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 2wd9_1_C DATA FIRST_RESID 34 DATA SEQUENCE QWGHQEVPAK FNFASDVLDH WADMEKAGKR PPSPALWWVN GKGKELMWNF DATA SEQUENCE RELSENSQQA ANVLSGACGL QRGDRVAVVL PRVPEWWLVI LGCIRAGLIF DATA SEQUENCE MPGTIQMKST DILYRLQMSK AKAIVAGDEV IQEVDTVASE CPSLRIKLLV DATA SEQUENCE SEKSCDGWLN FKKLLNEAST THHCVETGSQ EASAIYFTSG TSGLPKMAEH DATA SEQUENCE SYSSLGLKAK MDAGWTGLQA SDIMWTISDT GWILNILCSL MEPWALGACT DATA SEQUENCE FVHLLPKFDP LVILKTLSSY PIKSMMGAPI VYRMLLQQDL SSYKFPHLQN DATA SEQUENCE CVTVGESLLP ETLENWRAQT GLDIRESYGQ TETGLTCMVS KTMKIKPGYM DATA SEQUENCE GTAASCYDVQ IIDDKGNVLP PGTEGDIGIR VKPIRPIGIF SGYVDNPDKT DATA SEQUENCE AANIRGDFWL LGDRGIKDED GYFQFMGRAD DIINSSGYRI GPSEVENALM DATA SEQUENCE EHPAVVETAV ISSPDPVRGE VVKAFVVLAS QFLSHDPEQL TKELQQHVKS DATA SEQUENCE VTAPYKYPRK IEFVLNLPKT VTGKIQRAKL RDKEWK 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 34 Q HA 0.000 nan 4.340 nan 0.000 0.214 34 Q C 0.000 176.154 176.000 0.256 0.000 1.003 34 Q CA 0.000 55.931 55.803 0.213 0.000 1.022 34 Q CB 0.000 28.809 28.738 0.119 0.000 1.108 35 W N 0.749 122.029 121.300 -0.034 0.000 2.323 35 W HA -0.293 4.369 4.660 0.003 0.000 0.261 35 W C 1.147 177.617 176.519 -0.082 0.000 1.029 35 W CA 1.714 59.023 57.345 -0.060 0.000 0.499 35 W CB -1.196 28.223 29.460 -0.068 0.000 2.045 35 W HN 2.339 nan 8.180 nan 0.000 1.374 36 G N 0.824 109.630 108.800 0.010 0.000 2.561 36 G HA2 -0.275 3.685 3.960 0.001 0.000 0.451 36 G HA3 -0.275 3.685 3.960 0.001 0.000 0.451 36 G C -0.202 174.667 174.900 -0.052 0.000 1.381 36 G CA 2.099 47.134 45.100 -0.108 0.000 0.942 36 G HN 1.107 nan 8.290 nan 0.000 0.518 37 H N -2.443 116.592 119.070 -0.058 0.000 2.927 37 H HA 0.856 5.412 4.556 0.000 0.000 0.316 37 H C -0.253 175.022 175.328 -0.089 0.000 1.403 37 H CA -0.900 55.117 56.048 -0.052 0.000 1.288 37 H CB 0.954 30.700 29.762 -0.025 0.000 1.944 37 H HN 0.689 nan 8.280 nan 0.000 0.629 38 Q N -0.523 119.349 119.800 0.120 0.000 2.451 38 Q HA 0.279 4.619 4.340 0.001 0.000 0.281 38 Q C -0.914 175.129 176.000 0.072 0.000 1.099 38 Q CA -0.856 54.963 55.803 0.027 0.000 0.806 38 Q CB 2.728 31.451 28.738 -0.025 0.000 1.419 38 Q HN 0.732 nan 8.270 nan 0.000 0.427 39 E N 1.259 121.477 120.200 0.030 0.000 2.462 39 E HA 0.151 4.501 4.350 0.001 0.000 0.255 39 E C -0.106 176.499 176.600 0.009 0.000 1.311 39 E CA -0.162 56.255 56.400 0.029 0.000 1.629 39 E CB 0.509 30.222 29.700 0.021 0.000 1.510 39 E HN 0.326 nan 8.360 nan 0.000 0.438 40 V N -1.761 118.159 119.914 0.010 0.000 3.109 40 V HA 0.544 4.664 4.120 0.001 0.000 0.317 40 V C -1.903 174.205 176.094 0.023 0.000 1.074 40 V CA -2.033 60.270 62.300 0.006 0.000 1.033 40 V CB 0.486 32.313 31.823 0.006 0.000 1.111 40 V HN 0.079 nan 8.190 nan 0.000 0.458 41 P HA 0.284 nan 4.420 nan 0.000 0.271 41 P C 0.744 178.084 177.300 0.066 0.000 1.233 41 P CA 0.231 63.366 63.100 0.058 0.000 0.789 41 P CB 0.877 32.634 31.700 0.095 0.000 0.951 42 A N 2.173 125.026 122.820 0.055 0.000 1.883 42 A HA -0.124 4.196 4.320 0.001 0.000 0.217 42 A C 0.931 178.557 177.584 0.069 0.000 1.186 42 A CA 1.443 53.509 52.037 0.049 0.000 0.624 42 A CB -0.424 18.594 19.000 0.030 0.000 0.822 42 A HN 0.617 nan 8.150 nan 0.000 0.444 43 K N -2.494 117.958 120.400 0.086 0.000 2.375 43 K HA 0.662 4.983 4.320 0.001 0.000 0.249 43 K C -1.796 174.922 176.600 0.197 0.000 0.942 43 K CA -0.460 55.881 56.287 0.091 0.000 0.806 43 K CB 2.325 34.839 32.500 0.024 0.000 1.227 43 K HN 0.227 nan 8.250 nan 0.000 0.430 44 F N 1.344 121.298 119.950 0.007 0.000 2.672 44 F HA 0.331 4.858 4.527 0.000 0.000 0.311 44 F C -1.804 174.028 175.800 0.053 0.000 1.113 44 F CA -0.592 57.438 58.000 0.051 0.000 0.996 44 F CB 1.873 40.939 39.000 0.111 0.000 1.286 44 F HN 0.466 nan 8.300 nan 0.000 0.441 45 N N 5.303 123.573 118.700 -0.716 0.000 2.542 45 N HA 0.120 4.860 4.740 0.001 0.000 0.288 45 N C -0.250 175.015 175.510 -0.409 0.000 1.115 45 N CA -0.335 52.544 53.050 -0.285 0.000 0.924 45 N CB 1.234 39.599 38.487 -0.202 0.000 1.526 45 N HN 0.722 nan 8.380 nan 0.000 0.515 46 F N 3.857 123.782 119.950 -0.041 0.000 2.161 46 F HA -0.094 4.434 4.527 0.001 0.000 0.300 46 F C 2.074 177.921 175.800 0.078 0.000 1.089 46 F CA 2.161 60.225 58.000 0.107 0.000 1.282 46 F CB 0.234 39.445 39.000 0.353 0.000 1.010 46 F HN 0.687 nan 8.300 nan 0.000 0.485 47 A N -0.441 122.501 122.820 0.203 0.000 1.855 47 A HA -0.175 4.146 4.320 0.001 0.000 0.215 47 A C 2.359 179.932 177.584 -0.017 0.000 1.191 47 A CA 2.174 54.294 52.037 0.138 0.000 0.613 47 A CB -1.327 17.766 19.000 0.155 0.000 0.829 47 A HN 0.480 nan 8.150 nan 0.000 0.442 48 S N -0.284 115.373 115.700 -0.072 0.000 2.388 48 S HA -0.090 4.381 4.470 0.001 0.000 0.223 48 S C 1.248 175.745 174.600 -0.172 0.000 1.034 48 S CA 1.224 59.366 58.200 -0.096 0.000 0.963 48 S CB -0.432 62.715 63.200 -0.087 0.000 0.827 48 S HN 0.431 nan 8.310 nan 0.000 0.481 49 D N 0.680 120.900 120.400 -0.300 0.000 2.317 49 D HA 0.183 4.823 4.640 0.001 0.000 0.211 49 D C 1.671 177.780 176.300 -0.317 0.000 0.966 49 D CA 0.456 54.253 54.000 -0.339 0.000 0.876 49 D CB 0.381 40.851 40.800 -0.550 0.000 0.927 49 D HN 0.402 nan 8.370 nan 0.000 0.519 50 V N -0.212 119.476 119.914 -0.378 0.000 3.134 50 V HA 0.028 4.148 4.120 0.001 0.000 0.222 50 V C 1.811 177.765 176.094 -0.233 0.000 1.247 50 V CA -0.024 62.036 62.300 -0.400 0.000 1.281 50 V CB -0.075 31.285 31.823 -0.771 0.000 1.169 50 V HN 0.030 nan 8.190 nan 0.000 0.512 51 L N 0.867 121.987 121.223 -0.172 0.000 2.017 51 L HA -0.106 4.234 4.340 0.001 0.000 0.208 51 L C 1.892 178.813 176.870 0.085 0.000 1.073 51 L CA 2.216 57.120 54.840 0.107 0.000 0.745 51 L CB -0.807 41.348 42.059 0.159 0.000 0.894 51 L HN 0.313 nan 8.230 nan 0.000 0.432 52 D N -1.763 118.637 120.400 -0.000 0.000 2.264 52 D HA -0.198 4.443 4.640 0.001 0.000 0.208 52 D C 1.921 178.192 176.300 -0.049 0.000 0.966 52 D CA 1.189 55.185 54.000 -0.007 0.000 0.864 52 D CB -0.065 40.724 40.800 -0.018 0.000 0.933 52 D HN 0.605 nan 8.370 nan 0.000 0.499 53 H N -0.835 118.097 119.070 -0.231 0.000 2.293 53 H HA -0.140 4.416 4.556 0.001 0.000 0.300 53 H C 1.835 176.964 175.328 -0.330 0.000 1.082 53 H CA 1.869 57.700 56.048 -0.360 0.000 1.308 53 H CB -0.497 28.907 29.762 -0.596 0.000 1.375 53 H HN 0.184 nan 8.280 nan 0.000 0.495 54 W N 0.518 121.656 121.300 -0.270 0.000 2.374 54 W HA -0.059 4.601 4.660 0.000 0.000 0.288 54 W C 2.849 179.210 176.519 -0.264 0.000 1.218 54 W CA 0.795 57.874 57.345 -0.442 0.000 1.245 54 W CB -0.225 28.766 29.460 -0.781 0.000 1.126 54 W HN 0.357 nan 8.180 nan 0.000 0.545 55 A N 0.475 123.356 122.820 0.101 0.000 1.877 55 A HA -0.217 4.103 4.320 0.001 0.000 0.216 55 A C 1.685 179.272 177.584 0.006 0.000 1.186 55 A CA 2.031 54.126 52.037 0.097 0.000 0.620 55 A CB -0.900 18.152 19.000 0.086 0.000 0.822 55 A HN 0.120 nan 8.150 nan 0.000 0.443 56 D N -0.484 119.877 120.400 -0.065 0.000 2.218 56 D HA -0.127 4.514 4.640 0.001 0.000 0.204 56 D C 1.963 178.197 176.300 -0.109 0.000 0.976 56 D CA 0.955 54.904 54.000 -0.085 0.000 0.853 56 D CB -0.247 40.493 40.800 -0.101 0.000 0.939 56 D HN 0.325 nan 8.370 nan 0.000 0.481 57 M N 0.396 119.891 119.600 -0.175 0.000 2.117 57 M HA -0.104 4.376 4.480 0.001 0.000 0.262 57 M C 1.963 178.243 176.300 -0.034 0.000 1.065 57 M CA 1.211 56.431 55.300 -0.133 0.000 1.114 57 M CB -0.657 31.852 32.600 -0.153 0.000 1.361 57 M HN 0.091 nan 8.290 nan 0.000 0.408 58 E N 0.230 120.431 120.200 0.002 0.000 2.047 58 E HA -0.163 4.187 4.350 0.001 0.000 0.191 58 E C 2.087 178.697 176.600 0.016 0.000 0.987 58 E CA 1.011 57.430 56.400 0.031 0.000 0.799 58 E CB -0.077 29.665 29.700 0.070 0.000 0.752 58 E HN 0.484 nan 8.360 nan 0.000 0.449 59 K N 0.651 121.056 120.400 0.008 0.000 2.044 59 K HA -0.133 4.187 4.320 0.001 0.000 0.210 59 K C 2.027 178.625 176.600 -0.003 0.000 1.049 59 K CA 1.348 57.637 56.287 0.003 0.000 0.927 59 K CB -0.157 32.343 32.500 -0.001 0.000 0.713 59 K HN 0.040 nan 8.250 nan 0.000 0.443 60 A N 0.050 122.862 122.820 -0.014 0.000 2.235 60 A HA 0.154 4.474 4.320 0.001 0.000 0.208 60 A C 1.492 179.072 177.584 -0.007 0.000 1.172 60 A CA 0.978 53.007 52.037 -0.014 0.000 0.786 60 A CB -0.450 18.535 19.000 -0.025 0.000 0.804 60 A HN 0.492 nan 8.150 nan 0.000 0.479 61 G N -0.299 108.500 108.800 -0.002 0.000 2.212 61 G HA2 -0.357 3.604 3.960 0.001 0.000 0.266 61 G HA3 -0.357 3.604 3.960 0.001 0.000 0.266 61 G C 0.988 175.892 174.900 0.008 0.000 0.978 61 G CA 0.887 45.990 45.100 0.005 0.000 0.632 61 G HN 0.558 nan 8.290 nan 0.000 0.537 62 K N -0.382 120.019 120.400 0.002 0.000 2.442 62 K HA 0.047 4.368 4.320 0.001 0.000 0.198 62 K C 1.304 177.919 176.600 0.025 0.000 1.044 62 K CA 0.945 57.237 56.287 0.008 0.000 0.948 62 K CB 0.154 32.651 32.500 -0.005 0.000 0.762 62 K HN 0.494 nan 8.250 nan 0.000 0.472 63 R N 0.330 120.847 120.500 0.027 0.000 2.707 63 R HA 0.253 4.593 4.340 0.001 0.000 0.272 63 R C -2.956 173.367 176.300 0.039 0.000 1.011 63 R CA -1.985 54.141 56.100 0.043 0.000 0.893 63 R CB 1.739 32.079 30.300 0.066 0.000 1.233 63 R HN -0.245 nan 8.270 nan 0.000 0.464 64 P HA 0.254 nan 4.420 nan 0.000 0.274 64 P C -2.641 174.691 177.300 0.053 0.000 1.246 64 P CA -1.589 61.533 63.100 0.037 0.000 0.795 64 P CB 0.169 31.887 31.700 0.031 0.000 1.006 65 P HA 0.071 nan 4.420 nan 0.000 0.260 65 P C -0.674 176.672 177.300 0.077 0.000 1.207 65 P CA 0.768 63.907 63.100 0.065 0.000 0.780 65 P CB -0.122 31.597 31.700 0.031 0.000 0.789 66 S N 5.946 121.738 115.700 0.153 0.000 2.509 66 S HA 0.536 5.006 4.470 0.001 0.000 0.297 66 S C -2.495 172.210 174.600 0.175 0.000 1.118 66 S CA -1.692 56.613 58.200 0.176 0.000 1.074 66 S CB 0.865 64.190 63.200 0.210 0.000 1.038 66 S HN 0.232 nan 8.310 nan 0.000 0.498 67 P HA 0.309 nan 4.420 nan 0.000 0.276 67 P C -0.158 177.092 177.300 -0.083 0.000 1.235 67 P CA -0.188 62.910 63.100 -0.003 0.000 0.772 67 P CB 0.832 32.541 31.700 0.016 0.000 0.871 68 A N 3.871 126.463 122.820 -0.380 0.000 1.984 68 A HA 0.250 4.570 4.320 0.001 0.000 0.203 68 A C 0.250 177.873 177.584 0.064 0.000 1.292 68 A CA 0.841 52.447 52.037 -0.718 0.000 0.782 68 A CB -0.163 17.762 19.000 -1.790 0.000 0.924 68 A HN 0.483 nan 8.150 nan 0.000 0.475 69 L N -0.994 120.306 121.223 0.128 0.000 2.441 69 L HA 0.625 4.965 4.340 0.001 0.000 0.270 69 L C -2.070 174.992 176.870 0.320 0.000 0.973 69 L CA -0.529 54.480 54.840 0.283 0.000 0.842 69 L CB 1.792 44.030 42.059 0.298 0.000 1.239 69 L HN 0.329 nan 8.230 nan 0.000 0.406 70 W N 6.863 128.162 121.300 -0.003 0.000 2.336 70 W HA 0.397 5.057 4.660 0.000 0.000 0.315 70 W C -1.833 174.448 176.519 -0.396 0.000 1.016 70 W CA -1.694 55.582 57.345 -0.115 0.000 1.318 70 W CB 1.198 30.634 29.460 -0.039 0.000 1.247 70 W HN 0.693 nan 8.180 nan 0.000 0.414 71 W N 8.204 129.484 121.300 -0.034 0.000 2.551 71 W HA 0.597 5.257 4.660 0.001 0.000 0.330 71 W C -1.059 175.265 176.519 -0.326 0.000 1.063 71 W CA -0.680 56.476 57.345 -0.315 0.000 1.222 71 W CB 1.293 30.687 29.460 -0.110 0.000 1.349 71 W HN 0.276 nan 8.180 nan 0.000 0.536 72 V N 4.633 123.562 119.914 -1.643 0.000 3.012 72 V HA 0.497 4.617 4.120 0.001 0.000 0.307 72 V C -0.285 174.641 176.094 -1.946 0.000 1.166 72 V CA -0.674 60.687 62.300 -1.566 0.000 0.974 72 V CB 2.050 33.272 31.823 -1.002 0.000 1.040 72 V HN 0.804 nan 8.190 nan 0.000 0.428 73 N N 1.759 119.595 118.700 -1.440 0.000 2.220 73 N HA 0.305 5.046 4.740 0.001 0.000 0.195 73 N C 1.260 176.466 175.510 -0.508 0.000 1.123 73 N CA 0.957 53.477 53.050 -0.884 0.000 0.874 73 N CB 1.082 39.316 38.487 -0.422 0.000 0.995 73 N HN 2.102 nan 8.380 nan 0.000 0.498 74 G N 0.620 109.115 108.800 -0.508 0.000 2.195 74 G HA2 -0.293 3.667 3.960 0.001 0.000 0.246 74 G HA3 -0.293 3.667 3.960 0.001 0.000 0.246 74 G C 0.457 175.330 174.900 -0.044 0.000 0.984 74 G CA 0.371 45.403 45.100 -0.112 0.000 0.633 74 G HN 0.446 nan 8.290 nan 0.000 0.525 75 K N 0.119 120.471 120.400 -0.081 0.000 2.593 75 K HA 0.465 4.785 4.320 0.001 0.000 0.208 75 K C 1.561 178.146 176.600 -0.025 0.000 1.051 75 K CA 0.325 56.596 56.287 -0.026 0.000 1.111 75 K CB 0.497 32.994 32.500 -0.005 0.000 0.849 75 K HN 1.201 nan 8.250 nan 0.000 0.479 76 G N 1.765 110.541 108.800 -0.040 0.000 2.175 76 G HA2 -0.295 3.665 3.960 0.001 0.000 0.244 76 G HA3 -0.295 3.665 3.960 0.001 0.000 0.244 76 G C -0.034 174.855 174.900 -0.018 0.000 0.982 76 G CA 0.101 45.191 45.100 -0.016 0.000 0.641 76 G HN 0.274 nan 8.290 nan 0.000 0.527 77 K N 1.189 121.557 120.400 -0.054 0.000 2.183 77 K HA 0.668 4.988 4.320 0.001 0.000 0.274 77 K C -0.023 176.523 176.600 -0.091 0.000 1.009 77 K CA -0.362 55.917 56.287 -0.012 0.000 0.888 77 K CB 0.665 33.212 32.500 0.079 0.000 1.078 77 K HN 0.361 nan 8.250 nan 0.000 0.459 78 E N 3.009 123.227 120.200 0.029 0.000 2.383 78 E HA 0.444 4.794 4.350 0.001 0.000 0.275 78 E C -1.706 174.967 176.600 0.121 0.000 0.918 78 E CA -1.124 55.313 56.400 0.062 0.000 0.764 78 E CB 1.987 31.775 29.700 0.146 0.000 1.252 78 E HN 0.264 nan 8.360 nan 0.000 0.449 79 L N 1.959 123.281 121.223 0.165 0.000 2.424 79 L HA 0.685 5.025 4.340 0.001 0.000 0.258 79 L C -1.800 174.947 176.870 -0.205 0.000 0.995 79 L CA -0.581 54.209 54.840 -0.084 0.000 0.821 79 L CB 2.262 44.288 42.059 -0.054 0.000 1.383 79 L HN 0.651 nan 8.230 nan 0.000 0.410 80 M N 3.381 122.667 119.600 -0.523 0.000 2.365 80 M HA 0.348 4.829 4.480 0.001 0.000 0.287 80 M C -2.491 173.514 176.300 -0.492 0.000 1.154 80 M CA -0.306 54.757 55.300 -0.396 0.000 0.941 80 M CB 2.348 34.670 32.600 -0.465 0.000 1.704 80 M HN 0.660 nan 8.290 nan 0.000 0.479 81 W N 4.093 125.315 121.300 -0.130 0.000 2.683 81 W HA 0.294 4.955 4.660 0.001 0.000 0.329 81 W C -0.099 176.292 176.519 -0.213 0.000 1.037 81 W CA -0.585 56.670 57.345 -0.149 0.000 1.232 81 W CB 1.914 31.286 29.460 -0.146 0.000 1.390 81 W HN 0.747 nan 8.180 nan 0.000 0.465 82 N N 0.312 119.024 118.700 0.020 0.000 2.327 82 N HA 0.179 4.920 4.740 0.001 0.000 0.257 82 N C 0.539 175.992 175.510 -0.094 0.000 1.281 82 N CA -0.214 52.813 53.050 -0.038 0.000 0.942 82 N CB 0.254 38.760 38.487 0.032 0.000 1.199 82 N HN 0.185 nan 8.380 nan 0.000 0.532 83 F N -1.188 118.753 119.950 -0.015 0.000 2.186 83 F HA 0.046 4.574 4.527 0.000 0.000 0.299 83 F C 2.654 178.435 175.800 -0.032 0.000 1.090 83 F CA 1.237 59.201 58.000 -0.059 0.000 1.307 83 F CB -0.269 38.724 39.000 -0.012 0.000 1.019 83 F HN 0.516 nan 8.300 nan 0.000 0.489 84 R N 0.825 121.424 120.500 0.166 0.000 2.080 84 R HA -0.198 4.143 4.340 0.001 0.000 0.236 84 R C 2.035 178.376 176.300 0.068 0.000 1.137 84 R CA 2.112 58.270 56.100 0.097 0.000 0.943 84 R CB -0.347 29.999 30.300 0.078 0.000 0.846 84 R HN 0.297 nan 8.270 nan 0.000 0.431 85 E N 0.286 120.541 120.200 0.092 0.000 2.085 85 E HA -0.226 4.124 4.350 0.001 0.000 0.194 85 E C 1.960 178.625 176.600 0.109 0.000 0.994 85 E CA 1.264 57.761 56.400 0.162 0.000 0.801 85 E CB -0.164 29.703 29.700 0.277 0.000 0.743 85 E HN 0.205 nan 8.360 nan 0.000 0.453 86 L N 0.747 121.960 121.223 -0.016 0.000 2.046 86 L HA -0.189 4.152 4.340 0.001 0.000 0.208 86 L C 2.353 179.116 176.870 -0.178 0.000 1.077 86 L CA 1.822 56.510 54.840 -0.254 0.000 0.747 86 L CB -0.758 41.040 42.059 -0.436 0.000 0.896 86 L HN -0.004 nan 8.230 nan 0.000 0.432 87 S N -0.851 114.802 115.700 -0.077 0.000 2.348 87 S HA -0.223 4.247 4.470 0.001 0.000 0.221 87 S C 1.889 176.472 174.600 -0.028 0.000 1.033 87 S CA 1.588 59.767 58.200 -0.034 0.000 1.010 87 S CB -0.293 62.915 63.200 0.013 0.000 0.891 87 S HN 0.608 nan 8.310 nan 0.000 0.442 88 E N 0.614 120.810 120.200 -0.006 0.000 2.049 88 E HA -0.196 4.154 4.350 0.001 0.000 0.198 88 E C 2.094 178.686 176.600 -0.013 0.000 1.007 88 E CA 1.478 57.879 56.400 0.002 0.000 0.809 88 E CB -0.262 29.453 29.700 0.025 0.000 0.749 88 E HN 0.430 nan 8.360 nan 0.000 0.450 89 N N 0.092 118.779 118.700 -0.021 0.000 2.244 89 N HA -0.110 4.630 4.740 0.001 0.000 0.183 89 N C 1.735 177.199 175.510 -0.076 0.000 1.016 89 N CA 1.374 54.402 53.050 -0.036 0.000 0.866 89 N CB -0.017 38.450 38.487 -0.033 0.000 0.980 89 N HN 0.114 nan 8.380 nan 0.000 0.430 90 S N -0.759 114.880 115.700 -0.102 0.000 2.428 90 S HA -0.052 4.418 4.470 0.001 0.000 0.230 90 S C 1.807 176.358 174.600 -0.081 0.000 1.014 90 S CA 0.515 58.663 58.200 -0.086 0.000 0.957 90 S CB -0.255 62.897 63.200 -0.080 0.000 0.784 90 S HN 0.330 nan 8.310 nan 0.000 0.499 91 Q N 1.145 120.907 119.800 -0.064 0.000 2.016 91 Q HA -0.092 4.248 4.340 0.001 0.000 0.200 91 Q C 2.552 178.509 176.000 -0.072 0.000 0.978 91 Q CA 1.586 57.352 55.803 -0.062 0.000 0.833 91 Q CB -0.323 28.418 28.738 0.006 0.000 0.895 91 Q HN 0.667 nan 8.270 nan 0.000 0.427 92 Q N 0.217 119.986 119.800 -0.051 0.000 2.118 92 Q HA -0.271 4.069 4.340 0.001 0.000 0.211 92 Q C 2.125 178.069 176.000 -0.095 0.000 0.998 92 Q CA 1.595 57.359 55.803 -0.065 0.000 0.872 92 Q CB -0.360 28.340 28.738 -0.062 0.000 0.925 92 Q HN 0.408 nan 8.270 nan 0.000 0.414 93 A N 0.963 123.738 122.820 -0.075 0.000 1.883 93 A HA -0.188 4.133 4.320 0.001 0.000 0.217 93 A C 2.302 179.852 177.584 -0.058 0.000 1.186 93 A CA 1.837 53.862 52.037 -0.020 0.000 0.624 93 A CB -0.892 18.142 19.000 0.056 0.000 0.822 93 A HN 0.445 nan 8.150 nan 0.000 0.444 94 A N -0.138 122.580 122.820 -0.171 0.000 1.930 94 A HA -0.165 4.155 4.320 0.001 0.000 0.217 94 A C 1.952 179.419 177.584 -0.195 0.000 1.175 94 A CA 1.584 53.433 52.037 -0.313 0.000 0.627 94 A CB -0.589 17.929 19.000 -0.804 0.000 0.815 94 A HN 0.566 nan 8.150 nan 0.000 0.443 95 N N 0.316 118.958 118.700 -0.096 0.000 2.120 95 N HA -0.128 4.613 4.740 0.001 0.000 0.188 95 N C 1.764 177.272 175.510 -0.004 0.000 1.024 95 N CA 1.656 54.729 53.050 0.037 0.000 0.852 95 N CB -0.460 38.049 38.487 0.036 0.000 1.003 95 N HN 0.273 nan 8.380 nan 0.000 0.424 96 V N 1.785 121.667 119.914 -0.053 0.000 2.332 96 V HA -0.185 3.936 4.120 0.001 0.000 0.248 96 V C 2.388 178.483 176.094 0.001 0.000 1.055 96 V CA 1.290 63.551 62.300 -0.066 0.000 1.038 96 V CB -0.462 31.247 31.823 -0.189 0.000 0.651 96 V HN 0.215 nan 8.190 nan 0.000 0.450 97 L N 0.425 121.662 121.223 0.023 0.000 2.095 97 L HA -0.068 4.273 4.340 0.001 0.000 0.204 97 L C 2.515 179.412 176.870 0.045 0.000 1.080 97 L CA 1.723 56.593 54.840 0.049 0.000 0.759 97 L CB -0.455 41.631 42.059 0.046 0.000 0.914 97 L HN 0.528 nan 8.230 nan 0.000 0.439 98 S N -1.343 114.388 115.700 0.051 0.000 2.492 98 S HA 0.122 4.593 4.470 0.001 0.000 0.218 98 S C 1.625 176.266 174.600 0.067 0.000 1.016 98 S CA 0.242 58.488 58.200 0.076 0.000 0.916 98 S CB 0.083 63.364 63.200 0.135 0.000 0.791 98 S HN 0.313 nan 8.310 nan 0.000 0.513 99 G N 1.771 110.606 108.800 0.058 0.000 2.632 99 G HA2 0.397 4.357 3.960 0.001 0.000 0.220 99 G HA3 0.397 4.357 3.960 0.001 0.000 0.220 99 G C 1.655 176.568 174.900 0.022 0.000 1.439 99 G CA 0.322 45.446 