 0.160 0.000 1.203 385 Y CB -0.167 38.388 38.460 0.158 0.000 0.984 385 Y HN 0.054 nan 8.280 nan 0.000 0.533 386 R N 0.740 121.427 120.500 0.312 0.000 2.081 386 R HA -0.159 4.178 4.340 -0.005 0.000 0.235 386 R C 1.837 178.360 176.300 0.370 0.000 1.131 386 R CA 1.794 58.075 56.100 0.301 0.000 0.960 386 R CB -0.066 30.218 30.300 -0.027 0.000 0.856 386 R HN 0.404 nan 8.270 nan 0.000 0.436 387 E N 0.031 120.387 120.200 0.259 0.000 2.107 387 E HA -0.138 4.209 4.350 -0.005 0.000 0.191 387 E C 1.937 178.736 176.600 0.333 0.000 0.982 387 E CA 1.009 57.569 56.400 0.267 0.000 0.809 387 E CB -0.095 29.717 29.700 0.186 0.000 0.756 387 E HN 0.422 nan 8.360 nan 0.000 0.459 388 A N 1.669 124.740 122.820 0.417 0.000 1.902 388 A HA -0.142 4.175 4.320 -0.005 0.000 0.217 388 A C 2.217 180.109 177.584 0.513 0.000 1.181 388 A CA 0.961 53.324 52.037 0.542 0.000 0.623 388 A CB -0.492 18.875 19.000 0.612 0.000 0.818 388 A HN 0.190 nan 8.150 nan 0.000 0.443 389 L N -0.066 121.500 121.223 0.572 0.000 2.141 389 L HA 0.045 4.382 4.340 -0.005 0.000 0.209 389 L C 2.370 179.230 176.870 -0.017 0.000 1.094 389 L CA 1.893 56.844 54.840 0.186 0.000 0.763 389 L CB -0.821 41.303 42.059 0.108 0.000 0.908 389 L HN 0.312 nan 8.230 nan 0.000 0.437 390 G N -1.146 107.719 108.800 0.108 0.000 2.404 390 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.215 390 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.215 390 G C 1.262 176.189 174.900 0.045 0.000 1.174 390 G CA 0.771 45.905 45.100 0.057 0.000 0.780 390 G HN 0.386 nan 8.290 nan 0.000 0.537 391 D N 0.517 120.996 120.400 0.131 0.000 2.116 391 D HA -0.136 4.501 4.640 -0.005 0.000 0.193 391 D C 2.777 179.051 176.300 -0.043 0.000 0.998 391 D CA 1.111 55.205 54.000 0.157 0.000 0.836 391 D CB -0.658 40.363 40.800 0.369 0.000 0.951 391 D HN 0.182 nan 8.370 nan 0.000 0.449 392 V N 0.888 120.600 119.914 -0.337 0.000 2.278 392 V HA -0.253 3.864 4.120 -0.005 0.000 0.251 392 V C 2.648 178.572 176.094 -0.284 0.000 1.062 392 V CA 1.389 63.447 62.300 -0.403 0.000 1.038 392 V CB -0.510 31.127 31.823 -0.311 0.000 0.646 392 V HN 0.075 nan 8.190 nan 0.000 0.447 393 V N 0.238 119.988 119.914 -0.272 0.000 2.446 393 V HA -0.017 4.100 4.120 -0.005 0.000 0.244 393 V C 2.590 178.584 176.094 -0.166 0.000 1.039 393 V CA 1.764 63.865 62.300 -0.332 0.000 1.045 393 V CB -1.120 30.341 31.823 -0.603 0.000 0.681 393 V HN 0.587 nan 8.190 nan 0.000 0.459 394 G N 0.143 108.926 108.800 -0.028 0.000 2.459 394 G HA2 -0.262 3.694 3.960 -0.005 0.000 0.217 394 G HA3 -0.262 3.694 3.960 -0.005 0.000 0.217 394 G C 1.229 176.166 174.900 0.062 0.000 1.183 394 G CA 1.218 46.396 45.100 0.130 0.000 0.776 394 G HN 0.502 nan 8.290 nan 0.000 0.552 395 D N -0.758 119.628 120.400 -0.024 0.000 2.123 395 D HA -0.078 4.559 4.640 -0.005 0.000 0.200 395 D C 1.997 178.064 176.300 -0.389 0.000 0.976 395 D CA 0.734 54.707 54.000 -0.045 0.000 0.831 395 D CB -0.354 40.561 40.800 0.193 0.000 0.974 395 D HN 0.368 nan 8.370 nan 0.000 0.469 396 Y N 1.846 121.551 120.300 -0.992 0.000 2.163 396 Y HA -0.105 4.442 4.550 -0.005 0.000 0.288 396 Y C 1.796 177.324 175.900 -0.621 0.000 1.136 396 Y CA 1.421 58.764 58.100 -1.262 0.000 1.147 396 Y CB -0.225 37.268 38.460 -1.611 0.000 0.987 396 Y HN -0.127 nan 8.280 nan 0.000 0.509 397 N N -1.296 116.999 118.700 -0.676 0.000 2.368 397 N HA -0.023 4.714 4.740 -0.005 0.000 0.176 397 N C 1.030 176.006 175.510 -0.891 0.000 1.021 397 N CA 1.334 53.845 53.050 -0.899 0.000 0.888 397 N CB 0.003 37.947 38.487 -0.905 0.000 0.995 397 N HN 0.397 nan 8.380 nan 0.000 0.437 398 F N -0.330 119.553 119.950 -0.111 0.000 2.421 398 F HA 0.351 4.874 4.527 -0.006 0.000 0.270 398 F C 2.020 177.824 175.800 0.006 0.000 0.894 398 F CA -0.341 57.662 58.000 0.005 0.000 1.128 398 F CB 0.089 39.127 39.000 0.063 0.000 1.011 398 F HN -0.195 nan 8.300 nan 0.000 0.788 399 I N -0.115 120.581 120.570 0.210 0.000 2.193 399 I HA -0.242 3.925 4.170 -0.005 0.000 0.240 399 I C 2.061 178.252 176.117 0.123 0.000 1.084 399 I CA 1.172 62.595 61.300 0.206 0.000 1.365 399 I CB -0.577 37.561 38.000 0.230 0.000 1.064 399 I HN 0.270 nan 8.210 nan 0.000 0.410 400 c N 1.084 119.727 118.600 0.072 0.000 2.446 400 c HA -0.034 4.533 4.570 -0.005 0.000 0.277 400 c C 0.242 174.346 174.090 0.023 0.000 1.275 400 c CA 0.685 57.063 56.329 0.081 0.000 1.727 400 c CB -2.011 40.610 42.510 0.185 0.000 2.010 400 c HN 0.362 nan 8.230 nan 0.000 0.486 401 P HA -0.022 nan 4.420 nan 0.000 0.221 401 P C 1.503 178.773 177.300 -0.049 0.000 1.150 401 P CA 2.057 65.088 63.100 -0.113 0.000 0.800 401 P CB -0.128 31.403 31.700 -0.281 0.000 0.787 402 A N -0.628 122.209 122.820 0.029 0.000 1.897 402 A HA -0.101 4.216 4.320 -0.005 0.000 0.215 402 A C 2.152 179.839 177.584 0.172 0.000 1.181 402 A CA 1.127 53.236 52.037 0.119 0.000 0.620 402 A CB -1.555 17.569 19.000 0.206 0.000 0.821 402 A HN 0.098 nan 8.150 nan 0.000 0.443 403 L N -0.847 120.402 121.223 0.042 0.000 2.083 403 L HA -0.192 4.145 4.340 -0.005 0.000 0.209 403 L C 2.630 179.452 176.870 -0.080 0.000 1.083 403 L CA 1.822 56.532 54.840 -0.216 