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 2vze_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 0.000 176.174 176.000 0.291 0.000 1.003 34 Q CA 0.000 55.937 55.803 0.223 0.000 1.022 34 Q CB 0.000 28.804 28.738 0.110 0.000 1.108 35 W N 0.584 121.873 121.300 -0.019 0.000 1.828 35 W HA -0.281 4.381 4.660 0.003 0.000 0.253 35 W C 1.089 177.574 176.519 -0.056 0.000 1.019 35 W CA 1.103 58.421 57.345 -0.046 0.000 0.447 35 W CB -1.259 28.161 29.460 -0.066 0.000 2.033 35 W HN 1.817 nan 8.180 nan 0.000 1.268 36 G N 0.311 109.149 108.800 0.064 0.000 3.674 36 G HA2 -0.021 3.940 3.960 0.001 0.000 0.537 36 G HA3 -0.021 3.940 3.960 0.001 0.000 0.537 36 G C 0.142 175.013 174.900 -0.047 0.000 0.871 36 G CA 2.572 47.678 45.100 0.009 0.000 0.835 36 G HN 1.098 nan 8.290 nan 0.000 1.312 37 H N -2.086 116.943 119.070 -0.069 0.000 2.693 37 H HA 0.879 5.435 4.556 0.001 0.000 0.348 37 H C 0.076 175.338 175.328 -0.109 0.000 1.222 37 H CA -0.104 55.900 56.048 -0.074 0.000 1.270 37 H CB 0.819 30.556 29.762 -0.042 0.000 1.798 37 H HN 0.706 nan 8.280 nan 0.000 0.592 38 Q N -0.108 119.636 119.800 -0.093 0.000 2.423 38 Q HA 0.316 4.656 4.340 0.001 0.000 0.278 38 Q C -1.214 174.749 176.000 -0.061 0.000 1.097 38 Q CA -0.687 55.058 55.803 -0.097 0.000 0.809 38 Q CB 2.808 31.478 28.738 -0.115 0.000 1.391 38 Q HN 0.817 nan 8.270 nan 0.000 0.428 39 E N 1.684 121.850 120.200 -0.056 0.000 2.079 39 E HA 0.278 4.628 4.350 0.001 0.000 0.252 39 E C -0.757 175.821 176.600 -0.036 0.000 0.992 39 E CA -0.280 56.097 56.400 -0.038 0.000 0.829 39 E CB 0.784 30.464 29.700 -0.033 0.000 1.158 39 E HN 0.312 nan 8.360 nan 0.000 0.435 40 V N -0.099 119.799 119.914 -0.027 0.000 3.074 40 V HA 0.635 4.756 4.120 0.001 0.000 0.314 40 V C -2.223 173.875 176.094 0.007 0.000 1.117 40 V CA -2.354 59.934 62.300 -0.019 0.000 1.014 40 V CB 1.105 32.914 31.823 -0.024 0.000 1.057 40 V HN 0.311 nan 8.190 nan 0.000 0.438 41 P HA 0.307 nan 4.420 nan 0.000 0.270 41 P C 0.782 178.116 177.300 0.057 0.000 1.223 41 P CA 0.217 63.347 63.100 0.051 0.000 0.785 41 P CB 0.951 32.705 31.700 0.090 0.000 0.923 42 A N 1.885 124.733 122.820 0.047 0.000 1.972 42 A HA -0.094 4.226 4.320 0.001 0.000 0.219 42 A C 0.898 178.520 177.584 0.064 0.000 1.169 42 A CA 1.339 53.402 52.037 0.043 0.000 0.635 42 A CB -0.373 18.643 19.000 0.026 0.000 0.810 42 A HN 0.593 nan 8.150 nan 0.000 0.446 43 K N -2.023 118.426 120.400 0.081 0.000 2.371 43 K HA 0.646 4.967 4.320 0.001 0.000 0.251 43 K C -1.826 174.887 176.600 0.187 0.000 0.934 43 K CA -0.422 55.917 56.287 0.087 0.000 0.798 43 K CB 2.223 34.737 32.500 0.023 0.000 1.204 43 K HN 0.200 nan 8.250 nan 0.000 0.427 44 F N 1.749 121.706 119.950 0.011 0.000 2.665 44 F HA 0.374 4.901 4.527 0.000 0.000 0.308 44 F C -1.741 174.087 175.800 0.046 0.000 1.112 44 F CA -0.600 57.430 58.000 0.051 0.000 0.972 44 F CB 1.917 40.984 39.000 0.111 0.000 1.295 44 F HN 0.467 nan 8.300 nan 0.000 0.440 45 N N 5.105 123.456 118.700 -0.582 0.000 2.578 45 N HA 0.092 4.833 4.740 0.001 0.000 0.282 45 N C -0.346 174.958 175.510 -0.342 0.000 1.119 45 N CA -0.348 52.570 53.050 -0.220 0.000 0.948 45 N CB 1.108 39.480 38.487 -0.191 0.000 1.546 45 N HN 0.704 nan 8.380 nan 0.000 0.525 46 F N 3.964 123.915 119.950 0.001 0.000 2.161 46 F HA -0.079 4.448 4.527 0.001 0.000 0.300 46 F C 2.074 177.918 175.800 0.074 0.000 1.089 46 F CA 2.206 60.271 58.000 0.108 0.000 1.282 46 F CB 0.171 39.385 39.000 0.356 0.000 1.010 46 F HN 0.695 nan 8.300 nan 0.000 0.485 47 A N -0.444 122.486 122.820 0.182 0.000 1.873 47 A HA -0.183 4.137 4.320 0.001 0.000 0.215 47 A C 2.349 179.904 177.584 -0.049 0.000 1.186 47 A CA 2.203 54.306 52.037 0.110 0.000 0.616 47 A CB -1.306 17.785 19.000 0.152 0.000 0.823 47 A HN 0.476 nan 8.150 nan 0.000 0.442 48 S N -0.795 114.848 115.700 -0.095 0.000 2.425 48 S HA -0.059 4.411 4.470 0.001 0.000 0.225 48 S C 1.201 175.683 174.600 -0.197 0.000 1.024 48 S CA 1.056 59.184 58.200 -0.120 0.000 0.951 48 S CB -0.236 62.902 63.200 -0.103 0.000 0.796 48 S HN 0.471 nan 8.310 nan 0.000 0.498 49 D N 0.748 120.955 120.400 -0.322 0.000 2.305 49 D HA 0.200 4.841 4.640 0.001 0.000 0.206 49 D C 1.715 177.806 176.300 -0.349 0.000 0.974 49 D CA 0.547 54.329 54.000 -0.363 0.000 0.871 49 D CB 0.560 41.007 40.800 -0.588 0.000 0.947 49 D HN 0.392 nan 8.370 nan 0.000 0.516 50 V N 0.145 119.800 119.914 -0.432 0.000 2.950 50 V HA 0.010 4.130 4.120 0.001 0.000 0.231 50 V C 1.993 177.910 176.094 -0.295 0.000 1.205 50 V CA 0.031 62.058 62.300 -0.455 0.000 1.239 50 V CB -0.043 31.294 31.823 -0.810 0.000 1.050 50 V HN 0.008 nan 8.190 nan 0.000 0.498 51 L N 0.821 121.882 121.223 -0.271 0.000 2.017 51 L HA -0.144 4.196 4.340 0.001 0.000 0.208 51 L C 1.914 178.801 176.870 0.028 0.000 1.073 51 L CA 2.245 57.097 54.840 0.020 0.000 0.745 51 L CB -0.665 41.446 42.059 0.085 0.000 0.894 51 L HN 0.317 nan 8.230 nan 0.000 0.432 52 D N -2.005 118.367 120.400 -0.048 0.000 2.269 52 D HA -0.174 4.466 4.640 0.001 0.000 0.208 52 D C 1.893 178.136 176.300 -0.095 0.000 0.963 52 D CA 1.097 55.070 54.000 -0.046 0.000 0.864 52 D CB -0.089 40.680 40.800 -0.051 0.000 0.936 52 D HN 0.590 nan 8.370 nan 0.000 0.505 53 H N -0.775 118.131 119.070 -0.273 0.000 2.319 53 H HA -0.163 4.393 4.556 0.000 0.000 0.299 53 H C 1.819 176.911 175.328 -0.394 0.000 1.092 53 H CA 1.969 57.773 56.048 -0.406 0.000 1.302 53 H CB -0.341 29.040 29.762 -0.634 0.000 1.373 53 H HN 0.187 nan 8.280 nan 0.000 0.497 54 W N 0.356 121.538 121.300 -0.198 0.000 2.388 54 W HA -0.030 4.631 4.660 0.000 0.000 0.294 54 W C 2.870 179.243 176.519 -0.242 0.000 1.212 54 W CA 0.746 57.875 57.345 -0.360 0.000 1.271 54 W CB -0.241 28.783 29.460 -0.727 0.000 1.126 54 W HN 0.337 nan 8.180 nan 0.000 0.535 55 A N 0.676 123.547 122.820 0.085 0.000 1.877 55 A HA -0.239 4.082 4.320 0.001 0.000 0.216 55 A C 1.625 179.202 177.584 -0.011 0.000 1.186 55 A CA 2.191 54.272 52.037 0.074 0.000 0.620 55 A CB -0.938 18.095 19.000 0.055 0.000 0.822 55 A HN 0.144 nan 8.150 nan 0.000 0.443 56 D N -0.431 119.914 120.400 -0.092 0.000 2.178 56 D HA -0.129 4.511 4.640 0.001 0.000 0.201 56 D C 1.971 178.189 176.300 -0.136 0.000 0.980 56 D CA 0.997 54.926 54.000 -0.118 0.000 0.842 56 D CB -0.315 40.391 40.800 -0.156 0.000 0.948 56 D HN 0.354 nan 8.370 nan 0.000 0.472 57 M N 0.401 119.884 119.600 -0.195 0.000 2.159 57 M HA -0.113 4.367 4.480 0.001 0.000 0.263 57 M C 1.912 178.192 176.300 -0.033 0.000 1.063 57 M CA 1.229 56.445 55.300 -0.141 0.000 1.110 57 M CB -0.540 31.991 32.600 -0.115 0.000 1.374 57 M HN 0.118 nan 8.290 nan 0.000 0.411 58 E N 0.349 120.553 120.200 0.006 0.000 2.028 58 E HA -0.152 4.198 4.350 0.001 0.000 0.190 58 E C 2.043 178.650 176.600 0.011 0.000 0.984 58 E CA 0.982 57.401 56.400 0.033 0.000 0.800 58 E CB -0.088 29.655 29.700 0.072 0.000 0.758 58 E HN 0.475 nan 8.360 nan 0.000 0.448 59 K N 0.655 121.055 120.400 0.000 0.000 2.089 59 K HA -0.161 4.159 4.320 0.001 0.000 0.210 59 K C 1.952 178.544 176.600 -0.014 0.000 1.048 59 K CA 1.423 57.706 56.287 -0.007 0.000 0.926 59 K CB -0.149 32.342 32.500 -0.015 0.000 0.714 59 K HN 0.053 nan 8.250 nan 0.000 0.448 60 A N -0.100 122.705 122.820 -0.025 0.000 2.251 60 A HA 0.220 4.541 4.320 0.001 0.000 0.209 60 A C 1.421 178.995 177.584 -0.016 0.000 1.187 60 A CA 0.788 52.810 52.037 -0.026 0.000 0.823 60 A CB -0.221 18.754 19.000 -0.042 0.000 0.846 60 A HN 0.445 nan 8.150 nan 0.000 0.486 61 G N -0.388 108.407 108.800 -0.008 0.000 2.179 61 G HA2 -0.306 3.654 3.960 0.001 0.000 0.260 61 G HA3 -0.306 3.654 3.960 0.001 0.000 0.260 61 G C 0.912 175.814 174.900 0.004 0.000 0.977 61 G CA 0.781 45.882 45.100 0.000 0.000 0.641 61 G HN 0.529 nan 8.290 nan 0.000 0.533 62 K N -0.553 119.846 120.400 -0.001 0.000 2.366 62 K HA 0.134 4.454 4.320 0.001 0.000 0.198 62 K C 1.217 177.835 176.600 0.030 0.000 1.044 62 K CA 0.712 57.003 56.287 0.006 0.000 0.973 62 K CB 0.276 32.768 32.500 -0.013 0.000 0.767 62 K HN 0.444 nan 8.250 nan 0.000 0.475 63 R N 0.660 121.181 120.500 0.036 0.000 2.626 63 R HA 0.243 4.583 4.340 0.001 0.000 0.274 63 R C -2.974 173.354 176.300 0.047 0.000 1.031 63 R CA -1.918 54.216 56.100 0.057 0.000 0.898 63 R CB 1.697 32.055 30.300 0.097 0.000 1.222 63 R HN -0.234 nan 8.270 nan 0.000 0.455 64 P HA 0.208 nan 4.420 nan 0.000 0.272 64 P C -2.611 174.720 177.300 0.052 0.000 1.230 64 P CA -1.455 61.667 63.100 0.037 0.000 0.788 64 P CB 0.103 31.820 31.700 0.028 0.000 0.949 65 P HA 0.038 nan 4.420 nan 0.000 0.256 65 P C -0.668 176.671 177.300 0.065 0.000 1.189 65 P CA 0.795 63.929 63.100 0.057 0.000 0.808 65 P CB -0.248 31.466 31.700 0.023 0.000 0.793 66 S N 5.801 121.582 115.700 0.136 0.000 2.509 66 S HA 0.522 4.993 4.470 0.001 0.000 0.297 66 S C -2.465 172.213 174.600 0.131 0.000 1.118 66 S CA -1.684 56.607 58.200 0.151 0.000 1.074 66 S CB 0.827 64.143 63.200 0.194 0.000 1.038 66 S HN 0.226 nan 8.310 nan 0.000 0.498 67 P HA 0.279 nan 4.420 nan 0.000 0.271 67 P C -0.172 177.033 177.300 -0.157 0.000 1.220 67 P CA -0.109 62.962 63.100 -0.048 0.000 0.768 67 P CB 0.769 32.468 31.700 -0.003 0.000 0.848 68 A N 3.729 126.288 122.820 -0.434 0.000 1.999 68 A HA 0.264 4.584 4.320 0.001 0.000 0.200 68 A C 0.126 177.763 177.584 0.089 0.000 1.363 68 A CA 0.796 52.373 52.037 -0.766 0.000 0.844 68 A CB -0.094 17.805 19.000 -1.836 0.000 0.954 68 A HN 0.478 nan 8.150 nan 0.000 0.481 69 L N -0.881 120.425 121.223 0.139 0.000 2.406 69 L HA 0.668 5.009 4.340 0.001 0.000 0.272 69 L C -2.144 174.910 176.870 0.306 0.000 0.980 69 L CA -0.765 54.254 54.840 0.299 0.000 0.831 69 L CB 1.774 44.053 42.059 0.366 0.000 1.253 69 L HN 0.337 nan 8.230 nan 0.000 0.406 70 W N 6.874 128.167 121.300 -0.013 0.000 2.499 70 W HA 0.437 5.097 4.660 0.000 0.000 0.320 70 W C -2.037 174.259 176.519 -0.372 0.000 1.010 70 W CA -1.729 55.544 57.345 -0.119 0.000 1.267 70 W CB 1.304 30.738 29.460 -0.043 0.000 1.316 70 W HN 0.687 nan 8.180 nan 0.000 0.431 71 W N 8.419 129.686 121.300 -0.055 0.000 2.632 71 W HA 0.616 5.276 4.660 0.000 0.000 0.328 71 W C -1.169 175.138 176.519 -0.353 0.000 1.044 71 W CA -0.838 56.289 57.345 -0.365 0.000 1.225 71 W CB 1.395 30.773 29.460 -0.137 0.000 1.396 71 W HN 0.306 nan 8.180 nan 0.000 0.499 72 V N 4.364 123.385 119.914 -1.488 0.000 2.876 72 V HA 0.521 4.641 4.120 0.001 0.000 0.312 72 V C -0.121 174.793 176.094 -1.966 0.000 1.085 72 V CA -0.644 60.784 62.300 -1.453 0.000 0.945 72 V CB 2.048 33.240 31.823 -1.051 0.000 1.017 72 V HN 0.811 nan 8.190 nan 0.000 0.428 73 N N 1.796 119.619 118.700 -1.461 0.000 2.254 73 N HA 0.294 5.035 4.740 0.001 0.000 0.190 73 N C 1.240 176.437 175.510 -0.523 0.000 1.107 73 N CA 0.943 53.456 53.050 -0.895 0.000 0.869 73 N CB 0.944 39.197 38.487 -0.390 0.000 0.983 73 N HN 2.031 nan 8.380 nan 0.000 0.487 74 G N 0.397 108.873 108.800 -0.540 0.000 2.176 74 G HA2 -0.294 3.667 3.960 0.001 0.000 0.253 74 G HA3 -0.294 3.667 3.960 0.001 0.000 0.253 74 G C 0.449 175.311 174.900 -0.064 0.000 0.979 74 G CA 0.449 45.430 45.100 -0.199 0.000 0.641 74 G HN 0.473 nan 8.290 nan 0.000 0.530 75 K N -0.274 120.076 120.400 -0.083 0.000 2.537 75 K HA 0.482 4.803 4.320 0.001 0.000 0.206 75 K C 1.495 178.082 176.600 -0.021 0.000 1.041 75 K CA 0.322 56.594 56.287 -0.024 0.000 1.090 75 K CB 0.874 33.374 32.500 0.001 0.000 0.833 75 K HN 1.174 nan 8.250 nan 0.000 0.493 76 G N 1.816 110.591 108.800 -0.041 0.000 2.184 76 G HA2 -0.252 3.709 3.960 0.001 0.000 0.206 76 G HA3 -0.252 3.709 3.960 0.001 0.000 0.206 76 G C -0.151 174.743 174.900 -0.010 0.000 0.995 76 G CA -0.316 44.776 45.100 -0.014 0.000 0.651 76 G HN 0.209 nan 8.290 nan 0.000 0.511 77 K N 1.372 121.749 120.400 -0.039 0.000 2.213 77 K HA 0.656 4.976 4.320 0.001 0.000 0.270 77 K C -0.136 176.442 176.600 -0.037 0.000 1.002 77 K CA -0.373 55.927 56.287 0.022 0.000 0.868 77 K CB 0.655 33.222 32.500 0.113 0.000 1.093 77 K HN 0.352 nan 8.250 nan 0.000 0.454 78 E N 3.819 124.066 120.200 0.079 0.000 2.367 78 E HA 0.469 4.819 4.350 0.001 0.000 0.273 78 E C -1.156 175.538 176.600 0.157 0.000 0.903 78 E CA -0.949 55.521 56.400 0.117 0.000 0.764 78 E CB 2.014 31.815 29.700 0.168 0.000 1.252 78 E HN 0.340 nan 8.360 nan 0.000 0.446 79 L N 1.959 123.295 121.223 0.188 0.000 2.422 79 L HA 0.631 4.971 4.340 0.001 0.000 0.264 79 L C -0.950 175.707 176.870 -0.356 0.000 0.984 79 L CA -0.813 53.913 54.840 -0.189 0.000 0.819 79 L CB 2.273 44.227 42.059 -0.174 0.000 1.330 79 L HN 0.418 nan 8.230 nan 0.000 0.410 80 M N 2.691 121.835 119.600 -0.759 0.000 2.322 80 M HA 0.409 4.889 4.480 0.001 0.000 0.286 80 M C -2.330 173.552 176.300 -0.697 0.000 1.111 80 M CA -0.215 54.748 55.300 -0.561 0.000 0.941 80 M CB 2.772 35.035 32.600 -0.562 0.000 1.671 80 M HN 0.553 nan 8.290 nan 0.000 0.470 81 W N 3.992 125.221 121.300 -0.118 0.000 2.587 81 W HA 0.300 4.961 4.660 0.001 0.000 0.324 81 W C 0.046 176.436 176.519 -0.216 0.000 1.040 81 W CA -0.628 56.631 57.345 -0.143 0.000 1.222 81 W CB 1.740 31.122 29.460 -0.128 0.000 1.381 81 W HN 0.693 nan 8.180 nan 0.000 0.483 82 N N 0.269 118.974 118.700 0.009 0.000 2.327 82 N HA 0.164 4.904 4.740 0.001 0.000 0.257 82 N C 0.401 175.849 175.510 -0.104 0.000 1.281 82 N CA -0.290 52.722 53.050 -0.064 0.000 0.942 82 N CB 0.237 38.732 38.487 0.013 0.000 1.199 82 N HN 0.193 nan 8.380 nan 0.000 0.532 83 F N -1.235 118.701 119.950 -0.023 0.000 2.293 83 F HA 0.099 4.627 4.527 0.000 0.000 0.300 83 F C 2.590 178.363 175.800 -0.045 0.000 1.086 83 F CA 0.883 58.840 58.000 -0.072 0.000 1.375 83 F CB -0.207 38.776 39.000 -0.027 0.000 1.045 83 F HN 0.529 nan 8.300 nan 0.000 0.516 84 R N 0.778 121.369 120.500 0.150 0.000 2.066 84 R HA -0.159 4.181 4.340 0.001 0.000 0.232 84 R C 1.993 178.323 176.300 0.051 0.000 1.131 84 R CA 1.834 57.983 56.100 0.082 0.000 0.955 84 R CB -0.269 30.071 30.300 0.066 0.000 0.851 84 R HN 0.270 nan 8.270 nan 0.000 0.432 85 E N 0.283 120.526 120.200 0.072 0.000 2.110 85 E HA -0.208 4.142 4.350 0.001 0.000 0.193 85 E C 1.926 178.543 176.600 0.028 0.000 0.988 85 E CA 1.161 57.634 56.400 0.121 0.000 0.804 85 E CB -0.078 29.794 29.700 0.286 0.000 0.745 85 E HN 0.207 nan 8.360 nan 0.000 0.458 86 L N 0.552 121.743 121.223 -0.054 0.000 2.056 86 L HA -0.152 4.188 4.340 0.001 0.000 0.207 86 L C 2.348 179.129 176.870 -0.149 0.000 1.078 86 L CA 1.787 56.498 54.840 -0.215 0.000 0.749 86 L CB -0.592 41.244 42.059 -0.371 0.000 0.901 86 L HN -0.003 nan 8.230 nan 0.000 0.433 87 S N -0.725 114.934 115.700 -0.069 0.000 2.348 87 S HA -0.237 4.234 4.470 0.001 0.000 0.221 87 S C 1.911 176.489 174.600 -0.035 0.000 1.033 87 S CA 1.654 59.834 58.200 -0.033 0.000 1.010 87 S CB -0.385 62.817 63.200 0.004 0.000 0.891 87 S HN 0.621 nan 8.310 nan 0.000 0.442 88 E N 0.667 120.851 120.200 -0.026 0.000 2.058 88 E HA -0.165 4.186 4.350 0.001 0.000 0.194 88 E C 2.139 178.712 176.600 -0.046 0.000 0.997 88 E CA 1.342 57.728 56.400 -0.024 0.000 0.801 88 E CB -0.239 29.458 29.700 -0.004 0.000 0.746 88 E HN 0.450 nan 8.360 nan 0.000 0.450 89 N N 0.136 118.790 118.700 -0.077 0.000 2.244 89 N HA -0.113 4.627 4.740 0.001 0.000 0.183 89 N C 1.768 177.210 175.510 -0.113 0.000 1.016 89 N CA 1.408 54.388 53.050 -0.117 0.000 0.866 89 N CB -0.029 38.314 38.487 -0.239 0.000 0.980 89 N HN 0.124 nan 8.380 nan 0.000 0.430 90 S N -0.707 114.930 115.700 -0.104 0.000 2.436 90 S HA -0.013 4.457 4.470 0.001 0.000 0.228 90 S C 1.794 176.356 174.600 -0.063 0.000 1.014 90 S CA 0.417 58.577 58.200 -0.066 0.000 0.950 90 S CB -0.214 62.961 63.200 -0.040 0.000 0.784 90 S HN 0.301 nan 8.310 nan 0.000 0.504 91 Q N 0.948 120.718 119.800 -0.050 0.000 2.119 91 Q HA -0.079 4.262 4.340 0.001 0.000 0.201 91 Q C 2.493 178.456 176.000 -0.062 0.000 0.972 91 Q CA 1.524 57.306 55.803 -0.035 0.000 0.847 91 Q CB -0.248 28.494 28.738 0.008 0.000 0.903 91 Q HN 0.701 nan 8.270 nan 0.000 0.433 92 Q N -0.018 119.742 119.800 -0.066 0.000 2.135 92 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 92 Q C 2.108 178.038 176.000 -0.117 0.000 0.981 92 Q CA 1.298 57.049 55.803 -0.086 0.000 0.856 92 Q CB -0.196 28.486 28.738 -0.093 0.000 0.902 92 Q HN 0.370 nan 8.270 nan 0.000 0.425 93 A N 1.205 123.971 122.820 -0.091 0.000 1.877 93 A HA -0.153 4.167 4.320 0.001 0.000 0.216 93 A C 2.337 179.875 177.584 -0.076 0.000 1.186 93 A CA 1.655 53.672 52.037 -0.034 0.000 0.620 93 A CB -0.899 18.143 19.000 0.070 0.000 0.822 93 A HN 0.410 nan 8.150 nan 0.000 0.443 94 A N 0.139 122.853 122.820 -0.177 0.000 1.940 94 A HA -0.228 4.092 4.320 0.001 0.000 0.219 94 A C 1.942 179.356 177.584 -0.283 0.000 1.176 94 A CA 1.921 53.741 52.037 -0.361 0.000 0.631 94 A CB -0.652 17.831 19.000 -0.861 0.000 0.814 94 A HN 0.558 nan 8.150 nan 0.000 0.446 95 N N 0.035 118.636 118.700 -0.165 0.000 2.188 95 N HA -0.098 4.642 4.740 0.001 0.000 0.184 95 N C 1.726 177.214 175.510 -0.037 0.000 1.018 95 N CA 1.511 54.545 53.050 -0.027 0.000 0.858 95 N CB -0.492 38.000 38.487 0.007 0.000 0.989 95 N HN 0.279 nan 8.380 nan 0.000 0.426 96 V N 1.689 121.556 119.914 -0.078 0.000 2.295 96 V HA -0.182 3.938 4.120 0.001 0.000 0.246 96 V C 2.394 178.481 176.094 -0.012 0.000 1.049 96 V CA 1.286 63.539 62.300 -0.078 0.000 1.024 96 V CB -0.507 31.205 31.823 -0.185 0.000 0.648 96 V HN 0.208 nan 8.190 nan 0.000 0.447 97 L N 0.596 121.822 121.223 0.005 0.000 2.044 97 L HA -0.103 4.237 4.340 0.001 0.000 0.205 97 L C 2.587 179.474 176.870 0.028 0.000 1.075 97 L CA 1.933 56.794 54.840 0.034 0.000 0.747 97 L CB -0.572 41.508 42.059 0.034 0.000 0.903 97 L HN 0.536 nan 8.230 nan 0.000 0.435 98 S N -1.241 114.472 115.700 0.022 0.000 2.503 98 S HA 0.079 4.549 4.470 0.001 0.000 0.217 98 S C 1.596 176.231 174.600 0.058 0.000 0.999 98 S CA 0.365 58.599 58.200 0.056 0.000 0.914 98 S CB 0.309 63.573 63.200 0.106 0.000 0.782 98 S HN 0.359 nan 8.310 nan 0.000 0.520 99 G N 1.198 110.025 108.800 0.044 0.000 2.760 99 G HA2 0.454 4.414 3.960 0.001 0.000 0.214 99 G HA3 0.454 4.414 3.960 0.001 0.000 0.214 99 G C 1.617 176.529 174.900 0.020 0.000 1.212 99 G CA 0.315 45.438 45.100 0.038 0.000 0.858 99 G HN 0.595 nan 8.290 nan 0.000 0.611 100 A N 0.169 122.993 122.820 0.007 0.000 1.865 100 A HA -0.106 4.214 4.320 0.001 0.000 0.217 100 A C 2.356 179.946 177.584 0.010 0.000 1.191 100 A CA 2.121 54.159 52.037 0.001 0.000 0.623 100 A CB -1.018 17.972 19.000 -0.016 0.000 0.826 100 A HN 0.458 nan 8.150 nan 0.000 0.444 101 C N -1.358 117.952 119.300 0.017 0.000 2.618 101 C HA 0.449 4.909 4.460 0.001 0.000 0.264 101 C C 1.939 176.942 174.990 0.021 0.000 1.334 101 C CA -0.151 58.880 59.018 0.023 0.000 1.731 101 C CB -1.067 26.695 27.740 0.036 0.000 1.852 101 C HN 1.109 nan 8.230 nan 0.000 0.566 102 G N 1.386 110.201 108.800 0.025 0.000 2.258 102 G HA2 -0.278 