45.100 0.040 0.000 0.934 99 G HN 0.626 nan 8.290 nan 0.000 0.536 100 A N -0.425 122.400 122.820 0.009 0.000 1.948 100 A HA -0.141 4.179 4.320 0.001 0.000 0.220 100 A C 2.358 179.949 177.584 0.011 0.000 1.177 100 A CA 2.212 54.251 52.037 0.002 0.000 0.636 100 A CB -0.966 18.025 19.000 -0.015 0.000 0.815 100 A HN 0.452 nan 8.150 nan 0.000 0.449 101 C N -1.734 117.578 119.300 0.020 0.000 2.673 101 C HA 0.458 4.918 4.460 0.001 0.000 0.264 101 C C 1.932 176.935 174.990 0.022 0.000 1.304 101 C CA -0.129 58.903 59.018 0.024 0.000 1.727 101 C CB -1.001 26.761 27.740 0.037 0.000 1.932 101 C HN 1.112 nan 8.230 nan 0.000 0.563 102 G N 1.561 110.377 108.800 0.026 0.000 2.283 102 G HA2 -0.271 3.690 3.960 0.001 0.000 0.280 102 G HA3 -0.271 3.690 3.960 0.001 0.000 0.280 102 G C -0.034 174.884 174.900 0.030 0.000 1.029 102 G CA 0.025 45.142 45.100 0.027 0.000 0.840 102 G HN 0.592 nan 8.290 nan 0.000 0.505 103 L N -0.232 121.013 121.223 0.037 0.000 2.426 103 L HA 0.353 4.693 4.340 0.001 0.000 0.271 103 L C 0.709 177.608 176.870 0.049 0.000 1.169 103 L CA -0.264 54.600 54.840 0.039 0.000 0.836 103 L CB 0.706 42.791 42.059 0.043 0.000 1.112 103 L HN 0.172 nan 8.230 nan 0.000 0.465 104 Q N 2.338 122.166 119.800 0.045 0.000 2.301 104 Q HA 0.334 4.674 4.340 0.001 0.000 0.267 104 Q C -0.531 175.505 176.000 0.059 0.000 1.035 104 Q CA -0.968 54.865 55.803 0.049 0.000 0.856 104 Q CB 1.842 30.601 28.738 0.036 0.000 1.337 104 Q HN 0.415 nan 8.270 nan 0.000 0.450 105 R N -0.147 120.393 120.500 0.066 0.000 2.494 105 R HA 0.053 4.393 4.340 0.001 0.000 0.291 105 R C 0.846 177.188 176.300 0.070 0.000 0.953 105 R CA 1.801 57.949 56.100 0.079 0.000 1.098 105 R CB -0.302 30.040 30.300 0.069 0.000 0.911 105 R HN 0.936 nan 8.270 nan 0.000 0.407 106 G N 2.888 111.739 108.800 0.084 0.000 2.234 106 G HA2 -0.248 3.712 3.960 0.001 0.000 0.235 106 G HA3 -0.248 3.712 3.960 0.001 0.000 0.235 106 G C -0.331 174.596 174.900 0.044 0.000 0.997 106 G CA 0.168 45.307 45.100 0.064 0.000 0.623 106 G HN 0.676 nan 8.290 nan 0.000 0.514 107 D N 1.057 121.484 120.400 0.046 0.000 2.414 107 D HA 0.446 5.086 4.640 0.001 0.000 0.242 107 D C 0.998 177.317 176.300 0.032 0.000 1.129 107 D CA 0.205 54.225 54.000 0.034 0.000 0.885 107 D CB 0.440 41.261 40.800 0.034 0.000 1.198 107 D HN 0.403 nan 8.370 nan 0.000 0.437 108 R N 0.976 121.488 120.500 0.021 0.000 2.254 108 R HA 0.458 4.798 4.340 0.001 0.000 0.318 108 R C -0.817 175.499 176.300 0.026 0.000 1.031 108 R CA -0.652 55.458 56.100 0.016 0.000 0.905 108 R CB 1.198 31.506 30.300 0.012 0.000 1.050 108 R HN 0.116 nan 8.270 nan 0.000 0.456 109 V N 3.252 123.186 119.914 0.032 0.000 2.326 109 V HA 0.330 4.450 4.120 0.001 0.000 0.281 109 V C 0.142 176.257 176.094 0.036 0.000 1.015 109 V CA -0.898 61.423 62.300 0.034 0.000 0.823 109 V CB 1.408 33.253 31.823 0.036 0.000 1.009 109 V HN 0.923 nan 8.190 nan 0.000 0.436 110 A N 5.116 127.961 122.820 0.040 0.000 2.477 110 A HA 0.603 4.923 4.320 0.001 0.000 0.246 110 A C -0.246 177.357 177.584 0.033 0.000 1.078 110 A CA -0.028 52.038 52.037 0.049 0.000 0.770 110 A CB 0.445 19.478 19.000 0.054 0.000 1.011 110 A HN 0.731 nan 8.150 nan 0.000 0.494 111 V N 3.653 123.586 119.914 0.032 0.000 2.443 111 V HA 0.396 4.516 4.120 0.001 0.000 0.293 111 V C -0.606 175.544 176.094 0.093 0.000 1.021 111 V CA -0.359 61.946 62.300 0.008 0.000 0.848 111 V CB 1.602 33.355 31.823 -0.117 0.000 0.998 111 V HN 0.630 nan 8.190 nan 0.000 0.424 112 V N 7.044 127.011 119.914 0.089 0.000 2.380 112 V HA 0.514 4.634 4.120 0.001 0.000 0.268 112 V C -0.406 175.739 176.094 0.085 0.000 1.008 112 V CA -0.165 62.194 62.300 0.098 0.000 0.823 112 V CB 1.022 32.890 31.823 0.074 0.000 1.053 112 V HN 0.647 nan 8.190 nan 0.000 0.446 113 L N 5.630 126.935 121.223 0.138 0.000 2.371 113 L HA 0.683 5.023 4.340 0.001 0.000 0.262 113 L C -2.364 174.541 176.870 0.058 0.000 1.006 113 L CA -1.889 53.018 54.840 0.111 0.000 0.818 113 L CB 3.637 45.811 42.059 0.191 0.000 1.354 113 L HN 0.293 nan 8.230 nan 0.000 0.415 114 P HA 0.156 nan 4.420 nan 0.000 0.279 114 P C -0.886 176.473 177.300 0.098 0.000 1.282 114 P CA -0.633 62.497 63.100 0.049 0.000 0.788 114 P CB 0.554 32.300 31.700 0.077 0.000 1.139 115 R N 0.111 120.706 120.500 0.158 0.000 3.206 115 R HA 0.238 4.579 4.340 0.001 0.000 0.209 115 R C 0.073 176.649 176.300 0.459 0.000 1.632 115 R CA -0.082 56.209 56.100 0.318 0.000 1.234 115 R CB -1.029 29.455 30.300 0.307 0.000 1.270 115 R HN 0.309 nan 8.270 nan 0.000 0.665 116 V N -0.938 119.181 119.914 0.341 0.000 3.040 116 V HA 0.451 4.571 4.120 0.001 0.000 0.312 116 V C -2.405 173.715 176.094 0.044 0.000 1.115 116 V CA -2.458 59.829 62.300 -0.021 0.000 0.998 116 V CB 2.467 34.233 31.823 -0.095 0.000 1.042 116 V HN 0.166 nan 8.190 nan 0.000 0.433 117 P HA -0.038 nan 4.420 nan 0.000 0.220 117 P C 1.190 178.561 177.300 0.119 0.000 1.148 117 P CA 1.287 64.356 63.100 -0.051 0.000 0.803 117 P CB 0.264 31.919 31.700 -0.075 0.000 0.782 118 E N -1.763 118.462 120.200 0.042 0.000 2.209 118 E HA -0.200 4.150 4.350 0.001 0.000 0.196 118 E C 1.627 178.232 176.600 0.009 0.000 0.993 118 E CA 0.940 57.337 56.400 -0.006 0.000 0.819 118 E CB -0.874 28.755 29.700 -0.119 0.000 0.745 118 E HN 0.360 nan 8.360 nan 0.000 0.477 119 W N 0.075 121.360 121.300 -0.024 0.000 2.333 119 W HA -0.187 4.473 4.660 0.000 0.000 0.316 119 W C 1.627 178.045 176.519 -0.168 0.000 1.215 119 W CA 1.522 58.778 57.345 -0.148 0.000 1.278 119 W CB -0.256 29.056 29.460 -0.247 0.000 1.154 119 W HN 0.108 nan 8.180 nan 0.000 0.486 120 W N 0.063 121.528 121.300 0.275 0.000 2.358 120 W HA -0.181 4.480 4.660 0.001 0.000 0.303 120 W C 2.106 178.590 176.519 -0.058 0.000 1.208 120 W CA 1.140 58.597 57.345 0.186 0.000 1.274 120 W CB -1.104 28.535 29.460 0.300 0.000 1.138 120 W HN -0.008 nan 8.180 nan 0.000 0.515 121 L N -0.493 120.789 121.223 0.099 0.000 2.017 121 L HA -0.232 4.108 4.340 0.001 0.000 0.208 121 L C 2.331 179.145 176.870 -0.093 0.000 1.073 121 L CA 0.943 55.765 54.840 -0.029 0.000 0.745 121 L CB -1.454 40.582 42.059 -0.039 0.000 0.894 121 L HN -0.240 nan 8.230 nan 0.000 0.432 122 V N 0.045 119.839 119.914 -0.201 0.000 2.343 122 V HA -0.286 3.834 4.120 0.001 0.000 0.247 122 V C 2.452 178.316 176.094 -0.383 0.000 1.051 122 V CA 1.439 63.576 62.300 -0.272 0.000 1.036 122 V CB -0.336 31.233 31.823 -0.423 0.000 0.654 122 V HN 0.276 nan 8.190 nan 0.000 0.451 123 I N -0.501 119.684 120.570 -0.642 0.000 2.202 123 I HA -0.206 3.964 4.170 0.001 0.000 0.242 123 I C 2.403 178.216 176.117 -0.507 0.000 1.091 123 I CA 1.679 62.448 61.300 -0.884 0.000 1.368 123 I CB -1.122 36.039 38.000 -1.398 0.000 1.058 123 I HN 0.268 nan 8.210 nan 0.000 0.410 124 L N 0.556 121.631 121.223 -0.247 0.000 2.043 124 L HA -0.191 4.149 4.340 0.001 0.000 0.212 124 L C 2.668 179.502 176.870 -0.060 0.000 1.075 124 L CA 1.688 56.501 54.840 -0.045 0.000 0.752 124 L CB -1.172 40.924 42.059 0.063 0.000 0.891 124 L HN 0.315 nan 8.230 nan 0.000 0.432 125 G N -0.869 107.870 108.800 -0.102 0.000 2.446 125 G HA2 -0.276 3.684 3.960 0.001 0.000 0.217 125 G HA3 -0.276 3.684 3.960 0.001 0.000 0.217 125 G C 1.623 176.478 174.900 -0.076 0.000 1.168 125 G CA 1.036 46.075 45.100 -0.102 0.000 0.771 125 G HN 0.421 nan 8.290 nan 0.000 0.551 126 C N 0.276 119.537 119.300 -0.066 0.000 2.432 126 C HA 0.036 4.496 4.460 0.001 0.000 0.277 126 C C 2.856 177.935 174.990 0.148 0.000 1.249 126 C CA 0.557 59.598 59.018 0.038 0.000 1.725 126 C CB -1.013 26.765 27.740 0.064 0.000 2.028 126 C HN 0.483 nan 8.230 nan 0.000 0.477 127 I N 0.407 121.066 120.570 0.148 0.000 2.226 127 I HA -0.227 3.944 4.170 0.001 0.000 0.245 127 I C 2.796 179.076 176.117 0.271 0.000 1.100 127 I CA 1.532 63.030 61.300 0.331 0.000 1.374 127 I CB -0.476 37.707 38.000 0.305 0.000 1.057 127 I HN 0.344 nan 8.210 nan 0.000 0.413 128 R N 0.608 121.183 120.500 0.125 0.000 2.075 128 R HA -0.072 4.268 4.340 0.001 0.000 0.232 128 R C 2.164 178.548 176.300 0.140 0.000 1.126 128 R CA 1.495 57.647 56.100 0.086 0.000 0.963 128 R CB -0.360 29.898 30.300 -0.070 0.000 0.858 128 R HN 0.330 nan 8.270 nan 0.000 0.435 129 A N 0.006 122.872 122.820 0.075 0.000 2.238 129 A HA 0.212 4.533 4.320 0.001 0.000 0.208 129 A C 1.217 178.898 177.584 0.162 0.000 1.177 129 A CA 0.640 52.760 52.037 0.138 0.000 0.804 129 A CB -0.086 18.949 19.000 0.057 0.000 0.823 129 A HN 0.462 nan 8.150 nan 0.000 0.482 130 G N -0.654 108.265 108.800 0.198 0.000 2.221 130 G HA2 -0.211 3.750 3.960 0.001 0.000 0.265 130 G HA3 -0.211 3.750 3.960 0.001 0.000 0.265 130 G C -0.073 174.971 174.900 0.240 0.000 1.041 130 G CA 0.438 45.684 45.100 0.244 0.000 0.807 130 G HN 0.473 nan 8.290 nan 0.000 0.502 131 L N 0.007 121.359 121.223 0.214 0.000 2.309 131 L HA 0.549 4.889 4.340 0.001 0.000 0.282 131 L C 0.998 177.959 176.870 0.151 0.000 1.036 131 L CA -1.100 53.830 54.840 0.151 0.000 0.806 131 L CB 1.450 43.575 42.059 0.111 0.000 1.220 131 L HN 0.025 nan 8.230 nan 0.000 0.429 132 I N 3.645 124.257 120.570 0.070 0.000 2.363 132 I HA 0.088 4.258 4.170 0.001 0.000 0.292 132 I C -0.012 176.088 176.117 -0.027 0.000 1.075 132 I CA -0.217 61.060 61.300 -0.038 0.000 1.333 132 I CB 0.023 37.978 38.000 -0.074 0.000 1.415 132 I HN 0.362 nan 8.210 nan 0.000 0.502 133 F N 5.859 125.743 119.950 -0.110 0.000 2.385 133 F HA 0.724 5.251 4.527 0.001 0.000 0.336 133 F C -0.263 175.420 175.800 -0.195 0.000 1.100 133 F CA -1.031 56.873 58.000 -0.159 0.000 1.116 133 F CB 0.657 39.520 39.000 -0.227 0.000 1.166 133 F HN 0.231 nan 8.300 nan 0.000 0.511 134 M N 4.553 124.132 119.600 -0.035 0.000 1.996 134 M HA 0.341 4.821 4.480 0.001 0.000 0.268 134 M C -2.875 173.408 176.300 -0.028 0.000 0.888 134 M CA -1.553 53.685 55.300 -0.104 0.000 0.939 134 M CB 1.507 34.132 32.600 0.041 0.000 1.736 134 M HN 0.328 nan 8.290 nan 0.000 0.407 135 P HA 0.545 nan 4.420 nan 0.000 0.277 135 P C -0.104 177.278 177.300 0.136 0.000 1.240 135 P CA -0.124 63.028 63.100 0.087 0.000 0.798 135 P CB 1.221 33.065 31.700 0.240 0.000 0.979 136 G N -0.625 108.275 108.800 0.166 0.000 2.704 136 G HA2 0.463 4.424 3.960 0.001 0.000 0.293 136 G HA3 0.463 4.424 3.960 0.001 0.000 0.293 136 G C -1.285 173.683 174.900 0.112 0.000 1.421 136 G CA -0.437 44.754 45.100 0.151 0.000 0.870 136 G HN 0.463 nan 8.290 nan 0.000 0.492 137 T N 0.057 114.670 114.554 0.099 0.000 2.907 137 T HA 0.170 4.520 4.350 0.001 0.000 0.298 137 T C 1.536 176.262 174.700 0.044 0.000 1.017 137 T CA -0.253 61.873 62.100 0.042 0.000 1.118 137 T CB 0.592 69.501 68.868 0.069 0.000 0.948 137 T HN 0.463 nan 8.240 nan 0.000 0.531 138 I N 3.679 124.256 120.570 0.012 0.000 2.756 138 I HA -0.047 4.124 4.170 0.001 0.000 0.262 138 I C 2.283 178.407 176.117 0.012 0.000 1.225 138 I CA 1.423 62.731 61.300 0.013 0.000 1.472 138 I CB -0.192 37.809 38.000 0.003 0.000 1.094 138 I HN 0.751 nan 8.210 nan 0.000 0.454 139 Q N -0.284 119.528 119.800 0.021 0.000 2.437 139 Q HA -0.041 4.300 4.340 0.001 0.000 0.210 139 Q C 0.751 176.750 176.000 -0.001 0.000 0.972 139 Q CA 0.320 56.131 55.803 0.013 0.000 0.903 139 Q CB -0.094 28.669 28.738 0.041 0.000 0.967 139 Q HN 0.484 nan 8.270 nan 0.000 0.486 140 M N 1.316 120.927 119.600 0.020 0.000 2.249 140 M HA 0.001 4.481 4.480 0.001 0.000 0.340 140 M C 0.249 176.539 176.300 -0.016 0.000 1.166 140 M CA 0.683 55.986 55.300 0.005 0.000 1.115 140 M CB 0.451 33.066 32.600 0.024 0.000 1.606 140 M HN -0.154 nan 8.290 nan 0.000 0.448 141 K N 0.861 121.239 120.400 -0.036 0.000 2.240 141 K HA 0.321 4.641 4.320 0.001 0.000 0.237 141 K C 1.142 177.732 176.600 -0.017 0.000 1.027 141 K CA -0.156 56.110 56.287 -0.035 0.000 0.937 141 K CB 0.843 33.305 32.500 -0.063 0.000 1.171 141 K HN 0.741 nan 8.250 nan 0.000 0.479 142 S N -0.545 115.150 115.700 -0.009 0.000 2.368 142 S HA -0.130 4.340 4.470 0.001 0.000 0.224 142 S C 1.752 176.358 174.600 0.010 0.000 1.029 142 S CA 1.769 59.975 58.200 0.010 0.000 0.988 142 S CB -0.560 62.649 63.200 0.015 0.000 0.838 142 S HN 0.561 nan 8.310 nan 0.000 0.462 143 T N 2.499 117.052 114.554 -0.001 0.000 2.788 143 T HA -0.091 4.260 4.350 0.001 0.000 0.268 143 T C 1.367 176.076 174.700 0.015 0.000 1.044 143 T CA 1.565 63.670 62.100 0.008 0.000 1.139 143 T CB -0.610 68.252 68.868 -0.010 0.000 0.867 143 T HN 0.456 nan 8.240 nan 0.000 0.454 144 D N 1.133 121.524 120.400 -0.014 0.000 2.097 144 D HA -0.028 4.612 4.640 0.001 0.000 0.195 144 D C 2.083 178.385 176.300 0.002 0.000 0.989 144 D CA 0.924 54.912 54.000 -0.020 0.000 0.827 144 D CB -0.303 40.475 40.800 -0.038 0.000 0.966 144 D HN 0.387 nan 8.370 nan 0.000 0.456 145 I N 0.498 121.069 120.570 0.002 0.000 2.315 145 I HA -0.209 3.961 4.170 0.001 0.000 0.248 145 I C 2.400 178.521 176.117 0.007 0.000 1.117 145 I CA 0.287 61.587 61.300 -0.001 0.000 1.404 145 I CB -0.125 37.889 38.000 0.023 0.000 1.071 145 I HN -0.026 nan 8.210 nan 0.000 0.419 146 L N 0.523 121.764 121.223 0.030 0.000 1.989 146 L HA -0.291 4.050 4.340 0.001 0.000 0.211 146 L C 2.549 179.444 176.870 0.041 0.000 1.071 146 L CA 2.000 56.860 54.840 0.035 0.000 0.749 146 L CB -1.018 41.069 42.059 0.046 0.000 0.890 146 L HN 0.228 nan 8.230 nan 0.000 0.431 147 Y N 0.423 120.693 120.300 -0.051 0.000 2.081 147 Y HA -0.327 4.223 4.550 -0.000 0.000 0.280 147 Y C 2.741 178.591 175.900 -0.084 0.000 1.163 147 Y CA 2.315 60.387 58.100 -0.047 0.000 1.135 147 Y CB -0.230 38.197 38.460 -0.055 0.000 0.970 147 Y HN 0.169 nan 8.280 nan 0.000 0.498 148 R N -0.143 120.289 120.500 -0.113 0.000 2.070 148 R HA -0.184 4.156 4.340 0.001 0.000 0.232 148 R C 2.358 178.584 176.300 -0.123 0.000 1.138 148 R CA 2.012 57.866 56.100 -0.409 0.000 0.936 148 R CB -0.824 29.151 30.300 -0.542 0.000 0.839 148 R HN 0.396 nan 8.270 nan 0.000 0.429 149 L N 0.772 121.954 121.223 -0.068 0.000 2.079 149 L HA -0.232 4.109 4.340 0.001 0.000 0.210 149 L C 2.662 179.522 176.870 -0.017 0.000 1.081 149 L CA 1.480 56.311 54.840 -0.014 0.000 0.752 149 L CB -0.432 41.621 42.059 -0.010 0.000 0.896 149 L HN 0.311 nan 8.230 nan 0.000 0.433 150 Q N -0.946 118.824 119.800 -0.050 0.000 2.049 150 Q HA -0.145 4.195 4.340 0.001 0.000 0.198 150 Q C 2.413 178.371 176.000 -0.069 0.000 0.971 150 Q CA 1.151 56.920 55.803 -0.055 0.000 0.833 150 Q CB -0.015 28.686 28.738 -0.062 0.000 0.896 150 Q HN 0.451 nan 8.270 nan 0.000 0.434 151 M N 0.459 119.982 119.600 -0.127 0.000 2.117 151 M HA -0.133 4.348 4.480 0.001 0.000 0.262 151 M C 2.389 178.694 176.300 0.008 0.000 1.065 151 M CA 1.658 56.894 55.300 -0.106 0.000 1.114 151 M CB -0.833 31.648 32.600 -0.198 0.000 1.361 151 M HN 0.193 nan 8.290 nan 0.000 0.408 152 S N -0.456 115.300 115.700 0.093 0.000 2.436 152 S HA -0.019 4.451 4.470 0.001 0.000 0.228 152 S C 0.771 175.393 174.600 0.035 0.000 1.014 152 S CA 0.229 58.488 58.200 0.098 0.000 0.950 152 S CB -0.288 63.035 63.200 0.206 0.000 0.784 152 S HN 0.468 nan 8.310 nan 0.000 0.504 153 K N 1.045 121.456 120.400 0.019 0.000 3.150 153 K HA -0.136 4.184 4.320 0.001 0.000 0.267 153 K C 0.086 176.692 176.600 0.010 0.000 1.028 153 K CA 0.178 56.468 56.287 0.005 0.000 0.753 153 K CB -2.424 30.075 32.500 -0.003 0.000 1.288 153 K HN 0.647 nan 8.250 nan 0.000 0.473 154 A N 1.008 123.841 122.820 0.021 0.000 2.540 154 A HA 0.054 4.375 4.320 0.001 0.000 0.239 154 A C 1.090 178.677 177.584 0.005 0.000 1.061 154 A CA 0.380 52.430 52.037 0.021 0.000 0.758 154 A CB 0.336 19.355 19.000 0.032 0.000 0.991 154 A HN 0.386 nan 8.150 nan 0.000 0.502 155 K N 0.574 120.978 120.400 0.006 0.000 2.361 155 K HA 0.340 4.660 4.320 0.001 0.000 0.196 155 K C 0.412 177.006 176.600 -0.010 0.000 1.039 155 K CA 1.190 57.476 56.287 -0.003 0.000 1.001 155 K CB 0.265 32.768 32.500 0.004 0.000 0.795 155 K HN 0.870 nan 8.250 nan 0.000 0.495 156 A N 0.180 122.998 122.820 -0.002 0.000 2.606 156 A HA 0.669 4.990 4.320 0.001 0.000 0.293 156 A C -1.785 175.804 177.584 0.007 0.000 1.082 156 A CA -0.698 51.336 52.037 -0.005 0.000 0.685 156 A CB 1.144 20.152 19.000 0.012 0.000 1.284 156 A HN 0.123 nan 8.150 nan 0.000 0.408 157 I N 0.899 121.476 120.570 0.011 0.000 2.619 157 I HA 0.651 4.821 4.170 0.001 0.000 0.292 157 I C -1.605 174.585 176.117 0.121 0.000 1.100 157 I CA -0.834 60.503 61.300 0.062 0.000 1.043 157 I CB 2.083 40.133 38.000 0.082 0.000 1.239 157 I HN 0.406 nan 8.210 nan 0.000 0.420 158 V N 7.368 127.338 119.914 0.093 0.000 2.357 158 V HA 0.880 5.000 4.120 0.001 0.000 0.284 158 V C 0.104 176.244 176.094 0.077 0.000 1.018 158 V CA -0.219 62.125 62.300 0.073 0.000 0.841 158 V CB 0.831 32.601 31.823 -0.089 0.000 0.991 158 V HN 0.834 nan 8.190 nan 0.000 0.437 159 A N 3.696 126.587 122.820 0.118 0.000 2.532 159 A HA 1.020 5.340 4.320 0.001 0.000 0.290 159 A C -0.026 177.503 177.584 -0.092 0.000 1.143 159 A CA -0.166 51.890 52.037 0.031 0.000 0.728 159 A CB 1.974 21.023 19.000 0.083 0.000 1.317 159 A HN 1.011 nan 8.150 nan 0.000 0.414 160 G N -1.172 107.566 108.800 -0.103 0.000 2.644 160 G HA2 0.480 4.440 3.960 0.001 0.000 0.307 160 G HA3 0.480 4.440 3.960 0.001 0.000 0.307 160 G C -0.318 174.482 174.900 -0.166 0.000 1.250 160 G CA -0.229 44.797 45.100 -0.122 0.000 0.996 160 G HN 0.496 nan 8.290 nan 0.000 0.489 161 D N -0.474 119.842 120.400 -0.139 0.000 2.172 161 D HA -0.177 4.463 4.640 0.001 0.000 0.196 161 D C 1.955 178.192 176.300 -0.105 0.000 0.999 161 D CA 1.593 55.510 54.000 -0.137 0.000 0.856 161 D CB 0.075 40.826 40.800 -0.081 0.000 0.934 161 D HN 0.714 nan 8.370 nan 0.000 0.453 162 E N 0.275 120.435 120.200 -0.066 0.000 2.118 162 E HA -0.160 4.190 4.350 0.001 0.000 0.195 162 E C 1.750 178.323 176.600 -0.046 0.000 0.992 162 E CA 1.449 57.824 56.400 -0.041 0.000 0.804 162 E CB 0.257 29.947 29.700 -0.017 0.000 0.741 162 E HN 0.272 nan 8.360 nan 0.000 0.458 163 V N -1.423 118.455 119.914 -0.060 0.000 3.528 163 V HA 0.134 4.254 4.120 0.001 0.000 0.294 163 V C 1.793 177.860 176.094 -0.046 0.000 1.404 163 V CA 0.306 62.585 62.300 -0.035 0.000 1.065 163 V CB -0.468 31.355 31.823 0.001 0.000 0.904 163 V HN 0.281 nan 8.190 nan 0.000 0.435 164 I N -0.116 120.359 120.570 -0.158 0.000 2.145 164 I HA -0.283 3.887 4.170 0.001 0.000 0.244 164 I C 2.455 178.573 176.117 0.002 0.000 1.075 164 I CA 2.381 63.539 61.300 -0.237 0.000 1.332 164 I CB -1.189 36.517 38.000 -0.489 0.000 1.033 164 I HN 0.356 nan 8.210 nan 0.000 0.410 165 Q N 0.272 120.066 119.800 -0.010 0.000 2.079 165 Q HA -0.226 4.114 4.340 0.001 0.000 0.200 165 Q C 2.238 178.275 176.000 0.061 0.000 0.974 165 Q CA 1.482 57.307 55.803 0.036 0.000 0.840 165 Q CB 0.020 28.765 28.738 0.010 0.000 0.898 165 Q HN 0.523 nan 8.270 nan 0.000 0.430 166 E N -0.419 119.808 120.200 0.044 0.000 2.085 166 E HA -0.159 4.192 4.350 0.001 0.000 0.194 166 E C 1.890 178.539 176.600 0.082 0.000 0.994 166 E CA 1.157 57.585 56.400 0.048 0.000 0.801 166 E CB -0.177 29.539 