0.000 0.752 403 L CB -0.306 41.612 42.059 -0.236 0.000 0.899 403 L HN 0.537 nan 8.230 nan 0.000 0.433 404 E N -0.026 120.177 120.200 0.006 0.000 2.107 404 E HA -0.236 4.111 4.350 -0.005 0.000 0.191 404 E C 1.984 178.599 176.600 0.026 0.000 0.982 404 E CA 0.886 57.305 56.400 0.031 0.000 0.809 404 E CB -0.213 29.506 29.700 0.032 0.000 0.756 404 E HN 0.320 nan 8.360 nan 0.000 0.459 405 F N 0.910 120.792 119.950 -0.114 0.000 2.069 405 F HA -0.236 4.289 4.527 -0.003 0.000 0.298 405 F C 2.106 177.881 175.800 -0.040 0.000 1.113 405 F CA 2.233 60.155 58.000 -0.129 0.000 1.214 405 F CB -0.725 38.132 39.000 -0.239 0.000 0.978 405 F HN 0.013 nan 8.300 nan 0.000 0.474 406 T N 0.765 115.330 114.554 0.018 0.000 2.821 406 T HA -0.160 4.186 4.350 -0.005 0.000 0.267 406 T C 1.870 176.542 174.700 -0.048 0.000 1.046 406 T CA 1.611 63.648 62.100 -0.105 0.000 1.139 406 T CB -0.223 68.434 68.868 -0.350 0.000 0.871 406 T HN 0.279 nan 8.240 nan 0.000 0.454 407 K N 1.021 121.448 120.400 0.044 0.000 2.002 407 K HA -0.043 4.274 4.320 -0.005 0.000 0.209 407 K C 2.468 179.150 176.600 0.137 0.000 1.048 407 K CA 0.870 57.305 56.287 0.245 0.000 0.930 407 K CB -0.087 32.547 32.500 0.224 0.000 0.714 407 K HN 0.114 nan 8.250 nan 0.000 0.438 408 K N 0.795 121.230 120.400 0.059 0.000 2.044 408 K HA -0.173 4.144 4.320 -0.005 0.000 0.210 408 K C 2.060 178.743 176.600 0.137 0.000 1.049 408 K CA 1.381 57.725 56.287 0.096 0.000 0.927 408 K CB -0.613 31.932 32.500 0.076 0.000 0.713 408 K HN 0.154 nan 8.250 nan 0.000 0.443 409 F N 2.500 122.297 119.950 -0.256 0.000 2.102 409 F HA -0.251 4.273 4.527 -0.005 0.000 0.298 409 F C 2.498 178.350 175.800 0.087 0.000 1.105 409 F CA 2.006 59.822 58.000 -0.306 0.000 1.239 409 F CB -0.266 38.237 39.000 -0.828 0.000 0.991 409 F HN 0.108 nan 8.300 nan 0.000 0.474 410 S N -0.828 115.026 115.700 0.256 0.000 2.474 410 S HA -0.196 4.271 4.470 -0.005 0.000 0.235 410 S C 1.650 176.326 174.600 0.127 0.000 0.997 410 S CA 1.225 59.565 58.200 0.234 0.000 0.949 410 S CB -0.674 62.704 63.200 0.296 0.000 0.766 410 S HN 0.590 nan 8.310 nan 0.000 0.517 411 E N -0.382 119.882 120.200 0.107 0.000 2.478 411 E HA 0.008 4.354 4.350 -0.005 0.000 0.198 411 E C 0.116 176.593 176.600 -0.204 0.000 1.046 411 E CA 0.512 56.875 56.400 -0.060 0.000 0.870 411 E CB -0.037 29.592 29.700 -0.118 0.000 0.818 411 E HN 0.779 nan 8.360 nan 0.000 0.527 412 W N -0.645 120.642 121.300 -0.022 0.000 3.067 412 W HA 0.310 4.971 4.660 0.001 0.000 0.417 412 W C 1.122 177.596 176.519 -0.074 0.000 1.029 412 W CA 0.399 57.705 57.345 -0.065 0.000 1.992 412 W CB 1.110 30.501 29.460 -0.116 0.000 1.122 412 W HN 0.121 nan 8.180 nan 0.000 0.681 413 G N -0.037 108.817 108.800 0.091 0.000 2.428 413 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.199 413 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.199 413 G C 0.044 174.995 174.900 0.086 0.000 1.005 413 G CA -0.608 44.537 45.100 0.075 0.000 0.671 413 G HN 0.205 nan 8.290 nan 0.000 0.485 414 N N 1.100 119.866 118.700 0.110 0.000 2.466 414 N HA 0.559 5.296 4.740 -0.005 0.000 0.294 414 N C -0.479 175.136 175.510 0.175 0.000 1.129 414 N CA -0.747 52.402 53.050 0.164 0.000 0.931 414 N CB 0.559 39.202 38.487 0.261 0.000 1.193 414 N HN 0.126 nan 8.380 nan 0.000 0.500 415 N N 0.608 119.394 118.700 0.144 0.000 2.454 415 N HA 0.311 5.048 4.740 -0.005 0.000 0.260 415 N C -1.016 174.508 175.510 0.022 0.000 1.218 415 N CA 0.132 53.197 53.050 0.025 0.000 0.904 415 N CB 0.404 38.942 38.487 0.086 0.000 1.065 415 N HN 0.606 nan 8.380 nan 0.000 0.462 416 A N 2.183 124.874 122.820 -0.214 0.000 2.435 416 A HA 0.781 5.098 4.320 -0.005 0.000 0.304 416 A C -1.321 175.949 177.584 -0.523 0.000 1.064 416 A CA -0.608 51.346 52.037 -0.137 0.000 0.727 416 A CB 0.818 19.873 19.000 0.093 0.000 1.284 416 A HN 0.478 nan 8.150 nan 0.000 0.415 417 F N 0.449 120.371 119.950 -0.046 0.000 2.520 417 F HA 0.656 5.181 4.527 -0.004 0.000 0.322 417 F C -0.585 175.336 175.800 0.202 0.000 1.103 417 F CA -0.511 57.432 58.000 -0.096 0.000 0.926 417 F CB 2.018 40.469 39.000 -0.915 0.000 1.154 417 F HN 0.532 nan 8.300 nan 0.000 0.453 418 F N 3.978 124.327 119.950 0.666 0.000 2.520 418 F HA 0.597 5.121 4.527 -0.005 0.000 0.322 418 F C -1.004 175.321 175.800 0.875 0.000 1.103 418 F CA -1.117 57.198 58.000 0.526 0.000 0.926 418 F CB 1.147 40.284 39.000 0.228 0.000 1.154 418 F HN 0.450 nan 8.300 nan 0.000 0.453 419 Y N 3.530 124.018 120.300 0.312 0.000 2.602 419 Y HA 0.664 5.211 4.550 -0.006 0.000 0.342 419 Y C -2.152 173.967 175.900 0.365 0.000 1.029 419 Y CA -1.826 56.496 58.100 0.370 0.000 1.080 419 Y CB 1.122 39.731 38.460 0.248 0.000 1.284 419 Y HN 0.544 nan 8.280 nan 0.000 0.485 420 Y N 3.582 124.189 120.300 0.511 0.000 2.488 420 Y HA 0.401 4.949 4.550 -0.005 0.000 0.330 420 Y C -1.860 174.325 175.900 0.475 0.000 1.013 420 Y CA -2.487 55.857 58.100 0.406 0.000 1.304 420 Y CB 0.533 39.278 38.460 0.476 0.000 1.098 420 Y HN 0.739 nan 8.280 nan 0.000 0.498 421 F N 6.566 126.575 119.950 0.098 0.000 2.445 421 F HA 0.282 4.806 4.527 -0.006 0.000 0.359 421 F C 