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 2hu0_1_E DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS SNGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.037 176.094 -0.095 0.000 1.182 83 V CA 0.000 62.255 62.300 -0.075 0.000 1.235 83 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 84 K N 2.761 123.132 120.400 -0.049 0.000 2.379 84 K HA 0.445 4.764 4.320 -0.000 0.000 0.284 84 K C -0.420 176.170 176.600 -0.016 0.000 1.044 84 K CA -0.539 55.729 56.287 -0.032 0.000 0.974 84 K CB 0.636 33.129 32.500 -0.010 0.000 0.962 84 K HN 0.434 nan 8.250 nan 0.000 0.474 85 L N 3.117 124.338 121.223 -0.004 0.000 2.628 85 L HA -0.076 4.264 4.340 -0.000 0.000 0.274 85 L C 0.098 176.990 176.870 0.037 0.000 1.209 85 L CA 0.897 55.752 54.840 0.025 0.000 0.930 85 L CB -0.242 41.850 42.059 0.055 0.000 1.183 85 L HN 0.773 nan 8.230 nan 0.000 0.492 86 A N 3.515 126.354 122.820 0.032 0.000 2.316 86 A HA 0.637 4.956 4.320 -0.000 0.000 0.284 86 A C 0.824 178.433 177.584 0.042 0.000 1.115 86 A CA 0.118 52.175 52.037 0.035 0.000 0.812 86 A CB 0.608 19.622 19.000 0.023 0.000 1.064 86 A HN 0.874 nan 8.150 nan 0.000 0.489 87 G N 0.184 109.011 108.800 0.046 0.000 4.331 87 G HA2 0.187 4.147 3.960 -0.000 0.000 0.299 87 G HA3 0.187 4.147 3.960 -0.000 0.000 0.299 87 G C 0.354 175.265 174.900 0.019 0.000 1.158 87 G CA 0.274 45.399 45.100 0.043 0.000 0.916 87 G HN 0.915 nan 8.290 nan 0.000 0.553 88 N N -0.408 118.299 118.700 0.013 0.000 2.422 88 N HA 0.011 4.751 4.740 -0.000 0.000 0.181 88 N C 1.343 176.847 175.510 -0.009 0.000 1.080 88 N CA 0.225 53.275 53.050 0.000 0.000 0.893 88 N CB 0.206 38.695 38.487 0.003 0.000 0.973 88 N HN 0.216 nan 8.380 nan 0.000 0.456 89 S N -0.249 115.446 115.700 -0.008 0.000 2.634 89 S HA 0.368 4.838 4.470 -0.000 0.000 0.261 89 S C 0.101 174.685 174.600 -0.027 0.000 1.271 89 S CA -0.849 57.342 58.200 -0.016 0.000 0.985 89 S CB 1.363 64.554 63.200 -0.015 0.000 0.968 89 S HN 0.094 nan 8.310 nan 0.000 0.568 90 S N 0.114 115.791 115.700 -0.038 0.000 2.690 90 S HA 0.484 4.954 4.470 -0.000 0.000 0.291 90 S C 0.047 174.599 174.600 -0.080 0.000 1.138 90 S CA -0.880 57.283 58.200 -0.061 0.000 1.013 90 S CB 0.376 63.539 63.200 -0.062 0.000 1.053 90 S HN 0.602 nan 8.310 nan 0.000 0.539 91 L N 1.462 122.598 121.223 -0.145 0.000 2.559 91 L HA 0.041 4.381 4.340 -0.000 0.000 0.282 91 L C 0.168 176.992 176.870 -0.075 0.000 1.232 91 L CA -0.407 54.316 54.840 -0.194 0.000 0.885 91 L CB -0.360 41.419 42.059 -0.468 0.000 1.131 91 L HN 0.660 nan 8.230 nan 0.000 0.498 92 c N 3.830 122.392 118.600 -0.065 0.000 2.676 92 c HA 0.208 4.778 4.570 -0.000 0.000 0.416 92 c C -1.485 172.630 174.090 0.042 0.000 1.299 92 c CA -0.948 55.357 56.329 -0.040 0.000 2.048 92 c CB -0.402 42.041 42.510 -0.112 0.000 2.713 92 c HN 0.557 nan 8.230 nan 0.000 0.624 93 P HA 0.465 nan 4.420 nan 0.000 0.279 93 P C -0.794 176.353 177.300 -0.256 0.000 1.239 93 P CA 0.262 63.311 63.100 -0.084 0.000 0.789 93 P CB 0.668 32.324 31.700 -0.074 0.000 0.933 94 I N -0.844 119.461 120.570 -0.442 0.000 3.145 94 I HA 0.505 4.675 4.170 -0.000 0.000 0.313 94 I C 0.152 176.003 176.117 -0.443 0.000 1.122 94 I CA -1.043 59.952 61.300 -0.508 0.000 0.987 94 I CB 2.187 39.708 38.000 -0.799 0.000 1.236 94 I HN 0.040 nan 8.210 nan 0.000 0.453 95 N N 0.768 119.232 118.700 -0.394 0.000 2.360 95 N HA 0.348 5.088 4.740 -0.000 0.000 0.211 95 N C 0.281 175.697 175.510 -0.157 0.000 1.147 95 N CA 0.520 53.438 53.050 -0.220 0.000 0.866 95 N CB 1.921 40.324 38.487 -0.140 0.000 1.206 95 N HN 0.930 nan 8.380 nan 0.000 0.478 96 G N -0.524 108.012 108.800 -0.440 0.000 2.650 96 G HA2 0.493 4.453 3.960 -0.000 0.000 0.310 96 G HA3 0.493 4.453 3.960 -0.000 0.000 0.310 96 G C -2.137 172.258 174.900 -0.841 0.000 1.270 96 G CA -0.680 44.176 45.100 -0.407 0.000 0.810 96 G HN 0.048 nan 8.290 nan 0.000 0.493 97 W N -0.041 121.210 121.300 -0.081 0.000 2.785 97 W HA 0.743 5.403 4.660 -0.000 0.000 0.333 97 W C 0.088 176.686 176.519 0.132 0.000 1.062 97 W CA -0.574 56.768 57.345 -0.006 0.000 1.233 97 W CB 2.421 31.922 29.460 0.068 0.000 1.413 97 W HN 0.748 nan 8.180 nan 0.000 0.489 98 A N 2.070 125.063 122.820 0.289 0.000 2.324 98 A HA 0.773 5.093 4.320 -0.000 0.000 0.330 98 A C -0.406 177.318 177.584 0.233 0.000 1.165 98 A CA -0.832 51.349 52.037 0.240 0.000 0.813 98 A CB 0.514 19.577 19.000 0.105 0.000 1.197 98 A HN 0.617 nan 8.150 nan 0.000 0.484 99 V N 1.022 120.953 119.914 0.028 0.000 2.694 99 V HA 0.022 4.142 4.120 -0.000 0.000 0.306 99 V C 0.646 176.585 176.094 -0.257 0.000 1.054 99 V CA 0.642 62.608 62.300 -0.556 0.000 1.161 99 V CB -0.443 30.925 31.823 -0.758 0.000 0.916 99 V HN 0.980 nan 8.190 nan 0.000 0.490 100 Y N 2.579 122.568 120.300 -0.518 0.000 2.736 100 Y HA 0.336 4.885 4.550 -0.000 0.000 0.272 100 Y C 1.227 176.991 175.900 -0.225 0.000 1.118 100 Y CA 0.663 58.612 58.100 -0.251 0.000 1.248 100 Y CB 0.728 39.115 38.460 -0.122 0.000 1.437 100 Y HN 0.875 nan 8.280 nan 0.000 0.481 101 S N 0.194 115.720 115.700 -0.290 0.000 2.607 101 S HA 0.602 5.072 4.470 -0.000 0.000 0.273 101 S C -1.432 173.017 174.600 -0.252 0.000 1.148 101 S CA -0.911 57.117 58.200 -0.287 0.000 0.833 101 S CB 2.887 65.955 63.200 -0.220 0.000 1.130 101 S HN 0.188 nan 8.310 nan 0.000 0.470 102 K N 0.387 120.691 120.400 -0.162 0.000 2.571 102 K HA 0.318 4.638 4.320 -0.000 0.000 0.252 102 K C -1.067 175.500 176.600 -0.055 0.000 0.956 102 K CA -0.395 55.842 56.287 -0.082 0.000 0.822 102 K CB 1.409 33.891 32.500 -0.031 0.000 1.286 102 K HN 0.763 nan 8.250 nan 0.000 0.439 103 D N 2.536 122.913 120.400 -0.039 0.000 2.380 103 D HA -0.023 4.617 4.640 -0.000 0.000 0.212 103 D C -0.130 176.155 176.300 -0.025 0.000 1.021 103 D CA 0.386 54.355 54.000 -0.053 0.000 0.884 103 D CB -0.255 40.495 40.800 -0.083 0.000 1.001 103 D HN 0.806 nan 8.370 nan 0.000 0.506 104 N N -0.326 118.381 118.700 0.011 0.000 2.693 104 N HA -0.259 4.480 4.740 -0.000 0.000 0.249 104 N C 0.731 176.252 175.510 0.018 0.000 1.119 104 N CA 0.625 53.695 53.050 0.035 0.000 0.717 104 N CB -1.193 37.315 38.487 0.035 0.000 1.071 104 N HN 0.374 nan 8.380 nan 0.000 0.555 105 S N -0.481 115.211 115.700 -0.013 0.000 2.419 105 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 105 S C 1.505 176.101 174.600 -0.006 0.000 1.019 105 S CA 1.088 59.260 58.200 -0.046 0.000 0.982 105 S CB -0.121 63.015 63.200 -0.107 0.000 0.789 105 S HN 0.480 nan 8.310 nan 0.000 0.490 106 I N 0.974 121.577 120.570 0.055 0.000 2.480 106 I HA 0.005 4.175 4.170 -0.000 0.000 0.251 106 I C 2.988 179.242 176.117 0.227 0.000 1.124 106 I CA 0.610 61.987 61.300 0.130 0.000 1.444 106 I CB -0.228 37.875 38.000 0.172 0.000 1.098 106 I HN 0.183 nan 8.210 nan 0.000 0.428 107 R N 0.955 121.555 120.500 0.167 0.000 2.081 107 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 107 R C 2.313 178.644 176.300 0.051 0.000 1.131 107 R CA 1.427 57.612 56.100 0.141 0.000 0.960 107 R CB -0.274 30.086 30.300 0.100 0.000 0.856 107 R HN 0.291 nan 8.270 nan 0.000 0.436 108 I N -0.196 120.385 120.570 0.019 0.000 2.361 108 I HA -0.159 4.010 4.170 -0.000 0.000 0.251 108 I C 2.308 178.393 176.117 -0.052 0.000 1.133 108 I CA 1.323 62.608 61.300 -0.025 0.000 1.413 108 I CB -0.386 37.592 38.000 -0.036 0.000 1.073 108 I HN 0.327 nan 8.210 nan 0.000 0.424 109 G N -0.722 108.058 108.800 -0.032 0.000 2.598 109 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 109 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 109 G C 1.661 176.502 174.900 -0.098 0.000 1.131 109 G CA 0.763 45.826 45.100 -0.062 0.000 0.785 109 G HN 0.359 nan 8.290 nan 0.000 0.539 110 S N -0.562 115.031 115.700 -0.179 0.000 2.469 110 S HA -0.034 4.436 4.470 -0.000 0.000 0.238 110 S C 1.938 176.354 174.600 -0.308 0.000 0.998 110 S CA 1.880 59.778 58.200 -0.503 0.000 0.957 110 S CB -0.128 62.710 63.200 -0.603 0.000 0.764 110 S HN 0.573 nan 8.310 nan 0.000 0.514 111 K N -1.285 119.006 120.400 -0.181 0.000 2.574 111 K HA 0.234 4.554 4.320 -0.000 0.000 0.215 111 K C 0.831 177.374 176.600 -0.095 0.000 1.485 111 K CA 0.393 56.602 56.287 -0.129 0.000 1.006 111 K CB 0.333 32.770 32.500 -0.106 0.000 1.254 111 K HN 0.262 nan 8.250 nan 0.000 0.580 112 G N 0.459 109.202 108.800 -0.095 0.000 2.522 112 G HA2 0.182 4.142 3.960 -0.000 0.000 0.304 112 G HA3 0.182 4.142 3.960 -0.000 0.000 0.304 112 G C -0.929 173.900 174.900 -0.120 0.000 1.210 112 G CA -0.431 44.620 45.100 -0.081 0.000 0.960 112 G HN 0.152 nan 8.290 nan 0.000 0.497 113 D N 0.686 121.001 120.400 -0.141 0.000 2.563 113 D HA 0.304 4.943 4.640 -0.000 0.000 0.222 113 D C 0.007 176.042 176.300 -0.442 0.000 1.145 113 D CA 0.110 53.941 54.000 -0.280 0.000 1.001 113 D CB 1.052 41.667 40.800 -0.308 0.000 1.049 113 D HN -0.008 nan 8.370 nan 0.000 0.515 114 V N 1.719 121.430 119.914 -0.338 0.000 2.547 114 V HA 0.373 4.493 4.120 -0.000 0.000 0.299 114 V C 0.386 176.297 176.094 -0.304 0.000 1.040 114 V CA -0.893 61.207 62.300 -0.333 0.000 0.913 114 V CB 1.362 33.065 31.823 -0.200 0.000 0.992 114 V HN 0.231 nan 8.190 nan 0.000 0.449 115 F N 2.172 121.988 119.950 -0.223 0.000 2.429 115 F HA 0.319 4.845 4.527 -0.000 0.000 0.348 115 F C 0.548 176.240 175.800 -0.179 0.000 1.109 115 F CA -0.162 57.733 58.000 -0.176 0.000 1.232 115 F CB 1.466 40.382 39.000 -0.140 0.000 1.157 115 F HN 0.321 nan 8.300 nan 0.000 0.564 116 V N 6.894 126.880 119.914 0.119 0.000 2.508 116 V HA 0.408 4.528 4.120 -0.000 0.000 0.281 116 V C -0.202 175.928 176.094 0.061 0.000 1.041 116 V CA -0.143 62.175 62.300 0.032 0.000 1.016 116 V CB 0.115 31.954 31.823 0.025 0.000 0.984 116 V HN 0.622 nan 8.190 nan 0.000 0.478 117 I N 5.034 125.619 120.570 0.024 0.000 3.174 117 I HA 0.815 4.985 4.170 -0.000 0.000 0.313 117 I C -0.907 175.239 176.117 0.048 0.000 1.155 117 I CA -1.269 60.050 61.300 0.032 0.000 0.977 117 I CB 2.412 40.357 38.000 -0.093 0.000 1.248 117 I HN 0.414 nan 8.210 nan 0.000 0.453 118 R N 1.673 122.217 120.500 0.073 0.000 2.808 118 R HA 0.327 4.666 4.340 -0.000 0.000 0.272 118 R C -1.125 175.223 176.300 0.079 0.000 0.995 118 R CA -0.441 55.685 56.100 0.043 0.000 0.917 118 R CB 1.582 31.889 30.300 0.012 0.000 1.217 118 R HN 0.940 nan 8.270 nan 0.000 0.471 119 E N 0.378 120.618 120.200 0.067 0.000 2.332 119 E HA -0.143 4.207 4.350 -0.000 0.000 0.162 119 E C -2.111 174.522 176.600 0.056 0.000 1.637 119 E CA 0.105 56.610 56.400 0.175 0.000 0.654 119 E CB -1.043 28.846 29.700 0.314 0.000 1.072 119 E HN 0.205 nan 8.360 nan 0.000 0.336 120 P HA 0.129 nan 4.420 nan 0.000 0.219 120 P C -0.358 176.471 177.300 -0.785 0.000 1.847 120 P CA -0.479 62.455 63.100 -0.277 0.000 1.059 120 P CB -0.783 30.814 31.700 -0.172 0.000 1.900 121 F N 1.389 120.806 119.950 -0.889 0.000 2.429 121 F HA 0.474 5.001 4.527 -0.000 0.000 0.348 121 F C 0.047 175.500 175.800 -0.578 0.000 1.109 121 F CA -1.198 56.019 58.000 -1.306 0.000 1.232 121 F CB 0.232 38.935 39.000 -0.494 0.000 1.157 121 F HN -0.045 nan 8.300 nan 0.000 0.564 122 I N 2.757 123.004 120.570 -0.539 0.000 2.440 122 I HA 0.362 4.532 4.170 -0.000 0.000 0.294 122 I C 0.107 176.257 176.117 0.056 0.000 0.995 122 I CA -0.273 60.794 61.300 -0.389 0.000 1.306 122 I CB 1.553 38.968 38.000 -0.975 0.000 1.407 122 I HN 0.771 nan 8.210 nan 0.000 0.501 123 S N 4.395 120.265 115.700 0.284 0.000 2.540 123 S HA 0.596 5.066 4.470 -0.000 0.000 0.275 123 S C -1.067 173.929 174.600 0.659 0.000 1.123 123 S CA -0.521 58.042 58.200 0.604 0.000 0.907 123 S CB 1.063 64.784 63.200 0.868 0.000 1.081 123 S HN 0.668 nan 8.310 nan 0.000 0.476 124 c N 2.822 121.743 118.600 0.535 0.000 2.454 124 c HA 0.886 5.456 4.570 -0.000 0.000 0.336 124 c C 1.123 175.294 174.090 0.135 0.000 1.189 124 c CA -0.695 55.860 56.329 0.376 0.000 1.877 124 c CB 0.999 43.682 42.510 0.288 0.000 2.348 124 c HN 0.985 nan 8.230 nan 0.000 0.508 125 S N 0.647 116.316 115.700 -0.052 0.000 2.521 125 S HA 0.314 4.784 4.470 -0.000 0.000 0.278 125 S C 0.560 175.046 174.600 -0.190 0.000 1.140 125 S CA -0.156 57.742 58.200 -0.503 0.000 1.028 125 S CB 0.019 62.624 63.200 -0.991 0.000 1.203 125 S HN 0.923 nan 8.310 nan 0.000 0.491 126 H N 0.067 118.937 119.070 -0.334 0.000 2.568 126 H HA 0.512 5.068 4.556 -0.000 0.000 0.302 126 H C 0.410 175.680 175.328 -0.096 0.000 1.065 126 H CA -0.290 55.680 56.048 -0.130 0.000 1.140 126 H CB -0.657 29.059 29.762 -0.077 0.000 1.474 126 H HN 0.512 nan 8.280 nan 0.000 0.545 127 L N -0.561 120.400 121.223 -0.438 0.000 3.481 127 L HA 0.189 4.529 4.340 -0.000 0.000 0.338 127 L C -0.121 176.666 176.870 -0.138 0.000 1.039 127 L CA 0.082 54.716 54.840 -0.343 0.000 1.313 127 L CB 0.754 42.523 42.059 -0.483 0.000 2.046 127 L HN 0.268 nan 8.230 nan 0.000 0.609 128 E N -1.025 119.131 120.200 -0.074 0.000 2.437 128 E HA 0.502 4.852 4.350 -0.000 0.000 0.280 128 E C -1.602 175.074 176.600 0.125 0.000 1.044 128 E CA -0.872 55.547 56.400 0.031 0.000 0.826 128 E CB 2.046 31.763 29.700 0.029 0.000 1.358 128 E HN -0.100 nan 8.360 nan 0.000 0.459 129 c N 0.760 119.444 118.600 0.141 0.000 2.417 129 c HA 0.677 5.247 4.570 -0.000 0.000 0.324 129 c C -0.352 173.769 