3.683 3.960 0.001 0.000 0.274 102 G HA3 -0.278 3.683 3.960 0.001 0.000 0.274 102 G C -0.021 174.897 174.900 0.030 0.000 1.021 102 G CA 0.010 45.126 45.100 0.027 0.000 0.798 102 G HN 0.598 nan 8.290 nan 0.000 0.507 103 L N 0.053 121.298 121.223 0.035 0.000 2.416 103 L HA 0.325 4.665 4.340 0.001 0.000 0.272 103 L C 0.704 177.603 176.870 0.048 0.000 1.161 103 L CA -0.258 54.605 54.840 0.038 0.000 0.845 103 L CB 0.705 42.789 42.059 0.042 0.000 1.119 103 L HN 0.167 nan 8.230 nan 0.000 0.464 104 Q N 2.747 122.574 119.800 0.045 0.000 2.257 104 Q HA 0.318 4.659 4.340 0.001 0.000 0.262 104 Q C -0.422 175.614 176.000 0.059 0.000 0.997 104 Q CA -0.971 54.862 55.803 0.050 0.000 0.873 104 Q CB 1.610 30.370 28.738 0.037 0.000 1.312 104 Q HN 0.415 nan 8.270 nan 0.000 0.450 105 R N -0.057 120.483 120.500 0.067 0.000 2.474 105 R HA -0.018 4.323 4.340 0.001 0.000 0.290 105 R C 0.845 177.187 176.300 0.071 0.000 0.918 105 R CA 1.788 57.935 56.100 0.079 0.000 1.130 105 R CB -0.362 29.978 30.300 0.066 0.000 0.881 105 R HN 0.945 nan 8.270 nan 0.000 0.416 106 G N 2.860 111.712 108.800 0.087 0.000 2.217 106 G HA2 -0.251 3.709 3.960 0.001 0.000 0.246 106 G HA3 -0.251 3.709 3.960 0.001 0.000 0.246 106 G C -0.342 174.585 174.900 0.045 0.000 0.990 106 G CA 0.225 45.364 45.100 0.066 0.000 0.627 106 G HN 0.683 nan 8.290 nan 0.000 0.522 107 D N 0.854 121.282 120.400 0.047 0.000 2.382 107 D HA 0.489 5.129 4.640 0.001 0.000 0.245 107 D C 0.969 177.289 176.300 0.034 0.000 1.120 107 D CA 0.132 54.153 54.000 0.035 0.000 0.890 107 D CB 0.512 41.333 40.800 0.036 0.000 1.201 107 D HN 0.395 nan 8.370 nan 0.000 0.433 108 R N 0.744 121.258 120.500 0.023 0.000 2.312 108 R HA 0.521 4.861 4.340 0.001 0.000 0.311 108 R C -0.860 175.459 176.300 0.032 0.000 1.004 108 R CA -0.733 55.378 56.100 0.020 0.000 0.902 108 R CB 1.368 31.676 30.300 0.013 0.000 1.073 108 R HN 0.114 nan 8.270 nan 0.000 0.457 109 V N 2.950 122.887 119.914 0.039 0.000 2.349 109 V HA 0.360 4.480 4.120 0.001 0.000 0.284 109 V C 0.093 176.218 176.094 0.053 0.000 1.014 109 V CA -0.981 61.347 62.300 0.046 0.000 0.826 109 V CB 1.454 33.307 31.823 0.051 0.000 1.009 109 V HN 0.937 nan 8.190 nan 0.000 0.431 110 A N 4.912 127.767 122.820 0.058 0.000 2.477 110 A HA 0.618 4.938 4.320 0.001 0.000 0.246 110 A C -0.227 177.392 177.584 0.059 0.000 1.078 110 A CA -0.052 52.028 52.037 0.071 0.000 0.770 110 A CB 0.488 19.533 19.000 0.074 0.000 1.011 110 A HN 0.755 nan 8.150 nan 0.000 0.494 111 V N 3.424 123.377 119.914 0.065 0.000 2.443 111 V HA 0.413 4.533 4.120 0.001 0.000 0.293 111 V C -0.566 175.607 176.094 0.132 0.000 1.021 111 V CA -0.336 61.989 62.300 0.043 0.000 0.848 111 V CB 1.570 33.342 31.823 -0.084 0.000 0.998 111 V HN 0.634 nan 8.190 nan 0.000 0.424 112 V N 6.965 126.953 119.914 0.124 0.000 2.383 112 V HA 0.494 4.615 4.120 0.001 0.000 0.264 112 V C -0.402 175.765 176.094 0.123 0.000 1.001 112 V CA -0.126 62.255 62.300 0.136 0.000 0.828 112 V CB 0.867 32.753 31.823 0.105 0.000 1.069 112 V HN 0.645 nan 8.190 nan 0.000 0.451 113 L N 4.743 126.076 121.223 0.184 0.000 2.350 113 L HA 0.689 5.029 4.340 0.001 0.000 0.260 113 L C -2.307 174.643 176.870 0.132 0.000 1.015 113 L CA -1.908 53.029 54.840 0.161 0.000 0.821 113 L CB 3.652 45.850 42.059 0.231 0.000 1.370 113 L HN 0.265 nan 8.230 nan 0.000 0.416 114 P HA 0.145 nan 4.420 nan 0.000 0.289 114 P C -0.843 176.555 177.300 0.163 0.000 1.299 114 P CA -0.578 62.595 63.100 0.122 0.000 0.766 114 P CB 0.516 32.298 31.700 0.137 0.000 1.226 115 R N 0.088 120.722 120.500 0.224 0.000 3.688 115 R HA 0.227 4.567 4.340 0.001 0.000 0.194 115 R C 0.047 176.661 176.300 0.523 0.000 1.677 115 R CA -0.167 56.156 56.100 0.373 0.000 1.351 115 R CB -1.010 29.508 30.300 0.363 0.000 1.338 115 R HN 0.295 nan 8.270 nan 0.000 0.731 116 V N -1.449 118.706 119.914 0.402 0.000 2.960 116 V HA 0.456 4.576 4.120 0.001 0.000 0.315 116 V C -2.217 173.924 176.094 0.077 0.000 1.087 116 V CA -2.507 59.837 62.300 0.073 0.000 0.982 116 V CB 2.191 34.001 31.823 -0.022 0.000 1.039 116 V HN 0.148 nan 8.190 nan 0.000 0.437 117 P HA -0.075 nan 4.420 nan 0.000 0.218 117 P C 1.208 178.571 177.300 0.105 0.000 1.148 117 P CA 1.320 64.359 63.100 -0.103 0.000 0.822 117 P CB 0.227 31.771 31.700 -0.261 0.000 0.784 118 E N -1.780 118.427 120.200 0.011 0.000 2.209 118 E HA -0.203 4.147 4.350 0.001 0.000 0.196 118 E C 1.629 178.230 176.600 0.001 0.000 0.993 118 E CA 0.924 57.304 56.400 -0.034 0.000 0.819 118 E CB -0.940 28.665 29.700 -0.159 0.000 0.745 118 E HN 0.370 nan 8.360 nan 0.000 0.477 119 W N 0.042 121.344 121.300 0.002 0.000 2.335 119 W HA -0.177 4.483 4.660 0.000 0.000 0.311 119 W C 1.639 178.063 176.519 -0.158 0.000 1.213 119 W CA 1.539 58.810 57.345 -0.122 0.000 1.274 119 W CB -0.251 29.084 29.460 -0.208 0.000 1.148 119 W HN 0.109 nan 8.180 nan 0.000 0.498 120 W N -0.133 121.305 121.300 0.230 0.000 2.358 120 W HA -0.168 4.492 4.660 0.001 0.000 0.303 120 W C 2.115 178.611 176.519 -0.038 0.000 1.208 120 W CA 1.002 58.443 57.345 0.159 0.000 1.274 120 W CB -1.103 28.540 29.460 0.305 0.000 1.138 120 W HN -0.052 nan 8.180 nan 0.000 0.515 121 L N -0.420 120.883 121.223 0.133 0.000 2.046 121 L HA -0.221 4.119 4.340 0.001 0.000 0.208 121 L C 2.252 179.086 176.870 -0.061 0.000 1.077 121 L CA 0.893 55.741 54.840 0.014 0.000 0.747 121 L CB -1.181 40.874 42.059 -0.006 0.000 0.896 121 L HN -0.205 nan 8.230 nan 0.000 0.432 122 V N -0.194 119.607 119.914 -0.187 0.000 2.358 122 V HA -0.256 3.864 4.120 0.001 0.000 0.246 122 V C 2.438 178.312 176.094 -0.367 0.000 1.047 122 V CA 1.226 63.371 62.300 -0.259 0.000 1.035 122 V CB -0.287 31.294 31.823 -0.402 0.000 0.658 122 V HN 0.249 nan 8.190 nan 0.000 0.452 123 I N -0.139 120.038 120.570 -0.656 0.000 2.163 123 I HA -0.238 3.932 4.170 0.001 0.000 0.243 123 I C 2.403 178.235 176.117 -0.476 0.000 1.085 123 I CA 1.785 62.553 61.300 -0.886 0.000 1.347 123 I CB -1.207 35.946 38.000 -1.413 0.000 1.044 123 I HN 0.267 nan 8.210 nan 0.000 0.408 124 L N 0.403 121.492 121.223 -0.224 0.000 2.079 124 L HA -0.158 4.182 4.340 0.001 0.000 0.210 124 L C 2.656 179.514 176.870 -0.020 0.000 1.081 124 L CA 1.520 56.354 54.840 -0.011 0.000 0.752 124 L CB -1.108 41.012 42.059 0.102 0.000 0.896 124 L HN 0.311 nan 8.230 nan 0.000 0.433 125 G N -0.891 107.868 108.800 -0.068 0.000 2.418 125 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 125 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 125 G C 1.638 176.510 174.900 -0.048 0.000 1.158 125 G CA 0.939 45.996 45.100 -0.072 0.000 0.771 125 G HN 0.395 nan 8.290 nan 0.000 0.545 126 C N 0.279 119.561 119.300 -0.030 0.000 2.413 126 C HA -0.001 4.459 4.460 0.001 0.000 0.276 126 C C 2.846 177.947 174.990 0.184 0.000 1.236 126 C CA 0.625 59.688 59.018 0.074 0.000 1.735 126 C CB -1.024 26.787 27.740 0.118 0.000 2.031 126 C HN 0.484 nan 8.230 nan 0.000 0.474 127 I N 0.407 121.100 120.570 0.204 0.000 2.208 127 I HA -0.246 3.924 4.170 0.001 0.000 0.245 127 I C 2.781 179.065 176.117 0.278 0.000 1.097 127 I CA 1.620 63.144 61.300 0.374 0.000 1.363 127 I CB -0.435 37.780 38.000 0.358 0.000 1.051 127 I HN 0.348 nan 8.210 nan 0.000 0.413 128 R N 0.506 121.100 120.500 0.156 0.000 2.081 128 R HA -0.084 4.256 4.340 0.001 0.000 0.235 128 R C 2.150 178.570 176.300 0.200 0.000 1.131 128 R CA 1.500 57.687 56.100 0.144 0.000 0.960 128 R CB -0.405 29.931 30.300 0.060 0.000 0.856 128 R HN 0.341 nan 8.270 nan 0.000 0.436 129 A N 0.001 122.887 122.820 0.110 0.000 2.251 129 A HA 0.228 4.549 4.320 0.001 0.000 0.209 129 A C 1.285 178.965 177.584 0.161 0.000 1.187 129 A CA 0.636 52.756 52.037 0.139 0.000 0.823 129 A CB -0.049 18.965 19.000 0.023 0.000 0.846 129 A HN 0.459 nan 8.150 nan 0.000 0.486 130 G N -0.820 108.095 108.800 0.191 0.000 2.176 130 G HA2 -0.213 3.747 3.960 0.001 0.000 0.252 130 G HA3 -0.213 3.747 3.960 0.001 0.000 0.252 130 G C -0.049 174.998 174.900 0.244 0.000 1.024 130 G CA 0.428 45.664 45.100 0.228 0.000 0.755 130 G HN 0.479 nan 8.290 nan 0.000 0.507 131 L N 0.043 121.399 121.223 0.221 0.000 2.325 131 L HA 0.585 4.926 4.340 0.001 0.000 0.279 131 L C 1.000 177.968 176.870 0.163 0.000 1.054 131 L CA -1.152 53.783 54.840 0.159 0.000 0.804 131 L CB 1.424 43.553 42.059 0.116 0.000 1.200 131 L HN 0.014 nan 8.230 nan 0.000 0.436 132 I N 3.339 123.952 120.570 0.072 0.000 2.308 132 I HA 0.128 4.299 4.170 0.001 0.000 0.293 132 I C -0.140 175.951 176.117 -0.043 0.000 1.078 132 I CA -0.329 60.941 61.300 -0.050 0.000 1.292 132 I CB 0.018 37.966 38.000 -0.086 0.000 1.423 132 I HN 0.369 nan 8.210 nan 0.000 0.493 133 F N 5.827 125.718 119.950 -0.097 0.000 2.384 133 F HA 0.680 5.207 4.527 0.001 0.000 0.338 133 F C -0.159 175.534 175.800 -0.179 0.000 1.103 133 F CA -1.008 56.906 58.000 -0.143 0.000 1.157 133 F CB 0.580 39.454 39.000 -0.209 0.000 1.167 133 F HN 0.245 nan 8.300 nan 0.000 0.529 134 M N 4.448 124.039 119.600 -0.015 0.000 1.986 134 M HA 0.336 4.816 4.480 0.001 0.000 0.247 134 M C -2.869 173.444 176.300 0.023 0.000 0.851 134 M CA -1.560 53.694 55.300 -0.076 0.000 0.785 134 M CB 1.196 33.832 32.600 0.060 0.000 1.554 134 M HN 0.312 nan 8.290 nan 0.000 0.361 135 P HA 0.379 nan 4.420 nan 0.000 0.271 135 P C 0.014 177.439 177.300 0.208 0.000 1.216 135 P CA 0.045 63.251 63.100 0.176 0.000 0.776 135 P CB 1.083 32.992 31.700 0.348 0.000 0.881 136 G N 0.154 109.090 108.800 0.226 0.000 2.690 136 G HA2 0.482 4.442 3.960 0.001 0.000 0.291 136 G HA3 0.482 4.442 3.960 0.001 0.000 0.291 136 G C -1.177 173.832 174.900 0.182 0.000 1.403 136 G CA -0.466 44.754 45.100 0.200 0.000 0.864 136 G HN 0.446 nan 8.290 nan 0.000 0.480 137 T N -0.081 114.576 114.554 0.171 0.000 2.918 137 T HA 0.221 4.571 4.350 0.001 0.000 0.302 137 T C 2.032 176.798 174.700 0.109 0.000 1.045 137 T CA -0.091 62.095 62.100 0.144 0.000 1.114 137 T CB 0.193 69.165 68.868 0.173 0.000 0.965 137 T HN 0.536 nan 8.240 nan 0.000 0.540 138 I N 2.186 122.810 120.570 0.090 0.000 2.916 138 I HA -0.050 4.120 4.170 0.001 0.000 0.267 138 I C 2.043 178.189 176.117 0.048 0.000 1.263 138 I CA 0.778 62.118 61.300 0.067 0.000 1.471 138 I CB -0.416 37.620 38.000 0.061 0.000 1.089 138 I HN 0.559 nan 8.210 nan 0.000 0.468 139 Q N 1.047 120.880 119.800 0.055 0.000 2.444 139 Q HA 0.218 4.558 4.340 0.001 0.000 0.206 139 Q C 0.771 176.768 176.000 -0.005 0.000 0.948 139 Q CA 0.165 55.980 55.803 0.021 0.000 0.946 139 Q CB 0.074 28.825 28.738 0.021 0.000 1.027 139 Q HN 0.572 nan 8.270 nan 0.000 0.513 140 M N 1.633 121.243 119.600 0.016 0.000 2.245 140 M HA -0.050 4.431 4.480 0.001 0.000 0.335 140 M C 0.414 176.699 176.300 -0.025 0.000 1.155 140 M CA 0.991 56.285 55.300 -0.010 0.000 1.055 140 M CB 0.329 32.938 32.600 0.014 0.000 1.670 140 M HN -0.226 nan 8.290 nan 0.000 0.447 141 K N 0.825 121.195 120.400 -0.049 0.000 2.245 141 K HA 0.325 4.646 4.320 0.001 0.000 0.234 141 K C 1.088 177.673 176.600 -0.025 0.000 1.021 141 K CA -0.179 56.082 56.287 -0.043 0.000 0.898 141 K CB 1.024 33.480 32.500 -0.073 0.000 1.163 141 K HN 0.745 nan 8.250 nan 0.000 0.459 142 S N -0.369 115.324 115.700 -0.012 0.000 2.370 142 S HA -0.159 4.311 4.470 0.001 0.000 0.226 142 S C 1.646 176.249 174.600 0.006 0.000 1.033 142 S CA 2.090 60.294 58.200 0.007 0.000 1.011 142 S CB -0.585 62.625 63.200 0.016 0.000 0.852 142 S HN 0.571 nan 8.310 nan 0.000 0.457 143 T N 2.508 117.057 114.554 -0.007 0.000 2.720 143 T HA -0.102 4.248 4.350 0.001 0.000 0.268 143 T C 1.383 176.085 174.700 0.004 0.000 1.037 143 T CA 1.632 63.732 62.100 0.001 0.000 1.144 143 T CB -0.671 68.184 68.868 -0.023 0.000 0.864 143 T HN 0.504 nan 8.240 nan 0.000 0.444 144 D N 1.000 121.381 120.400 -0.031 0.000 2.144 144 D HA -0.008 4.632 4.640 0.001 0.000 0.199 144 D C 2.067 178.356 176.300 -0.019 0.000 0.984 144 D CA 0.797 54.770 54.000 -0.046 0.000 0.834 144 D CB -0.332 40.426 40.800 -0.070 0.000 0.955 144 D HN 0.388 nan 8.370 nan 0.000 0.465 145 I N 0.339 120.903 120.570 -0.010 0.000 2.233 145 I HA -0.195 3.975 4.170 0.001 0.000 0.243 145 I C 2.352 178.471 176.117 0.004 0.000 1.093 145 I CA 0.290 61.585 61.300 -0.008 0.000 1.380 145 I CB -0.145 37.867 38.000 0.020 0.000 1.067 145 I HN -0.045 nan 8.210 nan 0.000 0.413 146 L N 0.526 121.766 121.223 0.028 0.000 1.990 146 L HA -0.313 4.027 4.340 0.001 0.000 0.213 146 L C 2.533 179.430 176.870 0.044 0.000 1.072 146 L CA 2.085 56.946 54.840 0.035 0.000 0.755 146 L CB -1.041 41.045 42.059 0.045 0.000 0.889 146 L HN 0.287 nan 8.230 nan 0.000 0.432 147 Y N 0.125 120.392 120.300 -0.055 0.000 2.128 147 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 147 Y C 2.699 178.553 175.900 -0.076 0.000 1.154 147 Y CA 2.065 60.137 58.100 -0.047 0.000 1.149 147 Y CB -0.153 38.275 38.460 -0.053 0.000 0.976 147 Y HN 0.156 nan 8.280 nan 0.000 0.505 148 R N -0.095 120.339 120.500 -0.110 0.000 2.073 148 R HA -0.147 4.193 4.340 0.001 0.000 0.234 148 R C 2.298 178.551 176.300 -0.079 0.000 1.134 148 R CA 1.848 57.710 56.100 -0.396 0.000 0.952 148 R CB -0.622 29.305 30.300 -0.621 0.000 0.850 148 R HN 0.398 nan 8.270 nan 0.000 0.433 149 L N 0.646 121.839 121.223 -0.051 0.000 2.056 149 L HA -0.195 4.145 4.340 0.001 0.000 0.207 149 L C 2.606 179.469 176.870 -0.012 0.000 1.078 149 L CA 1.408 56.246 54.840 -0.004 0.000 0.749 149 L CB -0.433 41.623 42.059 -0.004 0.000 0.901 149 L HN 0.267 nan 8.230 nan 0.000 0.433 150 Q N -0.798 118.974 119.800 -0.046 0.000 2.083 150 Q HA -0.142 4.198 4.340 0.001 0.000 0.198 150 Q C 2.370 178.324 176.000 -0.077 0.000 0.969 150 Q CA 1.182 56.951 55.803 -0.057 0.000 0.838 150 Q CB 0.004 28.705 28.738 -0.061 0.000 0.900 150 Q HN 0.471 nan 8.270 nan 0.000 0.436 151 M N 0.208 119.726 119.600 -0.137 0.000 2.200 151 M HA -0.095 4.386 4.480 0.001 0.000 0.265 151 M C 2.357 178.655 176.300 -0.002 0.000 1.066 151 M CA 1.375 56.602 55.300 -0.123 0.000 1.127 151 M CB -0.572 31.871 32.600 -0.262 0.000 1.379 151 M HN 0.181 nan 8.290 nan 0.000 0.420 152 S N -0.378 115.374 115.700 0.087 0.000 2.496 152 S HA -0.005 4.466 4.470 0.001 0.000 0.224 152 S C 0.779 175.399 174.600 0.032 0.000 0.996 152 S CA 0.084 58.335 58.200 0.085 0.000 0.927 152 S CB -0.279 63.034 63.200 0.188 0.000 0.774 152 S HN 0.454 nan 8.310 nan 0.000 0.524 153 K N 1.177 121.587 120.400 0.016 0.000 3.156 153 K HA -0.153 4.168 4.320 0.001 0.000 0.266 153 K C 0.146 176.754 176.600 0.013 0.000 0.966 153 K CA 0.190 56.480 56.287 0.005 0.000 0.719 153 K CB -2.387 30.111 32.500 -0.003 0.000 1.333 153 K HN 0.670 nan 8.250 nan 0.000 0.468 154 A N 0.970 123.805 122.820 0.025 0.000 2.540 154 A HA 0.038 4.358 4.320 0.001 0.000 0.239 154 A C 1.148 178.738 177.584 0.010 0.000 1.061 154 A CA 0.406 52.460 52.037 0.027 0.000 0.758 154 A CB 0.388 19.412 19.000 0.040 0.000 0.991 154 A HN 0.379 nan 8.150 nan 0.000 0.502 155 K N 0.721 121.128 120.400 0.011 0.000 2.262 155 K HA 0.342 4.662 4.320 0.001 0.000 0.200 155 K C 0.479 177.077 176.600 -0.003 0.000 1.049 155 K CA 1.355 57.644 56.287 0.003 0.000 0.979 155 K CB 0.277 32.783 32.500 0.009 0.000 0.773 155 K HN 0.891 nan 8.250 nan 0.000 0.474 156 A N 0.041 122.866 122.820 0.008 0.000 2.572 156 A HA 0.663 4.983 4.320 0.001 0.000 0.295 156 A C -1.669 175.930 177.584 0.024 0.000 1.072 156 A CA -0.677 51.365 52.037 0.007 0.000 0.691 156 A CB 1.135 20.149 19.000 0.023 0.000 1.291 156 A HN 0.134 nan 8.150 nan 0.000 0.404 157 I N 1.240 121.828 120.570 0.031 0.000 2.533 157 I HA 0.642 4.813 4.170 0.001 0.000 0.290 157 I C -1.543 174.662 176.117 0.146 0.000 1.056 157 I CA -0.859 60.492 61.300 0.084 0.000 1.057 157 I CB 2.010 40.074 38.000 0.107 0.000 1.240 157 I HN 0.372 nan 8.210 nan 0.000 0.423 158 V N 7.582 127.565 119.914 0.116 0.000 2.334 158 V HA 0.808 4.928 4.120 0.001 0.000 0.281 158 V C 0.127 176.274 176.094 0.089 0.000 1.016 158 V CA -0.274 62.082 62.300 0.093 0.000 0.832 158 V CB 0.852 32.643 31.823 -0.054 0.000 0.999 158 V HN 0.813 nan 8.190 nan 0.000 0.439 159 A N 3.764 126.662 122.820 0.130 0.000 2.430 159 A HA 1.013 5.333 4.320 0.001 0.000 0.300 159 A C 0.150 177.683 177.584 -0.085 0.000 1.124 159 A CA -0.145 51.914 52.037 0.037 0.000 0.766 159 A CB 1.898 20.937 19.000 0.065 0.000 1.328 159 A HN 0.944 nan 8.150 nan 0.000 0.424 160 G N -1.140 107.609 108.800 -0.086 0.000 2.667 160 G HA2 0.462 4.422 3.960 0.001 0.000 0.310 160 G HA3 0.462 4.422 3.960 0.001 0.000 0.310 160 G C -0.189 174.618 174.900 -0.154 0.000 1.259 160 G CA -0.229 44.811 45.100 -0.101 0.000 1.019 160 G HN 0.577 nan 8.290 nan 0.000 0.496 161 D N -0.617 119.711 120.400 -0.121 0.000 2.182 161 D HA -0.146 4.494 4.640 0.001 0.000 0.201 161 D C 1.799 178.044 176.300 -0.091 0.000 0.986 161 D CA 1.200 55.124 54.000 -0.125 0.000 0.847 161 D CB 0.274 41.032 40.800 -0.069 0.000 0.942 161 D HN 0.665 nan 8.370 nan 0.000 0.467 162 E N 0.562 120.732 120.200 -0.049 0.000 2.150 162 E HA -0.125 4.225 4.350 0.001 0.000 0.193 162 E C 1.931 178.513 176.600 -0.031 0.000 0.985 162 E CA 0.783 57.167 56.400 -0.025 0.000 0.814 162 E CB 0.362 30.064 29.700 0.002 0.000 0.752 162 E HN 0.177 nan 8.360 nan 0.000 0.466 163 V N -0.633 119.256 119.914 -0.041 0.000 3.650 163 V HA -0.015 4.105 4.120 0.001 0.000 0.271 163 V C 1.943 178.022 176.094 -0.024 0.000 1.281 163 V CA 0.268 62.557 62.300 -0.017 0.000 1.120 163 V CB -0.607 31.227 31.823 0.019 0.000 0.856 163 V HN 0.158 nan 8.190 nan 0.000 0.443 164 I N 1.031 121.524 120.570 -0.129 0.000 2.091 164 I HA -0.355 3.816 4.170 0.001 0.000 0.240 164 I C 2.481 178.629 176.117 0.052 0.000 1.046 164 I CA 2.308 63.504 61.300 -0.174 0.000 1.306 164 I CB -1.730 36.066 38.000 -0.340 0.000 1.018 164 I HN 0.409 nan 8.210 nan 0.000 0.404 165 Q N -0.030 119.784 119.800 0.023 0.000 2.172 165 Q HA -0.164 4.176 4.340 0.001 0.000 0.200 165 Q C 2.127 178.168 176.000 0.069 0.000 0.964 165 Q CA 1.060 56.897 55.803 0.057 0.000 0.855 165 Q CB 0.050 28.804 28.738 0.026 0.000 0.918 165 Q HN 0.592 nan 8.270 nan 0.000 0.444 166 E N -0.228 120.005 120.200 0.055 0.000 2.106 166 E HA -0.128 4.222 4.350 0.001 0.000 0.192 166 E C 2.122 178.771 176.600 0.083 0.000 0.984 166 E CA 1.022 57.453 56.400 0.051 0.000 0.806 166 E CB -0.057 29.660 29.700 0.029 0.000 0.750 166 E HN 0.236 nan 8.360 nan 0.000 0.458 167 V N 2.122 122.118 119.914 0.137 0.000 2.307 167 V HA -0.212 3.909 4.120 0.001 0.000 0.245 167 V C 1.711 177.907 176.094 0.171 0.000 1.045 167 V CA 1.930 64.341 62.300 0.186 0.000 1.024 167 V CB -0.462 31.570 31.823 0.347 0.000 0.651 167 V HN 0.080 nan 8.190 nan 0.000 0.449 168 D N -0.264 120.267 120.400 0.218 0.000 2.264 168 D HA -0.108 4.533 4.640 0.001 0.000 0.208 168 D C 2.214 178.570 176.300 0.093 0.000 0.966 168 D CA 1.308 55.410 54.000 0.169 0.000 0.864 168 D CB -0.275 40.662 40.800 0.229 