29.700 0.028 0.000 0.743 166 E HN 0.157 nan 8.360 nan 0.000 0.453 167 V N 1.235 121.231 119.914 0.136 0.000 2.270 167 V HA -0.242 3.878 4.120 0.001 0.000 0.245 167 V C 1.560 177.759 176.094 0.174 0.000 1.043 167 V CA 2.050 64.463 62.300 0.188 0.000 1.014 167 V CB -0.506 31.538 31.823 0.367 0.000 0.645 167 V HN 0.204 nan 8.190 nan 0.000 0.447 168 D N -0.136 120.403 120.400 0.231 0.000 2.221 168 D HA -0.137 4.504 4.640 0.001 0.000 0.204 168 D C 2.241 178.601 176.300 0.099 0.000 0.982 168 D CA 1.605 55.715 54.000 0.183 0.000 0.857 168 D CB -0.358 40.583 40.800 0.236 0.000 0.934 168 D HN 0.385 nan 8.370 nan 0.000 0.475 169 T N -0.317 114.287 114.554 0.082 0.000 2.833 169 T HA -0.095 4.256 4.350 0.001 0.000 0.269 169 T C 1.869 176.594 174.700 0.042 0.000 1.054 169 T CA 1.444 63.576 62.100 0.053 0.000 1.135 169 T CB 0.087 68.980 68.868 0.042 0.000 0.869 169 T HN 0.219 nan 8.240 nan 0.000 0.466 170 V N -1.879 118.061 119.914 0.044 0.000 3.477 170 V HA 0.666 4.786 4.120 0.001 0.000 0.297 170 V C 2.176 178.282 176.094 0.019 0.000 1.433 170 V CA 0.287 62.605 62.300 0.030 0.000 1.052 170 V CB -0.491 31.350 31.823 0.030 0.000 0.895 170 V HN 0.271 nan 8.190 nan 0.000 0.438 171 A N 2.169 125.001 122.820 0.019 0.000 1.972 171 A HA -0.142 4.178 4.320 0.001 0.000 0.219 171 A C 2.499 180.069 177.584 -0.024 0.000 1.169 171 A CA 2.382 54.412 52.037 -0.011 0.000 0.635 171 A CB -0.791 18.187 19.000 -0.035 0.000 0.810 171 A HN 1.045 nan 8.150 nan 0.000 0.446 172 S N 0.125 115.818 115.700 -0.013 0.000 2.423 172 S HA -0.132 4.338 4.470 0.001 0.000 0.231 172 S C 1.254 175.847 174.600 -0.011 0.000 1.014 172 S CA 1.219 59.410 58.200 -0.015 0.000 0.965 172 S CB -0.482 62.714 63.200 -0.006 0.000 0.785 172 S HN 0.672 nan 8.310 nan 0.000 0.495 173 E N 0.129 120.326 120.200 -0.004 0.000 2.485 173 E HA 0.109 4.459 4.350 0.001 0.000 0.194 173 E C -0.569 176.027 176.600 -0.007 0.000 1.098 173 E CA -0.172 56.227 56.400 -0.002 0.000 0.878 173 E CB -0.189 29.514 29.700 0.005 0.000 0.939 173 E HN 0.483 nan 8.360 nan 0.000 0.503 174 C N 1.623 120.914 119.300 -0.014 0.000 2.439 174 C HA 0.227 4.688 4.460 0.001 0.000 0.298 174 C C -1.368 173.608 174.990 -0.023 0.000 1.094 174 C CA -1.542 57.465 59.018 -0.018 0.000 1.609 174 C CB 0.062 27.790 27.740 -0.020 0.000 1.723 174 C HN 0.258 nan 8.230 nan 0.000 0.423 175 P HA -0.112 nan 4.420 nan 0.000 0.216 175 P C 1.593 178.881 177.300 -0.021 0.000 1.150 175 P CA 1.457 64.546 63.100 -0.019 0.000 0.837 175 P CB 0.155 31.847 31.700 -0.014 0.000 0.786 176 S N -0.882 114.806 115.700 -0.019 0.000 2.453 176 S HA -0.030 4.440 4.470 0.001 0.000 0.231 176 S C 0.841 175.427 174.600 -0.023 0.000 1.005 176 S CA -0.015 58.175 58.200 -0.017 0.000 0.949 176 S CB -0.767 62.426 63.200 -0.011 0.000 0.774 176 S HN 0.047 nan 8.310 nan 0.000 0.510 177 L N 2.846 124.050 121.223 -0.032 0.000 2.530 177 L HA 0.208 4.549 4.340 0.001 0.000 0.273 177 L C 1.051 177.883 176.870 -0.062 0.000 1.141 177 L CA 0.417 55.229 54.840 -0.048 0.000 0.905 177 L CB 0.196 42.219 42.059 -0.061 0.000 1.202 177 L HN -0.027 nan 8.230 nan 0.000 0.473 178 R N 4.249 124.715 120.500 -0.057 0.000 2.316 178 R HA 0.341 4.682 4.340 0.001 0.000 0.201 178 R C -0.338 175.918 176.300 -0.074 0.000 0.888 178 R CA -0.016 56.049 56.100 -0.057 0.000 1.041 178 R CB 0.607 30.887 30.300 -0.033 0.000 1.115 178 R HN 0.514 nan 8.270 nan 0.000 0.559 179 I N 1.999 122.521 120.570 -0.080 0.000 2.533 179 I HA 0.319 4.489 4.170 0.001 0.000 0.290 179 I C -1.112 174.923 176.117 -0.138 0.000 1.056 179 I CA -0.664 60.586 61.300 -0.083 0.000 1.057 179 I CB 2.043 40.028 38.000 -0.024 0.000 1.240 179 I HN 0.023 nan 8.210 nan 0.000 0.423 180 K N 7.207 127.475 120.400 -0.219 0.000 2.559 180 K HA 0.560 4.880 4.320 0.001 0.000 0.249 180 K C -1.027 175.573 176.600 -0.000 0.000 0.958 180 K CA -0.608 55.447 56.287 -0.386 0.000 0.901 180 K CB 2.378 34.167 32.500 -1.186 0.000 1.124 180 K HN 0.434 nan 8.250 nan 0.000 0.437 181 L N 3.867 125.238 121.223 0.247 0.000 2.289 181 L HA 0.404 4.744 4.340 0.001 0.000 0.285 181 L C -0.721 176.467 176.870 0.531 0.000 1.049 181 L CA -1.066 54.002 54.840 0.379 0.000 0.804 181 L CB 1.014 43.253 42.059 0.300 0.000 1.195 181 L HN 0.369 nan 8.230 nan 0.000 0.428 182 L N 4.866 126.360 121.223 0.450 0.000 2.313 182 L HA 0.511 4.851 4.340 0.001 0.000 0.283 182 L C -0.719 176.218 176.870 0.112 0.000 1.013 182 L CA -0.272 54.659 54.840 0.152 0.000 0.816 182 L CB 1.853 43.885 42.059 -0.045 0.000 1.236 182 L HN 0.220 nan 8.230 nan 0.000 0.419 183 V N 4.759 124.676 119.914 0.004 0.000 2.318 183 V HA 0.755 4.875 4.120 0.001 0.000 0.271 183 V C -0.027 176.060 176.094 -0.011 0.000 1.030 183 V CA -0.048 62.261 62.300 0.015 0.000 0.844 183 V CB 0.540 32.302 31.823 -0.101 0.000 1.015 183 V HN 0.866 nan 8.190 nan 0.000 0.460 184 S N 3.039 118.751 115.700 0.020 0.000 2.580 184 S HA 0.301 4.771 4.470 0.001 0.000 0.281 184 S C 0.334 174.942 174.600 0.014 0.000 1.129 184 S CA -0.576 57.620 58.200 -0.007 0.000 0.862 184 S CB 1.863 65.031 63.200 -0.054 0.000 1.090 184 S HN 0.592 nan 8.310 nan 0.000 0.451 185 E N 1.806 122.012 120.200 0.010 0.000 2.268 185 E HA 0.055 4.405 4.350 0.001 0.000 0.195 185 E C 0.016 176.623 176.600 0.013 0.000 0.995 185 E CA 0.966 57.376 56.400 0.017 0.000 0.836 185 E CB -0.015 29.696 29.700 0.019 0.000 0.763 185 E HN 0.487 nan 8.360 nan 0.000 0.491 186 K N 0.490 120.890 120.400 0.000 0.000 2.110 186 K HA 0.353 4.673 4.320 0.001 0.000 0.263 186 K C 0.112 176.713 176.600 0.001 0.000 0.975 186 K CA -0.325 55.961 56.287 -0.002 0.000 0.895 186 K CB 1.721 34.212 32.500 -0.016 0.000 1.060 186 K HN -0.200 nan 8.250 nan 0.000 0.448 187 S N 0.427 116.137 115.700 0.016 0.000 2.672 187 S HA 0.410 4.881 4.470 0.001 0.000 0.276 187 S C -0.843 173.776 174.600 0.032 0.000 1.207 187 S CA -0.644 57.577 58.200 0.034 0.000 1.002 187 S CB 0.976 64.204 63.200 0.045 0.000 0.998 187 S HN 0.642 nan 8.310 nan 0.000 0.542 188 C N 0.897 120.240 119.300 0.072 0.000 2.985 188 C HA 0.603 5.063 4.460 0.001 0.000 0.332 188 C C -0.370 174.736 174.990 0.193 0.000 1.164 188 C CA -0.628 58.447 59.018 0.094 0.000 1.347 188 C CB 0.691 28.434 27.740 0.005 0.000 1.764 188 C HN 0.955 nan 8.230 nan 0.000 0.489 189 D N 1.346 121.849 120.400 0.173 0.000 2.435 189 D HA 0.476 5.116 4.640 0.001 0.000 0.230 189 D C 1.163 177.569 176.300 0.177 0.000 1.215 189 D CA 0.605 54.692 54.000 0.146 0.000 0.947 189 D CB -0.120 40.737 40.800 0.095 0.000 1.048 189 D HN 1.894 nan 8.370 nan 0.000 0.512 190 G N 0.500 109.397 108.800 0.162 0.000 2.672 190 G HA2 -0.093 3.868 3.960 0.001 0.000 0.197 190 G HA3 -0.093 3.868 3.960 0.001 0.000 0.197 190 G C -0.112 174.740 174.900 -0.081 0.000 0.995 190 G CA -0.651 44.471 45.100 0.037 0.000 0.754 190 G HN 0.480 nan 8.290 nan 0.000 0.505 191 W N 1.151 122.466 121.300 0.025 0.000 2.573 191 W HA 0.783 5.444 4.660 0.001 0.000 0.326 191 W C 0.395 176.937 176.519 0.037 0.000 1.049 191 W CA -0.897 56.467 57.345 0.032 0.000 1.220 191 W CB 1.182 30.663 29.460 0.034 0.000 1.373 191 W HN -0.014 nan 8.180 nan 0.000 0.507 192 L N 3.692 125.063 121.223 0.247 0.000 2.349 192 L HA 0.179 4.519 4.340 0.001 0.000 0.275 192 L C 0.690 177.691 176.870 0.218 0.000 1.115 192 L CA -0.492 54.454 54.840 0.177 0.000 0.820 192 L CB 0.360 42.490 42.059 0.119 0.000 1.135 192 L HN 0.392 nan 8.230 nan 0.000 0.445 193 N N 2.449 121.240 118.700 0.152 0.000 2.402 193 N HA -0.034 4.707 4.740 0.001 0.000 0.252 193 N C 0.509 176.098 175.510 0.133 0.000 1.118 193 N CA 0.096 53.232 53.050 0.143 0.000 0.945 193 N CB 0.571 39.112 38.487 0.090 0.000 1.147 193 N HN 0.541 nan 8.380 nan 0.000 0.495 194 F N 5.141 125.126 119.950 0.058 0.000 2.113 194 F HA -0.058 4.469 4.527 0.001 0.000 0.297 194 F C 1.826 177.641 175.800 0.024 0.000 1.103 194 F CA 1.409 59.434 58.000 0.041 0.000 1.248 194 F CB 0.233 39.258 39.000 0.041 0.000 0.999 194 F HN 0.454 nan 8.300 nan 0.000 0.475 195 K N 0.192 120.695 120.400 0.171 0.000 2.032 195 K HA -0.220 4.100 4.320 0.001 0.000 0.209 195 K C 2.385 178.950 176.600 -0.057 0.000 1.048 195 K CA 1.853 58.180 56.287 0.066 0.000 0.927 195 K CB -0.409 32.163 32.500 0.119 0.000 0.712 195 K HN 0.071 nan 8.250 nan 0.000 0.441 196 K N 1.340 121.724 120.400 -0.027 0.000 2.032 196 K HA -0.087 4.233 4.320 0.001 0.000 0.209 196 K C 2.105 178.655 176.600 -0.083 0.000 1.048 196 K CA 1.236 57.502 56.287 -0.035 0.000 0.927 196 K CB -0.663 31.834 32.500 -0.005 0.000 0.712 196 K HN 0.229 nan 8.250 nan 0.000 0.441 197 L N 0.159 121.305 121.223 -0.129 0.000 2.131 197 L HA -0.077 4.264 4.340 0.001 0.000 0.210 197 L C 2.600 179.330 176.870 -0.233 0.000 1.092 197 L CA 1.121 55.863 54.840 -0.163 0.000 0.759 197 L CB -0.466 41.489 42.059 -0.173 0.000 0.903 197 L HN 0.241 nan 8.230 nan 0.000 0.435 198 L N 0.223 121.224 121.223 -0.370 0.000 2.046 198 L HA -0.195 4.145 4.340 0.001 0.000 0.208 198 L C 2.072 178.847 176.870 -0.158 0.000 1.077 198 L CA 1.801 56.434 54.840 -0.346 0.000 0.747 198 L CB -0.584 41.204 42.059 -0.451 0.000 0.896 198 L HN 0.201 nan 8.230 nan 0.000 0.432 199 N N -0.205 118.430 118.700 -0.110 0.000 2.223 199 N HA -0.169 4.572 4.740 0.001 0.000 0.185 199 N C 1.612 177.093 175.510 -0.048 0.000 1.016 199 N CA 1.433 54.451 53.050 -0.053 0.000 0.863 199 N CB -0.058 38.410 38.487 -0.031 0.000 0.983 199 N HN 0.532 nan 8.380 nan 0.000 0.429 200 E N -0.145 120.017 120.200 -0.062 0.000 2.299 200 E HA 0.170 4.520 4.350 0.001 0.000 0.193 200 E C 0.460 177.031 176.600 -0.048 0.000 0.998 200 E CA 0.050 56.421 56.400 -0.047 0.000 0.851 200 E CB 0.164 29.837 29.700 -0.045 0.000 0.795 200 E HN 0.287 nan 8.360 nan 0.000 0.492 201 A N 1.352 124.131 122.820 -0.068 0.000 2.406 201 A HA 0.170 4.490 4.320 0.001 0.000 0.243 201 A C 0.363 177.924 177.584 -0.039 0.000 1.082 201 A CA -0.148 51.855 52.037 -0.058 0.000 0.786 201 A CB 0.646 19.595 19.000 -0.085 0.000 1.029 201 A HN 0.104 nan 8.150 nan 0.000 0.495 202 S N -0.698 114.986 115.700 -0.027 0.000 2.584 202 S HA 0.294 4.764 4.470 0.001 0.000 0.273 202 S C 1.397 175.984 174.600 -0.021 0.000 1.311 202 S CA 0.176 58.363 58.200 -0.022 0.000 1.034 202 S CB 0.494 63.680 63.200 -0.023 0.000 0.939 202 S HN 1.272 nan 8.310 nan 0.000 0.513 203 T N 1.242 115.784 114.554 -0.020 0.000 3.148 203 T HA 0.151 4.501 4.350 0.001 0.000 0.253 203 T C 0.458 175.144 174.700 -0.023 0.000 1.134 203 T CA 0.076 62.167 62.100 -0.016 0.000 1.051 203 T CB -0.442 68.423 68.868 -0.006 0.000 0.959 203 T HN 0.483 nan 8.240 nan 0.000 0.525 204 T N 2.727 117.254 114.554 -0.046 0.000 2.771 204 T HA 0.399 4.750 4.350 0.001 0.000 0.281 204 T C -1.094 173.533 174.700 -0.122 0.000 0.982 204 T CA -0.582 61.455 62.100 -0.104 0.000 0.978 204 T CB 1.068 69.844 68.868 -0.153 0.000 0.930 204 T HN 0.426 nan 8.240 nan 0.000 0.447 205 H N 2.455 121.375 119.070 -0.250 0.000 2.966 205 H HA 0.240 4.796 4.556 0.000 0.000 0.347 205 H C -1.115 174.071 175.328 -0.236 0.000 1.048 205 H CA -0.544 55.357 56.048 -0.244 0.000 1.295 205 H CB 0.969 30.670 29.762 -0.101 0.000 1.744 205 H HN 0.744 nan 8.280 nan 0.000 0.513 206 H N 3.385 122.173 119.070 -0.469 0.000 2.864 206 H HA 0.124 4.680 4.556 0.000 0.000 0.281 206 H C 0.412 175.600 175.328 -0.234 0.000 1.093 206 H CA -0.103 55.783 56.048 -0.269 0.000 1.453 206 H CB 0.342 29.970 29.762 -0.223 0.000 1.462 206 H HN 0.410 nan 8.280 nan 0.000 0.480 207 C N 5.189 124.561 119.300 0.119 0.000 2.633 207 C HA 0.051 4.511 4.460 0.001 0.000 0.415 207 C C 0.750 175.786 174.990 0.076 0.000 1.393 207 C CA -0.583 58.532 59.018 0.162 0.000 1.700 207 C CB -1.112 26.687 27.740 0.099 0.000 2.541 207 C HN 0.613 nan 8.230 nan 0.000 0.603 208 V N 7.928 127.900 119.914 0.096 0.000 2.673 208 V HA 0.042 4.162 4.120 0.001 0.000 0.303 208 V C 0.897 176.964 176.094 -0.045 0.000 1.046 208 V CA 0.545 62.860 62.300 0.025 0.000 1.126 208 V CB 0.531 32.379 31.823 0.041 0.000 0.934 208 V HN 0.799 nan 8.190 nan 0.000 0.487 209 E N 3.388 123.556 120.200 -0.053 0.000 1.842 209 E HA 0.068 4.418 4.350 0.001 0.000 0.278 209 E C 0.506 177.038 176.600 -0.113 0.000 1.171 209 E CA -0.162 56.192 56.400 -0.077 0.000 1.127 209 E CB -0.191 29.477 29.700 -0.052 0.000 1.100 209 E HN 0.865 nan 8.360 nan 0.000 0.456 210 T N -1.038 113.385 114.554 -0.218 0.000 2.919 210 T HA 0.315 4.665 4.350 0.001 0.000 0.302 210 T C 0.804 175.371 174.700 -0.222 0.000 1.031 210 T CA -0.819 61.060 62.100 -0.368 0.000 1.127 210 T CB 1.645 69.877 68.868 -1.059 0.000 0.952 210 T HN 0.246 nan 8.240 nan 0.000 0.540 211 G N 1.199 109.941 108.800 -0.098 0.000 2.503 211 G HA2 0.365 4.325 3.960 0.001 0.000 0.257 211 G HA3 0.365 4.325 3.960 0.001 0.000 0.257 211 G C 0.910 175.893 174.900 0.138 0.000 1.214 211 G CA -0.784 44.335 45.100 0.033 0.000 0.839 211 G HN 0.734 nan 8.290 nan 0.000 0.559 212 S N 0.209 116.009 115.700 0.165 0.000 2.382 212 S HA -0.113 4.358 4.470 0.001 0.000 0.228 212 S C 2.114 176.837 174.600 0.205 0.000 1.027 212 S CA 1.143 59.472 58.200 0.215 0.000 0.991 212 S CB -0.032 63.250 63.200 0.138 0.000 0.823 212 S HN 0.650 nan 8.310 nan 0.000 0.469 213 Q N 0.407 120.301 119.800 0.157 0.000 2.319 213 Q HA 0.225 4.565 4.340 0.001 0.000 0.202 213 Q C 0.327 176.414 176.000 0.145 0.000 0.896 213 Q CA -0.020 55.858 55.803 0.123 0.000 0.942 213 Q CB 0.203 28.990 28.738 0.082 0.000 1.083 213 Q HN 0.592 nan 8.270 nan 0.000 0.510 214 E N 1.229 121.565 120.200 0.228 0.000 2.360 214 E HA 0.287 4.637 4.350 0.001 0.000 0.269 214 E C -0.596 176.160 176.600 0.261 0.000 1.022 214 E CA -0.299 56.253 56.400 0.254 0.000 0.887 214 E CB 0.739 30.618 29.700 0.299 0.000 0.990 214 E HN 0.167 nan 8.360 nan 0.000 0.426 215 A N 3.500 126.389 122.820 0.115 0.000 2.565 215 A HA -0.008 4.313 4.320 0.001 0.000 0.237 215 A C 0.835 178.325 177.584 -0.156 0.000 1.053 215 A CA 0.774 52.798 52.037 -0.021 0.000 0.755 215 A CB 0.630 19.606 19.000 -0.040 0.000 0.980 215 A HN 0.654 nan 8.150 nan 0.000 0.506 216 S N 0.982 116.431 115.700 -0.420 0.000 2.613 216 S HA 0.552 5.022 4.470 0.001 0.000 0.235 216 S C 0.455 174.653 174.600 -0.670 0.000 1.073 216 S CA 0.944 58.700 58.200 -0.741 0.000 0.899 216 S CB -0.009 62.565 63.200 -1.043 0.000 0.818 216 S HN 1.979 nan 8.310 nan 0.000 0.484 217 A N 0.587 123.028 122.820 -0.633 0.000 2.594 217 A HA 0.739 5.059 4.320 0.001 0.000 0.295 217 A C -1.678 175.679 177.584 -0.379 0.000 1.071 217 A CA -0.607 50.896 52.037 -0.890 0.000 0.685 217 A CB 1.015 19.112 19.000 -1.505 0.000 1.285 217 A HN 0.364 nan 8.150 nan 0.000 0.405 218 I N 1.306 121.662 120.570 -0.356 0.000 2.418 218 I HA 0.368 4.539 4.170 0.001 0.000 0.287 218 I C -1.535 174.483 176.117 -0.167 0.000 1.008 218 I CA -0.350 60.844 61.300 -0.176 0.000 1.104 218 I CB 1.659 39.546 38.000 -0.188 0.000 1.264 218 I HN 0.666 nan 8.210 nan 0.000 0.438 219 Y N 5.425 125.721 120.300 -0.006 0.000 2.335 219 Y HA 0.414 4.964 4.550 0.000 0.000 0.338 219 Y C -0.192 175.757 175.900 0.083 0.000 0.977 219 Y CA -0.448 57.718 58.100 0.111 0.000 1.114 219 Y CB 1.371 39.915 38.460 0.139 0.000 1.182 219 Y HN 0.335 nan 8.280 nan 0.000 0.463 220 F N 2.040 122.152 119.950 0.269 0.000 2.504 220 F HA 0.285 4.812 4.527 -0.000 0.000 0.369 220 F C 0.741 176.703 175.800 0.269 0.000 1.082 220 F CA 0.425 58.580 58.000 0.259 0.000 1.216 220 F CB 0.926 40.069 39.000 0.238 0.000 1.108 220 F HN 0.269 nan 8.300 nan 0.000 0.554 221 T N 3.068 117.842 114.554 0.368 0.000 2.916 221 T HA 0.389 4.740 4.350 0.001 0.000 0.298 221 T C -0.426 174.411 174.700 0.230 0.000 1.031 221 T CA -0.652 61.617 62.100 0.281 0.000 0.993 221 T CB 0.786 69.786 68.868 0.220 0.000 1.045 221 T HN 0.488 nan 8.240 nan 0.000 0.454 222 S N 2.335 118.151 115.700 0.193 0.000 2.576 222 S HA 0.595 5.066 4.470 0.001 0.000 0.276 222 S C 0.623 175.280 174.600 0.096 0.000 1.339 222 S CA -0.400 57.885 58.200 0.142 0.000 1.039 222 S CB 0.855 64.141 63.200 0.144 0.000 0.902 222 S HN 0.942 nan 8.310 nan 0.000 0.516 223 G N 0.058 108.894 108.800 0.059 0.000 2.511 223 G HA2 0.434 4.394 3.960 0.001 0.000 0.318 223 G HA3 0.434 4.394 3.960 0.001 0.000 0.318 223 G C 0.667 175.578 174.900 0.019 0.000 1.210 223 G CA -0.441 44.673 45.100 0.024 0.000 0.969 223 G HN 0.593 nan 8.290 nan 0.000 0.484 224 T N -1.075 113.482 114.554 0.006 0.000 2.881 224 T HA 0.048 4.398 4.350 0.001 0.000 0.270 224 T C 1.162 175.863 174.700 0.001 0.000 1.068 224 T CA 1.899 64.001 62.100 0.004 0.000 1.131 224 T CB -0.395 68.467 68.868 -0.010 0.000 0.871 224 T HN 1.064 nan 8.240 nan 0.000 0.479 225 S N -1.952 113.746 115.700 -0.005 0.000 2.671 225 S HA 0.684 5.154 4.470 0.001 0.000 0.277 225 S C 0.357 174.955 174.600 -0.004 0.000 1.165 225 S CA -0.141 58.056 58.200 -0.004 0.000 0.822 225 S CB 1.264 64.460 63.200 -0.007 0.000 1.150 225 S HN 1.012 nan 8.310 nan 0.000 0.479 226 G N 0.033 108.831 108.800 -0.003 0.000 2.697 226 G HA2 -0.109 3.851 3.960 0.001 0.000 0.240 226 G HA3 -0.109 3.851 3.960 0.001 0.000 0.240 226 G C -0.830 174.062 174.900 -0.013 0.000 1.346 226 G CA -0.077 45.022 45.100 -0.000 0.000 0.887 226 G HN 1.149 nan 8.290 nan 0.000 0.569 227 L N 0.756 121.973 121.223 -0.010 0.000 2.358 227 L HA 0.524 4.864 4.340 0.001 0.000 0.268 227 L C -1.860 175.045 176.870 0.058 0.000 1.032 227 L CA -2.064 52.720 54.840 -0.094 0.000 0.805 227 L CB 1.535 43.384 42.059 -0.351 0.000 1.253 227 L HN 0.362 nan 8.230 nan 0.000 0.452 228 P HA 0.039 nan 4.420 nan 0.000 0.264 228 P C -1.138 176.400 177.300 0.396 0.000 1.183 228 P CA 0.191 63.463 63.100 0.285 0.000 0.763 228 P CB 0.337 32.286 31.700 0.416 0.000 0.807 229 K N 2.264 122.792 120.400 0.214 0.000 2.090 229 K HA 0.497 4.817 4.320 0.001 0.000 0.249 229 K C 0.150 176.797 176.600 0.078 0.000 0.995 229 K CA -0.653 55.698 56.287 0.108 0.000 0.914 229 K CB 0.768 33.157 32.500 -0.185 0.000 1.057 229 K HN 0.398 nan 8.250 nan 0.000 0.462 230 M N 2.089 121.672 119.600 -0.027 0.000 2.111 230 M HA 0.220 4.700 4.480 0.001 0.000 0.351 230 M C -0.596 175.761 176.300 0.096 0.000 1.214 230 M CA -0.504 54.642 55.300 -0.258 0.000 1.120 230 M CB 1.299 33.646 32.600 -0.422 0.000 1.443 230 M HN 0.641 nan 8.290 nan 0.000 0.429 231 A N 3.619 126.530 122.820 0.152 0.000 2.347 231 A HA 0.276 4.597 4.320 0.001 0.000 0.287 231 A C -0.136 177.528 177.584 0.134 0.000 1.199 231 A CA -0.386 51.782 52.037 0.217 0.000 0.851 231 A CB 0.139 19.194 19.000 0.090 0.000 1.118 231 A HN 0.792 nan 8.150 nan 0.000 0.525 232 E N 2.543 122.762 120.200 0.032 0.000 2.227 232 E HA 0.315 4.665 4.350 0.001 0.000 0.282 232 E C -0.884 175.631 176.600 -0.142 0.000 1.015 232 E CA -0.446 55.901 56.400 -0.088 0.000 0.823 232 E CB 0.510 30.105 29.700 -0.175 0.000 1.081 232 E HN 0.801 nan 8.360 nan 0.000 0.396 233 H N 1.405 120.455 119.070 -0.034 0.000 2.621 233 H HA 0.261 4.818 4.556 0.001 0.000 0.360 233 H C -0.174 175.091 