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 1itw_1_C DATA FIRST_RESID 2 DATA SEQUENCE STPKIIYTLT DEAPALATYS LLPIIKAFTG SSGIAVETRD ISLAGRLIAT DATA SEQUENCE FPEYLTDTQK ISDDLAELGK LATTPDANII KLPNISASVP QLKAAIKELQ DATA SEQUENCE QQGYKLPDYP EEPKTDTEKD VKARYDKIKG SAVNPVLREG NSDRRAPLSV DATA SEQUENCE KNYARKHPHK MGAWSADSKS HVAHMDNGDF YGSEKAALIG APGSVKIELI DATA SEQUENCE AKDGSSTVLK AKTSVQAGEI IDSSVMSKNA LRNFIAAEIE DAKKQGVLLS DATA SEQUENCE VHLKATMMKV SDPIMFGQIV SEFYKDALTK HAEVLKQIGF DVNNGIGDLY DATA SEQUENCE ARIKTLPEAK QKEIEADIQA VYAQRPQLAM VNSDKGITNL HVPSDVIVDA DATA SEQUENCE SMPAMIRDSG KMWGPDGKLH DTKAVIPDRC YAGVYQVVIE DCKQHGAFDP DATA SEQUENCE TTMGSVPNVG LMAQKAEEYG SHDKTFQIPA DGVVRVTDES GKLLLEQSVE DATA SEQUENCE AGDIWRMCQA KDAPIQDWVK LAVNRARATN TPAVFWLDPA RAHDAQVIAK DATA SEQUENCE VERYLKDYDT SGLDIRILSP VEATRFSLAR IREGKDTISV TGNVLRDYLT DATA SEQUENCE DLFPIMELGT SAKMLSIVPL MSGGGLFETG AGGSAPKHVQ QFLEEGYLRW DATA SEQUENCE DSLGEFLALA ASLEHLGNAY KNPKALVLAS TLDQATGKIL DNNKSPARKV DATA SEQUENCE GEIDNRGSHF YLALYWAQAL AAQTEDKELQ AQFTGIAKAL TDNETKIVGE DATA SEQUENCE LAAAQGKPVD IAGYYHPNTD LTSKAMRPSA TFNAALAPL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.634 174.600 0.057 0.000 1.055 2 S CA 0.000 58.242 58.200 0.071 0.000 1.107 2 S CB 0.000 63.255 63.200 0.092 0.000 0.593 3 T N 4.745 119.308 114.554 0.015 0.000 2.851 3 T HA 0.436 4.786 4.350 -0.000 0.000 0.298 3 T C -2.507 172.135 174.700 -0.098 0.000 0.977 3 T CA -0.527 61.554 62.100 -0.031 0.000 1.126 3 T CB 0.397 69.251 68.868 -0.024 0.000 0.916 3 T HN 0.199 nan 8.240 nan 0.000 0.529 4 P HA 0.090 nan 4.420 nan 0.000 0.261 4 P C -0.466 176.724 177.300 -0.182 0.000 1.173 4 P CA 0.243 63.096 63.100 -0.412 0.000 0.760 4 P CB 0.377 31.789 31.700 -0.481 0.000 0.783 5 K N 3.494 123.819 120.400 -0.124 0.000 2.443 5 K HA 0.546 4.866 4.320 -0.000 0.000 0.252 5 K C -1.153 175.456 176.600 0.015 0.000 0.933 5 K CA -0.617 55.652 56.287 -0.029 0.000 0.792 5 K CB 1.114 33.615 32.500 0.003 0.000 1.185 5 K HN 0.339 nan 8.250 nan 0.000 0.425 6 I N 5.282 125.874 120.570 0.037 0.000 2.406 6 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 6 I C -0.418 175.756 176.117 0.096 0.000 0.999 6 I CA -1.093 60.253 61.300 0.076 0.000 1.124 6 I CB 1.581 39.632 38.000 0.085 0.000 1.289 6 I HN 0.463 nan 8.210 nan 0.000 0.441 7 I N 6.590 127.221 120.570 0.101 0.000 2.315 7 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 7 I C -0.557 175.637 176.117 0.128 0.000 1.006 7 I CA -0.462 60.896 61.300 0.098 0.000 1.265 7 I CB 0.618 38.653 38.000 0.059 0.000 1.387 7 I HN 0.442 nan 8.210 nan 0.000 0.475 8 Y N 5.357 125.662 120.300 0.007 0.000 2.331 8 Y HA 0.291 4.841 4.550 -0.000 0.000 0.338 8 Y C 0.809 176.701 175.900 -0.013 0.000 0.976 8 Y CA -0.643 57.456 58.100 -0.000 0.000 1.137 8 Y CB 1.308 39.761 38.460 -0.012 0.000 1.172 8 Y HN 0.656 nan 8.280 nan 0.000 0.478 9 T N 4.253 118.680 114.554 -0.211 0.000 2.832 9 T HA 0.424 4.774 4.350 -0.000 0.000 0.296 9 T C -0.657 173.993 174.700 -0.083 0.000 0.968 9 T CA -0.769 61.261 62.100 -0.117 0.000 1.107 9 T CB 0.595 69.381 68.868 -0.138 0.000 0.916 9 T HN 0.359 nan 8.240 nan 0.000 0.517 10 L N 4.769 125.977 121.223 -0.025 0.000 2.265 10 L HA 0.449 4.789 4.340 -0.000 0.000 0.288 10 L C 1.293 178.139 176.870 -0.039 0.000 1.058 10 L CA 0.151 54.976 54.840 -0.025 0.000 0.809 10 L CB 0.828 42.874 42.059 -0.022 0.000 1.179 10 L HN 1.170 nan 8.230 nan 0.000 0.429 11 T N -0.852 113.665 114.554 -0.062 0.000 2.482 11 T HA 0.552 4.902 4.350 -0.000 0.000 0.211 11 T C -0.256 174.401 174.700 -0.072 0.000 0.922 11 T CA -0.691 61.368 62.100 -0.068 0.000 1.141 11 T CB 0.877 69.686 68.868 -0.099 0.000 2.503 11 T HN 0.353 nan 8.240 nan 0.000 0.487 12 D N 0.017 120.350 120.400 -0.112 0.000 2.450 12 D HA 0.443 5.083 4.640 -0.000 0.000 0.238 12 D C 0.298 176.443 176.300 -0.259 0.000 1.020 12 D CA -0.457 53.460 54.000 -0.138 0.000 1.010 12 D CB 1.963 42.727 40.800 -0.059 0.000 1.342 12 D HN 0.793 nan 8.370 nan 0.000 0.530 13 E N 0.199 120.191 120.200 -0.348 0.000 3.498 13 E HA -0.383 3.967 4.350 -0.000 0.000 0.395 13 E C 1.383 177.730 176.600 -0.422 0.000 1.577 13 E CA 1.505 57.640 56.400 -0.441 0.000 1.700 13 E CB -1.008 28.483 29.700 -0.347 0.000 1.647 13 E HN 0.538 nan 8.360 nan 0.000 0.442 14 A N 0.805 123.359 122.820 -0.443 0.000 1.873 14 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 14 A C -0.362 176.643 177.584 -0.966 0.000 1.193 14 A CA 2.770 54.461 52.037 -0.578 0.000 0.629 14 A CB -1.678 17.072 19.000 -0.417 0.000 0.826 14 A HN 0.380 nan 8.150 nan 0.000 0.447 15 P HA -0.126 nan 4.420 nan 0.000 0.216 15 P C 1.717 178.748 177.300 -0.449 0.000 1.150 15 P CA 1.956 64.426 63.100 -1.050 0.000 0.837 15 P CB -0.139 31.122 31.700 -0.732 0.000 0.786 16 A N -0.682 121.935 122.820 -0.338 0.000 1.902 16 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 16 A C 2.218 179.804 177.584 0.003 0.000 1.181 16 A CA 1.446 53.407 52.037 -0.127 0.000 0.623 16 A CB -1.641 17.295 19.000 -0.107 0.000 0.818 16 A HN 0.104 nan 8.150 nan 0.000 0.443 17 L N -0.801 120.327 121.223 -0.157 0.000 2.017 17 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 17 L C 3.132 179.963 176.870 -0.064 0.000 1.073 17 L CA 1.131 55.869 54.840 -0.171 0.000 0.745 17 L CB -0.653 41.126 42.059 -0.467 0.000 0.894 17 L HN 0.432 nan 8.230 nan 0.000 0.432 18 A N -0.417 122.320 122.820 -0.139 0.000 1.948 18 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 18 A C 2.326 180.042 177.584 0.220 0.000 1.177 18 A CA 2.445 54.517 52.037 0.058 0.000 0.636 18 A CB -0.979 18.065 19.000 0.074 0.000 0.815 18 A HN 0.429 nan 8.150 nan 0.000 0.449 19 T N -1.410 113.219 114.554 0.126 0.000 2.833 19 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 19 T C 1.565 176.289 174.700 0.040 0.000 1.054 19 T CA 1.548 63.714 62.100 0.110 0.000 1.135 19 T CB -0.434 68.493 68.868 0.098 0.000 0.869 19 T HN 0.584 nan 8.240 nan 0.000 0.466 20 Y N 0.933 121.234 120.300 0.002 0.000 2.333 20 Y HA -0.086 4.464 4.550 -0.000 0.000 0.290 20 Y C 2.904 178.821 175.900 0.029 0.000 1.144 20 Y CA 1.066 59.164 58.100 -0.004 0.000 1.228 20 Y CB -0.208 38.236 38.460 -0.028 0.000 0.985 20 Y HN 0.207 nan 8.280 nan 0.000 0.542 21 S N -0.967 114.878 115.700 0.243 0.000 2.427 21 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 21 S C 1.879 176.617 174.600 0.230 0.000 1.047 21 S CA 0.425 58.791 58.200 0.277 0.000 0.953 21 S CB -0.442 62.996 63.200 0.397 0.000 0.824 21 S HN 0.307 nan 8.310 nan 0.000 0.502 22 L N 1.873 123.178 121.223 0.136 0.000 2.044 22 L HA 0.274 4.614 4.340 -0.000 0.000 0.205 22 L C 2.192 178.971 176.870 -0.151 0.000 1.075 22 L CA 1.446 56.197 54.840 -0.148 0.000 0.747 22 L CB -0.806 41.056 42.059 -0.329 0.000 0.903 22 L HN 0.393 nan 8.230 nan 0.000 0.435 23 L N -0.182 120.915 121.223 -0.210 0.000 2.021 23 L HA -0.222 4.117 4.340 -0.000 0.000 0.215 23 L C -0.204 176.560 176.870 -0.176 0.000 1.074 23 L CA 1.966 56.611 54.840 -0.324 0.000 0.760 23 L CB -1.453 40.409 42.059 -0.329 0.000 0.889 23 L HN 0.252 nan 8.230 nan 0.000 0.433 24 P HA -0.198 nan 4.420 nan 0.000 0.216 24 P C 1.727 179.007 177.300 -0.035 0.000 1.153 24 P CA 1.586 64.644 63.100 -0.070 0.000 0.858 24 P CB 0.030 31.695 31.700 -0.060 0.000 0.789 25 I N -1.444 119.115 120.570 -0.019 0.000 2.252 25 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 25 I C 2.257 178.441 176.117 0.112 0.000 1.102 25 I CA 1.323 62.660 61.300 0.061 0.000 1.385 25 I CB -0.570 37.444 38.000 0.023 0.000 1.064 25 I HN -0.120 nan 8.210 nan 0.000 0.414 26 I N 0.801 121.386 120.570 0.024 0.000 2.226 26 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 26 I C 2.466 178.631 176.117 0.080 0.000 1.100 26 I CA 1.569 62.910 61.300 0.069 0.000 1.374 26 I CB -0.424 37.523 38.000 -0.088 0.000 1.057 26 I HN 0.191 nan 8.210 nan 0.000 0.413 27 K N 0.875 121.280 120.400 0.010 0.000 2.097 27 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 27 K C 2.286 178.904 176.600 0.030 0.000 1.050 27 K CA 1.369 57.659 56.287 0.005 0.000 0.938 27 K CB -0.212 32.267 32.500 -0.035 0.000 0.718 27 K HN 0.300 nan 8.250 nan 0.000 0.442 28 A N 0.682 123.540 122.820 0.063 0.000 1.898 28 A HA -0.113 4.206 4.320 -0.000 0.000 0.216 28 A C 1.774 179.367 177.584 0.014 0.000 1.181 28 A CA 1.237 53.290 52.037 0.027 0.000 0.620 28 A CB -0.517 18.515 19.000 0.054 0.000 0.819 28 A HN 0.183 nan 8.150 nan 0.000 0.442 29 F N 0.432 120.321 119.950 -0.101 0.000 2.615 29 F HA -0.005 4.522 4.527 -0.000 0.000 0.297 29 F C 2.573 178.325 175.800 -0.081 0.000 1.124 29 F CA 1.545 59.456 58.000 -0.149 0.000 1.451 29 F CB -0.175 38.390 39.000 -0.725 0.000 1.103 29 F HN 0.363 nan 8.300 nan 0.000 0.569 30 T N -4.064 110.568 114.554 0.130 0.000 3.022 30 T HA 0.234 4.584 4.350 -0.000 0.000 0.250 30 T C 2.274 177.002 174.700 0.046 0.000 1.060 30 T CA 0.569 62.729 62.100 0.101 0.000 1.013 30 T CB -0.416 68.521 68.868 0.116 0.000 0.982 30 T HN 0.175 nan 8.240 nan 0.000 0.508 31 G N 2.749 111.557 108.800 0.012 0.000 2.586 31 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.218 31 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.218 31 G C 1.897 176.780 174.900 -0.029 0.000 1.216 31 G CA 1.645 46.731 45.100 -0.024 0.000 0.786 31 G HN 0.751 nan 8.290 nan 0.000 0.583 32 S N -0.174 115.499 115.700 -0.045 0.000 2.507 32 S HA 0.055 4.525 4.470 -0.000 0.000 0.235 32 S C 1.890 176.489 174.600 -0.002 0.000 0.988 32 S CA 1.350 59.525 58.200 -0.041 0.000 0.944 32 S CB -0.050 63.103 63.200 -0.077 0.000 0.762 32 S HN 0.135 nan 8.310 nan 0.000 0.526 33 S N 1.035 116.747 115.700 0.021 0.000 2.710 33 S HA 0.454 4.923 4.470 -0.000 0.000 0.224 33 S C 1.146 175.753 174.600 0.011 0.000 0.948 33 S CA 0.182 58.399 58.200 0.029 0.000 0.949 33 S CB -0.372 62.859 63.200 0.051 0.000 0.778 33 S HN 1.037 nan 8.310 nan 0.000 0.498 34 G N 2.013 110.812 108.800 -0.002 0.000 2.295 34 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.287 34 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.287 34 G C -0.171 174.712 174.900 -0.028 0.000 1.055 34 G CA 0.003 45.094 45.100 -0.014 0.000 0.922 34 G HN 0.547 nan 8.290 nan 0.000 0.503 35 I N 0.028 120.586 120.570 -0.019 0.000 2.465 35 I HA 0.645 4.815 4.170 -0.000 0.000 0.291 35 I C 0.407 176.513 176.117 -0.018 0.000 1.014 35 I CA -0.963 60.320 61.300 -0.028 0.000 1.093 35 I CB 2.198 40.196 38.000 -0.003 0.000 1.267 35 I HN 0.279 nan 8.210 nan 0.000 0.431 36 A N 6.338 129.143 122.820 -0.026 0.000 2.260 36 A HA 0.716 5.036 4.320 -0.000 0.000 0.314 36 A C -0.635 176.950 177.584 0.002 0.000 1.257 36 A CA -0.461 51.568 52.037 -0.013 0.000 0.871 36 A CB 0.918 19.909 19.000 -0.015 0.000 1.166 36 A HN 0.453 nan 8.150 nan 0.000 0.522 37 V N 4.086 124.004 119.914 0.006 0.000 2.328 37 V HA 0.315 4.435 4.120 -0.000 0.000 0.278 37 V C 0.018 176.124 176.094 0.019 0.000 1.021 37 V CA -0.328 61.984 62.300 0.020 0.000 0.838 37 V CB 0.826 32.651 31.823 0.002 0.000 0.999 37 V HN 0.997 nan 8.190 nan 0.000 0.447 38 E N 2.392 122.617 120.200 0.041 0.000 2.249 38 E HA 0.689 5.039 4.350 -0.000 0.000 0.263 38 E C -0.396 176.243 176.600 0.065 0.000 0.950 38 E CA -0.718 55.705 56.400 0.038 0.000 0.827 38 E CB 2.398 32.118 29.700 0.033 0.000 1.220 38 E HN 0.728 nan 8.360 nan 0.000 0.411 39 T N -0.730 113.853 114.554 0.048 0.000 2.932 39 T HA 0.661 5.011 4.350 -0.000 0.000 0.289 39 T C -0.255 174.469 174.700 0.039 0.000 1.039 39 T CA -1.120 61.016 62.100 0.060 0.000 1.024 39 T CB 1.518 70.406 68.868 0.034 0.000 1.090 39 T HN 0.179 nan 8.240 nan 0.000 0.496 40 R N 1.426 121.946 120.500 0.034 0.000 2.564 40 R HA 0.386 4.726 4.340 -0.000 0.000 0.284 40 R C -1.721 174.588 176.300 0.014 0.000 1.031 40 R CA -0.702 55.411 56.100 0.022 0.000 0.904 40 R CB 1.865 32.175 30.300 0.017 0.000 1.199 40 R HN 0.850 nan 8.270 nan 0.000 0.443 41 D N 3.789 124.201 120.400 0.020 0.000 2.393 41 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 41 D C 0.863 177.174 176.300 0.019 0.000 1.192 41 D CA -0.351 53.663 54.000 0.023 0.000 0.882 41 D CB 0.448 41.274 40.800 0.043 0.000 1.038 41 D HN 0.609 nan 8.370 nan 0.000 0.499 42 I N 0.886 121.459 120.570 0.005 0.000 3.877 42 I HA 0.236 4.406 4.170 -0.000 0.000 0.332 42 I C 0.413 176.532 176.117 0.004 0.000 1.525 42 I CA -0.725 60.576 61.300 0.002 0.000 1.146 42 I CB -0.012 37.982 38.000 -0.011 0.000 1.137 42 I HN 0.106 nan 8.210 nan 0.000 0.424 43 S N 0.673 116.382 115.700 0.015 0.000 2.584 43 S HA 0.186 4.656 4.470 -0.000 0.000 0.270 43 S C 1.132 175.750 174.600 0.031 0.000 1.346 43 S CA -0.595 57.620 58.200 0.025 0.000 1.018 43 S CB 1.784 65.013 63.200 0.048 0.000 0.899 43 S HN 0.504 nan 8.310 nan 0.000 0.542 44 L N 1.278 122.525 121.223 0.040 0.000 1.989 44 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 44 L C 2.789 179.651 176.870 -0.015 0.000 1.071 44 L CA 2.123 56.966 54.840 0.005 0.000 0.749 44 L CB -1.163 40.890 42.059 -0.010 0.000 0.890 44 L HN 0.986 nan 8.230 nan 0.000 0.431 45 A N -0.351 122.476 122.820 0.012 0.000 1.933 45 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 45 A C 2.266 179.809 177.584 -0.068 0.000 1.175 45 A CA 1.628 53.633 52.037 -0.053 0.000 0.628 45 A CB -1.309 17.700 19.000 0.014 0.000 0.814 45 A HN 0.567 nan 8.150 nan 0.000 0.444 46 G N -0.651 108.158 108.800 0.015 0.000 2.418 46 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 46 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 46 G C 1.752 176.667 174.900 0.025 0.000 1.158 46 G CA 0.801 45.917 45.100 0.027 0.000 0.771 46 G HN 0.566 nan 8.290 nan 0.000 0.545 47 R N -0.363 120.154 120.500 0.027 0.000 2.148 47 R HA 0.171 4.511 4.340 -0.000 0.000 0.223 47 R C 2.513 178.858 176.300 0.075 0.000 1.088 47 R CA 0.420 56.544 56.100 0.040 0.000 0.985 47 R CB -0.299 30.019 30.300 0.031 0.000 0.880 47 R HN 0.331 nan 8.270 nan 0.000 0.451 48 L N 0.285 121.550 121.223 0.069 0.000 2.072 48 L HA -0.115 4.224 