0.000 0.933 168 D HN 0.353 nan 8.370 nan 0.000 0.499 169 T N -0.247 114.355 114.554 0.080 0.000 2.915 169 T HA -0.070 4.280 4.350 0.001 0.000 0.269 169 T C 1.823 176.547 174.700 0.041 0.000 1.071 169 T CA 1.284 63.416 62.100 0.053 0.000 1.132 169 T CB 0.191 69.085 68.868 0.044 0.000 0.878 169 T HN 0.202 nan 8.240 nan 0.000 0.479 170 V N -2.047 117.892 119.914 0.042 0.000 3.432 170 V HA 0.660 4.781 4.120 0.001 0.000 0.298 170 V C 2.173 178.277 176.094 0.017 0.000 1.464 170 V CA 0.246 62.563 62.300 0.028 0.000 1.046 170 V CB -0.501 31.339 31.823 0.029 0.000 0.887 170 V HN 0.247 nan 8.190 nan 0.000 0.441 171 A N 2.291 125.120 122.820 0.015 0.000 1.940 171 A HA -0.193 4.127 4.320 0.001 0.000 0.219 171 A C 2.494 180.061 177.584 -0.028 0.000 1.176 171 A CA 2.667 54.693 52.037 -0.018 0.000 0.631 171 A CB -0.908 18.061 19.000 -0.052 0.000 0.814 171 A HN 1.122 nan 8.150 nan 0.000 0.446 172 S N -0.310 115.380 115.700 -0.017 0.000 2.474 172 S HA -0.093 4.377 4.470 0.001 0.000 0.235 172 S C 1.259 175.852 174.600 -0.011 0.000 0.997 172 S CA 1.185 59.374 58.200 -0.017 0.000 0.949 172 S CB -0.407 62.787 63.200 -0.010 0.000 0.766 172 S HN 0.662 nan 8.310 nan 0.000 0.517 173 E N -0.004 120.193 120.200 -0.005 0.000 2.494 173 E HA 0.120 4.471 4.350 0.001 0.000 0.193 173 E C -0.621 175.975 176.600 -0.007 0.000 1.074 173 E CA -0.179 56.220 56.400 -0.002 0.000 0.867 173 E CB 0.005 29.708 29.700 0.006 0.000 0.924 173 E HN 0.497 nan 8.360 nan 0.000 0.502 174 C N 1.593 120.885 119.300 -0.014 0.000 2.409 174 C HA 0.241 4.701 4.460 0.001 0.000 0.297 174 C C -1.431 173.546 174.990 -0.022 0.000 1.083 174 C CA -1.448 57.560 59.018 -0.017 0.000 1.515 174 C CB 0.412 28.140 27.740 -0.019 0.000 1.869 174 C HN 0.260 nan 8.230 nan 0.000 0.413 175 P HA -0.033 nan 4.420 nan 0.000 0.222 175 P C 1.390 178.678 177.300 -0.019 0.000 1.153 175 P CA 1.147 64.236 63.100 -0.018 0.000 0.798 175 P CB 0.180 31.872 31.700 -0.013 0.000 0.796 176 S N -0.488 115.202 115.700 -0.017 0.000 2.461 176 S HA 0.009 4.479 4.470 0.001 0.000 0.228 176 S C 0.821 175.409 174.600 -0.020 0.000 1.005 176 S CA -0.114 58.077 58.200 -0.015 0.000 0.942 176 S CB -0.706 62.489 63.200 -0.009 0.000 0.776 176 S HN 0.067 nan 8.310 nan 0.000 0.514 177 L N 2.943 124.149 121.223 -0.028 0.000 2.530 177 L HA 0.204 4.544 4.340 0.001 0.000 0.273 177 L C 1.067 177.902 176.870 -0.058 0.000 1.141 177 L CA 0.415 55.230 54.840 -0.043 0.000 0.905 177 L CB 0.195 42.221 42.059 -0.055 0.000 1.202 177 L HN -0.025 nan 8.230 nan 0.000 0.473 178 R N 4.112 124.580 120.500 -0.052 0.000 2.287 178 R HA 0.337 4.677 4.340 0.001 0.000 0.197 178 R C -0.265 175.994 176.300 -0.068 0.000 0.900 178 R CA -0.037 56.032 56.100 -0.052 0.000 1.052 178 R CB 0.596 30.878 30.300 -0.029 0.000 1.117 178 R HN 0.497 nan 8.270 nan 0.000 0.568 179 I N 2.116 122.644 120.570 -0.069 0.000 2.466 179 I HA 0.320 4.490 4.170 0.001 0.000 0.289 179 I C -1.055 174.991 176.117 -0.117 0.000 1.026 179 I CA -0.643 60.616 61.300 -0.069 0.000 1.078 179 I CB 1.947 39.940 38.000 -0.013 0.000 1.249 179 I HN 0.029 nan 8.210 nan 0.000 0.429 180 K N 7.263 127.545 120.400 -0.196 0.000 2.507 180 K HA 0.576 4.896 4.320 0.001 0.000 0.253 180 K C -1.096 175.535 176.600 0.052 0.000 0.969 180 K CA -0.598 55.488 56.287 -0.336 0.000 0.908 180 K CB 2.359 34.170 32.500 -1.149 0.000 1.127 180 K HN 0.424 nan 8.250 nan 0.000 0.437 181 L N 4.128 125.529 121.223 0.296 0.000 2.287 181 L HA 0.369 4.709 4.340 0.001 0.000 0.287 181 L C -0.737 176.420 176.870 0.478 0.000 1.022 181 L CA -1.088 53.981 54.840 0.382 0.000 0.814 181 L CB 1.064 43.298 42.059 0.291 0.000 1.217 181 L HN 0.368 nan 8.230 nan 0.000 0.420 182 L N 5.214 126.691 121.223 0.423 0.000 2.289 182 L HA 0.474 4.815 4.340 0.001 0.000 0.285 182 L C -0.549 176.384 176.870 0.105 0.000 1.049 182 L CA -0.129 54.783 54.840 0.121 0.000 0.804 182 L CB 1.683 43.718 42.059 -0.040 0.000 1.195 182 L HN 0.236 nan 8.230 nan 0.000 0.428 183 V N 5.276 125.188 119.914 -0.004 0.000 2.333 183 V HA 0.728 4.848 4.120 0.001 0.000 0.274 183 V C 0.078 176.164 176.094 -0.012 0.000 1.028 183 V CA 0.059 62.363 62.300 0.005 0.000 0.851 183 V CB 0.558 32.317 31.823 -0.106 0.000 1.000 183 V HN 0.924 nan 8.190 nan 0.000 0.456 184 S N 3.170 118.883 115.700 0.022 0.000 2.595 184 S HA 0.359 4.829 4.470 0.001 0.000 0.270 184 S C 0.221 174.836 174.600 0.024 0.000 1.145 184 S CA -0.553 57.648 58.200 0.001 0.000 0.825 184 S CB 1.961 65.135 63.200 -0.043 0.000 1.107 184 S HN 0.581 nan 8.310 nan 0.000 0.461 185 E N 1.161 121.373 120.200 0.020 0.000 2.358 185 E HA 0.147 4.497 4.350 0.001 0.000 0.195 185 E C -0.085 176.527 176.600 0.021 0.000 1.010 185 E CA 0.782 57.198 56.400 0.027 0.000 0.856 185 E CB 0.072 29.791 29.700 0.031 0.000 0.795 185 E HN 0.403 nan 8.360 nan 0.000 0.504 186 K N 0.708 121.113 120.400 0.008 0.000 2.138 186 K HA 0.376 4.696 4.320 0.001 0.000 0.263 186 K C 0.036 176.640 176.600 0.007 0.000 0.965 186 K CA -0.344 55.946 56.287 0.005 0.000 0.868 186 K CB 1.925 34.419 32.500 -0.009 0.000 1.083 186 K HN -0.192 nan 8.250 nan 0.000 0.443 187 S N 0.680 116.393 115.700 0.022 0.000 2.610 187 S HA 0.313 4.784 4.470 0.001 0.000 0.273 187 S C -0.655 173.967 174.600 0.037 0.000 1.274 187 S CA -0.643 57.581 58.200 0.040 0.000 1.023 187 S CB 0.778 64.010 63.200 0.052 0.000 0.962 187 S HN 0.700 nan 8.310 nan 0.000 0.523 188 C N 1.743 121.086 119.300 0.072 0.000 2.782 188 C HA 0.658 5.118 4.460 0.001 0.000 0.328 188 C C -0.047 175.065 174.990 0.204 0.000 1.145 188 C CA -0.491 58.583 59.018 0.093 0.000 1.358 188 C CB 0.301 28.038 27.740 -0.004 0.000 1.841 188 C HN 0.978 nan 8.230 nan 0.000 0.477 189 D N 1.783 122.285 120.400 0.171 0.000 2.488 189 D HA 0.415 5.055 4.640 0.001 0.000 0.238 189 D C 1.521 177.956 176.300 0.224 0.000 1.138 189 D CA 0.769 54.864 54.000 0.159 0.000 0.873 189 D CB 0.245 41.109 40.800 0.107 0.000 1.183 189 D HN 2.481 nan 8.370 nan 0.000 0.458 190 G N 0.262 109.140 108.800 0.131 0.000 2.199 190 G HA2 -0.214 3.746 3.960 0.001 0.000 0.254 190 G HA3 -0.214 3.746 3.960 0.001 0.000 0.254 190 G C 0.034 174.869 174.900 -0.109 0.000 0.982 190 G CA 0.363 45.467 45.100 0.007 0.000 0.632 190 G HN 0.790 nan 8.290 nan 0.000 0.529 191 W N 0.619 121.935 121.300 0.028 0.000 2.656 191 W HA 0.735 5.395 4.660 0.001 0.000 0.327 191 W C 0.447 176.990 176.519 0.040 0.000 1.041 191 W CA -1.063 56.303 57.345 0.035 0.000 1.229 191 W CB 0.973 30.456 29.460 0.037 0.000 1.397 191 W HN 0.062 nan 8.180 nan 0.000 0.479 192 L N 3.736 125.110 121.223 0.251 0.000 2.416 192 L HA 0.126 4.467 4.340 0.001 0.000 0.272 192 L C 0.777 177.782 176.870 0.225 0.000 1.161 192 L CA -0.313 54.636 54.840 0.183 0.000 0.845 192 L CB 0.238 42.372 42.059 0.125 0.000 1.119 192 L HN 0.391 nan 8.230 nan 0.000 0.464 193 N N 2.409 121.204 118.700 0.158 0.000 2.415 193 N HA -0.036 4.705 4.740 0.001 0.000 0.250 193 N C 0.498 176.093 175.510 0.141 0.000 1.127 193 N CA 0.109 53.245 53.050 0.144 0.000 0.945 193 N CB 0.450 38.991 38.487 0.090 0.000 1.196 193 N HN 0.541 nan 8.380 nan 0.000 0.499 194 F N 4.844 124.827 119.950 0.055 0.000 2.134 194 F HA -0.070 4.457 4.527 0.000 0.000 0.299 194 F C 1.815 177.624 175.800 0.015 0.000 1.097 194 F CA 1.433 59.454 58.000 0.034 0.000 1.264 194 F CB 0.259 39.279 39.000 0.032 0.000 1.001 194 F HN 0.446 nan 8.300 nan 0.000 0.479 195 K N -0.011 120.490 120.400 0.168 0.000 2.097 195 K HA -0.187 4.134 4.320 0.001 0.000 0.206 195 K C 2.398 178.968 176.600 -0.049 0.000 1.049 195 K CA 1.542 57.869 56.287 0.066 0.000 0.933 195 K CB -0.256 32.312 32.500 0.113 0.000 0.717 195 K HN 0.073 nan 8.250 nan 0.000 0.442 196 K N 1.196 121.579 120.400 -0.028 0.000 2.062 196 K HA 0.012 4.332 4.320 0.001 0.000 0.205 196 K C 2.103 178.653 176.600 -0.084 0.000 1.051 196 K CA 0.730 56.996 56.287 -0.035 0.000 0.941 196 K CB -0.474 32.024 32.500 -0.003 0.000 0.719 196 K HN 0.185 nan 8.250 nan 0.000 0.440 197 L N 0.288 121.435 121.223 -0.126 0.000 2.046 197 L HA -0.092 4.249 4.340 0.001 0.000 0.208 197 L C 2.550 179.276 176.870 -0.241 0.000 1.077 197 L CA 1.175 55.917 54.840 -0.162 0.000 0.747 197 L CB -0.489 41.475 42.059 -0.159 0.000 0.896 197 L HN 0.239 nan 8.230 nan 0.000 0.432 198 L N 0.390 121.371 121.223 -0.402 0.000 1.990 198 L HA -0.264 4.077 4.340 0.001 0.000 0.213 198 L C 2.017 178.773 176.870 -0.190 0.000 1.072 198 L CA 2.007 56.611 54.840 -0.394 0.000 0.755 198 L CB -0.631 41.129 42.059 -0.498 0.000 0.889 198 L HN 0.227 nan 8.230 nan 0.000 0.432 199 N N -0.521 118.100 118.700 -0.132 0.000 2.364 199 N HA -0.147 4.593 4.740 0.001 0.000 0.183 199 N C 1.509 176.985 175.510 -0.057 0.000 1.022 199 N CA 1.228 54.238 53.050 -0.067 0.000 0.883 199 N CB -0.026 38.439 38.487 -0.037 0.000 0.965 199 N HN 0.548 nan 8.380 nan 0.000 0.438 200 E N -0.333 119.825 120.200 -0.071 0.000 2.385 200 E HA 0.172 4.523 4.350 0.001 0.000 0.194 200 E C 0.260 176.829 176.600 -0.053 0.000 1.013 200 E CA -0.111 56.258 56.400 -0.052 0.000 0.866 200 E CB 0.284 29.955 29.700 -0.048 0.000 0.832 200 E HN 0.274 nan 8.360 nan 0.000 0.500 201 A N 1.408 124.183 122.820 -0.075 0.000 2.351 201 A HA 0.215 4.536 4.320 0.001 0.000 0.257 201 A C 0.331 177.888 177.584 -0.046 0.000 1.087 201 A CA -0.241 51.757 52.037 -0.065 0.000 0.798 201 A CB 0.834 19.778 19.000 -0.094 0.000 1.033 201 A HN 0.082 nan 8.150 nan 0.000 0.488 202 S N -0.300 115.382 115.700 -0.030 0.000 2.572 202 S HA 0.214 4.684 4.470 0.001 0.000 0.279 202 S C 1.453 176.035 174.600 -0.029 0.000 1.341 202 S CA 0.258 58.444 58.200 -0.025 0.000 1.043 202 S CB 0.265 63.454 63.200 -0.018 0.000 0.887 202 S HN 1.192 nan 8.310 nan 0.000 0.516 203 T N 0.938 115.475 114.554 -0.029 0.000 3.129 203 T HA 0.163 4.513 4.350 0.001 0.000 0.251 203 T C 0.366 175.044 174.700 -0.036 0.000 1.117 203 T CA -0.055 62.028 62.100 -0.029 0.000 1.034 203 T CB -0.432 68.423 68.868 -0.022 0.000 0.968 203 T HN 0.501 nan 8.240 nan 0.000 0.526 204 T N 2.754 117.276 114.554 -0.053 0.000 2.756 204 T HA 0.359 4.710 4.350 0.001 0.000 0.290 204 T C -1.007 173.625 174.700 -0.112 0.000 0.985 204 T CA -0.645 61.388 62.100 -0.112 0.000 0.955 204 T CB 1.067 69.838 68.868 -0.162 0.000 0.930 204 T HN 0.407 nan 8.240 nan 0.000 0.451 205 H N 2.502 121.442 119.070 -0.216 0.000 2.679 205 H HA 0.295 4.851 4.556 0.000 0.000 0.360 205 H C -0.992 174.204 175.328 -0.221 0.000 1.105 205 H CA -0.630 55.307 56.048 -0.186 0.000 1.196 205 H CB 1.128 30.846 29.762 -0.073 0.000 1.636 205 H HN 0.701 nan 8.280 nan 0.000 0.531 206 H N 3.312 122.040 119.070 -0.569 0.000 2.846 206 H HA 0.117 4.673 4.556 0.000 0.000 0.278 206 H C 0.332 175.390 175.328 -0.450 0.000 1.117 206 H CA -0.121 55.700 56.048 -0.379 0.000 1.406 206 H CB 0.182 29.780 29.762 -0.273 0.000 1.445 206 H HN 0.442 nan 8.280 nan 0.000 0.469 207 C N 4.658 123.928 119.300 -0.049 0.000 2.611 207 C HA 0.029 4.490 4.460 0.001 0.000 0.416 207 C C 0.803 175.801 174.990 0.013 0.000 1.366 207 C CA -0.503 58.555 59.018 0.067 0.000 1.761 207 C CB -0.871 26.901 27.740 0.054 0.000 2.619 207 C HN 0.606 nan 8.230 nan 0.000 0.606 208 V N 7.829 127.777 119.914 0.057 0.000 2.585 208 V HA 0.075 4.195 4.120 0.001 0.000 0.296 208 V C 0.930 176.986 176.094 -0.064 0.000 1.035 208 V CA 0.438 62.738 62.300 0.001 0.000 1.084 208 V CB 0.803 32.646 31.823 0.034 0.000 0.953 208 V HN 0.796 nan 8.190 nan 0.000 0.483 209 E N 3.596 123.756 120.200 -0.068 0.000 2.053 209 E HA 0.040 4.390 4.350 0.001 0.000 0.297 209 E C 0.664 177.194 176.600 -0.118 0.000 1.173 209 E CA -0.106 56.243 56.400 -0.085 0.000 1.219 209 E CB -0.241 29.424 29.700 -0.058 0.000 1.103 209 E HN 0.873 nan 8.360 nan 0.000 0.476 210 T N -1.493 112.928 114.554 -0.223 0.000 2.918 210 T HA 0.320 4.670 4.350 0.001 0.000 0.302 210 T C 0.781 175.370 174.700 -0.185 0.000 1.045 210 T CA -0.722 61.170 62.100 -0.347 0.000 1.114 210 T CB 1.679 69.930 68.868 -1.028 0.000 0.965 210 T HN 0.211 nan 8.240 nan 0.000 0.540 211 G N 0.954 109.716 108.800 -0.064 0.000 2.444 211 G HA2 0.390 4.350 3.960 0.001 0.000 0.268 211 G HA3 0.390 4.350 3.960 0.001 0.000 0.268 211 G C 0.914 175.914 174.900 0.167 0.000 1.203 211 G CA -0.740 44.393 45.100 0.055 0.000 0.835 211 G HN 0.739 nan 8.290 nan 0.000 0.543 212 S N 0.610 116.412 115.700 0.170 0.000 2.374 212 S HA -0.159 4.311 4.470 0.001 0.000 0.227 212 S C 2.092 176.800 174.600 0.179 0.000 1.037 212 S CA 1.499 59.823 58.200 0.206 0.000 1.024 212 S CB -0.101 63.174 63.200 0.125 0.000 0.861 212 S HN 0.716 nan 8.310 nan 0.000 0.456 213 Q N 0.140 120.016 119.800 0.126 0.000 2.280 213 Q HA 0.208 4.548 4.340 0.001 0.000 0.201 213 Q C 0.295 176.361 176.000 0.109 0.000 0.890 213 Q CA -0.135 55.717 55.803 0.083 0.000 0.947 213 Q CB 0.386 29.144 28.738 0.033 0.000 1.081 213 Q HN 0.517 nan 8.270 nan 0.000 0.502 214 E N 0.911 121.233 120.200 0.204 0.000 2.373 214 E HA 0.298 4.649 4.350 0.001 0.000 0.267 214 E C -0.684 176.041 176.600 0.208 0.000 1.032 214 E CA -0.398 56.141 56.400 0.232 0.000 0.889 214 E CB 0.752 30.632 29.700 0.301 0.000 0.984 214 E HN 0.200 nan 8.360 nan 0.000 0.425 215 A N 3.396 126.267 122.820 0.085 0.000 2.520 215 A HA 0.045 4.365 4.320 0.001 0.000 0.245 215 A C 0.737 178.208 177.584 -0.189 0.000 1.072 215 A CA 0.597 52.604 52.037 -0.050 0.000 0.761 215 A CB 0.711 19.683 19.000 -0.047 0.000 1.004 215 A HN 0.634 nan 8.150 nan 0.000 0.499 216 S N 0.935 116.368 115.700 -0.445 0.000 2.670 216 S HA 0.552 5.022 4.470 0.001 0.000 0.241 216 S C 0.490 174.693 174.600 -0.661 0.000 1.077 216 S CA 0.895 58.652 58.200 -0.739 0.000 0.899 216 S CB 0.007 62.467 63.200 -1.235 0.000 0.835 216 S HN 1.810 nan 8.310 nan 0.000 0.481 217 A N 0.659 123.112 122.820 -0.612 0.000 2.587 217 A HA 0.784 5.104 4.320 0.001 0.000 0.293 217 A C -1.631 175.727 177.584 -0.377 0.000 1.087 217 A CA -0.600 50.918 52.037 -0.866 0.000 0.692 217 A CB 1.110 19.362 19.000 -1.247 0.000 1.291 217 A HN 0.372 nan 8.150 nan 0.000 0.407 218 I N 1.089 121.432 120.570 -0.377 0.000 2.478 218 I HA 0.325 4.495 4.170 0.001 0.000 0.287 218 I C -1.652 174.348 176.117 -0.195 0.000 1.042 218 I CA -0.270 60.920 61.300 -0.184 0.000 1.067 218 I CB 1.706 39.593 38.000 -0.189 0.000 1.233 218 I HN 0.661 nan 8.210 nan 0.000 0.431 219 Y N 5.591 125.917 120.300 0.043 0.000 2.331 219 Y HA 0.406 4.957 4.550 0.000 0.000 0.338 219 Y C -0.043 175.938 175.900 0.135 0.000 0.976 219 Y CA -0.421 57.773 58.100 0.156 0.000 1.137 219 Y CB 1.195 39.771 38.460 0.194 0.000 1.172 219 Y HN 0.331 nan 8.280 nan 0.000 0.478 220 F N 1.867 121.979 119.950 0.271 0.000 2.529 220 F HA 0.289 4.815 4.527 -0.001 0.000 0.365 220 F C 0.811 176.766 175.800 0.260 0.000 1.102 220 F CA 0.640 58.790 58.000 0.250 0.000 1.271 220 F CB 0.895 40.028 39.000 0.221 0.000 1.120 220 F HN 0.271 nan 8.300 nan 0.000 0.579 221 T N 2.796 117.561 114.554 0.351 0.000 3.032 221 T HA 0.338 4.689 4.350 0.001 0.000 0.312 221 T C -0.650 174.161 174.700 0.185 0.000 1.078 221 T CA -0.641 61.614 62.100 0.260 0.000 1.028 221 T CB 0.762 69.778 68.868 0.247 0.000 1.091 221 T HN 0.515 nan 8.240 nan 0.000 0.457 222 S N 2.251 118.040 115.700 0.148 0.000 2.576 222 S HA 0.646 5.116 4.470 0.001 0.000 0.276 222 S C 0.658 175.294 174.600 0.060 0.000 1.339 222 S CA -0.440 57.818 58.200 0.096 0.000 1.039 222 S CB 1.053 64.307 63.200 0.090 0.000 0.902 222 S HN 0.919 nan 8.310 nan 0.000 0.516 223 G N 0.035 108.850 108.800 0.025 0.000 2.644 223 G HA2 0.427 4.388 3.960 0.001 0.000 0.307 223 G HA3 0.427 4.388 3.960 0.001 0.000 0.307 223 G C 0.715 175.616 174.900 0.003 0.000 1.250 223 G CA -0.408 44.693 45.100 0.001 0.000 0.996 223 G HN 0.583 nan 8.290 nan 0.000 0.489 224 T N -1.149 113.403 114.554 -0.004 0.000 2.833 224 T HA 0.025 4.375 4.350 0.001 0.000 0.269 224 T C 1.166 175.862 174.700 -0.006 0.000 1.054 224 T CA 2.026 64.124 62.100 -0.003 0.000 1.135 224 T CB -0.399 68.463 68.868 -0.011 0.000 0.869 224 T HN 1.136 nan 8.240 nan 0.000 0.466 225 S N -1.813 113.880 115.700 -0.012 0.000 2.607 225 S HA 0.634 5.105 4.470 0.001 0.000 0.273 225 S C 0.221 174.813 174.600 -0.014 0.000 1.148 225 S CA 0.113 58.307 58.200 -0.011 0.000 0.833 225 S CB 1.386 64.580 63.200 -0.010 0.000 1.130 225 S HN 1.049 nan 8.310 nan 0.000 0.470 226 G N 0.717 109.509 108.800 -0.013 0.000 2.645 226 G HA2 -0.113 3.847 3.960 0.001 0.000 0.239 226 G HA3 -0.113 3.847 3.960 0.001 0.000 0.239 226 G C -0.892 173.989 174.900 -0.032 0.000 1.331 226 G CA -0.048 45.044 45.100 -0.012 0.000 0.890 226 G HN 1.204 nan 8.290 nan 0.000 0.572 227 L N 0.942 122.148 121.223 -0.028 0.000 2.313 227 L HA 0.549 4.889 4.340 0.001 0.000 0.268 227 L C -1.892 174.981 176.870 0.005 0.000 1.010 227 L CA -2.094 52.669 54.840 -0.128 0.000 0.814 227 L CB 1.879 43.720 42.059 -0.363 0.000 1.304 227 L HN 0.404 nan 8.230 nan 0.000 0.441 228 P HA 0.082 nan 4.420 nan 0.000 0.267 228 P C -1.247 176.260 177.300 0.344 0.000 1.200 228 P CA -0.011 63.223 63.100 0.222 0.000 0.772 228 P CB 0.361 32.270 31.700 0.347 0.000 0.855 229 K N 1.912 122.403 120.400 0.152 0.000 2.095 229 K HA 0.488 4.809 4.320 0.001 0.000 0.252 229 K C 0.083 176.685 176.600 0.004 0.000 0.977 229 K CA -0.657 55.644 56.287 0.023 0.000 0.900 229 K CB 0.841 33.145 32.500 -0.326 0.000 1.060 229 K HN 0.413 nan 8.250 nan 0.000 0.449 230 M N 2.131 121.680 119.600 -0.085 0.000 2.111 230 M HA 0.201 4.681 4.480 0.001 0.000 0.351 230 M C -0.582 175.787 176.300 0.114 0.000 1.214 230 M CA -0.448 54.689 55.300 -0.271 0.000 1.120 230 M CB 1.251 33.609 32.600 -0.402 0.000 1.443 230 M HN 0.641 nan 8.290 nan 0.000 0.429 231 A N 3.827 126.772 122.820 0.209 0.000 2.310 231 A HA 0.282 4.603 4.320 0.001 0.000 0.300 231 A C -0.149 177.565 177.584 0.218 0.000 1.269 231 A CA -0.450 51.808 52.037 0.368 0.000 0.909 231 A CB 0.109 19.320 19.000 0.350 0.000 1.144 231 A HN 0.791 nan 8.150 nan 0.000 0.540 232 E N 2.781 123.024 120.200 0.071 0.000 2.200 232 E HA 0.289 4.639 4.350 0.001 0.000 0.283 232 E C -0.890 175.635 176.600 -0.126 0.000 1.015 232 E CA -0.402 55.961 56.400 -0.062 0.000 0.819 232 E CB 0.479 30.089 29.700 -0.149 0.000 1.081 232 E HN 0.790 nan 8.360 nan 0.000 0.397 233 H N 1.577 120.633 119.070 -0.024 0.000 2.569 233 H HA 0.256 4.812 4.556 0.001 0.000 0.357 233 H C -0.191 175.062 175.328 -0.126 0.000 1.153 233 H CA -0.573 55.456 56.048 -0.031 0.000 1.193 233 H CB 2.048 31.812 29.762 0.003 0.000 1.602 233 H HN 0.642 nan 8.280 nan 0.000 0.523 234 S N 1.110 116.843 115.700 0.055 0.000 2.730 234 S HA 0.146 4.616 4.470 0.001 0.000 0.284 234 S C 0.910 175.500 174.600 -0.018 0.000 1.153 234 S CA -0.593 57.601 58.200 -0.011 0.000 0.995 234 S CB 0.638 63.866 63.200 0.047 0.000 1.058 234 S HN 0.548 nan 8.310 nan 0.000 0.552 235 Y N 1.024 121.420 120.300 