175.328 -0.104 0.000 1.163 233 H CA -0.549 55.480 56.048 -0.031 0.000 1.194 233 H CB 2.036 31.793 29.762 -0.009 0.000 1.649 233 H HN 0.644 nan 8.280 nan 0.000 0.532 234 S N 1.027 116.784 115.700 0.095 0.000 2.730 234 S HA 0.141 4.611 4.470 0.001 0.000 0.284 234 S C 0.893 175.521 174.600 0.045 0.000 1.153 234 S CA -0.569 57.661 58.200 0.050 0.000 0.995 234 S CB 0.582 63.848 63.200 0.109 0.000 1.058 234 S HN 0.560 nan 8.310 nan 0.000 0.552 235 Y N 0.818 121.225 120.300 0.179 0.000 2.333 235 Y HA -0.092 4.459 4.550 0.000 0.000 0.290 235 Y C 3.029 179.109 175.900 0.300 0.000 1.144 235 Y CA 1.582 59.852 58.100 0.283 0.000 1.228 235 Y CB -0.346 38.307 38.460 0.321 0.000 0.985 235 Y HN 0.833 nan 8.280 nan 0.000 0.542 236 S N -1.751 114.108 115.700 0.264 0.000 2.456 236 S HA -0.092 4.379 4.470 0.001 0.000 0.224 236 S C 2.082 176.677 174.600 -0.008 0.000 1.035 236 S CA 0.409 58.607 58.200 -0.003 0.000 0.940 236 S CB -0.742 62.430 63.200 -0.047 0.000 0.799 236 S HN 0.400 nan 8.310 nan 0.000 0.508 237 S N 1.948 117.694 115.700 0.076 0.000 2.419 237 S HA 0.085 4.555 4.470 0.001 0.000 0.233 237 S C 1.698 176.323 174.600 0.042 0.000 1.016 237 S CA 0.911 59.176 58.200 0.109 0.000 0.974 237 S CB -0.664 62.701 63.200 0.275 0.000 0.786 237 S HN 0.535 nan 8.310 nan 0.000 0.492 238 L N 0.414 121.648 121.223 0.020 0.000 2.276 238 L HA 0.343 4.684 4.340 0.001 0.000 0.194 238 L C 3.018 179.919 176.870 0.052 0.000 1.099 238 L CA 0.743 55.559 54.840 -0.039 0.000 0.800 238 L CB -1.163 40.874 42.059 -0.035 0.000 0.994 238 L HN 0.441 nan 8.230 nan 0.000 0.475 239 G N 0.192 109.115 108.800 0.205 0.000 2.404 239 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 239 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 239 G C 1.511 176.613 174.900 0.337 0.000 1.174 239 G CA 0.617 46.016 45.100 0.498 0.000 0.780 239 G HN 0.124 nan 8.290 nan 0.000 0.537 240 L N 0.742 121.809 121.223 -0.261 0.000 2.056 240 L HA 0.153 4.494 4.340 0.001 0.000 0.207 240 L C 2.624 179.409 176.870 -0.141 0.000 1.078 240 L CA 2.137 56.646 54.840 -0.552 0.000 0.749 240 L CB -0.582 40.955 42.059 -0.871 0.000 0.901 240 L HN 0.192 nan 8.230 nan 0.000 0.433 241 K N 0.295 120.642 120.400 -0.089 0.000 2.020 241 K HA -0.141 4.179 4.320 0.001 0.000 0.212 241 K C 2.011 178.612 176.600 0.002 0.000 1.050 241 K CA 2.023 58.274 56.287 -0.060 0.000 0.929 241 K CB -0.831 31.629 32.500 -0.067 0.000 0.714 241 K HN 0.377 nan 8.250 nan 0.000 0.443 242 A N 0.787 123.653 122.820 0.076 0.000 1.933 242 A HA -0.201 4.119 4.320 0.001 0.000 0.218 242 A C 2.177 179.918 177.584 0.262 0.000 1.175 242 A CA 2.023 54.163 52.037 0.172 0.000 0.628 242 A CB -0.614 18.498 19.000 0.185 0.000 0.814 242 A HN 0.468 nan 8.150 nan 0.000 0.444 243 K N -0.978 119.599 120.400 0.295 0.000 2.057 243 K HA -0.093 4.228 4.320 0.001 0.000 0.207 243 K C 2.018 178.723 176.600 0.174 0.000 1.049 243 K CA 1.714 58.171 56.287 0.285 0.000 0.931 243 K CB -0.230 32.444 32.500 0.289 0.000 0.714 243 K HN 0.494 nan 8.250 nan 0.000 0.440 244 M N 0.733 120.391 119.600 0.096 0.000 2.229 244 M HA -0.123 4.357 4.480 0.001 0.000 0.264 244 M C 0.851 177.190 176.300 0.065 0.000 1.063 244 M CA 1.289 56.620 55.300 0.051 0.000 1.114 244 M CB 0.172 32.765 32.600 -0.012 0.000 1.387 244 M HN 0.045 nan 8.290 nan 0.000 0.420 245 D N 0.811 121.261 120.400 0.083 0.000 2.349 245 D HA 0.129 4.770 4.640 0.001 0.000 0.224 245 D C 0.366 176.845 176.300 0.298 0.000 1.029 245 D CA 0.210 54.291 54.000 0.135 0.000 0.879 245 D CB -0.140 40.693 40.800 0.055 0.000 0.906 245 D HN 0.187 nan 8.370 nan 0.000 0.528 246 A N 0.287 123.258 122.820 0.252 0.000 2.553 246 A HA 0.372 4.693 4.320 0.001 0.000 0.258 246 A C 1.562 179.275 177.584 0.215 0.000 1.069 246 A CA 0.975 53.169 52.037 0.262 0.000 0.767 246 A CB -0.265 18.891 19.000 0.261 0.000 0.997 246 A HN 0.360 nan 8.150 nan 0.000 0.512 247 G N 1.836 110.736 108.800 0.166 0.000 2.184 247 G HA2 -0.256 3.704 3.960 0.001 0.000 0.206 247 G HA3 -0.256 3.704 3.960 0.001 0.000 0.206 247 G C 0.892 175.841 174.900 0.082 0.000 0.995 247 G CA 0.626 45.782 45.100 0.093 0.000 0.651 247 G HN 1.615 nan 8.290 nan 0.000 0.511 248 W N 1.805 123.133 121.300 0.047 0.000 2.364 248 W HA -0.078 4.583 4.660 0.001 0.000 0.281 248 W C 1.501 178.039 176.519 0.031 0.000 1.219 248 W CA 2.026 59.387 57.345 0.027 0.000 1.220 248 W CB -1.417 28.045 29.460 0.003 0.000 1.127 248 W HN 0.672 nan 8.180 nan 0.000 0.556 249 T N -2.293 111.810 114.554 -0.752 0.000 3.148 249 T HA 0.345 4.695 4.350 0.001 0.000 0.253 249 T C 1.752 176.286 174.700 -0.276 0.000 1.134 249 T CA 1.016 62.654 62.100 -0.770 0.000 1.051 249 T CB -0.407 67.912 68.868 -0.914 0.000 0.959 249 T HN 0.526 nan 8.240 nan 0.000 0.525 250 G N 0.632 109.356 108.800 -0.127 0.000 2.268 250 G HA2 -0.231 3.730 3.960 0.001 0.000 0.240 250 G HA3 -0.231 3.730 3.960 0.001 0.000 0.240 250 G C -0.041 174.847 174.900 -0.021 0.000 1.010 250 G CA -0.025 45.055 45.100 -0.033 0.000 0.618 250 G HN 0.669 nan 8.290 nan 0.000 0.516 251 L N 1.141 122.328 121.223 -0.061 0.000 2.503 251 L HA 0.477 4.818 4.340 0.001 0.000 0.287 251 L C 0.648 177.533 176.870 0.025 0.000 1.252 251 L CA 1.006 55.836 54.840 -0.015 0.000 0.835 251 L CB 0.435 42.474 42.059 -0.034 0.000 1.099 251 L HN 0.534 nan 8.230 nan 0.000 0.516 252 Q N 1.447 121.273 119.800 0.044 0.000 2.553 252 Q HA 0.470 4.810 4.340 0.001 0.000 0.293 252 Q C 0.614 176.640 176.000 0.043 0.000 1.038 252 Q CA -0.294 55.541 55.803 0.052 0.000 0.777 252 Q CB 1.600 30.370 28.738 0.053 0.000 1.487 252 Q HN 0.742 nan 8.270 nan 0.000 0.426 253 A N 0.668 123.503 122.820 0.025 0.000 1.917 253 A HA -0.186 4.135 4.320 0.001 0.000 0.219 253 A C 1.564 179.129 177.584 -0.031 0.000 1.182 253 A CA 2.477 54.486 52.037 -0.047 0.000 0.633 253 A CB -0.512 18.456 19.000 -0.054 0.000 0.819 253 A HN 0.638 nan 8.150 nan 0.000 0.448 254 S N -0.685 115.026 115.700 0.020 0.000 2.573 254 S HA 0.295 4.766 4.470 0.001 0.000 0.244 254 S C -0.569 174.077 174.600 0.076 0.000 0.984 254 S CA -0.590 57.638 58.200 0.046 0.000 1.001 254 S CB -0.186 63.040 63.200 0.044 0.000 0.788 254 S HN 0.350 nan 8.310 nan 0.000 0.456 255 D N 1.266 121.716 120.400 0.083 0.000 2.442 255 D HA 0.537 5.177 4.640 0.001 0.000 0.254 255 D C -0.280 176.096 176.300 0.128 0.000 1.069 255 D CA -0.609 53.449 54.000 0.096 0.000 1.017 255 D CB 1.149 41.996 40.800 0.079 0.000 1.172 255 D HN 0.244 nan 8.370 nan 0.000 0.561 256 I N 1.002 121.645 120.570 0.123 0.000 2.406 256 I HA 0.326 4.497 4.170 0.001 0.000 0.290 256 I C -0.409 175.775 176.117 0.111 0.000 0.999 256 I CA -0.614 60.773 61.300 0.145 0.000 1.124 256 I CB 1.654 39.732 38.000 0.129 0.000 1.289 256 I HN 0.074 nan 8.210 nan 0.000 0.441 257 M N 6.563 126.247 119.600 0.141 0.000 2.364 257 M HA 0.367 4.847 4.480 0.001 0.000 0.334 257 M C -1.732 174.712 176.300 0.239 0.000 1.107 257 M CA -0.377 55.002 55.300 0.131 0.000 0.988 257 M CB 2.025 34.669 32.600 0.074 0.000 1.673 257 M HN 0.612 nan 8.290 nan 0.000 0.441 258 W N 5.604 126.894 121.300 -0.017 0.000 2.394 258 W HA 0.447 5.107 4.660 0.001 0.000 0.312 258 W C -1.125 175.386 176.519 -0.014 0.000 0.981 258 W CA -0.704 56.648 57.345 0.011 0.000 1.519 258 W CB 0.764 30.186 29.460 -0.064 0.000 1.304 258 W HN 0.557 nan 8.180 nan 0.000 0.412 259 T N 6.607 121.223 114.554 0.103 0.000 2.814 259 T HA 0.321 4.671 4.350 0.001 0.000 0.297 259 T C 0.260 174.843 174.700 -0.195 0.000 0.956 259 T CA 0.174 62.233 62.100 -0.068 0.000 1.123 259 T CB 0.522 69.409 68.868 0.032 0.000 0.902 259 T HN 0.161 nan 8.240 nan 0.000 0.528 260 I N 3.430 123.778 120.570 -0.371 0.000 2.307 260 I HA 0.401 4.572 4.170 0.001 0.000 0.287 260 I C 0.366 176.463 176.117 -0.034 0.000 1.054 260 I CA -0.144 60.959 61.300 -0.328 0.000 1.218 260 I CB 0.834 38.489 38.000 -0.575 0.000 1.398 260 I HN 0.494 nan 8.210 nan 0.000 0.475 261 S N 4.826 120.541 115.700 0.026 0.000 2.533 261 S HA 0.198 4.668 4.470 0.001 0.000 0.271 261 S C -1.020 173.432 174.600 -0.246 0.000 1.143 261 S CA -0.837 57.392 58.200 0.049 0.000 0.891 261 S CB 1.693 64.971 63.200 0.130 0.000 1.105 261 S HN 0.613 nan 8.310 nan 0.000 0.468 262 D N 2.394 122.325 120.400 -0.782 0.000 2.493 262 D HA 0.016 4.657 4.640 0.001 0.000 0.240 262 D C 1.696 177.637 176.300 -0.598 0.000 1.142 262 D CA 0.785 54.257 54.000 -0.880 0.000 0.872 262 D CB 1.464 41.265 40.800 -1.665 0.000 1.173 262 D HN 0.753 nan 8.370 nan 0.000 0.467 263 T N 0.610 114.844 114.554 -0.533 0.000 2.929 263 T HA -0.062 4.289 4.350 0.001 0.000 0.271 263 T C 1.712 176.230 174.700 -0.303 0.000 1.085 263 T CA 0.928 62.571 62.100 -0.761 0.000 1.125 263 T CB -0.171 68.032 68.868 -1.108 0.000 0.874 263 T HN 0.399 nan 8.240 nan 0.000 0.494 264 G N -0.358 108.356 108.800 -0.143 0.000 2.920 264 G HA2 0.171 4.131 3.960 0.001 0.000 0.208 264 G HA3 0.171 4.131 3.960 0.001 0.000 0.208 264 G C 0.046 175.152 174.900 0.343 0.000 1.159 264 G CA -0.632 44.551 45.100 0.138 0.000 0.784 264 G HN 0.387 nan 8.290 nan 0.000 0.535 265 W N -0.262 121.071 121.300 0.054 0.000 2.251 265 W HA 0.425 5.085 4.660 0.000 0.000 0.329 265 W C 1.187 177.696 176.519 -0.017 0.000 1.234 265 W CA -1.900 55.428 57.345 -0.029 0.000 1.228 265 W CB 0.712 30.062 29.460 -0.184 0.000 1.135 265 W HN -0.104 nan 8.180 nan 0.000 0.576 266 I N 2.532 123.058 120.570 -0.073 0.000 2.614 266 I HA -0.281 3.890 4.170 0.001 0.000 0.258 266 I C 2.173 178.207 176.117 -0.138 0.000 1.189 266 I CA 0.690 61.739 61.300 -0.418 0.000 1.462 266 I CB -0.052 37.517 38.000 -0.718 0.000 1.092 266 I HN 0.356 nan 8.210 nan 0.000 0.442 267 L N 0.875 122.064 121.223 -0.055 0.000 2.043 267 L HA -0.318 4.022 4.340 0.001 0.000 0.212 267 L C 2.038 178.926 176.870 0.030 0.000 1.075 267 L CA 2.077 56.907 54.840 -0.016 0.000 0.752 267 L CB -1.194 40.865 42.059 0.000 0.000 0.891 267 L HN 0.349 nan 8.230 nan 0.000 0.432 268 N N -0.972 117.754 118.700 0.044 0.000 2.223 268 N HA -0.204 4.536 4.740 0.001 0.000 0.185 268 N C 1.875 177.392 175.510 0.012 0.000 1.016 268 N CA 1.274 54.291 53.050 -0.055 0.000 0.863 268 N CB -0.006 38.271 38.487 -0.350 0.000 0.983 268 N HN 0.402 nan 8.380 nan 0.000 0.429 269 I N 1.046 121.694 120.570 0.130 0.000 2.406 269 I HA -0.078 4.093 4.170 0.001 0.000 0.249 269 I C 1.876 178.004 176.117 0.019 0.000 1.122 269 I CA 0.909 62.298 61.300 0.147 0.000 1.431 269 I CB -0.102 38.068 38.000 0.283 0.000 1.087 269 I HN 0.121 nan 8.210 nan 0.000 0.424 270 L N -1.215 120.012 121.223 0.006 0.000 2.162 270 L HA -0.132 4.209 4.340 0.001 0.000 0.205 270 L C 2.508 179.423 176.870 0.073 0.000 1.086 270 L CA 0.982 55.828 54.840 0.010 0.000 0.778 270 L CB -0.420 41.630 42.059 -0.015 0.000 0.928 270 L HN 0.376 nan 8.230 nan 0.000 0.446 271 C N -2.051 117.291 119.300 0.071 0.000 2.469 271 C HA 0.051 4.512 4.460 0.001 0.000 0.309 271 C C 3.166 178.173 174.990 0.028 0.000 1.385 271 C CA 0.620 59.681 59.018 0.072 0.000 1.890 271 C CB 0.383 28.171 27.740 0.080 0.000 2.245 271 C HN 0.460 nan 8.230 nan 0.000 0.530 272 S N -0.278 115.455 115.700 0.054 0.000 2.423 272 S HA -0.013 4.457 4.470 0.001 0.000 0.231 272 S C 1.556 176.174 174.600 0.029 0.000 1.014 272 S CA 1.562 59.832 58.200 0.117 0.000 0.965 272 S CB -0.195 63.169 63.200 0.272 0.000 0.785 272 S HN 0.660 nan 8.310 nan 0.000 0.495 273 L N -0.969 120.208 121.223 -0.076 0.000 2.541 273 L HA 0.381 4.721 4.340 0.001 0.000 0.187 273 L C 2.160 178.812 176.870 -0.362 0.000 1.098 273 L CA 0.347 54.950 54.840 -0.395 0.000 0.846 273 L CB -0.143 41.834 42.059 -0.137 0.000 1.151 273 L HN 0.264 nan 8.230 nan 0.000 0.492 274 M N -0.265 119.246 119.600 -0.147 0.000 2.160 274 M HA -0.119 4.362 4.480 0.001 0.000 0.264 274 M C 1.984 178.440 176.300 0.260 0.000 1.073 274 M CA 1.473 56.736 55.300 -0.062 0.000 1.142 274 M CB -0.200 32.206 32.600 -0.324 0.000 1.358 274 M HN 0.236 nan 8.290 nan 0.000 0.422 275 E N 1.297 121.594 120.200 0.163 0.000 2.035 275 E HA -0.189 4.162 4.350 0.001 0.000 0.204 275 E C -0.871 175.861 176.600 0.220 0.000 1.025 275 E CA 2.303 58.821 56.400 0.196 0.000 0.835 275 E CB -1.461 28.296 29.700 0.094 0.000 0.764 275 E HN 0.220 nan 8.360 nan 0.000 0.457 276 P HA -0.159 nan 4.420 nan 0.000 0.215 276 P C 0.931 178.514 177.300 0.471 0.000 1.153 276 P CA 1.579 64.810 63.100 0.219 0.000 0.853 276 P CB -0.372 31.403 31.700 0.125 0.000 0.788 277 W N 0.061 121.610 121.300 0.414 0.000 2.678 277 W HA 0.241 4.901 4.660 0.001 0.000 0.256 277 W C 2.540 179.417 176.519 0.597 0.000 1.280 277 W CA 0.216 57.892 57.345 0.552 0.000 1.345 277 W CB -1.816 28.060 29.460 0.695 0.000 1.118 277 W HN 0.008 nan 8.180 nan 0.000 0.629 278 A N 0.072 123.366 122.820 0.790 0.000 1.930 278 A HA -0.104 4.216 4.320 0.001 0.000 0.217 278 A C 2.018 179.983 177.584 0.634 0.000 1.175 278 A CA 1.216 53.644 52.037 0.651 0.000 0.627 278 A CB -0.747 18.579 19.000 0.544 0.000 0.815 278 A HN 0.243 nan 8.150 nan 0.000 0.443 279 L N -1.638 119.840 121.223 0.425 0.000 2.509 279 L HA 0.208 4.549 4.340 0.001 0.000 0.222 279 L C 1.667 178.386 176.870 -0.251 0.000 1.123 279 L CA 0.541 55.526 54.840 0.243 0.000 0.856 279 L CB -0.068 42.082 42.059 0.151 0.000 0.985 279 L HN 0.566 nan 8.230 nan 0.000 0.456 280 G N 0.359 108.732 108.800 -0.712 0.000 2.143 280 G HA2 -0.266 3.694 3.960 0.001 0.000 0.248 280 G HA3 -0.266 3.694 3.960 0.001 0.000 0.248 280 G C 0.366 175.013 174.900 -0.420 0.000 0.991 280 G CA 0.151 44.200 45.100 -1.752 0.000 0.689 280 G HN 0.493 nan 8.290 nan 0.000 0.522 281 A N -1.178 121.676 122.820 0.056 0.000 2.272 281 A HA 0.697 5.017 4.320 0.001 0.000 0.275 281 A C 0.990 178.824 177.584 0.418 0.000 1.096 281 A CA 0.373 52.533 52.037 0.205 0.000 0.822 281 A CB 0.801 19.898 19.000 0.162 0.000 1.088 281 A HN 1.596 nan 8.150 nan 0.000 0.495 282 C N 0.036 119.524 119.300 0.313 0.000 2.365 282 C HA 0.699 5.160 4.460 0.001 0.000 0.351 282 C C 0.779 175.952 174.990 0.304 0.000 1.240 282 C CA 0.058 59.274 59.018 0.329 0.000 2.062 282 C CB 0.170 28.085 27.740 0.292 0.000 2.387 282 C HN 0.874 nan 8.230 nan 0.000 0.537 283 T N 4.660 119.403 114.554 0.315 0.000 2.795 283 T HA 0.524 4.874 4.350 0.001 0.000 0.282 283 T C -0.952 173.852 174.700 0.173 0.000 0.980 283 T CA -0.241 61.962 62.100 0.171 0.000 1.012 283 T CB 0.284 69.128 68.868 -0.040 0.000 0.936 283 T HN 0.549 nan 8.240 nan 0.000 0.457 284 F N 5.326 125.272 119.950 -0.006 0.000 2.421 284 F HA 0.689 5.217 4.527 0.001 0.000 0.337 284 F C -0.841 174.860 175.800 -0.165 0.000 1.105 284 F CA -0.509 57.380 58.000 -0.186 0.000 1.049 284 F CB 1.205 39.960 39.000 -0.410 0.000 1.139 284 F HN 0.298 nan 8.300 nan 0.000 0.479 285 V N 5.832 125.283 119.914 -0.773 0.000 2.577 285 V HA 0.261 4.381 4.120 0.001 0.000 0.303 285 V C -1.009 174.689 176.094 -0.661 0.000 1.042 285 V CA -0.745 61.312 62.300 -0.406 0.000 0.872 285 V CB 1.461 33.086 31.823 -0.331 0.000 0.998 285 V HN 0.683 nan 8.190 nan 0.000 0.423 286 H N 4.118 122.997 119.070 -0.318 0.000 2.481 286 H HA 0.366 4.922 4.556 0.001 0.000 0.333 286 H C 0.485 175.758 175.328 -0.093 0.000 1.066 286 H CA -0.550 55.270 56.048 -0.379 0.000 1.209 286 H CB 2.181 31.809 29.762 -0.223 0.000 1.445 286 H HN 0.616 nan 8.280 nan 0.000 0.488 287 L N 5.568 126.747 121.223 -0.073 0.000 2.043 287 L HA -0.125 4.216 4.340 0.001 0.000 0.212 287 L C 1.323 178.366 176.870 0.288 0.000 1.075 287 L CA 1.331 56.292 54.840 0.201 0.000 0.752 287 L CB -0.482 41.657 42.059 0.134 0.000 0.891 287 L HN 0.872 nan 8.230 nan 0.000 0.432 288 L N -0.201 121.293 121.223 0.451 0.000 3.762 288 L HA -0.223 4.117 4.340 0.001 0.000 0.460 288 L C -1.162 175.813 176.870 0.175 0.000 1.255 288 L CA 0.012 54.980 54.840 0.214 0.000 0.783 288 L CB -1.139 41.005 42.059 0.141 0.000 1.600 288 L HN 0.338 nan 8.230 nan 0.000 0.862 289 P HA -0.171 nan 4.420 nan 0.000 0.217 289 P C 0.919 178.293 177.300 0.123 0.000 1.148 289 P CA 1.478 64.656 63.100 0.129 0.000 0.828 289 P CB 0.088 31.852 31.700 0.107 0.000 0.783 290 K N -2.140 118.331 120.400 0.118 0.000 2.478 290 K HA 0.225 4.546 4.320 0.001 0.000 0.205 290 K C 0.222 176.937 176.600 0.190 0.000 1.033 290 K CA -0.779 55.582 56.287 0.124 0.000 1.091 290 K CB -1.501 31.048 32.500 0.081 0.000 0.844 290 K HN 0.031 nan 8.250 nan 0.000 0.507 291 F N 2.556 122.510 119.950 0.007 0.000 2.970 291 F HA -0.244 4.284 4.527 0.001 0.000 0.251 291 F C -0.154 175.638 175.800 -0.014 0.000 0.993 291 F CA 0.631 58.626 58.000 -0.007 0.000 0.869 291 F CB -0.993 38.012 39.000 0.008 0.000 0.762 291 F HN 0.239 nan 8.300 nan 0.000 0.817 292 D N 1.911 122.235 120.400 -0.128 0.000 2.313 292 D HA 0.236 4.877 4.640 0.001 0.000 0.239 292 D C -1.308 174.873 176.300 -0.198 0.000 1.142 292 D CA -2.052 51.888 54.000 -0.100 0.000 0.847 292 D CB 1.412 42.181 40.800 -0.052 0.000 1.082 292 D HN 0.008 nan 8.370 nan 0.000 0.480 293 P HA -0.164 nan 4.420 nan 0.000 0.216 293 P C 1.624 178.852 177.300 -0.120 0.000 1.150 293 P CA 0.392 63.400 63.100 -0.154 0.000 0.837 293 P CB 0.335 32.001 31.700 -0.056 0.000 0.786 294 L N -0.484 120.691 121.223 -0.080 0.000 2.131 294 L HA -0.101 4.239 4.340 0.001 0.000 0.210 294 L C 2.240 179.021 176.870 -0.148 0.000 1.092 294 L CA 1.614 56.406 54.840 -0.080 0.000 0.759 294 L CB -1.107 40.937 42.059 -0.025 0.000 0.903 294 L HN -0.222 nan 8.230 nan 0.000 0.435 295 V N -0.348 119.477 119.914 -0.147 0.000 2.307 295 V HA -0.288 3.832 4.120 0.001 0.000 0.245 295 V C 2.484 178.457 176.094 -0.202 0.000 1.045 295 V CA 2.079 64.273 62.300 -0.177 0.000 1.024 295 V CB -0.491 31.215 31.823 -0.195 0.000 0.651 295 V HN 0.383 nan 8.190 nan 0.000 0.449 296 I N -0.376 120.075 120.570 -0.197 0.000 2.151 296 I HA -0.299 3.871 4.170 0.001 0.000 0.243 296 I C 2.426 178.504 176.117 -0.065 0.000 1.080 296 I CA 1.663 62.914 61.300 -0.082 0.000 1.339 296 I CB -0.373 37.475 38.000 -0.254 0.000 1.039 296 I HN 0.311 nan 8.210 nan 0.000 0.409 297 L N 0.861 122.000 121.223 -0.140 0.000 2.027 297 L HA -0.185 4.156 4.340 0.001 0.000 0.206 297 L C 2.409 179.134 176.870 -0.242 0.000 1.074 297 L CA 1.875 56.629 54.840 -0.143 0.000 0.745 297 L CB -0.559 41.447 42.059 -0.089 0.000 0.898 297 L HN 0.041 nan 8.230 nan 0.000 0.433 298 K N -1.293 118.868 120.400 -0.399 0.000 2.103 298 K HA -0.162 4.158 4.320 0.001 0.000 0.207 298 K C 1.900 178.415 176.600 -0.141 0.000 1.048 298 K CA 1.963 57.997 56.287 -0.421 0.000 0.930 298 K CB -0.375 31.922 32.500 -0.339 0.000 0.716 298 K HN 0.390 nan 8.250 nan 0.000 0.444 299 T N 1.647 116.141 114.554 -0.099 0.000 2.777 299 T HA -0.049 4.301 4.350 0.001 0.000 0.266 299 T C 1.800 176.440 174.700 -0.099 0.000 1.040 299 T CA 0.826 62.890 62.100 -0.060 0.000 1.141 299 T CB -0.092 68.597 68.868 -0.298 0.000 0.868 299 T HN 0.106 nan 8.240 nan 0.000 0.444 300 L N 0.582 121.760 121.223 -0.076 0.000 2.046 300 L HA -0.111 4.229 4.340 0.001 