0.703 176.373 175.800 -0.217 0.000 1.101 421 F CA 0.128 58.152 58.000 0.039 0.000 1.177 421 F CB 0.703 39.798 39.000 0.158 0.000 1.110 421 F HN 0.656 nan 8.300 nan 0.000 0.522 422 E N 3.466 123.322 120.200 -0.572 0.000 2.968 422 E HA 0.062 4.409 4.350 -0.005 0.000 0.202 422 E C -0.883 175.445 176.600 -0.453 0.000 0.979 422 E CA -0.477 55.663 56.400 -0.432 0.000 1.192 422 E CB -0.271 29.303 29.700 -0.210 0.000 1.059 422 E HN 0.670 nan 8.360 nan 0.000 0.470 423 H N 1.746 120.242 119.070 -0.956 0.000 2.604 423 H HA 0.280 4.833 4.556 -0.005 0.000 0.306 423 H C -0.435 174.656 175.328 -0.395 0.000 1.075 423 H CA -0.525 55.114 56.048 -0.681 0.000 1.357 423 H CB 0.896 30.156 29.762 -0.835 0.000 1.426 423 H HN 0.030 nan 8.280 nan 0.000 0.470 424 R N 4.376 124.434 120.500 -0.737 0.000 2.288 424 R HA 0.087 4.424 4.340 -0.005 0.000 0.330 424 R C -0.274 175.678 176.300 -0.579 0.000 1.069 424 R CA -0.129 55.670 56.100 -0.502 0.000 0.941 424 R CB 0.149 30.270 30.300 -0.299 0.000 0.998 424 R HN 0.679 nan 8.270 nan 0.000 0.452 425 S N 2.603 118.268 115.700 -0.060 0.000 2.702 425 S HA -0.099 4.368 4.470 -0.005 0.000 0.314 425 S C 1.483 176.188 174.600 0.175 0.000 1.244 425 S CA 0.404 58.802 58.200 0.330 0.000 1.058 425 S CB 0.399 63.874 63.200 0.458 0.000 0.783 425 S HN 0.827 nan 8.310 nan 0.000 0.503 426 S N 4.663 120.524 115.700 0.269 0.000 2.400 426 S HA -0.117 4.350 4.470 -0.005 0.000 0.232 426 S C 1.055 175.689 174.600 0.057 0.000 1.025 426 S CA 0.991 59.273 58.200 0.137 0.000 0.993 426 S CB -0.318 62.982 63.200 0.166 0.000 0.808 426 S HN 0.845 nan 8.310 nan 0.000 0.478 427 K N 1.083 121.513 120.400 0.050 0.000 2.520 427 K HA 0.302 4.619 4.320 -0.005 0.000 0.205 427 K C -0.131 176.469 176.600 -0.000 0.000 1.035 427 K CA -0.309 55.951 56.287 -0.044 0.000 1.188 427 K CB -0.047 32.331 32.500 -0.204 0.000 0.894 427 K HN 0.311 nan 8.250 nan 0.000 0.497 428 L N 3.201 124.432 121.223 0.012 0.000 2.410 428 L HA 0.081 4.418 4.340 -0.005 0.000 0.273 428 L C -1.416 175.422 176.870 -0.054 0.000 1.152 428 L CA -0.975 53.842 54.840 -0.039 0.000 0.855 428 L CB 0.897 42.901 42.059 -0.091 0.000 1.129 428 L HN 0.042 nan 8.230 nan 0.000 0.463 429 P HA -0.004 nan 4.420 nan 0.000 0.240 429 P C -0.345 176.909 177.300 -0.077 0.000 1.190 429 P CA 0.374 63.384 63.100 -0.150 0.000 0.781 429 P CB 0.200 31.650 31.700 -0.417 0.000 0.931 430 W N 2.523 123.780 121.300 -0.071 0.000 2.183 430 W HA 0.331 4.988 4.660 -0.005 0.000 0.348 430 W C -1.695 174.714 176.519 -0.184 0.000 1.257 430 W CA -1.975 55.327 57.345 -0.072 0.000 1.324 430 W CB -0.885 28.449 29.460 -0.210 0.000 1.144 430 W HN -0.167 nan 8.180 nan 0.000 0.622 431 P HA -0.010 nan 4.420 nan 0.000 0.272 431 P C 0.562 177.754 177.300 -0.179 0.000 1.230 431 P CA 0.093 63.131 63.100 -0.103 0.000 0.788 431 P CB 0.967 32.584 31.700 -0.137 0.000 0.949 432 E N 1.389 121.561 120.200 -0.047 0.000 2.065 432 E HA -0.195 4.152 4.350 -0.005 0.000 0.201 432 E C 1.887 178.515 176.600 0.048 0.000 1.016 432 E CA 1.800 58.201 56.400 0.002 0.000 0.818 432 E CB -0.546 29.195 29.700 0.068 0.000 0.749 432 E HN 0.726 nan 8.360 nan 0.000 0.453 433 W N -0.035 121.297 121.300 0.054 0.000 2.389 433 W HA -0.127 4.529 4.660 -0.006 0.000 0.267 433 W C 1.476 178.040 176.519 0.075 0.000 1.219 433 W CA 0.458 57.843 57.345 0.066 0.000 1.189 433 W CB -0.689 28.819 29.460 0.080 0.000 1.129 433 W HN 0.018 nan 8.180 nan 0.000 0.581 434 M N 0.973 120.354 119.600 -0.365 0.000 2.510 434 M HA 0.193 4.669 4.480 -0.005 0.000 0.256 434 M C 1.520 177.707 176.300 -0.189 0.000 1.132 434 M CA 1.338 56.326 55.300 -0.520 0.000 1.105 434 M CB -0.149 31.921 32.600 -0.883 0.000 1.375 434 M HN 0.147 nan 8.290 nan 0.000 0.477 435 G N 0.357 109.091 108.800 -0.109 0.000 2.562 435 G HA2 -0.258 3.698 3.960 -0.005 0.000 0.250 435 G HA3 -0.258 3.698 3.960 -0.005 0.000 0.250 435 G C -0.324 174.528 174.900 -0.081 0.000 1.269 435 G CA -0.479 44.593 45.100 -0.047 0.000 0.919 435 G HN 0.123 nan 8.290 nan 0.000 0.574 436 V N 1.988 121.874 119.914 -0.047 0.000 2.242 436 V HA 0.332 4.449 4.120 -0.005 0.000 0.242 436 V C 1.289 177.407 176.094 0.040 0.000 1.240 436 V CA 0.671 62.963 62.300 -0.013 0.000 1.211 436 V CB -0.391 31.410 31.823 -0.036 0.000 1.338 436 V HN 0.510 nan 8.190 nan 0.000 0.499 437 M N 1.987 121.598 119.600 0.018 0.000 2.202 437 M HA 0.279 4.756 4.480 -0.005 0.000 0.316 437 M C 0.613 176.989 176.300 0.127 0.000 1.138 437 M CA -0.489 54.811 55.300 -0.001 0.000 1.151 437 M CB 0.282 32.783 32.600 -0.165 0.000 1.422 437 M HN 0.568 nan 8.290 nan 0.000 0.471 438 H N 0.244 119.245 119.070 -0.114 0.000 3.125 438 H HA 0.161 4.714 4.556 -0.005 0.000 0.310 438 H C 0.956 176.184 175.328 -0.166 0.000 0.980 438 H CA 2.035 57.951 56.048 -0.220 0.000 1.422 438 H CB 0.141 29.651 29.762 -0.421 0.000 1.432 438 H HN 0.743 nan 8.280 nan 0.000 0.577 439 G N 3.391 111.853 108.800 -0.563 0.000 2.176 439 G HA2 -0.289 3.668 3.960 -0.005 0.000 0.232 439 G HA3 -0.289 3.668 3.960 -0.005 0.000 0.232 439 G C 0.369 175.064 174.900 -0.342 0.000 0.986 439 G CA 0.321 45.058 45.100 -0.604 0.000 0.643 439 G HN 0.644 nan 8.290 nan 0.000 0.522 440 Y N 0.877 121.189 120.300 0.020 0.000 2.584 440 Y HA 0.275 4.821 4.550 -0.005 0.000 0.254 440 Y C 2.138 178.093 175.900 0.091 0.000 1.177 440 Y CA 0.551 58.746 58.100 0.159 0.000 1.216 440 Y CB 0.616 39.195 38.460 0.198 0.000 1.172 440 Y HN 0.416 nan 8.280 nan 0.000 0.529 441 E N 0.540 120.630 120.200 -0.184 0.000 2.318 441 E HA -0.062 4.285 4.350 -0.005 0.000 0.193 441 E C 1.568 178.044 176.600 -0.206 0.000 0.998 441 E CA 0.761 56.752 56.400 -0.683 0.000 0.859 441 E CB -0.280 28.696 29.700 -1.207 0.000 0.812 441 E HN 0.558 nan 8.360 nan 0.000 0.492 442 I N 2.646 123.187 120.570 -0.048 0.000 2.208 442 I HA -0.303 3.864 4.170 -0.005 0.000 0.245 442 I C 2.696 178.847 176.117 0.057 0.000 1.097 442 I CA 2.102 63.438 61.300 0.060 0.000 1.363 442 I CB -0.488 37.615 38.000 0.171 0.000 1.051 442 I HN 0.244 nan 8.210 nan 0.000 0.413 443 E N 0.916 121.124 120.200 0.014 0.000 2.150 443 E HA -0.205 4.142 4.350 -0.005 0.000 0.193 443 E C 2.078 178.534 176.600 -0.240 0.000 0.985 443 E CA 1.241 57.578 56.400 -0.105 0.000 0.814 443 E CB -0.498 29.145 29.700 -0.096 0.000 0.752 443 E HN 0.403 nan 8.360 nan 0.000 0.466 444 F N 1.403 121.236 119.950 -0.195 0.000 2.206 444 F HA -0.085 4.439 4.527 -0.005 0.000 0.298 444 F C 2.365 177.954 175.800 -0.351 0.000 1.090 444 F CA 0.781 58.625 58.000 -0.259 0.000 1.323 444 F CB -0.121 38.780 39.000 -0.164 0.000 1.028 444 F HN -0.119 nan 8.300 nan 0.000 0.492 445 V N -1.128 118.631 119.914 -0.258 0.000 2.379 445 V HA -0.265 3.852 4.120 -0.005 0.000 0.245 445 V C 1.930 177.766 176.094 -0.429 0.000 1.044 445 V CA 1.578 63.552 62.300 -0.543 0.000 1.036 445 V CB -0.666 30.815 31.823 -0.571 0.000 0.664 445 V HN 0.189 nan 8.190 nan 0.000 0.453 446 F N 0.614 120.401 119.950 -0.271 0.000 2.661 446 F HA 0.288 4.812 4.527 -0.005 0.000 0.298 446 F C 1.894 177.605 175.800 -0.149 0.000 1.137 446 F CA 1.067 58.948 58.000 -0.198 0.000 1.454 446 F CB -0.128 38.728 39.000 -0.240 0.000 1.103 446 F HN 0.308 nan 8.300 nan 0.000 0.577 447 G N -0.327 108.391 108.800 -0.137 0.000 2.144 447 G HA2 -0.235 3.721 3.960 -0.005 0.000 0.218 447 G HA3 -0.235 3.721 3.960 -0.005 0.000 0.218 447 G C 1.059 175.632 174.900 -0.545 0.000 0.988 447 G CA 0.233 45.203 45.100 -0.216 0.000 0.659 447 G HN 0.309 nan 8.290 nan 0.000 0.522 448 L N -0.096 120.766 121.223 -0.603 0.000 2.083 448 L HA -0.027 4.310 4.340 -0.005 0.000 0.209 448 L C -0.090 176.361 176.870 -0.698 0.000 1.083 448 L CA 1.936 56.320 54.840 -0.759 0.000 0.752 448 L CB -1.314 40.474 42.059 -0.452 0.000 0.899 448 L HN 0.162 nan 8.230 nan 0.000 0.433 449 P HA -0.082 nan 4.420 nan 0.000 0.234 449 P C 1.801 178.822 177.300 -0.466 0.000 1.167 449 P CA 0.892 63.403 63.100 -0.982 0.000 0.763 449 P CB 0.055 30.935 31.700 -1.366 0.000 0.835 450 L N -0.667 120.312 121.223 -0.405 0.000 2.201 450 L HA -0.074 4.262 4.340 -0.005 0.000 0.212 450 L C 1.335 178.050 176.870 -0.259 0.000 1.105 450 L CA 0.700 55.350 54.840 -0.316 0.000 0.775 450 L CB -0.817 41.093 42.059 -0.248 0.000 0.913 450 L HN -0.025 nan 8.230 nan 0.000 0.440 451 E N 0.927 121.079 120.200 -0.080 0.000 1.795 451 E HA -0.030 4.317 4.350 -0.005 0.000 0.261 451 E C 1.248 177.880 176.600 0.052 0.000 1.238 451 E CA 0.073 56.553 56.400 0.133 0.000 1.001 451 E CB 0.170 29.912 29.700 0.069 0.000 1.065 451 E HN 0.057 nan 8.360 nan 0.000 0.418 452 R N 2.381 122.882 120.500 0.001 0.000 2.189 452 R HA -0.259 4.078 4.340 -0.005 0.000 0.252 452 R C 1.454 177.776 176.300 0.037 0.000 1.134 452 R CA 1.957 58.060 56.100 0.005 0.000 0.954 452 R CB -0.062 30.223 30.300 -0.025 0.000 0.890 452 R HN 0.446 nan 8.270 nan 0.000 0.443 453 R N 0.324 120.860 120.500 0.060 0.000 2.407 453 R HA -0.168 4.169 4.340 -0.005 0.000 0.241 453 R C 0.563 176.878 176.300 0.024 0.000 1.180 453 R CA 1.230 57.358 56.100 0.047 0.000 1.048 453 R CB -0.511 29.831 30.300 0.070 0.000 0.847 453 R HN 0.383 nan 8.270 nan 0.000 0.488 454 D N -0.735 119.685 120.400 0.035 0.000 2.462 454 D HA 0.042 4.678 4.640 -0.005 0.000 0.221 454 D C -0.272 175.966 176.300 -0.104 0.000 1.173 454 D CA -0.109 53.889 54.000 -0.003 0.000 0.831 454 D CB 0.390 41.228 40.800 0.062 0.000 1.001 454 D HN -0.190 nan 8.370 nan 0.000 0.499 455 Q N -1.127 118.633 119.800 -0.066 0.000 2.503 455 Q HA -0.225 4.111 4.340 -0.005 0.000 0.267 455 Q C -1.317 174.584 176.000 -0.165 0.000 1.030 455 Q CA 0.624 56.358 55.803 -0.116 0.000 1.041 455 Q CB -2.435 26.198 28.738 -0.175 0.000 1.406 455 Q HN 0.528 nan 8.270 nan 0.000 0.524 456 Y N -0.547 119.731 120.300 -0.036 0.000 2.453 456 Y HA 0.482 5.029 4.550 -0.005 0.000 0.326 456 Y C 1.539 177.435 175.900 -0.008 0.000 1.186 456 Y CA -0.216 57.873 58.100 -0.019 0.000 1.200 456 Y CB 1.029 39.444 38.460 -0.076 0.000 1.247 456 Y HN 0.120 nan 8.280 nan 0.000 0.482 457 T N -1.387 113.291 114.554 0.206 0.000 2.795 457 T HA 0.026 4.373 4.350 -0.005 0.000 0.314 457 T C 1.175 175.916 174.700 0.068 0.000 1.069 457 T CA -0.680 61.487 62.100 0.112 0.000 1.071 457 T CB 0.800 69.736 68.868 0.112 0.000 0.988 457 