0.161 0.000 2.256 235 Y HA -0.136 4.414 4.550 0.000 0.000 0.288 235 Y C 3.128 179.182 175.900 0.256 0.000 1.155 235 Y CA 1.792 60.054 58.100 0.269 0.000 1.203 235 Y CB -0.582 38.066 38.460 0.313 0.000 0.980 235 Y HN 0.828 nan 8.280 nan 0.000 0.530 236 S N -1.392 114.429 115.700 0.203 0.000 2.421 236 S HA -0.133 4.337 4.470 0.001 0.000 0.224 236 S C 2.151 176.701 174.600 -0.082 0.000 1.035 236 S CA 0.585 58.724 58.200 -0.101 0.000 0.953 236 S CB -0.944 62.193 63.200 -0.105 0.000 0.810 236 S HN 0.456 nan 8.310 nan 0.000 0.497 237 S N 2.133 117.845 115.700 0.019 0.000 2.419 237 S HA 0.040 4.510 4.470 0.001 0.000 0.233 237 S C 1.727 176.347 174.600 0.034 0.000 1.016 237 S CA 0.983 59.223 58.200 0.067 0.000 0.974 237 S CB -0.728 62.597 63.200 0.209 0.000 0.786 237 S HN 0.525 nan 8.310 nan 0.000 0.492 238 L N 0.527 121.758 121.223 0.014 0.000 2.194 238 L HA 0.308 4.648 4.340 0.001 0.000 0.197 238 L C 3.048 179.924 176.870 0.010 0.000 1.106 238 L CA 0.835 55.648 54.840 -0.045 0.000 0.785 238 L CB -1.231 40.817 42.059 -0.018 0.000 0.960 238 L HN 0.451 nan 8.230 nan 0.000 0.465 239 G N 0.105 108.996 108.800 0.152 0.000 2.404 239 G HA2 -0.227 3.733 3.960 0.001 0.000 0.215 239 G HA3 -0.227 3.733 3.960 0.001 0.000 0.215 239 G C 1.512 176.563 174.900 0.251 0.000 1.174 239 G CA 0.588 45.943 45.100 0.425 0.000 0.780 239 G HN 0.136 nan 8.290 nan 0.000 0.537 240 L N 0.635 121.601 121.223 -0.429 0.000 2.109 240 L HA 0.182 4.522 4.340 0.001 0.000 0.207 240 L C 2.590 179.354 176.870 -0.177 0.000 1.086 240 L CA 2.003 56.488 54.840 -0.592 0.000 0.760 240 L CB -0.483 40.993 42.059 -0.972 0.000 0.910 240 L HN 0.176 nan 8.230 nan 0.000 0.437 241 K N 0.331 120.649 120.400 -0.138 0.000 2.032 241 K HA -0.111 4.209 4.320 0.001 0.000 0.209 241 K C 2.015 178.595 176.600 -0.035 0.000 1.048 241 K CA 1.931 58.159 56.287 -0.098 0.000 0.927 241 K CB -0.794 31.645 32.500 -0.102 0.000 0.712 241 K HN 0.368 nan 8.250 nan 0.000 0.441 242 A N 0.875 123.712 122.820 0.029 0.000 1.908 242 A HA -0.208 4.112 4.320 0.001 0.000 0.218 242 A C 2.188 179.899 177.584 0.212 0.000 1.181 242 A CA 2.085 54.192 52.037 0.117 0.000 0.627 242 A CB -0.645 18.419 19.000 0.107 0.000 0.818 242 A HN 0.466 nan 8.150 nan 0.000 0.445 243 K N -0.934 119.624 120.400 0.263 0.000 2.097 243 K HA -0.115 4.205 4.320 0.001 0.000 0.206 243 K C 2.039 178.734 176.600 0.159 0.000 1.049 243 K CA 1.752 58.203 56.287 0.272 0.000 0.933 243 K CB -0.241 32.441 32.500 0.302 0.000 0.717 243 K HN 0.524 nan 8.250 nan 0.000 0.442 244 M N 0.596 120.245 119.600 0.082 0.000 2.175 244 M HA -0.130 4.350 4.480 0.001 0.000 0.264 244 M C 0.999 177.327 176.300 0.047 0.000 1.063 244 M CA 1.331 56.651 55.300 0.035 0.000 1.119 244 M CB 0.066 32.647 32.600 -0.031 0.000 1.377 244 M HN 0.051 nan 8.290 nan 0.000 0.415 245 D N 0.827 121.264 120.400 0.061 0.000 2.355 245 D HA 0.133 4.773 4.640 0.001 0.000 0.218 245 D C 0.442 176.920 176.300 0.298 0.000 1.004 245 D CA 0.233 54.300 54.000 0.112 0.000 0.880 245 D CB -0.150 40.647 40.800 -0.005 0.000 0.911 245 D HN 0.187 nan 8.370 nan 0.000 0.528 246 A N 0.205 123.170 122.820 0.243 0.000 2.573 246 A HA 0.362 4.683 4.320 0.001 0.000 0.250 246 A C 1.593 179.288 177.584 0.185 0.000 1.049 246 A CA 1.038 53.216 52.037 0.236 0.000 0.767 246 A CB -0.237 18.903 19.000 0.234 0.000 0.965 246 A HN 0.382 nan 8.150 nan 0.000 0.514 247 G N 1.822 110.692 108.800 0.117 0.000 2.213 247 G HA2 -0.284 3.676 3.960 0.001 0.000 0.226 247 G HA3 -0.284 3.676 3.960 0.001 0.000 0.226 247 G C 0.992 175.926 174.900 0.057 0.000 0.992 247 G CA 0.781 45.917 45.100 0.060 0.000 0.632 247 G HN 1.642 nan 8.290 nan 0.000 0.511 248 W N 1.880 123.193 121.300 0.021 0.000 2.331 248 W HA -0.145 4.516 4.660 0.001 0.000 0.291 248 W C 1.729 178.253 176.519 0.008 0.000 1.214 248 W CA 2.446 59.793 57.345 0.004 0.000 1.228 248 W CB -1.579 27.869 29.460 -0.020 0.000 1.135 248 W HN 0.735 nan 8.180 nan 0.000 0.537 249 T N -2.042 112.093 114.554 -0.699 0.000 3.113 249 T HA 0.266 4.616 4.350 0.001 0.000 0.263 249 T C 1.802 176.333 174.700 -0.282 0.000 1.143 249 T CA 1.530 63.179 62.100 -0.752 0.000 1.090 249 T CB -0.623 67.657 68.868 -0.979 0.000 0.922 249 T HN 0.670 nan 8.240 nan 0.000 0.521 250 G N 0.504 109.220 108.800 -0.140 0.000 2.195 250 G HA2 -0.210 3.750 3.960 0.001 0.000 0.246 250 G HA3 -0.210 3.750 3.960 0.001 0.000 0.246 250 G C -0.106 174.768 174.900 -0.043 0.000 0.984 250 G CA 0.014 45.083 45.100 -0.051 0.000 0.633 250 G HN 0.728 nan 8.290 nan 0.000 0.525 251 L N 1.431 122.604 121.223 -0.084 0.000 2.485 251 L HA 0.531 4.871 4.340 0.001 0.000 0.275 251 L C 0.608 177.480 176.870 0.003 0.000 1.207 251 L CA 0.563 55.379 54.840 -0.040 0.000 0.855 251 L CB 0.589 42.609 42.059 -0.065 0.000 1.114 251 L HN 0.447 nan 8.230 nan 0.000 0.485 252 Q N 2.970 122.784 119.800 0.023 0.000 2.445 252 Q HA 0.497 4.837 4.340 0.001 0.000 0.281 252 Q C 0.809 176.826 176.000 0.027 0.000 1.101 252 Q CA -0.329 55.495 55.803 0.034 0.000 0.833 252 Q CB 1.505 30.266 28.738 0.037 0.000 1.416 252 Q HN 0.780 nan 8.270 nan 0.000 0.451 253 A N 0.815 123.641 122.820 0.010 0.000 1.958 253 A HA -0.199 4.122 4.320 0.001 0.000 0.221 253 A C 1.595 179.152 177.584 -0.045 0.000 1.178 253 A CA 2.407 54.407 52.037 -0.062 0.000 0.642 253 A CB -0.528 18.424 19.000 -0.080 0.000 0.816 253 A HN 0.661 nan 8.150 nan 0.000 0.453 254 S N -0.796 114.907 115.700 0.005 0.000 2.561 254 S HA 0.308 4.778 4.470 0.001 0.000 0.245 254 S C -0.536 174.100 174.600 0.060 0.000 1.001 254 S CA -0.593 57.625 58.200 0.030 0.000 1.002 254 S CB -0.086 63.131 63.200 0.029 0.000 0.805 254 S HN 0.369 nan 8.310 nan 0.000 0.458 255 D N 1.475 121.915 120.400 0.066 0.000 2.442 255 D HA 0.553 5.193 4.640 0.001 0.000 0.254 255 D C -0.180 176.185 176.300 0.109 0.000 1.069 255 D CA -0.633 53.414 54.000 0.078 0.000 1.017 255 D CB 1.081 41.916 40.800 0.058 0.000 1.172 255 D HN 0.220 nan 8.370 nan 0.000 0.561 256 I N 0.845 121.476 120.570 0.102 0.000 2.418 256 I HA 0.352 4.523 4.170 0.001 0.000 0.287 256 I C -0.430 175.737 176.117 0.082 0.000 1.008 256 I CA -0.641 60.734 61.300 0.124 0.000 1.104 256 I CB 1.705 39.782 38.000 0.129 0.000 1.264 256 I HN 0.077 nan 8.210 nan 0.000 0.438 257 M N 6.300 125.965 119.600 0.108 0.000 2.364 257 M HA 0.413 4.894 4.480 0.001 0.000 0.334 257 M C -1.859 174.558 176.300 0.195 0.000 1.107 257 M CA -0.419 54.937 55.300 0.092 0.000 0.988 257 M CB 2.253 34.875 32.600 0.037 0.000 1.673 257 M HN 0.650 nan 8.290 nan 0.000 0.441 258 W N 5.373 126.646 121.300 -0.046 0.000 2.299 258 W HA 0.473 5.133 4.660 0.000 0.000 0.319 258 W C -1.322 175.173 176.519 -0.040 0.000 1.008 258 W CA -0.627 56.716 57.345 -0.004 0.000 1.384 258 W CB 1.065 30.489 29.460 -0.061 0.000 1.220 258 W HN 0.564 nan 8.180 nan 0.000 0.402 259 T N 7.513 122.151 114.554 0.140 0.000 2.771 259 T HA 0.431 4.782 4.350 0.001 0.000 0.291 259 T C 0.031 174.637 174.700 -0.156 0.000 0.954 259 T CA -0.144 61.906 62.100 -0.083 0.000 1.045 259 T CB 0.592 69.436 68.868 -0.040 0.000 0.917 259 T HN 0.180 nan 8.240 nan 0.000 0.484 260 I N 3.356 123.697 120.570 -0.382 0.000 2.306 260 I HA 0.456 4.626 4.170 0.001 0.000 0.288 260 I C 0.309 176.379 176.117 -0.079 0.000 1.036 260 I CA -0.046 61.057 61.300 -0.328 0.000 1.221 260 I CB 0.945 38.580 38.000 -0.608 0.000 1.385 260 I HN 0.513 nan 8.210 nan 0.000 0.472 261 S N 4.503 120.219 115.700 0.027 0.000 2.537 261 S HA 0.198 4.669 4.470 0.001 0.000 0.271 261 S C -1.236 173.391 174.600 0.045 0.000 1.148 261 S CA -0.839 57.401 58.200 0.068 0.000 0.868 261 S CB 1.521 64.716 63.200 -0.007 0.000 1.115 261 S HN 0.604 nan 8.310 nan 0.000 0.461 262 D N 2.018 122.446 120.400 0.048 0.000 2.488 262 D HA 0.068 4.708 4.640 0.001 0.000 0.238 262 D C 1.691 177.964 176.300 -0.045 0.000 1.138 262 D CA 0.734 54.742 54.000 0.012 0.000 0.873 262 D CB 1.432 42.243 40.800 0.017 0.000 1.183 262 D HN 0.689 nan 8.370 nan 0.000 0.458 263 T N 0.340 114.785 114.554 -0.181 0.000 3.051 263 T HA 0.016 4.366 4.350 0.001 0.000 0.269 263 T C 1.630 176.275 174.700 -0.092 0.000 1.127 263 T CA 0.690 62.476 62.100 -0.523 0.000 1.107 263 T CB -0.099 68.242 68.868 -0.879 0.000 0.898 263 T HN 0.377 nan 8.240 nan 0.000 0.517 264 G N -0.434 108.438 108.800 0.119 0.000 2.985 264 G HA2 0.150 4.110 3.960 0.001 0.000 0.209 264 G HA3 0.150 4.110 3.960 0.001 0.000 0.209 264 G C -0.061 175.106 174.900 0.444 0.000 1.165 264 G CA -0.652 44.633 45.100 0.307 0.000 0.776 264 G HN 0.499 nan 8.290 nan 0.000 0.541 265 W N 0.833 122.171 121.300 0.064 0.000 2.315 265 W HA 0.457 5.117 4.660 0.000 0.000 0.316 265 W C 1.078 177.545 176.519 -0.087 0.000 1.211 265 W CA -2.297 55.024 57.345 -0.040 0.000 1.201 265 W CB 0.784 30.135 29.460 -0.183 0.000 1.184 265 W HN -0.025 nan 8.180 nan 0.000 0.544 266 I N 5.048 125.509 120.570 -0.183 0.000 2.315 266 I HA -0.333 3.837 4.170 0.001 0.000 0.251 266 I C 2.182 177.960 176.117 -0.566 0.000 1.125 266 I CA 1.340 62.228 61.300 -0.688 0.000 1.392 266 I CB -0.122 37.391 38.000 -0.811 0.000 1.065 266 I HN 0.545 nan 8.210 nan 0.000 0.424 267 L N 0.966 121.613 121.223 -0.961 0.000 2.089 267 L HA -0.346 3.995 4.340 0.001 0.000 0.213 267 L C 2.107 178.703 176.870 -0.456 0.000 1.079 267 L CA 2.200 56.502 54.840 -0.896 0.000 0.758 267 L CB -1.131 39.999 42.059 -1.549 0.000 0.891 267 L HN 0.389 nan 8.230 nan 0.000 0.433 268 N N -0.887 117.617 118.700 -0.327 0.000 2.188 268 N HA -0.209 4.531 4.740 0.001 0.000 0.184 268 N C 1.915 177.351 175.510 -0.122 0.000 1.018 268 N CA 1.439 54.343 53.050 -0.245 0.000 0.858 268 N CB -0.034 38.200 38.487 -0.422 0.000 0.989 268 N HN 0.413 nan 8.380 nan 0.000 0.426 269 I N 1.158 121.727 120.570 -0.000 0.000 2.406 269 I HA -0.089 4.081 4.170 0.001 0.000 0.249 269 I C 1.983 178.050 176.117 -0.083 0.000 1.122 269 I CA 0.830 62.162 61.300 0.053 0.000 1.431 269 I CB -0.102 38.028 38.000 0.218 0.000 1.087 269 I HN 0.139 nan 8.210 nan 0.000 0.424 270 L N -1.237 119.903 121.223 -0.139 0.000 2.095 270 L HA -0.167 4.173 4.340 0.001 0.000 0.204 270 L C 2.491 179.322 176.870 -0.065 0.000 1.080 270 L CA 1.145 55.910 54.840 -0.126 0.000 0.759 270 L CB -0.421 41.539 42.059 -0.165 0.000 0.914 270 L HN 0.363 nan 8.230 nan 0.000 0.439 271 C N -2.175 117.070 119.300 -0.091 0.000 2.487 271 C HA 0.054 4.514 4.460 0.001 0.000 0.311 271 C C 3.171 178.120 174.990 -0.069 0.000 1.367 271 C CA 0.623 59.604 59.018 -0.061 0.000 1.865 271 C CB 0.378 28.067 27.740 -0.086 0.000 2.277 271 C HN 0.481 nan 8.230 nan 0.000 0.521 272 S N -0.357 115.313 115.700 -0.050 0.000 2.414 272 S HA 0.021 4.491 4.470 0.001 0.000 0.227 272 S C 1.571 176.172 174.600 0.001 0.000 1.022 272 S CA 1.374 59.605 58.200 0.052 0.000 0.958 272 S CB -0.138 63.186 63.200 0.207 0.000 0.797 272 S HN 0.644 nan 8.310 nan 0.000 0.493 273 L N -0.546 120.624 121.223 -0.087 0.000 2.453 273 L HA 0.405 4.745 4.340 0.001 0.000 0.190 273 L C 2.274 178.950 176.870 -0.324 0.000 1.093 273 L CA 0.506 55.148 54.840 -0.329 0.000 0.834 273 L CB -0.154 41.819 42.059 -0.144 0.000 1.090 273 L HN 0.262 nan 8.230 nan 0.000 0.489 274 M N -0.433 119.053 119.600 -0.190 0.000 2.236 274 M HA -0.110 4.370 4.480 0.001 0.000 0.266 274 M C 2.007 178.410 176.300 0.173 0.000 1.070 274 M CA 1.358 56.566 55.300 -0.154 0.000 1.137 274 M CB -0.106 32.254 32.600 -0.399 0.000 1.378 274 M HN 0.260 nan 8.290 nan 0.000 0.426 275 E N 1.314 121.569 120.200 0.091 0.000 2.012 275 E HA -0.159 4.191 4.350 0.001 0.000 0.197 275 E C -0.872 175.834 176.600 0.176 0.000 1.007 275 E CA 1.984 58.463 56.400 0.131 0.000 0.816 275 E CB -1.383 28.329 29.700 0.020 0.000 0.762 275 E HN 0.217 nan 8.360 nan 0.000 0.451 276 P HA -0.142 nan 4.420 nan 0.000 0.217 276 P C 0.856 178.445 177.300 0.481 0.000 1.150 276 P CA 1.391 64.615 63.100 0.206 0.000 0.832 276 P CB -0.309 31.458 31.700 0.111 0.000 0.787 277 W N 0.172 121.719 121.300 0.411 0.000 2.584 277 W HA 0.270 4.930 4.660 0.000 0.000 0.264 277 W C 2.549 179.410 176.519 0.570 0.000 1.264 277 W CA 0.165 57.844 57.345 0.557 0.000 1.306 277 W CB -1.791 28.102 29.460 0.722 0.000 1.110 277 W HN -0.001 nan 8.180 nan 0.000 0.606 278 A N 0.298 123.587 122.820 0.782 0.000 1.940 278 A HA -0.142 4.179 4.320 0.001 0.000 0.219 278 A C 1.978 179.901 177.584 0.565 0.000 1.176 278 A CA 1.446 53.853 52.037 0.618 0.000 0.631 278 A CB -0.804 18.503 19.000 0.511 0.000 0.814 278 A HN 0.252 nan 8.150 nan 0.000 0.446 279 L N -1.683 119.773 121.223 0.388 0.000 2.567 279 L HA 0.265 4.605 4.340 0.001 0.000 0.225 279 L C 1.606 178.356 176.870 -0.200 0.000 1.119 279 L CA 0.519 55.494 54.840 0.224 0.000 0.871 279 L CB 0.032 42.173 42.059 0.136 0.000 1.036 279 L HN 0.557 nan 8.230 nan 0.000 0.459 280 G N 0.239 108.650 108.800 -0.649 0.000 2.136 280 G HA2 -0.250 3.711 3.960 0.001 0.000 0.242 280 G HA3 -0.250 3.711 3.960 0.001 0.000 0.242 280 G C 0.319 174.957 174.900 -0.437 0.000 0.989 280 G CA 0.102 44.183 45.100 -1.698 0.000 0.682 280 G HN 0.494 nan 8.290 nan 0.000 0.522 281 A N -1.131 121.725 122.820 0.061 0.000 2.252 281 A HA 0.710 5.031 4.320 0.001 0.000 0.305 281 A C 0.919 178.761 177.584 0.429 0.000 1.097 281 A CA 0.285 52.449 52.037 0.212 0.000 0.849 281 A CB 0.963 20.051 19.000 0.147 0.000 1.142 281 A HN 1.525 nan 8.150 nan 0.000 0.499 282 C N 0.544 120.026 119.300 0.303 0.000 2.435 282 C HA 0.622 5.083 4.460 0.001 0.000 0.375 282 C C 0.954 176.113 174.990 0.282 0.000 1.281 282 C CA 0.094 59.297 59.018 0.307 0.000 1.963 282 C CB -0.428 27.473 27.740 0.269 0.000 2.490 282 C HN 0.851 nan 8.230 nan 0.000 0.557 283 T N 4.990 119.715 114.554 0.286 0.000 2.845 283 T HA 0.483 4.833 4.350 0.001 0.000 0.288 283 T C -0.883 173.897 174.700 0.133 0.000 0.980 283 T CA -0.211 61.965 62.100 0.127 0.000 1.071 283 T CB 0.224 69.030 68.868 -0.105 0.000 0.941 283 T HN 0.550 nan 8.240 nan 0.000 0.487 284 F N 5.552 125.471 119.950 -0.052 0.000 2.436 284 F HA 0.659 5.186 4.527 0.001 0.000 0.340 284 F C -0.915 174.735 175.800 -0.249 0.000 1.113 284 F CA -0.608 57.251 58.000 -0.234 0.000 1.022 284 F CB 1.161 39.908 39.000 -0.422 0.000 1.128 284 F HN 0.289 nan 8.300 nan 0.000 0.466 285 V N 5.975 125.392 119.914 -0.827 0.000 2.483 285 V HA 0.273 4.393 4.120 0.001 0.000 0.297 285 V C -0.881 174.748 176.094 -0.775 0.000 1.027 285 V CA -0.750 61.255 62.300 -0.491 0.000 0.855 285 V CB 1.315 32.913 31.823 -0.375 0.000 0.995 285 V HN 0.685 nan 8.190 nan 0.000 0.424 286 H N 4.039 122.806 119.070 -0.504 0.000 2.459 286 H HA 0.372 4.929 4.556 0.000 0.000 0.332 286 H C 0.486 175.734 175.328 -0.134 0.000 1.094 286 H CA -0.614 55.133 56.048 -0.501 0.000 1.224 286 H CB 2.171 31.733 29.762 -0.334 0.000 1.449 286 H HN 0.612 nan 8.280 nan 0.000 0.484 287 L N 5.582 126.800 121.223 -0.009 0.000 2.081 287 L HA -0.104 4.236 4.340 0.001 0.000 0.212 287 L C 1.225 178.294 176.870 0.332 0.000 1.080 287 L CA 1.296 56.289 54.840 0.255 0.000 0.754 287 L CB -0.573 41.604 42.059 0.197 0.000 0.893 287 L HN 0.873 nan 8.230 nan 0.000 0.433 288 L N 0.055 121.556 121.223 0.463 0.000 3.879 288 L HA -0.233 4.107 4.340 0.001 0.000 0.481 288 L C -1.147 175.848 176.870 0.207 0.000 1.232 288 L CA -0.017 54.949 54.840 0.209 0.000 0.736 288 L CB -1.083 41.092 42.059 0.193 0.000 1.511 288 L HN 0.345 nan 8.230 nan 0.000 0.830 289 P HA -0.187 nan 4.420 nan 0.000 0.217 289 P C 1.244 178.630 177.300 0.143 0.000 1.148 289 P CA 1.413 64.605 63.100 0.154 0.000 0.828 289 P CB 0.152 31.929 31.700 0.129 0.000 0.783 290 K N -2.687 117.798 120.400 0.141 0.000 2.380 290 K HA 0.200 4.520 4.320 0.001 0.000 0.198 290 K C 0.410 177.145 176.600 0.224 0.000 1.070 290 K CA -0.455 55.916 56.287 0.140 0.000 1.040 290 K CB -0.956 31.598 32.500 0.091 0.000 0.903 290 K HN 0.106 nan 8.250 nan 0.000 0.549 291 F N 2.171 122.129 119.950 0.014 0.000 2.985 291 F HA -0.216 4.311 4.527 0.001 0.000 0.303 291 F C -0.588 175.205 175.800 -0.012 0.000 0.976 291 F CA 0.475 58.473 58.000 -0.003 0.000 1.013 291 F CB -1.106 37.903 39.000 0.015 0.000 1.060 291 F HN 0.147 nan 8.300 nan 0.000 0.780 292 D N 3.010 123.321 120.400 -0.149 0.000 2.280 292 D HA 0.262 4.902 4.640 0.001 0.000 0.243 292 D C -1.252 174.911 176.300 -0.230 0.000 1.129 292 D CA -1.542 52.380 54.000 -0.130 0.000 0.848 292 D CB 1.493 42.258 40.800 -0.058 0.000 1.107 292 D HN 0.098 nan 8.370 nan 0.000 0.471 293 P HA -0.162 nan 4.420 nan 0.000 0.217 293 P C 1.632 178.860 177.300 -0.119 0.000 1.150 293 P CA 0.226 63.208 63.100 -0.196 0.000 0.832 293 P CB 0.529 32.163 31.700 -0.111 0.000 0.787 294 L N 0.094 121.269 121.223 -0.081 0.000 2.083 294 L HA -0.091 4.249 4.340 0.001 0.000 0.209 294 L C 2.416 179.216 176.870 -0.117 0.000 1.083 294 L CA 1.602 56.398 54.840 -0.073 0.000 0.752 294 L CB -1.400 40.640 42.059 -0.032 0.000 0.899 294 L HN -0.212 nan 8.230 nan 0.000 0.433 295 V N -0.372 119.479 119.914 -0.106 0.000 2.358 295 V HA -0.287 3.834 4.120 0.001 0.000 0.246 295 V C 2.534 178.572 176.094 -0.092 0.000 1.047 295 V CA 1.927 64.166 62.300 -0.102 0.000 1.035 295 V CB -0.452 31.300 31.823 -0.118 0.000 0.658 295 V HN 0.369 nan 8.190 nan 0.000 0.452 296 I N -0.356 120.156 120.570 -0.096 0.000 2.208 296 I HA -0.271 3.899 4.170 0.001 0.000 0.245 296 I C 2.412 178.577 176.117 0.080 0.000 1.097 296 I CA 1.600 62.924 61.300 0.039 0.000 1.363 296 I CB -0.366 37.529 38.000 -0.176 0.000 1.051 296 I HN 0.319 nan 8.210 nan 0.000 0.413 297 L N 0.901 122.120 121.223 -0.007 0.000 2.056 297 L HA -0.182 4.158 4.340 0.001 0.000 0.207 297 L C 2.392 179.228 176.870 -0.057 0.000 1.078 297 L CA 1.879 56.741 54.840 0.037 0.000 0.749 297 L CB -0.554 41.515 42.059 0.017 0.000 0.901 297 L HN 0.038 nan 8.230 nan 0.000 0.433 298 K N -1.160 119.094 120.400 -0.243 0.000 2.097 298 K HA -0.135 4.186 4.320 0.001 0.000 0.206 298 K C 1.890 178.471 176.600 -0.033 0.000 1.049 298 K CA 1.886 57.999 56.287 -0.290 0.000 0.933 298 K CB -0.358 31.971 32.500 -0.285 0.000 0.717 298 K HN 0.409 nan 8.250 nan 0.000 0.442 299 T N 1.881 116.457 114.554 0.036 0.000 2.746 299 T HA -0.086 4.264 4.350 0.001 0.000 0.267 299 T C 1.838 176.568 174.700 0.051 0.000 1.039 299 T CA 0.973 63.120 62.100 0.078 0.000 1.142 299 T CB -0.158 68.651 68.868 -0.099 0.000 0.866 299 T HN 0.105 nan 8.240 nan 0.000 0.444 300 L N 0.715 122.014 121.223 0.126 0.000 2.083 300 L HA -0.095 4.246 4.340 0.001 0.000 0.209 300 L C 2.821 179.875 176.870 0.307 0.000 1.083 300 L CA 0.996 55.910 54.840 0.124 0.000 0.752 300 L CB -0.456 41.586 42.059 -0.029 0.000 0.899 300 L HN 0.259 nan 8.230 nan 0.000 0.433 301 S N -1.275 114.627 115.700 0.336 0.000 2.414 301 S HA -0.091 4.379 4.470 0.001 0.000 0.227 301 S C 2.068 176.820 174.600 0.253 0.000 1.022 301 S CA 1.352 59.771 58.200 0.365 0.000 0.958 301 