174.090 0.051 0.000 1.240 129 c CA -0.563 55.869 56.329 0.172 0.000 1.632 129 c CB 0.471 43.114 42.510 0.222 0.000 2.241 129 c HN 0.565 nan 8.230 nan 0.000 0.499 130 R N 1.056 121.548 120.500 -0.014 0.000 2.803 130 R HA 0.652 4.992 4.340 -0.000 0.000 0.276 130 R C -0.944 175.092 176.300 -0.440 0.000 0.978 130 R CA -0.451 55.454 56.100 -0.324 0.000 0.939 130 R CB 1.832 31.739 30.300 -0.655 0.000 1.179 130 R HN 0.617 nan 8.270 nan 0.000 0.472 131 T N 2.856 117.115 114.554 -0.492 0.000 2.756 131 T HA 0.405 4.755 4.350 -0.000 0.000 0.290 131 T C -0.628 173.705 174.700 -0.613 0.000 0.985 131 T CA -0.281 61.547 62.100 -0.453 0.000 0.955 131 T CB 0.145 68.855 68.868 -0.263 0.000 0.930 131 T HN 0.183 nan 8.240 nan 0.000 0.451 132 F N 3.816 123.313 119.950 -0.754 0.000 2.378 132 F HA 0.764 5.291 4.527 -0.000 0.000 0.325 132 F C 0.152 175.514 175.800 -0.730 0.000 1.097 132 F CA -0.892 56.520 58.000 -0.979 0.000 1.079 132 F CB 0.926 39.024 39.000 -1.503 0.000 1.240 132 F HN 0.583 nan 8.300 nan 0.000 0.519 133 F N -1.224 118.528 119.950 -0.330 0.000 2.817 133 F HA 0.687 5.213 4.527 -0.000 0.000 0.317 133 F C -2.279 173.452 175.800 -0.115 0.000 1.168 133 F CA -1.656 56.222 58.000 -0.203 0.000 0.911 133 F CB 1.011 39.890 39.000 -0.202 0.000 1.337 133 F HN 0.161 nan 8.300 nan 0.000 0.464 134 L N 1.843 123.149 121.223 0.138 0.000 2.322 134 L HA 0.749 5.089 4.340 -0.000 0.000 0.281 134 L C -0.383 176.573 176.870 0.142 0.000 1.014 134 L CA -0.664 54.218 54.840 0.070 0.000 0.815 134 L CB 2.226 44.348 42.059 0.105 0.000 1.247 134 L HN 0.954 nan 8.230 nan 0.000 0.421 135 T N -1.598 112.977 114.554 0.036 0.000 2.924 135 T HA 0.300 4.650 4.350 -0.000 0.000 0.291 135 T C 0.138 174.844 174.700 0.009 0.000 1.045 135 T CA -0.842 61.252 62.100 -0.010 0.000 1.015 135 T CB 2.269 70.960 68.868 -0.296 0.000 1.103 135 T HN 0.402 nan 8.240 nan 0.000 0.496 136 Q N 0.343 120.174 119.800 0.052 0.000 2.247 136 Q HA 0.218 4.558 4.340 -0.000 0.000 0.205 136 Q C 1.380 177.430 176.000 0.085 0.000 0.896 136 Q CA 0.577 56.441 55.803 0.102 0.000 0.950 136 Q CB 0.170 28.982 28.738 0.124 0.000 1.054 136 Q HN 1.283 nan 8.270 nan 0.000 0.482 137 G N 0.703 109.511 108.800 0.013 0.000 2.198 137 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 137 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 137 G C 0.115 175.079 174.900 0.107 0.000 1.025 137 G CA 0.476 45.593 45.100 0.029 0.000 0.769 137 G HN 0.570 nan 8.290 nan 0.000 0.507 138 A N -1.090 121.838 122.820 0.181 0.000 2.485 138 A HA 0.949 5.269 4.320 -0.000 0.000 0.292 138 A C -0.295 177.408 177.584 0.198 0.000 1.147 138 A CA -0.799 51.335 52.037 0.162 0.000 0.750 138 A CB 1.417 20.501 19.000 0.141 0.000 1.331 138 A HN 0.766 nan 8.150 nan 0.000 0.419 139 L N 0.396 121.655 121.223 0.060 0.000 2.319 139 L HA 0.504 4.844 4.340 -0.000 0.000 0.267 139 L C -0.459 176.348 176.870 -0.106 0.000 1.011 139 L CA -0.816 53.993 54.840 -0.052 0.000 0.818 139 L CB 1.568 43.541 42.059 -0.143 0.000 1.316 139 L HN 0.627 nan 8.230 nan 0.000 0.432 140 L N 1.929 123.045 121.223 -0.178 0.000 2.483 140 L HA 0.052 4.392 4.340 -0.000 0.000 0.276 140 L C 0.839 177.592 176.870 -0.195 0.000 1.213 140 L CA 0.223 54.892 54.840 -0.285 0.000 0.843 140 L CB -0.032 41.872 42.059 -0.259 0.000 1.107 140 L HN 0.744 nan 8.230 nan 0.000 0.487 141 N N 1.028 119.596 118.700 -0.220 0.000 2.741 141 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 141 N C -0.797 174.680 175.510 -0.054 0.000 1.115 141 N CA 1.082 54.089 53.050 -0.071 0.000 0.724 141 N CB -0.798 37.656 38.487 -0.056 0.000 1.090 141 N HN 0.766 nan 8.380 nan 0.000 0.558 142 D N -0.484 119.880 120.400 -0.060 0.000 2.780 142 D HA 0.286 4.926 4.640 -0.000 0.000 0.242 142 D C 1.269 177.568 176.300 -0.002 0.000 1.135 142 D CA -0.477 53.518 54.000 -0.008 0.000 0.859 142 D CB 1.023 41.840 40.800 0.029 0.000 1.530 142 D HN 0.140 nan 8.370 nan 0.000 0.493 143 K N 2.316 122.697 120.400 -0.032 0.000 2.127 143 K HA -0.308 4.011 4.320 -0.000 0.000 0.212 143 K C 0.934 177.463 176.600 -0.119 0.000 1.050 143 K CA 1.465 57.694 56.287 -0.097 0.000 0.929 143 K CB -0.446 31.940 32.500 -0.190 0.000 0.715 143 K HN 0.542 nan 8.250 nan 0.000 0.457 144 H N 0.951 120.027 119.070 0.009 0.000 2.568 144 H HA -0.015 4.541 4.556 -0.000 0.000 0.281 144 H C 1.658 177.004 175.328 0.030 0.000 1.028 144 H CA 1.346 57.402 56.048 0.013 0.000 1.199 144 H CB 0.009 29.770 29.762 -0.003 0.000 1.352 144 H HN 0.572 nan 8.280 nan 0.000 0.605 145 S N 0.125 115.888 115.700 0.105 0.000 2.631 145 S HA -0.067 4.403 4.470 -0.000 0.000 0.217 145 S C 1.664 176.355 174.600 0.150 0.000 0.958 145 S CA -0.162 58.095 58.200 0.095 0.000 0.920 145 S CB -0.054 63.127 63.200 -0.030 0.000 0.776 145 S HN 0.225 nan 8.310 nan 0.000 0.517 146 N N 2.567 121.334 118.700 0.111 0.000 2.247 146 N HA -0.149 4.591 4.740 -0.000 0.000 0.189 146 N C 1.612 177.188 175.510 0.111 0.000 1.009 146 N CA 1.498 54.608 53.050 0.102 0.000 0.872 146 N CB -1.161 37.354 38.487 0.048 0.000 0.980 146 N HN 0.775 nan 8.380 nan 0.000 0.436 147 G N -1.127 107.743 108.800 0.118 0.000 2.200 147 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.268 147 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.268 147 G C 0.965 175.902 174.900 0.062 0.000 0.986 147 G CA 1.647 46.810 45.100 0.105 0.000 0.677 147 G HN 0.603 nan 8.290 nan 0.000 0.532 148 T N -1.982 112.603 114.554 0.051 0.000 3.113 148 T HA 0.405 4.755 4.350 -0.000 0.000 0.256 148 T C 1.145 175.861 174.700 0.026 0.000 1.131 148 T CA 0.540 62.657 62.100 0.027 0.000 1.074 148 T CB 0.307 69.186 68.868 0.019 0.000 0.944 148 T HN 0.619 nan 8.240 nan 0.000 0.516 149 V N 3.133 123.074 119.914 0.045 0.000 2.740 149 V HA 0.141 4.261 4.120 -0.000 0.000 0.303 149 V C 0.671 176.777 176.094 0.019 0.000 1.054 149 V CA -1.312 61.016 62.300 0.045 0.000 1.106 149 V CB 0.090 31.967 31.823 0.090 0.000 0.957 149 V HN 0.613 nan 8.190 nan 0.000 0.486 150 K N 3.131 123.525 120.400 -0.009 0.000 2.586 150 K HA -0.045 4.275 4.320 -0.000 0.000 0.280 150 K C 0.421 176.996 176.600 -0.042 0.000 0.972 150 K CA 0.096 56.356 56.287 -0.045 0.000 1.040 150 K CB 0.255 32.702 32.500 -0.089 0.000 0.870 150 K HN 0.588 nan 8.250 nan 0.000 0.497 151 D N 2.109 122.479 120.400 -0.049 0.000 2.133 151 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 151 D C 0.330 176.602 176.300 -0.046 0.000 0.997 151 D CA 1.579 55.565 54.000 -0.022 0.000 0.840 151 D CB 0.066 40.860 40.800 -0.011 0.000 0.947 151 D HN 0.498 nan 8.370 nan 0.000 0.452 152 R N 1.401 121.774 120.500 -0.211 0.000 3.657 152 R HA 0.172 4.512 4.340 -0.000 0.000 0.220 152 R C 0.257 176.370 176.300 -0.311 0.000 1.548 152 R CA -0.248 55.576 56.100 -0.460 0.000 1.465 152 R CB 0.592 30.175 30.300 -1.195 0.000 1.330 152 R HN 0.031 nan 8.270 nan 0.000 0.707 153 S N 0.773 116.431 115.700 -0.070 0.000 2.693 153 S HA 0.388 4.858 4.470 -0.000 0.000 0.276 153 S C -1.520 173.073 174.600 -0.011 0.000 1.192 153 S CA -1.283 56.876 58.200 -0.069 0.000 0.994 153 S CB 1.370 64.555 63.200 -0.025 0.000 1.012 153 S HN 0.231 nan 8.310 nan 0.000 0.550 154 P HA 0.162 nan 4.420 nan 0.000 0.257 154 P C 0.079 177.305 177.300 -0.124 0.000 1.281 154 P CA 0.537 63.571 63.100 -0.111 0.000 0.826 154 P CB -0.403 31.193 31.700 -0.173 0.000 1.237 155 H N -1.557 117.569 119.070 0.094 0.000 2.592 155 H HA 0.223 4.779 4.556 -0.000 0.000 0.265 155 H C 0.904 176.277 175.328 0.074 0.000 0.955 155 H CA -0.467 55.624 56.048 0.072 0.000 1.175 155 H CB 0.107 29.902 29.762 0.055 0.000 1.433 155 H HN -0.090 nan 8.280 nan 0.000 0.537 156 R N 2.664 123.273 120.500 0.181 0.000 2.458 156 R HA 0.036 4.376 4.340 -0.000 0.000 0.303 156 R C -0.405 175.949 176.300 0.090 0.000 1.013 156 R CA 0.399 56.584 56.100 0.142 0.000 1.026 156 R CB 0.076 30.495 30.300 0.198 0.000 0.948 156 R HN 0.302 nan 8.270 nan 0.000 0.417 157 T N 1.550 116.116 114.554 0.020 0.000 2.900 157 T HA 0.413 4.763 4.350 -0.000 0.000 0.295 157 T C -0.851 173.726 174.700 -0.205 0.000 1.044 157 T CA -1.062 61.009 62.100 -0.049 0.000 0.995 157 T CB 1.334 70.259 68.868 0.095 0.000 1.072 157 T HN 0.332 nan 8.240 nan 0.000 0.473 158 L N 3.111 124.140 121.223 -0.324 0.000 2.319 158 L HA 0.660 5.000 4.340 -0.000 0.000 0.280 158 L C -0.553 175.949 176.870 -0.614 0.000 1.099 158 L CA 0.024 54.620 54.840 -0.408 0.000 0.828 158 L CB -0.011 41.852 42.059 -0.326 0.000 1.150 158 L HN 0.798 nan 8.230 nan 0.000 0.442 159 M N 3.350 122.448 119.600 -0.835 0.000 2.719 159 M HA 0.623 5.103 4.480 -0.000 0.000 0.291 159 M C -0.616 174.965 176.300 -1.200 0.000 1.264 159 M CA -0.735 54.012 55.300 -0.921 0.000 0.811 159 M CB 2.489 34.641 32.600 -0.747 0.000 1.756 159 M HN 0.648 nan 8.290 nan 0.000 0.464 160 S N 0.324 115.535 115.700 -0.815 0.000 2.541 160 S HA 0.872 5.342 4.470 -0.000 0.000 0.271 160 S C -0.984 173.396 174.600 -0.367 0.000 1.133 160 S CA -0.797 56.917 58.200 -0.810 0.000 0.876 160 S CB 1.676 64.041 63.200 -1.392 0.000 1.105 160 S HN 1.081 nan 8.310 nan 0.000 0.470 161 C N -0.369 118.787 119.300 -0.240 0.000 3.173 161 C HA 0.876 5.336 4.460 -0.000 0.000 0.310 161 C C -3.036 171.838 174.990 -0.193 0.000 1.306 161 C CA -2.063 56.879 59.018 -0.128 0.000 1.426 161 C CB 1.238 28.988 27.740 0.017 0.000 1.800 161 C HN 0.734 nan 8.230 nan 0.000 0.470 162 P HA 0.155 nan 4.420 nan 0.000 0.268 162 P C 0.158 177.376 177.300 -0.136 0.000 1.204 162 P CA 0.568 63.585 63.100 -0.138 0.000 0.768 162 P CB 0.375 32.019 31.700 -0.094 0.000 0.842 163 V N 2.872 122.705 119.914 -0.135 0.000 2.790 163 V HA 0.081 4.201 4.120 -0.000 0.000 0.304 163 V C 1.946 177.957 176.094 -0.138 0.000 1.142 163 V CA 2.028 64.249 62.300 -0.131 0.000 1.282 163 V CB -0.888 30.890 31.823 -0.074 0.000 0.877 163 V HN 1.089 nan 8.190 nan 0.000 0.504 164 G N 3.192 111.908 108.800 -0.140 0.000 2.217 164 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.246 164 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.246 164 G C 0.038 174.871 174.900 -0.112 0.000 0.990 164 G CA 0.254 45.272 45.100 -0.136 0.000 0.627 164 G HN 0.713 nan 8.290 nan 0.000 0.522 165 E N 0.830 120.963 120.200 -0.111 0.000 2.249 165 E HA 0.593 4.943 4.350 -0.000 0.000 0.280 165 E C 0.601 177.131 176.600 -0.117 0.000 1.016 165 E CA -0.082 56.258 56.400 -0.099 0.000 0.830 165 E CB 1.343 30.991 29.700 -0.087 0.000 1.081 165 E HN 0.623 nan 8.360 nan 0.000 0.395 166 A N 5.300 128.054 122.820 -0.110 0.000 2.491 166 A HA 0.171 4.490 4.320 -0.000 0.000 0.261 166 A C -2.056 175.422 177.584 -0.178 0.000 1.101 166 A CA -1.113 50.840 52.037 -0.139 0.000 0.772 166 A CB -0.316 18.617 19.000 -0.112 0.000 1.043 166 A HN 0.343 nan 8.150 nan 0.000 0.501 167 P HA 0.121 nan 4.420 nan 0.000 0.271 167 P C 0.114 177.293 177.300 -0.201 0.000 1.233 167 P CA 0.429 63.365 63.100 -0.274 0.000 0.764 167 P CB 1.380 32.566 31.700 -0.857 0.000 0.825 168 S N 3.081 118.668 115.700 -0.189 0.000 4.143 168 S HA 0.157 4.627 4.470 -0.000 0.000 0.215 168 S C 0.961 175.263 174.600 -0.496 0.000 1.163 168 S CA -0.145 57.695 58.200 -0.599 0.000 1.458 168 S CB -0.553 62.309 63.200 -0.565 0.000 1.636 168 S HN 0.371 nan 8.310 nan 0.000 0.716 169 Y N 2.845 123.082 120.300 -0.105 0.000 4.014 169 Y HA -0.326 4.224 4.550 -0.000 0.000 0.369 169 Y C 1.383 177.264 175.900 -0.032 0.000 0.907 169 Y CA 1.500 59.562 58.100 -0.063 0.000 2.612 169 Y CB -1.545 36.864 38.460 -0.085 0.000 1.066 169 Y HN 0.811 nan 8.280 nan 0.000 0.547 170 N N -1.410 117.331 118.700 0.068 0.000 2.143 170 N HA 0.126 4.866 4.740 -0.000 0.000 0.222 170 N C -0.633 174.903 175.510 0.043 0.000 1.264 170 N CA 0.242 53.318 53.050 0.043 0.000 0.897 170 N CB 0.509 39.001 38.487 0.009 0.000 1.092 170 N HN 0.024 nan 8.380 nan 0.000 0.516 171 S N 0.935 116.694 115.700 0.100 0.000 2.437 171 S HA 0.330 4.799 4.470 -0.000 0.000 0.305 171 S C -0.263 174.391 174.600 0.090 0.000 1.109 171 S CA -0.757 57.530 58.200 0.145 0.000 1.099 171 S CB 2.110 65.548 63.200 0.398 0.000 1.004 171 S HN 0.225 nan 8.310 nan 0.000 0.475 172 R N 2.132 122.619 120.500 -0.022 0.000 2.490 172 R HA 0.285 4.625 4.340 -0.000 0.000 0.278 172 R C -0.956 175.319 176.300 -0.042 0.000 1.069 172 R CA -0.408 55.672 56.100 -0.033 0.000 1.080 172 R CB 0.431 30.660 30.300 -0.119 0.000 1.030 172 R HN 0.573 nan 8.270 nan 0.000 0.491 173 F N 3.806 123.699 119.950 -0.096 0.000 2.424 173 F HA 0.177 4.704 4.527 -0.000 0.000 0.356 173 F C 0.593 176.322 175.800 -0.119 0.000 1.110 173 F CA -0.113 57.820 58.000 -0.112 0.000 1.161 173 F CB 1.100 40.061 39.000 -0.066 0.000 1.115 173 F HN 0.631 nan 8.300 nan 0.000 0.507 174 E N 2.640 122.274 120.200 -0.945 0.000 2.175 174 E HA 0.161 4.511 4.350 -0.000 0.000 0.195 174 E C -0.057 176.066 176.600 -0.795 0.000 0.934 174 E CA 0.403 56.421 56.400 -0.637 0.000 0.870 174 E CB 0.525 29.995 29.700 -0.382 0.000 0.838 174 E HN 0.502 nan 8.360 nan 0.000 0.474 175 S N -0.781 114.240 115.700 -1.132 0.000 2.611 175 S HA 0.281 4.751 4.470 -0.000 0.000 0.270 175 S C -1.577 172.771 174.600 -0.420 0.000 1.131 175 S CA -0.653 57.177 58.200 -0.617 0.000 0.826 175 S CB 1.276 