0.000 0.208 300 L C 2.850 179.808 176.870 0.146 0.000 1.077 300 L CA 1.056 55.847 54.840 -0.080 0.000 0.747 300 L CB -0.485 41.339 42.059 -0.393 0.000 0.896 300 L HN 0.265 nan 8.230 nan 0.000 0.432 301 S N -1.078 114.736 115.700 0.190 0.000 2.371 301 S HA -0.126 4.345 4.470 0.001 0.000 0.224 301 S C 2.082 176.829 174.600 0.245 0.000 1.029 301 S CA 1.600 60.030 58.200 0.383 0.000 0.978 301 S CB 0.052 63.475 63.200 0.372 0.000 0.833 301 S HN 0.392 nan 8.310 nan 0.000 0.466 302 S N -0.566 115.164 115.700 0.049 0.000 2.458 302 S HA 0.247 4.717 4.470 0.001 0.000 0.223 302 S C -0.201 174.162 174.600 -0.395 0.000 1.019 302 S CA 0.170 58.278 58.200 -0.153 0.000 0.937 302 S CB -0.032 63.020 63.200 -0.247 0.000 0.788 302 S HN 0.527 nan 8.310 nan 0.000 0.511 303 Y N 1.379 121.484 120.300 -0.325 0.000 2.446 303 Y HA 0.376 4.927 4.550 0.001 0.000 0.338 303 Y C -2.319 173.159 175.900 -0.703 0.000 1.055 303 Y CA -2.577 55.203 58.100 -0.533 0.000 1.101 303 Y CB 0.889 38.802 38.460 -0.912 0.000 1.221 303 Y HN -0.102 nan 8.280 nan 0.000 0.460 304 P HA 0.024 nan 4.420 nan 0.000 0.232 304 P C -0.513 176.591 177.300 -0.327 0.000 1.738 304 P CA 0.361 63.143 63.100 -0.530 0.000 0.948 304 P CB -0.588 31.018 31.700 -0.157 0.000 1.943 305 I N 1.166 121.524 120.570 -0.353 0.000 2.533 305 I HA 0.079 4.249 4.170 0.001 0.000 0.284 305 I C 1.583 177.752 176.117 0.087 0.000 1.109 305 I CA 0.226 61.432 61.300 -0.156 0.000 1.412 305 I CB 0.729 38.622 38.000 -0.179 0.000 1.396 305 I HN 0.054 nan 8.210 nan 0.000 0.543 306 K N 3.498 123.946 120.400 0.081 0.000 2.214 306 K HA 0.153 4.474 4.320 0.001 0.000 0.201 306 K C 0.326 176.990 176.600 0.105 0.000 1.049 306 K CA 0.668 57.028 56.287 0.122 0.000 0.978 306 K CB 0.443 33.002 32.500 0.099 0.000 0.842 306 K HN 0.627 nan 8.250 nan 0.000 0.474 307 S N 0.664 116.410 115.700 0.077 0.000 2.503 307 S HA 0.530 5.000 4.470 0.001 0.000 0.301 307 S C -0.680 173.954 174.600 0.057 0.000 1.087 307 S CA -0.916 57.315 58.200 0.053 0.000 1.042 307 S CB 1.547 64.749 63.200 0.002 0.000 1.043 307 S HN 0.312 nan 8.310 nan 0.000 0.489 308 M N 1.769 121.391 119.600 0.035 0.000 2.464 308 M HA 0.848 5.328 4.480 0.001 0.000 0.308 308 M C -1.014 175.242 176.300 -0.073 0.000 1.127 308 M CA -0.873 54.409 55.300 -0.029 0.000 0.913 308 M CB 1.890 34.441 32.600 -0.082 0.000 1.689 308 M HN 0.590 nan 8.290 nan 0.000 0.445 309 M N 2.461 121.973 119.600 -0.147 0.000 2.464 309 M HA 0.966 5.446 4.480 0.001 0.000 0.308 309 M C -1.090 175.083 176.300 -0.213 0.000 1.127 309 M CA 0.140 55.370 55.300 -0.117 0.000 0.913 309 M CB 2.532 35.078 32.600 -0.089 0.000 1.689 309 M HN 0.994 nan 8.290 nan 0.000 0.445 310 G N 1.937 110.647 108.800 -0.150 0.000 2.519 310 G HA2 0.664 4.624 3.960 0.001 0.000 0.292 310 G HA3 0.664 4.624 3.960 0.001 0.000 0.292 310 G C -1.798 173.053 174.900 -0.082 0.000 1.507 310 G CA -0.408 44.571 45.100 -0.201 0.000 0.806 310 G HN 1.078 nan 8.290 nan 0.000 0.523 311 A N 1.184 123.960 122.820 -0.073 0.000 2.483 311 A HA 0.605 4.925 4.320 0.001 0.000 0.238 311 A C -0.761 176.830 177.584 0.012 0.000 1.070 311 A CA -0.436 51.562 52.037 -0.065 0.000 0.770 311 A CB 0.209 19.140 19.000 -0.116 0.000 1.008 311 A HN 0.389 nan 8.150 nan 0.000 0.497 312 P HA -0.213 nan 4.420 nan 0.000 0.217 312 P C 1.441 178.795 177.300 0.090 0.000 1.151 312 P CA 1.208 64.364 63.100 0.093 0.000 0.849 312 P CB -0.014 31.698 31.700 0.019 0.000 0.787 313 I N -0.696 119.907 120.570 0.056 0.000 2.248 313 I HA -0.227 3.944 4.170 0.001 0.000 0.248 313 I C 1.921 178.083 176.117 0.075 0.000 1.107 313 I CA 1.555 62.901 61.300 0.077 0.000 1.373 313 I CB -0.751 37.304 38.000 0.092 0.000 1.055 313 I HN -0.219 nan 8.210 nan 0.000 0.418 314 V N -0.021 119.903 119.914 0.018 0.000 2.287 314 V HA -0.345 3.775 4.120 0.001 0.000 0.248 314 V C 2.283 178.246 176.094 -0.218 0.000 1.053 314 V CA 2.305 64.525 62.300 -0.133 0.000 1.027 314 V CB -1.187 30.431 31.823 -0.343 0.000 0.646 314 V HN 0.412 nan 8.190 nan 0.000 0.447 315 Y N 0.367 120.547 120.300 -0.200 0.000 2.274 315 Y HA -0.145 4.405 4.550 0.000 0.000 0.290 315 Y C 2.677 178.551 175.900 -0.043 0.000 1.145 315 Y CA 1.381 59.307 58.100 -0.291 0.000 1.203 315 Y CB -0.432 37.711 38.460 -0.528 0.000 0.984 315 Y HN 0.120 nan 8.280 nan 0.000 0.533 316 R N -0.545 120.035 120.500 0.134 0.000 2.075 316 R HA -0.147 4.193 4.340 0.001 0.000 0.232 316 R C 2.209 178.583 176.300 0.123 0.000 1.126 316 R CA 1.672 57.851 56.100 0.131 0.000 0.963 316 R CB -0.343 30.017 30.300 0.099 0.000 0.858 316 R HN 0.373 nan 8.270 nan 0.000 0.435 317 M N 0.462 120.117 119.600 0.092 0.000 2.117 317 M HA -0.157 4.323 4.480 0.001 0.000 0.262 317 M C 2.266 178.620 176.300 0.090 0.000 1.065 317 M CA 1.599 56.947 55.300 0.081 0.000 1.114 317 M CB -0.330 32.306 32.600 0.059 0.000 1.361 317 M HN 0.169 nan 8.290 nan 0.000 0.408 318 L N 0.076 121.360 121.223 0.101 0.000 2.131 318 L HA -0.201 4.140 4.340 0.001 0.000 0.210 318 L C 2.312 179.333 176.870 0.251 0.000 1.092 318 L CA 0.994 55.937 54.840 0.173 0.000 0.759 318 L CB -0.561 41.644 42.059 0.242 0.000 0.903 318 L HN 0.350 nan 8.230 nan 0.000 0.435 319 L N -0.836 120.555 121.223 0.280 0.000 2.201 319 L HA -0.172 4.168 4.340 0.001 0.000 0.212 319 L C 2.562 179.525 176.870 0.155 0.000 1.105 319 L CA 0.612 55.602 54.840 0.250 0.000 0.775 319 L CB -0.342 41.877 42.059 0.266 0.000 0.913 319 L HN 0.308 nan 8.230 nan 0.000 0.440 320 Q N -0.278 119.600 119.800 0.131 0.000 2.369 320 Q HA -0.021 4.320 4.340 0.001 0.000 0.206 320 Q C 0.653 176.708 176.000 0.091 0.000 0.963 320 Q CA 0.736 56.597 55.803 0.096 0.000 0.894 320 Q CB -0.050 28.738 28.738 0.083 0.000 0.965 320 Q HN 0.486 nan 8.270 nan 0.000 0.475 321 Q N 0.046 119.911 119.800 0.108 0.000 2.249 321 Q HA 0.242 4.583 4.340 0.001 0.000 0.226 321 Q C -0.301 175.765 176.000 0.110 0.000 0.983 321 Q CA 0.217 56.085 55.803 0.109 0.000 0.930 321 Q CB 0.104 28.915 28.738 0.122 0.000 1.193 321 Q HN 0.308 nan 8.270 nan 0.000 0.508 322 D N 1.807 122.274 120.400 0.111 0.000 2.545 322 D HA 0.254 4.895 4.640 0.001 0.000 0.227 322 D C 1.308 177.670 176.300 0.102 0.000 1.150 322 D CA -0.103 53.947 54.000 0.082 0.000 1.046 322 D CB -0.731 40.103 40.800 0.056 0.000 1.098 322 D HN 0.440 nan 8.370 nan 0.000 0.502 323 L N 0.891 122.168 121.223 0.089 0.000 2.081 323 L HA -0.206 4.135 4.340 0.001 0.000 0.212 323 L C 3.239 180.095 176.870 -0.024 0.000 1.080 323 L CA 1.768 56.652 54.840 0.073 0.000 0.754 323 L CB -0.523 41.546 42.059 0.016 0.000 0.893 323 L HN 0.616 nan 8.230 nan 0.000 0.433 324 S N -0.234 115.437 115.700 -0.048 0.000 2.393 324 S HA -0.333 4.138 4.470 0.001 0.000 0.235 324 S C 2.061 176.599 174.600 -0.103 0.000 1.061 324 S CA 2.056 60.206 58.200 -0.084 0.000 1.129 324 S CB -1.060 62.102 63.200 -0.062 0.000 1.011 324 S HN 0.481 nan 8.310 nan 0.000 0.436 325 S N 0.752 116.397 115.700 -0.091 0.000 2.359 325 S HA -0.033 4.437 4.470 0.001 0.000 0.224 325 S C 0.305 174.747 174.600 -0.264 0.000 1.035 325 S CA 1.071 59.152 58.200 -0.199 0.000 1.018 325 S CB -0.563 62.486 63.200 -0.252 0.000 0.876 325 S HN 0.637 nan 8.310 nan 0.000 0.448 326 Y N 2.322 122.610 120.300 -0.019 0.000 2.434 326 Y HA 0.444 4.995 4.550 0.001 0.000 0.341 326 Y C 0.209 176.039 175.900 -0.116 0.000 0.965 326 Y CA -0.765 57.349 58.100 0.024 0.000 1.205 326 Y CB 0.638 39.186 38.460 0.146 0.000 1.121 326 Y HN -0.125 nan 8.280 nan 0.000 0.507 327 K N 4.344 124.704 120.400 -0.067 0.000 2.123 327 K HA 0.520 4.840 4.320 0.001 0.000 0.259 327 K C -1.128 175.303 176.600 -0.282 0.000 0.960 327 K CA -0.785 55.246 56.287 -0.425 0.000 0.872 327 K CB 1.596 33.923 32.500 -0.290 0.000 1.079 327 K HN 0.556 nan 8.250 nan 0.000 0.440 328 F N 0.440 120.298 119.950 -0.153 0.000 2.931 328 F HA 0.316 4.844 4.527 0.001 0.000 0.375 328 F C -1.858 173.587 175.800 -0.593 0.000 1.243 328 F CA -1.989 55.748 58.000 -0.439 0.000 1.206 328 F CB 1.084 39.921 39.000 -0.272 0.000 1.643 328 F HN 0.292 nan 8.300 nan 0.000 0.593 329 P HA -0.166 nan 4.420 nan 0.000 0.220 329 P C 1.439 178.662 177.300 -0.128 0.000 1.152 329 P CA 1.619 64.599 63.100 -0.201 0.000 0.812 329 P CB -0.150 31.497 31.700 -0.089 0.000 0.792 330 H N -0.670 118.463 119.070 0.105 0.000 2.456 330 H HA -0.022 4.534 4.556 0.001 0.000 0.296 330 H C 0.882 176.276 175.328 0.109 0.000 1.079 330 H CA -0.048 56.055 56.048 0.092 0.000 1.322 330 H CB -1.015 28.793 29.762 0.077 0.000 1.388 330 H HN 0.089 nan 8.280 nan 0.000 0.538 331 L N 2.498 123.790 121.223 0.116 0.000 2.462 331 L HA -0.021 4.319 4.340 0.001 0.000 0.272 331 L C 1.005 177.969 176.870 0.158 0.000 1.166 331 L CA 0.569 55.527 54.840 0.197 0.000 0.880 331 L CB 0.910 43.114 42.059 0.243 0.000 1.142 331 L HN 0.238 nan 8.230 nan 0.000 0.473 332 Q N 2.372 122.260 119.800 0.146 0.000 2.619 332 Q HA 0.273 4.614 4.340 0.001 0.000 0.230 332 Q C -0.335 175.740 176.000 0.124 0.000 0.871 332 Q CA 0.050 55.924 55.803 0.119 0.000 0.934 332 Q CB 0.579 29.373 28.738 0.093 0.000 1.183 332 Q HN 0.647 nan 8.270 nan 0.000 0.631 333 N N 0.691 119.454 118.700 0.105 0.000 2.424 333 N HA 0.264 5.004 4.740 0.001 0.000 0.271 333 N C -1.294 174.272 175.510 0.093 0.000 0.985 333 N CA -0.050 53.046 53.050 0.077 0.000 0.921 333 N CB 1.669 40.167 38.487 0.018 0.000 1.149 333 N HN 0.133 nan 8.380 nan 0.000 0.492 334 C N 2.395 121.760 119.300 0.109 0.000 2.271 334 C HA 0.507 4.967 4.460 0.001 0.000 0.323 334 C C 0.899 175.890 174.990 0.002 0.000 1.245 334 C CA -0.966 58.118 59.018 0.111 0.000 1.548 334 C CB -0.281 27.544 27.740 0.142 0.000 2.214 334 C HN 0.532 nan 8.230 nan 0.000 0.477 335 V N 1.530 121.456 119.914 0.021 0.000 3.096 335 V HA 0.979 5.100 4.120 0.001 0.000 0.319 335 V C -0.316 175.814 176.094 0.059 0.000 1.103 335 V CA -0.124 62.175 62.300 -0.003 0.000 1.016 335 V CB 1.926 33.712 31.823 -0.062 0.000 1.090 335 V HN 0.745 nan 8.190 nan 0.000 0.449 336 T N 0.541 115.128 114.554 0.054 0.000 2.942 336 T HA 0.680 5.030 4.350 0.001 0.000 0.327 336 T C -1.568 173.155 174.700 0.039 0.000 1.360 336 T CA 0.148 62.283 62.100 0.059 0.000 1.055 336 T CB 1.668 70.536 68.868 0.001 0.000 1.261 336 T HN 1.482 nan 8.240 nan 0.000 0.485 337 V N 1.879 121.784 119.914 -0.014 0.000 3.230 337 V HA 0.739 4.859 4.120 0.001 0.000 0.302 337 V C 0.724 176.721 176.094 -0.163 0.000 1.421 337 V CA 0.691 62.953 62.300 -0.064 0.000 1.065 337 V CB 1.641 33.433 31.823 -0.052 0.000 1.097 337 V HN 1.702 nan 8.190 nan 0.000 0.460 338 G N 1.676 110.346 108.800 -0.217 0.000 2.148 338 G HA2 -0.182 3.779 3.960 0.001 0.000 0.254 338 G HA3 -0.182 3.779 3.960 0.001 0.000 0.254 338 G C -0.054 174.690 174.900 -0.260 0.000 0.981 338 G CA 1.067 45.977 45.100 -0.317 0.000 0.670 338 G HN 1.288 nan 8.290 nan 0.000 0.528 339 E N -1.279 118.802 120.200 -0.199 0.000 2.398 339 E HA 0.452 4.802 4.350 0.001 0.000 0.280 339 E C -0.911 175.592 176.600 -0.162 0.000 1.122 339 E CA -0.169 56.126 56.400 -0.174 0.000 0.873 339 E CB 0.448 30.082 29.700 -0.110 0.000 1.294 339 E HN 0.313 nan 8.360 nan 0.000 0.435 340 S N 1.858 117.471 115.700 -0.145 0.000 2.474 340 S HA 0.273 4.743 4.470 0.001 0.000 0.276 340 S C -0.429 174.157 174.600 -0.024 0.000 1.227 340 S CA -0.554 57.594 58.200 -0.087 0.000 1.050 340 S CB 0.080 63.295 63.200 0.025 0.000 0.939 340 S HN 0.387 nan 8.310 nan 0.000 0.490 341 L N 7.469 128.678 121.223 -0.025 0.000 2.433 341 L HA 0.375 4.715 4.340 0.001 0.000 0.275 341 L C -0.503 176.371 176.870 0.006 0.000 1.128 341 L CA 0.293 55.122 54.840 -0.018 0.000 0.875 341 L CB 0.071 42.107 42.059 -0.039 0.000 1.171 341 L HN 0.612 nan 8.230 nan 0.000 0.463 342 L N 7.982 129.215 121.223 0.016 0.000 2.397 342 L HA 0.213 4.553 4.340 0.001 0.000 0.271 342 L C -1.157 175.731 176.870 0.029 0.000 1.148 342 L CA -1.504 53.354 54.840 0.031 0.000 0.825 342 L CB 0.340 42.424 42.059 0.041 0.000 1.117 342 L HN 0.531 nan 8.230 nan 0.000 0.456 343 P HA -0.195 nan 4.420 nan 0.000 0.218 343 P C 1.262 178.588 177.300 0.045 0.000 1.148 343 P CA 1.013 64.136 63.100 0.040 0.000 0.822 343 P CB 0.250 31.973 31.700 0.038 0.000 0.784 344 E N -0.911 119.316 120.200 0.045 0.000 2.077 344 E HA -0.143 4.208 4.350 0.001 0.000 0.193 344 E C 1.520 178.161 176.600 0.069 0.000 0.989 344 E CA 1.552 57.984 56.400 0.053 0.000 0.800 344 E CB -0.358 29.372 29.700 0.050 0.000 0.746 344 E HN 0.116 nan 8.360 nan 0.000 0.452 345 T N 1.619 116.211 114.554 0.063 0.000 2.701 345 T HA -0.163 4.187 4.350 0.001 0.000 0.263 345 T C 1.777 176.532 174.700 0.091 0.000 1.040 345 T CA 1.186 63.333 62.100 0.078 0.000 1.147 345 T CB -0.408 68.483 68.868 0.039 0.000 0.865 345 T HN 0.139 nan 8.240 nan 0.000 0.426 346 L N 1.636 122.887 121.223 0.046 0.000 1.997 346 L HA -0.148 4.192 4.340 0.001 0.000 0.216 346 L C 2.419 179.358 176.870 0.116 0.000 1.074 346 L CA 2.145 57.017 54.840 0.054 0.000 0.763 346 L CB -0.869 41.209 42.059 0.032 0.000 0.890 346 L HN 0.338 nan 8.230 nan 0.000 0.434 347 E N -0.839 119.415 120.200 0.090 0.000 2.058 347 E HA -0.259 4.091 4.350 0.001 0.000 0.194 347 E C 2.011 178.668 176.600 0.095 0.000 0.997 347 E CA 1.584 58.032 56.400 0.080 0.000 0.801 347 E CB -0.186 29.550 29.700 0.059 0.000 0.746 347 E HN 0.681 nan 8.360 nan 0.000 0.450 348 N N 0.137 118.908 118.700 0.118 0.000 2.106 348 N HA -0.184 4.556 4.740 0.001 0.000 0.188 348 N C 1.727 177.330 175.510 0.154 0.000 1.029 348 N CA 1.100 54.223 53.050 0.122 0.000 0.848 348 N CB -0.458 38.111 38.487 0.137 0.000 1.007 348 N HN 0.411 nan 8.380 nan 0.000 0.423 349 W N 2.682 124.001 121.300 0.033 0.000 2.304 349 W HA -0.229 4.431 4.660 0.001 0.000 0.315 349 W C 2.202 178.744 176.519 0.037 0.000 1.233 349 W CA 1.373 58.746 57.345 0.046 0.000 1.261 349 W CB -0.251 29.210 29.460 0.002 0.000 1.150 349 W HN 0.105 nan 8.180 nan 0.000 0.494 350 R N 0.061 120.645 120.500 0.140 0.000 2.097 350 R HA -0.198 4.142 4.340 0.001 0.000 0.236 350 R C 2.582 178.854 176.300 -0.045 0.000 1.135 350 R CA 2.356 58.478 56.100 0.037 0.000 0.934 350 R CB -1.061 29.281 30.300 0.069 0.000 0.846 350 R HN 0.171 nan 8.270 nan 0.000 0.431 351 A N 0.891 123.699 122.820 -0.019 0.000 1.869 351 A HA -0.261 4.060 4.320 0.001 0.000 0.218 351 A C 2.075 179.603 177.584 -0.093 0.000 1.203 351 A CA 1.673 53.686 52.037 -0.039 0.000 0.638 351 A CB -0.580 18.414 19.000 -0.009 0.000 0.831 351 A HN 0.331 nan 8.150 nan 0.000 0.450 352 Q N -1.383 118.339 119.800 -0.131 0.000 2.172 352 Q HA -0.088 4.253 4.340 0.001 0.000 0.200 352 Q C 2.098 177.918 176.000 -0.299 0.000 0.964 352 Q CA 1.979 57.670 55.803 -0.186 0.000 0.855 352 Q CB -0.340 28.296 28.738 -0.169 0.000 0.918 352 Q HN 0.888 nan 8.270 nan 0.000 0.444 353 T N -4.565 109.736 114.554 -0.422 0.000 2.985 353 T HA 0.313 4.663 4.350 0.001 0.000 0.254 353 T C 1.292 175.828 174.700 -0.274 0.000 1.021 353 T CA 0.767 62.586 62.100 -0.468 0.000 0.957 353 T CB 0.688 69.058 68.868 -0.831 0.000 1.047 353 T HN 0.358 nan 8.240 nan 0.000 0.511 354 G N 1.454 110.138 108.800 -0.194 0.000 2.155 354 G HA2 -0.195 3.765 3.960 0.001 0.000 0.257 354 G HA3 -0.195 3.765 3.960 0.001 0.000 0.257 354 G C -0.156 174.727 174.900 -0.029 0.000 0.983 354 G CA 0.610 45.655 45.100 -0.092 0.000 0.676 354 G HN 0.672 nan 8.290 nan 0.000 0.528 355 L N -0.041 121.176 121.223 -0.009 0.000 2.333 355 L HA 0.559 4.899 4.340 0.001 0.000 0.269 355 L C -0.404 176.606 176.870 0.232 0.000 1.010 355 L CA -1.305 53.614 54.840 0.132 0.000 0.818 355 L CB 1.486 43.696 42.059 0.252 0.000 1.306 355 L HN -0.086 nan 8.230 nan 0.000 0.430 356 D N 1.757 122.273 120.400 0.192 0.000 2.264 356 D HA 0.422 5.063 4.640 0.001 0.000 0.249 356 D C -0.264 176.114 176.300 0.130 0.000 1.070 356 D CA 0.027 54.123 54.000 0.160 0.000 0.912 356 D CB 1.979 42.838 40.800 0.098 0.000 1.193 356 D HN 0.215 nan 8.370 nan 0.000 0.427 357 I N 2.055 122.625 120.570 0.000 0.000 2.321 357 I HA 0.234 4.404 4.170 0.001 0.000 0.291 357 I C 0.599 176.651 176.117 -0.107 0.000 0.998 357 I CA -0.541 60.619 61.300 -0.233 0.000 1.227 357 I CB 0.949 38.605 38.000 -0.573 0.000 1.368 357 I HN -0.035 nan 8.210 nan 0.000 0.466 358 R N 5.304 125.769 120.500 -0.058 0.000 2.229 358 R HA 0.304 4.645 4.340 0.001 0.000 0.328 358 R C -0.262 176.066 176.300 0.047 0.000 1.009 358 R CA -0.577 55.542 56.100 0.031 0.000 0.864 358 R CB 1.669 32.018 30.300 0.081 0.000 1.085 358 R HN 0.591 nan 8.270 nan 0.000 0.453 359 E N 1.721 121.960 120.200 0.066 0.000 2.349 359 E HA 0.188 4.538 4.350 0.001 0.000 0.265 359 E C -0.738 175.937 176.600 0.124 0.000 1.064 359 E CA -0.264 56.177 56.400 0.069 0.000 0.886 359 E CB 0.980 30.715 29.700 0.058 0.000 1.036 359 E HN 0.656 nan 8.360 nan 0.000 0.413 360 S N 2.501 118.268 115.700 0.112 0.000 2.618 360 S HA 0.530 5.000 4.470 0.001 0.000 0.277 360 S C -1.441 173.202 174.600 0.071 0.000 1.138 360 S CA -0.875 57.375 58.200 0.083 0.000 0.844 360 S CB 1.345 64.610 63.200 0.108 0.000 1.127 360 S HN 0.571 nan 8.310 nan 0.000 0.474 361 Y N -0.198 120.015 120.300 -0.146 0.000 2.544 361 Y HA 0.771 5.321 4.550 0.001 0.000 0.342 361 Y C -0.183 175.613 175.900 -0.175 0.000 1.062 361 Y CA 0.468 58.470 58.100 -0.164 0.000 1.023 361 Y CB 1.448 39.823 38.460 -0.142 0.000 1.308 361 Y HN 1.428 nan 8.280 nan 0.000 0.457 362 G N 3.297 111.498 108.800 -0.999 0.000 2.323 362 G HA2 0.484 4.444 3.960 0.001 0.000 0.291 362 G HA3 0.484 4.444 3.960 0.001 0.000 0.291 362 G C -2.210 172.296 174.900 -0.656 0.000 1.278 362 G CA -0.462 44.121 45.100 -0.862 0.000 0.860 362 G HN 0.975 nan 8.290 nan 0.000 0.504 363 Q N -2.043 117.510 119.800 -0.412 0.000 2.534 363 Q HA 0.582 4.923 4.340 0.001 0.000 0.290 363 Q C 0.435 176.288 176.000 -0.246 0.000 0.991 363 Q CA -0.077 55.552 55.803 -0.289 0.000 0.783 363 Q CB 1.036 29.657 28.738 -0.195 0.000 1.470 363 Q HN 0.384 nan 8.270 nan 0.000 0.406 364 T N 0.608 115.032 114.554 -0.216 0.000 2.714 364 T HA -0.243 4.107 4.350 0.001 0.000 0.268 364 T C 0.933 175.501 174.700 -0.219 0.000 1.036 364 T CA 2.450 64.430 62.100 -0.200 0.000 1.148 364 T CB -0.168 68.626 68.868 -0.124 0.000 0.856 364 T HN 0.629 nan 8.240 nan 0.000 0.462 365 E N 0.327 120.260 120.200 -0.445 0.000 2.216 365 E HA -0.017 4.333 4.350 0.001 0.000 0.192 365 E C 2.424 178.631 176.600 -0.655 0.000 0.988 365 E CA 1.337 57.115 56.400 -1.038 0.000 0.834 365 E CB -0.042 28.871 29.700 -1.311 0.000 0.772 365 E HN 0.732 nan 8.360 nan 0.000 0.479 366 T N -3.856 110.500 114.554 -0.329 0.000 2.959 366 T HA 0.430 4.781 4.350 0.001 0.000 0.254 366 T C 1.204 175.897 174.700 -0.011 0.000 1.003 366 T CA 0.101 62.089 62.100 -0.188 0.000 0.950 366 T CB 0.285 69.039 68.868 -0.190 0.000 1.090 366 T HN 0.236 nan 8.240 nan 0.000 0.503 367 G N 2.045 110.787 108.800 -0.097 0.000 2.601 367 G HA2 -0.191 3.769 3.960 0.001 0.000 0.252 367 G HA3 -0.191 3.769 3.960 0.001 0.000 0.252 367 G C -0.292 174.490 