S CB 0.081 63.457 63.200 0.292 0.000 0.797 301 S HN 0.373 nan 8.310 nan 0.000 0.493 302 S N -0.415 115.338 115.700 0.089 0.000 2.478 302 S HA 0.286 4.756 4.470 0.001 0.000 0.222 302 S C -0.342 174.047 174.600 -0.353 0.000 1.008 302 S CA 0.075 58.197 58.200 -0.131 0.000 0.928 302 S CB 0.024 63.077 63.200 -0.246 0.000 0.781 302 S HN 0.543 nan 8.310 nan 0.000 0.518 303 Y N 1.130 121.281 120.300 -0.248 0.000 2.468 303 Y HA 0.394 4.944 4.550 0.001 0.000 0.342 303 Y C -2.416 173.142 175.900 -0.571 0.000 1.021 303 Y CA -2.606 55.223 58.100 -0.452 0.000 1.079 303 Y CB 1.059 39.014 38.460 -0.841 0.000 1.226 303 Y HN -0.129 nan 8.280 nan 0.000 0.460 304 P HA 0.060 nan 4.420 nan 0.000 0.225 304 P C -0.582 176.567 177.300 -0.252 0.000 1.768 304 P CA 0.208 63.011 63.100 -0.494 0.000 0.943 304 P CB -0.518 31.067 31.700 -0.191 0.000 1.936 305 I N 1.477 121.902 120.570 -0.242 0.000 2.517 305 I HA 0.095 4.265 4.170 0.001 0.000 0.285 305 I C 1.621 177.767 176.117 0.048 0.000 1.106 305 I CA 0.135 61.351 61.300 -0.140 0.000 1.402 305 I CB 0.413 38.305 38.000 -0.180 0.000 1.399 305 I HN 0.085 nan 8.210 nan 0.000 0.535 306 K N 3.319 123.744 120.400 0.043 0.000 2.202 306 K HA 0.142 4.462 4.320 0.001 0.000 0.201 306 K C 0.241 176.871 176.600 0.050 0.000 1.051 306 K CA 0.646 56.978 56.287 0.074 0.000 0.977 306 K CB 0.446 32.985 32.500 0.065 0.000 0.792 306 K HN 0.656 nan 8.250 nan 0.000 0.469 307 S N 0.484 116.200 115.700 0.026 0.000 2.536 307 S HA 0.545 5.016 4.470 0.001 0.000 0.298 307 S C -0.728 173.871 174.600 -0.001 0.000 1.083 307 S CA -0.985 57.214 58.200 -0.002 0.000 0.995 307 S CB 1.758 64.933 63.200 -0.040 0.000 1.058 307 S HN 0.281 nan 8.310 nan 0.000 0.488 308 M N 1.244 120.826 119.600 -0.029 0.000 2.501 308 M HA 0.846 5.327 4.480 0.001 0.000 0.293 308 M C -1.246 174.987 176.300 -0.110 0.000 1.192 308 M CA -0.904 54.351 55.300 -0.074 0.000 0.886 308 M CB 2.035 34.562 32.600 -0.122 0.000 1.710 308 M HN 0.581 nan 8.290 nan 0.000 0.457 309 M N 2.375 121.866 119.600 -0.181 0.000 2.395 309 M HA 0.937 5.417 4.480 0.001 0.000 0.307 309 M C -1.206 174.945 176.300 -0.248 0.000 1.091 309 M CA 0.043 55.248 55.300 -0.158 0.000 0.919 309 M CB 2.325 34.832 32.600 -0.155 0.000 1.662 309 M HN 0.992 nan 8.290 nan 0.000 0.440 310 G N 2.225 110.919 108.800 -0.178 0.000 2.601 310 G HA2 0.734 4.694 3.960 0.001 0.000 0.291 310 G HA3 0.734 4.694 3.960 0.001 0.000 0.291 310 G C -1.737 173.147 174.900 -0.027 0.000 1.456 310 G CA -0.424 44.553 45.100 -0.204 0.000 0.804 310 G HN 1.066 nan 8.290 nan 0.000 0.499 311 A N 0.623 123.469 122.820 0.044 0.000 2.466 311 A HA 0.581 4.901 4.320 0.001 0.000 0.238 311 A C -0.878 176.751 177.584 0.075 0.000 1.074 311 A CA -0.465 51.633 52.037 0.102 0.000 0.774 311 A CB 0.183 19.228 19.000 0.075 0.000 1.015 311 A HN 0.371 nan 8.150 nan 0.000 0.498 312 P HA -0.198 nan 4.420 nan 0.000 0.217 312 P C 1.373 178.730 177.300 0.096 0.000 1.148 312 P CA 1.028 64.209 63.100 0.135 0.000 0.834 312 P CB 0.007 31.747 31.700 0.067 0.000 0.783 313 I N -0.857 119.747 120.570 0.056 0.000 2.335 313 I HA -0.194 3.976 4.170 0.001 0.000 0.251 313 I C 1.954 178.091 176.117 0.034 0.000 1.129 313 I CA 1.435 62.772 61.300 0.062 0.000 1.402 313 I CB -0.749 37.300 38.000 0.081 0.000 1.069 313 I HN -0.211 nan 8.210 nan 0.000 0.424 314 V N -0.080 119.802 119.914 -0.053 0.000 2.295 314 V HA -0.322 3.799 4.120 0.001 0.000 0.246 314 V C 2.258 178.167 176.094 -0.309 0.000 1.049 314 V CA 2.126 64.278 62.300 -0.247 0.000 1.024 314 V CB -0.956 30.582 31.823 -0.475 0.000 0.648 314 V HN 0.389 nan 8.190 nan 0.000 0.447 315 Y N 0.396 120.575 120.300 -0.202 0.000 2.242 315 Y HA -0.140 4.410 4.550 0.000 0.000 0.291 315 Y C 2.660 178.541 175.900 -0.032 0.000 1.137 315 Y CA 1.333 59.271 58.100 -0.270 0.000 1.181 315 Y CB -0.485 37.681 38.460 -0.490 0.000 0.989 315 Y HN 0.114 nan 8.280 nan 0.000 0.527 316 R N -0.462 120.117 120.500 0.130 0.000 2.081 316 R HA -0.184 4.156 4.340 0.001 0.000 0.235 316 R C 2.208 178.571 176.300 0.105 0.000 1.131 316 R CA 1.884 58.058 56.100 0.123 0.000 0.960 316 R CB -0.458 29.896 30.300 0.091 0.000 0.856 316 R HN 0.378 nan 8.270 nan 0.000 0.436 317 M N 0.440 120.076 119.600 0.059 0.000 2.117 317 M HA -0.162 4.319 4.480 0.001 0.000 0.262 317 M C 2.216 178.551 176.300 0.058 0.000 1.065 317 M CA 1.590 56.910 55.300 0.034 0.000 1.114 317 M CB -0.224 32.357 32.600 -0.032 0.000 1.361 317 M HN 0.128 nan 8.290 nan 0.000 0.408 318 L N -0.198 121.078 121.223 0.087 0.000 2.083 318 L HA -0.212 4.129 4.340 0.001 0.000 0.209 318 L C 2.248 179.266 176.870 0.247 0.000 1.083 318 L CA 1.075 56.029 54.840 0.189 0.000 0.752 318 L CB -0.614 41.651 42.059 0.343 0.000 0.899 318 L HN 0.341 nan 8.230 nan 0.000 0.433 319 L N -0.775 120.613 121.223 0.275 0.000 2.275 319 L HA -0.170 4.170 4.340 0.001 0.000 0.215 319 L C 2.503 179.454 176.870 0.136 0.000 1.119 319 L CA 0.638 55.616 54.840 0.231 0.000 0.790 319 L CB -0.355 41.853 42.059 0.248 0.000 0.919 319 L HN 0.319 nan 8.230 nan 0.000 0.443 320 Q N -0.499 119.368 119.800 0.112 0.000 2.435 320 Q HA 0.027 4.368 4.340 0.001 0.000 0.207 320 Q C 0.640 176.683 176.000 0.072 0.000 0.956 320 Q CA 0.548 56.397 55.803 0.078 0.000 0.917 320 Q CB 0.074 28.851 28.738 0.064 0.000 0.997 320 Q HN 0.462 nan 8.270 nan 0.000 0.497 321 Q N 0.549 120.402 119.800 0.088 0.000 2.318 321 Q HA 0.103 4.444 4.340 0.001 0.000 0.222 321 Q C -0.308 175.745 176.000 0.087 0.000 1.003 321 Q CA -0.128 55.729 55.803 0.090 0.000 0.936 321 Q CB 0.380 29.181 28.738 0.106 0.000 1.204 321 Q HN -0.008 nan 8.270 nan 0.000 0.524 322 D N 1.593 122.051 120.400 0.096 0.000 2.416 322 D HA 0.091 4.732 4.640 0.001 0.000 0.240 322 D C 0.775 177.123 176.300 0.080 0.000 1.250 322 D CA 0.171 54.209 54.000 0.064 0.000 0.967 322 D CB 0.269 41.092 40.800 0.038 0.000 1.059 322 D HN 0.351 nan 8.370 nan 0.000 0.512 323 L N 1.560 122.799 121.223 0.027 0.000 2.313 323 L HA -0.115 4.226 4.340 0.001 0.000 0.214 323 L C 2.291 179.084 176.870 -0.128 0.000 1.119 323 L CA 0.545 55.369 54.840 -0.027 0.000 0.809 323 L CB -0.121 41.894 42.059 -0.073 0.000 0.933 323 L HN 0.276 nan 8.230 nan 0.000 0.449 324 S N -2.032 113.599 115.700 -0.115 0.000 2.489 324 S HA -0.048 4.423 4.470 0.001 0.000 0.228 324 S C 2.000 176.496 174.600 -0.172 0.000 0.995 324 S CA 0.677 58.788 58.200 -0.149 0.000 0.934 324 S CB 0.036 63.166 63.200 -0.116 0.000 0.771 324 S HN 0.247 nan 8.310 nan 0.000 0.522 325 S N 0.561 116.150 115.700 -0.185 0.000 2.355 325 S HA 0.066 4.536 4.470 0.001 0.000 0.222 325 S C -0.216 174.135 174.600 -0.416 0.000 1.031 325 S CA 0.821 58.810 58.200 -0.351 0.000 0.993 325 S CB -0.346 62.551 63.200 -0.505 0.000 0.859 325 S HN 0.667 nan 8.310 nan 0.000 0.453 326 Y N 2.113 122.338 120.300 -0.125 0.000 2.721 326 Y HA 0.413 4.963 4.550 0.001 0.000 0.328 326 Y C 0.219 175.936 175.900 -0.304 0.000 1.003 326 Y CA -1.020 57.005 58.100 -0.124 0.000 1.275 326 Y CB 0.471 38.915 38.460 -0.026 0.000 1.097 326 Y HN -0.160 nan 8.280 nan 0.000 0.514 327 K N 2.495 122.780 120.400 -0.192 0.000 2.138 327 K HA 0.374 4.694 4.320 0.001 0.000 0.251 327 K C -0.560 175.829 176.600 -0.352 0.000 1.015 327 K CA -0.388 55.647 56.287 -0.420 0.000 0.917 327 K CB 0.567 32.913 32.500 -0.256 0.000 1.021 327 K HN 0.579 nan 8.250 nan 0.000 0.485 328 F N -1.432 118.415 119.950 -0.172 0.000 2.706 328 F HA 0.279 4.806 4.527 0.001 0.000 0.365 328 F C -2.105 173.342 175.800 -0.588 0.000 1.469 328 F CA -2.139 55.606 58.000 -0.424 0.000 1.110 328 F CB 0.207 39.082 39.000 -0.207 0.000 1.893 328 F HN 0.284 nan 8.300 nan 0.000 0.573 329 P HA -0.220 nan 4.420 nan 0.000 0.219 329 P C 1.423 178.676 177.300 -0.079 0.000 1.146 329 P CA 1.916 64.936 63.100 -0.133 0.000 0.808 329 P CB -0.252 31.406 31.700 -0.070 0.000 0.779 330 H N -1.254 117.889 119.070 0.122 0.000 2.491 330 H HA 0.019 4.575 4.556 0.000 0.000 0.290 330 H C 0.913 176.292 175.328 0.085 0.000 1.050 330 H CA -0.148 55.953 56.048 0.089 0.000 1.309 330 H CB -0.804 29.000 29.762 0.070 0.000 1.392 330 H HN 0.110 nan 8.280 nan 0.000 0.554 331 L N 2.634 123.924 121.223 0.112 0.000 2.418 331 L HA 0.018 4.358 4.340 0.001 0.000 0.274 331 L C 0.883 177.818 176.870 0.109 0.000 1.135 331 L CA 0.459 55.364 54.840 0.108 0.000 0.870 331 L CB 1.004 43.072 42.059 0.016 0.000 1.154 331 L HN 0.158 nan 8.230 nan 0.000 0.462 332 Q N 2.404 122.261 119.800 0.095 0.000 2.532 332 Q HA 0.293 4.633 4.340 0.001 0.000 0.247 332 Q C -0.358 175.689 176.000 0.080 0.000 0.872 332 Q CA 0.155 56.009 55.803 0.085 0.000 0.963 332 Q CB 0.635 29.415 28.738 0.069 0.000 1.159 332 Q HN 0.624 nan 8.270 nan 0.000 0.598 333 N N 0.435 119.169 118.700 0.056 0.000 2.443 333 N HA 0.294 5.034 4.740 0.001 0.000 0.269 333 N C -1.473 174.052 175.510 0.025 0.000 0.985 333 N CA -0.147 52.919 53.050 0.027 0.000 0.921 333 N CB 1.851 40.325 38.487 -0.022 0.000 1.195 333 N HN 0.095 nan 8.380 nan 0.000 0.492 334 C N 2.345 121.665 119.300 0.034 0.000 2.321 334 C HA 0.517 4.977 4.460 0.001 0.000 0.323 334 C C 0.805 175.755 174.990 -0.067 0.000 1.191 334 C CA -0.970 58.058 59.018 0.017 0.000 1.455 334 C CB -0.337 27.411 27.740 0.014 0.000 2.083 334 C HN 0.519 nan 8.230 nan 0.000 0.442 335 V N 1.253 121.150 119.914 -0.029 0.000 2.994 335 V HA 0.979 5.099 4.120 0.001 0.000 0.318 335 V C -0.288 175.843 176.094 0.061 0.000 1.085 335 V CA -0.153 62.138 62.300 -0.016 0.000 0.998 335 V CB 1.876 33.668 31.823 -0.053 0.000 1.063 335 V HN 0.718 nan 8.190 nan 0.000 0.447 336 T N 0.367 114.971 114.554 0.083 0.000 2.868 336 T HA 0.729 5.080 4.350 0.001 0.000 0.306 336 T C -1.551 173.217 174.700 0.113 0.000 1.224 336 T CA 0.114 62.286 62.100 0.119 0.000 1.012 336 T CB 1.739 70.657 68.868 0.084 0.000 1.221 336 T HN 1.665 nan 8.240 nan 0.000 0.499 337 V N 1.332 121.310 119.914 0.105 0.000 3.282 337 V HA 0.707 4.828 4.120 0.001 0.000 0.295 337 V C 0.695 176.898 176.094 0.181 0.000 1.451 337 V CA 0.871 63.231 62.300 0.100 0.000 1.062 337 V CB 1.550 33.391 31.823 0.029 0.000 1.128 337 V HN 1.650 nan 8.190 nan 0.000 0.456 338 G N 2.278 111.184 108.800 0.177 0.000 2.259 338 G HA2 -0.122 3.838 3.960 0.001 0.000 0.217 338 G HA3 -0.122 3.838 3.960 0.001 0.000 0.217 338 G C 0.048 174.953 174.900 0.009 0.000 1.001 338 G CA 0.573 45.806 45.100 0.222 0.000 0.627 338 G HN 1.106 nan 8.290 nan 0.000 0.501 339 E N -0.378 119.810 120.200 -0.019 0.000 2.423 339 E HA 0.537 4.888 4.350 0.001 0.000 0.280 339 E C -0.904 175.631 176.600 -0.109 0.000 1.030 339 E CA -0.240 56.103 56.400 -0.095 0.000 0.812 339 E CB 1.534 31.204 29.700 -0.050 0.000 1.313 339 E HN 0.183 nan 8.360 nan 0.000 0.456 340 S N 1.479 117.083 115.700 -0.159 0.000 2.510 340 S HA 0.187 4.657 4.470 0.001 0.000 0.279 340 S C -0.399 174.190 174.600 -0.018 0.000 1.284 340 S CA -0.497 57.638 58.200 -0.108 0.000 1.059 340 S CB 0.053 63.206 63.200 -0.077 0.000 0.901 340 S HN 0.361 nan 8.310 nan 0.000 0.491 341 L N 7.658 128.881 121.223 -0.000 0.000 2.283 341 L HA 0.431 4.771 4.340 0.001 0.000 0.287 341 L C -0.543 176.343 176.870 0.025 0.000 1.073 341 L CA 0.080 54.925 54.840 0.009 0.000 0.822 341 L CB 0.047 42.099 42.059 -0.011 0.000 1.186 341 L HN 0.637 nan 8.230 nan 0.000 0.436 342 L N 8.200 129.443 121.223 0.034 0.000 2.453 342 L HA 0.137 4.478 4.340 0.001 0.000 0.272 342 L C -1.035 175.863 176.870 0.047 0.000 1.182 342 L CA -1.272 53.595 54.840 0.046 0.000 0.858 342 L CB 0.278 42.368 42.059 0.052 0.000 1.120 342 L HN 0.535 nan 8.230 nan 0.000 0.474 343 P HA -0.241 nan 4.420 nan 0.000 0.216 343 P C 1.285 178.621 177.300 0.059 0.000 1.154 343 P CA 1.184 64.319 63.100 0.059 0.000 0.865 343 P CB 0.175 31.912 31.700 0.061 0.000 0.789 344 E N -0.961 119.273 120.200 0.057 0.000 2.118 344 E HA -0.161 4.189 4.350 0.001 0.000 0.195 344 E C 1.501 178.147 176.600 0.076 0.000 0.992 344 E CA 1.651 58.088 56.400 0.061 0.000 0.804 344 E CB -0.278 29.455 29.700 0.056 0.000 0.741 344 E HN 0.194 nan 8.360 nan 0.000 0.458 345 T N 1.560 116.158 114.554 0.074 0.000 2.737 345 T HA -0.148 4.203 4.350 0.001 0.000 0.265 345 T C 1.813 176.577 174.700 0.107 0.000 1.038 345 T CA 0.992 63.148 62.100 0.093 0.000 1.144 345 T CB -0.300 68.604 68.868 0.060 0.000 0.866 345 T HN 0.111 nan 8.240 nan 0.000 0.434 346 L N 1.607 122.868 121.223 0.062 0.000 1.990 346 L HA -0.104 4.236 4.340 0.001 0.000 0.213 346 L C 2.467 179.412 176.870 0.124 0.000 1.072 346 L CA 2.018 56.899 54.840 0.069 0.000 0.755 346 L CB -0.724 41.362 42.059 0.045 0.000 0.889 346 L HN 0.307 nan 8.230 nan 0.000 0.432 347 E N -0.868 119.390 120.200 0.097 0.000 2.058 347 E HA -0.256 4.094 4.350 0.001 0.000 0.194 347 E C 1.977 178.636 176.600 0.099 0.000 0.997 347 E CA 1.558 58.009 56.400 0.085 0.000 0.801 347 E CB -0.172 29.567 29.700 0.064 0.000 0.746 347 E HN 0.645 nan 8.360 nan 0.000 0.450 348 N N 0.127 118.900 118.700 0.122 0.000 2.142 348 N HA -0.170 4.570 4.740 0.001 0.000 0.186 348 N C 1.692 177.297 175.510 0.158 0.000 1.023 348 N CA 0.971 54.095 53.050 0.123 0.000 0.852 348 N CB -0.395 38.173 38.487 0.135 0.000 0.998 348 N HN 0.425 nan 8.380 nan 0.000 0.424 349 W N 2.649 123.967 121.300 0.032 0.000 2.335 349 W HA -0.177 4.484 4.660 0.001 0.000 0.311 349 W C 2.110 178.652 176.519 0.038 0.000 1.213 349 W CA 1.208 58.578 57.345 0.043 0.000 1.274 349 W CB -0.163 29.293 29.460 -0.007 0.000 1.148 349 W HN 0.085 nan 8.180 nan 0.000 0.498 350 R N 0.079 120.670 120.500 0.151 0.000 2.080 350 R HA -0.173 4.167 4.340 0.001 0.000 0.236 350 R C 2.565 178.850 176.300 -0.026 0.000 1.137 350 R CA 2.201 58.332 56.100 0.051 0.000 0.943 350 R CB -0.971 29.375 30.300 0.076 0.000 0.846 350 R HN 0.140 nan 8.270 nan 0.000 0.431 351 A N 0.647 123.461 122.820 -0.011 0.000 1.908 351 A HA -0.200 4.120 4.320 0.001 0.000 0.218 351 A C 2.016 179.550 177.584 -0.082 0.000 1.181 351 A CA 1.311 53.328 52.037 -0.032 0.000 0.627 351 A CB -0.303 18.691 19.000 -0.010 0.000 0.818 351 A HN 0.280 nan 8.150 nan 0.000 0.445 352 Q N -1.228 118.497 119.800 -0.125 0.000 2.163 352 Q HA -0.067 4.273 4.340 0.001 0.000 0.198 352 Q C 2.077 177.906 176.000 -0.285 0.000 0.954 352 Q CA 1.890 57.581 55.803 -0.186 0.000 0.851 352 Q CB -0.228 28.401 28.738 -0.183 0.000 0.928 352 Q HN 0.853 nan 8.270 nan 0.000 0.459 353 T N -4.552 109.768 114.554 -0.390 0.000 2.985 353 T HA 0.307 4.657 4.350 0.001 0.000 0.254 353 T C 1.356 175.935 174.700 -0.200 0.000 1.021 353 T CA 0.774 62.639 62.100 -0.392 0.000 0.957 353 T CB 0.722 69.164 68.868 -0.709 0.000 1.047 353 T HN 0.362 nan 8.240 nan 0.000 0.511 354 G N 1.476 110.188 108.800 -0.147 0.000 2.168 354 G HA2 -0.214 3.746 3.960 0.001 0.000 0.263 354 G HA3 -0.214 3.746 3.960 0.001 0.000 0.263 354 G C -0.094 174.806 174.900 -0.000 0.000 0.977 354 G CA 0.585 45.651 45.100 -0.057 0.000 0.659 354 G HN 0.660 nan 8.290 nan 0.000 0.533 355 L N 0.391 121.622 121.223 0.013 0.000 2.334 355 L HA 0.539 4.879 4.340 0.001 0.000 0.272 355 L C -0.153 176.866 176.870 0.249 0.000 1.020 355 L CA -1.263 53.667 54.840 0.151 0.000 0.812 355 L CB 1.130 43.353 42.059 0.272 0.000 1.264 355 L HN -0.071 nan 8.230 nan 0.000 0.439 356 D N 1.811 122.327 120.400 0.194 0.000 2.304 356 D HA 0.398 5.039 4.640 0.001 0.000 0.247 356 D C -0.263 176.102 176.300 0.107 0.000 1.089 356 D CA 0.118 54.209 54.000 0.152 0.000 0.910 356 D CB 1.836 42.691 40.800 0.092 0.000 1.199 356 D HN 0.216 nan 8.370 nan 0.000 0.426 357 I N 2.071 122.627 120.570 -0.024 0.000 2.339 357 I HA 0.242 4.412 4.170 0.001 0.000 0.290 357 I C 0.519 176.571 176.117 -0.109 0.000 0.994 357 I CA -0.568 60.580 61.300 -0.252 0.000 1.191 357 I CB 1.093 38.744 38.000 -0.582 0.000 1.343 357 I HN -0.045 nan 8.210 nan 0.000 0.458 358 R N 5.451 125.915 120.500 -0.060 0.000 2.215 358 R HA 0.267 4.607 4.340 0.001 0.000 0.336 358 R C -0.212 176.129 176.300 0.068 0.000 0.996 358 R CA -0.520 55.603 56.100 0.039 0.000 0.847 358 R CB 1.438 31.788 30.300 0.083 0.000 1.127 358 R HN 0.596 nan 8.270 nan 0.000 0.465 359 E N 1.944 122.192 120.200 0.079 0.000 2.366 359 E HA 0.136 4.486 4.350 0.001 0.000 0.266 359 E C -0.593 176.087 176.600 0.134 0.000 1.051 359 E CA -0.181 56.273 56.400 0.091 0.000 0.884 359 E CB 0.897 30.647 29.700 0.083 0.000 1.006 359 E HN 0.624 nan 8.360 nan 0.000 0.417 360 S N 2.686 118.461 115.700 0.125 0.000 2.661 360 S HA 0.541 5.011 4.470 0.001 0.000 0.285 360 S C -1.360 173.302 174.600 0.102 0.000 1.138 360 S CA -0.858 57.383 58.200 0.069 0.000 0.855 360 S CB 1.349 64.542 63.200 -0.013 0.000 1.136 360 S HN 0.584 nan 8.310 nan 0.000 0.484 361 Y N -0.437 119.804 120.300 -0.100 0.000 2.534 361 Y HA 0.747 5.297 4.550 0.000 0.000 0.345 361 Y C -0.299 175.546 175.900 -0.092 0.000 1.031 361 Y CA 0.341 58.397 58.100 -0.073 0.000 1.022 361 Y CB 1.478 39.912 38.460 -0.042 0.000 1.292 361 Y HN 1.383 nan 8.280 nan 0.000 0.459 362 G N 3.543 111.857 108.800 -0.810 0.000 2.342 362 G HA2 0.491 4.452 3.960 0.001 0.000 0.297 362 G HA3 0.491 4.452 3.960 0.001 0.000 0.297 362 G C -2.306 172.290 174.900 -0.506 0.000 1.313 362 G CA -0.600 44.078 45.100 -0.703 0.000 0.830 362 G HN 0.941 nan 8.290 nan 0.000 0.506 363 Q N -2.053 117.570 119.800 -0.294 0.000 2.626 363 Q HA 0.614 4.955 4.340 0.001 0.000 0.300 363 Q C 0.338 176.278 176.000 -0.100 0.000 0.988 363 Q CA -0.170 55.556 55.803 -0.130 0.000 0.761 363 Q CB 1.055 29.753 28.738 -0.067 0.000 1.494 363 Q HN 0.334 nan 8.270 nan 0.000 0.439 364 T N 0.477 115.008 114.554 -0.037 0.000 2.759 364 T HA -0.173 4.178 4.350 0.001 0.000 0.269 364 T C 0.972 175.627 174.700 -0.075 0.000 1.042 364 T CA 2.257 64.333 62.100 -0.040 0.000 1.140 364 T CB -0.153 68.745 68.868 0.050 0.000 0.864 364 T HN 0.593 nan 8.240 nan 0.000 0.455 365 E N 0.624 120.639 120.200 -0.309 0.000 2.274 365 E HA -0.038 4.313 4.350 0.001 0.000 0.194 365 E C 2.288 178.508 176.600 -0.633 0.000 0.996 365 E CA 1.355 57.183 56.400 -0.955 0.000 0.840 365 E CB -0.069 28.937 29.700 -1.158 0.000 0.772 365 E HN 0.710 nan 8.360 nan 0.000 0.491 366 T N -4.153 110.237 114.554 -0.274 0.000 3.016 366 T HA 0.429 4.779 4.350 0.001 0.000 0.271 366 T C 1.156 175.857 174.700 0.001 0.000 0.968 366 T CA 0.088 62.090 62.100 -0.164 0.000 0.891 366 T CB 0.238 68.995 68.868 -0.185 0.000 1.149 366 T HN 0.226 nan 8.240 nan 0.000 0.524 367 G N 2.213 110.972 108.800 -0.068 0.000 2.598 367 G HA2 -0.223 3.737 3.960 0.001 0.000 0.269 367 G HA3 -0.223 3.737 3.960 0.001 0.000 0.269 367 G C -0.218 174.582 174.900 -0.167 0.000 1.289 367 G CA -0.177 44.838 45.100 -0.141 0.000 0.926 367 G HN 0.958 nan 8.290 nan 0.000 0.567 368 L N 1.249 122.321 121.223 -0.251 0.000 2.638 368 L HA 0.421 4.762 4.340 0.001 0.000 0.273 368 L C 1.701 178.408 176.870 -0.273 0.000 1.147 368 L CA 1.768 56.389 54.840 -0.364 