4.340 -0.000 0.000 0.205 48 L C 2.288 179.261 176.870 0.172 0.000 1.079 48 L CA 1.099 56.029 54.840 0.150 0.000 0.752 48 L CB -0.265 41.824 42.059 0.049 0.000 0.906 48 L HN 0.149 nan 8.230 nan 0.000 0.436 49 I N 0.032 120.631 120.570 0.048 0.000 2.226 49 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 49 I C 2.659 178.859 176.117 0.139 0.000 1.100 49 I CA 1.237 62.577 61.300 0.068 0.000 1.374 49 I CB -0.413 37.571 38.000 -0.026 0.000 1.057 49 I HN 0.185 nan 8.210 nan 0.000 0.413 50 A N -0.090 122.789 122.820 0.099 0.000 2.119 50 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 50 A C 2.222 179.838 177.584 0.053 0.000 1.153 50 A CA 1.693 53.777 52.037 0.077 0.000 0.692 50 A CB -0.733 18.298 19.000 0.051 0.000 0.799 50 A HN 0.383 nan 8.150 nan 0.000 0.458 51 T N -1.201 113.397 114.554 0.073 0.000 3.043 51 T HA 0.146 4.496 4.350 -0.000 0.000 0.263 51 T C -0.102 174.391 174.700 -0.345 0.000 1.094 51 T CA 0.652 62.685 62.100 -0.112 0.000 1.127 51 T CB -0.238 68.566 68.868 -0.106 0.000 0.905 51 T HN 0.372 nan 8.240 nan 0.000 0.490 52 F N 0.591 120.545 119.950 0.006 0.000 2.597 52 F HA 0.376 4.902 4.527 -0.000 0.000 0.336 52 F C -2.128 173.767 175.800 0.159 0.000 1.432 52 F CA -2.645 55.397 58.000 0.071 0.000 1.120 52 F CB 1.101 40.073 39.000 -0.047 0.000 1.253 52 F HN -0.042 nan 8.300 nan 0.000 0.546 53 P HA -0.226 nan 4.420 nan 0.000 0.216 53 P C 1.737 179.132 177.300 0.160 0.000 1.150 53 P CA 1.468 64.663 63.100 0.159 0.000 0.837 53 P CB 0.175 31.924 31.700 0.082 0.000 0.786 54 E N -0.709 119.583 120.200 0.152 0.000 2.204 54 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 54 E C 0.999 177.604 176.600 0.008 0.000 0.990 54 E CA 1.483 57.907 56.400 0.042 0.000 0.821 54 E CB -1.217 28.453 29.700 -0.050 0.000 0.750 54 E HN 0.359 nan 8.360 nan 0.000 0.477 55 Y N 0.874 121.241 120.300 0.112 0.000 2.490 55 Y HA 0.307 4.856 4.550 -0.000 0.000 0.281 55 Y C 1.007 176.954 175.900 0.077 0.000 1.174 55 Y CA 0.091 58.249 58.100 0.097 0.000 1.295 55 Y CB 0.300 38.831 38.460 0.119 0.000 1.062 55 Y HN -0.096 nan 8.280 nan 0.000 0.522 56 L N -0.627 120.718 121.223 0.203 0.000 2.319 56 L HA 0.480 4.820 4.340 -0.000 0.000 0.267 56 L C 0.557 177.460 176.870 0.055 0.000 1.011 56 L CA -1.205 53.709 54.840 0.125 0.000 0.818 56 L CB 1.618 43.774 42.059 0.163 0.000 1.316 56 L HN -0.060 nan 8.230 nan 0.000 0.432 57 T N -4.087 110.470 114.554 0.006 0.000 2.788 57 T HA 0.094 4.444 4.350 -0.000 0.000 0.287 57 T C 0.609 175.314 174.700 0.009 0.000 1.007 57 T CA -0.662 61.434 62.100 -0.007 0.000 1.005 57 T CB 0.906 69.751 68.868 -0.038 0.000 1.012 57 T HN 0.525 nan 8.240 nan 0.000 0.530 58 D N 0.703 121.109 120.400 0.009 0.000 2.263 58 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 58 D C 1.895 178.209 176.300 0.024 0.000 0.971 58 D CA 1.204 55.216 54.000 0.020 0.000 0.867 58 D CB -0.271 40.538 40.800 0.015 0.000 0.929 58 D HN 0.672 nan 8.370 nan 0.000 0.492 59 T N 0.660 115.219 114.554 0.009 0.000 3.043 59 T HA -0.045 4.304 4.350 -0.000 0.000 0.263 59 T C 1.871 176.589 174.700 0.029 0.000 1.094 59 T CA 0.633 62.742 62.100 0.015 0.000 1.127 59 T CB 0.153 69.019 68.868 -0.003 0.000 0.905 59 T HN 0.234 nan 8.240 nan 0.000 0.490 60 Q N 0.498 120.302 119.800 0.007 0.000 2.302 60 Q HA 0.143 4.482 4.340 -0.000 0.000 0.202 60 Q C 0.443 176.550 176.000 0.179 0.000 0.936 60 Q CA 0.413 56.246 55.803 0.049 0.000 0.886 60 Q CB 0.167 28.812 28.738 -0.155 0.000 0.986 60 Q HN 0.409 nan 8.270 nan 0.000 0.487 61 K N 1.867 122.339 120.400 0.120 0.000 2.436 61 K HA 0.168 4.488 4.320 -0.000 0.000 0.275 61 K C -0.020 176.650 176.600 0.116 0.000 0.999 61 K CA 0.283 56.643 56.287 0.122 0.000 0.980 61 K CB 0.423 32.974 32.500 0.085 0.000 0.919 61 K HN 0.163 nan 8.250 nan 0.000 0.484 62 I N -2.107 118.530 120.570 0.110 0.000 2.865 62 I HA 0.339 4.509 4.170 -0.000 0.000 0.302 62 I C -0.192 175.967 176.117 0.070 0.000 1.140 62 I CA -1.073 60.283 61.300 0.093 0.000 1.021 62 I CB 2.221 40.285 38.000 0.106 0.000 1.233 62 I HN 0.535 nan 8.210 nan 0.000 0.427 63 S N 1.332 117.065 115.700 0.056 0.000 2.572 63 S HA 0.067 4.537 4.470 -0.000 0.000 0.279 63 S C 0.039 174.662 174.600 0.039 0.000 1.341 63 S CA -0.388 57.837 58.200 0.042 0.000 1.043 63 S CB 0.815 64.036 63.200 0.036 0.000 0.887 63 S HN 0.755 nan 8.310 nan 0.000 0.516 64 D N 1.050 121.467 120.400 0.029 0.000 2.498 64 D HA 0.117 4.756 4.640 -0.000 0.000 0.229 64 D C 0.206 176.518 176.300 0.019 0.000 1.188 64 D CA -0.313 53.700 54.000 0.022 0.000 1.028 64 D CB -0.274 40.533 40.800 0.011 0.000 1.087 64 D HN 0.441 nan 8.370 nan 0.000 0.510 65 D N 2.526 122.940 120.400 0.023 0.000 2.218 65 D HA -0.156 4.483 4.640 -0.000 0.000 0.204 65 D C 1.919 178.227 176.300 0.012 0.000 0.976 65 D CA 0.165 54.176 54.000 0.019 0.000 0.853 65 D CB 0.208 41.020 40.800 0.021 0.000 0.939 65 D HN 0.383 nan 8.370 nan 0.000 0.481 66 L N 0.978 122.207 121.223 0.010 0.000 2.027 66 L HA -0.092 4.247 4.340 -0.000 0.000 0.206 66 L C 2.064 178.936 176.870 0.003 0.000 1.074 66 L CA 1.676 56.519 54.840 0.005 0.000 0.745 66 L CB -0.918 41.144 42.059 0.005 0.000 0.898 66 L HN -0.048 nan 8.230 nan 0.000 0.433 67 A N -0.377 122.445 122.820 0.004 0.000 1.933 67 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 67 A C 2.229 179.816 177.584 0.005 0.000 1.175 67 A CA 1.661 53.700 52.037 0.003 0.000 0.628 67 A CB -0.557 18.443 19.000 0.001 0.000 0.814 67 A HN 0.628 nan 8.150 nan 0.000 0.444 68 E N -0.184 120.021 120.200 0.008 0.000 2.072 68 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 68 E C 1.907 178.512 176.600 0.010 0.000 0.985 68 E CA 0.881 57.288 56.400 0.011 0.000 0.801 68 E CB -0.184 29.525 29.700 0.015 0.000 0.750 68 E HN 0.627 nan 8.360 nan 0.000 0.452 69 L N 0.057 121.284 121.223 0.007 0.000 2.083 69 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 69 L C 2.558 179.427 176.870 -0.001 0.000 1.083 69 L CA 1.123 55.965 54.840 0.003 0.000 0.752 69 L CB -0.559 41.498 42.059 -0.003 0.000 0.899 69 L HN 0.308 nan 8.230 nan 0.000 0.433 70 G N -0.223 108.576 108.800 -0.002 0.000 2.418 70 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 70 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 70 G C 1.697 176.596 174.900 -0.001 0.000 1.158 70 G CA 0.416 45.513 45.100 -0.004 0.000 0.771 70 G HN 0.150 nan 8.290 nan 0.000 0.545 71 K N 0.250 120.652 120.400 0.004 0.000 2.025 71 K HA 0.071 4.390 4.320 -0.000 0.000 0.207 71 K C 2.424 179.030 176.600 0.010 0.000 1.049 71 K CA 0.571 56.862 56.287 0.007 0.000 0.933 71 K CB -1.003 31.503 32.500 0.010 0.000 0.714 71 K HN 0.395 nan 8.250 nan 0.000 0.438 72 L N 1.013 122.244 121.223 0.012 0.000 2.043 72 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 72 L C 2.137 179.015 176.870 0.013 0.000 1.075 72 L CA 1.700 56.551 54.840 0.019 0.000 0.752 72 L CB -0.401 41.671 42.059 0.021 0.000 0.891 72 L HN 0.143 nan 8.230 nan 0.000 0.432 73 A N -1.858 120.962 122.820 0.000 0.000 2.178 73 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 73 A C 2.099 179.677 177.584 -0.009 0.000 1.157 73 A CA 1.799 53.828 52.037 -0.013 0.000 0.689 73 A CB -0.700 18.284 19.000 -0.026 0.000 0.787 73 A HN 0.486 nan 8.150 nan 0.000 0.465 74 T N -0.005 114.549 114.554 0.000 0.000 3.145 74 T HA 0.202 4.552 4.350 -0.000 0.000 0.255 74 T C 0.574 175.281 174.700 0.011 0.000 1.039 74 T CA 0.765 62.867 62.100 0.002 0.000 0.928 74 T CB -0.621 68.248 68.868 0.003 0.000 1.029 74 T HN 0.634 nan 8.240 nan 0.000 0.554 75 T N -1.750 112.815 114.554 0.019 0.000 2.924 75 T HA 0.539 4.889 4.350 -0.000 0.000 0.291 75 T C -2.244 172.481 174.700 0.042 0.000 1.045 75 T CA -1.803 60.315 62.100 0.029 0.000 1.015 75 T CB 1.759 70.649 68.868 0.036 0.000 1.103 75 T HN -0.307 nan 8.240 nan 0.000 0.496 76 P HA -0.016 nan 4.420 nan 0.000 0.215 76 P C 0.625 177.987 177.300 0.105 0.000 1.153 76 P CA 0.945 64.079 63.100 0.056 0.000 0.853 76 P CB -0.012 31.703 31.700 0.024 0.000 0.788 77 D N -0.878 119.596 120.400 0.124 0.000 2.363 77 D HA 0.088 4.728 4.640 -0.000 0.000 0.226 77 D C 0.653 177.070 176.300 0.196 0.000 1.020 77 D CA 0.212 54.343 54.000 0.218 0.000 0.892 77 D CB -0.727 40.212 40.800 0.232 0.000 0.900 77 D HN 0.091 nan 8.370 nan 0.000 0.531 78 A N 1.257 124.152 122.820 0.125 0.000 2.524 78 A HA 0.164 4.483 4.320 -0.000 0.000 0.250 78 A C 0.434 178.063 177.584 0.075 0.000 1.078 78 A CA 0.131 52.215 52.037 0.079 0.000 0.761 78 A CB 0.073 19.090 19.000 0.029 0.000 1.012 78 A HN 0.063 nan 8.150 nan 0.000 0.500 79 N N 2.663 121.412 118.700 0.081 0.000 2.621 79 N HA 0.378 5.118 4.740 -0.000 0.000 0.271 79 N C -1.620 173.961 175.510 0.120 0.000 1.181 79 N CA -0.228 52.888 53.050 0.110 0.000 0.805 79 N CB 0.619 39.200 38.487 0.157 0.000 1.351 79 N HN 0.539 nan 8.380 nan 0.000 0.539 80 I N 3.261 123.900 120.570 0.115 0.000 2.465 80 I HA 0.489 4.659 4.170 -0.000 0.000 0.291 80 I C 0.066 176.271 176.117 0.146 0.000 1.014 80 I CA -0.786 60.567 61.300 0.088 0.000 1.093 80 I CB 2.312 40.318 38.000 0.009 0.000 1.267 80 I HN 0.252 nan 8.210 nan 0.000 0.431 81 I N 5.573 126.181 120.570 0.063 0.000 2.328 81 I HA 0.259 4.428 4.170 -0.000 0.000 0.287 81 I C -0.267 175.744 176.117 -0.177 0.000 1.012 81 I CA -0.651 60.643 61.300 -0.010 0.000 1.195 81 I CB 1.290 39.249 38.000 -0.068 0.000 1.350 81 I HN 0.416 nan 8.210 nan 0.000 0.464 82 K N 7.354 127.691 120.400 -0.106 0.000 2.293 82 K HA 0.540 4.860 4.320 -0.000 0.000 0.267 82 K C -1.311 175.219 176.600 -0.118 0.000 1.010 82 K CA -0.325 55.888 56.287 -0.124 0.000 0.875 82 K CB 0.802 33.260 32.500 -0.070 0.000 1.106 82 K HN 0.347 nan 8.250 nan 0.000 0.450 83 L N 6.124 127.253 121.223 -0.156 0.000 2.399 83 L HA 0.540 4.880 4.340 -0.000 0.000 0.265 83 L C -2.069 174.778 176.870 -0.038 0.000 1.089 83 L CA -2.084 52.703 54.840 -0.088 0.000 0.802 83 L CB 0.815 42.796 42.059 -0.129 0.000 1.180 83 L HN 0.649 nan 8.230 nan 0.000 0.454 84 P HA 0.081 nan 4.420 nan 0.000 0.266 84 P C -1.255 176.027 177.300 -0.030 0.000 1.195 84 P CA 0.045 63.166 63.100 0.035 0.000 0.768 84 P CB 0.310 32.101 31.700 0.152 0.000 0.838 85 N N 2.307 120.996 118.700 -0.020 0.000 2.697 85 N HA 0.358 5.098 4.740 -0.000 0.000 0.272 85 N C -0.984 174.520 175.510 -0.010 0.000 1.381 85 N CA -0.838 52.194 53.050 -0.031 0.000 0.797 85 N CB 1.172 39.642 38.487 -0.029 0.000 1.523 85 N HN 0.114 nan 8.380 nan 0.000 0.518 86 I N 0.769 121.339 120.570 -0.001 0.000 2.441 86 I HA 0.077 4.246 4.170 -0.000 0.000 0.287 86 I C 0.180 176.296 176.117 -0.001 0.000 1.049 86 I CA -0.236 61.073 61.300 0.015 0.000 1.381 86 I CB 1.216 39.248 38.000 0.054 0.000 1.409 86 I HN 0.408 nan 8.210 nan 0.000 0.523 87 S N 6.109 121.804 115.700 -0.008 0.000 2.665 87 S HA 0.403 4.873 4.470 -0.000 0.000 0.230 87 S C 0.343 174.918 174.600 -0.041 0.000 1.326 87 S CA -0.674 57.510 58.200 -0.027 0.000 1.055 87 S CB 0.579 63.763 63.200 -0.027 0.000 1.178 87 S HN 0.719 nan 8.310 nan 0.000 0.489 88 A N 3.075 125.862 122.820 -0.055 0.000 2.584 88 A HA 0.337 4.657 4.320 -0.000 0.000 0.239 88 A C 0.923 178.441 177.584 -0.110 0.000 1.043 88 A CA -0.120 51.864 52.037 -0.088 0.000 0.756 88 A CB -0.060 18.860 19.000 -0.133 0.000 0.963 88 A HN 0.736 nan 8.150 nan 0.000 0.511 89 S N 1.948 117.584 115.700 -0.107 0.000 2.707 89 S HA 0.427 4.897 4.470 -0.000 0.000 0.276 89 S C 1.125 175.621 174.600 -0.173 0.000 1.179 89 S CA -0.226 57.907 58.200 -0.113 0.000 0.992 89 S CB 1.087 64.241 63.200 -0.077 0.000 1.030 89 S HN 0.674 nan 8.310 nan 0.000 0.554 90 V N 1.852 121.662 119.914 -0.172 0.000 2.287 90 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 90 V C -0.753 175.207 176.094 -0.224 0.000 1.053 90 V CA 1.886 64.034 62.300 -0.253 0.000 1.027 90 V CB -1.959 29.785 31.823 -0.131 0.000 0.646 90 V HN 0.721 nan 8.190 nan 0.000 0.447 91 P HA -0.189 nan 4.420 nan 0.000 0.216 91 P C 1.813 179.032 177.300 -0.134 0.000 1.153 91 P CA 1.495 64.535 63.100 -0.100 0.000 0.858 91 P CB -0.057 31.613 31.700 -0.050 0.000 0.789 92 Q N -1.260 118.457 119.800 -0.138 0.000 2.119 92 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 92 Q C 2.093 177.868 176.000 -0.376 0.000 0.972 92 Q CA 0.941 56.638 55.803 -0.177 0.000 0.847 92 Q CB -0.787 27.899 28.738 -0.087 0.000 0.903 92 Q HN 0.170 nan 8.270 nan 0.000 0.433 93 L N 1.293 122.297 121.223 -0.365 0.000 2.046 93 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 93 L C 1.829 178.414 176.870 -0.474 0.000 1.077 93 L CA 1.871 56.434 54.840 -0.461 0.000 0.747 93 L CB -0.213 41.506 42.059 -0.566 0.000 0.896 93 L HN -0.024 nan 8.230 nan 0.000 0.432 94 K N -0.567 119.600 120.400 -0.388 0.000 2.057 94 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 94 K C 2.100 178.562 176.600 -0.230 0.000 1.050 94 K CA 1.245 57.363 56.287 -0.282 0.000 0.935 94 K CB -0.388 32.010 32.500 -0.169 0.000 0.715 94 K HN 0.472 nan 8.250 nan 0.000 0.439 95 A N 1.501 124.190 122.820 -0.220 0.000 1.933 95 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 95 A C 2.344 179.805 177.584 -0.204 0.000 1.175 95 A CA 1.881 53.838 52.037 -0.133 0.000 0.628 95 A CB -0.620 18.377 19.000 -0.006 0.000 0.814 95 A HN 0.339 nan 8.150 nan 0.000 0.444 96 A N -0.136 122.370 122.820 -0.523 0.000 1.898 96 A HA -0.007 4.312 4.320 -0.000 0.000 0.216 96 A C 2.112 179.538 177.584 -0.263 0.000 1.181 96 A CA 1.353 53.081 52.037 -0.515 0.000 0.620 96 A CB -0.548 18.030 19.000 -0.704 0.000 0.819 96 A HN 0.478 nan 8.150 nan 0.000 0.442 97 I N -0.392 120.003 120.570 -0.291 0.000 2.179 97 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 97 I C 2.563 178.597 176.117 -0.139 0.000 1.088 97 I CA 1.982 63.139 61.300 -0.239 0.000 1.357 97 I CB -0.247 37.558 38.000 -0.324 0.000 1.051 97 I HN 0.393 nan 8.210 nan 0.000 0.409 98 K N 1.118 121.451 120.400 -0.111 0.000 2.057 98 K HA -0.263 4.056 4.320 -0.000 0.000 0.207 98 K C 2.105 178.705 176.600 -0.000 0.000 1.049 98 K CA 1.760 58.020 