174.900 -0.196 0.000 1.294 367 G CA -0.294 44.717 45.100 -0.150 0.000 0.912 367 G HN 1.003 nan 8.290 nan 0.000 0.574 368 L N 1.314 122.369 121.223 -0.280 0.000 2.742 368 L HA 0.442 4.782 4.340 0.001 0.000 0.275 368 L C 1.636 178.288 176.870 -0.364 0.000 1.141 368 L CA 1.829 56.418 54.840 -0.419 0.000 0.987 368 L CB 0.167 41.819 42.059 -0.678 0.000 1.319 368 L HN 0.690 nan 8.230 nan 0.000 0.478 369 T N 2.531 116.950 114.554 -0.224 0.000 2.988 369 T HA 0.174 4.524 4.350 0.001 0.000 0.240 369 T C 0.355 175.043 174.700 -0.020 0.000 1.014 369 T CA 0.482 62.589 62.100 0.012 0.000 1.155 369 T CB 0.121 68.976 68.868 -0.022 0.000 0.872 369 T HN 0.589 nan 8.240 nan 0.000 0.440 370 C N 2.716 122.009 119.300 -0.011 0.000 2.779 370 C HA 0.944 5.404 4.460 0.001 0.000 0.314 370 C C -0.338 174.616 174.990 -0.061 0.000 1.231 370 C CA -1.147 57.867 59.018 -0.006 0.000 1.652 370 C CB 1.568 29.349 27.740 0.068 0.000 2.198 370 C HN 0.649 nan 8.230 nan 0.000 0.483 371 M N 0.254 119.823 119.600 -0.051 0.000 2.732 371 M HA 0.508 4.989 4.480 0.001 0.000 0.272 371 M C -2.184 174.141 176.300 0.043 0.000 1.203 371 M CA -0.392 54.907 55.300 -0.001 0.000 0.841 371 M CB 1.135 33.697 32.600 -0.062 0.000 1.685 371 M HN 0.328 nan 8.290 nan 0.000 0.492 372 V N 3.388 123.370 119.914 0.112 0.000 2.356 372 V HA 0.307 4.427 4.120 0.001 0.000 0.258 372 V C 0.900 177.090 176.094 0.160 0.000 1.065 372 V CA -0.023 62.352 62.300 0.125 0.000 0.935 372 V CB 0.027 31.946 31.823 0.160 0.000 1.061 372 V HN 0.932 nan 8.190 nan 0.000 0.484 373 S N 4.367 120.149 115.700 0.136 0.000 2.608 373 S HA 0.204 4.675 4.470 0.001 0.000 0.261 373 S C 1.242 175.920 174.600 0.129 0.000 1.314 373 S CA -0.267 58.032 58.200 0.164 0.000 0.992 373 S CB 0.935 64.212 63.200 0.128 0.000 0.935 373 S HN 0.667 nan 8.310 nan 0.000 0.564 374 K N 0.286 120.756 120.400 0.116 0.000 2.032 374 K HA -0.131 4.189 4.320 0.001 0.000 0.209 374 K C 1.769 178.419 176.600 0.082 0.000 1.048 374 K CA 1.862 58.201 56.287 0.088 0.000 0.927 374 K CB -0.921 31.621 32.500 0.070 0.000 0.712 374 K HN 0.914 nan 8.250 nan 0.000 0.441 375 T N -1.083 113.519 114.554 0.080 0.000 3.324 375 T HA 0.214 4.564 4.350 0.001 0.000 0.250 375 T C 0.532 175.279 174.700 0.079 0.000 1.059 375 T CA -0.224 61.919 62.100 0.072 0.000 0.951 375 T CB -0.156 68.750 68.868 0.064 0.000 1.030 375 T HN -0.009 nan 8.240 nan 0.000 0.576 376 M N 1.680 121.337 119.600 0.095 0.000 2.363 376 M HA 0.539 5.020 4.480 0.001 0.000 0.343 376 M C 0.468 176.850 176.300 0.138 0.000 1.165 376 M CA -0.779 54.594 55.300 0.123 0.000 1.046 376 M CB 1.506 34.183 32.600 0.129 0.000 1.648 376 M HN 0.172 nan 8.290 nan 0.000 0.452 377 K N 3.443 123.933 120.400 0.149 0.000 2.412 377 K HA 0.380 4.701 4.320 0.001 0.000 0.281 377 K C -0.530 176.146 176.600 0.126 0.000 1.027 377 K CA 0.058 56.404 56.287 0.099 0.000 0.989 377 K CB -0.415 32.107 32.500 0.036 0.000 0.935 377 K HN 0.707 nan 8.250 nan 0.000 0.475 378 I N 2.453 123.073 120.570 0.083 0.000 2.474 378 I HA 0.186 4.357 4.170 0.001 0.000 0.287 378 I C 0.446 176.573 176.117 0.016 0.000 1.048 378 I CA -0.345 61.014 61.300 0.098 0.000 1.383 378 I CB 1.328 39.380 38.000 0.087 0.000 1.412 378 I HN 0.614 nan 8.210 nan 0.000 0.531 379 K N 7.346 127.759 120.400 0.022 0.000 2.507 379 K HA 0.385 4.705 4.320 0.001 0.000 0.253 379 K C -2.522 174.186 176.600 0.179 0.000 0.969 379 K CA -1.769 54.496 56.287 -0.036 0.000 0.908 379 K CB 1.517 33.782 32.500 -0.393 0.000 1.127 379 K HN 0.211 nan 8.250 nan 0.000 0.437 380 P HA -0.102 nan 4.420 nan 0.000 0.261 380 P C 0.822 178.229 177.300 0.179 0.000 1.173 380 P CA 1.092 64.275 63.100 0.137 0.000 0.760 380 P CB 0.552 32.304 31.700 0.086 0.000 0.783 381 G N 1.191 110.045 108.800 0.090 0.000 2.225 381 G HA2 -0.254 3.707 3.960 0.001 0.000 0.254 381 G HA3 -0.254 3.707 3.960 0.001 0.000 0.254 381 G C -0.311 174.491 174.900 -0.164 0.000 0.988 381 G CA -0.335 44.738 45.100 -0.046 0.000 0.625 381 G HN 0.472 nan 8.290 nan 0.000 0.527 382 Y N 0.224 120.573 120.300 0.082 0.000 2.387 382 Y HA 0.620 5.170 4.550 0.001 0.000 0.336 382 Y C 1.453 177.444 175.900 0.152 0.000 1.067 382 Y CA -0.508 57.677 58.100 0.141 0.000 1.114 382 Y CB 1.429 40.009 38.460 0.200 0.000 1.208 382 Y HN 0.156 nan 8.280 nan 0.000 0.458 383 M N 1.154 120.923 119.600 0.281 0.000 2.419 383 M HA 0.549 5.030 4.480 0.001 0.000 0.252 383 M C 0.427 176.838 176.300 0.185 0.000 1.143 383 M CA 0.523 55.926 55.300 0.171 0.000 0.985 383 M CB -0.251 32.377 32.600 0.046 0.000 1.489 383 M HN 0.843 nan 8.290 nan 0.000 0.484 384 G N 1.755 110.709 108.800 0.256 0.000 2.545 384 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 384 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 384 G C -0.482 174.394 174.900 -0.039 0.000 1.314 384 G CA -0.269 44.848 45.100 0.029 0.000 0.906 384 G HN 0.769 nan 8.290 nan 0.000 0.563 385 T N -1.664 112.804 114.554 -0.143 0.000 2.927 385 T HA 0.907 5.257 4.350 0.001 0.000 0.286 385 T C 0.714 175.442 174.700 0.047 0.000 1.040 385 T CA 0.661 62.739 62.100 -0.036 0.000 1.010 385 T CB 1.507 70.243 68.868 -0.220 0.000 1.177 385 T HN 2.400 nan 8.240 nan 0.000 0.546 386 A N 0.485 123.377 122.820 0.120 0.000 2.520 386 A HA 0.581 4.901 4.320 0.001 0.000 0.235 386 A C 0.762 178.333 177.584 -0.022 0.000 1.065 386 A CA -0.059 52.024 52.037 0.077 0.000 0.764 386 A CB -0.861 18.226 19.000 0.145 0.000 1.002 386 A HN 1.395 nan 8.150 nan 0.000 0.502 387 A N 1.187 123.944 122.820 -0.104 0.000 2.248 387 A HA 0.802 5.122 4.320 0.001 0.000 0.316 387 A C 1.539 178.933 177.584 -0.316 0.000 1.101 387 A CA 0.752 52.632 52.037 -0.262 0.000 0.875 387 A CB -0.417 18.317 19.000 -0.443 0.000 1.207 387 A HN 2.835 nan 8.150 nan 0.000 0.504 388 S N -1.455 114.053 115.700 -0.321 0.000 4.156 388 S HA -0.358 4.112 4.470 0.001 0.000 0.538 388 S C 1.379 175.877 174.600 -0.170 0.000 1.201 388 S CA 2.254 60.286 58.200 -0.280 0.000 3.605 388 S CB -1.750 61.188 63.200 -0.436 0.000 2.074 388 S HN 1.672 nan 8.310 nan 0.000 0.457 389 C N 0.468 119.672 119.300 -0.159 0.000 2.976 389 C HA 0.529 4.989 4.460 0.001 0.000 0.274 389 C C -0.561 174.522 174.990 0.155 0.000 1.487 389 C CA -1.060 57.959 59.018 0.001 0.000 1.789 389 C CB -1.240 26.505 27.740 0.008 0.000 2.771 389 C HN 0.492 nan 8.230 nan 0.000 0.551 390 Y N 1.609 121.874 120.300 -0.058 0.000 2.359 390 Y HA 0.304 4.855 4.550 0.001 0.000 0.334 390 Y C 0.440 176.336 175.900 -0.007 0.000 1.058 390 Y CA -0.589 57.481 58.100 -0.050 0.000 1.244 390 Y CB 0.130 38.552 38.460 -0.063 0.000 1.187 390 Y HN 0.198 nan 8.280 nan 0.000 0.510 391 D N 3.621 124.097 120.400 0.127 0.000 2.441 391 D HA 0.305 4.945 4.640 0.001 0.000 0.221 391 D C -0.956 175.453 176.300 0.183 0.000 1.156 391 D CA -0.062 54.014 54.000 0.127 0.000 0.896 391 D CB 0.185 41.022 40.800 0.062 0.000 1.028 391 D HN 0.161 nan 8.370 nan 0.000 0.509 392 V N 4.087 124.134 119.914 0.222 0.000 2.472 392 V HA 0.516 4.637 4.120 0.001 0.000 0.290 392 V C 0.231 176.548 176.094 0.372 0.000 1.037 392 V CA -0.675 61.751 62.300 0.209 0.000 0.908 392 V CB 1.588 33.408 31.823 -0.005 0.000 0.985 392 V HN 0.433 nan 8.190 nan 0.000 0.454 393 Q N 2.684 122.675 119.800 0.317 0.000 2.482 393 Q HA 0.515 4.855 4.340 0.001 0.000 0.286 393 Q C -1.514 174.576 176.000 0.150 0.000 1.007 393 Q CA -0.773 55.199 55.803 0.282 0.000 0.801 393 Q CB 2.967 31.786 28.738 0.134 0.000 1.455 393 Q HN 0.499 nan 8.270 nan 0.000 0.398 394 I N 3.212 123.860 120.570 0.130 0.000 2.352 394 I HA 0.364 4.535 4.170 0.001 0.000 0.290 394 I C 0.617 176.657 176.117 -0.128 0.000 1.036 394 I CA -0.231 61.082 61.300 0.022 0.000 1.336 394 I CB -0.066 37.958 38.000 0.040 0.000 1.407 394 I HN 0.507 nan 8.210 nan 0.000 0.497 395 I N 3.337 123.786 120.570 -0.201 0.000 2.797 395 I HA 0.633 4.804 4.170 0.001 0.000 0.307 395 I C -0.429 175.595 176.117 -0.154 0.000 1.033 395 I CA -0.883 60.260 61.300 -0.262 0.000 1.071 395 I CB 2.257 39.961 38.000 -0.493 0.000 1.255 395 I HN 0.420 nan 8.210 nan 0.000 0.445 396 D N 2.284 122.610 120.400 -0.124 0.000 2.466 396 D HA 0.087 4.727 4.640 0.001 0.000 0.262 396 D C 0.449 176.706 176.300 -0.072 0.000 1.177 396 D CA -0.300 53.650 54.000 -0.082 0.000 1.035 396 D CB 0.511 41.274 40.800 -0.061 0.000 1.105 396 D HN 0.729 nan 8.370 nan 0.000 0.551 397 D N -1.909 118.459 120.400 -0.055 0.000 2.311 397 D HA -0.157 4.484 4.640 0.001 0.000 0.212 397 D C 1.450 177.730 176.300 -0.032 0.000 0.972 397 D CA 2.260 56.233 54.000 -0.045 0.000 0.887 397 D CB -0.768 40.009 40.800 -0.039 0.000 0.915 397 D HN 0.521 nan 8.370 nan 0.000 0.497 398 K N -0.041 120.343 120.400 -0.027 0.000 2.353 398 K HA 0.568 4.889 4.320 0.001 0.000 0.195 398 K C 1.690 178.292 176.600 0.004 0.000 1.031 398 K CA 0.460 56.742 56.287 -0.009 0.000 1.079 398 K CB -0.397 32.099 32.500 -0.006 0.000 0.857 398 K HN 0.499 nan 8.250 nan 0.000 0.535 399 G N 0.452 109.245 108.800 -0.012 0.000 2.163 399 G HA2 -0.183 3.778 3.960 0.001 0.000 0.213 399 G HA3 -0.183 3.778 3.960 0.001 0.000 0.213 399 G C -0.237 174.659 174.900 -0.006 0.000 0.991 399 G CA -0.009 45.099 45.100 0.012 0.000 0.653 399 G HN 0.615 nan 8.290 nan 0.000 0.518 400 N N -0.376 118.299 118.700 -0.042 0.000 2.487 400 N HA 0.540 5.280 4.740 0.001 0.000 0.292 400 N C 0.255 175.704 175.510 -0.102 0.000 1.108 400 N CA -0.575 52.459 53.050 -0.027 0.000 0.956 400 N CB 2.156 40.639 38.487 -0.006 0.000 1.176 400 N HN 0.064 nan 8.380 nan 0.000 0.484 401 V N 2.516 122.392 119.914 -0.063 0.000 2.599 401 V HA 0.017 4.138 4.120 0.001 0.000 0.300 401 V C 0.302 176.365 176.094 -0.052 0.000 1.034 401 V CA 0.160 62.412 62.300 -0.081 0.000 1.115 401 V CB -0.219 31.617 31.823 0.022 0.000 0.934 401 V HN 0.447 nan 8.190 nan 0.000 0.485 402 L N 7.834 129.018 121.223 -0.064 0.000 2.360 402 L HA 0.536 4.876 4.340 0.001 0.000 0.271 402 L C -1.861 174.991 176.870 -0.030 0.000 1.057 402 L CA -1.716 53.098 54.840 -0.044 0.000 0.803 402 L CB 1.585 43.613 42.059 -0.052 0.000 1.207 402 L HN 0.486 nan 8.230 nan 0.000 0.445 403 P HA 0.268 nan 4.420 nan 0.000 0.276 403 P C -2.707 174.573 177.300 -0.033 0.000 1.252 403 P CA -1.603 61.483 63.100 -0.024 0.000 0.802 403 P CB -0.133 31.555 31.700 -0.019 0.000 1.035 404 P HA -0.014 nan 4.420 nan 0.000 0.269 404 P C 0.822 178.101 177.300 -0.035 0.000 1.211 404 P CA 0.933 64.004 63.100 -0.048 0.000 0.781 404 P CB -0.218 31.452 31.700 -0.050 0.000 0.877 405 G N 0.505 109.287 108.800 -0.031 0.000 2.198 405 G HA2 -0.174 3.786 3.960 0.001 0.000 0.260 405 G HA3 -0.174 3.786 3.960 0.001 0.000 0.260 405 G C -0.178 174.707 174.900 -0.026 0.000 1.025 405 G CA 0.289 45.377 45.100 -0.020 0.000 0.769 405 G HN 0.738 nan 8.290 nan 0.000 0.507 406 T N -0.177 114.358 114.554 -0.032 0.000 2.890 406 T HA 0.486 4.836 4.350 0.001 0.000 0.295 406 T C -0.255 174.421 174.700 -0.040 0.000 0.993 406 T CA -0.553 61.526 62.100 -0.035 0.000 0.979 406 T CB 2.219 71.065 68.868 -0.035 0.000 0.967 406 T HN 0.391 nan 8.240 nan 0.000 0.441 407 E N 2.253 122.425 120.200 -0.048 0.000 2.344 407 E HA 0.491 4.842 4.350 0.001 0.000 0.270 407 E C 0.223 176.787 176.600 -0.061 0.000 1.021 407 E CA -0.128 56.237 56.400 -0.058 0.000 0.887 407 E CB 0.408 30.062 29.700 -0.076 0.000 0.997 407 E HN 0.876 nan 8.360 nan 0.000 0.429 408 G N 3.641 112.405 108.800 -0.059 0.000 2.753 408 G HA2 0.156 4.116 3.960 0.001 0.000 0.303 408 G HA3 0.156 4.116 3.960 0.001 0.000 0.303 408 G C -1.263 173.598 174.900 -0.065 0.000 1.242 408 G CA -0.639 44.422 45.100 -0.066 0.000 0.810 408 G HN 0.545 nan 8.290 nan 0.000 0.515 409 D N 0.543 120.899 120.400 -0.073 0.000 2.175 409 D HA 0.377 5.017 4.640 0.001 0.000 0.248 409 D C 0.159 176.432 176.300 -0.045 0.000 1.047 409 D CA 0.022 53.983 54.000 -0.065 0.000 0.883 409 D CB 2.246 42.997 40.800 -0.082 0.000 1.180 409 D HN 0.186 nan 8.370 nan 0.000 0.438 410 I N 1.430 121.997 120.570 -0.005 0.000 2.416 410 I HA 0.358 4.529 4.170 0.001 0.000 0.288 410 I C 1.023 177.156 176.117 0.027 0.000 1.051 410 I CA -0.043 61.271 61.300 0.024 0.000 1.375 410 I CB 1.088 39.112 38.000 0.041 0.000 1.407 410 I HN 0.255 nan 8.210 nan 0.000 0.516 411 G N 6.552 115.376 108.800 0.039 0.000 2.694 411 G HA2 0.759 4.719 3.960 0.001 0.000 0.290 411 G HA3 0.759 4.719 3.960 0.001 0.000 0.290 411 G C -1.231 173.846 174.900 0.295 0.000 1.386 411 G CA -0.594 44.594 45.100 0.146 0.000 0.872 411 G HN 0.454 nan 8.290 nan 0.000 0.475 412 I N 0.369 121.155 120.570 0.360 0.000 2.509 412 I HA 0.427 4.597 4.170 0.001 0.000 0.293 412 I C 0.528 176.674 176.117 0.048 0.000 1.020 412 I CA -0.879 60.540 61.300 0.198 0.000 1.088 412 I CB 2.247 40.169 38.000 -0.129 0.000 1.267 412 I HN 0.418 nan 8.210 nan 0.000 0.430 413 R N 3.809 124.151 120.500 -0.263 0.000 2.585 413 R HA 0.160 4.500 4.340 0.001 0.000 0.275 413 R C 0.409 176.457 176.300 -0.420 0.000 1.018 413 R CA 0.316 55.985 56.100 -0.719 0.000 1.072 413 R CB 0.589 30.535 30.300 -0.590 0.000 0.953 413 R HN 0.664 nan 8.270 nan 0.000 0.419 414 V N -0.481 119.192 119.914 -0.403 0.000 3.380 414 V HA 0.298 4.418 4.120 0.001 0.000 0.277 414 V C -0.053 175.843 176.094 -0.329 0.000 1.590 414 V CA -0.139 61.938 62.300 -0.371 0.000 1.019 414 V CB 0.130 31.734 31.823 -0.365 0.000 0.828 414 V HN 0.530 nan 8.190 nan 0.000 0.427 415 K N 2.137 122.373 120.400 -0.272 0.000 2.207 415 K HA 0.546 4.866 4.320 0.001 0.000 0.255 415 K C -2.089 174.382 176.600 -0.216 0.000 0.941 415 K CA -1.591 54.572 56.287 -0.207 0.000 0.825 415 K CB 2.616 35.047 32.500 -0.115 0.000 1.119 415 K HN -0.023 nan 8.250 nan 0.000 0.430 416 P HA 0.058 nan 4.420 nan 0.000 0.239 416 P C -0.053 177.047 177.300 -0.333 0.000 1.188 416 P CA 0.579 63.553 63.100 -0.209 0.000 0.794 416 P CB 0.492 32.096 31.700 -0.159 0.000 0.937 417 I N 0.945 121.335 120.570 -0.299 0.000 2.331 417 I HA 0.281 4.452 4.170 0.001 0.000 0.292 417 I C 0.877 176.807 176.117 -0.312 0.000 0.998 417 I CA -1.007 60.104 61.300 -0.315 0.000 1.267 417 I CB 1.300 39.175 38.000 -0.209 0.000 1.386 417 I HN -0.238 nan 8.210 nan 0.000 0.476 418 R N 8.455 128.739 120.500 -0.360 0.000 2.298 418 R HA 0.350 4.690 4.340 0.001 0.000 0.310 418 R C -2.391 173.731 176.300 -0.296 0.000 1.068 418 R CA -1.293 54.544 56.100 -0.439 0.000 0.957 418 R CB 0.786 30.708 30.300 -0.630 0.000 1.003 418 R HN 0.291 nan 8.270 nan 0.000 0.454 419 P HA 0.085 nan 4.420 nan 0.000 0.276 419 P C -0.314 176.959 177.300 -0.045 0.000 1.244 419 P CA -0.209 62.831 63.100 -0.100 0.000 0.801 419 P CB 0.777 32.470 31.700 -0.012 0.000 1.006 420 I N 1.022 121.598 120.570 0.011 0.000 2.598 420 I HA 0.203 4.374 4.170 0.001 0.000 0.284 420 I C 1.639 177.806 176.117 0.082 0.000 1.140 420 I CA 1.297 62.598 61.300 0.003 0.000 1.420 420 I CB -0.378 37.598 38.000 -0.039 0.000 1.387 420 I HN 0.778 nan 8.210 nan 0.000 0.553 421 G N 5.998 114.841 108.800 0.072 0.000 2.316 421 G HA2 -0.165 3.795 3.960 0.001 0.000 0.203 421 G HA3 -0.165 3.795 3.960 0.001 0.000 0.203 421 G C 0.225 175.228 174.900 0.173 0.000 0.999 421 G CA -0.719 44.458 45.100 0.129 0.000 0.649 421 G HN 0.383 nan 8.290 nan 0.000 0.489 422 I N 2.975 123.570 120.570 0.042 0.000 2.696 422 I HA 0.388 4.558 4.170 0.001 0.000 0.284 422 I C 1.500 177.611 176.117 -0.010 0.000 1.129 422 I CA -1.062 60.178 61.300 -0.100 0.000 1.410 422 I CB -0.200 37.587 38.000 -0.355 0.000 1.399 422 I HN 0.339 nan 8.210 nan 0.000 0.579 423 F N 3.273 122.977 119.950 -0.410 0.000 2.426 423 F HA 0.206 4.733 4.527 0.000 0.000 0.309 423 F C 1.136 176.798 175.800 -0.231 0.000 1.246 423 F CA -0.554 57.094 58.000 -0.587 0.000 1.229 423 F CB 0.330 38.700 39.000 -1.052 0.000 1.255 423 F HN 0.407 nan 8.300 nan 0.000 0.558 424 S N 0.265 115.611 115.700 -0.591 0.000 2.548 424 S HA 0.449 4.920 4.470 0.001 0.000 0.215 424 S C 0.475 174.601 174.600 -0.790 0.000 0.976 424 S CA 0.282 58.245 58.200 -0.396 0.000 0.908 424 S CB -0.315 62.739 63.200 -0.243 0.000 0.781 424 S HN 1.298 nan 8.310 nan 0.000 0.519 425 G N 0.570 108.267 108.800 -1.838 0.000 2.440 425 G HA2 -0.014 3.946 3.960 0.001 0.000 0.684 425 G HA3 -0.014 3.946 3.960 0.001 0.000 0.684 425 G C -1.319 173.011 174.900 -0.949 0.000 1.309 425 G CA -1.234 42.941 45.100 -1.542 0.000 0.931 425 G HN 0.114 nan 8.290 nan 0.000 0.612 426 Y N -0.523 119.623 120.300 -0.257 0.000 2.359 426 Y HA 0.426 4.977 4.550 0.001 0.000 0.330 426 Y C 1.419 177.248 175.900 -0.118 0.000 1.143 426 Y CA -0.325 57.756 58.100 -0.032 0.000 1.318 426 Y CB 1.243 39.746 38.460 0.072 0.000 1.234 426 Y HN 0.417 nan 8.280 nan 0.000 0.522 427 V N 4.477 124.424 119.914 0.056 0.000 2.572 427 V HA -0.040 4.081 4.120 0.001 0.000 0.291 427 V C 0.337 176.422 176.094 -0.014 0.000 1.039 427 V CA -0.288 61.991 62.300 -0.035 0.000 1.055 427 V CB 0.464 32.242 31.823 -0.074 0.000 0.969 427 V HN 0.937 nan 8.190 nan 0.000 0.482 428 D N 3.117 123.496 120.400 -0.035 0.000 2.955 428 D HA -0.198 4.442 4.640 0.001 0.000 0.226 428 D C 0.388 176.680 176.300 -0.014 0.000 1.178 428 D CA 1.064 55.048 54.000 -0.027 0.000 0.808 428 D CB -0.738 40.049 40.800 -0.023 0.000 1.099 428 D HN 0.780 nan 8.370 nan 0.000 0.421 429 N N -0.389 118.312 118.700 0.002 0.000 2.733 429 N HA 0.127 4.867 4.740 0.001 0.000 0.271 429 N C -2.120 173.399 175.510 0.015 0.000 1.720 429 N CA -0.918 52.142 53.050 0.017 0.000 0.803 429 N CB 1.640 40.149 38.487 0.037 0.000 1.208 429 N HN -0.054 nan 8.380 nan 0.000 0.498 430 P HA -0.066 nan 4.420 nan 0.000 0.218 430 P C 0.736 178.013 177.300 -0.038 0.000 1.149 430 P CA 1.087 64.140 63.100 -0.078 0.000 0.817 430 P CB 0.560 32.206 31.700 -0.090 0.000 0.785 431 D N -0.011 120.379 120.400 -0.015 0.000 2.092 431 D HA -0.158 4.483 4.640 0.001 0.000 0.193 431 D C 1.772 178.084 176.300 0.021 0.000 0.994 431 D CA 1.293 55.290 54.000 -0.004 0.000 0.828 431 D CB -0.494 40.301 40.800 -0.008 0.000 0.963 431 D HN 0.205 nan 8.370 nan 0.000 0.450 432 K N -0.198 120.226 120.400 0.039 0.000 2.288 432 K HA -0.004 4.316 4.320 0.001 0.000 0.201 432 K C 1.967 178.716 176.600 0.249 0.000 1.048 432 K CA 0.823 57.145 56.287 0.058 0.000 0.956 432 K CB 0.029 32.488 32.500 -0.068 0.000 0.746 432 K HN 0.131 nan 8.250 nan 0.000 0.461 433 T N 1.227 115.974 114.554 0.321 0.000 2.737 433 T HA -0.125 4.225 4.350 0.001 0.000 0.265 433 T C 2.075 176.903 174.700 0.214 0.000 1.038 433 T CA 1.317 63.631 62.100 0.357 0.000 1.144 433 T CB -0.222 68.609 68.868 -0.061 0.000 0.866 433 T HN 0.278 nan 8.240 nan 0.000 0.434 434 A N 1.887 124.745 122.820 0.062 0.000 1.883 434 A HA 0.046 4.366 4.320 0.001 0.000 0.217 434 A C 2.709 180.323 177.584 0.051 0.000 1.186 434 A CA 2.076 54.142 52.037 0.047 0.000 0.624 434 A CB -1.349 17.656 19.000 0.009 0.000 0.822 434 A HN 0.524 nan 8.150 nan 0.000 0.444 435 A N -0.118 122.722 122.820 0.032 0.000 2.042 435 A HA -0.240 4.080 4.320 0.001 0.000 0.222 435 A C 