0.000 0.941 368 L CB 0.371 42.075 42.059 -0.590 0.000 1.251 368 L HN 0.677 nan 8.230 nan 0.000 0.479 369 T N 2.283 116.743 114.554 -0.157 0.000 3.045 369 T HA 0.186 4.536 4.350 0.001 0.000 0.239 369 T C 0.256 174.961 174.700 0.009 0.000 1.008 369 T CA 0.316 62.462 62.100 0.077 0.000 1.143 369 T CB 0.146 69.032 68.868 0.031 0.000 0.894 369 T HN 0.570 nan 8.240 nan 0.000 0.451 370 C N 2.619 121.912 119.300 -0.012 0.000 2.898 370 C HA 0.930 5.391 4.460 0.001 0.000 0.304 370 C C -0.506 174.426 174.990 -0.096 0.000 1.237 370 C CA -1.184 57.798 59.018 -0.060 0.000 1.529 370 C CB 1.755 29.470 27.740 -0.042 0.000 2.021 370 C HN 0.620 nan 8.230 nan 0.000 0.474 371 M N 0.602 120.138 119.600 -0.107 0.000 2.833 371 M HA 0.585 5.065 4.480 0.001 0.000 0.270 371 M C -2.210 174.089 176.300 -0.001 0.000 1.209 371 M CA -0.421 54.843 55.300 -0.061 0.000 0.826 371 M CB 1.176 33.661 32.600 -0.192 0.000 1.657 371 M HN 0.335 nan 8.290 nan 0.000 0.492 372 V N 3.112 123.078 119.914 0.087 0.000 2.334 372 V HA 0.383 4.504 4.120 0.001 0.000 0.267 372 V C 0.832 177.023 176.094 0.161 0.000 1.040 372 V CA -0.128 62.240 62.300 0.114 0.000 0.866 372 V CB 0.182 32.102 31.823 0.162 0.000 1.019 372 V HN 0.945 nan 8.190 nan 0.000 0.468 373 S N 4.373 120.154 115.700 0.135 0.000 2.634 373 S HA 0.270 4.740 4.470 0.001 0.000 0.261 373 S C 1.207 175.887 174.600 0.133 0.000 1.271 373 S CA -0.320 57.983 58.200 0.171 0.000 0.985 373 S CB 0.968 64.249 63.200 0.135 0.000 0.968 373 S HN 0.650 nan 8.310 nan 0.000 0.568 374 K N 0.019 120.488 120.400 0.116 0.000 2.097 374 K HA -0.113 4.208 4.320 0.001 0.000 0.206 374 K C 1.783 178.431 176.600 0.080 0.000 1.049 374 K CA 1.810 58.148 56.287 0.084 0.000 0.933 374 K CB -0.814 31.724 32.500 0.063 0.000 0.717 374 K HN 0.900 nan 8.250 nan 0.000 0.442 375 T N -1.727 112.875 114.554 0.080 0.000 3.107 375 T HA 0.220 4.570 4.350 0.001 0.000 0.249 375 T C 0.784 175.533 174.700 0.082 0.000 1.096 375 T CA -0.233 61.910 62.100 0.072 0.000 1.012 375 T CB 0.050 68.956 68.868 0.064 0.000 0.977 375 T HN -0.031 nan 8.240 nan 0.000 0.527 376 M N 2.013 121.673 119.600 0.099 0.000 2.274 376 M HA 0.500 4.981 4.480 0.001 0.000 0.344 376 M C 0.662 177.049 176.300 0.145 0.000 1.161 376 M CA -0.631 54.748 55.300 0.131 0.000 1.126 376 M CB 0.946 33.630 32.600 0.140 0.000 1.522 376 M HN 0.212 nan 8.290 nan 0.000 0.461 377 K N 3.451 123.947 120.400 0.161 0.000 2.448 377 K HA 0.336 4.657 4.320 0.001 0.000 0.278 377 K C -0.524 176.161 176.600 0.142 0.000 1.009 377 K CA 0.132 56.485 56.287 0.110 0.000 0.995 377 K CB -0.391 32.137 32.500 0.047 0.000 0.917 377 K HN 0.693 nan 8.250 nan 0.000 0.481 378 I N 2.308 122.929 120.570 0.084 0.000 2.365 378 I HA 0.234 4.404 4.170 0.001 0.000 0.291 378 I C 0.343 176.461 176.117 0.002 0.000 1.004 378 I CA -0.543 60.814 61.300 0.094 0.000 1.311 378 I CB 1.530 39.582 38.000 0.087 0.000 1.401 378 I HN 0.615 nan 8.210 nan 0.000 0.491 379 K N 7.328 127.727 120.400 -0.001 0.000 2.507 379 K HA 0.383 4.703 4.320 0.001 0.000 0.253 379 K C -2.512 174.159 176.600 0.118 0.000 0.969 379 K CA -1.740 54.494 56.287 -0.089 0.000 0.908 379 K CB 1.557 33.788 32.500 -0.448 0.000 1.127 379 K HN 0.220 nan 8.250 nan 0.000 0.437 380 P HA -0.102 nan 4.420 nan 0.000 0.260 380 P C 0.739 178.190 177.300 0.251 0.000 1.172 380 P CA 1.106 64.294 63.100 0.145 0.000 0.760 380 P CB 0.518 32.275 31.700 0.096 0.000 0.773 381 G N 1.476 110.388 108.800 0.185 0.000 2.175 381 G HA2 -0.243 3.717 3.960 0.001 0.000 0.244 381 G HA3 -0.243 3.717 3.960 0.001 0.000 0.244 381 G C -0.347 174.546 174.900 -0.012 0.000 0.982 381 G CA -0.401 44.749 45.100 0.083 0.000 0.641 381 G HN 0.490 nan 8.290 nan 0.000 0.527 382 Y N 0.030 120.391 120.300 0.102 0.000 2.409 382 Y HA 0.592 5.142 4.550 0.001 0.000 0.339 382 Y C 1.441 177.453 175.900 0.186 0.000 1.033 382 Y CA -0.697 57.502 58.100 0.164 0.000 1.094 382 Y CB 1.531 40.120 38.460 0.215 0.000 1.210 382 Y HN 0.133 nan 8.280 nan 0.000 0.456 383 M N 1.085 120.861 119.600 0.293 0.000 2.419 383 M HA 0.610 5.090 4.480 0.001 0.000 0.252 383 M C 0.466 176.880 176.300 0.190 0.000 1.143 383 M CA 0.362 55.781 55.300 0.198 0.000 0.985 383 M CB 0.050 32.717 32.600 0.112 0.000 1.489 383 M HN 0.801 nan 8.290 nan 0.000 0.484 384 G N 1.408 110.354 108.800 0.244 0.000 2.447 384 G HA2 -0.115 3.845 3.960 0.001 0.000 0.220 384 G HA3 -0.115 3.845 3.960 0.001 0.000 0.220 384 G C -0.544 174.319 174.900 -0.061 0.000 1.261 384 G CA -0.396 44.715 45.100 0.020 0.000 1.000 384 G HN 0.666 nan 8.290 nan 0.000 0.515 385 T N -1.731 112.716 114.554 -0.178 0.000 2.919 385 T HA 0.902 5.252 4.350 0.001 0.000 0.282 385 T C 0.852 175.525 174.700 -0.044 0.000 1.020 385 T CA 0.718 62.783 62.100 -0.058 0.000 0.994 385 T CB 1.389 70.154 68.868 -0.173 0.000 1.180 385 T HN 2.424 nan 8.240 nan 0.000 0.566 386 A N 0.430 123.250 122.820 0.001 0.000 2.561 386 A HA 0.536 4.856 4.320 0.001 0.000 0.234 386 A C 0.696 178.233 177.584 -0.078 0.000 1.055 386 A CA -0.025 51.993 52.037 -0.033 0.000 0.756 386 A CB -1.017 18.012 19.000 0.049 0.000 0.986 386 A HN 1.427 nan 8.150 nan 0.000 0.505 387 A N 2.470 125.207 122.820 -0.137 0.000 2.306 387 A HA 0.785 5.106 4.320 0.001 0.000 0.330 387 A C 1.016 178.380 177.584 -0.368 0.000 1.146 387 A CA 0.511 52.385 52.037 -0.272 0.000 0.827 387 A CB 0.063 18.823 19.000 -0.399 0.000 1.178 387 A HN 2.924 nan 8.150 nan 0.000 0.490 388 S N -0.130 115.374 115.700 -0.328 0.000 4.054 388 S HA -0.349 4.121 4.470 0.001 0.000 0.618 388 S C 0.821 175.303 174.600 -0.195 0.000 2.026 388 S CA 1.147 59.162 58.200 -0.309 0.000 4.205 388 S CB -2.019 60.869 63.200 -0.520 0.000 0.233 388 S HN 1.885 nan 8.310 nan 0.000 0.612 389 C N 0.485 119.676 119.300 -0.182 0.000 2.548 389 C HA 0.575 5.036 4.460 0.001 0.000 0.297 389 C C -0.059 175.002 174.990 0.119 0.000 1.422 389 C CA -0.902 58.100 59.018 -0.027 0.000 1.785 389 C CB -2.050 25.679 27.740 -0.017 0.000 2.593 389 C HN 0.518 nan 8.230 nan 0.000 0.545 390 Y N 1.797 122.063 120.300 -0.056 0.000 2.335 390 Y HA 0.345 4.896 4.550 0.001 0.000 0.331 390 Y C 0.464 176.363 175.900 -0.002 0.000 1.094 390 Y CA -0.454 57.620 58.100 -0.043 0.000 1.253 390 Y CB 0.218 38.640 38.460 -0.063 0.000 1.203 390 Y HN 0.212 nan 8.280 nan 0.000 0.508 391 D N 3.286 123.785 120.400 0.165 0.000 2.456 391 D HA 0.293 4.933 4.640 0.001 0.000 0.219 391 D C -1.094 175.334 176.300 0.213 0.000 1.126 391 D CA -0.121 53.976 54.000 0.162 0.000 0.890 391 D CB 0.344 41.220 40.800 0.126 0.000 1.025 391 D HN 0.163 nan 8.370 nan 0.000 0.511 392 V N 4.654 124.679 119.914 0.186 0.000 2.394 392 V HA 0.401 4.521 4.120 0.001 0.000 0.282 392 V C 0.224 176.491 176.094 0.288 0.000 1.031 392 V CA -0.588 61.785 62.300 0.122 0.000 0.881 392 V CB 1.442 33.152 31.823 -0.187 0.000 0.982 392 V HN 0.440 nan 8.190 nan 0.000 0.451 393 Q N 3.299 123.241 119.800 0.236 0.000 2.456 393 Q HA 0.563 4.903 4.340 0.001 0.000 0.283 393 Q C -1.262 174.787 176.000 0.083 0.000 1.084 393 Q CA -0.828 55.083 55.803 0.179 0.000 0.801 393 Q CB 3.072 31.780 28.738 -0.050 0.000 1.434 393 Q HN 0.458 nan 8.270 nan 0.000 0.419 394 I N 3.131 123.731 120.570 0.050 0.000 2.304 394 I HA 0.368 4.539 4.170 0.001 0.000 0.291 394 I C 0.466 176.491 176.117 -0.154 0.000 1.018 394 I CA -0.367 60.914 61.300 -0.031 0.000 1.260 394 I CB 0.151 38.132 38.000 -0.032 0.000 1.390 394 I HN 0.517 nan 8.210 nan 0.000 0.475 395 I N 3.545 123.991 120.570 -0.208 0.000 2.603 395 I HA 0.603 4.773 4.170 0.001 0.000 0.300 395 I C -0.439 175.597 176.117 -0.135 0.000 1.017 395 I CA -0.857 60.300 61.300 -0.239 0.000 1.098 395 I CB 2.186 39.930 38.000 -0.426 0.000 1.279 395 I HN 0.422 nan 8.210 nan 0.000 0.437 396 D N 2.544 122.885 120.400 -0.097 0.000 2.433 396 D HA 0.061 4.701 4.640 0.001 0.000 0.255 396 D C 0.566 176.835 176.300 -0.052 0.000 1.226 396 D CA -0.131 53.830 54.000 -0.065 0.000 1.015 396 D CB 0.533 41.306 40.800 -0.045 0.000 1.091 396 D HN 0.788 nan 8.370 nan 0.000 0.527 397 D N -2.156 118.219 120.400 -0.041 0.000 2.311 397 D HA -0.170 4.470 4.640 0.001 0.000 0.212 397 D C 1.448 177.737 176.300 -0.017 0.000 0.972 397 D CA 2.089 56.069 54.000 -0.033 0.000 0.887 397 D CB -0.513 40.268 40.800 -0.032 0.000 0.915 397 D HN 0.452 nan 8.370 nan 0.000 0.497 398 K N 0.067 120.461 120.400 -0.009 0.000 2.374 398 K HA 0.559 4.880 4.320 0.001 0.000 0.196 398 K C 1.630 178.248 176.600 0.030 0.000 1.023 398 K CA 0.321 56.613 56.287 0.008 0.000 1.103 398 K CB -0.549 31.956 32.500 0.008 0.000 0.848 398 K HN 0.522 nan 8.250 nan 0.000 0.528 399 G N 0.458 109.273 108.800 0.025 0.000 2.141 399 G HA2 -0.221 3.740 3.960 0.001 0.000 0.242 399 G HA3 -0.221 3.740 3.960 0.001 0.000 0.242 399 G C -0.188 174.768 174.900 0.093 0.000 0.982 399 G CA 0.076 45.222 45.100 0.076 0.000 0.662 399 G HN 0.642 nan 8.290 nan 0.000 0.527 400 N N -0.472 118.245 118.700 0.028 0.000 2.473 400 N HA 0.513 5.254 4.740 0.001 0.000 0.291 400 N C 0.343 175.833 175.510 -0.033 0.000 1.083 400 N CA -0.786 52.287 53.050 0.038 0.000 0.951 400 N CB 2.125 40.631 38.487 0.031 0.000 1.164 400 N HN 0.041 nan 8.380 nan 0.000 0.480 401 V N 2.940 122.853 119.914 -0.001 0.000 2.599 401 V HA 0.001 4.121 4.120 0.001 0.000 0.300 401 V C 0.429 176.503 176.094 -0.034 0.000 1.034 401 V CA 0.213 62.484 62.300 -0.048 0.000 1.115 401 V CB 0.070 31.921 31.823 0.047 0.000 0.934 401 V HN 0.474 nan 8.190 nan 0.000 0.485 402 L N 7.408 128.596 121.223 -0.058 0.000 2.360 402 L HA 0.491 4.831 4.340 0.001 0.000 0.271 402 L C -1.723 175.125 176.870 -0.037 0.000 1.057 402 L CA -1.733 53.079 54.840 -0.046 0.000 0.803 402 L CB 1.481 43.503 42.059 -0.061 0.000 1.207 402 L HN 0.497 nan 8.230 nan 0.000 0.445 403 P HA 0.137 nan 4.420 nan 0.000 0.271 403 P C -2.650 174.622 177.300 -0.048 0.000 1.244 403 P CA -1.153 61.929 63.100 -0.030 0.000 0.793 403 P CB -0.652 31.034 31.700 -0.023 0.000 0.984 404 P HA 0.017 nan 4.420 nan 0.000 0.268 404 P C 0.739 178.009 177.300 -0.051 0.000 1.205 404 P CA 0.843 63.905 63.100 -0.063 0.000 0.771 404 P CB -0.072 31.599 31.700 -0.049 0.000 0.858 405 G N 1.406 110.172 108.800 -0.056 0.000 2.147 405 G HA2 -0.168 3.792 3.960 0.001 0.000 0.244 405 G HA3 -0.168 3.792 3.960 0.001 0.000 0.244 405 G C -0.073 174.801 174.900 -0.044 0.000 1.005 405 G CA 0.123 45.200 45.100 -0.039 0.000 0.713 405 G HN 0.708 nan 8.290 nan 0.000 0.515 406 T N 0.074 114.594 114.554 -0.056 0.000 2.824 406 T HA 0.520 4.870 4.350 0.001 0.000 0.282 406 T C -0.194 174.465 174.700 -0.068 0.000 0.993 406 T CA -0.587 61.480 62.100 -0.055 0.000 0.967 406 T CB 2.424 71.263 68.868 -0.050 0.000 0.960 406 T HN 0.329 nan 8.240 nan 0.000 0.441 407 E N 1.369 121.527 120.200 -0.070 0.000 2.338 407 E HA 0.538 4.888 4.350 0.001 0.000 0.272 407 E C 0.166 176.716 176.600 -0.083 0.000 1.029 407 E CA -0.110 56.240 56.400 -0.085 0.000 0.872 407 E CB 0.661 30.306 29.700 -0.092 0.000 1.015 407 E HN 0.898 nan 8.360 nan 0.000 0.417 408 G N 3.176 111.921 108.800 -0.091 0.000 2.494 408 G HA2 0.093 4.054 3.960 0.001 0.000 0.308 408 G HA3 0.093 4.054 3.960 0.001 0.000 0.308 408 G C -1.506 173.340 174.900 -0.090 0.000 1.263 408 G CA -0.719 44.328 45.100 -0.088 0.000 0.840 408 G HN 0.502 nan 8.290 nan 0.000 0.479 409 D N 0.698 121.045 120.400 -0.088 0.000 2.225 409 D HA 0.399 5.039 4.640 0.001 0.000 0.248 409 D C 0.277 176.543 176.300 -0.058 0.000 1.096 409 D CA 0.037 53.989 54.000 -0.079 0.000 0.863 409 D CB 2.030 42.778 40.800 -0.087 0.000 1.156 409 D HN 0.288 nan 8.370 nan 0.000 0.450 410 I N 1.596 122.161 120.570 -0.009 0.000 2.471 410 I HA 0.309 4.480 4.170 0.001 0.000 0.286 410 I C 1.142 177.286 176.117 0.046 0.000 1.079 410 I CA 0.124 61.455 61.300 0.051 0.000 1.398 410 I CB 0.861 38.918 38.000 0.096 0.000 1.403 410 I HN 0.236 nan 8.210 nan 0.000 0.530 411 G N 6.624 115.441 108.800 0.029 0.000 2.619 411 G HA2 0.772 4.732 3.960 0.001 0.000 0.296 411 G HA3 0.772 4.732 3.960 0.001 0.000 0.296 411 G C -1.087 173.975 174.900 0.269 0.000 1.334 411 G CA -0.607 44.569 45.100 0.126 0.000 0.934 411 G HN 0.454 nan 8.290 nan 0.000 0.476 412 I N 0.491 121.282 120.570 0.368 0.000 2.404 412 I HA 0.399 4.569 4.170 0.001 0.000 0.293 412 I C 0.583 176.841 176.117 0.235 0.000 0.992 412 I CA -0.848 60.588 61.300 0.227 0.000 1.149 412 I CB 2.124 40.045 38.000 -0.132 0.000 1.315 412 I HN 0.383 nan 8.210 nan 0.000 0.446 413 R N 4.703 125.231 120.500 0.046 0.000 2.458 413 R HA 0.128 4.469 4.340 0.001 0.000 0.303 413 R C 0.571 176.713 176.300 -0.262 0.000 1.013 413 R CA 0.119 55.969 56.100 -0.417 0.000 1.026 413 R CB 0.540 30.624 30.300 -0.360 0.000 0.948 413 R HN 0.682 nan 8.270 nan 0.000 0.417 414 V N 0.447 120.211 119.914 -0.251 0.000 3.432 414 V HA 0.350 4.470 4.120 0.001 0.000 0.298 414 V C -0.141 175.851 176.094 -0.169 0.000 1.464 414 V CA -0.003 62.177 62.300 -0.200 0.000 1.046 414 V CB 0.005 31.758 31.823 -0.116 0.000 0.887 414 V HN 0.539 nan 8.190 nan 0.000 0.441 415 K N 1.721 122.017 120.400 -0.172 0.000 2.422 415 K HA 0.553 4.873 4.320 0.001 0.000 0.251 415 K C -2.453 174.066 176.600 -0.135 0.000 0.933 415 K CA -1.483 54.733 56.287 -0.119 0.000 0.798 415 K CB 2.773 35.237 32.500 -0.060 0.000 1.238 415 K HN -0.112 nan 8.250 nan 0.000 0.428 416 P HA 0.123 nan 4.420 nan 0.000 0.249 416 P C -0.345 176.909 177.300 -0.077 0.000 1.229 416 P CA 0.464 63.526 63.100 -0.065 0.000 0.788 416 P CB 0.445 32.118 31.700 -0.045 0.000 1.072 417 I N 0.339 120.847 120.570 -0.103 0.000 2.468 417 I HA 0.294 4.465 4.170 0.001 0.000 0.285 417 I C 0.300 176.317 176.117 -0.167 0.000 1.039 417 I CA -1.092 60.139 61.300 -0.115 0.000 1.074 417 I CB 2.520 40.470 38.000 -0.084 0.000 1.228 417 I HN -0.282 nan 8.210 nan 0.000 0.436 418 R N 8.742 129.102 120.500 -0.234 0.000 2.288 418 R HA 0.286 4.627 4.340 0.001 0.000 0.330 418 R C -2.281 173.870 176.300 -0.250 0.000 1.069 418 R CA -1.158 54.733 56.100 -0.349 0.000 0.941 418 R CB 0.576 30.521 30.300 -0.591 0.000 0.998 418 R HN 0.228 nan 8.270 nan 0.000 0.452 419 P HA -0.032 nan 4.420 nan 0.000 0.269 419 P C -0.159 177.126 177.300 -0.025 0.000 1.215 419 P CA 0.077 63.151 63.100 -0.044 0.000 0.780 419 P CB 0.656 32.424 31.700 0.113 0.000 0.898 420 I N 1.245 121.806 120.570 -0.015 0.000 2.668 420 I HA 0.121 4.291 4.170 0.001 0.000 0.285 420 I C 1.742 177.876 176.117 0.028 0.000 1.168 420 I CA 1.488 62.766 61.300 -0.037 0.000 1.424 420 I CB -0.602 37.352 38.000 -0.077 0.000 1.377 420 I HN 0.779 nan 8.210 nan 0.000 0.560 421 G N 5.957 114.774 108.800 0.029 0.000 2.352 421 G HA2 -0.168 3.792 3.960 0.001 0.000 0.204 421 G HA3 -0.168 3.792 3.960 0.001 0.000 0.204 421 G C 0.241 175.231 174.900 0.150 0.000 1.004 421 G CA -0.716 44.443 45.100 0.098 0.000 0.648 421 G HN 0.394 nan 8.290 nan 0.000 0.491 422 I N 3.288 123.871 120.570 0.022 0.000 2.634 422 I HA 0.361 4.532 4.170 0.001 0.000 0.284 422 I C 1.506 177.575 176.117 -0.080 0.000 1.124 422 I CA -0.896 60.321 61.300 -0.139 0.000 1.417 422 I CB -0.229 37.531 38.000 -0.401 0.000 1.396 422 I HN 0.359 nan 8.210 nan 0.000 0.571 423 F N 3.842 123.521 119.950 -0.451 0.000 2.472 423 F HA 0.179 4.707 4.527 0.000 0.000 0.312 423 F C 1.134 176.765 175.800 -0.281 0.000 1.256 423 F CA -0.552 57.063 58.000 -0.642 0.000 1.275 423 F CB 0.316 38.706 39.000 -1.017 0.000 1.228 423 F HN 0.416 nan 8.300 nan 0.000 0.567 424 S N 0.364 115.743 115.700 -0.536 0.000 2.548 424 S HA 0.450 4.920 4.470 0.001 0.000 0.215 424 S C 0.504 174.732 174.600 -0.619 0.000 0.976 424 S CA 0.304 58.310 58.200 -0.322 0.000 0.908 424 S CB -0.200 62.878 63.200 -0.203 0.000 0.781 424 S HN 1.294 nan 8.310 nan 0.000 0.519 425 G N 0.572 108.341 108.800 -1.719 0.000 2.381 425 G HA2 0.032 3.992 3.960 0.001 0.000 0.672 425 G HA3 0.032 3.992 3.960 0.001 0.000 0.672 425 G C -1.603 172.767 174.900 -0.884 0.000 1.324 425 G CA -1.220 42.924 45.100 -1.594 0.000 0.975 425 G HN 0.093 nan 8.290 nan 0.000 0.593 426 Y N 0.111 120.268 120.300 -0.239 0.000 2.393 426 Y HA 0.430 4.980 4.550 0.001 0.000 0.338 426 Y C 1.391 177.230 175.900 -0.102 0.000 1.029 426 Y CA -0.586 57.500 58.100 -0.023 0.000 1.239 426 Y CB 1.111 39.620 38.460 0.082 0.000 1.170 426 Y HN 0.429 nan 8.280 nan 0.000 0.515 427 V N 5.070 125.011 119.914 0.045 0.000 2.584 427 V HA -0.125 3.996 4.120 0.001 0.000 0.303 427 V C 0.367 176.455 176.094 -0.010 0.000 1.035 427 V CA 0.418 62.700 62.300 -0.031 0.000 1.172 427 V CB -0.073 31.709 31.823 -0.068 0.000 0.896 427 V HN 0.924 nan 8.190 nan 0.000 0.486 428 D N 2.879 123.263 120.400 -0.027 0.000 3.059 428 D HA -0.194 4.446 4.640 0.001 0.000 0.220 428 D C 0.388 176.686 176.300 -0.003 0.000 1.169 428 D CA 1.242 55.230 54.000 -0.019 0.000 0.902 428 D CB -1.124 39.665 40.800 -0.020 0.000 1.116 428 D HN 0.826 nan 8.370 nan 0.000 0.417 429 N N -0.406 118.303 118.700 0.015 0.000 2.711 429 N HA 0.127 4.868 4.740 0.001 0.000 0.263 429 N C -2.193 173.337 175.510 0.033 0.000 1.667 429 N CA -0.914 52.158 53.050 0.037 0.000 0.785 429 N CB 1.586 40.115 38.487 0.071 0.000 1.231 429 N HN -0.056 nan 8.380 nan 0.000 0.503 430 P HA -0.044 nan 4.420 nan 0.000 0.219 430 P C 0.758 178.035 177.300 -0.039 0.000 1.150 430 P CA 0.995 64.052 63.100 -0.071 0.000 0.814 430 P CB 0.501 32.151 31.700 -0.084 0.000 0.787 431 D N -0.286 120.107 120.400 -0.011 0.000 2.144 431 D HA -0.144 4.497 4.640 0.001 0.000 0.199 431 D C 1.840 178.155 176.300 0.025 0.000 0.984 431 D CA 1.121 55.120 54.000 -0.003 0.000 0.834 431 D CB -0.281 40.517 40.800 -0.003 0.000 0.955 431 D HN 0.072 nan 8.370 nan 0.000 0.465 432 K N 0.212 120.650 120.400 0.064 0.000 2.167 432 K HA 0.032 4.352 4.320 0.001 0.000 0.203 432 K C 2.069 178.838 176.600 0.281 0.000 1.052 432 K CA 0.555 56.911 56.287 0.116 0.000 0.956 432 K CB -0.517 32.010 32.500 0.045 0.000 0.735 432 K HN 0.132 nan 8.250 nan 0.000 0.451 433 T N 1.176 115.910 114.554 0.301 0.000 2.746 433 T HA -0.106 4.245 4.350 0.001 0.000 0.267 433 T C 1.927 176.666 174.700 0.065 0.000 1.039 433 T CA 1.415 63.639 62.100 0.207 0.000 1.142 433 T CB -0.161 68.594 68.868 -0.187 0.000 0.866 433 T HN 0.264 nan 8.240 nan 0.000 0.444 434 A N 1.477 124.286 122.820 -0.019 0.000 1.933 434 A HA 0.201 4.522 4.320 0.001 0.000 0.218 434 A C 2.573 180.153 177.584 -0.007 0.000 1.175 434 A CA 1.644 53.662 52.037 -0.031 0.000 0.628 434 A CB -0.957 18.021 19.000 -0.037 0.000 0.814 434 A HN 0.508 nan 8.150 nan 0.000 0.444 435 A N -0.322 122.496 122.820 -0.003 0.000 2.119 435 A HA -0.062 4.258 4.320 0.001 0.000 0.217 435 A C 1.432 178.964 177.584 -0.086 0.000 1.153 435 A CA 1.357 53.377 52.037 -0.028 0.000 0.692 435 A CB -0.391 18.599 19.000 -0.016 0.000 0.799 435 A HN 0.491 nan 8.150 nan 0.000 0.458 436 N N -0.461 118.147 118.700 -0.154 0.000 2.270 436 