T HN 0.610 nan 8.240 nan 0.000 0.543 458 K N 1.351 121.770 120.400 0.031 0.000 2.032 458 K HA -0.032 4.285 4.320 -0.005 0.000 0.209 458 K C 2.471 179.065 176.600 -0.011 0.000 1.048 458 K CA 1.923 58.210 56.287 0.000 0.000 0.927 458 K CB -1.258 31.240 32.500 -0.004 0.000 0.712 458 K HN 0.794 nan 8.250 nan 0.000 0.441 459 A N 0.622 123.441 122.820 -0.002 0.000 1.933 459 A HA -0.180 4.137 4.320 -0.005 0.000 0.218 459 A C 1.966 179.517 177.584 -0.054 0.000 1.175 459 A CA 1.862 53.881 52.037 -0.030 0.000 0.628 459 A CB -0.482 18.504 19.000 -0.023 0.000 0.814 459 A HN 0.516 nan 8.150 nan 0.000 0.444 460 E N -0.625 119.572 120.200 -0.005 0.000 2.072 460 E HA -0.199 4.148 4.350 -0.005 0.000 0.191 460 E C 2.052 178.627 176.600 -0.043 0.000 0.985 460 E CA 1.023 57.449 56.400 0.043 0.000 0.801 460 E CB -0.187 29.633 29.700 0.200 0.000 0.750 460 E HN 0.801 nan 8.360 nan 0.000 0.452 461 E N 0.807 120.950 120.200 -0.096 0.000 2.085 461 E HA -0.228 4.119 4.350 -0.005 0.000 0.194 461 E C 2.025 178.555 176.600 -0.117 0.000 0.994 461 E CA 0.918 57.225 56.400 -0.155 0.000 0.801 461 E CB 0.101 29.726 29.700 -0.125 0.000 0.743 461 E HN 0.136 nan 8.360 nan 0.000 0.453 462 I N 1.100 121.624 120.570 -0.077 0.000 2.202 462 I HA -0.231 3.936 4.170 -0.005 0.000 0.242 462 I C 2.546 178.632 176.117 -0.053 0.000 1.091 462 I CA 0.710 61.973 61.300 -0.063 0.000 1.368 462 I CB -1.190 36.779 38.000 -0.051 0.000 1.058 462 I HN 0.284 nan 8.210 nan 0.000 0.410 463 L N 0.368 121.562 121.223 -0.048 0.000 2.017 463 L HA -0.191 4.146 4.340 -0.005 0.000 0.208 463 L C 2.716 179.601 176.870 0.026 0.000 1.073 463 L CA 1.979 56.798 54.840 -0.036 0.000 0.745 463 L CB -1.011 40.984 42.059 -0.106 0.000 0.894 463 L HN 0.118 nan 8.230 nan 0.000 0.432 464 S N -1.022 114.714 115.700 0.061 0.000 2.383 464 S HA -0.238 4.229 4.470 -0.005 0.000 0.229 464 S C 2.202 176.746 174.600 -0.093 0.000 1.030 464 S CA 1.447 59.631 58.200 -0.027 0.000 1.002 464 S CB -0.321 62.727 63.200 -0.254 0.000 0.829 464 S HN 0.542 nan 8.310 nan 0.000 0.467 465 R N 0.825 121.274 120.500 -0.084 0.000 2.119 465 R HA 0.157 4.494 4.340 -0.005 0.000 0.222 465 R C 2.406 178.685 176.300 -0.035 0.000 1.088 465 R CA 1.837 57.893 56.100 -0.073 0.000 0.984 465 R CB -0.964 29.290 30.300 -0.077 0.000 0.884 465 R HN 0.338 nan 8.270 nan 0.000 0.447 466 S N -0.232 115.454 115.700 -0.024 0.000 2.357 466 S HA -0.009 4.458 4.470 -0.005 0.000 0.221 466 S C 1.921 176.544 174.600 0.038 0.000 1.031 466 S CA 1.079 59.286 58.200 0.012 0.000 0.982 466 S CB -0.252 62.954 63.200 0.010 0.000 0.853 466 S HN 0.387 nan 8.310 nan 0.000 0.458 467 I N 1.363 121.917 120.570 -0.026 0.000 2.113 467 I HA -0.195 3.972 4.170 -0.005 0.000 0.242 467 I C 2.391 178.443 176.117 -0.108 0.000 1.064 467 I CA 1.415 62.641 61.300 -0.123 0.000 1.320 467 I CB -0.561 37.216 38.000 -0.371 0.000 1.028 467 I HN 0.209 nan 8.210 nan 0.000 0.406 468 V N 0.951 120.780 119.914 -0.142 0.000 2.332 468 V HA -0.323 3.794 4.120 -0.005 0.000 0.248 468 V C 2.519 178.638 176.094 0.042 0.000 1.055 468 V CA 2.228 64.473 62.300 -0.093 0.000 1.038 468 V CB -0.655 31.114 31.823 -0.090 0.000 0.651 468 V HN 0.398 nan 8.190 nan 0.000 0.450 469 K N 0.621 121.058 120.400 0.061 0.000 2.097 469 K HA -0.119 4.197 4.320 -0.005 0.000 0.205 469 K C 2.174 178.873 176.600 0.165 0.000 1.050 469 K CA 1.450 57.794 56.287 0.096 0.000 0.938 469 K CB -0.369 32.182 32.500 0.084 0.000 0.718 469 K HN 0.387 nan 8.250 nan 0.000 0.442 470 R N -0.957 119.691 120.500 0.247 0.000 2.096 470 R HA -0.104 4.233 4.340 -0.005 0.000 0.235 470 R C 2.342 178.841 176.300 0.332 0.000 1.127 470 R CA 1.664 57.968 56.100 0.340 0.000 0.968 470 R CB -0.442 30.175 30.300 0.528 0.000 0.861 470 R HN 0.379 nan 8.270 nan 0.000 0.440 471 W N 0.312 121.605 121.300 -0.012 0.000 2.388 471 W HA -0.079 4.579 4.660 -0.004 0.000 0.294 471 W C 2.262 178.735 176.519 -0.078 0.000 1.212 471 W CA 0.794 58.101 57.345 -0.064 0.000 1.271 471 W CB -0.009 29.363 29.460 -0.148 0.000 1.126 471 W HN 0.234 nan 8.180 nan 0.000 0.535 472 A N 0.234 123.126 122.820 0.120 0.000 1.935 472 A HA -0.140 4.177 4.320 -0.005 0.000 0.214 472 A C 1.682 179.197 177.584 -0.115 0.000 1.178 472 A CA 1.190 53.212 52.037 -0.027 0.000 0.640 472 A CB -0.841 18.149 19.000 -0.017 0.000 0.825 472 A HN 0.147 nan 8.150 nan 0.000 0.447 473 N N -0.560 118.131 118.700 -0.016 0.000 2.149 473 N HA -0.155 4.582 4.740 -0.005 0.000 0.188 473 N C 1.349 176.817 175.510 -0.070 0.000 1.019 473 N CA 1.421 54.465 53.050 -0.010 0.000 0.857 473 N CB -0.603 37.992 38.487 0.180 0.000 0.997 473 N HN 0.526 nan 8.380 nan 0.000 0.426 474 F N 1.588 121.415 119.950 -0.205 0.000 2.102 474 F HA -0.091 4.432 4.527 -0.006 0.000 0.298 474 F C 2.186 177.844 175.800 -0.237 0.000 1.105 474 F CA 1.368 59.201 58.000 -0.280 0.000 1.239 474 F CB -0.521 38.230 39.000 -0.416 0.000 0.991 474 F HN 0.038 nan 8.300 nan 0.000 0.474 475 A N 0.378 123.051 122.820 -0.245 0.000 1.877 475 A HA -0.217 4.100 4.320 -0.005 0.000 0.216 475 A C 2.208 179.559 177.584 -0.388 0.000 1.186 475 A CA 2.068 53.924 