56.287 -0.045 0.000 0.931 98 K CB -0.101 32.378 32.500 -0.035 0.000 0.714 98 K HN 0.276 nan 8.250 nan 0.000 0.440 99 E N 0.538 120.750 120.200 0.020 0.000 2.077 99 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 99 E C 2.040 178.678 176.600 0.064 0.000 0.989 99 E CA 1.176 57.625 56.400 0.081 0.000 0.800 99 E CB -0.039 29.765 29.700 0.173 0.000 0.746 99 E HN 0.351 nan 8.360 nan 0.000 0.452 100 L N 0.469 121.680 121.223 -0.019 0.000 2.093 100 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 100 L C 2.706 179.649 176.870 0.121 0.000 1.085 100 L CA 1.225 56.019 54.840 -0.078 0.000 0.755 100 L CB -0.383 41.495 42.059 -0.303 0.000 0.904 100 L HN 0.222 nan 8.230 nan 0.000 0.435 101 Q N -0.320 119.519 119.800 0.065 0.000 2.084 101 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 101 Q C 2.167 178.227 176.000 0.101 0.000 0.978 101 Q CA 1.377 57.232 55.803 0.086 0.000 0.844 101 Q CB -0.142 28.614 28.738 0.030 0.000 0.898 101 Q HN 0.591 nan 8.270 nan 0.000 0.426 102 Q N 0.314 120.167 119.800 0.089 0.000 2.291 102 Q HA -0.135 4.205 4.340 -0.000 0.000 0.205 102 Q C 1.387 177.458 176.000 0.117 0.000 0.970 102 Q CA 0.798 56.652 55.803 0.086 0.000 0.876 102 Q CB 0.130 28.911 28.738 0.072 0.000 0.935 102 Q HN 0.460 nan 8.270 nan 0.000 0.455 103 Q N -1.005 118.906 119.800 0.185 0.000 2.360 103 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 103 Q C 0.756 176.877 176.000 0.202 0.000 0.915 103 Q CA 0.457 56.405 55.803 0.241 0.000 0.943 103 Q CB 0.908 29.875 28.738 0.381 0.000 1.064 103 Q HN 0.518 nan 8.270 nan 0.000 0.511 104 G N 0.211 109.097 108.800 0.143 0.000 2.201 104 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.212 104 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.212 104 G C -0.416 174.456 174.900 -0.046 0.000 0.994 104 G CA -0.598 44.509 45.100 0.011 0.000 0.644 104 G HN 0.289 nan 8.290 nan 0.000 0.508 105 Y N 1.681 121.995 120.300 0.022 0.000 2.486 105 Y HA 0.457 5.007 4.550 -0.000 0.000 0.348 105 Y C 1.367 177.275 175.900 0.014 0.000 1.000 105 Y CA -0.173 57.936 58.100 0.015 0.000 1.253 105 Y CB 0.888 39.334 38.460 -0.024 0.000 1.140 105 Y HN 0.012 nan 8.280 nan 0.000 0.526 106 K N 4.831 125.318 120.400 0.145 0.000 3.233 106 K HA 0.160 4.480 4.320 -0.000 0.000 0.283 106 K C -0.446 176.220 176.600 0.110 0.000 1.209 106 K CA -0.032 56.334 56.287 0.132 0.000 1.197 106 K CB -0.326 32.264 32.500 0.150 0.000 1.431 106 K HN 0.600 nan 8.250 nan 0.000 0.326 107 L N 2.732 123.950 121.223 -0.008 0.000 2.439 107 L HA 0.174 4.514 4.340 -0.000 0.000 0.269 107 L C -1.654 175.029 176.870 -0.312 0.000 1.179 107 L CA -1.864 52.806 54.840 -0.283 0.000 0.828 107 L CB 0.080 41.985 42.059 -0.257 0.000 1.106 107 L HN 0.135 nan 8.230 nan 0.000 0.467 108 P HA 0.074 nan 4.420 nan 0.000 0.274 108 P C -1.077 176.184 177.300 -0.064 0.000 1.231 108 P CA -0.515 62.422 63.100 -0.270 0.000 0.790 108 P CB 0.774 32.256 31.700 -0.364 0.000 0.951 109 D N 0.372 120.767 120.400 -0.009 0.000 2.368 109 D HA -0.002 4.638 4.640 -0.000 0.000 0.240 109 D C -0.240 176.102 176.300 0.071 0.000 1.169 109 D CA 0.507 54.507 54.000 -0.002 0.000 0.906 109 D CB 0.237 41.035 40.800 -0.004 0.000 1.187 109 D HN 0.365 nan 8.370 nan 0.000 0.435 110 Y N 2.674 122.878 120.300 -0.160 0.000 2.452 110 Y HA 0.216 4.766 4.550 -0.000 0.000 0.348 110 Y C -2.061 173.818 175.900 -0.036 0.000 0.985 110 Y CA -2.187 55.823 58.100 -0.150 0.000 1.214 110 Y CB 0.760 39.006 38.460 -0.356 0.000 1.136 110 Y HN 0.040 nan 8.280 nan 0.000 0.523 111 P HA 0.161 nan 4.420 nan 0.000 0.283 111 P C -0.336 176.660 177.300 -0.508 0.000 1.412 111 P CA -0.056 62.850 63.100 -0.323 0.000 0.912 111 P CB 1.237 32.837 31.700 -0.167 0.000 1.132 112 E N 2.194 122.189 120.200 -0.342 0.000 2.106 112 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 112 E C 0.080 176.603 176.600 -0.128 0.000 0.984 112 E CA 1.091 57.362 56.400 -0.215 0.000 0.806 112 E CB 0.243 29.928 29.700 -0.025 0.000 0.750 112 E HN 0.616 nan 8.360 nan 0.000 0.458 113 E N 0.833 120.975 120.200 -0.097 0.000 3.303 113 E HA 0.197 4.547 4.350 -0.000 0.000 0.215 113 E C -2.576 173.993 176.600 -0.053 0.000 1.181 113 E CA -1.756 54.611 56.400 -0.055 0.000 0.998 113 E CB 1.378 31.063 29.700 -0.026 0.000 1.312 113 E HN 0.025 nan 8.360 nan 0.000 0.412 114 P HA -0.049 nan 4.420 nan 0.000 0.265 114 P C 0.188 177.477 177.300 -0.020 0.000 1.193 114 P CA 0.050 63.123 63.100 -0.043 0.000 0.765 114 P CB 0.712 32.386 31.700 -0.043 0.000 0.823 115 K N 0.080 120.474 120.400 -0.011 0.000 2.517 115 K HA 0.167 4.487 4.320 -0.000 0.000 0.210 115 K C 0.435 177.037 176.600 0.003 0.000 1.166 115 K CA 0.334 56.619 56.287 -0.003 0.000 1.030 115 K CB 0.554 33.053 32.500 -0.002 0.000 0.974 115 K HN 0.570 nan 8.250 nan 0.000 0.585 116 T N -2.458 112.099 114.554 0.005 0.000 2.906 116 T HA 0.359 4.709 4.350 -0.000 0.000 0.295 116 T C 0.449 175.158 174.700 0.015 0.000 1.075 116 T CA -0.602 61.505 62.100 0.011 0.000 1.005 116 T CB 2.063 70.940 68.868 0.016 0.000 1.136 116 T HN -0.293 nan 8.240 nan 0.000 0.498 117 D N 1.284 121.694 120.400 0.018 0.000 2.123 117 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 117 D C 2.064 178.382 176.300 0.030 0.000 0.992 117 D CA 1.720 55.733 54.000 0.021 0.000 0.833 117 D CB -0.577 40.235 40.800 0.019 0.000 0.954 117 D HN 0.715 nan 8.370 nan 0.000 0.455 118 T N 0.868 115.445 114.554 0.038 0.000 2.708 118 T HA -0.125 4.224 4.350 -0.000 0.000 0.266 118 T C 1.766 176.502 174.700 0.061 0.000 1.037 118 T CA 1.136 63.272 62.100 0.060 0.000 1.146 118 T CB -0.195 68.716 68.868 0.071 0.000 0.865 118 T HN 0.303 nan 8.240 nan 0.000 0.435 119 E N 0.920 121.144 120.200 0.039 0.000 2.110 119 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 119 E C 2.324 178.931 176.600 0.011 0.000 0.988 119 E CA 0.906 57.319 56.400 0.021 0.000 0.804 119 E CB -0.075 29.623 29.700 -0.004 0.000 0.745 119 E HN 0.463 nan 8.360 nan 0.000 0.458 120 K N 0.835 121.243 120.400 0.013 0.000 2.057 120 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 120 K C 2.071 178.688 176.600 0.028 0.000 1.050 120 K CA 1.335 57.629 56.287 0.012 0.000 0.935 120 K CB -0.053 32.455 32.500 0.013 0.000 0.715 120 K HN 0.132 nan 8.250 nan 0.000 0.439 121 D N 0.699 121.122 120.400 0.037 0.000 2.144 121 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 121 D C 1.845 178.176 176.300 0.053 0.000 0.978 121 D CA 0.930 54.953 54.000 0.039 0.000 0.833 121 D CB 0.277 41.101 40.800 0.040 0.000 0.961 121 D HN -0.063 nan 8.370 nan 0.000 0.470 122 V N 1.270 121.234 119.914 0.083 0.000 2.307 122 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 122 V C 2.721 178.910 176.094 0.157 0.000 1.045 122 V CA 1.755 64.126 62.300 0.119 0.000 1.024 122 V CB -0.578 31.317 31.823 0.119 0.000 0.651 122 V HN 0.211 nan 8.190 nan 0.000 0.449 123 K N 0.226 120.696 120.400 0.117 0.000 2.057 123 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 123 K C 2.169 178.887 176.600 0.197 0.000 1.049 123 K CA 1.574 57.932 56.287 0.118 0.000 0.931 123 K CB -0.315 32.136 32.500 -0.082 0.000 0.714 123 K HN 0.427 nan 8.250 nan 0.000 0.440 124 A N 1.721 124.607 122.820 0.111 0.000 1.902 124 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 124 A C 2.065 179.704 177.584 0.091 0.000 1.181 124 A CA 1.156 53.248 52.037 0.091 0.000 0.623 124 A CB -0.404 18.625 19.000 0.048 0.000 0.818 124 A HN 0.254 nan 8.150 nan 0.000 0.443 125 R N -1.347 119.185 120.500 0.053 0.000 2.070 125 R HA -0.142 4.198 4.340 -0.000 0.000 0.233 125 R C 2.046 178.408 176.300 0.102 0.000 1.137 125 R CA 1.818 57.890 56.100 -0.046 0.000 0.945 125 R CB -1.004 29.132 30.300 -0.272 0.000 0.845 125 R HN 0.751 nan 8.270 nan 0.000 0.430 126 Y N 1.395 121.873 120.300 0.298 0.000 2.181 126 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 126 Y C 2.132 178.129 175.900 0.161 0.000 1.146 126 Y CA 0.781 59.053 58.100 0.286 0.000 1.164 126 Y CB -0.061 38.639 38.460 0.400 0.000 0.982 126 Y HN 0.082 nan 8.280 nan 0.000 0.515 127 D N -0.004 120.608 120.400 0.354 0.000 2.263 127 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 127 D C 1.570 177.934 176.300 0.105 0.000 0.971 127 D CA 1.182 55.303 54.000 0.203 0.000 0.867 127 D CB -0.169 40.745 40.800 0.190 0.000 0.929 127 D HN 0.372 nan 8.370 nan 0.000 0.492 128 K N -0.087 120.373 120.400 0.100 0.000 2.418 128 K HA 0.041 4.361 4.320 -0.000 0.000 0.195 128 K C 1.462 178.089 176.600 0.045 0.000 1.035 128 K CA 0.217 56.534 56.287 0.051 0.000 1.003 128 K CB 0.583 33.100 32.500 0.029 0.000 0.793 128 K HN 0.119 nan 8.250 nan 0.000 0.494 129 I N 1.602 122.221 120.570 0.081 0.000 2.867 129 I HA -0.063 4.107 4.170 -0.000 0.000 0.265 129 I C 1.023 177.150 176.117 0.016 0.000 1.162 129 I CA 0.655 61.995 61.300 0.067 0.000 1.471 129 I CB -0.661 37.426 38.000 0.145 0.000 1.123 129 I HN 0.115 nan 8.210 nan 0.000 0.440 130 K N 1.509 121.905 120.400 -0.007 0.000 2.102 130 K HA 0.491 4.811 4.320 -0.000 0.000 0.244 130 K C 0.663 177.225 176.600 -0.063 0.000 1.021 130 K CA 0.255 56.500 56.287 -0.070 0.000 0.913 130 K CB 0.825 33.244 32.500 -0.135 0.000 1.062 130 K HN 0.175 nan 8.250 nan 0.000 0.485 131 G N 0.124 108.876 108.800 -0.080 0.000 2.681 131 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 131 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 131 G C -0.517 174.343 174.900 -0.067 0.000 1.353 131 G CA -0.119 44.930 45.100 -0.085 0.000 0.872 131 G HN 0.739 nan 8.290 nan 0.000 0.557 132 S N 0.639 116.291 115.700 -0.079 0.000 3.900 132 S HA 0.517 4.987 4.470 -0.000 0.000 0.248 132 S C 1.421 176.004 174.600 -0.028 0.000 1.310 132 S CA 0.773 58.946 58.200 -0.045 0.000 0.915 132 S CB -0.427 62.746 63.200 -0.045 0.000 1.588 132 S HN 1.939 nan 8.310 nan 0.000 0.472 133 A N 3.970 126.779 122.820 -0.019 0.000 2.095 133 A HA 0.218 4.538 4.320 -0.000 0.000 0.212 133 A C 1.761 179.347 177.584 0.003 0.000 1.162 133 A CA 0.345 52.378 52.037 -0.006 0.000 0.753 133 A CB -0.066 18.930 19.000 -0.006 0.000 0.840 133 A HN 0.628 nan 8.150 nan 0.000 0.468 134 V N 0.689 120.604 119.914 0.002 0.000 2.331 134 V HA -0.151 3.969 4.120 -0.000 0.000 0.242 134 V C 2.161 178.256 176.094 0.002 0.000 1.034 134 V CA 1.758 64.058 62.300 -0.000 0.000 1.027 134 V CB -0.843 30.976 31.823 -0.007 0.000 0.667 134 V HN 0.477 nan 8.190 nan 0.000 0.457 135 N N 0.483 119.190 118.700 0.011 0.000 2.094 135 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 135 N C -0.507 175.012 175.510 0.015 0.000 1.023 135 N CA 1.922 54.979 53.050 0.012 0.000 0.857 135 N CB -1.782 36.728 38.487 0.038 0.000 1.013 135 N HN 0.385 nan 8.380 nan 0.000 0.426 136 P HA -0.058 nan 4.420 nan 0.000 0.218 136 P C 1.521 178.828 177.300 0.012 0.000 1.148 136 P CA 0.717 63.842 63.100 0.042 0.000 0.822 136 P CB 0.165 31.904 31.700 0.065 0.000 0.784 137 V N -1.173 118.744 119.914 0.005 0.000 2.535 137 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 137 V C 2.220 178.305 176.094 -0.015 0.000 1.045 137 V CA 1.333 63.631 62.300 -0.003 0.000 1.058 137 V CB -0.891 30.931 31.823 -0.001 0.000 0.689 137 V HN 0.066 nan 8.190 nan 0.000 0.461 138 L N -0.599 120.610 121.223 -0.023 0.000 2.270 138 L HA 0.098 4.438 4.340 -0.000 0.000 0.210 138 L C 1.361 178.198 176.870 -0.055 0.000 1.104 138 L CA 0.533 55.351 54.840 -0.037 0.000 0.804 138 L CB -0.269 41.765 42.059 -0.041 0.000 0.937 138 L HN 0.155 nan 8.230 nan 0.000 0.450 139 R N 1.620 122.087 120.500 -0.056 0.000 4.154 139 R HA 0.022 4.361 4.340 -0.000 0.000 0.186 139 R C -0.050 176.207 176.300 -0.073 0.000 1.750 139 R CA -0.069 55.984 56.100 -0.078 0.000 1.431 139 R CB -0.115 30.129 30.300 -0.094 0.000 1.383 139 R HN 0.103 nan 8.270 nan 0.000 0.788 140 E N 1.317 121.478 120.200 -0.066 0.000 2.338 140 E HA 0.182 4.532 4.350 -0.000 0.000 0.231 140 E C 0.325 176.891 176.600 -0.058 0.000 1.231 140 E CA -0.102 56.266 56.400 -0.052 0.000 1.490 140 E CB 1.051 30.728 29.700 -0.038 0.000 1.360 140 E HN 0.670 nan 8.360 nan 0.000 0.435 141 G N 0.162 108.918 108.800 -0.072 0.000 2.495 141 G HA2 0.198 4.158 3.960 -0.000 0.000 0.294 141 G HA3 0.198 4.158 3.960 -0.000 0.000 0.294 141 G C -0.669 174.184 174.900 -0.077 0.000 1.397 141 G CA -0.785 44.275 45.100 -0.066 0.000 0.790 141 G HN -0.022 nan 8.290 nan 0.000 0.486 142 N N -0.511 118.160 118.700 -0.050 0.000 2.491 142 N HA 0.598 5.338 4.740 -0.000 0.000 0.279 142 N C -0.496 174.978 175.510 -0.060 0.000 1.236 142 N CA -0.286 52.739 53.050 -0.043 0.000 0.982 142 N CB 1.703 40.225 38.487 0.059 0.000 1.194 142 N HN 0.431 nan 8.380 nan 0.000 0.582 143 S N -0.184 115.483 115.700 -0.055 0.000 2.451 143 S HA 0.163 4.633 4.470 -0.000 0.000 0.301 143 S C -1.137 173.438 174.600 -0.041 0.000 1.116 143 S CA -0.616 57.542 58.200 -0.069 0.000 1.093 143 S CB 0.355 63.492 63.200 -0.105 0.000 1.017 143 S HN 0.446 nan 8.310 nan 0.000 0.482 144 D N 3.996 124.367 120.400 -0.048 0.000 2.434 144 D HA 0.278 4.918 4.640 -0.000 0.000 0.275 144 D C -0.402 175.878 176.300 -0.033 0.000 1.172 144 D CA -0.329 53.649 54.000 -0.036 0.000 0.916 144 D CB 0.236 41.022 40.800 -0.024 0.000 1.041 144 D HN 0.436 nan 8.370 nan 0.000 0.501 145 R N 2.575 123.050 120.500 -0.042 0.000 2.393 145 R HA 0.703 5.042 4.340 -0.000 0.000 0.310 145 R C -0.102 176.178 176.300 -0.033 0.000 0.968 145 R CA -0.667 55.413 56.100 -0.034 0.000 0.867 145 R CB 1.533 31.809 30.300 -0.040 0.000 1.124 145 R HN 0.457 nan 8.270 nan 0.000 0.450 146 R N 0.675 121.162 120.500 -0.021 0.000 2.739 146 R HA 0.399 4.738 4.340 -0.000 0.000 0.266 146 R C -1.745 174.548 176.300 -0.013 0.000 1.044 146 R CA -0.942 55.144 56.100 -0.023 0.000 0.885 146 R CB 0.735 31.015 30.300 -0.032 0.000 1.260 146 R HN 0.551 nan 8.270 nan 0.000 0.477 147 A N 2.369 125.182 122.820 -0.012 0.000 2.371 147 A HA 0.588 4.907 4.320 -0.000 0.000 0.257 147 A C -2.154 175.427 177.584 -0.004 0.000 1.089 147 A CA -1.399 50.635 52.037 -0.006 0.000 0.794 