N HA 0.230 4.970 4.740 0.001 0.000 0.198 436 N C -0.395 174.885 175.510 -0.383 0.000 1.117 436 N CA 0.213 53.001 53.050 -0.436 0.000 0.845 436 N CB 0.202 38.104 38.487 -0.974 0.000 0.980 436 N HN 0.445 nan 8.380 nan 0.000 0.486 437 I N 0.764 121.284 120.570 -0.083 0.000 2.312 437 I HA 0.257 4.427 4.170 0.001 0.000 0.290 437 I C 0.263 176.413 176.117 0.055 0.000 1.008 437 I CA -0.591 60.758 61.300 0.081 0.000 1.226 437 I CB 1.267 39.379 38.000 0.187 0.000 1.371 437 I HN -0.241 nan 8.210 nan 0.000 0.468 438 R N 5.403 125.956 120.500 0.088 0.000 2.371 438 R HA 0.535 4.876 4.340 0.001 0.000 0.312 438 R C 0.510 176.908 176.300 0.164 0.000 0.980 438 R CA 0.321 56.475 56.100 0.090 0.000 0.867 438 R CB 1.106 31.438 30.300 0.052 0.000 1.163 438 R HN 0.902 nan 8.270 nan 0.000 0.492 439 G N 3.684 112.559 108.800 0.125 0.000 2.565 439 G HA2 -0.347 3.613 3.960 0.001 0.000 0.295 439 G HA3 -0.347 3.613 3.960 0.001 0.000 0.295 439 G C 0.145 175.108 174.900 0.105 0.000 1.165 439 G CA 0.426 45.602 45.100 0.127 0.000 0.977 439 G HN 0.661 nan 8.290 nan 0.000 0.546 440 D N 0.897 121.335 120.400 0.065 0.000 2.339 440 D HA 0.338 4.978 4.640 0.001 0.000 0.217 440 D C 0.370 176.468 176.300 -0.338 0.000 1.050 440 D CA 0.432 54.339 54.000 -0.155 0.000 0.856 440 D CB 0.061 40.686 40.800 -0.291 0.000 0.922 440 D HN 0.160 nan 8.370 nan 0.000 0.518 441 F N 0.029 120.038 119.950 0.098 0.000 2.492 441 F HA 0.308 4.835 4.527 0.000 0.000 0.327 441 F C 0.223 176.140 175.800 0.194 0.000 1.079 441 F CA -1.380 56.692 58.000 0.119 0.000 0.967 441 F CB 1.590 40.634 39.000 0.074 0.000 1.169 441 F HN -0.119 nan 8.300 nan 0.000 0.472 442 W N 6.071 127.516 121.300 0.242 0.000 2.331 442 W HA 0.522 5.182 4.660 -0.000 0.000 0.306 442 W C -1.735 174.888 176.519 0.173 0.000 1.162 442 W CA -0.857 56.615 57.345 0.210 0.000 1.232 442 W CB 0.762 30.335 29.460 0.189 0.000 1.235 442 W HN 0.372 nan 8.180 nan 0.000 0.479 443 L N 7.125 128.065 121.223 -0.470 0.000 2.305 443 L HA 0.092 4.432 4.340 0.001 0.000 0.281 443 L C 1.020 177.604 176.870 -0.478 0.000 1.085 443 L CA -0.611 54.023 54.840 -0.345 0.000 0.813 443 L CB 1.236 43.134 42.059 -0.269 0.000 1.157 443 L HN 0.460 nan 8.230 nan 0.000 0.436 444 L N 2.590 123.757 121.223 -0.093 0.000 2.492 444 L HA 0.145 4.486 4.340 0.001 0.000 0.223 444 L C 1.584 178.480 176.870 0.045 0.000 1.132 444 L CA 1.013 55.894 54.840 0.068 0.000 0.850 444 L CB -0.254 41.952 42.059 0.245 0.000 0.966 444 L HN 1.018 nan 8.230 nan 0.000 0.454 445 G N -1.067 107.719 108.800 -0.024 0.000 2.143 445 G HA2 -0.225 3.736 3.960 0.001 0.000 0.249 445 G HA3 -0.225 3.736 3.960 0.001 0.000 0.249 445 G C -0.137 174.783 174.900 0.033 0.000 0.981 445 G CA 0.041 45.134 45.100 -0.011 0.000 0.665 445 G HN 0.316 nan 8.290 nan 0.000 0.528 446 D N 0.316 120.760 120.400 0.073 0.000 2.278 446 D HA 0.459 5.100 4.640 0.001 0.000 0.245 446 D C 0.547 176.798 176.300 -0.082 0.000 1.052 446 D CA -0.588 53.449 54.000 0.062 0.000 0.834 446 D CB 1.050 42.043 40.800 0.321 0.000 1.194 446 D HN 0.072 nan 8.370 nan 0.000 0.481 447 R N 0.754 121.110 120.500 -0.240 0.000 2.490 447 R HA 0.704 5.044 4.340 0.001 0.000 0.278 447 R C 0.511 176.632 176.300 -0.298 0.000 1.069 447 R CA -0.496 55.455 56.100 -0.249 0.000 1.080 447 R CB 1.136 31.270 30.300 -0.276 0.000 1.030 447 R HN 0.593 nan 8.270 nan 0.000 0.491 448 G N 0.833 109.530 108.800 -0.172 0.000 2.649 448 G HA2 0.609 4.569 3.960 0.001 0.000 0.290 448 G HA3 0.609 4.569 3.960 0.001 0.000 0.290 448 G C -1.156 173.688 174.900 -0.094 0.000 1.426 448 G CA -0.656 44.370 45.100 -0.124 0.000 0.794 448 G HN 0.380 nan 8.290 nan 0.000 0.483 449 I N -0.114 120.399 120.570 -0.095 0.000 2.740 449 I HA 0.522 4.692 4.170 0.001 0.000 0.303 449 I C -0.401 175.608 176.117 -0.179 0.000 1.044 449 I CA -0.927 60.307 61.300 -0.111 0.000 1.064 449 I CB 2.711 40.657 38.000 -0.090 0.000 1.249 449 I HN 0.341 nan 8.210 nan 0.000 0.433 450 K N 3.767 124.016 120.400 -0.251 0.000 2.376 450 K HA 0.296 4.616 4.320 0.001 0.000 0.257 450 K C -1.163 175.340 176.600 -0.162 0.000 0.939 450 K CA -0.645 55.394 56.287 -0.414 0.000 0.809 450 K CB 1.420 33.511 32.500 -0.680 0.000 1.121 450 K HN 0.640 nan 8.250 nan 0.000 0.425 451 D N 2.320 122.692 120.400 -0.048 0.000 2.478 451 D HA 0.012 4.653 4.640 0.001 0.000 0.269 451 D C 0.530 176.808 176.300 -0.038 0.000 1.232 451 D CA -0.068 53.926 54.000 -0.010 0.000 1.059 451 D CB 0.544 41.351 40.800 0.012 0.000 1.104 451 D HN 0.580 nan 8.370 nan 0.000 0.566 452 E N -1.096 119.082 120.200 -0.037 0.000 2.265 452 E HA -0.125 4.225 4.350 0.001 0.000 0.196 452 E C 0.400 177.000 176.600 -0.001 0.000 0.996 452 E CA 0.951 57.336 56.400 -0.026 0.000 0.832 452 E CB 0.012 29.693 29.700 -0.031 0.000 0.756 452 E HN 0.398 nan 8.360 nan 0.000 0.491 453 D N -0.823 119.592 120.400 0.025 0.000 2.349 453 D HA 0.078 4.718 4.640 0.001 0.000 0.214 453 D C 0.939 177.332 176.300 0.156 0.000 1.063 453 D CA 0.566 54.630 54.000 0.106 0.000 0.847 453 D CB 0.960 41.855 40.800 0.159 0.000 0.933 453 D HN 0.253 nan 8.370 nan 0.000 0.513 454 G N 0.892 109.739 108.800 0.079 0.000 2.137 454 G HA2 -0.298 3.662 3.960 0.001 0.000 0.237 454 G HA3 -0.298 3.662 3.960 0.001 0.000 0.237 454 G C -0.141 174.787 174.900 0.047 0.000 1.002 454 G CA -0.349 44.759 45.100 0.013 0.000 0.702 454 G HN 0.344 nan 8.290 nan 0.000 0.515 455 Y N -0.660 119.619 120.300 -0.036 0.000 2.304 455 Y HA 0.586 5.136 4.550 0.001 0.000 0.328 455 Y C 0.932 176.906 175.900 0.124 0.000 1.123 455 Y CA -0.670 57.497 58.100 0.112 0.000 1.218 455 Y CB 0.607 39.077 38.460 0.016 0.000 1.207 455 Y HN 0.113 nan 8.280 nan 0.000 0.495 456 F N 2.205 122.321 119.950 0.277 0.000 2.385 456 F HA 0.272 4.799 4.527 0.001 0.000 0.336 456 F C 0.174 176.060 175.800 0.143 0.000 1.100 456 F CA -0.416 57.680 58.000 0.159 0.000 1.116 456 F CB 1.107 40.113 39.000 0.010 0.000 1.166 456 F HN 0.347 nan 8.300 nan 0.000 0.511 457 Q N 4.450 124.290 119.800 0.067 0.000 2.339 457 Q HA 0.285 4.625 4.340 0.001 0.000 0.268 457 Q C -1.348 174.604 176.000 -0.081 0.000 1.027 457 Q CA -0.823 54.851 55.803 -0.215 0.000 0.759 457 Q CB 1.039 29.466 28.738 -0.518 0.000 1.244 457 Q HN 0.644 nan 8.270 nan 0.000 0.464 458 F N 4.938 124.781 119.950 -0.178 0.000 2.538 458 F HA 0.115 4.643 4.527 0.000 0.000 0.371 458 F C 0.267 175.990 175.800 -0.128 0.000 1.087 458 F CA 0.485 58.390 58.000 -0.158 0.000 1.250 458 F CB 0.694 39.610 39.000 -0.140 0.000 1.110 458 F HN 0.660 nan 8.300 nan 0.000 0.570 459 M N 5.290 124.433 119.600 -0.760 0.000 2.340 459 M HA 0.314 4.794 4.480 0.001 0.000 0.345 459 M C 0.256 176.132 176.300 -0.705 0.000 1.008 459 M CA 0.442 55.411 55.300 -0.551 0.000 0.987 459 M CB -0.217 32.178 32.600 -0.341 0.000 1.598 459 M HN 0.786 nan 8.290 nan 0.000 0.569 460 G N 1.543 109.516 108.800 -1.380 0.000 2.576 460 G HA2 -0.072 3.888 3.960 0.001 0.000 0.686 460 G HA3 -0.072 3.888 3.960 0.001 0.000 0.686 460 G C -0.884 173.758 174.900 -0.430 0.000 1.242 460 G CA -1.131 43.539 45.100 -0.716 0.000 0.819 460 G HN 0.159 nan 8.290 nan 0.000 0.655 461 R N 0.389 120.827 120.500 -0.104 0.000 2.537 461 R HA 0.484 4.824 4.340 0.001 0.000 0.280 461 R C 1.561 177.794 176.300 -0.112 0.000 1.058 461 R CA 0.452 56.532 56.100 -0.034 0.000 1.057 461 R CB 0.857 31.179 30.300 0.036 0.000 0.973 461 R HN 1.170 nan 8.270 nan 0.000 0.438 462 A N 2.257 125.022 122.820 -0.091 0.000 2.123 462 A HA -0.073 4.248 4.320 0.001 0.000 0.214 462 A C 0.533 178.072 177.584 -0.075 0.000 1.152 462 A CA 1.066 53.045 52.037 -0.097 0.000 0.728 462 A CB -0.127 18.820 19.000 -0.088 0.000 0.814 462 A HN 0.784 nan 8.150 nan 0.000 0.464 463 D N -1.889 118.480 120.400 -0.052 0.000 2.668 463 D HA 0.285 4.926 4.640 0.001 0.000 0.249 463 D C -0.506 175.776 176.300 -0.030 0.000 1.150 463 D CA -0.421 53.556 54.000 -0.038 0.000 1.090 463 D CB -0.097 40.687 40.800 -0.026 0.000 1.244 463 D HN -0.131 nan 8.370 nan 0.000 0.636 464 D N -0.844 119.548 120.400 -0.014 0.000 2.339 464 D HA 0.208 4.849 4.640 0.001 0.000 0.217 464 D C 0.257 176.567 176.300 0.017 0.000 1.050 464 D CA -0.178 53.822 54.000 -0.001 0.000 0.856 464 D CB -0.110 40.692 40.800 0.003 0.000 0.922 464 D HN 0.344 nan 8.370 nan 0.000 0.518 465 I N 1.498 122.081 120.570 0.021 0.000 2.752 465 I HA -0.063 4.107 4.170 0.001 0.000 0.289 465 I C 0.636 176.784 176.117 0.052 0.000 1.197 465 I CA 0.278 61.601 61.300 0.039 0.000 1.432 465 I CB 0.575 38.604 38.000 0.048 0.000 1.359 465 I HN -0.256 nan 8.210 nan 0.000 0.571 466 I N 6.520 127.125 120.570 0.059 0.000 2.385 466 I HA 0.200 4.370 4.170 0.001 0.000 0.294 466 I C 0.159 176.317 176.117 0.069 0.000 0.988 466 I CA -0.398 60.946 61.300 0.074 0.000 1.265 466 I CB 1.157 39.197 38.000 0.067 0.000 1.388 466 I HN 0.513 nan 8.210 nan 0.000 0.480 467 N N 4.308 123.054 118.700 0.077 0.000 2.564 467 N HA 0.176 4.916 4.740 0.001 0.000 0.248 467 N C -1.183 174.355 175.510 0.047 0.000 0.986 467 N CA -0.076 53.001 53.050 0.044 0.000 0.921 467 N CB 1.382 39.884 38.487 0.026 0.000 1.136 467 N HN 0.537 nan 8.380 nan 0.000 0.509 468 S N 2.667 118.393 115.700 0.043 0.000 2.448 468 S HA 0.544 5.014 4.470 0.001 0.000 0.320 468 S C 0.390 175.016 174.600 0.043 0.000 1.071 468 S CA -0.073 58.153 58.200 0.043 0.000 1.113 468 S CB 0.001 63.224 63.200 0.038 0.000 0.972 468 S HN 0.651 nan 8.310 nan 0.000 0.465 469 S N 3.943 119.652 115.700 0.016 0.000 3.927 469 S HA -0.256 4.214 4.470 0.001 0.000 0.618 469 S C 1.514 176.036 174.600 -0.130 0.000 2.201 469 S CA 1.271 59.461 58.200 -0.017 0.000 4.160 469 S CB -1.645 61.570 63.200 0.025 0.000 0.266 469 S HN 1.266 nan 8.310 nan 0.000 0.760 470 G N 0.015 108.638 108.800 -0.294 0.000 2.432 470 G HA2 -0.037 3.923 3.960 0.001 0.000 0.219 470 G HA3 -0.037 3.923 3.960 0.001 0.000 0.219 470 G C 0.196 174.610 174.900 -0.809 0.000 1.135 470 G CA 1.191 45.887 45.100 -0.674 0.000 0.767 470 G HN 0.546 nan 8.290 nan 0.000 0.550 471 Y N 0.198 120.203 120.300 -0.493 0.000 2.359 471 Y HA 0.333 4.883 4.550 0.000 0.000 0.334 471 Y C 0.949 176.690 175.900 -0.265 0.000 1.058 471 Y CA -0.785 57.012 58.100 -0.505 0.000 1.244 471 Y CB 0.788 38.948 38.460 -0.500 0.000 1.187 471 Y HN -0.041 nan 8.280 nan 0.000 0.510 472 R N 4.908 125.334 120.500 -0.123 0.000 2.248 472 R HA 0.424 4.764 4.340 0.001 0.000 0.337 472 R C -1.438 174.911 176.300 0.082 0.000 1.085 472 R CA -0.096 55.993 56.100 -0.017 0.000 0.934 472 R CB -0.346 29.932 30.300 -0.036 0.000 1.034 472 R HN 0.721 nan 8.270 nan 0.000 0.465 473 I N 3.239 123.869 120.570 0.099 0.000 2.377 473 I HA 0.335 4.506 4.170 0.001 0.000 0.293 473 I C 0.675 176.830 176.117 0.064 0.000 0.987 473 I CA -0.739 60.629 61.300 0.114 0.000 1.185 473 I CB 2.190 40.251 38.000 0.101 0.000 1.341 473 I HN 0.671 nan 8.210 nan 0.000 0.455 474 G N 6.059 114.887 108.800 0.047 0.000 2.320 474 G HA2 0.388 4.348 3.960 0.001 0.000 0.300 474 G HA3 0.388 4.348 3.960 0.001 0.000 0.300 474 G C -1.874 173.026 174.900 -0.000 0.000 1.126 474 G CA -1.185 43.927 45.100 0.020 0.000 0.896 474 G HN 0.380 nan 8.290 nan 0.000 0.436 475 P HA -0.138 nan 4.420 nan 0.000 0.215 475 P C 2.028 179.321 177.300 -0.012 0.000 1.153 475 P CA 1.087 64.188 63.100 0.001 0.000 0.853 475 P CB 0.267 31.977 31.700 0.016 0.000 0.788 476 S N 0.211 115.901 115.700 -0.018 0.000 2.387 476 S HA -0.208 4.262 4.470 0.001 0.000 0.230 476 S C 1.837 176.408 174.600 -0.048 0.000 1.035 476 S CA 1.466 59.649 58.200 -0.028 0.000 1.014 476 S CB -0.840 62.341 63.200 -0.032 0.000 0.836 476 S HN 0.388 nan 8.310 nan 0.000 0.466 477 E N 0.400 120.560 120.200 -0.066 0.000 2.085 477 E HA -0.122 4.228 4.350 0.001 0.000 0.194 477 E C 2.071 178.621 176.600 -0.084 0.000 0.994 477 E CA 1.405 57.748 56.400 -0.096 0.000 0.801 477 E CB -0.186 29.451 29.700 -0.106 0.000 0.743 477 E HN 0.340 nan 8.360 nan 0.000 0.453 478 V N 1.103 120.978 119.914 -0.065 0.000 2.407 478 V HA -0.184 3.937 4.120 0.001 0.000 0.245 478 V C 1.964 178.041 176.094 -0.028 0.000 1.041 478 V CA 1.600 63.865 62.300 -0.059 0.000 1.040 478 V CB -0.486 31.305 31.823 -0.055 0.000 0.671 478 V HN 0.181 nan 8.190 nan 0.000 0.455 479 E N 0.827 121.018 120.200 -0.016 0.000 2.023 479 E HA -0.243 4.107 4.350 0.001 0.000 0.196 479 E C 2.169 178.773 176.600 0.007 0.000 1.003 479 E CA 1.671 58.072 56.400 0.002 0.000 0.809 479 E CB -0.293 29.410 29.700 0.005 0.000 0.755 479 E HN 0.542 nan 8.360 nan 0.000 0.449 480 N N 0.792 119.488 118.700 -0.007 0.000 2.060 480 N HA -0.216 4.524 4.740 0.001 0.000 0.195 480 N C 1.679 177.202 175.510 0.022 0.000 1.028 480 N CA 1.555 54.604 53.050 -0.001 0.000 0.861 480 N CB -0.615 37.857 38.487 -0.026 0.000 1.029 480 N HN 0.200 nan 8.380 nan 0.000 0.428 481 A N 1.021 123.843 122.820 0.003 0.000 1.883 481 A HA -0.083 4.237 4.320 0.001 0.000 0.217 481 A C 2.404 180.087 177.584 0.163 0.000 1.186 481 A CA 1.123 53.171 52.037 0.018 0.000 0.624 481 A CB -0.875 18.086 19.000 -0.065 0.000 0.822 481 A HN 0.253 nan 8.150 nan 0.000 0.444 482 L N -0.951 120.340 121.223 0.113 0.000 2.083 482 L HA -0.188 4.153 4.340 0.001 0.000 0.209 482 L C 2.573 179.496 176.870 0.089 0.000 1.083 482 L CA 0.944 55.858 54.840 0.123 0.000 0.752 482 L CB -0.397 41.687 42.059 0.041 0.000 0.899 482 L HN 0.348 nan 8.230 nan 0.000 0.433 483 M N -0.740 118.902 119.600 0.069 0.000 2.460 483 M HA -0.143 4.338 4.480 0.001 0.000 0.263 483 M C 1.838 178.172 176.300 0.056 0.000 1.071 483 M CA 1.296 56.622 55.300 0.044 0.000 1.096 483 M CB -0.833 31.785 32.600 0.030 0.000 1.408 483 M HN 0.309 nan 8.290 nan 0.000 0.463 484 E N -0.931 119.345 120.200 0.127 0.000 2.347 484 E HA -0.104 4.246 4.350 0.001 0.000 0.196 484 E C 0.768 177.395 176.600 0.045 0.000 1.008 484 E CA 0.310 56.792 56.400 0.138 0.000 0.852 484 E CB -0.017 29.818 29.700 0.224 0.000 0.783 484 E HN 0.413 nan 8.360 nan 0.000 0.505 485 H N 0.957 119.888 119.070 -0.232 0.000 2.489 485 H HA 0.092 4.648 4.556 0.000 0.000 0.322 485 H C -1.794 173.357 175.328 -0.296 0.000 1.091 485 H CA -2.359 53.407 56.048 -0.470 0.000 1.291 485 H CB 1.654 30.862 29.762 -0.923 0.000 1.436 485 H HN -0.155 nan 8.280 nan 0.000 0.480 486 P HA -0.041 nan 4.420 nan 0.000 0.230 486 P C 0.853 178.059 177.300 -0.156 0.000 1.158 486 P CA 0.755 63.758 63.100 -0.162 0.000 0.769 486 P CB 0.104 31.753 31.700 -0.087 0.000 0.807 487 A N -0.186 122.406 122.820 -0.379 0.000 2.119 487 A HA 0.081 4.401 4.320 0.001 0.000 0.216 487 A C 1.145 178.555 177.584 -0.291 0.000 1.152 487 A CA 0.529 52.085 52.037 -0.802 0.000 0.708 487 A CB -0.528 17.601 19.000 -1.452 0.000 0.805 487 A HN 0.094 nan 8.150 nan 0.000 0.460 488 V N 1.869 121.698 119.914 -0.142 0.000 2.288 488 V HA 0.128 4.248 4.120 0.001 0.000 0.266 488 V C 1.508 177.590 176.094 -0.021 0.000 1.048 488 V CA 0.152 62.413 62.300 -0.064 0.000 0.842 488 V CB 0.629 32.423 31.823 -0.047 0.000 1.064 488 V HN 0.384 nan 8.190 nan 0.000 0.472 489 V N 1.440 121.352 119.914 -0.004 0.000 2.548 489 V HA 0.156 4.277 4.120 0.001 0.000 0.249 489 V C 0.655 176.758 176.094 0.016 0.000 1.055 489 V CA 1.244 63.551 62.300 0.010 0.000 1.065 489 V CB -0.179 31.655 31.823 0.018 0.000 0.681 489 V HN 0.813 nan 8.190 nan 0.000 0.462 490 E N -1.598 118.617 120.200 0.025 0.000 2.375 490 E HA 0.558 4.908 4.350 0.001 0.000 0.280 490 E C -1.199 175.428 176.600 0.044 0.000 0.972 490 E CA -0.185 56.233 56.400 0.030 0.000 0.782 490 E CB 2.385 32.102 29.700 0.029 0.000 1.229 490 E HN 0.277 nan 8.360 nan 0.000 0.439 491 T N 0.806 115.386 114.554 0.043 0.000 2.853 491 T HA 0.802 5.152 4.350 0.001 0.000 0.311 491 T C -1.996 172.744 174.700 0.066 0.000 1.307 491 T CA -0.052 62.086 62.100 0.063 0.000 1.019 491 T CB 1.489 70.385 68.868 0.048 0.000 1.264 491 T HN 0.567 nan 8.240 nan 0.000 0.497 492 A N 2.328 125.216 122.820 0.113 0.000 2.398 492 A HA 0.779 5.100 4.320 0.001 0.000 0.301 492 A C -1.316 176.373 177.584 0.176 0.000 1.041 492 A CA -0.509 51.599 52.037 0.118 0.000 0.711 492 A CB 1.716 20.768 19.000 0.087 0.000 1.240 492 A HN 0.734 nan 8.150 nan 0.000 0.420 493 V N 3.764 123.744 119.914 0.110 0.000 2.495 493 V HA 0.708 4.828 4.120 0.001 0.000 0.298 493 V C -0.147 176.007 176.094 0.100 0.000 1.031 493 V CA -0.170 62.179 62.300 0.082 0.000 0.871 493 V CB 1.321 33.158 31.823 0.022 0.000 0.988 493 V HN 0.937 nan 8.190 nan 0.000 0.432 494 I N 1.626 122.262 120.570 0.110 0.000 3.354 494 I HA 0.806 4.977 4.170 0.001 0.000 0.316 494 I C -0.080 176.110 176.117 0.122 0.000 1.182 494 I CA -0.840 60.543 61.300 0.138 0.000 0.942 494 I CB 2.381 40.518 38.000 0.228 0.000 1.299 494 I HN 0.544 nan 8.210 nan 0.000 0.473 495 S N 1.137 116.958 115.700 0.201 0.000 2.586 495 S HA 0.664 5.134 4.470 0.001 0.000 0.274 495 S C -0.235 174.574 174.600 0.349 0.000 1.281 495 S CA -0.405 57.954 58.200 0.265 0.000 1.035 495 S CB 1.322 64.739 63.200 0.362 0.000 0.962 495 S HN 0.882 nan 8.310 nan 0.000 0.512 496 S N 1.953 117.701 115.700 0.080 0.000 2.548 496 S HA 0.721 5.191 4.470 0.001 0.000 0.286 496 S C -3.214 171.098 174.600 -0.479 0.000 1.098 496 S CA -1.708 56.332 58.200 -0.265 0.000 0.930 496 S CB 1.238 64.291 63.200 -0.244 0.000 1.070 496 S HN 0.567 nan 8.310 nan 0.000 0.480 497 P HA 0.407 nan 4.420 nan 0.000 0.276 497 P C -1.447 175.629 177.300 -0.372 0.000 1.230 497 P CA -0.021 62.619 63.100 -0.767 0.000 0.776 497 P CB 0.528 31.636 31.700 -0.986 0.000 0.888 498 D N 2.625 122.892 120.400 -0.221 0.000 2.787 498 D HA 0.343 4.983 4.640 0.001 0.000 0.246 498 D C -1.977 174.272 176.300 -0.085 0.000 1.150 498 D CA -2.235 51.682 54.000 -0.139 0.000 0.864 498 D CB 1.382 42.117 40.800 -0.108 0.000 1.481 498 D HN 0.037 nan 8.370 nan 0.000 0.509 499 P HA -0.018 nan 4.420 nan 0.000 0.225 499 P C 1.029 178.324 177.300 -0.009 0.000 1.156 499 P CA 0.202 63.282 63.100 -0.034 0.000 0.787 499 P CB 0.476 32.157 31.700 -0.031 0.000 0.802 500 V N -0.194 119.714 119.914 -0.010 0.000 2.492 500 V HA -0.007 4.113 4.120 0.001 0.000 0.241 500 V C 2.229 178.334 176.094 0.019 0.000 1.041 500 V CA 1.401 63.706 62.300 0.010 0.000 1.057 500 V CB -0.420 31.409 31.823 0.011 0.000 0.711 500 V HN 0.020 nan 8.190 nan 0.000 0.468 501 R N -0.661 119.844 120.500 0.007 0.000 2.254 501 R HA 0.315 4.655 4.340 0.001 0.000 0.195 501 R C 1.668 177.980 176.300 0.021 0.000 0.957 501 R CA 0.847 56.958 56.100 0.018 0.000 1.024 501 R CB 0.493 30.797 30.300 0.006 0.000 0.952 501 R HN 0.557 nan 8.270 nan 0.000 0.484 502 G N 1.331 110.139 108.800 0.012 0.000 3.922 502 G HA2 -0.298 3.662 3.960 0.001 0.000 0.208 502 G HA3 -0.298 3.662 3.960 0.001 0.000 0.208 502 G C -0.061 174.856 174.900 0.030 0.000 1.491 502 G CA 0.080 45.200 45.100 0.033 0.000 1.017 502 G HN 0.331 nan 8.290 nan 0.000 0.603 503 E N -0.138 120.085 120.200 0.038 