52.037 -0.302 0.000 0.620 475 A CB -0.685 18.203 19.000 -0.185 0.000 0.822 475 A HN 0.488 nan 8.150 nan 0.000 0.443 476 K N -2.249 117.849 120.400 -0.504 0.000 2.228 476 K HA 0.009 4.326 4.320 -0.005 0.000 0.202 476 K C 0.896 177.164 176.600 -0.553 0.000 1.051 476 K CA 1.390 57.273 56.287 -0.673 0.000 0.960 476 K CB -0.093 31.631 32.500 -1.294 0.000 0.743 476 K HN 0.755 nan 8.250 nan 0.000 0.458 477 Y N -1.471 118.721 120.300 -0.179 0.000 2.540 477 Y HA 0.205 4.751 4.550 -0.005 0.000 0.257 477 Y C 1.093 176.874 175.900 -0.198 0.000 1.090 477 Y CA -0.275 57.739 58.100 -0.144 0.000 1.242 477 Y CB 1.677 40.084 38.460 -0.089 0.000 1.325 477 Y HN 0.128 nan 8.280 nan 0.000 0.544 478 G N 1.808 110.439 108.800 -0.283 0.000 2.160 478 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.251 478 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.251 478 G C -0.441 174.338 174.900 -0.202 0.000 1.008 478 G CA 0.342 45.167 45.100 -0.459 0.000 0.724 478 G HN 0.338 nan 8.290 nan 0.000 0.514 479 N N -0.140 118.474 118.700 -0.142 0.000 2.500 479 N HA 0.426 5.163 4.740 -0.005 0.000 0.291 479 N C -2.899 172.453 175.510 -0.264 0.000 1.092 479 N CA -1.537 51.372 53.050 -0.235 0.000 0.890 479 N CB 2.699 41.170 38.487 -0.026 0.000 1.466 479 N HN -0.038 nan 8.380 nan 0.000 0.507 480 P HA 0.157 nan 4.420 nan 0.000 0.212 480 P C -0.605 176.718 177.300 0.039 0.000 1.816 480 P CA -0.237 62.711 63.100 -0.254 0.000 0.944 480 P CB 0.180 31.507 31.700 -0.621 0.000 1.896 481 Q N 0.569 120.413 119.800 0.074 0.000 2.260 481 Q HA 0.256 4.593 4.340 -0.005 0.000 0.242 481 Q C 0.274 176.378 176.000 0.174 0.000 0.932 481 Q CA -0.202 55.703 55.803 0.171 0.000 0.891 481 Q CB 1.388 30.205 28.738 0.133 0.000 1.222 481 Q HN 0.240 nan 8.270 nan 0.000 0.453 482 E N 1.639 121.943 120.200 0.173 0.000 2.081 482 E HA 0.119 4.466 4.350 -0.005 0.000 0.276 482 E C 0.079 176.741 176.600 0.103 0.000 0.950 482 E CA -0.125 56.353 56.400 0.131 0.000 0.776 482 E CB 0.800 30.570 29.700 0.116 0.000 1.094 482 E HN 0.686 nan 8.360 nan 0.000 0.402 483 T N 0.908 115.515 114.554 0.088 0.000 3.065 483 T HA 0.064 4.411 4.350 -0.005 0.000 0.252 483 T C 1.235 175.966 174.700 0.052 0.000 1.099 483 T CA 0.391 62.532 62.100 0.068 0.000 1.063 483 T CB 0.280 69.179 68.868 0.052 0.000 0.948 483 T HN 0.331 nan 8.240 nan 0.000 0.506 484 Q N 0.798 120.628 119.800 0.049 0.000 2.390 484 Q HA 0.242 4.579 4.340 -0.005 0.000 0.216 484 Q C 0.598 176.617 176.000 0.032 0.000 0.916 484 Q CA 0.292 56.117 55.803 0.037 0.000 0.911 484 Q CB 0.347 29.106 28.738 0.035 0.000 1.035 484 Q HN 0.323 nan 8.270 nan 0.000 0.541 485 N N 1.656 120.377 118.700 0.035 0.000 2.558 485 N HA 0.082 4.819 4.740 -0.005 0.000 0.281 485 N C -0.922 174.604 175.510 0.027 0.000 1.219 485 N CA 0.023 53.088 53.050 0.026 0.000 0.942 485 N CB 0.310 38.809 38.487 0.020 0.000 1.241 485 N HN 0.100 nan 8.380 nan 0.000 0.511 486 N N -0.247 118.472 118.700 0.031 0.000 2.725 486 N HA -0.176 4.561 4.740 -0.005 0.000 0.251 486 N C -0.958 174.574 175.510 0.037 0.000 1.031 486 N CA 0.653 53.722 53.050 0.032 0.000 0.720 486 N CB -1.267 37.234 38.487 0.024 0.000 0.930 486 N HN 0.157 nan 8.380 nan 0.000 0.543 487 S N -0.059 115.670 115.700 0.049 0.000 2.562 487 S HA 0.239 4.706 4.470 -0.005 0.000 0.275 487 S C 0.594 175.232 174.600 0.064 0.000 1.281 487 S CA -0.485 57.747 58.200 0.053 0.000 1.045 487 S CB 1.193 64.433 63.200 0.067 0.000 0.962 487 S HN 0.234 nan 8.310 nan 0.000 0.503 488 T N 3.247 117.831 114.554 0.051 0.000 2.777 488 T HA -0.074 4.273 4.350 -0.005 0.000 0.273 488 T C 0.556 175.320 174.700 0.106 0.000 1.016 488 T CA 0.574 62.709 62.100 0.059 0.000 1.156 488 T CB 0.038 68.921 68.868 0.025 0.000 1.019 488 T HN 0.519 nan 8.240 nan 0.000 0.503 489 S N 2.973 118.751 115.700 0.130 0.000 2.531 489 S HA 0.180 4.647 4.470 -0.005 0.000 0.279 489 S C -0.405 174.376 174.600 0.301 0.000 1.305 489 S CA -0.672 57.648 58.200 0.200 0.000 1.058 489 S CB 0.108 63.408 63.200 0.167 0.000 0.899 489 S HN 0.623 nan 8.310 nan 0.000 0.493 490 W N 8.352 129.759 121.300 0.179 0.000 2.308 490 W HA 0.421 5.077 4.660 -0.007 0.000 0.311 490 W C -2.681 174.049 176.519 0.351 0.000 1.088 490 W CA -3.149 54.349 57.345 0.255 0.000 1.309 490 W CB 0.193 29.800 29.460 0.245 0.000 1.229 490 W HN 0.453 nan 8.180 nan 0.000 0.427 491 P HA 0.067 nan 4.420 nan 0.000 0.274 491 P C -0.113 177.450 177.300 0.438 0.000 1.237 491 P CA -0.171 63.215 63.100 0.477 0.000 0.793 491 P CB 0.993 32.887 31.700 0.324 0.000 0.977 492 V N 0.940 120.947 119.914 0.154 0.000 2.924 492 V HA 0.289 4.406 4.120 -0.005 0.000 0.305 492 V C -0.333 175.794 176.094 0.055 0.000 1.073 492 V CA -0.564 61.606 62.300 -0.216 0.000 1.098 492 V CB -0.117 31.462 31.823 -0.408 0.000 1.000 492 V HN 0.334 nan 8.190 nan 0.000 0.484 493 F N 4.871 124.775 119.950 -0.077 0.000 2.438 493 F HA 0.622 5.148 4.527 -0.003 0.000 0.356 493 F C 0.265 176.072 175.800 0.011 0.000 1.099 493 F CA -0.052 57.985 58.000 0.060 0.000 1.185 493 F CB 0.548 39.624 39.000 0.127 0.000 1.115 493 F HN 0.532 nan 8.300 nan 0.000 0.526 494 K