64.293 63.200 -0.305 0.000 1.095 175 S HN -0.109 nan 8.310 nan 0.000 0.461 176 V N 2.341 122.231 119.914 -0.041 0.000 2.432 176 V HA 0.813 4.933 4.120 -0.000 0.000 0.271 176 V C 0.440 176.479 176.094 -0.091 0.000 1.046 176 V CA 0.458 62.778 62.300 0.033 0.000 0.945 176 V CB 0.068 31.962 31.823 0.118 0.000 0.992 176 V HN 1.092 nan 8.190 nan 0.000 0.471 177 A N 5.119 127.877 122.820 -0.104 0.000 2.599 177 A HA 0.649 4.969 4.320 -0.000 0.000 0.294 177 A C -0.465 177.068 177.584 -0.085 0.000 1.055 177 A CA -0.693 51.208 52.037 -0.227 0.000 0.683 177 A CB 1.152 20.005 19.000 -0.245 0.000 1.278 177 A HN 0.959 nan 8.150 nan 0.000 0.412 178 W N 0.797 122.094 121.300 -0.005 0.000 2.862 178 W HA 0.564 5.224 4.660 -0.000 0.000 0.376 178 W C -0.002 176.533 176.519 0.027 0.000 1.028 178 W CA 0.324 57.675 57.345 0.010 0.000 1.757 178 W CB 0.162 29.626 29.460 0.007 0.000 1.128 178 W HN 0.938 nan 8.180 nan 0.000 0.566 179 S N 0.811 116.510 115.700 -0.001 0.000 2.542 179 S HA 0.714 5.184 4.470 -0.000 0.000 0.276 179 S C -1.124 173.418 174.600 -0.095 0.000 1.148 179 S CA 0.180 58.401 58.200 0.034 0.000 0.886 179 S CB 1.304 64.526 63.200 0.037 0.000 1.109 179 S HN 0.476 nan 8.310 nan 0.000 0.458 180 A N 1.899 124.702 122.820 -0.029 0.000 2.540 180 A HA 0.932 5.252 4.320 -0.000 0.000 0.291 180 A C -0.696 176.808 177.584 -0.132 0.000 1.083 180 A CA -0.070 51.924 52.037 -0.073 0.000 0.650 180 A CB 0.805 19.784 19.000 -0.036 0.000 1.292 180 A HN 2.078 nan 8.150 nan 0.000 0.435 181 S N -0.943 114.660 115.700 -0.161 0.000 2.615 181 S HA 1.009 5.479 4.470 -0.000 0.000 0.269 181 S C -0.620 173.891 174.600 -0.148 0.000 1.161 181 S CA 0.081 58.099 58.200 -0.305 0.000 0.817 181 S CB 1.170 64.237 63.200 -0.222 0.000 1.131 181 S HN 2.691 nan 8.310 nan 0.000 0.467 182 A N -0.240 122.506 122.820 -0.124 0.000 2.610 182 A HA 0.929 5.249 4.320 -0.000 0.000 0.291 182 A C -0.672 176.991 177.584 0.133 0.000 1.086 182 A CA -0.336 51.623 52.037 -0.130 0.000 0.677 182 A CB 0.684 19.187 19.000 -0.828 0.000 1.278 182 A HN 2.556 nan 8.150 nan 0.000 0.414 183 c N -0.836 117.956 118.600 0.320 0.000 3.289 183 c HA 0.742 5.312 4.570 -0.000 0.000 0.354 183 c C -0.910 173.301 174.090 0.202 0.000 1.201 183 c CA -0.789 55.749 56.329 0.348 0.000 1.199 183 c CB 0.242 42.888 42.510 0.227 0.000 1.511 183 c HN 1.318 nan 8.230 nan 0.000 0.506 184 H N 0.796 119.733 119.070 -0.221 0.000 2.457 184 H HA 0.566 5.122 4.556 -0.000 0.000 0.335 184 H C 0.590 175.808 175.328 -0.183 0.000 1.115 184 H CA 0.271 56.015 56.048 -0.506 0.000 1.219 184 H CB 1.487 30.608 29.762 -1.068 0.000 1.471 184 H HN 0.834 nan 8.280 nan 0.000 0.491 185 D N 2.324 122.583 120.400 -0.235 0.000 2.349 185 D HA 0.139 4.779 4.640 -0.000 0.000 0.214 185 D C 1.471 177.765 176.300 -0.009 0.000 1.063 185 D CA 0.567 54.538 54.000 -0.048 0.000 0.847 185 D CB 0.369 41.162 40.800 -0.011 0.000 0.933 185 D HN 0.840 nan 8.370 nan 0.000 0.513 186 G N -0.870 108.001 108.800 0.118 0.000 2.232 186 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.226 186 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.226 186 G C 1.147 175.942 174.900 -0.176 0.000 0.996 186 G CA 0.526 45.620 45.100 -0.010 0.000 0.626 186 G HN 0.401 nan 8.290 nan 0.000 0.509 187 T N -0.310 114.144 114.554 -0.168 0.000 3.151 187 T HA 0.518 4.868 4.350 -0.000 0.000 0.239 187 T C 0.829 175.375 174.700 -0.257 0.000 0.979 187 T CA 1.415 63.434 62.100 -0.135 0.000 1.194 187 T CB 0.379 69.218 68.868 -0.048 0.000 0.982 187 T HN 0.564 nan 8.240 nan 0.000 0.428 188 S N -0.760 114.507 115.700 -0.721 0.000 2.607 188 S HA 0.525 4.995 4.470 -0.000 0.000 0.273 188 S C -1.961 172.024 174.600 -1.024 0.000 1.148 188 S CA -1.028 56.676 58.200 -0.827 0.000 0.833 188 S CB 1.437 64.076 63.200 -0.934 0.000 1.130 188 S HN 0.387 nan 8.310 nan 0.000 0.470 189 W N 1.692 122.702 121.300 -0.483 0.000 2.272 189 W HA 0.578 5.237 4.660 -0.000 0.000 0.318 189 W C -0.350 176.067 176.519 -0.170 0.000 1.255 189 W CA -0.244 56.999 57.345 -0.169 0.000 1.200 189 W CB 0.732 30.242 29.460 0.083 0.000 1.170 189 W HN 0.406 nan 8.180 nan 0.000 0.549 190 L N 4.821 126.199 121.223 0.258 0.000 2.296 190 L HA 0.666 5.006 4.340 -0.000 0.000 0.286 190 L C -0.031 176.934 176.870 0.157 0.000 1.023 190 L CA -0.189 54.779 54.840 0.214 0.000 0.812 190 L CB 1.048 43.220 42.059 0.189 0.000 1.223 190 L HN 0.378 nan 8.230 nan 0.000 0.421 191 T N 3.055 117.650 114.554 0.068 0.000 2.861 191 T HA 0.698 5.048 4.350 -0.000 0.000 0.287 191 T C -0.335 174.325 174.700 -0.066 0.000 1.003 191 T CA -0.495 61.579 62.100 -0.042 0.000 0.977 191 T CB 1.107 69.922 68.868 -0.089 0.000 0.996 191 T HN 0.500 nan 8.240 nan 0.000 0.448 192 I N 2.474 122.981 120.570 -0.105 0.000 2.420 192 I HA 0.553 4.723 4.170 -0.000 0.000 0.282 192 I C 0.429 176.452 176.117 -0.157 0.000 1.019 192 I CA -0.802 60.422 61.300 -0.127 0.000 1.130 192 I CB 1.512 39.435 38.000 -0.128 0.000 1.262 192 I HN 0.980 nan 8.210 nan 0.000 0.454 193 G N 7.325 116.019 108.800 -0.176 0.000 2.557 193 G HA2 0.679 4.639 3.960 -0.000 0.000 0.310 193 G HA3 0.679 4.639 3.960 -0.000 0.000 0.310 193 G C -0.707 174.021 174.900 -0.288 0.000 1.328 193 G CA -0.411 44.556 45.100 -0.222 0.000 0.945 193 G HN 0.464 nan 8.290 nan 0.000 0.494 194 I N 2.118 122.434 120.570 -0.423 0.000 2.325 194 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 194 I C 0.529 176.035 176.117 -1.019 0.000 1.019 194 I CA -0.002 60.916 61.300 -0.637 0.000 1.302 194 I CB 1.558 39.107 38.000 -0.751 0.000 1.401 194 I HN 0.412 nan 8.210 nan 0.000 0.485 195 S N 3.639 118.936 115.700 -0.671 0.000 2.697 195 S HA 0.972 5.442 4.470 -0.000 0.000 0.289 195 S C -0.311 174.286 174.600 -0.006 0.000 1.149 195 S CA 0.192 58.099 58.200 -0.488 0.000 0.850 195 S CB 1.877 64.972 63.200 -0.176 0.000 1.151 195 S HN 1.091 nan 8.310 nan 0.000 0.491 196 G N 1.640 110.647 108.800 0.344 0.000 2.373 196 G HA2 0.050 4.009 3.960 -0.000 0.000 0.634 196 G HA3 0.050 4.009 3.960 -0.000 0.000 0.634 196 G C -3.298 171.798 174.900 0.326 0.000 1.267 196 G CA -0.499 44.760 45.100 0.265 0.000 1.008 196 G HN 0.678 nan 8.290 nan 0.000 0.497 197 P HA 0.264 nan 4.420 nan 0.000 0.270 197 P C -0.128 177.215 177.300 0.072 0.000 1.223 197 P CA 0.095 63.238 63.100 0.071 0.000 0.785 197 P CB 0.642 32.365 31.700 0.039 0.000 0.923 198 D N 0.871 121.252 120.400 -0.032 0.000 2.219 198 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 198 D C 1.332 177.624 176.300 -0.014 0.000 0.970 198 D CA 1.306 55.272 54.000 -0.057 0.000 0.851 198 D CB -0.567 40.153 40.800 -0.133 0.000 0.943 198 D HN 0.519 nan 8.370 nan 0.000 0.488 199 N N -0.220 118.472 118.700 -0.012 0.000 2.461 199 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 199 N C 0.834 176.345 175.510 0.003 0.000 1.134 199 N CA 0.438 53.480 53.050 -0.014 0.000 0.878 199 N CB 0.336 38.814 38.487 -0.016 0.000 0.972 199 N HN 0.069 nan 8.380 nan 0.000 0.456 200 G N -1.413 107.405 108.800 0.030 0.000 5.609 200 G HA2 0.467 4.427 3.960 -0.000 0.000 0.195 200 G HA3 0.467 4.427 3.960 -0.000 0.000 0.195 200 G C -0.308 174.630 174.900 0.063 0.000 0.749 200 G CA -0.103 45.019 45.100 0.036 0.000 0.662 200 G HN 0.486 nan 8.290 nan 0.000 0.288 201 A N -0.066 122.817 122.820 0.105 0.000 2.520 201 A HA 0.632 4.952 4.320 -0.000 0.000 0.235 201 A C 0.212 177.813 177.584 0.027 0.000 1.065 201 A CA 0.225 52.351 52.037 0.148 0.000 0.764 201 A CB 1.291 20.483 19.000 0.320 0.000 1.002 201 A HN 1.443 nan 8.150 nan 0.000 0.502 202 V N 1.322 121.219 119.914 -0.029 0.000 2.709 202 V HA 0.713 4.833 4.120 -0.000 0.000 0.308 202 V C 0.060 176.074 176.094 -0.134 0.000 1.062 202 V CA -0.043 62.224 62.300 -0.054 0.000 0.901 202 V CB 1.639 33.448 31.823 -0.023 0.000 1.003 202 V HN 1.607 nan 8.190 nan 0.000 0.425 203 A N 6.049 128.786 122.820 -0.137 0.000 2.260 203 A HA 0.736 5.056 4.320 -0.000 0.000 0.308 203 A C -0.529 176.969 177.584 -0.144 0.000 1.254 203 A CA -0.418 51.507 52.037 -0.186 0.000 0.874 203 A CB 1.045 19.921 19.000 -0.207 0.000 1.153 203 A HN 1.090 nan 8.150 nan 0.000 0.527 204 V N 4.889 124.720 119.914 -0.139 0.000 2.364 204 V HA 0.242 4.362 4.120 -0.000 0.000 0.272 204 V C -0.017 176.021 176.094 -0.093 0.000 1.036 204 V CA -0.099 62.144 62.300 -0.094 0.000 0.880 204 V CB 0.809 32.589 31.823 -0.071 0.000 0.991 204 V HN 0.721 nan 8.190 nan 0.000 0.460 205 L N 5.973 127.151 121.223 -0.074 0.000 2.289 205 L HA 0.590 4.930 4.340 -0.000 0.000 0.285 205 L C 0.023 176.889 176.870 -0.008 0.000 1.049 205 L CA -0.545 54.262 54.840 -0.056 0.000 0.804 205 L CB 1.101 43.120 42.059 -0.066 0.000 1.195 205 L HN 0.522 nan 8.230 nan 0.000 0.428 206 K N 2.892 123.303 120.400 0.019 0.000 2.259 206 K HA 0.450 4.770 4.320 -0.000 0.000 0.252 206 K C -1.555 175.135 176.600 0.150 0.000 0.936 206 K CA -0.698 55.627 56.287 0.064 0.000 0.810 206 K CB 2.614 35.133 32.500 0.031 0.000 1.143 206 K HN 0.390 nan 8.250 nan 0.000 0.427 207 Y N 3.092 123.399 120.300 0.011 0.000 2.332 207 Y HA 0.116 4.666 4.550 -0.000 0.000 0.326 207 Y C 0.215 176.139 175.900 0.041 0.000 0.978 207 Y CA -0.403 57.707 58.100 0.018 0.000 1.205 207 Y CB 0.833 39.287 38.460 -0.010 0.000 1.131 207 Y HN 0.786 nan 8.280 nan 0.000 0.462 208 N N 4.189 122.760 118.700 -0.215 0.000 2.747 208 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 208 N C 0.688 176.206 175.510 0.013 0.000 1.107 208 N CA 1.676 54.657 53.050 -0.115 0.000 0.707 208 N CB -1.132 37.246 38.487 -0.181 0.000 1.054 208 N HN 1.412 nan 8.380 nan 0.000 0.555 209 G N -0.723 108.101 108.800 0.040 0.000 2.179 209 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 209 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 209 G C 0.205 175.142 174.900 0.060 0.000 0.977 209 G CA 0.596 45.726 45.100 0.050 0.000 0.641 209 G HN 0.996 nan 8.290 nan 0.000 0.533 210 I N -1.146 119.466 120.570 0.070 0.000 2.404 210 I HA 0.723 4.893 4.170 -0.000 0.000 0.293 210 I C 0.578 176.737 176.117 0.070 0.000 0.992 210 I CA -1.685 59.656 61.300 0.068 0.000 1.149 210 I CB 1.267 39.309 38.000 0.070 0.000 1.315 210 I HN 0.010 nan 8.210 nan 0.000 0.446 211 I N 5.625 126.225 120.570 0.049 0.000 2.662 211 I HA 0.002 4.172 4.170 -0.000 0.000 0.285 211 I C 1.277 177.413 176.117 0.032 0.000 1.161 211 I CA 0.341 61.661 61.300 0.034 0.000 1.415 211 I CB 0.875 38.887 38.000 0.021 0.000 1.385 211 I HN 0.895 nan 8.210 nan 0.000 0.552 212 T N -0.135 114.436 114.554 0.028 0.000 3.001 212 T HA 0.213 4.563 4.350 -0.000 0.000 0.251 212 T C 0.236 174.924 174.700 -0.020 0.000 1.040 212 T CA -0.130 61.975 62.100 0.008 0.000 0.985 212 T CB 0.422 69.294 68.868 0.006 0.000 1.011 212 T HN 0.598 nan 8.240 nan 0.000 0.509 213 D N -1.034 119.353 120.400 -0.023 0.000 2.738 213 D HA 0.494 5.134 4.640 -0.000 0.000 0.308 213 D C -1.701 174.575 176.300 -0.040 0.000 1.311 213 D CA -0.172 53.807 54.000 -0.034 0.000 0.799 213 D CB 1.754 42.525 40.800 -0.048 0.000 1.332 213 D HN 0.003 nan 8.370 nan 0.000 0.441 214 T N 0.511 115.041 114.554 -0.041 0.000 2.923 214 T HA 0.663 5.013 4.350 -0.000 0.000 0.311 214 T C -0.993 173.683 174.700 -0.041 0.000 1.183 214 T CA -0.405 61.668 62.100 -0.045 0.000 1.020 214 T CB 0.960 69.814 68.868 -0.023 0.000 1.165 214 T HN 0.253 nan 8.240 nan 0.000 0.482 215 I N 2.779 123.317 120.570 -0.054 0.000 2.503 215 I HA 0.364 4.534 4.170 -0.000 0.000 0.282 215 I C -0.289 175.852 176.117 0.040 0.000 1.059 215 I CA -0.847 60.445 61.300 -0.015 0.000 1.081 215 I CB 1.834 39.749 38.000 -0.142 0.000 1.210 215 I HN 0.280 nan 8.210 nan 0.000 0.450 216 K N 2.993 123.450 120.400 0.094 0.000 2.185 216 K HA 0.290 4.610 4.320 -0.000 0.000 0.271 216 K C 0.381 177.088 176.600 0.179 0.000 1.013 216 K CA -0.194 56.153 56.287 0.100 0.000 0.943 216 K CB 1.162 33.716 32.500 0.091 0.000 0.998 216 K HN 0.509 nan 8.250 nan 0.000 0.468 217 S N 1.893 117.644 115.700 0.085 0.000 2.546 217 S HA -0.026 4.444 4.470 -0.000 0.000 0.290 217 S C 0.339 174.988 174.600 0.081 0.000 1.290 217 S CA -0.171 58.018 58.200 -0.018 0.000 1.069 217 S CB 0.163 63.315 63.200 -0.079 0.000 0.846 217 S HN 0.691 nan 8.310 nan 0.000 0.495 218 W N 5.181 126.503 121.300 0.038 0.000 3.103 218 W HA 0.523 5.183 4.660 -0.000 0.000 0.325 218 W C 1.025 177.548 176.519 0.006 0.000 1.170 218 W CA -0.572 56.786 57.345 0.021 0.000 1.712 218 W CB 0.240 29.713 29.460 0.022 0.000 1.068 218 W HN 0.464 nan 8.180 nan 0.000 0.592 219 R N 1.345 121.629 120.500 -0.361 0.000 2.535 219 R HA 0.087 4.427 4.340 -0.000 0.000 0.323 219 R C 0.180 176.388 176.300 -0.153 0.000 0.979 219 R CA -0.072 55.903 56.100 -0.209 0.000 1.120 219 R CB -1.048 29.077 30.300 -0.291 0.000 1.306 219 R HN 0.213 nan 8.270 nan 0.000 0.540 220 N N 1.906 120.524 118.700 -0.136 0.000 2.701 220 N HA -0.234 4.506 4.740 -0.000 0.000 0.250 220 N C -0.464 174.992 175.510 -0.090 0.000 1.046 220 N CA 0.851 53.852 53.050 -0.081 0.000 0.733 220 N CB -1.014 37.450 38.487 -0.038 0.000 0.973 220 N HN 0.225 nan 8.380 nan 0.000 0.541 221 N N 0.640 119.260 118.700 -0.134 0.000 2.725 221 N HA 0.277 5.017 4.740 -0.000 0.000 0.248 221 N C -0.123 175.332 175.510 -0.092 0.000 1.402 221 N CA -0.417 52.570 53.050 -0.104 0.000 0.766 221 N CB -0.081 38.341 38.487 -0.108 0.000 1.223 221 N HN 0.263 nan 8.380 nan 0.000 0.515 222 I N 0.786 121.331 120.570 -0.042 0.000 7.004 222 I HA -0.321 3.848 4.170 -0.000 0.000 0.126 222 I C -0.129 176.047 176.117 0.098 0.000 1.826 222 I CA -0.022 61.301 61.300 0.038 0.000 2.066 222 I CB -0.886 37.105 38.000 -0.016 0.000 3.565 222 I HN 0.340 nan 8.210 nan 0.000 0.178 223 L N 5.503 126.763 121.223 0.062 0.000 2.578 223 L HA 0.164 4.504 4.340 -0.000 0.000 0.279 223 L C 0.898 177.833 176.870 0.109 0.000 1.227 223 L CA 1.018 55.831 54.840 -0.044 0.000 0.900 223 L CB 0.178 42.173 42.059 -0.107 0.000 1.144 223 L HN 0.537 nan 8.230 nan 0.000 0.496 224 R N 2.471 123.012 120.500 0.067 0.000 2.764 224 R HA 0.773 5.113 4.340 -0.000 0.000 0.270 224 R C -0.947 175.408 176.300 0.092 0.000 1.014 224 R CA -0.749 55.425 56.100 0.124 0.000 0.904 224 R CB 1.545 31.981 30.300 0.226 0.000 1.236 224 R HN 0.552 nan 8.270 nan 0.000 0.466 225 T N -1.482 113.119 114.554 0.078 0.000 2.618 225 T HA 0.154 4.504 4.350 -0.000 0.000 0.286 225 T C 0.559 175.301 174.700 0.070 0.000 1.027 225 T CA -0.443 61.698 62.100 0.068 0.000 1.063 225 T CB 1.563 70.433 68.868 0.002 0.000 1.440 225 T HN 0.660 nan 8.240 nan 0.000 0.505 226 Q N 0.242 120.064 119.800 0.036 0.000 2.133 226 Q HA -0.149 4.191 4.340 -0.000 0.000 0.208 226 Q C -0.078 175.936 176.000 0.024 0.000 0.991 226 Q CA 1.856 57.674 55.803 0.026 0.000 0.867 226 Q CB -0.106 28.613 28.738 -0.032 0.000 0.911 226 Q HN 0.641 nan 8.270 nan 0.000 0.417 227 E N -0.540 119.625 120.200 -0.059 0.000 3.070 227 E HA -0.161 4.189 4.350 -0.000 0.000 0.285 227 E C -0.398 176.082 176.600 -0.200 0.000 0.972 227 E CA 1.215 57.628 56.400 0.022 0.000 0.915 227 E CB -2.114 27.771 29.700 0.309 0.000 1.466 227 E HN 0.504 nan 8.360 nan 0.000 0.432 228 S N -1.938 113.354 115.700 -0.679 0.000 2.661 228 S HA 0.394 4.864 4.470 -0.000 0.000 0.268 228 S C -0.459 173.656 174.600 -0.808 0.000 1.162 228 S CA -0.804 56.864 58.200 -0.886 0.000 0.817 228 S CB 2.202 65.547 63.200 0.242 0.000 1.141 228 S HN 0.144 nan 8.310 nan 0.000 0.477 229 E N 0.485 120.597 120.200 -0.147 0.000 2.529 229 E HA 0.203 4.553 4.350 -0.000 0.000 0.259 229 E C 0.464 177.149 176.600 0.140 0.000 0.966 229 E CA -0.303 56.200 56.400 0.173 0.000 0.937 229 E CB -0.040 29.941 29.700 0.467 0.000 0.923 229 E HN 0.715 nan 8.360 nan 0.000 0.468 230 c N 2.751 121.430 118.600 0.131 0.000 2.644 230 c HA 0.842 5.412 4.570 -0.000 0.000 0.330 230 c C 0.442 174.670 174.090 0.230 0.000 1.606 230 c CA -0.610 55.820 56.329 0.170 0.000 2.115 230 c CB -0.019 42.578 42.510 0.146 0.000 1.990 230 c HN 0.765 nan 8.230 nan 0.000 0.581 231 A N -0.856 122.121 122.820 0.262 0.000 2.356 231 A HA 0.682 5.001 4.320 -0.000 0.000 0.310 231 A C -0.775 177.013 177.584 0.341 0.000 1.075 231 A CA -0.294 51.904 52.037 0.269 0.000 0.746 231 A CB 0.491 19.607 19.000 0.194 0.000 1.221 231 A HN 1.030 nan 8.150 nan 0.000 0.443 232 c N 1.675 120.432 118.600 0.262 0.000 2.382 232 c HA 0.839 5.409 4.570 -0.000 0.000 0.327 232 c C -0.021 174.212 174.090 0.239 0.000 1.250 232 c CA -0.507 55.966 56.329 0.240 0.000 1.707 232 c CB 0.705 43.297 42.510 0.136 0.000 2.272 232 c HN 0.679 nan 8.230 nan 0.000 0.506 233 V N 2.480 122.570 119.914 0.294 0.000 2.932 233 V HA 0.457 4.577 4.120 -0.000 0.000 0.307 233 V C 0.237 176.442 176.094 0.185 0.000 1.147 233 V CA -0.599 61.835 62.300 0.222 0.000 0.951 233 V CB 1.884 33.841 31.823 0.224 0.000 1.031 233 V HN 0.932 nan 8.190 nan 0.000 0.426 234 N N 2.435 121.200 118.700 0.110 0.000 2.666 234 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 234 N C 0.995 176.540 175.510 0.060 0.000 1.063 234 N CA 2.275 55.370 53.050 0.075 0.000 0.750 234 N CB -0.877 37.656 38.487 0.077 0.000 0.992 234 N HN 1.839 nan 8.380 nan 0.000 0.542 235 G N -3.687 105.143 108.800 0.050 0.000 2.218 235 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 235 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 235 G C -0.095 174.782 174.900 -0.039 0.000 0.994 235 G CA 0.201 45.304 45.100 0.004 0.000 0.637 235 G HN 0.682 nan 8.290 nan 0.000 0.505 236 S N -0.317 115.362 115.700 -0.035 0.000 2.501 236 S HA 0.689 5.159 4.470 -0.000 0.000 0.301 236 S C -0.051 174.399 174.600 -0.250 0.000 1.096 236 S CA -0.345 57.723 58.200 -0.221 0.000 1.063 236 S CB 2.215 65.196 63.200 -0.365 0.000 1.042 236 S HN 0.624 nan 8.310 nan 0.000 0.494 237 c N 2.780 121.176 118.600 -0.339 0.000 2.382 237 c HA 0.718 5.288 4.570 -0.000 0.000 0.327 237 c C -0.719 173.186 174.090 -0.309 0.000 1.250 237 c CA -0.872 55.360 56.329 -0.160 0.000 1.707 237 c CB -0.410 42.097 42.510 -0.005 0.000 2.272 237 c HN 0.803 nan 8.230 nan 0.000 0.506 238 F N 1.139 121.184 119.950 0.159 0.000 2.495 238 F HA 0.677 5.204 4.527 -0.000 0.000 0.327 238 F C 0.544 176.482 175.800 0.231 0.000 1.103 238 F CA -0.321 57.820 58.000 0.235 0.000 0.949 238 F CB 1.884 41.122 39.000 0.398 0.000 1.142 238 F HN 0.511 nan 8.300 nan 0.000 0.457 239 T N 1.890 116.684 114.554 0.401 0.000 2.864 239 T HA 0.774 5.124 4.350 -0.000 0.000 0.299 239 T C -1.725 173.177 174.700 0.337 0.000 1.166 239 T CA -0.544 61.737 62.100 0.302 0.000 1.007 239 T CB 1.541 70.505 68.868 0.160 0.000 1.219 239 T HN 0.323 nan 8.240 nan 0.000 0.506 240 V N 4.048 124.123 119.914 0.269 0.000 2.540 240 V HA 0.637 4.757 4.120 -0.000 0.000 0.302 240 V C -0.279 175.973 176.094 0.262 0.000 1.035 240 V CA -0.707 61.740 62.300 0.245 0.000 0.873 240 V CB 1.578 33.495 31.823 0.158 0.000 0.992 240 V HN 0.854 nan 8.190 nan 0.000 0.428 241 M N 2.599 122.431 119.600 0.385 0.000 2.644 241 M HA 0.634 5.114 4.480 -0.000 0.000 0.304 241 M C -0.630 175.944 176.300 0.457 0.000 1.215 241 M CA -0.405 55.137 55.300 0.403 0.000 0.871 241 M CB 2.777 35.687 32.600 0.516 0.000 1.740 241 M HN 0.577 nan 8.290 nan 0.000 0.464 242 T N 0.418 115.150 114.554 0.296 0.000 2.900 242 T HA 0.519 4.869 4.350 -0.000 0.000 0.295 242 T C -1.655 173.006 174.700 -0.065 0.000 1.044 242 T CA -0.550 61.691 62.100 0.235 0.000 0.995 242 T CB 1.803 70.816 68.868 0.241 0.000 1.072 242 T HN 0.584 nan 8.240 nan 0.000 0.473 243 D N 0.394 120.662 120.400 -0.220 0.000 2.891 243 D HA 0.600 5.240 4.640 -0.000 0.000 0.224 243 D C -0.207 175.910 176.300 -0.304 0.000 1.321 243 D CA 0.363 54.063 54.000 -0.500 0.000 0.929 243 D CB 1.437 41.394 40.800 -1.405 0.000 1.551 243 D HN 0.991 nan 8.370 nan 0.000 0.574 244 G N 2.828 111.517 108.800 -0.184 0.000 2.361 244 G HA2 0.139 4.099 3.960 -0.000 0.000 0.331 244 G HA3 0.139 4.099 3.960 -0.000 0.000 0.331 244 G C -3.069 171.805 174.900 -0.043 0.000 1.324 244 G CA -0.884 44.147 45.100 -0.116 0.000 0.984 244 G HN 0.343 nan 8.290 nan 0.000 0.586 245 P HA 0.247 nan 4.420 nan 0.000 0.271 245 P C 0.813 178.138 177.300 0.041 0.000 1.218 245 P CA 0.404 63.477 63.100 -0.046 0.000 0.780 245 P CB 1.385 33.011 31.700 -0.123 0.000 0.901 246 S N 0.465 116.193 115.700 0.046 0.000 2.631 246 S HA 0.056 4.526 4.470 -0.000 0.000 0.217 246 S C 0.839 175.393 174.600 -0.078 0.000 0.958 246 S CA -0.195 58.087 58.200 0.136 0.000 0.920 246 S CB -0.589 62.710 63.200 0.165 0.000 0.776 246 S HN 0.326 nan 8.310 nan 0.000 0.517 247 N N 2.265 120.835 118.700 -0.217 0.000 1.785 247 N HA 0.318 5.057 4.740 -0.000 0.000 0.230 247 N C 1.233 176.144 175.510 -0.999 0.000 1.188 247 N CA 0.311 53.138 53.050 -0.371 0.000 0.977 247 N CB -1.256 37.086 38.487 -0.242 0.000 1.309 247 N HN 0.363 nan 8.380 nan 0.000 0.396 248 G N 0.990 109.136 108.800 -1.090 0.000 2.492 248 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.353 248 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.353 248 G C 0.156 174.047 174.900 -1.682 0.000 1.297 248 G CA -0.009 43.980 45.100 -1.850 0.000 1.192 248 G HN 0.253 nan 8.290 nan 0.000 0.677 249 Q N -0.749 118.232 119.800 -1.365 0.000 2.431 249 Q HA 0.274 4.614 4.340 -0.000 0.000 0.349 249 Q C 0.527 176.404 176.000 -0.205 0.000 1.119 249 Q CA 0.948 56.467 55.803 -0.474 0.000 1.065 249 Q CB 0.457 29.104 28.738 -0.151 0.000 1.149 249 Q HN 0.771 nan 8.270 nan 0.000 0.403 250 A N 2.148 124.967 122.820 -0.002 0.000 2.475 250 A HA 0.704 5.024 4.320 -0.000 0.000 0.281 250 A C -0.841 176.352 177.584 -0.651 0.000 1.263 250 A CA -0.221 51.721 52.037 -0.158 0.000 0.776 250 A CB 1.794 20.864 19.000 0.116 0.000 1.347 250 A HN 0.588 nan 8.150 nan 0.000 0.443 251 S N -0.608 114.761 115.700 -0.552 0.000 2.454 251 S HA 0.720 5.190 4.470 -0.000 0.000 0.306 251 S C -1.572 172.774 174.600 -0.423 0.000 1.100 251 S CA -0.373 57.543 58.200 -0.474 0.000 1.087 251 S CB 0.136 63.432 63.200 0.160 0.000 1.019 251 S HN 0.480 nan 8.310 nan 0.000 0.480 252 Y N 2.587 123.005 120.300 0.195 0.000 2.364 252 Y HA 0.597 5.147 4.550 -0.000 0.000 0.340 252 Y C 0.275 176.148 175.900 -0.045 0.000 0.975 252 Y CA -1.000 57.168 58.100 0.114 0.000 1.089 252 Y CB 1.488 39.938 38.460 -0.018 0.000 1.192 252 Y HN 0.432 nan 8.280 nan 0.000 0.454 253 K N 3.782 124.235 120.400 0.088 0.000 2.324 253 K HA 0.606 4.926 4.320 -0.000 0.000 0.253 253 K C -1.232 175.191 176.600 -0.296 0.000 0.932 253 K CA -0.672 55.423 56.287 -0.319 0.000 0.799 253 K CB 2.352 34.420 32.500 -0.719 0.000 1.154 253 K HN 0.638 nan 8.250 nan 0.000 0.425 254 I N 3.495 123.744 120.570 -0.536 0.000 2.359 254 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 254 I C -0.665 175.115 176.117 -0.561 0.000 0.987 254 I CA -0.610 60.406 61.300 -0.473 0.000 1.225 254 I CB 0.588 38.127 38.000 -0.769 0.000 1.366 254 I HN 0.345 nan 8.210 nan 0.000 0.466 255 F N 4.899 124.778 119.950 -0.117 0.000 2.507 255 F HA 0.513 5.040 4.527 -0.000 0.000 0.327 255 F C 0.162 175.933 175.800 -0.048 0.000 1.068 255 F CA -0.749 57.199 58.000 -0.088 0.000 0.965 255 F CB 1.686 40.650 39.000 -0.059 0.000 1.192 255 F HN 0.281 nan 8.300 nan 0.000 0.476 256 K N 4.759 125.192 120.400 0.055 0.000 2.463 256 K HA 0.656 4.976 4.320 -0.000 0.000 0.255 256 K C -1.395 175.102 176.600 -0.172 0.000 0.942 256 K CA -0.642 55.521 56.287 -0.208 0.000 0.814 256 K CB 1.126 33.516 32.500 -0.183 0.000 1.122 256 K HN 0.785 nan 8.250 nan 0.000 0.425 257 M N 1.493 120.944 119.600 -0.248 0.000 2.572 257 M HA 0.529 5.008 4.480 -0.000 0.000 0.299 257 M C -1.436 174.731 176.300 -0.222 0.000 1.205 257 M CA -0.787 54.410 55.300 -0.171 0.000 0.876 257 M CB 2.264 34.800 32.600 -0.106 0.000 1.728 257 M HN 0.465 nan 8.290 nan 0.000 0.458 258 E N 1.007 121.082 120.200 -0.208 0.000 2.256 258 E HA 0.401 4.751 4.350 -0.000 0.000 0.268 258 E C -1.159 175.234 176.600 -0.344 0.000 0.877 258 E CA -0.917 55.338 56.400 -0.241 0.000 0.757 258 E CB 2.159 31.747 29.700 -0.186 0.000 1.183 258 E HN 0.691 nan 8.360 nan 0.000 0.418 259 K N 1.231 121.277 120.400 -0.590 0.000 3.077 259 K HA -0.277 4.043 4.320 -0.000 0.000 0.264 259 K C 0.624 176.750 176.600 -0.791 0.000 1.008 259 K CA 0.617 56.215 56.287 -1.148 0.000 0.740 259 K CB -1.671 30.425 32.500 -0.674 0.000 1.273 259 K HN 1.136 nan 8.250 nan 0.000 0.477 260 G N 0.641 109.165 108.800 -0.461 0.000 2.180 260 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.263 260 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.263 260 G C -0.026 174.800 174.900 -0.124 0.000 0.989 260 G CA 1.183 46.195 45.100 -0.146 0.000 0.692 260 G HN 0.497 nan 8.290 nan 0.000 0.526 261 K N 0.390 120.696 120.400 -0.156 0.000 2.235 261 K HA 0.583 4.903 4.320 -0.000 0.000 0.266 261 K C 0.497 177.045 176.600 -0.086 0.000 0.980 261 K CA -0.893 55.332 56.287 -0.103 0.000 0.849 261 K CB 1.487 33.928 32.500 -0.099 0.000 1.098 261 K HN -0.003 nan 8.250 nan 0.000 0.445 262 V N 5.371 125.258 119.914 -0.045 0.000 2.540 262 V HA -0.049 4.071 4.120 -0.000 0.000 0.297 262 V C 1.161 177.242 176.094 -0.021 0.000 1.024 262 V CA 0.181 62.483 62.300 0.002 0.000 1.105 262 V CB 0.853 32.725 31.823 0.082 0.000 0.938 262 V HN 0.783 nan 8.190 nan 0.000 0.482 263 V N 1.526 121.416 119.914 -0.040 0.000 3.645 263 V HA 0.484 4.604 4.120 -0.000 0.000 0.275 263 V C 0.385 176.452 176.094 -0.045 0.000 1.356 263 V CA 0.390 62.660 62.300 -0.049 0.000 1.051 263 V CB -0.110 31.672 31.823 -0.068 0.000 0.828 263 V HN 0.783 nan 8.190 nan 0.000 0.441 264 K N 0.631 121.003 120.400 -0.047 0.000 2.587 264 K HA 0.620 4.940 4.320 -0.000 0.000 0.276 264 K C -1.404 175.115 176.600 -0.134 0.000 0.956 264 K CA 0.372 56.614 56.287 -0.074 0.000 0.857 264 K CB 2.342 34.809 32.500 -0.055 0.000 1.431 264 K HN 0.486 nan 8.250 nan 0.000 0.420 265 S N 0.488 116.050 115.700 -0.230 0.000 2.550 265 S HA 0.719 5.189 4.470 -0.000 0.000 0.270 265 S C -1.600 172.745 174.600 -0.425 0.000 1.145 265 S CA -0.722 57.202 58.200 -0.460 0.000 0.852 265 S CB 2.001 64.768 63.200 -0.722 0.000 1.119 265 S HN 0.250 nan 8.310 nan 0.000 0.465 266 V N 1.507 121.111 119.914 -0.517 0.000 2.808 266 V HA 0.535 4.655 4.120 -0.000 0.000 0.308 266 V C -0.650 175.174 176.094 -0.449 0.000 1.099 266 V CA -0.570 61.505 62.300 -0.375 0.000 0.920 266 V CB 1.803 33.496 31.823 -0.216 0.000 1.014 266 V HN 1.031 nan 8.190 nan 0.000 0.425 267 E N 4.320 124.306 120.200 -0.357 0.000 2.174 267 E HA 0.516 4.865 4.350 -0.000 0.000 0.282 267 E C -0.998 175.442 176.600 -0.266 0.000 0.992 267 E CA -0.610 55.581 56.400 -0.349 0.000 0.803 267 E CB 1.133 30.642 29.700 -0.319 0.000 1.090 267 E HN 0.592 nan 8.360 nan 0.000 0.396 268 L N 3.718 124.747 121.223 -0.323 0.000 2.416 268 L HA 0.124 4.464 4.340 -0.000 0.000 0.272 268 L C 0.302 177.138 176.870 -0.058 0.000 1.161 268 L CA -0.104 54.512 54.840 -0.372 0.000 0.845 268 L CB 0.391 42.188 42.059 -0.438 0.000 1.119 268 L HN 0.608 nan 8.230 nan 0.000 0.464 269 D N 3.006 123.447 120.400 0.069 0.000 2.524 269 D HA 0.391 5.031 4.640 -0.000 0.000 0.222 269 D C -0.208 176.154 176.300 0.103 0.000 1.142 269 D CA -0.179 53.885 54.000 0.105 0.000 0.973 269 D CB 0.709 41.585 40.800 0.127 0.000 1.025 269 D HN 0.542 nan 8.370 nan 0.000 0.519 270 A N 4.412 127.316 122.820 0.141 0.000 3.204 270 A HA 0.379 4.698 4.320 -0.000 0.000 0.327 270 A C -2.490 175.328 177.584 0.389 0.000 0.998 270 A CA -1.218 50.895 52.037 0.126 0.000 0.891 270 A CB 0.361 19.351 19.000 -0.018 0.000 1.061 270 A HN 0.371 nan 8.150 nan 0.000 0.478 271 P HA 0.066 nan 4.420 nan 0.000 0.267 271 P C 0.163 177.756 177.300 0.488 0.000 1.209 271 P CA 0.685 64.002 63.100 0.362 0.000 0.763 271 P CB 0.896 32.741 31.700 0.241 0.000 0.816 272 N N 0.824 119.871 118.700 0.578 0.000 2.994 272 N HA -0.176 4.564 4.740 -0.000 0.000 0.221 272 N C -1.074 174.700 175.510 0.439 0.000 0.900 272 N CA 1.096 54.417 53.050 0.453 0.000 1.008 272 N CB -1.765 36.841 38.487 0.198 0.000 1.053 272 N HN 0.351 nan 8.380 nan 0.000 0.580 273 Y N 0.534 121.107 120.300 0.456 0.000 2.488 273 Y HA 0.595 5.145 4.550 -0.000 0.000 0.325 273 Y C 0.593 176.752 175.900 0.433 0.000 1.204 273 Y CA -0.400 57.902 58.100 0.337 0.000 1.229 273 Y CB 1.247 39.794 38.460 0.145 0.000 1.274 273 Y HN 0.055 nan 8.280 nan 0.000 0.493 274 H N 1.703 120.832 119.070 0.097 0.000 2.782 274 H HA 0.341 4.896 4.556 -0.000 0.000 0.347 274 H C -1.960 173.098 175.328 -0.450 0.000 1.038 274 H CA -0.664 55.387 56.048 0.005 0.000 1.255 274 H CB 1.124 31.045 29.762 0.265 0.000 1.623 274 H HN 0.679 nan 8.280 nan 0.000 0.525 275 Y N 2.591 122.315 120.300 -0.960 0.000 2.391 275 Y HA 0.345 4.895 4.550 -0.000 0.000 0.341 275 Y C -0.105 175.573 175.900 -0.369 0.000 0.965 275 Y CA -0.574 57.181 58.100 -0.575 0.000 1.067 275 Y CB 2.054 40.165 38.460 -0.582 0.000 1.199 275 Y HN 0.549 nan 8.280 nan 0.000 0.450 276 E N 1.100 121.287 120.200 -0.021 0.000 2.413 276 E HA 0.290 4.640 4.350 -0.000 0.000 0.277 276 E C -1.214 175.426 176.600 0.068 0.000 0.958 276 E CA -1.129 55.298 56.400 0.046 0.000 0.779 276 E CB 2.040 31.778 29.700 0.063 0.000 1.278 276 E HN 0.634 nan 8.360 nan 0.000 0.456 277 E N 0.219 120.475 120.200 0.093 0.000 2.222 277 E HA -0.231 4.119 4.350 -0.000 0.000 0.189 277 E C -0.903 175.747 176.600 0.083 0.000 1.415 277 E CA 0.034 56.485 56.400 0.086 0.000 0.689 277 E CB -1.452 28.264 29.700 0.027 0.000 1.107 277 E HN 0.323 nan 8.360 nan 0.000 0.350 278 c N 1.194 119.860 118.600 0.110 0.000 2.644 278 c HA 0.210 4.780 4.570 -0.000 0.000 0.417 278 c C 1.157 175.332 174.090 0.142 0.000 1.304 278 c CA -0.249 56.158 56.329 0.131 0.000 2.035 278 c CB 0.790 43.385 42.510 0.143 0.000 2.673 278 c HN 0.407 nan 8.230 nan 0.000 0.602 279 S N 1.969 117.767 115.700 0.163 0.000 2.423 279 S HA 0.375 4.845 4.470 -0.000 0.000 0.317 279 S C -0.410 174.320 174.600 0.217 0.000 1.065 279 S CA -0.404 57.913 58.200 0.194 0.000 1.111 279 S CB 0.237 63.557 63.200 0.200 0.000 0.968 279 S HN 0.820 nan 8.310 nan 0.000 0.474 280 c N 4.014 122.742 118.600 0.214 0.000 2.411 280 c HA 0.819 5.389 4.570 -0.000 0.000 0.330 280 c C -0.483 173.759 174.090 0.254 0.000 1.224 280 c CA -0.966 55.455 56.329 0.153 0.000 1.770 280 c CB -0.228 42.351 42.510 0.115 0.000 2.297 280 c HN 0.921 nan 8.230 nan 0.000 0.507 281 Y N 1.446 121.810 120.300 0.106 0.000 2.553 281 Y HA 0.831 5.381 4.550 -0.000 0.000 0.347 281 Y C -3.101 172.822 175.900 0.037 0.000 1.019 281 Y CA -3.116 55.068 58.100 0.140 0.000 1.032 281 Y CB 0.869 39.495 38.460 0.277 0.000 1.284 281 Y HN 0.436 nan 8.280 nan 0.000 0.466 282 P HA 0.287 nan 4.420 nan 0.000 0.284 282 P C -1.351 176.002 177.300 0.087 0.000 1.258 282 P CA -0.409 62.698 63.100 0.012 0.000 0.824 282 P CB 1.858 33.591 31.700 0.055 0.000 1.038 283 N N 1.405 120.078 118.700 -0.045 0.000 2.655 283 N HA 0.332 5.072 4.740 -0.000 0.000 0.277 283 N C -0.737 174.725 175.510 -0.080 0.000 1.177 283 N CA 0.057 53.094 53.050 -0.022 0.000 0.882 283 N CB 0.651 39.149 38.487 0.019 0.000 1.481 283 N HN 0.557 nan 8.380 nan 0.000 0.547 284 A N 2.335 125.123 122.820 -0.055 0.000 2.667 284 A HA 0.101 4.420 4.320 -0.000 0.000 0.298 284 A C 1.478 179.024 177.584 -0.063 0.000 1.483 284 A CA 1.938 53.942 52.037 -0.055 0.000 0.738 284 A CB -2.032 16.929 19.000 -0.065 0.000 1.067 284 A HN 2.100 nan 8.150 nan 0.000 0.451 285 G N -1.894 106.873 108.800 -0.054 0.000 2.267 285 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.257 285 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.257 285 G C -0.005 174.823 174.900 -0.119 0.000 0.998 285 G CA 1.095 46.163 45.100 -0.055 0.000 0.620 285 G HN 1.366 nan 8.290 nan 0.000 0.529 286 E N -0.652 119.439 120.200 -0.181 0.000 2.299 286 E HA 0.721 5.071 4.350 -0.000 0.000 0.260 286 E C -0.954 175.384 176.600 -0.436 0.000 0.944 286 E CA -1.065 55.158 56.400 -0.296 0.000 0.815 286 E CB 1.750 31.311 29.700 -0.231 0.000 1.252 286 E HN 0.121 nan 8.360 nan 0.000 0.418 287 I N 0.559 120.708 120.570 -0.702 0.000 2.603 287 I HA 0.285 4.455 4.170 -0.000 0.000 0.300 287 I C -0.275 175.341 176.117 -0.834 0.000 1.017 287 I CA -0.290 60.514 61.300 -0.827 0.000 1.098 287 I CB 2.097 39.427 38.000 -1.117 0.000 1.279 287 I HN 0.327 nan 8.210 nan 0.000 0.437 288 T N 3.553 117.624 114.554 -0.804 0.000 2.881 288 T HA 0.501 4.851 4.350 -0.000 0.000 0.290 288 T C -1.165 173.280 174.700 -0.426 0.000 1.000 288 T CA -0.411 61.315 62.100 -0.623 0.000 0.978 288 T CB 1.031 69.452 68.868 -0.746 0.000 0.997 288 T HN 0.521 nan 8.240 nan 0.000 0.443 289 c N 3.054 121.622 118.600 -0.055 0.000 2.340 289 c HA 0.686 5.255 4.570 -0.000 0.000 0.323 289 c C 0.147 174.403 174.090 0.277 0.000 1.260 289 c CA -0.842 55.555 56.329 0.114 0.000 1.464 289 c CB 0.548 43.140 42.510 0.137 0.000 2.156 289 c HN 0.719 nan 8.230 nan 0.000 0.476 290 V N 3.243 123.323 119.914 0.277 0.000 2.370 290 V HA 0.500 4.620 4.120 -0.000 0.000 0.283 290 V C 0.232 176.434 176.094 0.179 0.000 1.023 290 V CA 0.053 62.519 62.300 0.276 0.000 0.857 290 V CB 0.836 32.804 31.823 0.242 0.000 0.985 290 V HN 1.153 nan 8.190 nan 0.000 0.443 291 c N 3.982 122.667 118.600 0.141 0.000 3.188 291 c HA 0.702 5.272 4.570 -0.000 0.000 0.379 291 c C 0.159 174.246 174.090 -0.005 0.000 2.263 291 c CA -1.025 55.360 56.329 0.094 0.000 1.616 291 c CB 1.648 44.272 42.510 0.191 0.000 2.632 291 c HN 0.859 nan 8.230 nan 0.000 0.488 292 R N 1.169 121.659 120.500 -0.016 0.000 2.437 292 R HA 0.414 4.754 4.340 -0.000 0.000 0.310 292 R C -1.769 174.531 176.300 -0.000 0.000 0.955 292 R CA -0.039 56.039 56.100 -0.036 0.000 0.851 292 R CB 0.927 31.193 30.300 -0.057 0.000 1.161 292 R HN 0.811 nan 8.270 nan 0.000 0.446 293 D N 3.180 123.603 120.400 0.038 0.000 2.412 293 D HA 0.087 4.727 4.640 -0.000 0.000 0.224 293 D C -0.115 176.328 176.300 0.238 0.000 1.093 293 D CA -0.252 53.865 54.000 0.196 0.000 0.850 293 D CB 1.228 42.139 40.800 0.185 0.000 1.046 293 D HN 0.613 nan 8.370 nan 0.000 0.507 294 N N 3.132 122.091 118.700 0.431 0.000 2.353 294 N HA 0.018 4.758 4.740 -0.000 0.000 0.185 294 N C 0.864 176.439 175.510 0.108 0.000 1.098 294 N CA 0.050 53.236 53.050 0.227 0.000 0.872 294 N CB 0.130 38.791 38.487 0.289 0.000 0.970 294 N HN 0.485 nan 8.380 nan 0.000 0.467 295 W N 1.027 122.135 121.300 -0.320 0.000 2.587 295 W HA 0.065 4.725 4.660 -0.000 0.000 0.307 295 W C 0.194 176.621 176.519 -0.154 0.000 1.138 295 W CA 1.752 58.823 57.345 -0.458 0.000 1.450 295 W CB -0.494 28.447 29.460 -0.864 0.000 1.149 295 W HN 0.327 nan 8.180 nan 0.000 0.512 296 H N -1.936 117.046 119.070 -0.146 0.000 3.407 296 H HA 0.505 5.061 4.556 -0.000 0.000 0.222 296 H C -0.430 174.729 175.328 -0.283 0.000 1.357 296 H CA -0.934 54.926 56.048 -0.314 0.000 1.145 296 H CB -0.476 28.897 29.762 -0.648 0.000 2.622 296 H HN 0.069 nan 8.280 nan 0.000 0.556 297 G N -0.448 108.392 108.800 0.067 0.000 2.687 297 G HA2 0.457 4.417 3.960 -0.000 0.000 0.301 297 G HA3 0.457 4.417 3.960 -0.000 0.000 0.301 297 G C -0.024 174.876 174.900 0.000 0.000 1.416 297 G CA -0.472 44.628 45.100 -0.000 0.000 1.005 297 G HN 0.160 nan 8.290 nan 0.000 0.509 298 S N 0.988 116.635 115.700 -0.088 0.000 2.441 298 S HA 0.008 4.477 4.470 -0.000 0.000 0.224 298 S C 1.294 175.908 174.600 0.024 0.000 1.043 298 S CA 0.163 58.295 58.200 -0.113 0.000 0.948 298 S CB -0.088 62.882 63.200 -0.382 0.000 0.810 298 S HN 0.832 nan 8.310 nan 0.000 0.504 299 N N 2.139 120.900 118.700 0.102 0.000 2.408 299 N HA 0.166 4.906 4.740 -0.000 0.000 0.260 299 N C -0.513 175.074 175.510 0.129 0.000 1.242 299 N CA -0.290 52.873 53.050 0.189 0.000 0.959 299 N CB 0.318 38.952 38.487 0.246 0.000 1.201 299 N HN 0.094 nan 8.380 nan 0.000 0.511 300 R N -0.035 120.483 120.500 0.030 0.000 2.312 300 R HA 0.420 4.760 4.340 -0.000 0.000 0.311 300 R C -2.112 173.993 176.300 -0.325 0.000 1.004 300 R CA -1.534 54.506 56.100 -0.101 0.000 0.902 300 R CB 1.203 31.463 30.300 -0.067 0.000 1.073 300 R HN 0.556 nan 8.270 nan 0.000 0.457 301 P HA 0.203 nan 4.420 nan 0.000 0.279 301 P C -0.838 176.343 177.300 -0.199 0.000 1.252 301 P CA -0.361 62.070 63.100 -1.115 0.000 0.811 301 P CB 0.929 31.697 31.700 -1.553 0.000 1.035 302 W N -0.525 120.762 121.300 -0.021 0.000 3.062 302 W HA 0.667 5.327 4.660 -0.000 0.000 0.336 302 W C -2.427 174.288 176.519 0.326 0.000 1.224 302 W CA -1.248 56.228 57.345 0.219 0.000 1.159 302 W CB 0.953 30.530 29.460 0.195 0.000 1.454 302 W HN -0.005 nan 8.180 nan 0.000 0.569 303 V N 2.273 122.596 119.914 0.682 0.000 2.711 303 V HA 0.393 4.513 4.120 -0.000 0.000 0.304 303 V C -0.320 176.037 176.094 0.439 0.000 1.097 303 V CA -0.635 61.944 62.300 0.465 0.000 0.906 303 V CB 1.716 33.598 31.823 0.099 0.000 1.015 303 V HN 0.653 nan 8.190 nan 0.000 0.427 304 S N 4.232 120.217 115.700 0.475 0.000 2.513 304 S HA 0.995 5.465 4.470 -0.000 0.000 0.299 304 S C -0.960 173.772 174.600 0.219 0.000 1.087 304 S CA -0.666 57.600 58.200 0.111 0.000 1.012 304 S CB 2.172 65.427 63.200 0.091 0.000 1.044 304 S HN 1.090 nan 8.310 nan 0.000 0.485 305 F N -0.645 119.301 119.950 -0.007 0.000 2.693 305 F HA 0.723 5.250 4.527 -0.000 0.000 0.309 305 F C -0.807 174.907 175.800 -0.142 0.000 1.129 305 F CA -1.151 56.839 58.000 -0.017 0.000 0.948 305 F CB 0.575 39.592 39.000 0.028 0.000 1.315 305 F HN 0.641 nan 8.300 nan 0.000 0.447 309 N N 1.211 120.020 118.700 0.182 0.000 2.380 309 N HA 0.145 4.884 4.740 -0.000 0.000 0.255 309 N C -0.186 175.385 175.510 0.102 0.000 1.158 309 N CA 0.130 53.256 53.050 0.126 0.000 0.878 309 N CB 0.866 39.395 38.487 0.071 0.000 1.138 309 N HN 0.072 nan 8.380 nan 0.000 0.509 310 L N 0.444 121.754 121.223 0.145 0.000 3.970 310 L HA -0.278 4.062 4.340 -0.000 0.000 0.425 310 L C -0.086 176.856 176.870 0.120 0.000 1.162 310 L CA 1.051 55.921 54.840 0.051 0.000 0.968 310 L CB -2.201 39.814 42.059 -0.073 0.000 1.896 310 L HN 0.293 nan 8.230 nan 0.000 1.006 311 E N -0.265 120.007 120.200 0.119 0.000 2.259 311 E HA 0.478 4.828 4.350 -0.000 0.000 0.281 311 E C -0.117 176.566 176.600 0.139 0.000 1.037 311 E CA -0.361 56.067 56.400 0.045 0.000 0.854 311 E CB 0.667 30.366 29.700 -0.002 0.000 1.051 311 E HN 0.391 nan 8.360 nan 0.000 0.409 312 Y N -0.279 120.062 120.300 0.069 0.000 2.665 312 Y HA 0.558 5.108 4.550 -0.000 0.000 0.336 312 Y C -0.698 175.275 175.900 0.122 0.000 1.085 312 Y CA -1.270 56.914 58.100 0.140 0.000 1.096 312 Y CB 1.333 39.860 38.460 0.112 0.000 1.301 312 Y HN 0.288 nan 8.280 nan 0.000 0.493 313 Q N 1.932 121.990 119.800 0.430 0.000 2.389 313 Q HA 0.710 5.050 4.340 -0.000 0.000 0.277 313 Q C -1.229 174.999 176.000 0.381 0.000 1.082 313 Q CA -1.077 54.939 55.803 0.356 0.000 0.810 313 Q CB 3.541 32.522 28.738 0.405 0.000 1.374 313 Q HN 0.840 nan 8.270 nan 0.000 0.422 314 I N -2.808 117.785 120.570 0.038 0.000 3.042 314 I HA 1.000 5.170 4.170 -0.000 0.000 0.310 314 I C -0.136 175.482 176.117 -0.832 0.000 1.117 314 I CA -0.801 60.254 61.300 -0.408 0.000 1.003 314 I CB 2.466 40.274 38.000 -0.320 0.000 1.228 314 I HN 0.731 nan 8.210 nan 0.000 0.443 315 G N 1.324 109.467 108.800 -1.095 0.000 2.360 315 G HA2 0.427 4.387 3.960 -0.000 0.000 0.276 315 G HA3 0.427 4.387 3.960 -0.000 0.000 0.276 315 G C -2.502 171.868 174.900 -0.884 0.000 1.256 315 G CA -0.612 44.029 45.100 -0.765 0.000 0.890 315 G HN 0.629 nan 8.290 nan 0.000 0.486 316 Y N -0.568 119.421 120.300 -0.518 0.000 2.492 316 Y HA 0.603 5.153 4.550 -0.000 0.000 0.346 316 Y C 0.557 176.435 175.900 -0.038 0.000 0.997 316 Y CA -0.756 57.205 58.100 -0.232 0.000 1.025 316 Y CB 1.950 40.250 38.460 -0.267 0.000 1.263 316 Y HN 0.516 nan 8.280 nan 0.000 0.454 317 I N 2.708 123.278 120.570 -0.001 0.000 2.662 317 I HA -0.096 4.074 4.170 -0.000 0.000 0.285 317 I C 0.343 176.396 176.117 -0.108 0.000 1.161 317 I CA 0.349 61.489 61.300 -0.267 0.000 1.415 317 I CB 0.340 38.188 38.000 -0.253 0.000 1.385 317 I HN 0.771 nan 8.210 nan 0.000 0.552 318 c N 3.508 122.026 118.600 -0.136 0.000 2.626 318 c HA 0.036 4.606 4.570 -0.000 0.000 0.266 318 c C 1.599 175.629 174.090 -0.100 0.000 1.317 318 c CA -0.277 56.013 56.329 -0.066 0.000 1.716 318 c CB -1.411 41.076 42.510 -0.039 0.000 1.819 318 c HN 0.852 nan 8.230 nan 0.000 0.578 319 S N 1.175 116.784 115.700 -0.152 0.000 2.568 319 S HA 0.346 4.816 4.470 -0.000 0.000 0.282 319 S C 1.327 175.692 174.600 -0.392 0.000 1.338 319 S CA 0.421 58.486 58.200 -0.225 0.000 1.045 319 S CB 0.784 63.845 63.200 -0.231 0.000 0.873 319 S HN 0.583 nan 8.310 nan 0.000 0.516 320 G N 2.586 111.099 108.800 -0.479 0.000 2.920 320 G HA2 0.151 4.111 3.960 -0.000 0.000 0.208 320 G HA3 0.151 4.111 3.960 -0.000 0.000 0.208 320 G C 0.056 174.237 174.900 -1.199 0.000 1.159 320 G CA -0.101 44.472 45.100 -0.880 0.000 0.784 320 G HN 0.625 nan 8.290 nan 0.000 0.535 321 V N 2.571 122.039 119.914 -0.744 0.000 2.267 321 V HA 0.283 4.403 4.120 -0.000 0.000 0.254 321 V C -0.343 175.424 176.094 -0.545 0.000 1.144 321 V CA -0.887 61.064 62.300 -0.582 0.000 0.992 321 V CB -0.832 30.726 31.823 -0.442 0.000 1.199 321 V HN 0.197 nan 8.190 nan 0.000 0.493 322 F N 2.008 121.880 119.950 -0.131 0.000 2.484 322 F HA 0.401 4.928 4.527 -0.000 0.000 0.360 322 F C 1.568 177.278 175.800 -0.149 0.000 1.101 322 F CA 0.126 58.054 58.000 -0.120 0.000 1.251 322 F CB 0.737 39.683 39.000 -0.089 0.000 1.132 322 F HN 0.438 nan 8.300 nan 0.000 0.570 323 G N 0.650 109.464 108.800 0.024 0.000 3.020 323 G HA2 -0.021 3.938 3.960 -0.000 0.000 0.217 323 G HA3 -0.021 3.938 3.960 -0.000 0.000 0.217 323 G C -0.056 174.803 174.900 -0.069 0.000 1.144 323 G CA 0.008 45.052 45.100 -0.093 0.000 0.760 323 G HN 0.534 nan 8.290 nan 0.000 0.548 324 D N 0.047 120.445 120.400 -0.004 0.000 2.437 324 D HA 0.300 4.940 4.640 -0.000 0.000 0.259 324 D C -0.707 175.592 176.300 -0.001 0.000 1.118 324 D CA -0.676 53.312 54.000 -0.020 0.000 1.017 324 D CB 1.011 41.803 40.800 -0.013 0.000 1.120 324 D HN 0.003 nan 8.370 nan 0.000 0.541 325 N N 0.758 119.457 118.700 -0.001 0.000 2.454 325 N HA 0.271 5.010 4.740 -0.000 0.000 0.291 325 N C -2.939 172.602 175.510 0.051 0.000 1.079 325 N CA -1.376 51.700 53.050 0.043 0.000 0.893 325 N CB 2.551 41.085 38.487 0.077 0.000 1.512 325 N HN 0.137 nan 8.380 nan 0.000 0.497 326 P HA 0.255 nan 4.420 nan 0.000 0.282 326 P C -0.782 176.536 177.300 0.031 0.000 1.286 326 P CA 0.065 63.221 63.100 0.094 0.000 0.777 326 P CB 1.028 32.802 31.700 0.123 0.000 1.184 327 R N -3.467 117.033 120.500 0.000 0.000 3.033 327 R HA 0.460 4.800 4.340 -0.000 0.000 0.284 327 R C -3.239 173.013 176.300 -0.079 0.000 0.997 327 R CA -1.577 54.480 56.100 -0.071 0.000 0.851 327 R CB 0.153 30.446 30.300 -0.012 0.000 1.297 327 R HN 0.174 nan 8.270 nan 0.000 0.518 328 P HA 0.196 nan 4.420 nan 0.000 0.281 328 P C -0.859 176.470 177.300 0.047 0.000 1.281 328 P CA -0.608 62.417 63.100 -0.126 0.000 0.811 328 P CB 0.642 32.174 31.700 -0.280 0.000 1.154 329 N N 0.380 119.130 118.700 0.084 0.000 2.399 329 N HA 0.044 4.784 4.740 -0.000 0.000 0.250 329 N C -0.312 175.363 175.510 0.276 0.000 1.272 329 N CA 0.116 53.249 53.050 0.139 0.000 0.928 329 N CB 0.046 38.580 38.487 0.080 0.000 1.158 329 N HN 0.359 nan 8.380 nan 0.000 0.463 330 D N 0.485 120.996 120.400 0.184 0.000 2.389 330 D HA 0.173 4.813 4.640 -0.000 0.000 0.263 330 D C 0.810 177.167 176.300 0.095 0.000 1.255 330 D CA 0.301 54.355 54.000 0.090 0.000 0.914 330 D CB 0.450 41.207 40.800 -0.071 0.000 1.116 330 D HN 0.537 nan 8.370 nan 0.000 0.502 331 G N 1.295 110.212 108.800 0.195 0.000 3.407 331 G HA2 0.353 4.313 3.960 -0.000 0.000 0.187 331 G HA3 0.353 4.313 3.960 -0.000 0.000 0.187 331 G C -0.476 174.450 174.900 0.043 0.000 1.262 331 G CA -0.314 44.870 45.100 0.139 0.000 0.808 331 G HN 0.325 nan 8.290 nan 0.000 0.687 332 T N 0.464 115.085 114.554 0.112 0.000 2.758 332 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 332 T C 0.438 175.226 174.700 0.145 0.000 0.981 332 T CA 0.077 62.206 62.100 0.049 0.000 0.965 332 T CB 1.176 70.057 68.868 0.022 0.000 0.927 332 T HN 0.669 nan 8.240 nan 0.000 0.448 340 P HA -0.135 nan 4.420 nan 0.000 0.259 340 P C 0.484 177.391 177.300 -0.655 0.000 1.111 340 P CA 0.301 62.686 63.100 -1.192 0.000 0.758 340 P CB 0.421 31.454 31.700 -1.112 0.000 0.693 341 V N 3.967 123.637 119.914 -0.406 0.000 2.439 341 V HA 0.002 4.122 4.120 -0.000 0.000 0.271 341 V C 1.980 177.860 176.094 -0.357 0.000 1.040 341 V CA 0.915 63.011 62.300 -0.341 0.000 1.002 341 V CB 0.419 32.045 31.823 -0.327 0.000 1.000 341 V HN 0.703 nan 8.190 nan 0.000 0.477 342 S N 2.520 118.003 115.700 -0.363 0.000 2.561 342 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 342 S C 1.055 175.518 174.600 -0.229 0.000 0.977 342 S CA 0.285 58.294 58.200 -0.318 0.000 0.926 342 S CB -0.213 62.790 63.200 -0.329 0.000 0.769 342 S HN 0.853 nan 8.310 nan 0.000 0.533 343 S N 2.234 117.778 115.700 -0.261 0.000 2.701 343 S HA 0.429 4.899 4.470 -0.000 0.000 0.317 343 S C 0.494 174.963 174.600 -0.218 0.000 1.149 343 S CA -0.540 57.526 58.200 -0.223 0.000 1.052 343 S CB -0.147 62.917 63.200 -0.226 0.000 1.257 343 S HN 0.450 nan 8.310 nan 0.000 0.532 344 N N 2.227 120.846 118.700 -0.135 0.000 2.926 344 N HA -0.144 4.596 4.740 -0.000 0.000 0.192 344 N C 0.785 176.263 175.510 -0.054 0.000 1.055 344 N CA 1.466 54.464 53.050 -0.087 0.000 1.022 344 N CB -1.639 36.784 38.487 -0.106 0.000 0.974 344 N HN 0.836 nan 8.380 nan 0.000 0.569 345 G N 0.462 109.205 108.800 -0.095 0.000 3.356 345 G HA2 0.391 4.351 3.960 -0.000 0.000 0.239 345 G HA3 0.391 4.351 3.960 -0.000 0.000 0.239 345 G C 0.986 175.908 174.900 0.036 0.000 1.252 345 G CA 0.705 45.784 45.100 -0.036 0.000 1.611 345 G HN 0.562 nan 8.290 nan 0.000 0.580 346 A N -0.563 122.299 122.820 0.069 0.000 2.327 346 A HA 0.544 4.864 4.320 -0.000 0.000 0.228 346 A C 0.295 178.013 177.584 0.223 0.000 1.275 346 A CA -0.012 52.098 52.037 0.120 0.000 0.875 346 A CB -0.174 18.877 19.000 0.086 0.000 0.925 346 A HN 0.630 nan 8.150 nan 0.000 0.493 347 Y N -2.340 117.991 120.300 0.052 0.000 2.524 347 Y HA 0.500 5.050 4.550 -0.000 0.000 0.234 347 Y C 0.275 176.224 175.900 0.082 0.000 1.951 347 Y CA -0.014 58.129 58.100 0.071 0.000 0.993 347 Y CB 0.027 38.524 38.460 0.062 0.000 3.348 347 Y HN 0.679 nan 8.280 nan 0.000 0.303 348 G N 0.423 108.823 108.800 -0.667 0.000 2.352 348 G HA2 0.456 4.416 3.960 -0.000 0.000 0.283 348 G HA3 0.456 4.416 3.960 -0.000 0.000 0.283 348 G C -2.396 172.225 174.900 -0.465 0.000 1.308 348 G CA -0.083 44.761 45.100 -0.427 0.000 0.892 348 G HN 1.284 nan 8.290 nan 0.000 0.504 349 V N 0.042 119.807 119.914 -0.247 0.000 2.924 349 V HA 0.655 4.775 4.120 -0.000 0.000 0.300 349 V C -0.079 175.819 176.094 -0.326 0.000 1.227 349 V CA -0.626 61.537 62.300 -0.229 0.000 0.954 349 V CB 1.788 33.595 31.823 -0.026 0.000 1.055 349 V HN 1.114 nan 8.190 nan 0.000 0.429 350 K N 3.994 123.966 120.400 -0.714 0.000 2.466 350 K HA 0.405 4.724 4.320 -0.000 0.000 0.278 350 K C 0.090 176.569 176.600 -0.203 0.000 1.048 350 K CA 1.111 57.099 56.287 -0.499 0.000 1.088 350 K CB 0.172 32.257 32.500 -0.692 0.000 0.884 350 K HN 0.978 nan 8.250 nan 0.000 0.478 351 G N 2.951 111.694 108.800 -0.094 0.000 2.949 351 G HA2 0.709 4.669 3.960 -0.000 0.000 0.285 351 G HA3 0.709 4.669 3.960 -0.000 0.000 0.285 351 G C -1.370 173.540 174.900 0.016 0.000 1.395 351 G CA -0.969 44.099 45.100 -0.053 0.000 0.901 351 G HN 0.633 nan 8.290 nan 0.000 0.519 352 F N -2.325 117.533 119.950 -0.153 0.000 2.869 352 F HA 0.910 5.437 4.527 -0.000 0.000 0.325 352 F C -0.363 175.307 175.800 -0.217 0.000 1.184 352 F CA -1.528 56.355 58.000 -0.196 0.000 0.951 352 F CB 1.564 40.361 39.000 -0.339 0.000 1.421 352 F HN 0.592 nan 8.300 nan 0.000 0.501 353 S N -0.587 115.058 115.700 -0.091 0.000 2.578 353 S HA 0.601 5.071 4.470 -0.000 0.000 0.272 353 S C -2.016 172.595 174.600 0.018 0.000 1.145 353 S CA -0.772 57.383 58.200 -0.075 0.000 0.835 353 S CB 1.301 64.541 63.200 0.067 0.000 1.104 353 S HN 0.570 nan 8.310 nan 0.000 0.458 354 F N 2.038 122.248 119.950 0.433 0.000 2.427 354 F HA 0.468 4.995 4.527 -0.000 0.000 0.348 354 F C 0.279 176.315 175.800 0.393 0.000 1.125 354 F CA -0.727 57.453 58.000 0.299 0.000 0.989 354 F CB 1.440 40.650 39.000 0.351 0.000 1.165 354 F HN 0.315 nan 8.300 nan 0.000 0.442 355 K N 4.067 124.638 120.400 0.285 0.000 2.297 355 K HA 0.271 4.591 4.320 -0.000 0.000 0.286 355 K C -1.779 174.813 176.600 -0.013 0.000 1.053 355 K CA -0.219 56.008 56.287 -0.099 0.000 0.940 355 K CB 0.504 32.389 32.500 -1.024 0.000 1.019 355 K HN 0.625 nan 8.250 nan 0.000 0.475 356 Y N 3.781 124.158 120.300 0.128 0.000 2.526 356 Y HA 0.260 4.810 4.550 -0.000 0.000 0.328 356 Y C 0.823 176.779 175.900 0.093 0.000 0.995 356 Y CA 0.521 58.711 58.100 0.150 0.000 1.304 356 Y CB 1.614 40.268 38.460 0.323 0.000 1.096 356 Y HN 1.064 nan 8.280 nan 0.000 0.499 357 G N 2.703 111.539 108.800 0.061 0.000 2.536 357 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.280 357 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.280 357 G C 0.832 175.728 174.900 -0.006 0.000 1.152 357 G CA 0.494 45.619 45.100 0.042 0.000 0.970 357 G HN 0.534 nan 8.290 nan 0.000 0.549 358 N N 2.569 121.303 118.700 0.056 0.000 2.280 358 N HA 0.257 4.997 4.740 -0.000 0.000 0.192 358 N C 0.983 176.537 175.510 0.075 0.000 1.109 358 N CA 1.024 54.119 53.050 0.074 0.000 0.855 358 N CB 0.532 39.059 38.487 0.067 0.000 0.974 358 N HN 0.830 nan 8.380 nan 0.000 0.482 359 G N 0.027 108.859 108.800 0.054 0.000 2.488 359 G HA2 0.568 4.527 3.960 -0.000 0.000 0.318 359 G HA3 0.568 4.527 3.960 -0.000 0.000 0.318 359 G C -0.496 174.436 174.900 0.055 0.000 1.188 359 G CA -0.242 44.746 45.100 -0.186 0.000 0.944 359 G HN -0.061 nan 8.290 nan 0.000 0.495 360 V N -1.697 118.133 119.914 -0.140 0.000 3.049 360 V HA 0.525 4.645 4.120 -0.000 0.000 0.309 360 V C -1.610 174.648 176.094 0.273 0.000 1.148 360 V CA -1.026 61.434 62.300 0.266 0.000 0.990 360 V CB 2.229 34.208 31.823 0.259 0.000 1.039 360 V HN 0.802 nan 8.190 nan 0.000 0.430 361 W N 2.841 124.473 121.300 0.554 0.000 2.294 361 W HA 0.735 5.394 4.660 -0.000 0.000 0.314 361 W C -0.384 176.214 176.519 0.132 0.000 1.044 361 W CA -0.256 57.390 57.345 0.501 0.000 1.284 361 W CB 1.478 31.384 29.460 0.743 0.000 1.231 361 W HN 0.412 nan 8.180 nan 0.000 0.419 362 I N 4.215 124.858 120.570 0.121 0.000 2.331 362 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 362 I C 0.893 176.740 176.117 -0.450 0.000 0.998 362 I CA -0.586 60.590 61.300 -0.206 0.000 1.267 362 I CB 0.968 38.816 38.000 -0.254 0.000 1.386 362 I HN 0.455 nan 8.210 nan 0.000 0.476 363 G N 6.797 115.078 108.800 -0.865 0.000 2.335 363 G HA2 0.684 4.644 3.960 -0.000 0.000 0.314 363 G HA3 0.684 4.644 3.960 -0.000 0.000 0.314 363 G C -0.506 173.818 174.900 -0.959 0.000 1.129 363 G CA -0.541 43.912 45.100 -1.078 0.000 0.912 363 G HN 0.779 nan 8.290 nan 0.000 0.443 364 R N 0.349 120.151 120.500 -1.163 0.000 2.764 364 R HA 0.698 5.038 4.340 -0.000 0.000 0.270 364 R C -0.148 175.758 176.300 -0.657 0.000 1.014 364 R CA -0.868 54.830 56.100 -0.670 0.000 0.904 364 R CB 0.594 30.662 30.300 -0.388 0.000 1.236 364 R HN 0.482 nan 8.270 nan 0.000 0.466 365 T N -1.075 113.397 114.554 -0.137 0.000 2.860 365 T HA 0.180 4.530 4.350 -0.000 0.000 0.299 365 T C 0.720 175.386 174.700 -0.057 0.000 1.045 365 T CA -0.585 61.548 62.100 0.055 0.000 1.071 365 T CB 1.010 69.973 68.868 0.158 0.000 0.985 365 T HN 0.686 nan 8.240 nan 0.000 0.537 366 K N 0.479 120.878 120.400 -0.002 0.000 2.228 366 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 366 K C 1.401 178.000 176.600 -0.001 0.000 1.051 366 K CA 0.281 56.554 56.287 -0.024 0.000 0.960 366 K CB 0.039 32.540 32.500 0.001 0.000 0.743 366 K HN 0.572 nan 8.250 nan 0.000 0.458 367 S N 0.564 116.282 115.700 0.029 0.000 2.617 367 S HA 0.060 4.529 4.470 -0.000 0.000 0.269 367 S C 1.033 175.661 174.600 0.047 0.000 1.292 367 S CA -0.482 57.741 58.200 0.038 0.000 1.010 367 S CB 1.181 64.416 63.200 0.059 0.000 0.944 367 S HN 0.329 nan 8.310 nan 0.000 0.536 368 T N 0.659 115.242 114.554 0.047 0.000 3.069 368 T HA 0.317 4.666 4.350 -0.000 0.000 0.252 368 T C 0.703 175.442 174.700 0.064 0.000 1.053 368 T CA -0.162 61.967 62.100 0.049 0.000 0.964 368 T CB -0.170 68.722 68.868 0.040 0.000 1.005 368 T HN 0.543 nan 8.240 nan 0.000 0.532 369 N N 0.152 118.901 118.700 0.082 0.000 2.297 369 N HA 0.265 5.005 4.740 -0.000 0.000 0.208 369 N C -0.379 175.219 175.510 0.147 0.000 1.176 369 N CA -0.011 53.099 53.050 0.101 0.000 0.882 369 N CB 1.426 39.961 38.487 0.081 0.000 1.134 369 N HN 0.217 nan 8.380 nan 0.000 0.489 370 S N 0.000 115.803 115.700 0.171 0.000 2.570 370 S HA 0.413 4.883 4.470 -0.000 