0.000 2.311 503 E HA 0.513 4.863 4.350 0.001 0.000 0.281 503 E C -0.575 176.036 176.600 0.019 0.000 0.905 503 E CA -0.312 56.128 56.400 0.068 0.000 0.778 503 E CB 2.323 32.146 29.700 0.205 0.000 1.240 503 E HN 1.135 nan 8.360 nan 0.000 0.410 504 V N 0.486 120.381 119.914 -0.031 0.000 3.126 504 V HA 0.669 4.790 4.120 0.001 0.000 0.314 504 V C -0.503 175.541 176.094 -0.083 0.000 1.138 504 V CA -0.843 61.408 62.300 -0.081 0.000 1.034 504 V CB 1.715 33.453 31.823 -0.142 0.000 1.075 504 V HN 0.390 nan 8.190 nan 0.000 0.442 505 V N 2.277 122.108 119.914 -0.139 0.000 2.530 505 V HA 0.442 4.562 4.120 0.001 0.000 0.282 505 V C 0.169 176.156 176.094 -0.178 0.000 1.048 505 V CA -0.069 62.153 62.300 -0.130 0.000 0.997 505 V CB 1.084 32.814 31.823 -0.155 0.000 0.987 505 V HN 1.060 nan 8.190 nan 0.000 0.477 506 K N 3.962 124.276 120.400 -0.144 0.000 2.378 506 K HA 0.800 5.120 4.320 0.001 0.000 0.252 506 K C -0.891 175.584 176.600 -0.207 0.000 0.931 506 K CA -0.564 55.589 56.287 -0.224 0.000 0.794 506 K CB 1.903 34.239 32.500 -0.273 0.000 1.181 506 K HN 0.752 nan 8.250 nan 0.000 0.425 507 A N 4.348 127.006 122.820 -0.268 0.000 2.318 507 A HA 0.603 4.924 4.320 0.001 0.000 0.317 507 A C -1.316 176.089 177.584 -0.298 0.000 1.159 507 A CA -0.699 51.233 52.037 -0.175 0.000 0.799 507 A CB 0.209 19.138 19.000 -0.119 0.000 1.194 507 A HN 0.634 nan 8.150 nan 0.000 0.479 508 F N 1.861 121.763 119.950 -0.080 0.000 2.410 508 F HA 0.508 5.035 4.527 0.000 0.000 0.348 508 F C 0.274 176.049 175.800 -0.043 0.000 1.106 508 F CA -0.153 57.803 58.000 -0.073 0.000 1.163 508 F CB 1.748 40.727 39.000 -0.035 0.000 1.129 508 F HN 0.243 nan 8.300 nan 0.000 0.516 509 V N 4.290 124.288 119.914 0.139 0.000 2.577 509 V HA 0.334 4.454 4.120 0.001 0.000 0.303 509 V C -0.668 175.569 176.094 0.238 0.000 1.042 509 V CA -0.922 61.474 62.300 0.159 0.000 0.872 509 V CB 2.053 33.967 31.823 0.151 0.000 0.998 509 V HN 0.442 nan 8.190 nan 0.000 0.423 510 V N 6.489 126.495 119.914 0.152 0.000 2.368 510 V HA 0.348 4.468 4.120 0.001 0.000 0.266 510 V C 0.224 176.364 176.094 0.076 0.000 1.045 510 V CA -0.308 62.062 62.300 0.117 0.000 0.899 510 V CB 1.060 32.925 31.823 0.071 0.000 1.006 510 V HN 0.614 nan 8.190 nan 0.000 0.470 511 L N 4.325 125.578 121.223 0.050 0.000 2.397 511 L HA 0.495 4.835 4.340 0.001 0.000 0.271 511 L C 0.996 177.868 176.870 0.004 0.000 1.148 511 L CA 0.055 54.876 54.840 -0.032 0.000 0.825 511 L CB 0.796 42.764 42.059 -0.152 0.000 1.117 511 L HN 0.748 nan 8.230 nan 0.000 0.456 512 A N 1.588 124.422 122.820 0.024 0.000 2.366 512 A HA 0.217 4.538 4.320 0.001 0.000 0.249 512 A C 1.200 178.850 177.584 0.110 0.000 1.084 512 A CA 0.266 52.355 52.037 0.086 0.000 0.794 512 A CB 0.549 19.635 19.000 0.143 0.000 1.034 512 A HN 0.892 nan 8.150 nan 0.000 0.491 513 S N 0.274 116.017 115.700 0.072 0.000 2.423 513 S HA -0.171 4.299 4.470 0.001 0.000 0.231 513 S C 1.542 176.156 174.600 0.023 0.000 1.014 513 S CA 1.297 59.520 58.200 0.039 0.000 0.965 513 S CB -0.267 62.945 63.200 0.021 0.000 0.785 513 S HN 0.834 nan 8.310 nan 0.000 0.495 514 Q N -0.049 119.763 119.800 0.019 0.000 2.472 514 Q HA 0.082 4.422 4.340 0.001 0.000 0.208 514 Q C 0.715 176.540 176.000 -0.290 0.000 0.958 514 Q CA 0.706 56.446 55.803 -0.106 0.000 0.932 514 Q CB -0.704 27.950 28.738 -0.139 0.000 1.007 514 Q HN 0.683 nan 8.270 nan 0.000 0.508 515 F N 0.273 120.152 119.950 -0.117 0.000 2.695 515 F HA 0.284 4.811 4.527 0.000 0.000 0.303 515 F C 1.695 177.404 175.800 -0.151 0.000 1.091 515 F CA -0.254 57.589 58.000 -0.262 0.000 1.300 515 F CB 0.290 39.061 39.000 -0.383 0.000 1.071 515 F HN -0.069 nan 8.300 nan 0.000 0.578 516 L N -0.218 121.032 121.223 0.045 0.000 2.191 516 L HA -0.208 4.133 4.340 0.001 0.000 0.212 516 L C 2.374 179.263 176.870 0.031 0.000 1.103 516 L CA 1.531 56.375 54.840 0.006 0.000 0.769 516 L CB -0.603 41.456 42.059 -0.001 0.000 0.908 516 L HN 0.223 nan 8.230 nan 0.000 0.438 517 S N -2.920 112.825 115.700 0.075 0.000 2.527 517 S HA -0.032 4.438 4.470 0.001 0.000 0.222 517 S C 0.685 175.340 174.600 0.091 0.000 0.985 517 S CA -0.256 57.982 58.200 0.062 0.000 0.921 517 S CB -0.425 62.789 63.200 0.023 0.000 0.772 517 S HN 0.328 nan 8.310 nan 0.000 0.529 518 H N 2.426 121.478 119.070 -0.029 0.000 2.690 518 H HA 0.392 4.949 4.556 0.001 0.000 0.365 518 H C -0.086 175.235 175.328 -0.011 0.000 1.142 518 H CA -0.295 55.752 56.048 -0.002 0.000 1.417 518 H CB 0.153 29.955 29.762 0.067 0.000 1.446 518 H HN 0.148 nan 8.280 nan 0.000 0.599 519 D N 2.662 123.112 120.400 0.083 0.000 2.382 519 D HA 0.010 4.651 4.640 0.001 0.000 0.259 519 D C -1.665 174.697 176.300 0.104 0.000 1.224 519 D CA -1.737 52.303 54.000 0.067 0.000 0.894 519 D CB 0.926 41.752 40.800 0.044 0.000 1.127 519 D HN 0.298 nan 8.370 nan 0.000 0.487 520 P HA -0.139 nan 4.420 nan 0.000 0.219 520 P C 1.047 178.489 177.300 0.238 0.000 1.146 520 P CA 0.857 64.061 63.100 0.173 0.000 0.808 520 P CB 0.265 32.101 31.700 0.227 0.000 0.779 521 E N -0.526 119.761 120.200 0.146 0.000 2.106 521 E HA -0.216 4.134 4.350 0.001 0.000 0.192 521 E C 1.792 178.457 176.600 0.108 0.000 0.984 521 E CA 0.910 57.377 56.400 0.112 0.000 0.806 521 E CB -0.098 29.644 29.700 0.071 0.000 0.750 521 E HN 0.133 nan 8.360 nan 0.000 0.458 522 Q N 0.042 119.908 119.800 0.110 0.000 2.212 522 Q HA -0.064 4.276 4.340 0.001 0.000 0.199 522 Q C 2.146 178.231 176.000 0.142 0.000 0.950 522 Q CA 0.433 56.300 55.803 0.106 0.000 0.863 522 Q CB -0.210 28.580 28.738 0.087 0.000 0.944 522 Q HN 0.282 nan 8.270 nan 0.000 0.465 523 L N 0.834 122.167 121.223 0.184 0.000 2.141 523 L HA -0.080 4.261 4.340 0.001 0.000 0.209 523 L C 1.908 178.879 176.870 0.169 0.000 1.094 523 L CA 1.744 56.692 54.840 0.181 0.000 0.763 523 L CB -0.907 41.233 42.059 0.135 0.000 0.908 523 L HN 0.102 nan 8.230 nan 0.000 0.437 524 T N -0.586 114.103 114.554 0.224 0.000 2.652 524 T HA -0.232 4.119 4.350 0.001 0.000 0.267 524 T C 2.048 176.786 174.700 0.065 0.000 1.039 524 T CA 1.967 64.139 62.100 0.119 0.000 1.153 524 T CB -0.204 68.704 68.868 0.067 0.000 0.863 524 T HN 0.248 nan 8.240 nan 0.000 0.428 525 K N 0.873 121.315 120.400 0.070 0.000 2.063 525 K HA -0.100 4.220 4.320 0.001 0.000 0.208 525 K C 2.314 178.938 176.600 0.041 0.000 1.048 525 K CA 1.494 57.810 56.287 0.050 0.000 0.928 525 K CB -0.541 31.987 32.500 0.047 0.000 0.713 525 K HN 0.743 nan 8.250 nan 0.000 0.442 526 E N 0.308 120.542 120.200 0.057 0.000 2.110 526 E HA -0.134 4.216 4.350 0.001 0.000 0.193 526 E C 1.986 178.586 176.600 -0.001 0.000 0.988 526 E CA 1.206 57.640 56.400 0.056 0.000 0.804 526 E CB -0.092 29.672 29.700 0.105 0.000 0.745 526 E HN 0.368 nan 8.360 nan 0.000 0.458 527 L N 0.233 121.419 121.223 -0.062 0.000 2.131 527 L HA -0.099 4.241 4.340 0.001 0.000 0.206 527 L C 2.671 179.557 176.870 0.025 0.000 1.087 527 L CA 0.795 55.561 54.840 -0.124 0.000 0.767 527 L CB -0.224 41.737 42.059 -0.163 0.000 0.917 527 L HN 0.175 nan 8.230 nan 0.000 0.441 528 Q N -0.511 119.312 119.800 0.039 0.000 2.050 528 Q HA -0.276 4.065 4.340 0.001 0.000 0.202 528 Q C 2.204 178.180 176.000 -0.040 0.000 0.980 528 Q CA 1.586 57.435 55.803 0.077 0.000 0.840 528 Q CB -0.081 28.732 28.738 0.125 0.000 0.898 528 Q HN 0.269 nan 8.270 nan 0.000 0.424 529 Q N 0.143 119.918 119.800 -0.042 0.000 2.084 529 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 529 Q C 1.754 177.742 176.000 -0.019 0.000 0.978 529 Q CA 2.114 57.877 55.803 -0.065 0.000 0.844 529 Q CB -0.410 28.314 28.738 -0.024 0.000 0.898 529 Q HN 0.548 nan 8.270 nan 0.000 0.426 530 H N -0.838 118.216 119.070 -0.026 0.000 2.321 530 H HA -0.125 4.431 4.556 0.000 0.000 0.295 530 H C 1.719 177.034 175.328 -0.021 0.000 1.102 530 H CA 2.416 58.469 56.048 0.009 0.000 1.266 530 H CB -0.332 29.468 29.762 0.064 0.000 1.363 530 H HN 0.132 nan 8.280 nan 0.000 0.492 531 V N 0.946 120.773 119.914 -0.145 0.000 2.343 531 V HA -0.253 3.868 4.120 0.001 0.000 0.247 531 V C 2.347 178.314 176.094 -0.212 0.000 1.051 531 V CA 2.319 64.501 62.300 -0.196 0.000 1.036 531 V CB -0.459 31.350 31.823 -0.023 0.000 0.654 531 V HN 0.467 nan 8.190 nan 0.000 0.451 532 K N 0.776 121.066 120.400 -0.184 0.000 2.147 532 K HA -0.142 4.179 4.320 0.001 0.000 0.205 532 K C 2.255 178.747 176.600 -0.179 0.000 1.049 532 K CA 1.689 57.856 56.287 -0.201 0.000 0.936 532 K CB -0.298 32.050 32.500 -0.254 0.000 0.722 532 K HN 0.659 nan 8.250 nan 0.000 0.446 533 S N 0.188 115.780 115.700 -0.179 0.000 2.489 533 S HA -0.046 4.424 4.470 0.001 0.000 0.228 533 S C 1.875 176.380 174.600 -0.159 0.000 0.995 533 S CA 0.720 58.835 58.200 -0.141 0.000 0.934 533 S CB -0.078 63.066 63.200 -0.093 0.000 0.771 533 S HN 0.184 nan 8.310 nan 0.000 0.522 534 V N -3.173 116.600 119.914 -0.235 0.000 3.635 534 V HA 0.446 4.566 4.120 0.001 0.000 0.266 534 V C 0.565 176.559 176.094 -0.168 0.000 1.316 534 V CA 0.415 62.592 62.300 -0.205 0.000 1.060 534 V CB -0.003 31.646 31.823 -0.289 0.000 0.820 534 V HN 0.400 nan 8.190 nan 0.000 0.447 535 T N 0.117 114.557 114.554 -0.190 0.000 2.812 535 T HA 0.725 5.076 4.350 0.001 0.000 0.294 535 T C -0.422 174.140 174.700 -0.230 0.000 1.159 535 T CA 0.142 62.126 62.100 -0.194 0.000 1.008 535 T CB 1.618 70.360 68.868 -0.210 0.000 1.289 535 T HN 0.890 nan 8.240 nan 0.000 0.514 536 A N 2.714 125.364 122.820 -0.284 0.000 2.548 536 A HA 0.383 4.703 4.320 0.001 0.000 0.247 536 A C -1.650 175.662 177.584 -0.453 0.000 1.067 536 A CA -0.627 51.214 52.037 -0.327 0.000 0.757 536 A CB -0.293 18.508 19.000 -0.333 0.000 0.996 536 A HN 0.658 nan 8.150 nan 0.000 0.504 537 P HA -0.169 nan 4.420 nan 0.000 0.222 537 P C 1.006 178.221 177.300 -0.141 0.000 1.147 537 P CA 1.475 64.460 63.100 -0.192 0.000 0.790 537 P CB -0.217 31.396 31.700 -0.144 0.000 0.780 538 Y N 1.535 121.690 120.300 -0.241 0.000 2.365 538 Y HA -0.164 4.386 4.550 0.000 0.000 0.287 538 Y C 1.388 177.126 175.900 -0.270 0.000 1.162 538 Y CA 0.964 58.816 58.100 -0.413 0.000 1.260 538 Y CB -1.499 36.258 38.460 -1.172 0.000 0.976 538 Y HN 0.046 nan 8.280 nan 0.000 0.548 539 K N 0.446 120.559 120.400 -0.479 0.000 2.440 539 K HA 0.104 4.424 4.320 0.001 0.000 0.206 539 K C -0.404 176.102 176.600 -0.157 0.000 1.025 539 K CA -0.559 55.554 56.287 -0.290 0.000 1.135 539 K CB -0.759 31.490 32.500 -0.419 0.000 0.856 539 K HN 0.444 nan 8.250 nan 0.000 0.502 540 Y N 1.608 121.783 120.300 -0.209 0.000 2.397 540 Y HA 0.294 4.845 4.550 0.000 0.000 0.335 540 Y C -2.406 173.426 175.900 -0.114 0.000 1.213 540 Y CA -2.764 55.245 58.100 -0.152 0.000 1.391 540 Y CB 0.184 38.562 38.460 -0.138 0.000 1.293 540 Y HN -0.032 nan 8.280 nan 0.000 0.557 541 P HA 0.152 nan 4.420 nan 0.000 0.274 541 P C -0.437 176.618 177.300 -0.408 0.000 1.291 541 P CA 0.015 62.948 63.100 -0.278 0.000 0.815 541 P CB 0.869 32.479 31.700 -0.149 0.000 0.897 542 R N 2.109 122.262 120.500 -0.578 0.000 2.235 542 R HA 0.044 4.385 4.340 0.001 0.000 0.213 542 R C 0.611 176.767 176.300 -0.240 0.000 1.059 542 R CA 0.827 56.638 56.100 -0.482 0.000 0.997 542 R CB 0.115 30.148 30.300 -0.444 0.000 0.884 542 R HN 0.476 nan 8.270 nan 0.000 0.462 543 K N 0.805 121.053 120.400 -0.252 0.000 2.324 543 K HA 0.474 4.795 4.320 0.001 0.000 0.253 543 K C -0.921 175.502 176.600 -0.296 0.000 0.932 543 K CA -0.453 55.688 56.287 -0.245 0.000 0.799 543 K CB 2.514 34.860 32.500 -0.257 0.000 1.154 543 K HN -0.119 nan 8.250 nan 0.000 0.425 544 I N 1.747 122.118 120.570 -0.332 0.000 2.533 544 I HA 0.236 4.406 4.170 0.001 0.000 0.290 544 I C -0.779 174.986 176.117 -0.587 0.000 1.056 544 I CA -0.626 60.395 61.300 -0.466 0.000 1.057 544 I CB 2.281 39.989 38.000 -0.488 0.000 1.240 544 I HN 0.617 nan 8.210 nan 0.000 0.423 545 E N 5.758 125.580 120.200 -0.630 0.000 2.210 545 E HA 0.487 4.837 4.350 0.001 0.000 0.266 545 E C -1.641 174.719 176.600 -0.399 0.000 0.883 545 E CA -0.632 55.473 56.400 -0.491 0.000 0.761 545 E CB 1.342 30.812 29.700 -0.384 0.000 1.156 545 E HN 0.288 nan 8.360 nan 0.000 0.412 546 F N 3.883 123.837 119.950 0.005 0.000 2.411 546 F HA 0.314 4.841 4.527 0.000 0.000 0.350 546 F C 0.246 176.092 175.800 0.076 0.000 1.114 546 F CA -0.533 57.489 58.000 0.036 0.000 1.135 546 F CB 1.264 40.274 39.000 0.018 0.000 1.120 546 F HN 0.240 nan 8.300 nan 0.000 0.495 547 V N 1.956 122.036 119.914 0.276 0.000 3.102 547 V HA 0.495 4.615 4.120 0.001 0.000 0.312 547 V C 0.105 176.280 176.094 0.135 0.000 1.135 547 V CA -0.966 61.446 62.300 0.186 0.000 1.022 547 V CB 2.055 33.982 31.823 0.174 0.000 1.056 547 V HN 0.759 nan 8.190 nan 0.000 0.436 548 L N 1.184 122.460 121.223 0.088 0.000 2.249 548 L HA 0.255 4.595 4.340 0.001 0.000 0.207 548 L C 0.647 177.544 176.870 0.044 0.000 1.090 548 L CA 1.126 56.002 54.840 0.060 0.000 0.802 548 L CB -0.191 41.894 42.059 0.044 0.000 0.947 548 L HN 1.039 nan 8.230 nan 0.000 0.453 549 N N -1.402 117.318 118.700 0.035 0.000 2.853 549 N HA 0.608 5.348 4.740 0.001 0.000 0.258 549 N C -1.257 174.249 175.510 -0.007 0.000 1.444 549 N CA -0.793 52.266 53.050 0.014 0.000 0.837 549 N CB 1.341 39.830 38.487 0.003 0.000 1.489 549 N HN -0.190 nan 8.380 nan 0.000 0.529 550 L N -0.828 120.380 121.223 -0.026 0.000 2.333 550 L HA 0.711 5.051 4.340 0.001 0.000 0.263 550 L C -2.442 174.385 176.870 -0.072 0.000 1.014 550 L CA -2.038 52.760 54.840 -0.070 0.000 0.820 550 L CB 2.342 44.367 42.059 -0.057 0.000 1.352 550 L HN 0.523 nan 8.230 nan 0.000 0.421 551 P HA 0.302 nan 4.420 nan 0.000 0.282 551 P C -1.602 175.661 177.300 -0.060 0.000 1.262 551 P CA -0.419 62.633 63.100 -0.079 0.000 0.773 551 P CB 0.603 32.243 31.700 -0.100 0.000 0.879 552 K N 0.883 121.258 120.400 -0.042 0.000 2.385 552 K HA 0.501 4.821 4.320 0.001 0.000 0.248 552 K C 0.492 177.076 176.600 -0.026 0.000 0.955 552 K CA -0.804 55.464 56.287 -0.032 0.000 0.816 552 K CB 1.599 34.086 32.500 -0.023 0.000 1.250 552 K HN 0.434 nan 8.250 nan 0.000 0.434 553 T N -2.406 112.134 114.554 -0.023 0.000 2.667 553 T HA 0.003 4.353 4.350 0.001 0.000 0.305 553 T C 1.532 176.223 174.700 -0.015 0.000 1.022 553 T CA -0.120 61.968 62.100 -0.019 0.000 0.995 553 T CB 0.417 69.274 68.868 -0.018 0.000 1.026 553 T HN 0.442 nan 8.240 nan 0.000 0.527 554 V N -1.303 118.603 119.914 -0.013 0.000 2.871 554 V HA 0.018 4.138 4.120 0.001 0.000 0.256 554 V C 2.455 178.543 176.094 -0.009 0.000 1.082 554 V CA 1.587 63.881 62.300 -0.011 0.000 1.105 554 V CB -1.961 29.856 31.823 -0.009 0.000 0.713 554 V HN 1.092 nan 8.190 nan 0.000 0.473 555 T N -2.817 111.731 114.554 -0.009 0.000 3.160 555 T HA 0.392 4.743 4.350 0.001 0.000 0.257 555 T C 1.670 176.366 174.700 -0.007 0.000 1.147 555 T CA 1.046 63.141 62.100 -0.007 0.000 1.064 555 T CB 0.184 69.047 68.868 -0.007 0.000 0.949 555 T HN 1.461 nan 8.240 nan 0.000 0.526 556 G N 0.692 109.487 108.800 -0.009 0.000 2.218 556 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 556 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 556 G C 0.099 174.993 174.900 -0.010 0.000 0.994 556 G CA -0.337 44.758 45.100 -0.008 0.000 0.637 556 G HN 0.514 nan 8.290 nan 0.000 0.505 557 K N 1.305 121.699 120.400 -0.012 0.000 2.472 557 K HA 0.267 4.587 4.320 0.001 0.000 0.280 557 K C 0.992 177.581 176.600 -0.019 0.000 1.028 557 K CA 0.044 56.323 56.287 -0.013 0.000 1.045 557 K CB 0.096 32.587 32.500 -0.014 0.000 0.902 557 K HN 0.464 nan 8.250 nan 0.000 0.478 558 I N 3.633 124.192 120.570 -0.019 0.000 2.575 558 I HA -0.021 4.149 4.170 0.001 0.000 0.285 558 I C 0.825 176.922 176.117 -0.033 0.000 1.085 558 I CA 0.040 61.323 61.300 -0.029 0.000 1.403 558 I CB 0.595 38.581 38.000 -0.024 0.000 1.409 558 I HN 0.300 nan 8.210 nan 0.000 0.557 559 Q N 5.835 125.606 119.800 -0.048 0.000 2.571 559 Q HA 0.242 4.582 4.340 0.001 0.000 0.222 559 Q C 0.722 176.688 176.000 -0.056 0.000 1.167 559 Q CA -0.229 55.545 55.803 -0.048 0.000 0.966 559 Q CB 0.790 29.497 28.738 -0.052 0.000 1.274 559 Q HN 0.470 nan 8.270 nan 0.000 0.552 560 R N 0.965 121.445 120.500 -0.034 0.000 2.066 560 R HA -0.164 4.176 4.340 0.001 0.000 0.232 560 R C 2.105 178.399 176.300 -0.010 0.000 1.131 560 R CA 1.473 57.563 56.100 -0.016 0.000 0.955 560 R CB -0.213 30.093 30.300 0.009 0.000 0.851 560 R HN 0.590 nan 8.270 nan 0.000 0.432 561 A N 1.409 124.217 122.820 -0.019 0.000 1.917 561 A HA -0.296 4.024 4.320 0.001 0.000 0.219 561 A C 2.053 179.624 177.584 -0.021 0.000 1.182 561 A CA 1.924 53.946 52.037 -0.024 0.000 0.633 561 A CB -0.441 18.538 19.000 -0.035 0.000 0.819 561 A HN 0.237 nan 8.150 nan 0.000 0.448 562 K N -0.561 119.820 120.400 -0.033 0.000 2.026 562 K HA -0.016 4.305 4.320 0.001 0.000 0.208 562 K C 1.861 178.436 176.600 -0.042 0.000 1.048 562 K CA 1.383 57.646 56.287 -0.039 0.000 0.929 562 K CB -0.313 32.155 32.500 -0.054 0.000 0.713 562 K HN 0.474 nan 8.250 nan 0.000 0.439 563 L N 0.217 121.394 121.223 -0.077 0.000 2.201 563 L HA -0.135 4.206 4.340 0.001 0.000 0.212 563 L C 2.669 179.585 176.870 0.077 0.000 1.105 563 L CA 1.082 55.854 54.840 -0.114 0.000 0.775 563 L CB -0.247 41.639 42.059 -0.288 0.000 0.913 563 L HN 0.252 nan 8.230 nan 0.000 0.440 564 R N -0.072 120.490 120.500 0.104 0.000 2.093 564 R HA -0.127 4.214 4.340 0.001 0.000 0.224 564 R C 1.709 178.128 176.300 0.197 0.000 1.101 564 R CA 1.301 57.520 56.100 0.199 0.000 0.979 564 R CB 0.029 30.391 30.300 0.102 0.000 0.877 564 R HN 0.221 nan 8.270 nan 0.000 0.441 565 D N 0.601 121.055 120.400 0.090 0.000 2.144 565 D HA -0.165 4.475 4.640 0.001 0.000 0.199 565 D C 1.557 177.928 176.300 0.118 0.000 0.984 565 D CA 1.177 55.224 54.000 0.078 0.000 0.834 565 D CB -0.016 40.798 40.800 0.024 0.000 0.955 565 D HN 0.251 nan 8.370 nan 0.000 0.465 566 K N 0.408 120.870 120.400 0.103 0.000 2.025 566 K HA -0.162 4.158 4.320 0.001 0.000 0.207 566 K C 1.948 178.632 176.600 0.141 0.000 1.049 566 K CA 1.040 57.386 56.287 0.098 0.000 0.933 566 K CB 0.117 32.654 32.500 0.061 0.000 0.714 566 K HN -0.147 nan 8.250 nan 0.000 0.438 567 E N -0.107 120.216 120.200 0.204 0.000 2.110 567 E HA -0.171 4.179 4.350 0.001 0.000 0.193 567 E C 0.168 176.826 176.600 0.097 0.000 0.988 567 E CA 1.249 57.752 56.400 0.173 0.000 0.804 567 E CB -0.113 29.733 29.700 0.244 0.000 0.745 567 E HN 0.335 nan 8.360 nan 0.000 0.458 568 W N 2.435 123.754 121.300 0.033 0.000 3.066 568 W HA 0.287 4.947 4.660 0.000 0.000 0.442 568 W C -0.144 176.382 176.519 0.013 0.000 0.820 568 W CA -0.102 57.254 57.345 0.019 0.000 2.047 568 W CB -0.590 28.880 29.460 0.016 0.000 0.980 568 W HN -0.083 nan 8.180 nan 0.000 0.825 569 K N 0.000 120.478 120.400 0.131 0.000 2.780 569 K HA 0.000 4.320 4.320 0.001 0.000 0.191 569 K CA 0.000 56.339 56.287 0.087 0.000 0.838 569 K CB 0.000 32.541 32.500 0.068 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543