147 A CB -0.095 18.905 19.000 0.000 0.000 1.029 147 A HN 0.537 nan 8.150 nan 0.000 0.488 148 P HA 0.113 nan 4.420 nan 0.000 0.272 148 P C 0.977 178.281 177.300 0.006 0.000 1.223 148 P CA -0.551 62.549 63.100 -0.001 0.000 0.784 148 P CB 0.499 32.196 31.700 -0.005 0.000 0.923 149 L N 2.988 124.214 121.223 0.004 0.000 2.079 149 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 149 L C 2.063 178.949 176.870 0.027 0.000 1.081 149 L CA 2.483 57.329 54.840 0.010 0.000 0.752 149 L CB -1.503 40.558 42.059 0.004 0.000 0.896 149 L HN 0.442 nan 8.230 nan 0.000 0.433 150 S N -1.948 113.766 115.700 0.023 0.000 2.383 150 S HA -0.170 4.300 4.470 -0.000 0.000 0.229 150 S C 1.901 176.547 174.600 0.077 0.000 1.030 150 S CA 1.468 59.691 58.200 0.040 0.000 1.002 150 S CB -1.227 61.980 63.200 0.012 0.000 0.829 150 S HN 0.273 nan 8.310 nan 0.000 0.467 151 V N 2.116 122.062 119.914 0.053 0.000 2.453 151 V HA -0.046 4.074 4.120 -0.000 0.000 0.247 151 V C 2.729 178.895 176.094 0.121 0.000 1.048 151 V CA 1.966 64.310 62.300 0.074 0.000 1.049 151 V CB -0.749 31.088 31.823 0.022 0.000 0.672 151 V HN 0.475 nan 8.190 nan 0.000 0.457 152 K N 1.362 121.810 120.400 0.080 0.000 2.026 152 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 152 K C 1.863 178.518 176.600 0.091 0.000 1.048 152 K CA 1.766 58.097 56.287 0.074 0.000 0.929 152 K CB -0.492 32.029 32.500 0.036 0.000 0.713 152 K HN 0.423 nan 8.250 nan 0.000 0.439 153 N N -0.351 118.401 118.700 0.088 0.000 2.166 153 N HA -0.187 4.552 4.740 -0.000 0.000 0.186 153 N C 1.696 177.274 175.510 0.113 0.000 1.019 153 N CA 1.319 54.415 53.050 0.076 0.000 0.856 153 N CB -0.512 38.014 38.487 0.064 0.000 0.993 153 N HN 0.303 nan 8.380 nan 0.000 0.426 154 Y N 1.683 122.030 120.300 0.078 0.000 2.145 154 Y HA -0.139 4.411 4.550 -0.000 0.000 0.286 154 Y C 2.376 178.398 175.900 0.203 0.000 1.145 154 Y CA 1.775 59.977 58.100 0.170 0.000 1.148 154 Y CB -0.467 38.071 38.460 0.130 0.000 0.981 154 Y HN 0.080 nan 8.280 nan 0.000 0.507 155 A N 0.508 123.480 122.820 0.254 0.000 1.902 155 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 155 A C 2.371 180.005 177.584 0.083 0.000 1.181 155 A CA 1.822 53.980 52.037 0.202 0.000 0.623 155 A CB -0.865 18.271 19.000 0.227 0.000 0.818 155 A HN 0.544 nan 8.150 nan 0.000 0.443 156 R N -0.126 120.399 120.500 0.043 0.000 2.105 156 R HA -0.144 4.195 4.340 -0.000 0.000 0.239 156 R C 1.732 177.970 176.300 -0.103 0.000 1.135 156 R CA 1.911 58.003 56.100 -0.013 0.000 0.967 156 R CB -0.161 30.134 30.300 -0.008 0.000 0.861 156 R HN 0.526 nan 8.270 nan 0.000 0.442 157 K N -1.360 118.915 120.400 -0.208 0.000 2.356 157 K HA 0.032 4.352 4.320 -0.000 0.000 0.195 157 K C -0.003 176.194 176.600 -0.673 0.000 1.037 157 K CA 0.391 56.424 56.287 -0.423 0.000 1.014 157 K CB 0.471 32.664 32.500 -0.512 0.000 0.815 157 K HN 0.279 nan 8.250 nan 0.000 0.507 158 H N 0.791 119.708 119.070 -0.254 0.000 2.336 158 H HA 0.246 4.802 4.556 -0.000 0.000 0.230 158 H C -2.653 172.628 175.328 -0.077 0.000 1.426 158 H CA -2.377 53.527 56.048 -0.239 0.000 1.359 158 H CB 0.298 29.749 29.762 -0.518 0.000 1.555 158 H HN -0.062 nan 8.280 nan 0.000 0.512 159 P HA -0.080 nan 4.420 nan 0.000 0.261 159 P C 0.553 177.861 177.300 0.013 0.000 1.183 159 P CA 0.536 63.621 63.100 -0.025 0.000 0.761 159 P CB 0.332 31.983 31.700 -0.081 0.000 0.785 160 H N 1.845 120.955 119.070 0.066 0.000 2.508 160 H HA 0.367 4.923 4.556 -0.000 0.000 0.358 160 H C -0.056 175.312 175.328 0.067 0.000 1.212 160 H CA -0.719 55.372 56.048 0.071 0.000 1.356 160 H CB 0.617 30.427 29.762 0.081 0.000 1.525 160 H HN 0.274 nan 8.280 nan 0.000 0.578 161 K N 1.181 121.654 120.400 0.121 0.000 2.401 161 K HA 0.183 4.503 4.320 -0.000 0.000 0.278 161 K C -0.094 176.558 176.600 0.087 0.000 1.018 161 K CA -0.068 56.256 56.287 0.062 0.000 0.981 161 K CB 0.460 33.006 32.500 0.077 0.000 0.933 161 K HN 0.415 nan 8.250 nan 0.000 0.477 162 M N 2.235 121.862 119.600 0.045 0.000 2.106 162 M HA 0.186 4.666 4.480 -0.000 0.000 0.288 162 M C 0.075 176.422 176.300 0.080 0.000 0.941 162 M CA -0.752 54.606 55.300 0.098 0.000 0.934 162 M CB 1.436 34.091 32.600 0.092 0.000 1.551 162 M HN 0.758 nan 8.290 nan 0.000 0.437 163 G N 2.560 111.398 108.800 0.063 0.000 2.321 163 G HA2 0.333 4.293 3.960 -0.000 0.000 0.237 163 G HA3 0.333 4.293 3.960 -0.000 0.000 0.237 163 G C 0.265 175.161 174.900 -0.007 0.000 1.282 163 G CA -0.252 44.832 45.100 -0.025 0.000 0.886 163 G HN 0.907 nan 8.290 nan 0.000 0.528 164 A N 2.255 125.048 122.820 -0.044 0.000 2.462 164 A HA 0.472 4.792 4.320 -0.000 0.000 0.243 164 A C -0.547 176.996 177.584 -0.069 0.000 1.076 164 A CA -0.135 51.903 52.037 0.001 0.000 0.773 164 A CB 0.309 19.300 19.000 -0.016 0.000 1.010 164 A HN 0.676 nan 8.150 nan 0.000 0.493 165 W N 1.389 122.659 121.300 -0.049 0.000 2.520 165 W HA 0.530 5.190 4.660 -0.000 0.000 0.323 165 W C 0.564 177.055 176.519 -0.047 0.000 1.062 165 W CA 0.108 57.421 57.345 -0.054 0.000 1.215 165 W CB 1.969 31.384 29.460 -0.075 0.000 1.340 165 W HN 0.677 nan 8.180 nan 0.000 0.516 166 S N 2.082 117.875 115.700 0.156 0.000 2.509 166 S HA 0.577 5.047 4.470 -0.000 0.000 0.297 166 S C 0.836 175.523 174.600 0.145 0.000 1.118 166 S CA -0.117 58.143 58.200 0.099 0.000 1.074 166 S CB 1.431 64.640 63.200 0.014 0.000 1.038 166 S HN 0.605 nan 8.310 nan 0.000 0.498 167 A N 2.917 125.789 122.820 0.087 0.000 2.121 167 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 167 A C 1.432 179.050 177.584 0.057 0.000 1.154 167 A CA 1.566 53.641 52.037 0.063 0.000 0.679 167 A CB -0.509 18.503 19.000 0.021 0.000 0.795 167 A HN 0.918 nan 8.150 nan 0.000 0.458 168 D N -0.670 119.759 120.400 0.049 0.000 2.339 168 D HA 0.048 4.688 4.640 -0.000 0.000 0.217 168 D C 0.745 177.070 176.300 0.043 0.000 1.050 168 D CA 0.538 54.558 54.000 0.034 0.000 0.856 168 D CB -0.789 40.020 40.800 0.016 0.000 0.922 168 D HN 0.154 nan 8.370 nan 0.000 0.518 169 S N 0.175 115.918 115.700 0.072 0.000 2.573 169 S HA -0.049 4.421 4.470 -0.000 0.000 0.297 169 S C 0.946 175.602 174.600 0.092 0.000 1.280 169 S CA -0.087 58.156 58.200 0.072 0.000 1.061 169 S CB 0.587 63.877 63.200 0.150 0.000 0.812 169 S HN 0.221 nan 8.310 nan 0.000 0.500 170 K N 2.354 122.801 120.400 0.078 0.000 2.367 170 K HA 0.133 4.453 4.320 -0.000 0.000 0.194 170 K C 0.354 177.097 176.600 0.238 0.000 1.027 170 K CA -0.058 56.294 56.287 0.109 0.000 1.075 170 K CB 0.280 32.829 32.500 0.081 0.000 0.845 170 K HN 0.477 nan 8.250 nan 0.000 0.529 171 S N 1.933 117.757 115.700 0.207 0.000 2.562 171 S HA 0.048 4.518 4.470 -0.000 0.000 0.281 171 S C -0.180 174.630 174.600 0.351 0.000 1.333 171 S CA -0.153 58.185 58.200 0.229 0.000 1.052 171 S CB 0.237 63.518 63.200 0.136 0.000 0.884 171 S HN 0.376 nan 8.310 nan 0.000 0.506 172 H N -1.480 117.649 119.070 0.098 0.000 2.950 172 H HA 0.447 5.003 4.556 -0.000 0.000 0.307 172 H C -1.865 173.517 175.328 0.089 0.000 1.403 172 H CA -0.899 55.207 56.048 0.097 0.000 1.145 172 H CB -0.010 29.797 29.762 0.076 0.000 1.844 172 H HN 0.345 nan 8.280 nan 0.000 0.515 173 V N 0.739 120.725 119.914 0.120 0.000 2.481 173 V HA 0.633 4.753 4.120 -0.000 0.000 0.286 173 V C 0.480 176.667 176.094 0.156 0.000 1.042 173 V CA -0.193 62.160 62.300 0.089 0.000 0.928 173 V CB 0.982 32.919 31.823 0.189 0.000 0.986 173 V HN 0.949 nan 8.190 nan 0.000 0.462 174 A N 4.362 127.262 122.820 0.134 0.000 2.287 174 A HA 0.823 5.143 4.320 -0.000 0.000 0.317 174 A C -0.583 177.216 177.584 0.359 0.000 1.220 174 A CA -0.429 51.730 52.037 0.203 0.000 0.835 174 A CB 0.314 19.411 19.000 0.162 0.000 1.180 174 A HN 1.207 nan 8.150 nan 0.000 0.500 175 H N 0.024 119.286 119.070 0.321 0.000 2.894 175 H HA 0.762 5.317 4.556 -0.000 0.000 0.368 175 H C -0.503 174.698 175.328 -0.212 0.000 1.181 175 H CA -1.217 54.856 56.048 0.042 0.000 1.146 175 H CB 0.484 30.245 29.762 -0.001 0.000 1.839 175 H HN 0.500 nan 8.280 nan 0.000 0.557 176 M N 0.799 120.120 119.600 -0.466 0.000 2.198 176 M HA 0.102 4.582 4.480 -0.000 0.000 0.315 176 M C 0.059 176.393 176.300 0.057 0.000 1.134 176 M CA 0.136 55.163 55.300 -0.455 0.000 1.171 176 M CB 0.474 32.759 32.600 -0.526 0.000 1.413 176 M HN 0.707 nan 8.290 nan 0.000 0.467 177 D N 0.365 120.795 120.400 0.050 0.000 2.417 177 D HA 0.145 4.785 4.640 -0.000 0.000 0.207 177 D C -0.336 176.008 176.300 0.073 0.000 1.075 177 D CA 0.468 54.532 54.000 0.107 0.000 0.851 177 D CB 0.307 41.167 40.800 0.101 0.000 0.976 177 D HN 0.692 nan 8.370 nan 0.000 0.505 178 N N -2.210 116.511 118.700 0.035 0.000 3.348 178 N HA 0.163 4.903 4.740 -0.000 0.000 0.233 178 N C 0.463 175.970 175.510 -0.005 0.000 1.440 178 N CA -0.099 52.971 53.050 0.034 0.000 0.887 178 N CB 1.154 39.667 38.487 0.043 0.000 1.410 178 N HN -0.066 nan 8.380 nan 0.000 0.502 179 G N 0.047 108.844 108.800 -0.005 0.000 2.153 179 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 179 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 179 G C -0.507 174.331 174.900 -0.104 0.000 0.994 179 G CA 1.154 46.232 45.100 -0.036 0.000 0.698 179 G HN 1.197 nan 8.290 nan 0.000 0.521 180 D N -1.239 119.103 120.400 -0.097 0.000 2.494 180 D HA 0.606 5.246 4.640 -0.000 0.000 0.259 180 D C 1.241 177.462 176.300 -0.131 0.000 1.109 180 D CA -1.470 52.418 54.000 -0.186 0.000 1.040 180 D CB -0.029 40.710 40.800 -0.101 0.000 1.175 180 D HN -0.019 nan 8.370 nan 0.000 0.584 181 F N -1.181 118.782 119.950 0.020 0.000 2.095 181 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 181 F C 2.335 178.134 175.800 -0.001 0.000 1.104 181 F CA 1.081 59.075 58.000 -0.010 0.000 1.232 181 F CB -0.576 38.407 39.000 -0.027 0.000 0.987 181 F HN 0.388 nan 8.300 nan 0.000 0.475 182 Y N 1.077 121.435 120.300 0.096 0.000 2.114 182 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 182 Y C 2.402 178.302 175.900 -0.000 0.000 1.165 182 Y CA 1.695 59.796 58.100 0.002 0.000 1.148 182 Y CB -0.929 37.496 38.460 -0.059 0.000 0.972 182 Y HN -0.006 nan 8.280 nan 0.000 0.504 183 G N -1.987 106.877 108.800 0.106 0.000 2.744 183 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.211 183 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.211 183 G C 1.211 176.097 174.900 -0.023 0.000 1.143 183 G CA 0.762 45.873 45.100 0.019 0.000 0.788 183 G HN 0.497 nan 8.290 nan 0.000 0.534 184 S N -0.969 114.727 115.700 -0.007 0.000 2.629 184 S HA 0.258 4.728 4.470 -0.000 0.000 0.236 184 S C 0.285 174.890 174.600 0.007 0.000 1.010 184 S CA -0.405 57.802 58.200 0.011 0.000 0.981 184 S CB 0.350 63.574 63.200 0.040 0.000 0.919 184 S HN 0.368 nan 8.310 nan 0.000 0.514 185 E N 2.017 122.196 120.200 -0.034 0.000 2.415 185 E HA 0.170 4.520 4.350 -0.000 0.000 0.263 185 E C -0.852 175.732 176.600 -0.027 0.000 0.995 185 E CA 0.313 56.689 56.400 -0.040 0.000 0.915 185 E CB 0.386 30.038 29.700 -0.080 0.000 0.951 185 E HN 0.340 nan 8.360 nan 0.000 0.449 186 K N 2.254 122.654 120.400 -0.000 0.000 2.482 186 K HA 0.595 4.915 4.320 -0.000 0.000 0.251 186 K C -1.335 175.284 176.600 0.031 0.000 0.936 186 K CA -0.762 55.538 56.287 0.021 0.000 0.791 186 K CB 2.157 34.687 32.500 0.051 0.000 1.213 186 K HN 0.480 nan 8.250 nan 0.000 0.428 187 A N 1.498 124.337 122.820 0.032 0.000 2.384 187 A HA 0.950 5.270 4.320 -0.000 0.000 0.312 187 A C -1.401 176.206 177.584 0.039 0.000 1.113 187 A CA -0.699 51.364 52.037 0.044 0.000 0.779 187 A CB 1.712 20.741 19.000 0.048 0.000 1.307 187 A HN 0.704 nan 8.150 nan 0.000 0.436 188 A N 0.290 123.137 122.820 0.045 0.000 2.488 188 A HA 0.617 4.937 4.320 -0.000 0.000 0.298 188 A C -1.551 176.054 177.584 0.036 0.000 1.044 188 A CA -0.422 51.638 52.037 0.038 0.000 0.693 188 A CB 1.233 20.262 19.000 0.048 0.000 1.272 188 A HN 1.691 nan 8.150 nan 0.000 0.402 189 L N 3.962 125.200 121.223 0.026 0.000 2.255 189 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 189 L C -0.387 176.500 176.870 0.029 0.000 1.046 189 L CA -0.530 54.325 54.840 0.025 0.000 0.816 189 L CB 0.315 42.382 42.059 0.013 0.000 1.197 189 L HN 0.569 nan 8.230 nan 0.000 0.427 190 I N 4.897 125.488 120.570 0.035 0.000 2.710 190 I HA 0.075 4.245 4.170 -0.000 0.000 0.286 190 I C 1.436 177.572 176.117 0.031 0.000 1.181 190 I CA 0.639 61.960 61.300 0.035 0.000 1.430 190 I CB 0.580 38.603 38.000 0.039 0.000 1.367 190 I HN 0.806 nan 8.210 nan 0.000 0.577 191 G N 4.815 113.631 108.800 0.027 0.000 2.576 191 G HA2 0.411 4.371 3.960 -0.000 0.000 0.210 191 G HA3 0.411 4.371 3.960 -0.000 0.000 0.210 191 G C 0.396 175.310 174.900 0.024 0.000 1.143 191 G CA 0.736 45.850 45.100 0.024 0.000 0.819 191 G HN 0.747 nan 8.290 nan 0.000 0.534 192 A N -0.517 122.318 122.820 0.024 0.000 2.556 192 A HA 0.780 5.100 4.320 -0.000 0.000 0.294 192 A C -3.009 174.589 177.584 0.024 0.000 1.091 192 A CA -1.205 50.846 52.037 0.022 0.000 0.704 192 A CB 0.982 19.993 19.000 0.019 0.000 1.300 192 A HN 0.012 nan 8.150 nan 0.000 0.406 193 P HA 0.474 nan 4.420 nan 0.000 0.268 193 P C 0.636 177.949 177.300 0.022 0.000 1.208 193 P CA 1.172 64.285 63.100 0.022 0.000 0.777 193 P CB 0.891 32.602 31.700 0.019 0.000 0.875 194 G N 0.058 108.871 108.800 0.023 0.000 2.513 194 G HA2 0.450 4.410 3.960 -0.000 0.000 0.182 194 G HA3 0.450 4.410 3.960 -0.000 0.000 0.182 194 G C -1.453 173.463 174.900 0.027 0.000 1.190 194 G CA 0.094 45.208 45.100 0.023 0.000 0.987 194 G HN 0.802 nan 8.290 nan 0.000 0.479 195 S N -1.196 114.521 115.700 0.028 0.000 2.535 195 S HA 0.754 5.224 4.470 -0.000 0.000 0.272 195 S C -0.552 174.070 174.600 0.037 0.000 1.149 195 S CA 0.070 58.290 58.200 0.034 0.000 0.888 195 S CB 1.293 64.512 63.200 0.031 0.000 1.110 195 S HN 2.183 nan 8.310 nan 0.000 0.463 196 V N -0.256 119.688 119.914 0.049 0.000 2.834 196 V HA 0.772 4.892 4.120 -0.000 0.000 0.313 196 V C -0.224 175.901 176.094 0.050 0.000 1.060 196 V CA -0.875 61.457 62.300 0.053 0.000 0.989 196 V CB 1.445 33.312 31.823 0.074 0.000 1.041 196 V HN 1.166 nan 8.190 