1.593 179.135 177.584 -0.070 0.000 1.167 435 A CA 2.137 54.167 52.037 -0.011 0.000 0.649 435 A CB -0.642 18.349 19.000 -0.015 0.000 0.809 435 A HN 0.558 nan 8.150 nan 0.000 0.457 436 N N -0.955 117.669 118.700 -0.128 0.000 2.314 436 N HA 0.263 5.004 4.740 0.001 0.000 0.200 436 N C -0.458 174.859 175.510 -0.323 0.000 1.135 436 N CA 0.173 52.966 53.050 -0.428 0.000 0.835 436 N CB 0.123 37.962 38.487 -1.080 0.000 0.989 436 N HN 0.481 nan 8.380 nan 0.000 0.478 437 I N 0.693 121.251 120.570 -0.021 0.000 2.330 437 I HA 0.259 4.430 4.170 0.001 0.000 0.289 437 I C 0.119 176.281 176.117 0.076 0.000 1.001 437 I CA -0.633 60.742 61.300 0.125 0.000 1.193 437 I CB 1.266 39.418 38.000 0.253 0.000 1.345 437 I HN -0.194 nan 8.210 nan 0.000 0.461 438 R N 5.455 126.009 120.500 0.089 0.000 2.337 438 R HA 0.535 4.875 4.340 0.001 0.000 0.319 438 R C 0.633 177.024 176.300 0.152 0.000 0.954 438 R CA 0.302 56.450 56.100 0.081 0.000 0.840 438 R CB 1.231 31.549 30.300 0.029 0.000 1.164 438 R HN 0.863 nan 8.270 nan 0.000 0.472 439 G N 4.013 112.888 108.800 0.123 0.000 2.629 439 G HA2 -0.387 3.573 3.960 0.001 0.000 0.313 439 G HA3 -0.387 3.573 3.960 0.001 0.000 0.313 439 G C 0.190 175.178 174.900 0.148 0.000 1.217 439 G CA 0.738 45.922 45.100 0.140 0.000 0.994 439 G HN 0.685 nan 8.290 nan 0.000 0.549 440 D N 0.855 121.359 120.400 0.173 0.000 2.340 440 D HA 0.424 5.064 4.640 0.001 0.000 0.217 440 D C 0.226 176.400 176.300 -0.211 0.000 1.081 440 D CA 0.233 54.209 54.000 -0.040 0.000 0.842 440 D CB 0.026 40.731 40.800 -0.158 0.000 0.934 440 D HN 0.180 nan 8.370 nan 0.000 0.511 441 F N -0.116 119.868 119.950 0.057 0.000 2.522 441 F HA 0.334 4.861 4.527 0.000 0.000 0.324 441 F C -0.091 175.797 175.800 0.146 0.000 1.077 441 F CA -1.390 56.653 58.000 0.071 0.000 0.944 441 F CB 1.661 40.684 39.000 0.039 0.000 1.175 441 F HN -0.109 nan 8.300 nan 0.000 0.468 442 W N 6.254 127.649 121.300 0.159 0.000 2.332 442 W HA 0.474 5.134 4.660 -0.000 0.000 0.306 442 W C -1.690 174.906 176.519 0.128 0.000 1.149 442 W CA -0.836 56.596 57.345 0.146 0.000 1.271 442 W CB 0.731 30.245 29.460 0.090 0.000 1.243 442 W HN 0.368 nan 8.180 nan 0.000 0.459 443 L N 7.381 128.313 121.223 -0.485 0.000 2.361 443 L HA -0.031 4.309 4.340 0.001 0.000 0.278 443 L C 1.145 177.681 176.870 -0.557 0.000 1.113 443 L CA -0.437 54.166 54.840 -0.395 0.000 0.849 443 L CB 1.055 42.926 42.059 -0.313 0.000 1.155 443 L HN 0.479 nan 8.230 nan 0.000 0.452 444 L N 3.221 124.364 121.223 -0.133 0.000 2.376 444 L HA 0.044 4.385 4.340 0.001 0.000 0.219 444 L C 1.756 178.630 176.870 0.006 0.000 1.133 444 L CA 1.319 56.181 54.840 0.036 0.000 0.816 444 L CB -0.481 41.675 42.059 0.162 0.000 0.933 444 L HN 0.993 nan 8.230 nan 0.000 0.449 445 G N -1.731 107.045 108.800 -0.041 0.000 2.175 445 G HA2 -0.227 3.734 3.960 0.001 0.000 0.244 445 G HA3 -0.227 3.734 3.960 0.001 0.000 0.244 445 G C 0.032 174.956 174.900 0.040 0.000 0.982 445 G CA 0.052 45.140 45.100 -0.020 0.000 0.641 445 G HN 0.332 nan 8.290 nan 0.000 0.527 446 D N 0.788 121.255 120.400 0.112 0.000 2.175 446 D HA 0.494 5.135 4.640 0.001 0.000 0.248 446 D C 0.742 177.053 176.300 0.018 0.000 1.047 446 D CA -0.393 53.712 54.000 0.174 0.000 0.883 446 D CB 0.972 42.044 40.800 0.454 0.000 1.180 446 D HN 0.090 nan 8.370 nan 0.000 0.438 447 R N 0.534 120.955 120.500 -0.132 0.000 2.577 447 R HA 0.755 5.095 4.340 0.001 0.000 0.269 447 R C 0.515 176.705 176.300 -0.183 0.000 1.084 447 R CA -0.613 55.385 56.100 -0.171 0.000 1.163 447 R CB 1.147 31.305 30.300 -0.236 0.000 1.100 447 R HN 0.643 nan 8.270 nan 0.000 0.547 448 G N 0.287 109.025 108.800 -0.103 0.000 2.523 448 G HA2 0.467 4.427 3.960 0.001 0.000 0.291 448 G HA3 0.467 4.427 3.960 0.001 0.000 0.291 448 G C -1.351 173.548 174.900 -0.002 0.000 1.450 448 G CA -0.735 44.338 45.100 -0.045 0.000 0.790 448 G HN 0.361 nan 8.290 nan 0.000 0.496 449 I N 0.106 120.684 120.570 0.013 0.000 2.693 449 I HA 0.538 4.709 4.170 0.001 0.000 0.303 449 I C -0.014 176.103 176.117 0.000 0.000 1.025 449 I CA -0.890 60.412 61.300 0.003 0.000 1.086 449 I CB 2.483 40.474 38.000 -0.016 0.000 1.268 449 I HN 0.375 nan 8.210 nan 0.000 0.440 450 K N 3.780 124.116 120.400 -0.107 0.000 2.207 450 K HA 0.321 4.641 4.320 0.001 0.000 0.255 450 K C -1.268 175.254 176.600 -0.130 0.000 0.941 450 K CA -0.695 55.406 56.287 -0.310 0.000 0.825 450 K CB 1.401 33.557 32.500 -0.572 0.000 1.119 450 K HN 0.653 nan 8.250 nan 0.000 0.430 451 D N 1.692 122.040 120.400 -0.086 0.000 2.478 451 D HA -0.015 4.625 4.640 0.001 0.000 0.263 451 D C 0.657 176.914 176.300 -0.071 0.000 1.153 451 D CA -0.344 53.629 54.000 -0.045 0.000 1.038 451 D CB 0.658 41.422 40.800 -0.061 0.000 1.120 451 D HN 0.700 nan 8.370 nan 0.000 0.564 452 E N -0.665 119.499 120.200 -0.061 0.000 2.331 452 E HA -0.198 4.153 4.350 0.001 0.000 0.199 452 E C 0.183 176.763 176.600 -0.033 0.000 1.008 452 E CA 1.071 57.443 56.400 -0.047 0.000 0.843 452 E CB -0.238 29.436 29.700 -0.043 0.000 0.761 452 E HN 0.341 nan 8.360 nan 0.000 0.507 453 D N -0.079 120.308 120.400 -0.022 0.000 2.349 453 D HA 0.095 4.735 4.640 0.001 0.000 0.214 453 D C 1.051 177.401 176.300 0.083 0.000 1.063 453 D CA 0.768 54.800 54.000 0.054 0.000 0.847 453 D CB 0.941 41.807 40.800 0.110 0.000 0.933 453 D HN 0.385 nan 8.370 nan 0.000 0.513 454 G N 0.863 109.659 108.800 -0.006 0.000 2.132 454 G HA2 -0.285 3.675 3.960 0.001 0.000 0.228 454 G HA3 -0.285 3.675 3.960 0.001 0.000 0.228 454 G C -0.162 174.631 174.900 -0.179 0.000 1.000 454 G CA -0.406 44.614 45.100 -0.134 0.000 0.693 454 G HN 0.331 nan 8.290 nan 0.000 0.515 455 Y N -0.653 119.518 120.300 -0.216 0.000 2.319 455 Y HA 0.586 5.137 4.550 0.001 0.000 0.328 455 Y C 0.886 176.770 175.900 -0.027 0.000 1.133 455 Y CA -0.656 57.399 58.100 -0.075 0.000 1.265 455 Y CB 0.601 38.938 38.460 -0.204 0.000 1.218 455 Y HN 0.101 nan 8.280 nan 0.000 0.508 456 F N 1.917 122.057 119.950 0.316 0.000 2.399 456 F HA 0.289 4.816 4.527 0.001 0.000 0.334 456 F C 0.118 176.037 175.800 0.199 0.000 1.097 456 F CA -0.630 57.496 58.000 0.210 0.000 1.076 456 F CB 1.234 40.254 39.000 0.033 0.000 1.162 456 F HN 0.354 nan 8.300 nan 0.000 0.495 457 Q N 4.450 124.347 119.800 0.162 0.000 2.341 457 Q HA 0.305 4.646 4.340 0.001 0.000 0.268 457 Q C -1.320 174.661 176.000 -0.032 0.000 1.013 457 Q CA -0.825 54.884 55.803 -0.156 0.000 0.798 457 Q CB 1.010 29.476 28.738 -0.453 0.000 1.253 457 Q HN 0.638 nan 8.270 nan 0.000 0.457 458 F N 5.081 124.926 119.950 -0.176 0.000 2.538 458 F HA 0.153 4.680 4.527 0.000 0.000 0.371 458 F C 0.088 175.803 175.800 -0.141 0.000 1.087 458 F CA 0.297 58.189 58.000 -0.179 0.000 1.250 458 F CB 0.730 39.605 39.000 -0.208 0.000 1.110 458 F HN 0.667 nan 8.300 nan 0.000 0.570 459 M N 5.491 124.601 119.600 -0.816 0.000 2.416 459 M HA 0.312 4.792 4.480 0.001 0.000 0.337 459 M C 0.254 176.076 176.300 -0.797 0.000 1.074 459 M CA 0.419 55.339 55.300 -0.634 0.000 0.968 459 M CB -0.321 32.069 32.600 -0.350 0.000 1.472 459 M HN 0.829 nan 8.290 nan 0.000 0.539 460 G N 1.445 109.357 108.800 -1.481 0.000 2.539 460 G HA2 -0.082 3.879 3.960 0.001 0.000 0.686 460 G HA3 -0.082 3.879 3.960 0.001 0.000 0.686 460 G C -0.839 173.778 174.900 -0.472 0.000 1.258 460 G CA -1.130 43.442 45.100 -0.879 0.000 0.846 460 G HN 0.183 nan 8.290 nan 0.000 0.647 461 R N 0.315 120.740 120.500 -0.126 0.000 2.590 461 R HA 0.495 4.835 4.340 0.001 0.000 0.274 461 R C 1.618 177.857 176.300 -0.101 0.000 1.061 461 R CA 0.471 56.559 56.100 -0.019 0.000 1.081 461 R CB 0.772 31.092 30.300 0.034 0.000 0.984 461 R HN 1.159 nan 8.270 nan 0.000 0.448 462 A N 2.342 125.120 122.820 -0.070 0.000 1.975 462 A HA -0.083 4.237 4.320 0.001 0.000 0.215 462 A C 0.521 178.063 177.584 -0.069 0.000 1.170 462 A CA 1.287 53.274 52.037 -0.084 0.000 0.656 462 A CB -0.119 18.838 19.000 -0.073 0.000 0.821 462 A HN 0.789 nan 8.150 nan 0.000 0.449 463 D N -1.973 118.400 120.400 -0.046 0.000 2.627 463 D HA 0.303 4.944 4.640 0.001 0.000 0.259 463 D C -0.462 175.824 176.300 -0.023 0.000 1.164 463 D CA -0.457 53.522 54.000 -0.035 0.000 1.087 463 D CB -0.062 40.722 40.800 -0.027 0.000 1.217 463 D HN -0.124 nan 8.370 nan 0.000 0.630 464 D N -0.838 119.557 120.400 -0.009 0.000 2.340 464 D HA 0.168 4.808 4.640 0.001 0.000 0.220 464 D C 0.346 176.663 176.300 0.028 0.000 1.039 464 D CA -0.078 53.925 54.000 0.007 0.000 0.866 464 D CB -0.145 40.660 40.800 0.007 0.000 0.913 464 D HN 0.363 nan 8.370 nan 0.000 0.523 465 I N 1.458 122.047 120.570 0.031 0.000 2.775 465 I HA -0.076 4.095 4.170 0.001 0.000 0.290 465 I C 0.674 176.830 176.117 0.066 0.000 1.203 465 I CA 0.439 61.769 61.300 0.051 0.000 1.433 465 I CB 0.505 38.537 38.000 0.052 0.000 1.354 465 I HN -0.249 nan 8.210 nan 0.000 0.579 466 I N 6.323 126.942 120.570 0.081 0.000 2.562 466 I HA 0.303 4.473 4.170 0.001 0.000 0.301 466 I C -0.147 176.030 176.117 0.099 0.000 1.003 466 I CA -0.651 60.708 61.300 0.098 0.000 1.127 466 I CB 1.502 39.563 38.000 0.102 0.000 1.304 466 I HN 0.506 nan 8.210 nan 0.000 0.446 467 N N 3.257 122.016 118.700 0.098 0.000 2.682 467 N HA 0.184 4.925 4.740 0.001 0.000 0.252 467 N C -1.216 174.343 175.510 0.081 0.000 1.081 467 N CA -0.104 52.987 53.050 0.069 0.000 0.844 467 N CB 1.835 40.335 38.487 0.021 0.000 1.167 467 N HN 0.436 nan 8.380 nan 0.000 0.523 468 S N 1.317 117.085 115.700 0.112 0.000 2.420 468 S HA 0.527 4.997 4.470 0.001 0.000 0.313 468 S C 0.442 175.129 174.600 0.144 0.000 1.079 468 S CA 0.047 58.316 58.200 0.115 0.000 1.104 468 S CB 0.064 63.330 63.200 0.111 0.000 0.969 468 S HN 0.605 nan 8.310 nan 0.000 0.471 469 S N 3.735 119.484 115.700 0.081 0.000 3.949 469 S HA -0.227 4.243 4.470 0.001 0.000 0.626 469 S C 1.221 175.761 174.600 -0.100 0.000 2.168 469 S CA 0.933 59.157 58.200 0.040 0.000 4.124 469 S CB -1.552 61.726 63.200 0.130 0.000 0.220 469 S HN 1.138 nan 8.310 nan 0.000 0.750 470 G N -0.125 108.513 108.800 -0.270 0.000 2.985 470 G HA2 0.338 4.299 3.960 0.001 0.000 0.209 470 G HA3 0.338 4.299 3.960 0.001 0.000 0.209 470 G C -0.229 174.157 174.900 -0.855 0.000 1.165 470 G CA 0.215 44.848 45.100 -0.779 0.000 0.776 470 G HN 0.443 nan 8.290 nan 0.000 0.541 471 Y N 0.236 120.421 120.300 -0.192 0.000 2.327 471 Y HA 0.420 4.970 4.550 0.000 0.000 0.336 471 Y C 0.774 176.636 175.900 -0.064 0.000 1.035 471 Y CA -1.009 57.034 58.100 -0.095 0.000 1.165 471 Y CB 1.064 39.488 38.460 -0.061 0.000 1.181 471 Y HN -0.081 nan 8.280 nan 0.000 0.494 472 R N 4.639 125.198 120.500 0.099 0.000 2.198 472 R HA 0.554 4.894 4.340 0.001 0.000 0.339 472 R C -1.596 174.824 176.300 0.199 0.000 1.020 472 R CA -0.307 55.851 56.100 0.096 0.000 0.864 472 R CB -0.024 30.294 30.300 0.030 0.000 1.105 472 R HN 0.708 nan 8.270 nan 0.000 0.463 473 I N 3.211 123.895 120.570 0.189 0.000 2.404 473 I HA 0.366 4.536 4.170 0.001 0.000 0.293 473 I C 0.695 176.884 176.117 0.121 0.000 0.992 473 I CA -0.672 60.748 61.300 0.200 0.000 1.149 473 I CB 2.214 40.326 38.000 0.186 0.000 1.315 473 I HN 0.647 nan 8.210 nan 0.000 0.446 474 G N 5.639 114.499 108.800 0.100 0.000 2.356 474 G HA2 0.420 4.381 3.960 0.001 0.000 0.298 474 G HA3 0.420 4.381 3.960 0.001 0.000 0.298 474 G C -1.960 172.962 174.900 0.036 0.000 1.145 474 G CA -1.176 43.959 45.100 0.058 0.000 0.850 474 G HN 0.379 nan 8.290 nan 0.000 0.487 475 P HA -0.097 nan 4.420 nan 0.000 0.216 475 P C 1.932 179.237 177.300 0.008 0.000 1.153 475 P CA 1.066 64.181 63.100 0.025 0.000 0.848 475 P CB 0.238 31.956 31.700 0.030 0.000 0.787 476 S N 0.064 115.765 115.700 0.001 0.000 2.442 476 S HA -0.145 4.326 4.470 0.001 0.000 0.236 476 S C 1.762 176.343 174.600 -0.032 0.000 1.007 476 S CA 1.091 59.284 58.200 -0.012 0.000 0.965 476 S CB -0.755 62.437 63.200 -0.014 0.000 0.773 476 S HN 0.383 nan 8.310 nan 0.000 0.504 477 E N 0.785 120.962 120.200 -0.040 0.000 2.047 477 E HA -0.084 4.267 4.350 0.001 0.000 0.191 477 E C 2.081 178.643 176.600 -0.063 0.000 0.987 477 E CA 1.206 57.564 56.400 -0.069 0.000 0.799 477 E CB -0.196 29.465 29.700 -0.066 0.000 0.752 477 E HN 0.312 nan 8.360 nan 0.000 0.449 478 V N 1.488 121.377 119.914 -0.042 0.000 2.323 478 V HA -0.221 3.899 4.120 0.001 0.000 0.244 478 V C 2.028 178.112 176.094 -0.016 0.000 1.041 478 V CA 1.800 64.077 62.300 -0.038 0.000 1.025 478 V CB -0.581 31.227 31.823 -0.025 0.000 0.656 478 V HN 0.196 nan 8.190 nan 0.000 0.451 479 E N 0.675 120.874 120.200 -0.002 0.000 2.070 479 E HA -0.268 4.082 4.350 0.001 0.000 0.197 479 E C 2.162 178.770 176.600 0.013 0.000 1.004 479 E CA 1.687 58.095 56.400 0.012 0.000 0.805 479 E CB -0.301 29.409 29.700 0.016 0.000 0.744 479 E HN 0.542 nan 8.360 nan 0.000 0.451 480 N N 0.622 119.320 118.700 -0.003 0.000 2.069 480 N HA -0.178 4.563 4.740 0.001 0.000 0.191 480 N C 1.703 177.219 175.510 0.010 0.000 1.031 480 N CA 1.436 54.485 53.050 -0.002 0.000 0.852 480 N CB -0.563 37.908 38.487 -0.026 0.000 1.018 480 N HN 0.190 nan 8.380 nan 0.000 0.423 481 A N 0.979 123.790 122.820 -0.015 0.000 1.892 481 A HA -0.116 4.204 4.320 0.001 0.000 0.218 481 A C 2.387 180.014 177.584 0.072 0.000 1.188 481 A CA 1.203 53.223 52.037 -0.028 0.000 0.631 481 A CB -0.848 18.100 19.000 -0.087 0.000 0.822 481 A HN 0.264 nan 8.150 nan 0.000 0.447 482 L N -1.265 120.006 121.223 0.080 0.000 2.093 482 L HA -0.130 4.210 4.340 0.001 0.000 0.208 482 L C 2.592 179.540 176.870 0.128 0.000 1.085 482 L CA 0.778 55.695 54.840 0.128 0.000 0.755 482 L CB -0.331 41.763 42.059 0.058 0.000 0.904 482 L HN 0.314 nan 8.230 nan 0.000 0.435 483 M N -0.710 118.943 119.600 0.089 0.000 2.476 483 M HA -0.133 4.348 4.480 0.001 0.000 0.262 483 M C 1.854 178.204 176.300 0.082 0.000 1.079 483 M CA 1.300 56.640 55.300 0.067 0.000 1.104 483 M CB -0.747 31.880 32.600 0.044 0.000 1.409 483 M HN 0.271 nan 8.290 nan 0.000 0.467 484 E N -0.982 119.302 120.200 0.140 0.000 2.347 484 E HA -0.111 4.239 4.350 0.001 0.000 0.196 484 E C 0.663 177.326 176.600 0.106 0.000 1.008 484 E CA 0.266 56.756 56.400 0.150 0.000 0.852 484 E CB 0.054 29.870 29.700 0.194 0.000 0.783 484 E HN 0.356 nan 8.360 nan 0.000 0.505 485 H N 0.856 119.884 119.070 -0.070 0.000 2.604 485 H HA 0.084 4.641 4.556 0.000 0.000 0.306 485 H C -1.891 173.271 175.328 -0.277 0.000 1.075 485 H CA -2.465 53.335 56.048 -0.414 0.000 1.357 485 H CB 1.438 30.755 29.762 -0.742 0.000 1.426 485 H HN -0.108 nan 8.280 nan 0.000 0.470 486 P HA -0.037 nan 4.420 nan 0.000 0.239 486 P C 0.884 178.101 177.300 -0.138 0.000 1.184 486 P CA 0.683 63.741 63.100 -0.070 0.000 0.760 486 P CB 0.044 31.743 31.700 -0.003 0.000 0.884 487 A N -0.392 122.184 122.820 -0.407 0.000 2.067 487 A HA 0.064 4.384 4.320 0.001 0.000 0.217 487 A C 1.113 178.513 177.584 -0.307 0.000 1.156 487 A CA 0.541 52.039 52.037 -0.897 0.000 0.683 487 A CB -0.608 17.546 19.000 -1.410 0.000 0.808 487 A HN 0.085 nan 8.150 nan 0.000 0.455 488 V N 1.066 120.887 119.914 -0.155 0.000 2.406 488 V HA 0.199 4.319 4.120 0.001 0.000 0.272 488 V C 1.462 177.551 176.094 -0.009 0.000 1.043 488 V CA 0.340 62.608 62.300 -0.054 0.000 0.915 488 V CB 1.134 32.944 31.823 -0.021 0.000 0.988 488 V HN 0.351 nan 8.190 nan 0.000 0.466 489 V N 2.265 122.187 119.914 0.013 0.000 2.949 489 V HA 0.393 4.513 4.120 0.001 0.000 0.245 489 V C 0.570 176.682 176.094 0.030 0.000 1.086 489 V CA 1.058 63.373 62.300 0.025 0.000 1.097 489 V CB 0.322 32.164 31.823 0.031 0.000 0.762 489 V HN 0.880 nan 8.190 nan 0.000 0.470 490 E N -0.876 119.347 120.200 0.039 0.000 2.390 490 E HA 0.544 4.895 4.350 0.001 0.000 0.280 490 E C -1.449 175.184 176.600 0.055 0.000 0.992 490 E CA -0.105 56.319 56.400 0.041 0.000 0.790 490 E CB 2.368 32.092 29.700 0.040 0.000 1.248 490 E HN 0.319 nan 8.360 nan 0.000 0.447 491 T N 0.541 115.126 114.554 0.053 0.000 3.087 491 T HA 0.662 5.013 4.350 0.001 0.000 0.351 491 T C -2.064 172.676 174.700 0.066 0.000 1.520 491 T CA -0.129 62.013 62.100 0.070 0.000 1.111 491 T CB 1.245 70.148 68.868 0.059 0.000 1.353 491 T HN 0.516 nan 8.240 nan 0.000 0.481 492 A N 3.379 126.262 122.820 0.104 0.000 2.330 492 A HA 0.783 5.104 4.320 0.001 0.000 0.313 492 A C -0.787 176.900 177.584 0.172 0.000 1.124 492 A CA -0.567 51.526 52.037 0.094 0.000 0.774 492 A CB 1.432 20.442 19.000 0.017 0.000 1.198 492 A HN 0.830 nan 8.150 nan 0.000 0.465 493 V N 4.578 124.561 119.914 0.114 0.000 2.384 493 V HA 0.539 4.660 4.120 0.001 0.000 0.287 493 V C 0.078 176.247 176.094 0.125 0.000 1.020 493 V CA -0.141 62.227 62.300 0.113 0.000 0.850 493 V CB 0.769 32.625 31.823 0.054 0.000 0.987 493 V HN 0.856 nan 8.190 nan 0.000 0.436 494 I N 2.098 122.774 120.570 0.176 0.000 3.294 494 I HA 0.836 5.006 4.170 0.001 0.000 0.311 494 I C 0.282 176.502 176.117 0.172 0.000 1.111 494 I CA -0.773 60.634 61.300 0.178 0.000 0.976 494 I CB 2.406 40.552 38.000 0.243 0.000 1.260 494 I HN 0.540 nan 8.210 nan 0.000 0.474 495 S N 1.363 117.197 115.700 0.223 0.000 2.580 495 S HA 0.559 5.029 4.470 0.001 0.000 0.274 495 S C -0.123 174.701 174.600 0.373 0.000 1.329 495 S CA -0.497 57.874 58.200 0.284 0.000 1.036 495 S CB 1.179 64.587 63.200 0.346 0.000 0.919 495 S HN 0.773 nan 8.310 nan 0.000 0.515 496 S N 2.128 117.936 115.700 0.179 0.000 2.540 496 S HA 0.686 5.157 4.470 0.001 0.000 0.275 496 S C -3.038 171.350 174.600 -0.353 0.000 1.123 496 S CA -1.551 56.561 58.200 -0.146 0.000 0.907 496 S CB 1.533 64.636 63.200 -0.161 0.000 1.081 496 S HN 0.672 nan 8.310 nan 0.000 0.476 497 P HA 0.490 nan 4.420 nan 0.000 0.276 497 P C -1.408 175.682 177.300 -0.351 0.000 1.244 497 P CA -0.158 62.508 63.100 -0.724 0.000 0.801 497 P CB 0.694 31.707 31.700 -1.145 0.000 1.006 498 D N 1.178 121.461 120.400 -0.195 0.000 2.861 498 D HA 0.265 4.905 4.640 0.001 0.000 0.216 498 D C -2.091 174.171 176.300 -0.063 0.000 1.323 498 D CA -1.720 52.208 54.000 -0.120 0.000 0.917 498 D CB 1.319 42.064 40.800 -0.091 0.000 1.582 498 D HN -0.016 nan 8.370 nan 0.000 0.576 499 P HA -0.068 nan 4.420 nan 0.000 0.217 499 P C 1.387 178.687 177.300 0.001 0.000 1.151 499 P CA 0.367 63.455 63.100 -0.020 0.000 0.828 499 P CB 0.349 32.037 31.700 -0.020 0.000 0.788 500 V N 0.859 120.772 119.914 -0.001 0.000 2.221 500 V HA -0.182 3.938 4.120 0.001 0.000 0.242 500 V C 2.483 178.592 176.094 0.026 0.000 1.041 500 V CA 2.039 64.348 62.300 0.016 0.000 0.995 500 V CB -1.009 30.823 31.823 0.014 0.000 0.635 500 V HN 0.047 nan 8.190 nan 0.000 0.448 501 R N -0.716 119.793 120.500 0.016 0.000 2.254 501 R HA 0.341 4.682 4.340 0.001 0.000 0.195 501 R C 1.548 177.867 176.300 0.031 0.000 0.957 501 R CA 0.781 56.897 56.100 0.027 0.000 1.024 501 R CB 0.494 30.805 30.300 0.018 0.000 0.952 501 R HN 0.637 nan 8.270 nan 0.000 0.484 502 G N 1.327 110.139 108.800 0.021 0.000 4.013 502 G HA2 -0.291 3.669 3.960 0.001 0.000 0.255 502 G HA3 -0.291 3.669 3.960 0.001 0.000 0.255 502 G C -0.349 174.582 174.900 0.053 0.000 1.765 