0.000 0.286 370 S C -0.193 174.574 174.600 0.277 0.000 1.099 370 S CA -0.675 57.678 58.200 0.255 0.000 0.913 370 S CB 2.175 65.558 63.200 0.305 0.000 1.085 370 S HN 0.053 nan 8.310 nan 0.000 0.480 371 R N 2.042 122.750 120.500 0.346 0.000 4.154 371 R HA 0.200 4.540 4.340 -0.000 0.000 0.186 371 R C -0.203 176.357 176.300 0.432 0.000 1.750 371 R CA -0.147 56.161 56.100 0.346 0.000 1.431 371 R CB -0.620 29.876 30.300 0.327 0.000 1.383 371 R HN 0.513 nan 8.270 nan 0.000 0.788 372 S N -0.596 115.288 115.700 0.306 0.000 2.513 372 S HA 0.780 5.250 4.470 -0.000 0.000 0.299 372 S C 0.347 175.022 174.600 0.125 0.000 1.087 372 S CA -0.338 57.964 58.200 0.171 0.000 1.012 372 S CB 2.368 65.513 63.200 -0.092 0.000 1.044 372 S HN 0.627 nan 8.310 nan 0.000 0.485 373 G N 0.849 109.723 108.800 0.123 0.000 2.846 373 G HA2 0.129 4.089 3.960 -0.000 0.000 0.660 373 G HA3 0.129 4.089 3.960 -0.000 0.000 0.660 373 G C -1.052 174.037 174.900 0.314 0.000 1.464 373 G CA -0.201 44.994 45.100 0.159 0.000 0.891 373 G HN 1.564 nan 8.290 nan 0.000 0.552 374 F N 0.503 120.510 119.950 0.094 0.000 2.703 374 F HA 0.633 5.160 4.527 -0.000 0.000 0.308 374 F C -0.602 175.236 175.800 0.063 0.000 1.126 374 F CA 0.077 58.129 58.000 0.087 0.000 0.959 374 F CB 1.803 40.898 39.000 0.159 0.000 1.297 374 F HN 1.108 nan 8.300 nan 0.000 0.441 375 E N 4.478 124.320 120.200 -0.597 0.000 2.390 375 E HA 0.482 4.831 4.350 -0.000 0.000 0.280 375 E C -2.005 174.309 176.600 -0.478 0.000 0.992 375 E CA -1.175 55.039 56.400 -0.310 0.000 0.790 375 E CB 2.198 31.782 29.700 -0.192 0.000 1.248 375 E HN 0.377 nan 8.360 nan 0.000 0.447 376 M N 2.479 121.977 119.600 -0.170 0.000 2.149 376 M HA 0.496 4.976 4.480 -0.000 0.000 0.342 376 M C -0.773 175.637 176.300 0.183 0.000 1.068 376 M CA -0.598 54.656 55.300 -0.076 0.000 0.991 376 M CB 0.604 33.154 32.600 -0.084 0.000 1.596 376 M HN 0.608 nan 8.290 nan 0.000 0.439 377 I N 2.295 122.909 120.570 0.074 0.000 2.509 377 I HA 0.377 4.547 4.170 -0.000 0.000 0.293 377 I C -0.894 175.164 176.117 -0.099 0.000 1.020 377 I CA -0.529 60.734 61.300 -0.061 0.000 1.088 377 I CB 2.290 39.991 38.000 -0.498 0.000 1.267 377 I HN 0.718 nan 8.210 nan 0.000 0.430 378 W N 7.589 128.564 121.300 -0.541 0.000 2.288 378 W HA 0.301 4.961 4.660 -0.000 0.000 0.325 378 W C -1.071 175.240 176.519 -0.346 0.000 1.019 378 W CA -0.523 56.260 57.345 -0.936 0.000 1.403 378 W CB 1.136 29.807 29.460 -1.315 0.000 1.226 378 W HN 0.459 nan 8.180 nan 0.000 0.391 379 D N 9.503 129.413 120.400 -0.817 0.000 2.473 379 D HA 0.271 4.911 4.640 -0.000 0.000 0.226 379 D C -2.151 173.497 176.300 -1.086 0.000 1.089 379 D CA -2.320 51.272 54.000 -0.679 0.000 0.883 379 D CB 1.466 42.055 40.800 -0.351 0.000 1.029 379 D HN 0.100 nan 8.370 nan 0.000 0.517 380 P HA 0.059 nan 4.420 nan 0.000 0.270 380 P C -0.357 176.681 177.300 -0.436 0.000 1.223 380 P CA -0.211 62.318 63.100 -0.951 0.000 0.785 380 P CB 0.441 31.871 31.700 -0.451 0.000 0.923 381 N N 0.259 118.814 118.700 -0.241 0.000 2.686 381 N HA -0.175 4.565 4.740 -0.000 0.000 0.261 381 N C 0.812 176.256 175.510 -0.111 0.000 1.001 381 N CA 1.365 54.353 53.050 -0.103 0.000 0.764 381 N CB -1.849 36.594 38.487 -0.073 0.000 0.898 381 N HN 0.837 nan 8.380 nan 0.000 0.544 382 G N -1.915 106.826 108.800 -0.099 0.000 3.873 382 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.232 382 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.232 382 G C 0.678 175.573 174.900 -0.009 0.000 1.097 382 G CA -0.004 45.033 45.100 -0.106 0.000 0.889 382 G HN 0.430 nan 8.290 nan 0.000 0.532 383 W N 2.584 123.819 121.300 -0.107 0.000 2.523 383 W HA 0.018 4.678 4.660 -0.000 0.000 0.278 383 W C 1.522 178.045 176.519 0.007 0.000 1.236 383 W CA 1.910 59.223 57.345 -0.053 0.000 1.306 383 W CB 0.233 29.650 29.460 -0.071 0.000 1.101 383 W HN 0.222 nan 8.180 nan 0.000 0.577 384 T N -2.643 112.021 114.554 0.184 0.000 2.959 384 T HA 0.138 4.488 4.350 -0.000 0.000 0.254 384 T C 0.334 175.068 174.700 0.056 0.000 1.003 384 T CA -0.052 62.130 62.100 0.137 0.000 0.950 384 T CB 0.457 69.441 68.868 0.194 0.000 1.090 384 T HN -0.268 nan 8.240 nan 0.000 0.503 385 E N 2.015 122.227 120.200 0.020 0.000 2.250 385 E HA 0.508 4.858 4.350 -0.000 0.000 0.265 385 E C -0.788 175.786 176.600 -0.043 0.000 1.033 385 E CA -0.411 55.982 56.400 -0.012 0.000 0.888 385 E CB 1.507 31.192 29.700 -0.026 0.000 1.151 385 E HN 0.120 nan 8.360 nan 0.000 0.412 386 T N 2.461 116.988 114.554 -0.045 0.000 2.770 386 T HA 0.453 4.803 4.350 -0.000 0.000 0.297 386 T C -0.674 173.978 174.700 -0.079 0.000 0.997 386 T CA -0.672 61.389 62.100 -0.066 0.000 0.949 386 T CB 0.566 69.408 68.868 -0.044 0.000 0.941 386 T HN 0.198 nan 8.240 nan 0.000 0.457 387 D N 0.943 121.274 120.400 -0.115 0.000 2.812 387 D HA 0.480 5.120 4.640 -0.000 0.000 0.318 387 D C 0.295 176.510 176.300 -0.142 0.000 1.234 387 D CA -0.607 53.329 54.000 -0.106 0.000 0.989 387 D CB 1.716 42.460 40.800 -0.093 0.000 1.442 387 D HN 0.318 nan 8.370 nan 0.000 0.537 388 S N -0.913 114.732 115.700 -0.092 0.000 2.649 388 S HA 0.086 4.556 4.470 -0.000 0.000 0.246 388 S C 0.509 175.138 174.600 0.048 0.000 1.057 388 S CA -0.318 57.841 58.200 -0.069 0.000 1.051 388 S CB 0.530 63.705 63.200 -0.041 0.000 1.018 388 S HN 0.478 nan 8.310 nan 0.000 0.569 389 S N 2.421 118.116 115.700 -0.009 0.000 2.562 389 S HA 0.765 5.235 4.470 -0.000 0.000 0.275 389 S C -0.434 174.181 174.600 0.026 0.000 1.281 389 S CA -0.680 57.494 58.200 -0.044 0.000 1.045 389 S CB 0.378 63.505 63.200 -0.121 0.000 0.962 389 S HN 0.398 nan 8.310 nan 0.000 0.503 390 F N -0.737 119.106 119.950 -0.178 0.000 2.711 390 F HA 0.710 5.237 4.527 -0.000 0.000 0.313 390 F C 0.572 176.275 175.800 -0.161 0.000 1.141 390 F CA -0.757 57.103 58.000 -0.232 0.000 0.941 390 F CB 0.876 39.731 39.000 -0.242 0.000 1.349 390 F HN 0.475 nan 8.300 nan 0.000 0.464 391 S N -0.496 115.154 115.700 -0.084 0.000 2.475 391 S HA 0.431 4.901 4.470 -0.000 0.000 0.224 391 S C 0.201 174.865 174.600 0.106 0.000 1.042 391 S CA 0.359 58.531 58.200 -0.046 0.000 0.935 391 S CB 0.297 63.524 63.200 0.044 0.000 0.801 391 S HN 0.472 nan 8.310 nan 0.000 0.509 395 Q N 3.848 123.831 119.800 0.305 0.000 2.310 395 Q HA 0.263 4.603 4.340 -0.000 0.000 0.270 395 Q C -1.176 174.970 176.000 0.243 0.000 1.025 395 Q CA -0.732 55.255 55.803 0.308 0.000 0.772 395 Q CB 1.422 30.403 28.738 0.405 0.000 1.253 395 Q HN 0.531 nan 8.270 nan 0.000 0.450 396 D N 4.091 124.642 120.400 0.251 0.000 2.372 396 D HA 0.176 4.816 4.640 -0.000 0.000 0.243 396 D C 0.575 177.085 176.300 0.351 0.000 1.121 396 D CA 0.335 54.480 54.000 0.241 0.000 0.898 396 D CB 1.346 42.273 40.800 0.212 0.000 1.202 396 D HN 0.645 nan 8.370 nan 0.000 0.428 397 I N -0.029 120.752 120.570 0.353 0.000 4.193 397 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 397 I C -0.236 176.203 176.117 0.537 0.000 1.175 397 I CA 0.259 61.866 61.300 0.512 0.000 1.320 397 I CB 0.983 39.243 38.000 0.434 0.000 1.523 397 I HN 0.058 nan 8.210 nan 0.000 0.450 398 V N 1.864 122.008 119.914 0.384 0.000 2.612 398 V HA 0.564 4.684 4.120 -0.000 0.000 0.301 398 V C -0.068 176.117 176.094 0.151 0.000 1.059 398 V CA -1.124 61.340 62.300 0.273 0.000 0.886 398 V CB 1.528 33.547 31.823 0.327 0.000 1.007 398 V HN 0.224 nan 8.190 nan 0.000 0.426 399 A N 4.598 127.448 122.820 0.050 0.000 2.555 399 A HA 0.326 4.646 4.320 -0.000 0.000 0.233 399 A C 1.296 178.872 177.584 -0.013 0.000 1.060 399 A CA 0.100 52.140 52.037 0.004 0.000 0.759 399 A CB -0.050 18.919 19.000 -0.051 0.000 0.995 399 A HN 0.885 nan 8.150 nan 0.000 0.506 400 I N 1.457 122.014 120.570 -0.021 0.000 2.502 400 I HA -0.258 3.912 4.170 -0.000 0.000 0.258 400 I C 2.266 178.300 176.117 -0.138 0.000 1.172 400 I CA 1.878 63.146 61.300 -0.053 0.000 1.430 400 I CB -0.935 37.041 38.000 -0.040 0.000 1.086 400 I HN 0.857 nan 8.210 nan 0.000 0.440 401 T N -3.448 111.019 114.554 -0.146 0.000 3.088 401 T HA 0.075 4.424 4.350 -0.000 0.000 0.259 401 T C 0.641 175.139 174.700 -0.335 0.000 1.122 401 T CA 0.086 62.058 62.100 -0.213 0.000 1.095 401 T CB -0.131 68.654 68.868 -0.139 0.000 0.930 401 T HN 0.159 nan 8.240 nan 0.000 0.508 402 D N 0.356 120.594 120.400 -0.270 0.000 2.228 402 D HA 0.314 4.954 4.640 -0.000 0.000 0.247 402 D C -0.797 175.341 176.300 -0.269 0.000 0.995 402 D CA -0.621 53.213 54.000 -0.276 0.000 0.903 402 D CB 1.250 42.005 40.800 -0.076 0.000 1.205 402 D HN 0.368 nan 8.370 nan 0.000 0.459 403 W N 1.066 122.416 121.300 0.084 0.000 2.202 403 W HA 0.223 4.883 4.660 -0.000 0.000 0.332 403 W C 1.357 177.957 176.519 0.135 0.000 1.263 403 W CA -0.280 57.124 57.345 0.099 0.000 1.223 403 W CB 0.686 30.189 29.460 0.071 0.000 1.128 403 W HN 0.302 nan 8.180 nan 0.000 0.573 404 S N 1.276 117.242 115.700 0.443 0.000 4.341 404 S HA 0.969 5.439 4.470 -0.000 0.000 0.223 404 S C 0.230 175.032 174.600 0.336 0.000 1.085 404 S CA -0.074 58.333 58.200 0.346 0.000 1.732 404 S CB 1.269 64.677 63.200 0.347 0.000 0.999 404 S HN 1.090 nan 8.310 nan 0.000 0.742 405 G N -0.430 108.565 108.800 0.324 0.000 2.491 405 G HA2 0.276 4.236 3.960 -0.000 0.000 0.183 405 G HA3 0.276 4.236 3.960 -0.000 0.000 0.183 405 G C -1.725 173.436 174.900 0.435 0.000 1.221 405 G CA -0.674 44.644 45.100 0.362 0.000 0.996 405 G HN 0.596 nan 8.290 nan 0.000 0.474 406 Y N 1.841 122.293 120.300 0.254 0.000 2.578 406 Y HA 0.463 5.013 4.550 -0.000 0.000 0.339 406 Y C 1.267 177.284 175.900 0.196 0.000 1.231 406 Y CA 0.032 58.301 58.100 0.281 0.000 1.461 406 Y CB 0.963 39.679 38.460 0.427 0.000 1.323 406 Y HN 0.782 nan 8.280 nan 0.000 0.590 407 S N 0.572 116.275 115.700 0.005 0.000 2.546 407 S HA 0.945 5.415 4.470 -0.000 0.000 0.274 407 S C -0.421 173.700 174.600 -0.798 0.000 1.121 407 S CA -0.417 57.495 58.200 -0.480 0.000 0.887 407 S CB 2.160 65.329 63.200 -0.052 0.000 1.094 407 S HN 0.981 nan 8.310 nan 0.000 0.474 408 G N 0.519 108.246 108.800 -1.788 0.000 2.682 408 G HA2 0.696 4.656 3.960 -0.000 0.000 0.290 408 G HA3 0.696 4.656 3.960 -0.000 0.000 0.290 408 G C -0.931 173.383 174.900 -0.976 0.000 1.425 408 G CA -0.477 44.071 45.100 -0.920 0.000 0.807 408 G HN 1.349 nan 8.290 nan 0.000 0.482 409 S N -1.060 114.423 115.700 -0.361 0.000 2.593 409 S HA 0.884 5.354 4.470 -0.000 0.000 0.297 409 S C -0.668 174.180 174.600 0.413 0.000 1.112 409 S CA -0.652 57.425 58.200 -0.205 0.000 1.043 409 S CB 1.443 64.480 63.200 -0.271 0.000 1.054 409 S HN 1.599 nan 8.310 nan 0.000 0.516 410 F N -0.676 119.460 119.950 0.311 0.000 2.662 410 F HA 0.895 5.422 4.527 -0.000 0.000 0.312 410 F C -1.031 174.935 175.800 0.277 0.000 1.113 410 F CA -1.176 57.043 58.000 0.364 0.000 0.951 410 F CB 0.570 39.836 39.000 0.444 0.000 1.344 410 F HN 0.523 nan 8.300 nan 0.000 0.462 411 V N 1.023 121.125 119.914 0.314 0.000 4.781 411 V HA 0.590 4.710 4.120 -0.000 0.000 0.288 411 V C 0.286 176.452 176.094 0.120 0.000 1.442 411 V CA 0.012 62.387 62.300 0.124 0.000 0.846 411 V CB 1.479 33.432 31.823 0.217 0.000 1.330 411 V HN 1.371 nan 8.190 nan 0.000 0.450 412 L N -1.139 120.117 121.223 0.055 0.000 2.614 412 L HA -0.198 4.142 4.340 -0.000 0.000 0.457 412 L C 1.051 177.935 176.870 0.024 0.000 0.720 412 L CA 2.477 57.340 54.840 0.039 0.000 2.903 412 L CB -1.654 40.431 42.059 0.044 0.000 0.873 412 L HN 0.694 nan 8.230 nan 0.000 0.686 413 T N -0.834 113.731 114.554 0.018 0.000 3.034 413 T HA 0.493 4.843 4.350 -0.000 0.000 0.248 413 T C 1.398 176.100 174.700 0.002 0.000 1.040 413 T CA 1.069 63.172 62.100 0.006 0.000 1.107 413 T CB 0.501 69.363 68.868 -0.010 0.000 0.932 413 T HN 1.338 nan 8.240 nan 0.000 0.474 414 G N 1.141 109.944 108.800 0.005 0.000 2.157 414 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 414 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 414 G C -0.056 174.841 174.900 -0.005 0.000 0.979 414 G CA -0.193 44.908 45.100 0.003 0.000 0.650 414 G HN 0.382 nan 8.290 nan 0.000 0.529 415 L N 1.835 123.051 121.223 -0.012 0.000 2.453 415 L HA 0.431 4.771 4.340 -0.000 0.000 0.261 415 L C 1.216 178.075 176.870 -0.018 0.000 1.179 415 L CA 0.200 55.027 54.840 -0.022 0.000 0.813 415 L CB 0.824 42.861 42.059 -0.036 0.000 1.110 415 L HN 0.343 nan 8.230 nan 0.000 0.466 416 D N 0.495 120.882 120.400 -0.022 0.000 2.561 416 D HA 0.127 4.767 4.640 -0.000 0.000 0.232 416 D C -0.321 175.965 176.300 -0.023 0.000 1.198 416 D CA -0.202 53.787 54.000 -0.018 0.000 0.826 416 D CB -0.150 40.641 40.800 -0.016 0.000 0.992 416 D HN 0.432 nan 8.370 nan 0.000 0.490 417 c N -2.020 116.562 118.600 -0.030 0.000 3.295 417 c HA 0.652 5.222 4.570 -0.000 0.000 0.341 417 c C -0.579 173.484 174.090 -0.046 0.000 1.418 417 c CA -1.296 55.010 56.329 -0.038 0.000 1.240 417 c CB 0.474 42.956 42.510 -0.046 0.000 1.562 417 c HN 0.140 nan 8.230 nan 0.000 0.457 418 I N 2.129 122.666 120.570 -0.054 0.000 2.325 418 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 418 I C 0.579 176.623 176.117 -0.121 0.000 1.019 418 I CA -0.147 61.118 61.300 -0.059 0.000 1.302 418 I CB 0.614 38.598 38.000 -0.027 0.000 1.401 418 I HN 0.510 nan 8.210 nan 0.000 0.485 419 R N 8.074 128.492 