nan 0.000 0.459 197 K N 2.385 122.806 120.400 0.036 0.000 2.292 197 K HA 0.668 4.987 4.320 -0.000 0.000 0.257 197 K C -1.419 175.180 176.600 -0.003 0.000 0.940 197 K CA -0.807 55.487 56.287 0.013 0.000 0.811 197 K CB 1.700 34.196 32.500 -0.007 0.000 1.120 197 K HN 0.837 nan 8.250 nan 0.000 0.428 198 I N 4.968 125.519 120.570 -0.031 0.000 2.354 198 I HA 0.212 4.382 4.170 -0.000 0.000 0.286 198 I C -0.468 175.510 176.117 -0.231 0.000 1.007 198 I CA -0.470 60.757 61.300 -0.121 0.000 1.167 198 I CB 1.428 39.392 38.000 -0.060 0.000 1.320 198 I HN 0.691 nan 8.210 nan 0.000 0.458 199 E N 7.137 127.187 120.200 -0.251 0.000 2.340 199 E HA 0.477 4.827 4.350 -0.000 0.000 0.273 199 E C -1.701 174.735 176.600 -0.275 0.000 0.891 199 E CA -0.957 55.295 56.400 -0.246 0.000 0.757 199 E CB 2.900 32.507 29.700 -0.154 0.000 1.231 199 E HN 0.325 nan 8.360 nan 0.000 0.439 200 L N 3.697 124.767 121.223 -0.256 0.000 2.275 200 L HA 0.393 4.733 4.340 -0.000 0.000 0.288 200 L C -1.156 175.627 176.870 -0.144 0.000 1.046 200 L CA -0.752 53.955 54.840 -0.223 0.000 0.805 200 L CB 1.014 42.943 42.059 -0.216 0.000 1.193 200 L HN 0.699 nan 8.230 nan 0.000 0.426 201 I N 5.506 126.004 120.570 -0.119 0.000 2.337 201 I HA 0.306 4.476 4.170 -0.000 0.000 0.285 201 I C 0.862 176.941 176.117 -0.063 0.000 1.041 201 I CA -0.436 60.816 61.300 -0.080 0.000 1.199 201 I CB 0.839 38.799 38.000 -0.066 0.000 1.370 201 I HN 0.614 nan 8.210 nan 0.000 0.470 202 A N 7.282 130.070 122.820 -0.054 0.000 2.346 202 A HA 0.299 4.619 4.320 -0.000 0.000 0.252 202 A C 1.475 179.042 177.584 -0.028 0.000 1.089 202 A CA -0.252 51.761 52.037 -0.039 0.000 0.797 202 A CB 0.557 19.537 19.000 -0.035 0.000 1.047 202 A HN 0.642 nan 8.150 nan 0.000 0.494 203 K N 0.804 121.192 120.400 -0.020 0.000 2.020 203 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 203 K C 0.967 177.558 176.600 -0.014 0.000 1.050 203 K CA 2.131 58.410 56.287 -0.014 0.000 0.929 203 K CB -0.777 31.718 32.500 -0.009 0.000 0.714 203 K HN 0.944 nan 8.250 nan 0.000 0.443 204 D N -0.685 119.707 120.400 -0.014 0.000 2.355 204 D HA 0.064 4.704 4.640 -0.000 0.000 0.253 204 D C 0.963 177.254 176.300 -0.016 0.000 1.187 204 D CA 0.749 54.742 54.000 -0.013 0.000 0.900 204 D CB -0.185 40.608 40.800 -0.012 0.000 0.915 204 D HN 0.359 nan 8.370 nan 0.000 0.516 205 G N -0.549 108.240 108.800 -0.019 0.000 2.234 205 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.260 205 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.260 205 G C 0.560 175.444 174.900 -0.027 0.000 0.987 205 G CA 0.326 45.414 45.100 -0.021 0.000 0.625 205 G HN 0.711 nan 8.290 nan 0.000 0.532 206 S N -0.304 115.379 115.700 -0.028 0.000 2.560 206 S HA 0.451 4.921 4.470 -0.000 0.000 0.276 206 S C 0.465 175.039 174.600 -0.044 0.000 1.350 206 S CA 1.315 59.496 58.200 -0.033 0.000 1.024 206 S CB 1.057 64.239 63.200 -0.031 0.000 0.864 206 S HN 1.639 nan 8.310 nan 0.000 0.536 207 S N 1.601 117.271 115.700 -0.049 0.000 2.571 207 S HA 0.606 5.076 4.470 -0.000 0.000 0.284 207 S C -1.304 173.252 174.600 -0.073 0.000 1.128 207 S CA -0.591 57.570 58.200 -0.064 0.000 0.970 207 S CB 1.480 64.645 63.200 -0.057 0.000 1.039 207 S HN 0.768 nan 8.310 nan 0.000 0.485 208 T N 3.999 118.493 114.554 -0.099 0.000 2.930 208 T HA 0.322 4.672 4.350 -0.000 0.000 0.313 208 T C -0.560 174.046 174.700 -0.156 0.000 1.019 208 T CA -0.413 61.620 62.100 -0.111 0.000 1.004 208 T CB 1.072 69.874 68.868 -0.111 0.000 0.987 208 T HN 0.516 nan 8.240 nan 0.000 0.456 209 V N 5.723 125.555 119.914 -0.136 0.000 2.450 209 V HA 0.100 4.220 4.120 -0.000 0.000 0.281 209 V C 1.402 177.359 176.094 -0.228 0.000 1.019 209 V CA 0.240 62.445 62.300 -0.159 0.000 1.062 209 V CB 0.096 31.859 31.823 -0.100 0.000 0.979 209 V HN 0.854 nan 8.190 nan 0.000 0.477 210 L N 3.394 124.396 121.223 -0.368 0.000 2.168 210 L HA 0.225 4.565 4.340 -0.000 0.000 0.203 210 L C 1.202 177.804 176.870 -0.447 0.000 1.078 210 L CA 0.895 55.329 54.840 -0.677 0.000 0.780 210 L CB 0.014 41.342 42.059 -1.218 0.000 0.939 210 L HN 0.544 nan 8.230 nan 0.000 0.451 211 K N -0.460 119.817 120.400 -0.204 0.000 2.731 211 K HA 0.364 4.684 4.320 -0.000 0.000 0.257 211 K C 0.373 176.980 176.600 0.012 0.000 1.032 211 K CA -0.013 56.291 56.287 0.028 0.000 0.983 211 K CB 1.640 34.279 32.500 0.233 0.000 1.248 211 K HN -0.023 nan 8.250 nan 0.000 0.484 212 A N 3.960 126.785 122.820 0.007 0.000 1.869 212 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 212 A C 0.690 178.287 177.584 0.021 0.000 1.203 212 A CA 1.537 53.576 52.037 0.004 0.000 0.638 212 A CB -0.091 18.913 19.000 0.007 0.000 0.831 212 A HN 0.580 nan 8.150 nan 0.000 0.450 213 K N -1.619 118.805 120.400 0.039 0.000 2.422 213 K HA 0.519 4.839 4.320 -0.000 0.000 0.251 213 K C -1.779 174.857 176.600 0.061 0.000 0.933 213 K CA -0.293 56.020 56.287 0.043 0.000 0.798 213 K CB 1.868 34.387 32.500 0.033 0.000 1.238 213 K HN 0.099 nan 8.250 nan 0.000 0.428 214 T N 1.930 116.521 114.554 0.062 0.000 3.187 214 T HA 0.177 4.527 4.350 -0.000 0.000 0.328 214 T C -1.083 173.649 174.700 0.054 0.000 0.951 214 T CA -0.561 61.580 62.100 0.068 0.000 1.049 214 T CB 1.162 70.088 68.868 0.096 0.000 1.015 214 T HN 0.554 nan 8.240 nan 0.000 0.461 215 S N 2.608 118.334 115.700 0.043 0.000 2.558 215 S HA 0.318 4.788 4.470 -0.000 0.000 0.293 215 S C 0.621 175.243 174.600 0.036 0.000 1.292 215 S CA -0.575 57.646 58.200 0.035 0.000 1.063 215 S CB 0.182 63.399 63.200 0.029 0.000 0.831 215 S HN 0.708 nan 8.310 nan 0.000 0.499 216 V N 1.781 121.715 119.914 0.035 0.000 2.823 216 V HA 0.630 4.750 4.120 -0.000 0.000 0.312 216 V C -0.695 175.418 176.094 0.031 0.000 1.072 216 V CA -1.099 61.222 62.300 0.035 0.000 0.937 216 V CB 1.629 33.477 31.823 0.041 0.000 1.013 216 V HN 0.830 nan 8.190 nan 0.000 0.430 217 Q N 2.006 121.824 119.800 0.031 0.000 2.195 217 Q HA 0.808 5.147 4.340 -0.000 0.000 0.250 217 Q C -0.032 175.988 176.000 0.033 0.000 0.988 217 Q CA -0.692 55.129 55.803 0.029 0.000 0.911 217 Q CB 2.028 30.782 28.738 0.028 0.000 1.258 217 Q HN 1.163 nan 8.270 nan 0.000 0.475 218 A N 0.095 122.935 122.820 0.032 0.000 2.440 218 A HA 0.485 4.804 4.320 -0.000 0.000 0.251 218 A C 1.042 178.653 177.584 0.045 0.000 1.089 218 A CA 0.632 52.691 52.037 0.035 0.000 0.779 218 A CB -0.622 18.397 19.000 0.032 0.000 1.022 218 A HN 0.967 nan 8.150 nan 0.000 0.492 219 G N 0.923 109.751 108.800 0.048 0.000 2.184 219 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.264 219 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.264 219 G C 0.265 175.203 174.900 0.064 0.000 0.975 219 G CA 0.644 45.781 45.100 0.062 0.000 0.642 219 G HN 1.101 nan 8.290 nan 0.000 0.536 220 E N 0.306 120.538 120.200 0.053 0.000 2.373 220 E HA 0.467 4.817 4.350 -0.000 0.000 0.267 220 E C 0.413 177.045 176.600 0.052 0.000 1.032 220 E CA -0.580 55.851 56.400 0.053 0.000 0.889 220 E CB 0.248 29.974 29.700 0.044 0.000 0.984 220 E HN 0.381 nan 8.360 nan 0.000 0.425 221 I N 6.377 126.982 120.570 0.059 0.000 2.331 221 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 221 I C 0.121 176.288 176.117 0.083 0.000 0.998 221 I CA -0.642 60.697 61.300 0.064 0.000 1.267 221 I CB 0.803 38.835 38.000 0.052 0.000 1.386 221 I HN 0.454 nan 8.210 nan 0.000 0.476 222 I N 3.172 123.787 120.570 0.074 0.000 2.689 222 I HA 0.779 4.949 4.170 -0.000 0.000 0.299 222 I C -1.727 174.426 176.117 0.061 0.000 1.059 222 I CA -0.591 60.746 61.300 0.061 0.000 1.055 222 I CB 2.302 40.338 38.000 0.060 0.000 1.243 222 I HN 0.559 nan 8.210 nan 0.000 0.425 223 D N 2.506 122.915 120.400 0.016 0.000 2.837 223 D HA 0.551 5.191 4.640 -0.000 0.000 0.220 223 D C -0.999 175.229 176.300 -0.119 0.000 1.236 223 D CA -0.580 53.415 54.000 -0.009 0.000 0.838 223 D CB 1.953 42.769 40.800 0.026 0.000 1.647 223 D HN 0.743 nan 8.370 nan 0.000 0.486 224 S N 0.382 116.019 115.700 -0.105 0.000 2.621 224 S HA 0.915 5.385 4.470 -0.000 0.000 0.302 224 S C -0.402 174.067 174.600 -0.217 0.000 1.093 224 S CA -0.538 57.482 58.200 -0.300 0.000 1.017 224 S CB 1.413 64.599 63.200 -0.024 0.000 1.077 224 S HN 1.179 nan 8.310 nan 0.000 0.517 225 S N -0.248 115.251 115.700 -0.334 0.000 2.588 225 S HA 0.778 5.248 4.470 -0.000 0.000 0.269 225 S C -1.345 173.295 174.600 0.067 0.000 1.157 225 S CA -0.706 57.474 58.200 -0.033 0.000 0.824 225 S CB 1.154 64.403 63.200 0.083 0.000 1.126 225 S HN 1.801 nan 8.310 nan 0.000 0.464 226 V N 1.528 121.547 119.914 0.176 0.000 2.932 226 V HA 0.801 4.921 4.120 -0.000 0.000 0.307 226 V C -1.673 174.254 176.094 -0.279 0.000 1.147 226 V CA -0.732 61.632 62.300 0.105 0.000 0.951 226 V CB 2.117 34.056 31.823 0.195 0.000 1.031 226 V HN 1.158 nan 8.190 nan 0.000 0.426 227 M N 5.835 125.095 119.600 -0.567 0.000 2.061 227 M HA 0.545 5.025 4.480 -0.000 0.000 0.346 227 M C -0.130 176.024 176.300 -0.243 0.000 1.112 227 M CA 0.354 55.229 55.300 -0.709 0.000 1.021 227 M CB 1.131 33.107 32.600 -1.041 0.000 1.530 227 M HN 0.791 nan 8.290 nan 0.000 0.437 228 S N 4.085 119.692 115.700 -0.155 0.000 2.488 228 S HA 0.152 4.622 4.470 -0.000 0.000 0.278 228 S C 1.148 175.733 174.600 -0.024 0.000 1.259 228 S CA -0.152 58.017 58.200 -0.050 0.000 1.061 228 S CB 0.290 63.475 63.200 -0.025 0.000 0.910 228 S HN 0.948 nan 8.310 nan 0.000 0.491 229 K N 4.614 125.020 120.400 0.010 0.000 2.026 229 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 229 K C 1.524 178.149 176.600 0.041 0.000 1.048 229 K CA 1.596 57.902 56.287 0.032 0.000 0.929 229 K CB -0.201 32.325 32.500 0.044 0.000 0.713 229 K HN 0.658 nan 8.250 nan 0.000 0.439 230 N N 0.646 119.368 118.700 0.037 0.000 2.120 230 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 230 N C 1.773 177.314 175.510 0.052 0.000 1.024 230 N CA 1.411 54.486 53.050 0.042 0.000 0.852 230 N CB -0.295 38.213 38.487 0.035 0.000 1.003 230 N HN 0.303 nan 8.380 nan 0.000 0.424 231 A N 1.254 124.098 122.820 0.041 0.000 1.898 231 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 231 A C 2.230 179.871 177.584 0.095 0.000 1.181 231 A CA 0.878 52.946 52.037 0.052 0.000 0.620 231 A CB -0.627 18.381 19.000 0.013 0.000 0.819 231 A HN 0.218 nan 8.150 nan 0.000 0.442 232 L N -0.036 121.232 121.223 0.076 0.000 2.056 232 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 232 L C 2.395 179.392 176.870 0.213 0.000 1.078 232 L CA 2.384 57.312 54.840 0.147 0.000 0.749 232 L CB -0.727 41.384 42.059 0.087 0.000 0.901 232 L HN 0.479 nan 8.230 nan 0.000 0.433 233 R N -0.373 120.205 120.500 0.129 0.000 2.073 233 R HA -0.178 4.161 4.340 -0.000 0.000 0.234 233 R C 2.130 178.488 176.300 0.097 0.000 1.134 233 R CA 2.108 58.269 56.100 0.102 0.000 0.952 233 R CB -0.407 29.934 30.300 0.069 0.000 0.850 233 R HN 0.582 nan 8.270 nan 0.000 0.433 234 N N -0.516 118.246 118.700 0.103 0.000 2.104 234 N HA -0.217 4.522 4.740 -0.000 0.000 0.190 234 N C 1.680 177.261 175.510 0.119 0.000 1.024 234 N CA 1.427 54.531 53.050 0.090 0.000 0.853 234 N CB -0.238 38.301 38.487 0.087 0.000 1.008 234 N HN 0.209 nan 8.380 nan 0.000 0.424 235 F N 1.885 121.848 119.950 0.023 0.000 2.113 235 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 235 F C 1.964 177.782 175.800 0.030 0.000 1.103 235 F CA 1.106 59.122 58.000 0.027 0.000 1.248 235 F CB -0.166 38.855 39.000 0.035 0.000 0.999 235 F HN -0.073 nan 8.300 nan 0.000 0.475 236 I N 0.819 121.315 120.570 -0.125 0.000 2.163 236 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 236 I C 2.806 178.807 176.117 -0.194 0.000 1.085 236 I CA 1.258 62.415 61.300 -0.238 0.000 1.347 236 I CB -1.078 36.920 38.000 -0.003 0.000 1.044 236 I HN 0.304 nan 8.210 nan 0.000 0.408 237 A N 0.844 123.607 122.820 -0.095 0.000 1.883 237 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 237 A C 2.561 180.083 177.584 -0.104 0.000 1.186 237 A CA 2.062 54.051 52.037 -0.080 0.000 0.624 237 A CB -0.929 18.048 19.000 -0.039 0.000 0.822 237 A HN 0.444 nan 8.150 nan 0.000 0.444 238 A N -0.594 122.160 122.820 -0.109 0.000 1.902 238 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 238 A C 1.945 179.443 177.584 -0.142 0.000 1.181 238 A CA 1.779 53.758 52.037 -0.097 0.000 0.623 238 A CB -0.417 18.553 19.000 -0.051 0.000 0.818 238 A HN 0.445 nan 8.150 nan 0.000 0.443 239 E N -0.013 120.022 120.200 -0.275 0.000 2.106 239 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 239 E C 1.969 178.483 176.600 -0.142 0.000 0.984 239 E CA 0.790 57.033 56.400 -0.261 0.000 0.806 239 E CB -0.435 28.957 29.700 -0.514 0.000 0.750 239 E HN 0.730 nan 8.360 nan 0.000 0.458 240 I N 1.294 121.783 120.570 -0.135 0.000 2.179 240 I HA -0.245 3.924 4.170 -0.000 0.000 0.242 240 I C 2.243 178.317 176.117 -0.072 0.000 1.088 240 I CA 1.119 62.374 61.300 -0.075 0.000 1.357 240 I CB -0.148 37.796 38.000 -0.093 0.000 1.051 240 I HN -0.005 nan 8.210 nan 0.000 0.409 241 E N 0.358 120.509 120.200 -0.081 0.000 2.150 241 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 241 E C 1.623 178.198 176.600 -0.041 0.000 0.985 241 E CA 1.339 57.700 56.400 -0.064 0.000 0.814 241 E CB -0.349 29.315 29.700 -0.061 0.000 0.752 241 E HN 0.515 nan 8.360 nan 0.000 0.466 242 D N 0.092 120.470 120.400 -0.036 0.000 2.149 242 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 242 D C 1.837 178.144 176.300 0.012 0.000 0.972 242 D CA 1.237 55.230 54.000 -0.011 0.000 0.835 242 D CB 0.087 40.886 40.800 -0.002 0.000 0.966 242 D HN 0.108 nan 8.370 nan 0.000 0.476 243 A N 0.484 123.312 122.820 0.014 0.000 1.933 243 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 243 A C 2.118 179.712 177.584 0.017 0.000 1.175 243 A CA 1.524 53.582 52.037 0.034 0.000 0.628 243 A CB -0.586 18.431 19.000 0.028 0.000 0.814 243 A HN 0.220 nan 8.150 nan 0.000 0.444 244 K N -0.038 120.359 120.400 -0.004 0.000 2.057 244 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 244 K C 1.963 178.556 176.600 -0.012 0.000 1.050 244 K CA 1.481 57.760 56.287 -0.014 