502 G CA -0.040 45.087 45.100 0.044 0.000 1.396 502 G HN 0.308 nan 8.290 nan 0.000 0.605 503 E N 0.094 120.341 120.200 0.078 0.000 2.248 503 E HA 0.580 4.930 4.350 0.001 0.000 0.267 503 E C -0.404 176.232 176.600 0.060 0.000 0.877 503 E CA -0.358 56.110 56.400 0.114 0.000 0.759 503 E CB 2.348 32.180 29.700 0.220 0.000 1.182 503 E HN 1.234 nan 8.360 nan 0.000 0.418 504 V N 0.282 120.212 119.914 0.027 0.000 3.160 504 V HA 0.597 4.718 4.120 0.001 0.000 0.310 504 V C -0.781 175.297 176.094 -0.027 0.000 1.181 504 V CA -0.944 61.340 62.300 -0.027 0.000 1.047 504 V CB 1.622 33.389 31.823 -0.094 0.000 1.068 504 V HN 0.397 nan 8.190 nan 0.000 0.441 505 V N 2.150 122.014 119.914 -0.082 0.000 2.455 505 V HA 0.442 4.563 4.120 0.001 0.000 0.273 505 V C 0.176 176.200 176.094 -0.117 0.000 1.045 505 V CA -0.022 62.232 62.300 -0.076 0.000 0.976 505 V CB 0.714 32.473 31.823 -0.107 0.000 0.993 505 V HN 1.036 nan 8.190 nan 0.000 0.475 506 K N 3.990 124.345 120.400 -0.074 0.000 2.316 506 K HA 0.803 5.123 4.320 0.001 0.000 0.251 506 K C -0.730 175.806 176.600 -0.107 0.000 0.934 506 K CA -0.612 55.590 56.287 -0.141 0.000 0.802 506 K CB 1.884 34.276 32.500 -0.180 0.000 1.171 506 K HN 0.747 nan 8.250 nan 0.000 0.426 507 A N 4.653 127.359 122.820 -0.189 0.000 2.285 507 A HA 0.499 4.819 4.320 0.001 0.000 0.310 507 A C -1.262 176.194 177.584 -0.214 0.000 1.266 507 A CA -0.686 51.283 52.037 -0.113 0.000 0.832 507 A CB -0.015 18.928 19.000 -0.095 0.000 1.163 507 A HN 0.662 nan 8.150 nan 0.000 0.499 508 F N 2.348 122.251 119.950 -0.079 0.000 2.445 508 F HA 0.427 4.954 4.527 0.001 0.000 0.359 508 F C 0.350 176.123 175.800 -0.045 0.000 1.101 508 F CA 0.110 58.066 58.000 -0.072 0.000 1.177 508 F CB 1.293 40.274 39.000 -0.032 0.000 1.110 508 F HN 0.247 nan 8.300 nan 0.000 0.522 509 V N 4.831 124.798 119.914 0.089 0.000 2.588 509 V HA 0.383 4.504 4.120 0.001 0.000 0.304 509 V C -0.495 175.733 176.094 0.222 0.000 1.042 509 V CA -0.929 61.453 62.300 0.136 0.000 0.877 509 V CB 2.159 34.058 31.823 0.126 0.000 0.996 509 V HN 0.400 nan 8.190 nan 0.000 0.425 510 V N 6.297 126.304 119.914 0.155 0.000 2.432 510 V HA 0.414 4.534 4.120 0.001 0.000 0.275 510 V C 0.098 176.247 176.094 0.092 0.000 1.043 510 V CA -0.388 61.991 62.300 0.131 0.000 0.925 510 V CB 1.337 33.211 31.823 0.085 0.000 0.985 510 V HN 0.603 nan 8.190 nan 0.000 0.466 511 L N 3.930 125.189 121.223 0.060 0.000 2.399 511 L HA 0.645 4.985 4.340 0.001 0.000 0.266 511 L C 0.867 177.745 176.870 0.013 0.000 1.114 511 L CA -0.300 54.526 54.840 -0.022 0.000 0.804 511 L CB 1.024 42.991 42.059 -0.154 0.000 1.146 511 L HN 0.746 nan 8.230 nan 0.000 0.451 512 A N 1.069 123.911 122.820 0.036 0.000 2.425 512 A HA 0.217 4.537 4.320 0.001 0.000 0.242 512 A C 1.215 178.859 177.584 0.101 0.000 1.077 512 A CA 0.283 52.378 52.037 0.097 0.000 0.781 512 A CB 0.432 19.544 19.000 0.187 0.000 1.020 512 A HN 0.913 nan 8.150 nan 0.000 0.494 513 S N 0.438 116.176 115.700 0.065 0.000 2.402 513 S HA -0.167 4.304 4.470 0.001 0.000 0.229 513 S C 1.416 176.023 174.600 0.011 0.000 1.021 513 S CA 1.230 59.448 58.200 0.031 0.000 0.974 513 S CB -0.261 62.950 63.200 0.017 0.000 0.800 513 S HN 0.829 nan 8.310 nan 0.000 0.484 514 Q N -0.182 119.617 119.800 -0.001 0.000 2.415 514 Q HA 0.169 4.509 4.340 0.001 0.000 0.206 514 Q C 0.385 176.209 176.000 -0.292 0.000 0.946 514 Q CA 0.385 56.118 55.803 -0.116 0.000 0.951 514 Q CB -0.711 27.940 28.738 -0.144 0.000 1.026 514 Q HN 0.654 nan 8.270 nan 0.000 0.510 515 F N 0.047 119.930 119.950 -0.111 0.000 2.682 515 F HA 0.306 4.833 4.527 0.000 0.000 0.308 515 F C 1.455 177.155 175.800 -0.167 0.000 1.093 515 F CA -0.214 57.632 58.000 -0.257 0.000 1.244 515 F CB 0.489 39.267 39.000 -0.370 0.000 1.052 515 F HN -0.046 nan 8.300 nan 0.000 0.573 516 L N -0.445 120.796 121.223 0.030 0.000 2.465 516 L HA -0.110 4.230 4.340 0.001 0.000 0.224 516 L C 2.361 179.247 176.870 0.027 0.000 1.145 516 L CA 1.022 55.860 54.840 -0.003 0.000 0.834 516 L CB -0.574 41.480 42.059 -0.009 0.000 0.944 516 L HN 0.178 nan 8.230 nan 0.000 0.451 517 S N -2.481 113.262 115.700 0.071 0.000 2.395 517 S HA -0.086 4.385 4.470 0.001 0.000 0.225 517 S C 0.865 175.522 174.600 0.095 0.000 1.027 517 S CA -0.088 58.148 58.200 0.061 0.000 0.965 517 S CB -0.460 62.755 63.200 0.026 0.000 0.812 517 S HN 0.319 nan 8.310 nan 0.000 0.482 518 H N 2.517 121.572 119.070 -0.025 0.000 3.058 518 H HA 0.283 4.839 4.556 0.001 0.000 0.347 518 H C -0.028 175.292 175.328 -0.014 0.000 1.087 518 H CA 0.629 56.678 56.048 0.003 0.000 1.375 518 H CB -0.080 29.721 29.762 0.067 0.000 1.312 518 H HN 0.312 nan 8.280 nan 0.000 0.607 519 D N 1.865 122.323 120.400 0.096 0.000 2.351 519 D HA 0.081 4.721 4.640 0.001 0.000 0.251 519 D C -1.739 174.617 176.300 0.093 0.000 1.137 519 D CA -1.948 52.092 54.000 0.067 0.000 0.879 519 D CB 1.078 41.905 40.800 0.044 0.000 1.181 519 D HN 0.224 nan 8.370 nan 0.000 0.448 520 P HA -0.079 nan 4.420 nan 0.000 0.221 520 P C 0.903 178.347 177.300 0.239 0.000 1.150 520 P CA 0.727 63.924 63.100 0.162 0.000 0.800 520 P CB 0.260 32.089 31.700 0.215 0.000 0.787 521 E N -0.528 119.758 120.200 0.143 0.000 2.107 521 E HA -0.181 4.170 4.350 0.001 0.000 0.191 521 E C 1.741 178.403 176.600 0.103 0.000 0.982 521 E CA 0.855 57.321 56.400 0.110 0.000 0.809 521 E CB -0.017 29.726 29.700 0.070 0.000 0.756 521 E HN 0.116 nan 8.360 nan 0.000 0.459 522 Q N -0.046 119.815 119.800 0.103 0.000 2.339 522 Q HA -0.026 4.315 4.340 0.001 0.000 0.205 522 Q C 2.123 178.203 176.000 0.133 0.000 0.925 522 Q CA 0.262 56.124 55.803 0.098 0.000 0.898 522 Q CB -0.044 28.739 28.738 0.075 0.000 1.013 522 Q HN 0.270 nan 8.270 nan 0.000 0.504 523 L N 0.901 122.226 121.223 0.170 0.000 2.141 523 L HA -0.089 4.251 4.340 0.001 0.000 0.209 523 L C 1.917 178.878 176.870 0.151 0.000 1.094 523 L CA 1.688 56.628 54.840 0.167 0.000 0.763 523 L CB -0.721 41.393 42.059 0.092 0.000 0.908 523 L HN 0.079 nan 8.230 nan 0.000 0.437 524 T N -0.750 113.932 114.554 0.212 0.000 2.674 524 T HA -0.200 4.150 4.350 0.001 0.000 0.265 524 T C 2.035 176.779 174.700 0.073 0.000 1.039 524 T CA 1.812 64.004 62.100 0.153 0.000 1.150 524 T CB -0.111 68.822 68.868 0.107 0.000 0.864 524 T HN 0.249 nan 8.240 nan 0.000 0.427 525 K N 0.998 121.440 120.400 0.070 0.000 2.044 525 K HA -0.173 4.147 4.320 0.001 0.000 0.210 525 K C 2.266 178.890 176.600 0.040 0.000 1.049 525 K CA 1.751 58.064 56.287 0.045 0.000 0.927 525 K CB -0.669 31.857 32.500 0.044 0.000 0.713 525 K HN 0.731 nan 8.250 nan 0.000 0.443 526 E N 0.258 120.496 120.200 0.064 0.000 2.085 526 E HA -0.163 4.188 4.350 0.001 0.000 0.194 526 E C 2.064 178.691 176.600 0.046 0.000 0.994 526 E CA 1.430 57.878 56.400 0.079 0.000 0.801 526 E CB -0.145 29.633 29.700 0.130 0.000 0.743 526 E HN 0.381 nan 8.360 nan 0.000 0.453 527 L N 0.241 121.438 121.223 -0.042 0.000 2.072 527 L HA -0.167 4.173 4.340 0.001 0.000 0.205 527 L C 2.728 179.623 176.870 0.042 0.000 1.079 527 L CA 1.169 55.954 54.840 -0.092 0.000 0.752 527 L CB -0.329 41.648 42.059 -0.137 0.000 0.906 527 L HN 0.195 nan 8.230 nan 0.000 0.436 528 Q N -0.469 119.351 119.800 0.033 0.000 2.050 528 Q HA -0.293 4.047 4.340 0.001 0.000 0.202 528 Q C 2.204 178.165 176.000 -0.065 0.000 0.980 528 Q CA 1.791 57.611 55.803 0.030 0.000 0.840 528 Q CB -0.180 28.583 28.738 0.042 0.000 0.898 528 Q HN 0.288 nan 8.270 nan 0.000 0.424 529 Q N 0.102 119.872 119.800 -0.050 0.000 2.170 529 Q HA -0.233 4.107 4.340 0.001 0.000 0.203 529 Q C 1.697 177.697 176.000 0.000 0.000 0.976 529 Q CA 1.937 57.703 55.803 -0.062 0.000 0.858 529 Q CB -0.290 28.437 28.738 -0.019 0.000 0.907 529 Q HN 0.544 nan 8.270 nan 0.000 0.433 530 H N -0.936 118.130 119.070 -0.007 0.000 2.321 530 H HA -0.061 4.495 4.556 0.000 0.000 0.300 530 H C 1.625 176.954 175.328 0.002 0.000 1.087 530 H CA 2.105 58.176 56.048 0.039 0.000 1.319 530 H CB -0.201 29.651 29.762 0.149 0.000 1.379 530 H HN 0.145 nan 8.280 nan 0.000 0.501 531 V N 0.805 120.625 119.914 -0.157 0.000 2.427 531 V HA -0.190 3.930 4.120 0.001 0.000 0.248 531 V C 2.282 178.269 176.094 -0.179 0.000 1.051 531 V CA 2.046 64.229 62.300 -0.196 0.000 1.048 531 V CB -0.398 31.397 31.823 -0.048 0.000 0.666 531 V HN 0.408 nan 8.190 nan 0.000 0.456 532 K N 0.887 121.189 120.400 -0.163 0.000 2.147 532 K HA -0.147 4.173 4.320 0.001 0.000 0.205 532 K C 2.335 178.843 176.600 -0.154 0.000 1.049 532 K CA 1.747 57.926 56.287 -0.179 0.000 0.936 532 K CB -0.260 32.096 32.500 -0.241 0.000 0.722 532 K HN 0.651 nan 8.250 nan 0.000 0.446 533 S N 0.219 115.830 115.700 -0.148 0.000 2.458 533 S HA -0.055 4.416 4.470 0.001 0.000 0.223 533 S C 2.029 176.551 174.600 -0.129 0.000 1.019 533 S CA 0.628 58.760 58.200 -0.114 0.000 0.937 533 S CB -0.164 62.994 63.200 -0.069 0.000 0.788 533 S HN 0.179 nan 8.310 nan 0.000 0.511 534 V N -1.515 118.279 119.914 -0.200 0.000 3.471 534 V HA 0.369 4.489 4.120 0.001 0.000 0.258 534 V C 0.706 176.709 176.094 -0.153 0.000 1.192 534 V CA 0.772 62.965 62.300 -0.177 0.000 1.116 534 V CB -0.321 31.360 31.823 -0.236 0.000 0.792 534 V HN 0.525 nan 8.190 nan 0.000 0.459 535 T N -0.251 114.199 114.554 -0.173 0.000 2.812 535 T HA 0.716 5.066 4.350 0.001 0.000 0.294 535 T C -0.321 174.254 174.700 -0.208 0.000 1.159 535 T CA 0.028 62.023 62.100 -0.175 0.000 1.008 535 T CB 1.540 70.295 68.868 -0.187 0.000 1.289 535 T HN 0.944 nan 8.240 nan 0.000 0.514 536 A N 2.932 125.599 122.820 -0.255 0.000 2.545 536 A HA 0.400 4.720 4.320 0.001 0.000 0.253 536 A C -1.582 175.761 177.584 -0.401 0.000 1.074 536 A CA -0.745 51.123 52.037 -0.281 0.000 0.760 536 A CB -0.403 18.461 19.000 -0.226 0.000 1.005 536 A HN 0.700 nan 8.150 nan 0.000 0.506 537 P HA -0.210 nan 4.420 nan 0.000 0.224 537 P C 0.911 178.163 177.300 -0.079 0.000 1.142 537 P CA 1.606 64.623 63.100 -0.138 0.000 0.778 537 P CB -0.227 31.415 31.700 -0.096 0.000 0.764 538 Y N 0.985 121.167 120.300 -0.197 0.000 2.403 538 Y HA -0.123 4.427 4.550 0.000 0.000 0.291 538 Y C 1.349 177.138 175.900 -0.185 0.000 1.143 538 Y CA 0.779 58.677 58.100 -0.337 0.000 1.257 538 Y CB -1.427 36.419 38.460 -1.022 0.000 0.984 538 Y HN 0.020 nan 8.280 nan 0.000 0.550 539 K N 0.512 120.615 120.400 -0.496 0.000 2.577 539 K HA 0.098 4.419 4.320 0.001 0.000 0.210 539 K C -0.695 175.830 176.600 -0.125 0.000 1.048 539 K CA -0.517 55.612 56.287 -0.263 0.000 1.188 539 K CB -0.745 31.522 32.500 -0.388 0.000 0.910 539 K HN 0.456 nan 8.250 nan 0.000 0.483 540 Y N 1.059 121.263 120.300 -0.160 0.000 2.299 540 Y HA 0.433 4.984 4.550 0.000 0.000 0.326 540 Y C -2.648 173.205 175.900 -0.078 0.000 1.164 540 Y CA -3.492 54.535 58.100 -0.121 0.000 1.234 540 Y CB 0.730 39.120 38.460 -0.117 0.000 1.219 540 Y HN -0.042 nan 8.280 nan 0.000 0.497 541 P HA 0.205 nan 4.420 nan 0.000 0.274 541 P C -0.290 176.863 177.300 -0.244 0.000 1.291 541 P CA -0.026 62.970 63.100 -0.173 0.000 0.815 541 P CB 0.971 32.629 31.700 -0.071 0.000 0.897 542 R N 2.372 122.611 120.500 -0.435 0.000 2.148 542 R HA 0.012 4.352 4.340 0.001 0.000 0.223 542 R C 0.446 176.653 176.300 -0.154 0.000 1.088 542 R CA 0.949 56.846 56.100 -0.337 0.000 0.985 542 R CB 0.036 30.123 30.300 -0.355 0.000 0.880 542 R HN 0.495 nan 8.270 nan 0.000 0.451 543 K N 1.149 121.437 120.400 -0.186 0.000 2.413 543 K HA 0.422 4.742 4.320 0.001 0.000 0.257 543 K C -0.758 175.686 176.600 -0.261 0.000 0.946 543 K CA -0.309 55.856 56.287 -0.203 0.000 0.823 543 K CB 2.415 34.780 32.500 -0.225 0.000 1.109 543 K HN -0.086 nan 8.250 nan 0.000 0.427 544 I N 1.862 122.253 120.570 -0.298 0.000 2.441 544 I HA 0.288 4.458 4.170 0.001 0.000 0.295 544 I C -0.274 175.482 176.117 -0.603 0.000 0.994 544 I CA -0.671 60.356 61.300 -0.454 0.000 1.144 544 I CB 1.807 39.512 38.000 -0.492 0.000 1.314 544 I HN 0.651 nan 8.210 nan 0.000 0.445 545 E N 5.618 125.412 120.200 -0.676 0.000 2.234 545 E HA 0.443 4.793 4.350 0.001 0.000 0.266 545 E C -1.722 174.583 176.600 -0.493 0.000 0.877 545 E CA -0.636 55.419 56.400 -0.575 0.000 0.758 545 E CB 1.483 30.887 29.700 -0.492 0.000 1.170 545 E HN 0.297 nan 8.360 nan 0.000 0.415 546 F N 3.613 123.540 119.950 -0.039 0.000 2.411 546 F HA 0.344 4.871 4.527 0.000 0.000 0.350 546 F C 0.245 176.069 175.800 0.040 0.000 1.114 546 F CA -0.595 57.406 58.000 0.002 0.000 1.135 546 F CB 1.502 40.499 39.000 -0.004 0.000 1.120 546 F HN 0.238 nan 8.300 nan 0.000 0.495 547 V N 2.847 122.909 119.914 0.247 0.000 2.876 547 V HA 0.455 4.576 4.120 0.001 0.000 0.312 547 V C 0.098 176.275 176.094 0.137 0.000 1.085 547 V CA -0.969 61.437 62.300 0.178 0.000 0.945 547 V CB 1.930 33.869 31.823 0.194 0.000 1.017 547 V HN 0.780 nan 8.190 nan 0.000 0.428 548 L N 2.128 123.410 121.223 0.098 0.000 2.291 548 L HA 0.170 4.511 4.340 0.001 0.000 0.214 548 L C 0.630 177.535 176.870 0.058 0.000 1.120 548 L CA 1.402 56.284 54.840 0.070 0.000 0.799 548 L CB -0.636 41.454 42.059 0.053 0.000 0.925 548 L HN 1.060 nan 8.230 nan 0.000 0.446 549 N N -1.897 116.837 118.700 0.058 0.000 3.043 549 N HA 0.474 5.214 4.740 0.001 0.000 0.243 549 N C -1.348 174.178 175.510 0.027 0.000 1.347 549 N CA -0.755 52.318 53.050 0.039 0.000 0.896 549 N CB 0.957 39.459 38.487 0.025 0.000 1.501 549 N HN -0.169 nan 8.380 nan 0.000 0.504 550 L N -0.365 120.863 121.223 0.008 0.000 2.334 550 L HA 0.732 5.072 4.340 0.001 0.000 0.270 550 L C -2.166 174.677 176.870 -0.045 0.000 1.018 550 L CA -2.007 52.815 54.840 -0.030 0.000 0.811 550 L CB 1.509 43.552 42.059 -0.028 0.000 1.271 550 L HN 0.531 nan 8.230 nan 0.000 0.443 551 P HA 0.257 nan 4.420 nan 0.000 0.282 551 P C -1.357 175.910 177.300 -0.055 0.000 1.274 551 P CA -0.329 62.731 63.100 -0.067 0.000 0.770 551 P CB 0.579 32.225 31.700 -0.091 0.000 0.867 552 K N 1.039 121.417 120.400 -0.036 0.000 2.295 552 K HA 0.548 4.868 4.320 0.001 0.000 0.239 552 K C 0.530 177.115 176.600 -0.026 0.000 0.991 552 K CA -0.696 55.574 56.287 -0.029 0.000 0.845 552 K CB 1.484 33.973 32.500 -0.019 0.000 1.197 552 K HN 0.417 nan 8.250 nan 0.000 0.441 553 T N -2.880 111.661 114.554 -0.023 0.000 2.810 553 T HA 0.114 4.465 4.350 0.001 0.000 0.277 553 T C 1.424 176.115 174.700 -0.014 0.000 0.973 553 T CA -0.535 61.553 62.100 -0.019 0.000 0.949 553 T CB 0.700 69.556 68.868 -0.019 0.000 1.075 553 T HN 0.394 nan 8.240 nan 0.000 0.537 554 V N -1.483 118.423 119.914 -0.012 0.000 3.041 554 V HA 0.042 4.163 4.120 0.001 0.000 0.260 554 V C 2.207 178.297 176.094 -0.008 0.000 1.105 554 V CA 1.504 63.798 62.300 -0.009 0.000 1.125 554 V CB -1.772 30.046 31.823 -0.008 0.000 0.730 554 V HN 1.093 nan 8.190 nan 0.000 0.479 555 T N -2.792 111.757 114.554 -0.008 0.000 3.148 555 T HA 0.364 4.714 4.350 0.001 0.000 0.253 555 T C 1.675 176.371 174.700 -0.006 0.000 1.134 555 T CA 0.834 62.930 62.100 -0.007 0.000 1.051 555 T CB -0.027 68.837 68.868 -0.007 0.000 0.959 555 T HN 1.609 nan 8.240 nan 0.000 0.525 556 G N 1.236 110.031 108.800 -0.008 0.000 2.141 556 G HA2 -0.209 3.751 3.960 0.001 0.000 0.242 556 G HA3 -0.209 3.751 3.960 0.001 0.000 0.242 556 G C -0.025 174.870 174.900 -0.009 0.000 0.982 556 G CA -0.269 44.827 45.100 -0.007 0.000 0.662 556 G HN 0.550 nan 8.290 nan 0.000 0.527 557 K N 0.696 121.089 120.400 -0.012 0.000 2.316 557 K HA 0.375 4.695 4.320 0.001 0.000 0.289 557 K C 1.079 177.666 176.600 -0.021 0.000 1.070 557 K CA -0.540 55.739 56.287 -0.014 0.000 0.928 557 K CB 0.934 33.425 32.500 -0.015 0.000 1.039 557 K HN 0.377 nan 8.250 nan 0.000 0.480 558 I N 2.990 123.547 120.570 -0.021 0.000 2.845 558 I HA -0.205 3.965 4.170 0.001 0.000 0.296 558 I C 0.940 177.032 176.117 -0.042 0.000 1.216 558 I CA 0.850 62.130 61.300 -0.033 0.000 1.438 558 I CB 0.256 38.238 38.000 -0.029 0.000 1.342 558 I HN 0.345 nan 8.210 nan 0.000 0.577 559 Q N 6.478 126.243 119.800 -0.059 0.000 2.835 559 Q HA 0.184 4.525 4.340 0.001 0.000 0.235 559 Q C 0.869 176.820 176.000 -0.081 0.000 1.313 559 Q CA -0.179 55.586 55.803 -0.063 0.000 1.053 559 Q CB 0.517 29.218 28.738 -0.063 0.000 1.443 559 Q HN 0.460 nan 8.270 nan 0.000 0.576 560 R N 0.761 121.223 120.500 -0.062 0.000 2.081 560 R HA -0.172 4.168 4.340 0.001 0.000 0.235 560 R C 2.056 178.326 176.300 -0.050 0.000 1.131 560 R CA 1.489 57.555 56.100 -0.057 0.000 0.960 560 R CB -0.137 30.150 30.300 -0.023 0.000 0.856 560 R HN 0.550 nan 8.270 nan 0.000 0.436 561 A N 1.223 124.016 122.820 -0.045 0.000 1.908 561 A HA -0.244 4.076 4.320 0.001 0.000 0.218 561 A C 2.030 179.588 177.584 -0.044 0.000 1.181 561 A CA 1.654 53.665 52.037 -0.044 0.000 0.627 561 A CB -0.382 18.589 19.000 -0.048 0.000 0.818 561 A HN 0.239 nan 8.150 nan 0.000 0.445 562 K N -0.645 119.721 120.400 -0.057 0.000 2.097 562 K HA -0.024 4.296 4.320 0.001 0.000 0.205 562 K C 1.825 178.383 176.600 -0.069 0.000 1.050 562 K CA 1.105 57.358 56.287 -0.058 0.000 0.938 562 K CB -0.259 32.201 32.500 -0.067 0.000 0.718 562 K HN 0.448 nan 8.250 nan 0.000 0.442 563 L N 0.369 121.515 121.223 -0.127 0.000 2.027 563 L HA -0.115 4.226 4.340 0.001 0.000 0.206 563 L C 2.680 179.554 176.870 0.006 0.000 1.074 563 L CA 1.335 56.056 54.840 -0.198 0.000 0.745 563 L CB -0.329 41.426 42.059 -0.508 0.000 0.898 563 L HN 0.156 nan 8.230 nan 0.000 0.433 564 R N -0.096 120.440 120.500 0.059 0.000 2.152 564 R HA -0.178 4.162 4.340 0.001 0.000 0.232 564 R C 1.735 178.166 176.300 0.218 0.000 1.117 564 R CA 1.497 57.716 56.100 0.198 0.000 0.981 564 R CB -0.135 30.229 30.300 0.106 0.000 0.870 564 R HN 0.339 nan 8.270 nan 0.000 0.451 565 D N 0.457 120.912 120.400 0.093 0.000 2.081 565 D HA -0.193 4.448 4.640 0.001 0.000 0.194 565 D C 1.543 177.926 176.300 0.138 0.000 0.986 565 D CA 1.269 55.321 54.000 0.087 0.000 0.837 565 D CB -0.276 40.539 40.800 0.026 0.000 0.985 565 D HN 0.149 nan 8.370 nan 0.000 0.448 566 K N 0.399 120.855 120.400 0.093 0.000 2.173 566 K HA -0.254 4.066 4.320 0.001 0.000 0.207 566 K C 1.900 178.580 176.600 0.135 0.000 1.046 566 K CA 1.474 57.816 56.287 0.092 0.000 0.929 566 K CB 0.028 32.562 32.500 0.057 0.000 0.720 566 K HN -0.046 nan 8.250 nan 0.000 0.453 567 E N -0.366 119.954 120.200 0.200 0.000 2.072 567 E HA -0.149 4.201 4.350 0.001 0.000 0.191 567 E C -0.023 176.633 176.600 0.092 0.000 0.985 567 E CA 1.094 57.600 56.400 0.177 0.000 0.801 567 E CB -0.054 29.806 29.700 0.267 0.000 0.750 567 E HN 0.298 nan 8.360 nan 0.000 0.452 568 W N 2.635 123.955 121.300 0.033 0.000 1.809 568 W HA 0.369 5.029 4.660 0.000 0.000 0.399 568 W C -0.276 176.248 176.519 0.008 0.000 0.636 568 W CA -0.278 57.077 57.345 0.016 0.000 2.178 568 W CB -0.434 29.031 29.460 0.009 0.000 1.632 568 W HN -0.082 nan 8.180 nan 0.000 0.470 569 K N 0.000 120.481 120.400 0.134 0.000 2.780 569 K HA 0.000 4.320 4.320 0.001 0.000 0.191 569 K CA 0.000 56.338 56.287 0.084 0.000 0.838 569 K CB 0.000 32.546 32.500 0.077 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543