N 3.555 123.815 120.400 -0.233 0.000 2.375 494 K HA 0.298 4.615 4.320 -0.005 0.000 0.249 494 K C -0.800 175.635 176.600 -0.276 0.000 0.942 494 K CA -0.829 55.381 56.287 -0.128 0.000 0.806 494 K CB 2.076 34.521 32.500 -0.093 0.000 1.227 494 K HN 0.502 nan 8.250 nan 0.000 0.430 495 S N 1.589 117.239 115.700 -0.084 0.000 2.466 495 S HA 0.210 4.677 4.470 -0.005 0.000 0.286 495 S C 0.691 175.230 174.600 -0.103 0.000 1.221 495 S CA 0.930 59.082 58.200 -0.080 0.000 1.091 495 S CB -0.200 62.996 63.200 -0.007 0.000 0.956 495 S HN 0.817 nan 8.310 nan 0.000 0.501 496 T N 1.788 116.264 114.554 -0.130 0.000 12.581 496 T HA -0.155 4.192 4.350 -0.005 0.000 0.385 496 T C 0.867 175.486 174.700 -0.135 0.000 1.662 496 T CA 0.041 62.080 62.100 -0.103 0.000 2.754 496 T CB -1.079 67.743 68.868 -0.076 0.000 2.381 496 T HN 0.479 nan 8.240 nan 0.000 0.177 497 E N 2.311 122.417 120.200 -0.157 0.000 2.299 497 E HA 0.331 4.678 4.350 -0.005 0.000 0.193 497 E C 0.348 176.815 176.600 -0.221 0.000 0.998 497 E CA 0.417 56.731 56.400 -0.142 0.000 0.851 497 E CB -0.216 29.428 29.700 -0.093 0.000 0.795 497 E HN 0.728 nan 8.360 nan 0.000 0.492 498 Q N 1.121 120.643 119.800 -0.463 0.000 2.443 498 Q HA -0.207 4.130 4.340 -0.005 0.000 0.337 498 Q C -1.023 174.793 176.000 -0.307 0.000 1.401 498 Q CA 0.538 55.831 55.803 -0.850 0.000 0.943 498 Q CB -1.166 27.247 28.738 -0.543 0.000 1.177 498 Q HN 0.254 nan 8.270 nan 0.000 0.394 499 K N 1.265 121.579 120.400 -0.143 0.000 2.249 499 K HA 0.390 4.707 4.320 -0.005 0.000 0.280 499 K C -0.298 176.591 176.600 0.481 0.000 1.033 499 K CA -0.289 56.081 56.287 0.139 0.000 0.946 499 K CB 0.579 33.149 32.500 0.117 0.000 1.005 499 K HN 0.264 nan 8.250 nan 0.000 0.469 500 Y N -0.106 120.393 120.300 0.331 0.000 2.576 500 Y HA 0.627 5.174 4.550 -0.006 0.000 0.346 500 Y C -1.374 174.680 175.900 0.257 0.000 1.018 500 Y CA -1.746 56.638 58.100 0.473 0.000 1.050 500 Y CB 0.789 39.584 38.460 0.559 0.000 1.280 500 Y HN 0.330 nan 8.280 nan 0.000 0.474 501 L N 2.990 124.328 121.223 0.191 0.000 2.295 501 L HA 0.623 4.960 4.340 -0.005 0.000 0.285 501 L C -0.064 176.859 176.870 0.088 0.000 1.035 501 L CA -0.186 54.554 54.840 -0.165 0.000 0.806 501 L CB 1.582 43.135 42.059 -0.843 0.000 1.214 501 L HN 0.963 nan 8.230 nan 0.000 0.426 502 T N 3.289 117.888 114.554 0.074 0.000 2.845 502 T HA 0.555 4.902 4.350 -0.005 0.000 0.288 502 T C -0.170 174.564 174.700 0.058 0.000 0.980 502 T CA -0.644 61.590 62.100 0.224 0.000 1.071 502 T CB 0.595 69.605 68.868 0.237 0.000 0.941 502 T HN 0.502 nan 8.240 nan 0.000 0.487 503 L N 4.322 125.582 121.223 0.061 0.000 2.277 503 L HA 0.529 4.865 4.340 -0.005 0.000 0.284 503 L C -0.056 176.686 176.870 -0.213 0.000 1.028 503 L CA -0.741 54.062 54.840 -0.063 0.000 0.835 503 L CB 0.264 42.347 42.059 0.040 0.000 1.215 503 L HN 0.929 nan 8.230 nan 0.000 0.425 504 N N -0.831 117.762 118.700 -0.178 0.000 2.853 504 N HA 0.323 5.060 4.740 -0.005 0.000 0.258 504 N C 0.517 175.922 175.510 -0.176 0.000 1.444 504 N CA -0.404 52.524 53.050 -0.204 0.000 0.837 504 N CB 0.969 39.392 38.487 -0.105 0.000 1.489 504 N HN 0.252 nan 8.380 nan 0.000 0.529 505 T N -2.900 111.549 114.554 -0.174 0.000 2.951 505 T HA 0.008 4.355 4.350 -0.005 0.000 0.268 505 T C 0.526 175.180 174.700 -0.077 0.000 1.073 505 T CA 1.139 63.138 62.100 -0.168 0.000 1.134 505 T CB -0.429 68.339 68.868 -0.167 0.000 0.884 505 T HN 0.606 nan 8.240 nan 0.000 0.479 506 E N 2.325 122.499 120.200 -0.043 0.000 3.607 506 E HA 0.281 4.627 4.350 -0.005 0.000 0.550 506 E C 0.673 177.257 176.600 -0.027 0.000 0.246 506 E CA 0.212 56.597 56.400 -0.025 0.000 3.269 506 E CB -0.024 29.672 29.700 -0.007 0.000 2.315 506 E HN 0.487 nan 8.360 nan 0.000 0.350 507 S N 0.370 116.060 115.700 -0.016 0.000 2.541 507 S HA 0.370 4.837 4.470 -0.005 0.000 0.283 507 S C -0.159 174.428 174.600 -0.020 0.000 1.196 507 S CA -0.842 57.348 58.200 -0.016 0.000 1.062 507 S CB 1.110 64.306 63.200 -0.007 0.000 1.009 507 S HN 0.412 nan 8.310 nan 0.000 0.502 508 T N 0.998 115.536 114.554 -0.026 0.000 2.837 508 T HA 0.608 4.955 4.350 -0.005 0.000 0.285 508 T C -0.314 174.364 174.700 -0.036 0.000 0.984 508 T CA -0.945 61.134 62.100 -0.035 0.000 1.049 508 T CB 0.516 69.351 68.868 -0.055 0.000 0.947 508 T HN 0.752 nan 8.240 nan 0.000 0.472 509 R N 1.915 122.389 120.500 -0.043 0.000 2.778 509 R HA 0.544 4.881 4.340 -0.005 0.000 0.277 509 R C -0.536 175.698 176.300 -0.111 0.000 0.977 509 R CA -1.191 54.873 56.100 -0.059 0.000 0.950 509 R CB 1.297 31.567 30.300 -0.049 0.000 1.165 509 R HN 0.492 nan 8.270 nan 0.000 0.474 510 I N 3.851 124.362 120.570 -0.098 0.000 2.379 510 I HA 0.181 4.348 4.170 -0.005 0.000 0.290 510 I C 0.450 176.433 176.117 -0.224 0.000 1.063 510 I CA 0.204 61.424 61.300 -0.134 0.000 1.351 510 I CB 0.175 38.155 38.000 -0.034 0.000 1.410 510 I HN 0.490 nan 8.210 nan 0.000 0.505 511 M N 5.105 124.412 119.600 -0.488 0.000 2.861 511 M HA 0.604 5.080 4.480 -0.005 0.000 0.294 511 M C 0.010 176.059 176.300 -0.418 0.000 1.185 511 M CA -0.664 54.327 55.300 -0.515 0.000 0.809 511 M CB 1.803 33.979 