0.000 0.935 244 K CB -0.162 32.317 32.500 -0.035 0.000 0.715 244 K HN 0.447 nan 8.250 nan 0.000 0.439 245 K N 0.415 120.808 120.400 -0.012 0.000 2.026 245 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 245 K C 2.195 178.792 176.600 -0.004 0.000 1.048 245 K CA 1.694 57.975 56.287 -0.011 0.000 0.929 245 K CB -0.049 32.443 32.500 -0.013 0.000 0.713 245 K HN 0.288 nan 8.250 nan 0.000 0.439 246 Q N -0.462 119.343 119.800 0.007 0.000 2.435 246 Q HA 0.012 4.352 4.340 -0.000 0.000 0.207 246 Q C 0.639 176.649 176.000 0.016 0.000 0.956 246 Q CA 0.587 56.399 55.803 0.015 0.000 0.917 246 Q CB 0.459 29.218 28.738 0.036 0.000 0.997 246 Q HN 0.550 nan 8.270 nan 0.000 0.497 247 G N 1.498 110.304 108.800 0.009 0.000 2.225 247 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.264 247 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.264 247 G C 0.093 174.994 174.900 0.000 0.000 1.060 247 G CA 0.349 45.447 45.100 -0.003 0.000 0.833 247 G HN 0.308 nan 8.290 nan 0.000 0.498 248 V N -2.566 117.360 119.914 0.021 0.000 2.881 248 V HA 0.847 4.967 4.120 -0.000 0.000 0.316 248 V C 0.927 177.030 176.094 0.015 0.000 1.070 248 V CA -1.789 60.529 62.300 0.030 0.000 0.976 248 V CB 1.923 33.793 31.823 0.077 0.000 1.038 248 V HN 0.319 nan 8.190 nan 0.000 0.446 249 L N 2.496 123.727 121.223 0.013 0.000 2.426 249 L HA 0.314 4.654 4.340 -0.000 0.000 0.271 249 L C -0.132 176.753 176.870 0.024 0.000 1.169 249 L CA -0.260 54.589 54.840 0.015 0.000 0.836 249 L CB 1.009 43.087 42.059 0.032 0.000 1.112 249 L HN 0.601 nan 8.230 nan 0.000 0.465 250 L N 3.777 125.021 121.223 0.035 0.000 2.264 250 L HA 0.386 4.725 4.340 -0.000 0.000 0.289 250 L C 0.101 176.979 176.870 0.013 0.000 1.044 250 L CA 0.401 55.260 54.840 0.032 0.000 0.807 250 L CB 1.099 43.203 42.059 0.075 0.000 1.192 250 L HN 0.710 nan 8.230 nan 0.000 0.425 251 S N 3.776 119.492 115.700 0.026 0.000 2.599 251 S HA 0.910 5.380 4.470 -0.000 0.000 0.294 251 S C -0.913 173.690 174.600 0.004 0.000 1.094 251 S CA -0.813 57.387 58.200 0.001 0.000 0.931 251 S CB 1.967 65.216 63.200 0.082 0.000 1.093 251 S HN 0.387 nan 8.310 nan 0.000 0.488 252 V N 2.543 122.373 119.914 -0.139 0.000 2.577 252 V HA 0.478 4.598 4.120 -0.000 0.000 0.303 252 V C -1.076 174.877 176.094 -0.235 0.000 1.042 252 V CA -0.564 61.723 62.300 -0.021 0.000 0.872 252 V CB 1.605 33.472 31.823 0.073 0.000 0.998 252 V HN 0.996 nan 8.190 nan 0.000 0.423 253 H N 6.011 125.141 119.070 0.100 0.000 2.792 253 H HA 0.610 5.165 4.556 -0.000 0.000 0.298 253 H C -0.815 174.569 175.328 0.094 0.000 1.042 253 H CA -0.222 55.857 56.048 0.051 0.000 1.300 253 H CB 1.714 31.442 29.762 -0.057 0.000 1.431 253 H HN 0.424 nan 8.280 nan 0.000 0.496 254 L N 1.408 122.729 121.223 0.164 0.000 2.211 254 L HA 0.451 4.791 4.340 -0.000 0.000 0.259 254 L C 0.260 177.194 176.870 0.108 0.000 1.031 254 L CA -1.049 53.892 54.840 0.167 0.000 0.877 254 L CB 1.459 43.629 42.059 0.185 0.000 1.457 254 L HN 0.206 nan 8.230 nan 0.000 0.466 255 K N -0.082 120.379 120.400 0.101 0.000 3.022 255 K HA 0.428 4.748 4.320 -0.000 0.000 0.178 255 K C 0.362 176.961 176.600 -0.002 0.000 1.089 255 K CA 0.142 56.463 56.287 0.057 0.000 0.916 255 K CB 0.674 33.228 32.500 0.090 0.000 1.159 255 K HN 0.601 nan 8.250 nan 0.000 0.592 256 A N 0.062 122.859 122.820 -0.037 0.000 1.892 256 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 256 A C 1.853 179.380 177.584 -0.096 0.000 1.188 256 A CA 2.336 54.324 52.037 -0.081 0.000 0.631 256 A CB -0.720 18.172 19.000 -0.180 0.000 0.822 256 A HN 0.553 nan 8.150 nan 0.000 0.447 257 T N -0.619 113.876 114.554 -0.097 0.000 2.708 257 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 257 T C 1.984 176.600 174.700 -0.140 0.000 1.037 257 T CA 1.597 63.634 62.100 -0.105 0.000 1.146 257 T CB -0.221 68.599 68.868 -0.080 0.000 0.865 257 T HN 0.393 nan 8.240 nan 0.000 0.435 258 M N 0.519 120.037 119.600 -0.136 0.000 2.160 258 M HA 0.139 4.619 4.480 -0.000 0.000 0.264 258 M C 0.522 176.645 176.300 -0.294 0.000 1.073 258 M CA 1.325 56.501 55.300 -0.207 0.000 1.142 258 M CB -0.365 32.128 32.600 -0.179 0.000 1.358 258 M HN 0.111 nan 8.290 nan 0.000 0.422 259 M N 2.639 122.158 119.600 -0.136 0.000 3.690 259 M HA 0.065 4.544 4.480 -0.000 0.000 0.209 259 M C 1.176 177.435 176.300 -0.068 0.000 1.403 259 M CA 0.202 55.493 55.300 -0.015 0.000 1.621 259 M CB -1.158 31.451 32.600 0.014 0.000 1.056 259 M HN 0.253 nan 8.290 nan 0.000 0.593 260 K N -0.973 119.297 120.400 -0.217 0.000 2.362 260 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 260 K C 1.020 177.589 176.600 -0.052 0.000 1.045 260 K CA 1.216 57.414 56.287 -0.148 0.000 0.936 260 K CB -0.181 32.190 32.500 -0.215 0.000 0.747 260 K HN 0.306 nan 8.250 nan 0.000 0.467 261 V N 1.021 120.935 119.914 -0.000 0.000 2.627 261 V HA -0.145 3.975 4.120 -0.000 0.000 0.239 261 V C 2.567 178.702 176.094 0.068 0.000 1.077 261 V CA 1.276 63.594 62.300 0.029 0.000 1.103 261 V CB 0.472 32.303 31.823 0.013 0.000 0.802 261 V HN 0.556 nan 8.190 nan 0.000 0.482 262 S N 0.796 116.546 115.700 0.084 0.000 2.345 262 S HA -0.211 4.259 4.470 -0.000 0.000 0.219 262 S C 1.589 176.290 174.600 0.169 0.000 1.031 262 S CA 1.780 60.068 58.200 0.147 0.000 0.984 262 S CB -0.632 62.641 63.200 0.122 0.000 0.874 262 S HN 0.516 nan 8.310 nan 0.000 0.451 263 D N 3.114 123.593 120.400 0.132 0.000 2.117 263 D HA 0.073 4.712 4.640 -0.000 0.000 0.198 263 D C -0.658 175.737 176.300 0.158 0.000 0.982 263 D CA 0.980 55.070 54.000 0.151 0.000 0.828 263 D CB -1.574 39.290 40.800 0.108 0.000 0.967 263 D HN 0.381 nan 8.370 nan 0.000 0.464 264 P HA -0.052 nan 4.420 nan 0.000 0.218 264 P C 1.423 178.825 177.300 0.169 0.000 1.149 264 P CA 0.805 63.969 63.100 0.107 0.000 0.817 264 P CB 0.103 31.825 31.700 0.037 0.000 0.785 265 I N -1.910 118.745 120.570 0.142 0.000 2.252 265 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 265 I C 2.336 178.549 176.117 0.160 0.000 1.102 265 I CA 1.542 62.924 61.300 0.136 0.000 1.385 265 I CB -0.494 37.584 38.000 0.129 0.000 1.064 265 I HN -0.063 nan 8.210 nan 0.000 0.414 266 M N -0.481 119.234 119.600 0.192 0.000 2.132 266 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 266 M C 2.383 178.812 176.300 0.215 0.000 1.065 266 M CA 1.893 57.311 55.300 0.196 0.000 1.122 266 M CB -0.424 32.309 32.600 0.221 0.000 1.365 266 M HN 0.164 nan 8.290 nan 0.000 0.411 267 F N 1.013 121.022 119.950 0.098 0.000 2.126 267 F HA -0.106 4.420 4.527 -0.000 0.000 0.299 267 F C 2.255 178.106 175.800 0.086 0.000 1.096 267 F CA 1.850 59.902 58.000 0.087 0.000 1.255 267 F CB -0.767 38.273 39.000 0.065 0.000 0.997 267 F HN 0.092 nan 8.300 nan 0.000 0.479 268 G N -0.685 108.246 108.800 0.218 0.000 2.442 268 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.219 268 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.219 268 G C 1.497 176.428 174.900 0.053 0.000 1.141 268 G CA 0.735 45.898 45.100 0.105 0.000 0.763 268 G HN 0.431 nan 8.290 nan 0.000 0.554 269 Q N -0.283 119.560 119.800 0.071 0.000 2.119 269 Q HA 0.023 4.363 4.340 -0.000 0.000 0.201 269 Q C 2.643 178.677 176.000 0.056 0.000 0.972 269 Q CA 0.760 56.606 55.803 0.071 0.000 0.847 269 Q CB -0.127 28.665 28.738 0.090 0.000 0.903 269 Q HN 0.545 nan 8.270 nan 0.000 0.433 270 I N 0.054 120.630 120.570 0.010 0.000 2.252 270 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 270 I C 2.267 178.389 176.117 0.009 0.000 1.102 270 I CA 0.771 62.060 61.300 -0.019 0.000 1.385 270 I CB -0.269 37.656 38.000 -0.125 0.000 1.064 270 I HN 0.006 nan 8.210 nan 0.000 0.414 271 V N 0.250 120.134 119.914 -0.051 0.000 2.295 271 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 271 V C 2.562 178.830 176.094 0.290 0.000 1.049 271 V CA 2.157 64.541 62.300 0.140 0.000 1.024 271 V CB -0.625 31.235 31.823 0.062 0.000 0.648 271 V HN 0.370 nan 8.190 nan 0.000 0.447 272 S N -0.462 115.340 115.700 0.171 0.000 2.359 272 S HA -0.276 4.193 4.470 -0.000 0.000 0.224 272 S C 2.046 176.738 174.600 0.154 0.000 1.035 272 S CA 2.007 60.307 58.200 0.166 0.000 1.018 272 S CB -0.291 62.971 63.200 0.104 0.000 0.876 272 S HN 0.696 nan 8.310 nan 0.000 0.448 273 E N 0.691 120.962 120.200 0.119 0.000 2.072 273 E HA -0.044 4.305 4.350 -0.000 0.000 0.190 273 E C 1.688 178.318 176.600 0.050 0.000 0.982 273 E CA 0.899 57.340 56.400 0.069 0.000 0.803 273 E CB -0.437 29.291 29.700 0.045 0.000 0.755 273 E HN 0.460 nan 8.360 nan 0.000 0.453 274 F N -0.267 119.643 119.950 -0.068 0.000 2.069 274 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 274 F C 1.182 176.804 175.800 -0.297 0.000 1.113 274 F CA 1.628 59.495 58.000 -0.222 0.000 1.214 274 F CB -0.150 38.643 39.000 -0.345 0.000 0.978 274 F HN 0.095 nan 8.300 nan 0.000 0.474 275 Y N 1.238 121.660 120.300 0.204 0.000 2.532 275 Y HA 0.111 4.661 4.550 -0.000 0.000 0.283 275 Y C 1.916 177.818 175.900 0.004 0.000 1.181 275 Y CA -0.129 58.014 58.100 0.071 0.000 1.256 275 Y CB -0.901 37.610 38.460 0.085 0.000 1.112 275 Y HN 0.111 nan 8.280 nan 0.000 0.521 276 K N -0.317 120.140 120.400 0.094 0.000 2.077 276 K HA -0.278 4.042 4.320 -0.000 0.000 0.213 276 K C 0.790 177.406 176.600 0.026 0.000 1.051 276 K CA 2.309 58.629 56.287 0.055 0.000 0.929 276 K CB -0.329 32.176 32.500 0.010 0.000 0.715 276 K HN 0.181 nan 8.250 nan 0.000 0.451 277 D N 1.374 121.768 120.400 -0.011 0.000 2.092 277 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 277 D C 2.130 178.426 176.300 -0.007 0.000 0.994 277 D CA 1.931 55.916 54.000 -0.025 0.000 0.828 277 D CB -0.372 40.398 40.800 -0.050 0.000 0.963 277 D HN 0.474 nan 8.370 nan 0.000 0.450 278 A N 0.702 123.541 122.820 0.032 0.000 1.897 278 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 278 A C 2.443 180.078 177.584 0.084 0.000 1.181 278 A CA 0.747 52.829 52.037 0.074 0.000 0.620 278 A CB -0.738 18.304 19.000 0.071 0.000 0.821 278 A HN 0.184 nan 8.150 nan 0.000 0.443 279 L N -0.690 120.576 121.223 0.072 0.000 2.131 279 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 279 L C 2.698 179.605 176.870 0.063 0.000 1.092 279 L CA 1.665 56.550 54.840 0.076 0.000 0.759 279 L CB -0.968 41.175 42.059 0.141 0.000 0.903 279 L HN 0.338 nan 8.230 nan 0.000 0.435 280 T N -0.532 114.040 114.554 0.030 0.000 2.732 280 T HA -0.193 4.157 4.350 -0.000 0.000 0.261 280 T C 1.942 176.611 174.700 -0.051 0.000 1.040 280 T CA 1.252 63.353 62.100 0.001 0.000 1.145 280 T CB -0.057 68.805 68.868 -0.009 0.000 0.866 280 T HN 0.227 nan 8.240 nan 0.000 0.427 281 K N 0.422 120.750 120.400 -0.120 0.000 2.074 281 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 281 K C 1.231 177.602 176.600 -0.382 0.000 1.048 281 K CA 1.410 57.529 56.287 -0.279 0.000 0.926 281 K CB -0.074 32.180 32.500 -0.411 0.000 0.713 281 K HN 0.446 nan 8.250 nan 0.000 0.444 282 H N -0.745 118.304 119.070 -0.035 0.000 2.524 282 H HA 0.230 4.786 4.556 -0.000 0.000 0.299 282 H C 1.256 176.569 175.328 -0.026 0.000 1.074 282 H CA 0.391 56.412 56.048 -0.044 0.000 1.115 282 H CB 0.628 30.340 29.762 -0.084 0.000 1.522 282 H HN 0.302 nan 8.280 nan 0.000 0.543 283 A N 1.274 124.127 122.820 0.055 0.000 1.873 283 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 283 A C 2.237 179.859 177.584 0.063 0.000 1.193 283 A CA 1.774 53.850 52.037 0.064 0.000 0.629 283 A CB -0.207 18.818 19.000 0.041 0.000 0.826 283 A HN 0.433 nan 8.150 nan 0.000 0.447 284 E N -0.949 119.278 120.200 0.044 0.000 2.038 284 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 284 E C 1.977 178.604 176.600 0.045 0.000 1.000 284 E CA 1.347 57.770 56.400 0.039 0.000 0.803 284 E CB -0.401 29.315 29.700 0.026 0.000 0.750 284 E HN 0.386 nan 8.360 nan 0.000 0.448 285 V N 1.082 121.027 119.914 0.051 0.000 2.515 285 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 285 V C 1.928 178.039 176.094 0.028 0.000 1.058 285 V CA 1.313 63.634 62.300 0.034 0.000 1.064 285 V CB -0.176 31.664 31.823 0.029 0.000 0.675 285 V HN 0.242 nan 8.190 nan 0.000 0.461 286 L N -0.143 121.107 121.223 0.044 0.000 2.156 286 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 286 L C 2.526 179.476 176.870 0.133 0.000 1.095 286 L CA 1.665 56.547 54.840 0.070 0.000 0.770 286 L CB -0.554 41.562 42.059 0.094 0.000 0.914 286 L HN 0.290 nan 8.230 nan 0.000 0.439 287 K N 0.438 120.897 120.400 0.099 0.000 2.097 287 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 287 K C 2.084 178.721 176.600 0.061 0.000 1.050 287 K CA 1.417 57.752 56.287 0.081 0.000 0.938 287 K CB -0.031 32.504 32.500 0.058 0.000 0.718 287 K HN 0.250 nan 8.250 nan 0.000 0.442 288 Q N 0.026 119.855 119.800 0.048 0.000 2.119 288 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 288 Q C 1.860 177.882 176.000 0.036 0.000 0.972 288 Q CA 1.652 57.476 55.803 0.035 0.000 0.847 288 Q CB -0.206 28.547 28.738 0.025 0.000 0.903 288 Q HN 0.596 nan 8.270 nan 0.000 0.433 289 I N -3.455 117.141 120.570 0.043 0.000 3.564 289 I HA 0.265 4.435 4.170 -0.000 0.000 0.294 289 I C 0.826 176.984 176.117 0.068 0.000 1.289 289 I CA 0.622 61.947 61.300 0.043 0.000 1.325 289 I CB -0.450 37.564 38.000 0.024 0.000 1.039 289 I HN 0.191 nan 8.210 nan 0.000 0.474 290 G N 2.214 111.061 108.800 0.078 0.000 2.198 290 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.257 290 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.257 290 G C 0.079 175.044 174.900 0.109 0.000 1.042 290 G CA 0.162 45.305 45.100 0.073 0.000 0.791 290 G HN 0.664 nan 8.290 nan 0.000 0.502 291 F N 1.184 121.126 119.950 -0.013 0.000 2.571 291 F HA 0.394 4.921 4.527 -0.000 0.000 0.384 291 F C 0.439 176.237 175.800 -0.004 0.000 1.058 291 F CA -0.128 57.859 58.000 -0.021 0.000 1.200 291 F CB 0.650 39.624 39.000 -0.043 0.000 1.077 291 F HN 0.123 nan 8.300 nan 0.000 0.558 292 D N 6.505 126.603 120.400 -0.503 0.000 2.454 292 D HA 0.066 4.705 4.640 -0.000 0.000 0.225 292 D C 0.703 176.515 176.300 -0.813 0.000 1.081 292 D CA -0.296 53.390 