120.500 -0.137 0.000 2.370 419 R HA 0.251 4.591 4.340 -0.000 0.000 0.309 419 R C -2.362 173.749 176.300 -0.315 0.000 1.059 419 R CA -1.387 54.582 56.100 -0.218 0.000 0.981 419 R CB 0.758 30.937 30.300 -0.202 0.000 0.972 419 R HN 0.315 nan 8.270 nan 0.000 0.437 420 P HA 0.212 nan 4.420 nan 0.000 0.285 420 P C -0.625 176.467 177.300 -0.347 0.000 1.259 420 P CA -0.373 62.323 63.100 -0.673 0.000 0.794 420 P CB 1.155 32.126 31.700 -1.215 0.000 0.940 421 c N 3.592 121.993 118.600 -0.332 0.000 3.154 421 c HA 0.850 5.420 4.570 -0.000 0.000 0.312 421 c C -0.418 173.555 174.090 -0.195 0.000 1.349 421 c CA -0.293 55.765 56.329 -0.452 0.000 1.518 421 c CB 1.372 42.976 42.510 -1.511 0.000 1.934 421 c HN 0.740 nan 8.230 nan 0.000 0.462 422 F N -0.278 119.557 119.950 -0.192 0.000 2.693 422 F HA 0.844 5.371 4.527 -0.000 0.000 0.309 422 F C -1.538 174.464 175.800 0.336 0.000 1.129 422 F CA -1.148 56.744 58.000 -0.180 0.000 0.948 422 F CB 0.887 39.334 39.000 -0.922 0.000 1.315 422 F HN 0.813 nan 8.300 nan 0.000 0.447 423 W N 1.713 123.218 121.300 0.343 0.000 2.761 423 W HA 0.861 5.521 4.660 -0.000 0.000 0.340 423 W C -2.244 174.435 176.519 0.265 0.000 1.072 423 W CA -1.536 55.944 57.345 0.224 0.000 1.215 423 W CB 0.951 30.524 29.460 0.188 0.000 1.420 423 W HN 0.551 nan 8.180 nan 0.000 0.519 424 V N 1.478 121.667 119.914 0.459 0.000 2.823 424 V HA 0.321 4.441 4.120 -0.000 0.000 0.312 424 V C -0.442 175.925 176.094 0.454 0.000 1.072 424 V CA -0.877 61.574 62.300 0.252 0.000 0.937 424 V CB 1.965 33.757 31.823 -0.052 0.000 1.013 424 V HN 0.626 nan 8.190 nan 0.000 0.430 425 E N 3.453 123.923 120.200 0.449 0.000 2.151 425 E HA 0.517 4.867 4.350 -0.000 0.000 0.275 425 E C -1.516 175.254 176.600 0.283 0.000 0.936 425 E CA -0.629 56.013 56.400 0.403 0.000 0.777 425 E CB 1.432 31.433 29.700 0.501 0.000 1.108 425 E HN 0.641 nan 8.360 nan 0.000 0.401 426 L N 6.716 128.079 121.223 0.233 0.000 2.287 426 L HA 0.394 4.734 4.340 -0.000 0.000 0.280 426 L C -0.026 176.962 176.870 0.198 0.000 1.055 426 L CA -0.572 54.408 54.840 0.233 0.000 0.863 426 L CB 0.447 42.641 42.059 0.225 0.000 1.245 426 L HN 0.541 nan 8.230 nan 0.000 0.432 427 I N 4.016 124.696 120.570 0.184 0.000 2.496 427 I HA 0.216 4.386 4.170 -0.000 0.000 0.285 427 I C 0.255 176.363 176.117 -0.014 0.000 1.080 427 I CA -0.113 61.236 61.300 0.081 0.000 1.404 427 I CB 0.394 38.416 38.000 0.037 0.000 1.403 427 I HN 0.511 nan 8.210 nan 0.000 0.539 428 R N 4.118 124.576 120.500 -0.070 0.000 2.807 428 R HA 0.768 5.108 4.340 -0.000 0.000 0.276 428 R C 0.126 176.133 176.300 -0.489 0.000 0.979 428 R CA -0.429 55.525 56.100 -0.243 0.000 0.928 428 R CB 1.574 31.831 30.300 -0.072 0.000 1.191 428 R HN 0.897 nan 8.270 nan 0.000 0.471 429 G N 1.520 109.888 108.800 -0.720 0.000 2.466 429 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 429 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 429 G C -0.788 173.760 174.900 -0.586 0.000 1.237 429 G CA -0.651 43.916 45.100 -0.890 0.000 0.954 429 G HN 0.509 nan 8.290 nan 0.000 0.580 430 R N 1.625 121.841 120.500 -0.473 0.000 2.756 430 R HA 0.309 4.649 4.340 -0.000 0.000 0.264 430 R C -1.083 175.060 176.300 -0.261 0.000 1.026 430 R CA -0.173 55.740 56.100 -0.312 0.000 1.121 430 R CB 0.561 30.732 30.300 -0.214 0.000 0.999 430 R HN 0.454 nan 8.270 nan 0.000 0.449 431 P HA 0.030 nan 4.420 nan 0.000 0.261 431 P C -0.156 177.006 177.300 -0.231 0.000 1.268 431 P CA 0.550 63.536 63.100 -0.190 0.000 0.833 431 P CB 0.581 32.210 31.700 -0.118 0.000 1.231 432 K N 0.243 120.417 120.400 -0.376 0.000 2.361 432 K HA 0.151 4.470 4.320 -0.000 0.000 0.196 432 K C 0.850 177.242 176.600 -0.347 0.000 1.039 432 K CA 0.602 56.623 56.287 -0.443 0.000 1.001 432 K CB 0.675 32.580 32.500 -0.991 0.000 0.795 432 K HN 0.412 nan 8.250 nan 0.000 0.495 436 T N -0.768 113.597 114.554 -0.314 0.000 2.883 436 T HA 0.762 5.112 4.350 -0.000 0.000 0.284 436 T C 1.110 175.640 174.700 -0.283 0.000 1.041 436 T CA -0.603 61.264 62.100 -0.388 0.000 1.007 436 T CB 0.930 69.206 68.868 -0.987 0.000 1.220 436 T HN 0.877 nan 8.240 nan 0.000 0.552 437 I N -2.302 118.184 120.570 -0.140 0.000 3.956 437 I HA 0.460 4.630 4.170 -0.000 0.000 0.333 437 I C -0.016 176.162 176.117 0.101 0.000 1.302 437 I CA -0.916 60.397 61.300 0.021 0.000 1.122 437 I CB -0.036 38.041 38.000 0.129 0.000 1.013 437 I HN 0.595 nan 8.210 nan 0.000 0.405 438 W N 0.311 121.573 121.300 -0.064 0.000 3.032 438 W HA 0.717 5.377 4.660 -0.000 0.000 0.341 438 W C -1.456 175.005 176.519 -0.096 0.000 1.202 438 W CA -1.075 56.231 57.345 -0.065 0.000 1.132 438 W CB 0.569 29.995 29.460 -0.057 0.000 1.465 438 W HN -0.304 nan 8.180 nan 0.000 0.576 439 T N 1.747 116.443 114.554 0.236 0.000 2.881 439 T HA 0.513 4.863 4.350 -0.000 0.000 0.290 439 T C -1.132 173.735 174.700 0.278 0.000 1.000 439 T CA -0.359 61.800 62.100 0.098 0.000 0.978 439 T CB 1.936 70.796 68.868 -0.013 0.000 0.997 439 T HN 0.529 nan 8.240 nan 0.000 0.443 440 S N 0.872 116.743 115.700 0.286 0.000 2.565 440 S HA 0.827 5.297 4.470 -0.000 0.000 0.269 440 S C -0.936 173.754 174.600 0.151 0.000 1.153 440 S CA -0.591 57.740 58.200 0.219 0.000 0.835 440 S CB 1.654 64.991 63.200 0.227 0.000 1.122 440 S HN 1.082 nan 8.310 nan 0.000 0.462 441 G N 1.122 109.975 108.800 0.088 0.000 2.571 441 G HA2 0.619 4.579 3.960 -0.000 0.000 0.304 441 G HA3 0.619 4.579 3.960 -0.000 0.000 0.304 441 G C -1.032 173.901 174.900 0.056 0.000 1.314 441 G CA -0.381 44.772 45.100 0.088 0.000 0.975 441 G HN 0.658 nan 8.290 nan 0.000 0.485 442 S N -0.511 115.241 115.700 0.087 0.000 2.687 442 S HA 0.787 5.256 4.470 -0.000 0.000 0.283 442 S C 0.335 174.988 174.600 0.088 0.000 1.170 442 S CA -0.527 57.711 58.200 0.064 0.000 1.008 442 S CB 1.485 64.742 63.200 0.094 0.000 1.026 442 S HN 1.122 nan 8.310 nan 0.000 0.541 443 S N 0.841 116.576 115.700 0.057 0.000 2.568 443 S HA 0.831 5.301 4.470 -0.000 0.000 0.293 443 S C -0.678 173.968 174.600 0.078 0.000 1.089 443 S CA -0.920 57.339 58.200 0.098 0.000 0.945 443 S CB 0.854 64.070 63.200 0.027 0.000 1.077 443 S HN 0.743 nan 8.310 nan 0.000 0.485 444 I N -0.705 119.934 120.570 0.116 0.000 2.686 444 I HA 0.845 5.015 4.170 -0.000 0.000 0.295 444 I C -0.704 175.387 176.117 -0.043 0.000 1.114 444 I CA -0.838 60.453 61.300 -0.014 0.000 1.038 444 I CB 2.330 40.365 38.000 0.059 0.000 1.238 444 I HN 0.806 nan 8.210 nan 0.000 0.420 445 S N 3.441 118.967 115.700 -0.289 0.000 2.632 445 S HA 0.867 5.337 4.470 -0.000 0.000 0.289 445 S C -1.100 173.124 174.600 -0.626 0.000 1.115 445 S CA -0.588 57.517 58.200 -0.157 0.000 0.889 445 S CB 1.918 65.272 63.200 0.256 0.000 1.116 445 S HN 0.588 nan 8.310 nan 0.000 0.486 446 F N -1.044 118.686 119.950 -0.367 0.000 2.664 446 F HA 0.770 5.297 4.527 -0.000 0.000 0.317 446 F C -0.279 175.429 175.800 -0.154 0.000 1.108 446 F CA -1.006 56.843 58.000 -0.251 0.000 0.957 446 F CB 1.617 40.422 39.000 -0.324 0.000 1.365 446 F HN 0.794 nan 8.300 nan 0.000 0.475 447 c N 0.520 119.231 118.600 0.185 0.000 2.797 447 c HA 0.618 5.188 4.570 -0.000 0.000 0.306 447 c C 1.459 175.516 174.090 -0.057 0.000 1.207 447 c CA -0.319 56.017 56.329 0.012 0.000 1.507 447 c CB 1.189 43.565 42.510 -0.224 0.000 2.028 447 c HN 1.097 nan 8.230 nan 0.000 0.475 448 G N 1.364 109.947 108.800 -0.362 0.000 2.940 448 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.215 448 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.215 448 G C 0.349 174.852 174.900 -0.661 0.000 1.322 448 G CA 1.838 46.418 45.100 -0.866 0.000 0.781 448 G HN 1.560 nan 8.290 nan 0.000 0.728 449 V N -0.653 119.011 119.914 -0.416 0.000 3.401 449 V HA -0.183 3.937 4.120 -0.000 0.000 0.488 449 V C 0.857 176.774 176.094 -0.296 0.000 0.682 449 V CA 0.572 62.699 62.300 -0.288 0.000 2.033 449 V CB -1.085 30.615 31.823 -0.205 0.000 2.477 449 V HN 0.747 nan 8.190 nan 0.000 0.503 450 N N 1.419 119.995 118.700 -0.206 0.000 2.216 450 N HA -0.025 4.715 4.740 -0.000 0.000 0.183 450 N C 1.111 176.541 175.510 -0.132 0.000 1.017 450 N CA 1.220 54.166 53.050 -0.172 0.000 0.861 450 N CB -0.026 38.387 38.487 -0.123 0.000 0.986 450 N HN 0.996 nan 8.380 nan 0.000 0.428 451 S N -0.181 115.457 115.700 -0.102 0.000 2.650 451 S HA 0.087 4.557 4.470 -0.000 0.000 0.251 451 S C 0.111 174.676 174.600 -0.059 0.000 1.325 451 S CA -0.440 57.721 58.200 -0.065 0.000 0.967 451 S CB 0.341 63.514 63.200 -0.044 0.000 1.000 451 S HN 0.158 nan 8.310 nan 0.000 0.584 452 D N -1.331 119.056 120.400 -0.023 0.000 2.384 452 D HA 0.718 5.358 4.640 -0.000 0.000 0.250 452 D C -0.059 176.260 176.300 0.032 0.000 1.029 452 D CA -0.278 53.722 54.000 -0.000 0.000 0.990 452 D CB 1.748 42.559 40.800 0.018 0.000 1.175 452 D HN 0.629 nan 8.370 nan 0.000 0.532 453 T N -0.945 113.653 114.554 0.073 0.000 2.550 453 T HA 0.717 5.067 4.350 -0.000 0.000 0.256 453 T C -0.977 173.823 174.700 0.165 0.000 0.866 453 T CA -0.611 61.569 62.100 0.134 0.000 1.163 453 T CB 0.804 69.783 68.868 0.185 0.000 1.460 453 T HN 0.249 nan 8.240 nan 0.000 0.498 454 V N -0.409 119.656 119.914 0.251 0.000 3.077 454 V HA 0.714 4.834 4.120 -0.000 0.000 0.299 454 V C 0.168 176.494 176.094 0.388 0.000 1.276 454 V CA -1.206 61.243 62.300 0.248 0.000 0.993 454 V CB 1.586 33.502 31.823 0.156 0.000 1.076 454 V HN 1.181 nan 8.190 nan 0.000 0.434 455 G N 0.392 109.390 108.800 0.330 0.000 2.507 455 G HA2 0.585 4.545 3.960 -0.000 0.000 0.271 455 G HA3 0.585 4.545 3.960 -0.000 0.000 0.271 455 G C -1.292 173.857 174.900 0.414 0.000 1.189 455 G CA 0.110 45.448 45.100 0.398 0.000 0.859 455 G HN 0.896 nan 8.290 nan 0.000 0.542 456 W N -0.860 120.499 121.300 0.099 0.000 2.643 456 W HA 0.525 5.185 4.660 -0.000 0.000 0.453 456 W C -1.131 175.267 176.519 -0.202 0.000 0.954 456 W CA -0.733 56.471 57.345 -0.236 0.000 1.247 456 W CB 0.782 29.805 29.460 -0.728 0.000 1.433 456 W HN 0.766 nan 8.180 nan 0.000 0.624 457 S N 1.552 116.818 115.700 -0.723 0.000 2.647 457 S HA 0.554 5.023 4.470 -0.000 0.000 0.300 457 S C -1.506 172.729 174.600 -0.608 0.000 1.129 457 S CA -0.419 57.526 58.200 -0.425 0.000 1.029 457 S CB 0.364 63.315 63.200 -0.416 0.000 1.007 457 S HN 0.334 nan 8.310 nan 0.000 0.484 458 W N 6.720 128.037 121.300 0.029 0.000 1.993 458 W HA 0.280 4.940 4.660 -0.000 0.000 0.288 458 W C -2.480 174.081 176.519 0.070 0.000 0.844 458 W CA -1.820 55.552 57.345 0.045 0.000 2.039 458 W CB 0.610 30.201 29.460 0.219 0.000 2.270 458 W HN 0.540 nan 8.180 nan 0.000 0.389 459 P HA -0.090 nan 4.420 nan 0.000 0.272 459 P C 0.734 178.128 177.300 0.156 0.000 1.254 459 P CA 0.492 63.671 63.100 0.132 0.000 0.795 459 P CB 1.507 33.228 31.700 0.035 0.000 1.022 460 D N -0.114 120.387 120.400 0.167 0.000 2.084 460 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 460 D C 1.461 177.846 176.300 0.142 0.000 0.990 460 D CA 2.363 56.463 54.000 0.167 0.000 0.826 460 D CB -0.736 40.181 40.800 0.194 0.000 0.971 460 D HN 0.673 nan 8.370 nan 0.000 0.453 461 G N -0.639 108.240 108.800 0.132 0.000 2.176 461 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.253 461 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.253 461 G C 0.382 175.370 174.900 0.147 0.000 0.979 461 G CA 0.488 45.656 45.100 0.114 0.000 0.641 461 G HN 0.784 nan 8.290 nan 0.000 0.530 462 A N 0.003 122.941 122.820 0.196 0.000 2.371 462 A HA 0.644 4.964 4.320 -0.000 0.000 0.257 462 A C 0.321 178.064 177.584 0.265 0.000 1.089 462 A CA 0.013 52.214 52.037 0.274 0.000 0.794 462 A CB 0.366 19.596 19.000 0.384 0.000 1.029 462 A HN 0.474 nan 8.150 nan 0.000 0.488 463 E N 1.454 121.834 120.200 0.300 0.000 2.130 463 E HA 0.432 4.782 4.350 -0.000 0.000 0.284 463 E C -0.941 175.869 176.600 0.351 0.000 1.018 463 E CA -0.041 56.509 56.400 0.250 0.000 0.817 463 E CB 0.939 30.746 29.700 0.178 0.000 1.078 463 E HN 0.525 nan 8.360 nan 0.000 0.396 464 L N 4.286 125.650 121.223 0.234 0.000 2.352 464 L HA 0.526 4.866 4.340 -0.000 0.000 0.269 464 L C -1.550 175.407 176.870 0.145 0.000 1.034 464 L CA -2.011 52.944 54.840 0.192 0.000 0.806 464 L CB 0.651 42.703 42.059 -0.012 0.000 1.244 464 L HN 0.448 nan 8.230 nan 0.000 0.447 465 P HA 0.299 nan 4.420 nan 0.000 0.276 465 P C -0.932 176.635 177.300 0.444 0.000 1.261 465 P CA -0.410 62.807 63.100 0.195 0.000 0.800 465 P CB 0.834 32.602 31.700 0.114 0.000 1.066 466 F N -0.390 119.717 119.950 0.263 0.000 2.348 466 F HA 0.141 4.668 4.527 -0.000 0.000 0.308 466 F C 2.219 178.106 175.800 0.145 0.000 1.175 466 F CA -0.889 57.243 58.000 0.220 0.000 1.080 466 F CB -0.885 38.280 39.000 0.275 0.000 1.341 466 F HN 0.239 nan 8.300 nan 0.000 0.518 467 T N 1.423 116.112 114.554 0.225 0.000 2.996 467 T HA 0.018 4.368 4.350 -0.000 0.000 0.271 467 T C 0.656 175.446 174.700 0.151 0.000 1.126 467 T CA 0.939 63.109 62.100 0.116 0.000 1.103 467 T CB -0.734 68.151 68.868 0.028 0.000 0.870 467 T HN 0.351 nan 8.240 nan 0.000 0.528 468 I N 0.000 120.720 120.570 0.250 0.000 2.984 468 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 468 I CA 0.000 61.451 61.300 0.252 0.000 1.566 468 I CB 0.000 38.103 38.000 0.172 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494