32.600 -0.706 0.000 1.722 511 M HN 0.530 nan 8.290 nan 0.000 0.496 512 T N -2.082 112.416 114.554 -0.094 0.000 2.886 512 T HA 0.540 4.887 4.350 -0.005 0.000 0.292 512 T C -0.513 174.332 174.700 0.241 0.000 1.012 512 T CA -0.870 61.289 62.100 0.100 0.000 0.982 512 T CB 1.793 70.668 68.868 0.011 0.000 1.018 512 T HN 0.673 nan 8.240 nan 0.000 0.451 513 K N 0.714 121.235 120.400 0.202 0.000 3.244 513 K HA -0.142 4.175 4.320 -0.005 0.000 0.270 513 K C -0.066 176.581 176.600 0.078 0.000 1.016 513 K CA -0.132 56.211 56.287 0.094 0.000 0.754 513 K CB -1.568 30.960 32.500 0.046 0.000 1.326 513 K HN 0.667 nan 8.250 nan 0.000 0.465 514 L N 1.640 122.843 121.223 -0.034 0.000 2.653 514 L HA -0.104 4.233 4.340 -0.005 0.000 0.288 514 L C 0.577 177.378 176.870 -0.115 0.000 1.243 514 L CA 1.051 55.720 54.840 -0.284 0.000 0.906 514 L CB 0.089 41.653 42.059 -0.824 0.000 1.154 514 L HN 0.447 nan 8.230 nan 0.000 0.498 515 R N 2.637 123.110 120.500 -0.046 0.000 3.333 515 R HA -0.261 4.075 4.340 -0.005 0.000 0.256 515 R C 1.077 177.418 176.300 0.068 0.000 1.010 515 R CA 0.806 56.934 56.100 0.046 0.000 0.680 515 R CB -2.465 27.898 30.300 0.105 0.000 1.102 515 R HN 0.870 nan 8.270 nan 0.000 0.440 516 A N 0.637 123.486 122.820 0.048 0.000 1.858 516 A HA -0.202 4.115 4.320 -0.005 0.000 0.216 516 A C 2.107 179.732 177.584 0.067 0.000 1.190 516 A CA 1.553 53.621 52.037 0.051 0.000 0.617 516 A CB -0.219 18.804 19.000 0.037 0.000 0.827 516 A HN 0.533 nan 8.150 nan 0.000 0.443 517 Q N -1.147 118.684 119.800 0.052 0.000 2.119 517 Q HA -0.229 4.108 4.340 -0.005 0.000 0.201 517 Q C 2.318 178.356 176.000 0.064 0.000 0.972 517 Q CA 1.725 57.551 55.803 0.040 0.000 0.847 517 Q CB -0.102 28.635 28.738 -0.001 0.000 0.903 517 Q HN 0.767 nan 8.270 nan 0.000 0.433 518 Q N -0.811 119.052 119.800 0.104 0.000 2.119 518 Q HA -0.111 4.226 4.340 -0.005 0.000 0.201 518 Q C 2.038 178.286 176.000 0.414 0.000 0.972 518 Q CA 1.362 57.306 55.803 0.234 0.000 0.847 518 Q CB -0.074 28.872 28.738 0.347 0.000 0.903 518 Q HN 0.348 nan 8.270 nan 0.000 0.433 519 c N -0.189 118.603 118.600 0.321 0.000 2.464 519 c HA 0.081 4.648 4.570 -0.005 0.000 0.278 519 c C 2.379 176.603 174.090 0.222 0.000 1.375 519 c CA -0.106 56.423 56.329 0.333 0.000 1.761 519 c CB -0.615 42.028 42.510 0.221 0.000 1.944 519 c HN 0.453 nan 8.230 nan 0.000 0.509 520 R N 0.245 120.836 120.500 0.151 0.000 2.096 520 R HA -0.185 4.152 4.340 -0.005 0.000 0.240 520 R C 2.013 178.362 176.300 0.082 0.000 1.139 520 R CA 1.924 58.085 56.100 0.100 0.000 0.952 520 R CB -0.522 29.822 30.300 0.074 0.000 0.854 520 R HN 0.593 nan 8.270 nan 0.000 0.436 521 F N -0.356 119.531 119.950 -0.104 0.000 2.069 521 F HA -0.240 4.283 4.527 -0.006 0.000 0.298 521 F C 1.579 177.263 175.800 -0.193 0.000 1.113 521 F CA 1.634 59.474 58.000 -0.266 0.000 1.214 521 F CB -0.396 38.257 39.000 -0.579 0.000 0.978 521 F HN 0.037 nan 8.300 nan 0.000 0.474 522 W N 0.201 121.510 121.300 0.015 0.000 2.388 522 W HA -0.104 4.553 4.660 -0.006 0.000 0.294 522 W C 2.552 179.053 176.519 -0.030 0.000 1.212 522 W CA 1.708 59.023 57.345 -0.049 0.000 1.271 522 W CB -0.874 28.698 29.460 0.187 0.000 1.126 522 W HN -0.131 nan 8.180 nan 0.000 0.535 523 T N -1.398 113.268 114.554 0.187 0.000 2.976 523 T HA -0.050 4.297 4.350 -0.005 0.000 0.257 523 T C 1.707 176.445 174.700 0.062 0.000 1.051 523 T CA 1.544 63.724 62.100 0.133 0.000 1.141 523 T CB -0.200 68.750 68.868 0.136 0.000 0.881 523 T HN -0.035 nan 8.240 nan 0.000 0.461 524 S N 0.654 116.375 115.700 0.035 0.000 2.517 524 S HA 0.243 4.710 4.470 -0.005 0.000 0.228 524 S C 1.478 176.099 174.600 0.034 0.000 1.060 524 S CA -0.209 58.016 58.200 0.041 0.000 0.937 524 S CB -0.339 62.899 63.200 0.064 0.000 0.840 524 S HN 0.378 nan 8.310 nan 0.000 0.546 525 F N 2.387 122.231 119.950 -0.176 0.000 2.053 525 F HA 0.137 4.661 4.527 -0.006 0.000 0.292 525 F C 1.876 177.507 175.800 -0.282 0.000 1.125 525 F CA 0.535 58.402 58.000 -0.223 0.000 1.193 525 F CB -1.011 37.817 39.000 -0.287 0.000 0.996 525 F HN 0.165 nan 8.300 nan 0.000 0.470 526 F N 1.812 120.966 119.950 -1.327 0.000 2.106 526 F HA -0.216 4.308 4.527 -0.006 0.000 0.299 526 F C -0.858 174.587 175.800 -0.591 0.000 1.082 526 F CA 2.138 59.452 58.000 -1.143 0.000 1.244 526 F CB -1.875 36.576 39.000 -0.916 0.000 0.997 526 F HN 0.025 nan 8.300 nan 0.000 0.486 527 P HA -0.138 nan 4.420 nan 0.000 0.231 527 P C 0.870 178.018 177.300 -0.253 0.000 1.158 527 P CA 1.518 64.528 63.100 -0.150 0.000 0.763 527 P CB -0.103 31.579 31.700 -0.029 0.000 0.805 528 K N -0.563 119.597 120.400 -0.399 0.000 2.099 528 K HA 0.038 4.355 4.320 -0.005 0.000 0.203 528 K C 1.259 177.670 176.600 -0.315 0.000 1.047 528 K CA 0.362 56.474 56.287 -0.293 0.000 0.963 528 K CB -0.856 31.521 32.500 -0.205 0.000 0.759 528 K HN 0.064 nan 8.250 nan 0.000 0.451 529 V N 0.000 119.599 119.914 -0.525 0.000 2.409 529 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 529 V CA 0.000 62.068 62.300 -0.387 0.000 1.235 529 V CB 0.000 31.445 31.823 -0.629 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556