54.000 -0.522 0.000 0.864 292 D CB 1.458 42.145 40.800 -0.188 0.000 1.040 292 D HN 0.455 nan 8.370 nan 0.000 0.517 293 V N 4.480 123.788 119.914 -1.009 0.000 2.546 293 V HA -0.239 3.881 4.120 -0.000 0.000 0.254 293 V C 1.280 177.280 176.094 -0.156 0.000 1.076 293 V CA 1.727 63.642 62.300 -0.641 0.000 1.087 293 V CB -0.437 31.201 31.823 -0.309 0.000 0.674 293 V HN 0.509 nan 8.190 nan 0.000 0.470 294 N N 0.894 119.533 118.700 -0.103 0.000 2.520 294 N HA -0.085 4.655 4.740 -0.000 0.000 0.185 294 N C 1.299 176.870 175.510 0.101 0.000 1.068 294 N CA 1.077 54.161 53.050 0.057 0.000 0.911 294 N CB -0.558 37.946 38.487 0.029 0.000 0.961 294 N HN 0.593 nan 8.380 nan 0.000 0.446 295 N N 0.343 119.065 118.700 0.036 0.000 2.279 295 N HA 0.198 4.937 4.740 -0.000 0.000 0.226 295 N C -0.030 175.571 175.510 0.153 0.000 1.126 295 N CA 0.221 53.306 53.050 0.058 0.000 0.846 295 N CB 0.100 38.601 38.487 0.023 0.000 1.050 295 N HN 0.192 nan 8.380 nan 0.000 0.502 296 G N 0.428 109.409 108.800 0.302 0.000 2.814 296 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.677 296 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.677 296 G C 0.467 175.516 174.900 0.247 0.000 1.429 296 G CA -0.213 45.131 45.100 0.407 0.000 0.868 296 G HN 0.230 nan 8.290 nan 0.000 0.553 297 I N 1.797 122.415 120.570 0.080 0.000 2.756 297 I HA 0.133 4.303 4.170 -0.000 0.000 0.262 297 I C 2.532 178.607 176.117 -0.070 0.000 1.225 297 I CA 2.475 63.677 61.300 -0.164 0.000 1.472 297 I CB -0.493 37.162 38.000 -0.574 0.000 1.094 297 I HN 0.887 nan 8.210 nan 0.000 0.454 298 G N -0.476 108.345 108.800 0.035 0.000 2.443 298 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.219 298 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.219 298 G C 1.406 176.419 174.900 0.189 0.000 1.131 298 G CA 0.890 46.099 45.100 0.181 0.000 0.775 298 G HN 0.469 nan 8.290 nan 0.000 0.547 299 D N -0.285 120.233 120.400 0.198 0.000 2.178 299 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 299 D C 2.308 178.734 176.300 0.211 0.000 0.980 299 D CA 0.589 54.724 54.000 0.225 0.000 0.842 299 D CB -0.077 40.879 40.800 0.260 0.000 0.948 299 D HN 0.304 nan 8.370 nan 0.000 0.472 300 L N -0.831 120.419 121.223 0.046 0.000 2.044 300 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 300 L C 1.717 178.396 176.870 -0.319 0.000 1.075 300 L CA 1.084 55.665 54.840 -0.433 0.000 0.747 300 L CB -0.356 41.063 42.059 -1.067 0.000 0.903 300 L HN 0.132 nan 8.230 nan 0.000 0.435 301 Y N -0.076 120.139 120.300 -0.141 0.000 2.333 301 Y HA -0.206 4.344 4.550 -0.000 0.000 0.290 301 Y C 2.563 178.441 175.900 -0.037 0.000 1.144 301 Y CA 1.130 59.181 58.100 -0.081 0.000 1.228 301 Y CB -0.463 37.981 38.460 -0.026 0.000 0.985 301 Y HN 0.350 nan 8.280 nan 0.000 0.542 302 A N 0.214 123.110 122.820 0.127 0.000 1.898 302 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 302 A C 2.148 179.760 177.584 0.047 0.000 1.183 302 A CA 1.192 53.281 52.037 0.088 0.000 0.622 302 A CB -0.330 18.724 19.000 0.090 0.000 0.824 302 A HN 0.367 nan 8.150 nan 0.000 0.444 303 R N -0.058 120.460 120.500 0.030 0.000 2.161 303 R HA 0.078 4.418 4.340 -0.000 0.000 0.213 303 R C 1.885 178.171 176.300 -0.024 0.000 1.055 303 R CA 1.170 57.279 56.100 0.016 0.000 0.996 303 R CB -0.487 29.843 30.300 0.049 0.000 0.901 303 R HN 0.792 nan 8.270 nan 0.000 0.456 304 I N -1.286 119.241 120.570 -0.072 0.000 3.176 304 I HA -0.054 4.116 4.170 -0.000 0.000 0.275 304 I C 1.092 177.179 176.117 -0.049 0.000 1.298 304 I CA 1.041 62.284 61.300 -0.095 0.000 1.445 304 I CB -0.096 37.798 38.000 -0.177 0.000 1.075 304 I HN -0.096 nan 8.210 nan 0.000 0.482 305 K N 0.738 121.128 120.400 -0.016 0.000 2.362 305 K HA -0.074 4.246 4.320 -0.000 0.000 0.200 305 K C 1.877 178.473 176.600 -0.005 0.000 1.046 305 K CA 1.419 57.706 56.287 -0.002 0.000 0.952 305 K CB -0.142 32.367 32.500 0.015 0.000 0.753 305 K HN 0.323 nan 8.250 nan 0.000 0.466 306 T N 0.528 115.078 114.554 -0.008 0.000 3.129 306 T HA 0.166 4.516 4.350 -0.000 0.000 0.251 306 T C 0.282 174.975 174.700 -0.011 0.000 1.117 306 T CA -0.102 61.995 62.100 -0.005 0.000 1.034 306 T CB -0.014 68.854 68.868 0.000 0.000 0.968 306 T HN -0.030 nan 8.240 nan 0.000 0.526 307 L N 1.642 122.853 121.223 -0.022 0.000 2.387 307 L HA 0.503 4.843 4.340 -0.000 0.000 0.266 307 L C -2.184 174.673 176.870 -0.022 0.000 1.059 307 L CA -2.851 51.973 54.840 -0.026 0.000 0.801 307 L CB 0.926 42.956 42.059 -0.048 0.000 1.223 307 L HN -0.082 nan 8.230 nan 0.000 0.456 308 P HA -0.021 nan 4.420 nan 0.000 0.267 308 P C 0.179 177.468 177.300 -0.018 0.000 1.200 308 P CA -0.089 63.002 63.100 -0.014 0.000 0.772 308 P CB 0.492 32.186 31.700 -0.010 0.000 0.855 309 E N 2.177 122.370 120.200 -0.012 0.000 2.086 309 E HA -0.266 4.084 4.350 -0.000 0.000 0.200 309 E C 1.960 178.551 176.600 -0.014 0.000 1.012 309 E CA 2.107 58.501 56.400 -0.010 0.000 0.812 309 E CB -0.975 28.723 29.700 -0.004 0.000 0.743 309 E HN 0.533 nan 8.360 nan 0.000 0.453 310 A N 1.550 124.364 122.820 -0.011 0.000 1.883 310 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 310 A C 2.171 179.742 177.584 -0.021 0.000 1.186 310 A CA 2.326 54.358 52.037 -0.009 0.000 0.624 310 A CB -0.428 18.570 19.000 -0.003 0.000 0.822 310 A HN 0.131 nan 8.150 nan 0.000 0.444 311 K N 0.054 120.436 120.400 -0.031 0.000 2.057 311 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 311 K C 2.157 178.691 176.600 -0.110 0.000 1.049 311 K CA 2.043 58.295 56.287 -0.060 0.000 0.931 311 K CB -0.467 32.000 32.500 -0.056 0.000 0.714 311 K HN 0.655 nan 8.250 nan 0.000 0.440 312 Q N 0.147 119.897 119.800 -0.085 0.000 2.096 312 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 312 Q C 2.123 178.079 176.000 -0.073 0.000 0.982 312 Q CA 1.874 57.623 55.803 -0.091 0.000 0.850 312 Q CB -0.243 28.468 28.738 -0.045 0.000 0.901 312 Q HN 0.322 nan 8.270 nan 0.000 0.422 313 K N 1.130 121.506 120.400 -0.040 0.000 2.032 313 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 313 K C 2.021 178.606 176.600 -0.026 0.000 1.048 313 K CA 1.656 57.934 56.287 -0.017 0.000 0.927 313 K CB -0.027 32.471 32.500 -0.004 0.000 0.712 313 K HN 0.193 nan 8.250 nan 0.000 0.441 314 E N 0.551 120.726 120.200 -0.042 0.000 2.077 314 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 314 E C 2.028 178.575 176.600 -0.089 0.000 0.989 314 E CA 1.303 57.689 56.400 -0.023 0.000 0.800 314 E CB -0.069 29.644 29.700 0.021 0.000 0.746 314 E HN 0.378 nan 8.360 nan 0.000 0.452 315 I N 0.967 121.372 120.570 -0.275 0.000 2.202 315 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 315 I C 2.372 178.366 176.117 -0.205 0.000 1.091 315 I CA 1.343 62.384 61.300 -0.432 0.000 1.368 315 I CB -0.364 37.301 38.000 -0.559 0.000 1.058 315 I HN 0.174 nan 8.210 nan 0.000 0.410 316 E N 1.037 121.166 120.200 -0.118 0.000 2.085 316 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 316 E C 2.317 178.948 176.600 0.051 0.000 0.994 316 E CA 1.371 57.781 56.400 0.016 0.000 0.801 316 E CB -0.196 29.561 29.700 0.096 0.000 0.743 316 E HN 0.524 nan 8.360 nan 0.000 0.453 317 A N 1.599 124.436 122.820 0.028 0.000 1.930 317 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 317 A C 1.724 179.336 177.584 0.048 0.000 1.175 317 A CA 1.525 53.590 52.037 0.048 0.000 0.627 317 A CB -0.209 18.813 19.000 0.038 0.000 0.815 317 A HN 0.091 nan 8.150 nan 0.000 0.443 318 D N -0.124 120.300 120.400 0.040 0.000 2.183 318 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 318 D C 1.834 178.145 176.300 0.018 0.000 0.969 318 D CA 0.845 54.877 54.000 0.053 0.000 0.842 318 D CB -0.186 40.697 40.800 0.139 0.000 0.957 318 D HN 0.523 nan 8.370 nan 0.000 0.484 319 I N 0.903 121.469 120.570 -0.006 0.000 2.353 319 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 319 I C 2.327 178.387 176.117 -0.094 0.000 1.119 319 I CA 0.718 61.988 61.300 -0.050 0.000 1.417 319 I CB -0.048 37.919 38.000 -0.055 0.000 1.078 319 I HN -0.112 nan 8.210 nan 0.000 0.421 320 Q N 0.644 120.487 119.800 0.072 0.000 2.167 320 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 320 Q C 2.416 178.495 176.000 0.132 0.000 0.970 320 Q CA 1.639 57.562 55.803 0.200 0.000 0.855 320 Q CB -0.377 28.477 28.738 0.193 0.000 0.911 320 Q HN 0.549 nan 8.270 nan 0.000 0.438 321 A N 0.121 122.975 122.820 0.056 0.000 1.969 321 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 321 A C 2.398 179.979 177.584 -0.006 0.000 1.169 321 A CA 1.122 53.177 52.037 0.031 0.000 0.635 321 A CB -0.405 18.604 19.000 0.016 0.000 0.810 321 A HN 0.199 nan 8.150 nan 0.000 0.445 322 V N -1.392 118.484 119.914 -0.062 0.000 2.358 322 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 322 V C 2.267 178.293 176.094 -0.112 0.000 1.047 322 V CA 1.750 63.959 62.300 -0.153 0.000 1.035 322 V CB -1.071 30.621 31.823 -0.218 0.000 0.658 322 V HN 0.721 nan 8.190 nan 0.000 0.452 323 Y N 0.180 120.509 120.300 0.049 0.000 2.333 323 Y HA -0.208 4.342 4.550 -0.000 0.000 0.290 323 Y C 2.486 178.397 175.900 0.017 0.000 1.144 323 Y CA 0.684 58.831 58.100 0.079 0.000 1.228 323 Y CB -0.249 38.302 38.460 0.151 0.000 0.985 323 Y HN 0.271 nan 8.280 nan 0.000 0.542 324 A N -0.520 122.392 122.820 0.153 0.000 2.014 324 A HA -0.126 4.193 4.320 -0.000 0.000 0.218 324 A C 1.959 179.552 177.584 0.015 0.000 1.163 324 A CA 1.038 53.120 52.037 0.075 0.000 0.652 324 A CB -0.142 18.892 19.000 0.057 0.000 0.808 324 A HN 0.310 nan 8.150 nan 0.000 0.449 325 Q N -0.858 118.924 119.800 -0.029 0.000 2.391 325 Q HA 0.178 4.518 4.340 -0.000 0.000 0.211 325 Q C 0.486 176.412 176.000 -0.124 0.000 0.908 325 Q CA 0.411 56.168 55.803 -0.077 0.000 0.920 325 Q CB 0.151 28.829 28.738 -0.101 0.000 1.056 325 Q HN 0.459 nan 8.270 nan 0.000 0.523 326 R N 1.195 121.595 120.500 -0.168 0.000 2.553 326 R HA 0.331 4.671 4.340 -0.000 0.000 0.263 326 R C -2.176 174.087 176.300 -0.062 0.000 1.066 326 R CA -1.849 54.100 56.100 -0.252 0.000 1.135 326 R CB 0.067 29.942 30.300 -0.708 0.000 1.148 326 R HN -0.026 nan 8.270 nan 0.000 0.558 327 P HA 0.034 nan 4.420 nan 0.000 0.274 327 P C -1.024 176.352 177.300 0.126 0.000 1.246 327 P CA -0.249 62.875 63.100 0.041 0.000 0.795 327 P CB 0.574 32.299 31.700 0.042 0.000 1.006 328 Q N 0.195 120.035 119.800 0.067 0.000 2.373 328 Q HA 0.311 4.651 4.340 -0.000 0.000 0.255 328 Q C -0.120 175.920 176.000 0.068 0.000 0.980 328 Q CA -0.330 55.507 55.803 0.056 0.000 0.882 328 Q CB 0.414 29.133 28.738 -0.032 0.000 1.249 328 Q HN 0.393 nan 8.270 nan 0.000 0.438 329 L N 1.215 122.461 121.223 0.038 0.000 2.343 329 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 329 L C 0.088 176.958 176.870 0.001 0.000 1.056 329 L CA -0.854 53.982 54.840 -0.007 0.000 0.804 329 L CB 1.255 43.260 42.059 -0.089 0.000 1.203 329 L HN 0.670 nan 8.230 nan 0.000 0.440 330 A N 3.900 126.729 122.820 0.014 0.000 2.445 330 A HA 0.490 4.810 4.320 -0.000 0.000 0.242 330 A C -0.174 177.442 177.584 0.053 0.000 1.075 330 A CA -0.130 51.938 52.037 0.051 0.000 0.777 330 A CB 0.231 19.255 19.000 0.041 0.000 1.013 330 A HN 0.571 nan 8.150 nan 0.000 0.493 331 M N 2.731 122.394 119.600 0.106 0.000 2.364 331 M HA 0.239 4.719 4.480 -0.000 0.000 0.334 331 M C 0.792 177.147 176.300 0.091 0.000 1.107 331 M CA -0.448 54.893 55.300 0.069 0.000 0.988 331 M CB 1.199 33.828 32.600 0.048 0.000 1.673 331 M HN 0.399 nan 8.290 nan 0.000 0.441 332 V N 1.663 121.590 119.914 0.021 0.000 2.649 332 V HA 0.011 4.131 4.120 -0.000 0.000 0.248 332 V C 0.720 176.788 176.094 -0.044 0.000 1.054 332 V CA 1.180 63.490 62.300 0.016 0.000 1.073 332 V CB -0.285 31.535 31.823 -0.004 0.000 0.699 332 V HN 0.906 nan 8.190 nan 0.000 0.463 333 N N -0.575 118.068 118.700 -0.095 0.000 2.747 333 N HA 0.044 4.784 4.740 -0.000 0.000 0.262 333 N C 0.854 176.273 175.510 -0.151 0.000 1.261 333 N CA 0.717 53.680 53.050 -0.146 0.000 0.809 333 N CB 1.781 40.186 38.487 -0.137 0.000 1.450 333 N HN 0.164 nan 8.380 nan 0.000 0.560 334 S N 1.617 117.227 115.700 -0.150 0.000 2.382 334 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 334 S C 1.051 175.578 174.600 -0.121 0.000 1.027 334 S CA 1.061 59.192 58.200 -0.115 0.000 0.991 334 S CB 0.043 63.194 63.200 -0.082 0.000 0.823 334 S HN 0.455 nan 8.310 nan 0.000 0.469 335 D N 2.034 122.351 120.400 -0.137 0.000 2.144 335 D HA -0.040 4.599 4.640 -0.000 0.000 0.199 335 D C 1.525 177.760 176.300 -0.109 0.000 0.984 335 D CA 1.140 55.072 54.000 -0.115 0.000 0.834 335 D CB -0.152 40.577 40.800 -0.118 0.000 0.955 335 D HN 0.552 nan 8.370 nan 0.000 0.465 336 K N -0.275 120.049 120.400 -0.128 0.000 2.410 336 K HA 0.223 4.543 4.320 -0.000 0.000 0.200 336 K C 0.855 177.350 176.600 -0.175 0.000 1.023 336 K CA 0.203 56.409 56.287 -0.134 0.000 1.149 336 K CB 0.957 33.378 32.500 -0.131 0.000 0.859 336 K HN 0.060 nan 8.250 nan 0.000 0.514 337 G N 2.250 110.946 108.800 -0.173 0.000 2.225 337 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.267 337 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.267 337 G C 0.047 174.730 174.900 -0.363 0.000 1.024 337 G CA -0.134 44.845 45.100 -0.202 0.000 0.784 337 G HN 0.210 nan 8.290 nan 0.000 0.507 338 I N 2.252 122.585 120.570 -0.395 0.000 2.322 338 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 338 I C 1.412 177.318 176.117 -0.352 0.000 1.060 338 I CA 0.216 61.140 61.300 -0.626 0.000 1.309 338 I CB -0.069 37.722 38.000 -0.348 0.000 1.415 338 I HN 0.335 nan 8.210 nan 0.000 0.492 339 T N 1.777 116.171 114.554 -0.267 0.000 2.849 339 T HA 0.179 4.528 4.350 -0.000 0.000 0.276 339 T C 1.076 175.864 174.700 0.146 0.000 0.971 339 T CA -0.552 61.587 62.100 0.064 0.000 0.949 339 T CB 1.133 70.131 68.868 0.216 0.000 1.093 339 T HN 0.599 nan 8.240 nan 0.000 0.545 340 N N -0.680 118.082 118.700 0.104 0.000 2.381 340 N HA 0.025 4.765 4.740 -0.000 0.000 0.182 340 N C 1.334 176.997 175.510 0.256 0.000 1.025 340 N CA 0.331 53.450 53.050 0.114 0.000 0.888 340 N CB -0.264 38.235 38.487 0.021 0.000 0.965 340 N HN 0.552 nan 8.380 nan 0.000 0.438 341 L N -0.807 120.559 121.223 0.238 0.000 2.628 341 L HA 0.116 4.456 4.340 -0.000 0.000 0.229 341 L C 1.059 178.171 176.870 0.403 0.000 1.137 341 L CA -0.099 54.898 54.840 0.263 0.000 0.909 341 L CB -0.102 41.954 42.059 -0.004 0.000 1.137 341 L HN 0.219 nan 8.230 nan 0.000 0.470 342 H N -0.243 118.992 119.070 0.275 0.000 2.333 342 H HA 0.088 4.644 4.556 -0.000 0.000 0.302 342 H C 0.206 175.666 175.328 0.220 0.000 1.075 342 H CA 0.904 57.087 56.048 0.225 0.000 1.348 342 H CB 0.423 30.265 29.762 0.133 0.000 1.393 342 H HN -0.053 nan 8.280 nan 0.000 0.509 343 V N 0.888 120.965 119.914 0.271 0.000 2.577 343 V HA 0.157 4.277 4.120 -0.000 0.000 0.303 343 V C -1.783 174.171 176.094 -0.233 0.000 1.042 343 V CA -1.357 60.978 62.300 0.059 0.000 0.872 343 V CB 2.394 34.239 31.823 0.035 0.000 0.998 343 V HN 0.068 nan 8.190 nan 0.000 0.423 344 P HA -0.132 nan 4.420 nan 0.000 0.218 344 P C 1.484 178.447 177.300 -0.561 0.000 1.148 344 P CA 1.614 63.985 63.100 -1.215 0.000 0.822 344 P CB 0.233 31.421 31.700 -0.853 0.000 0.784 345 S N -2.367 113.156 115.700 -0.295 0.000 2.558 345 S HA -0.011 4.458 4.470 -0.000 0.000 0.217 345 S C 1.468 176.006 174.600 -0.103 0.000 0.975 345 S CA 0.348 58.449 58.200 -0.165 0.000 0.912 345 S CB -0.792 62.340 63.200 -0.113 0.000 0.776 345 S HN -0.000 nan 8.310 nan 0.000 0.526 346 D N 2.085 122.429 120.400 -0.092 0.000 2.097 346 D HA 0.012 4.652 4.640 -0.000 0.000 0.195 346 D C 0.350 176.635 176.300 -0.026 0.000 0.989 346 D CA 0.891 54.870 54.000 -0.035 0.000 0.827 346 D CB -0.202 40.596 40.800 -0.002 0.000 0.966 346 D HN 0.299 nan 8.370 nan 0.000 0.456 347 V N 2.228 122.118 119.914 -0.041 0.000 2.333 347 V HA 0.265 4.385 4.120 -0.000 0.000 0.274 347 V C 0.200 176.275 176.094 -0.032 0.000 1.028 347 V CA -0.409 61.869 62.300 -0.037 0.000 0.851 347 V CB 1.307 33.078 31.823 -0.085 0.000 1.000 347 V HN -0.022 nan 8.190 nan 0.000 0.456 348 I N 4.995 125.564 120.570 -0.002 0.000 2.354 348 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 348 I C 1.261 177.394 176.117 0.027 0.000 1.007 348 I CA -0.340 60.968 61.300 0.014 0.000 1.167 348 I CB 1.646 39.655 38.000 0.015 0.000 1.320 348 I HN 0.428 nan 8.210 nan 0.000 0.458 349 V N 6.385 126.317 119.914 0.031 0.000 2.277 349 V HA -0.363 3.757 4.120 -0.000 0.000 0.255 349 V C 2.248 178.230 176.094 -0.188 0.000 1.074 349 V CA 3.012 65.276 62.300 -0.059 0.000 1.058 349 V CB -0.357 31.413 31.823 -0.088 0.000 0.656 349 V HN 1.040 nan 8.190 nan 0.000 0.449 350 D N 0.066 120.405 120.400 -0.101 0.000 2.221 350 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 350 D C 1.793 178.090 176.300 -0.005 0.000 0.982 350 D CA 1.926 55.908 54.000 -0.029 0.000 0.857 350 D CB -0.320 40.576 40.800 0.161 0.000 0.934 350 D HN 0.607 nan 8.370 nan 0.000 0.475 351 A N 0.634 123.454 122.820 -0.001 0.000 1.993 351 A HA 0.080 4.400 4.320 -0.000 0.000 0.207 351 A C 2.288 179.874 177.584 0.003 0.000 1.224 351 A CA 0.979 53.022 52.037 0.010 0.000 0.749 351 A CB -0.242 18.773 19.000 0.025 0.000 0.884 351 A HN 0.318 nan 8.150 nan 0.000 0.467 352 S N -0.373 115.337 115.700 0.016 0.000 2.383 352 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 352 S C 1.937 176.525 174.600 -0.019 0.000 1.026 352 S CA 1.557 59.797 58.200 0.067 0.000 0.981 352 S CB -0.424 62.891 63.200 0.191 0.000 0.818 352 S HN 0.273 nan 8.310 nan 0.000 0.472 353 M N 1.962 121.431 119.600 -0.218 0.000 2.099 353 M HA 0.120 4.600 4.480 -0.000 0.000 0.262 353 M C -0.771 175.407 176.300 -0.204 0.000 1.067 353 M CA 0.726 55.746 55.300 -0.466 0.000 1.124 353 M CB -2.561 29.346 32.600 -1.155 0.000 1.353 353 M HN 0.220 nan 8.290 nan 0.000 0.410 354 P HA -0.026 nan 4.420 nan 0.000 0.217 354 P C 1.282 178.603 177.300 0.035 0.000 1.150 354 P CA 1.757 64.863 63.100 0.010 0.000 0.832 354 P CB -0.156 31.553 31.700 0.015 0.000 0.787 355 A N -0.270 122.559 122.820 0.016 0.000 1.902 355 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 355 A C 2.195 179.790 177.584 0.018 0.000 1.181 355 A CA 1.788 53.844 52.037 0.031 0.000 0.623 355 A CB -1.544 17.477 19.000 0.035 0.000 0.818 355 A HN 0.099 nan 8.150 nan 0.000 0.443 356 M N -0.068 119.531 119.600 -0.002 0.000 2.099 356 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 356 M C 2.015 178.349 176.300 0.056 0.000 1.067 356 M CA 1.794 57.081 55.300 -0.021 0.000 1.124 356 M CB -0.688 31.888 32.600 -0.041 0.000 1.353 356 M HN 0.435 nan 8.290 nan 0.000 0.410 357 I N -0.114 120.539 120.570 0.138 0.000 2.163 357 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 357 I C 2.724 179.107 176.117 0.443 0.000 1.085 357 I CA 1.488 63.006 61.300 0.363 0.000 1.347 357 I CB -0.635 37.521 38.000 0.261 0.000 1.044 357 I HN 0.395 nan 8.210 nan 0.000 0.408 358 R N 0.826 121.487 120.500 0.269 0.000 2.096 358 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 358 R C 0.989 177.388 176.300 0.165 0.000 1.127 358 R CA 1.516 57.774 56.100 0.264 0.000 0.968 358 R CB -0.135 30.279 30.300 0.190 0.000 0.861 358 R HN 0.211 nan 8.270 nan 0.000 0.440 359 D N 0.741 121.161 120.400 0.034 0.000 3.032 359 D HA 0.058 4.698 4.640 -0.000 0.000 0.241 359 D C -0.473 175.655 176.300 -0.287 0.000 1.196 359 D CA 0.239 54.170 54.000 -0.115 0.000 0.927 359 D CB 0.177 40.868 40.800 -0.181 0.000 1.129 359 D HN 0.216 nan 8.370 nan 0.000 0.458 360 S N -0.593 114.861 115.700 -0.410 0.000 3.380 360 S HA -0.222 4.247 4.470 -0.000 0.000 0.300 360 S C 1.238 174.996 174.600 -1.403 0.000 1.255 360 S CA 0.777 58.338 58.200 -1.065 0.000 0.963 360 S CB -1.537 61.264 63.200 -0.664 0.000 1.106 360 S HN 0.749 nan 8.310 nan 0.000 0.629 361 G N 0.164 108.530 108.800 -0.723 0.000 2.160 361 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.244 361 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.244 361 G C -0.269 174.457 174.900 -0.291 0.000 1.022 361 G CA 0.823 45.696 45.100 -0.378 0.000 0.741 361 G HN 0.692 nan 8.290 nan 0.000 0.508 362 K N -1.001 119.213 120.400 -0.311 0.000 2.295 362 K HA 0.864 5.184 4.320 -0.000 0.000 0.239 362 K C 0.237 176.668 176.600 -0.281 0.000 0.991 362 K CA -0.841 55.281 56.287 -0.275 0.000 0.845 362 K CB 1.615 33.904 32.500 -0.350 0.000 1.197 362 K HN 0.196 nan 8.250 nan 0.000 0.441 363 M N 0.256 119.710 119.600 -0.243 0.000 2.691 363 M HA 0.378 4.858 4.480 -0.000 0.000 0.293 363 M C -1.381 174.768 176.300 -0.251 0.000 1.259 363 M CA -0.829 54.318 55.300 -0.255 0.000 0.827 363 M CB 1.823 34.394 32.600 -0.047 0.000 1.753 363 M HN 0.483 nan 8.290 nan 0.000 0.465 364 W N 0.560 121.871 121.300 0.019 0.000 2.253 364 W HA 0.484 5.144 4.660 -0.000 0.000 0.322 364 W C 0.694 177.258 176.519 0.076 0.000 1.342 364 W CA -0.203 57.159 57.345 0.028 0.000 1.218 364 W CB 0.211 29.671 29.460 0.000 0.000 1.205 364 W HN 0.601 nan 8.180 nan 0.000 0.551 365 G N 2.635 111.692 108.800 0.428 0.000 2.521 365 G HA2 0.356 4.316 3.960 -0.000 0.000 0.323 365 G HA3 0.356 4.316 3.960 -0.000 0.000 0.323 365 G C -2.107 172.901 174.900 0.180 0.000 1.211 365 G CA -1.302 43.971 45.100 0.288 0.000 0.979 365 G HN 0.199 nan 8.290 nan 0.000 0.490 366 P HA -0.091 nan 4.420 nan 0.000 0.217 366 P C 1.115 178.433 177.300 0.031 0.000 1.148 366 P CA 1.510 64.611 63.100 0.002 0.000 0.828 366 P CB 0.181 31.848 31.700 -0.055 0.000 0.783 367 D N -1.827 118.626 120.400 0.088 0.000 2.363 367 D HA 0.051 4.691 4.640 -0.000 0.000 0.226 367 D C 1.354 177.720 176.300 0.111 0.000 1.020 367 D CA 0.693 54.751 54.000 0.097 0.000 0.892 367 D CB -1.136 39.742 40.800 0.130 0.000 0.900 367 D HN 0.200 nan 8.370 nan 0.000 0.531 368 G N -0.234 108.649 108.800 0.139 0.000 2.143 368 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.249 368 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.249 368 G C 0.072 175.135 174.900 0.271 0.000 0.981 368 G CA 0.264 45.425 45.100 0.101 0.000 0.665 368 G HN 0.391 nan 8.290 nan 0.000 0.528 369 K N -0.413 120.187 120.400 0.334 0.000 2.295 369 K HA 0.709 5.029 4.320 -0.000 0.000 0.239 369 K C 0.543 177.086 176.600 -0.095 0.000 0.991 369 K CA -1.014 55.385 56.287 0.186 0.000 0.845 369 K CB 1.475 33.956 32.500 -0.031 0.000 1.197 369 K HN 0.161 nan 8.250 nan 0.000 0.441 370 L N 1.970 122.949 121.223 -0.407 0.000 2.397 370 L HA 0.273 4.613 4.340 -0.000 0.000 0.271 370 L C -0.200 176.210 176.870 -0.767 0.000 1.148 370 L CA 0.012 54.488 54.840 -0.606 0.000 0.825 370 L CB 0.202 41.886 42.059 -0.624 0.000 1.117 370 L HN 0.554 nan 8.230 nan 0.000 0.456 371 H N -0.614 118.356 119.070 -0.166 0.000 3.016 371 H HA 0.293 4.849 4.556 -0.000 0.000 0.362 371 H C -1.212 174.041 175.328 -0.125 0.000 1.233 371 H CA -1.015 54.966 56.048 -0.112 0.000 1.124 371 H CB 1.134 30.864 29.762 -0.052 0.000 1.850 371 H HN 0.440 nan 8.280 nan 0.000 0.549 372 D N 0.482 120.901 120.400 0.033 0.000 2.400 372 D HA 0.263 4.903 4.640 -0.000 0.000 0.238 372 D C 0.198 176.511 176.300 0.021 0.000 1.157 372 D CA 0.549 54.542 54.000 -0.012 0.000 0.889 372 D CB 1.105 41.912 40.800 0.011 0.000 1.199 372 D HN 0.390 nan 8.370 nan 0.000 0.436 373 T N -0.367 114.190 114.554 0.005 0.000 2.900 373 T HA 0.317 4.667 4.350 -0.000 0.000 0.303 373 T C -1.231 173.417 174.700 -0.086 0.000 1.142 373 T CA -0.945 61.152 62.100 -0.005 0.000 1.007 373 T CB 1.183 70.056 68.868 0.008 0.000 1.156 373 T HN 0.280 nan 8.240 nan 0.000 0.490 374 K N 2.940 123.257 120.400 -0.138 0.000 2.266 374 K HA 0.655 4.975 4.320 -0.000 0.000 0.274 374 K C -0.323 176.177 176.600 -0.167 0.000 1.090 374 K CA -0.622 55.426 56.287 -0.397 0.000 0.925 374 K CB 0.326 32.681 32.500 -0.241 0.000 1.225 374 K HN 0.647 nan 8.250 nan 0.000 0.458 375 A N 4.588 127.317 122.820 -0.152 0.000 2.376 375 A HA 0.240 4.560 4.320 -0.000 0.000 0.298 375 A C -0.205 177.439 177.584 0.100 0.000 1.271 375 A CA -0.591 51.463 52.037 0.028 0.000 0.926 375 A CB 0.342 19.224 19.000 -0.198 0.000 1.141 375 A HN 0.524 nan 8.150 nan 0.000 0.539 376 V N 4.830 124.868 119.914 0.208 0.000 2.427 376 V HA 0.212 4.332 4.120 -0.000 0.000 0.268 376 V C 0.128 176.406 176.094 0.306 0.000 1.046 376 V CA 0.478 62.928 62.300 0.250 0.000 0.970 376 V CB 0.196 32.143 31.823 0.206 0.000 1.001 376 V HN 0.685 nan 8.190 nan 0.000 0.476 377 I N 7.276 128.035 120.570 0.314 0.000 2.583 377 I HA 0.251 4.421 4.170 -0.000 0.000 0.276 377 I C -1.816 174.454 176.117 0.255 0.000 1.089 377 I CA -1.570 59.901 61.300 0.285 0.000 1.103 377 I CB 2.015 40.175 38.000 0.267 0.000 1.209 377 I HN 0.414 nan 8.210 nan 0.000 0.484 378 P HA -0.204 nan 4.420 nan 0.000 0.217 378 P C 0.213 177.460 177.300 -0.090 0.000 1.162 378 P CA 1.442 64.520 63.100 -0.035 0.000 0.901 378 P CB 0.134 31.878 31.700 0.072 0.000 0.793 379 D N -1.933 118.506 120.400 0.066 0.000 2.304 379 D HA 0.088 4.728 4.640 -0.000 0.000 0.250 379 D C 1.105 177.390 176.300 -0.024 0.000 1.107 379 D CA -0.256 53.781 54.000 0.062 0.000 0.885 379 D CB 0.570 41.508 40.800 0.231 0.000 1.192 379 D HN -0.167 nan 8.370 nan 0.000 0.436 380 R N 2.303 122.697 120.500 -0.176 0.000 2.280 380 R HA -0.032 4.307 4.340 -0.000 0.000 0.207 380 R C 1.817 177.776 176.300 -0.569 0.000 1.043 380 R CA 0.155 55.947 56.100 -0.513 0.000 1.006 380 R CB -0.307 29.477 30.300 -0.860 0.000 0.885 380 R HN 0.579 nan 8.270 nan 0.000 0.467 381 C N -0.493 118.592 119.300 -0.357 0.000 2.376 381 C HA -0.175 4.285 4.460 -0.000 0.000 0.275 381 C C 1.753 176.298 174.990 -0.742 0.000 1.200 381 C CA 1.041 59.722 59.018 -0.561 0.000 1.756 381 C CB -0.605 26.594 27.740 -0.902 0.000 2.050 381 C HN 0.529 nan 8.230 nan 0.000 0.460 382 Y N -1.064 119.299 120.300 0.105 0.000 2.527 382 Y HA 0.408 4.957 4.550 -0.000 0.000 0.247 382 Y C 2.085 178.080 175.900 0.159 0.000 1.138 382 Y CA 0.403 58.594 58.100 0.152 0.000 1.228 382 Y CB -0.623 38.004 38.460 0.277 0.000 1.252 382 Y HN 0.125 nan 8.280 nan 0.000 0.531 383 A N 0.915 123.855 122.820 0.199 0.000 1.940 383 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 383 A C 2.459 180.148 177.584 0.175 0.000 1.176 383 A CA 1.985 54.166 52.037 0.239 0.000 0.631 383 A CB -1.286 17.808 19.000 0.157 0.000 0.814 383 A HN 0.497 nan 8.150 nan 0.000 0.446 384 G N -0.358 108.451 108.800 0.016 0.000 2.440 384 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 384 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 384 G C 1.529 176.479 174.900 0.083 0.000 1.154 384 G CA 1.334 46.444 45.100 0.017 0.000 0.767 384 G HN 0.331 nan 8.290 nan 0.000 0.552 385 V N -0.050 119.918 119.914 0.090 0.000 2.252 385 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 385 V C 2.427 178.555 176.094 0.056 0.000 1.056 385 V CA 2.039 64.387 62.300 0.080 0.000 1.022 385 V CB -0.835 31.039 31.823 0.085 0.000 0.641 385 V HN 0.529 nan 8.190 nan 0.000 0.445 386 Y N -0.379 120.006 120.300 0.141 0.000 2.224 386 Y HA -0.291 4.258 4.550 -0.000 0.000 0.289 386 Y C 2.770 178.709 175.900 0.066 0.000 1.146 386 Y CA 1.602 59.747 58.100 0.075 0.000 1.182 386 Y CB -0.269 38.210 38.460 0.032 0.000 0.983 386 Y HN 0.237 nan 8.280 nan 0.000 0.524 387 Q N 0.563 120.508 119.800 0.241 0.000 2.124 387 Q HA -0.139 4.200 4.340 -0.000 0.000 0.202 387 Q C 2.117 178.185 176.000 0.113 0.000 0.977 387 Q CA 1.833 57.741 55.803 0.175 0.000 0.850 387 Q CB -0.602 28.247 28.738 0.184 0.000 0.901 387 Q HN 0.343 nan 8.270 nan 0.000 0.429 388 V N -0.576 119.399 119.914 0.101 0.000 2.295 388 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 388 V C 2.294 178.421 176.094 0.055 0.000 1.049 388 V CA 1.646 63.987 62.300 0.069 0.000 1.024 388 V CB -0.665 31.200 31.823 0.070 0.000 0.648 388 V HN 0.239 nan 8.190 nan 0.000 0.447 389 V N -0.209 119.756 119.914 0.084 0.000 2.407 389 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 389 V C 2.173 178.209 176.094 -0.097 0.000 1.055 389 V CA 2.075 64.417 62.300 0.069 0.000 1.049 389 V CB -0.515 31.387 31.823 0.132 0.000 0.662 389 V HN 0.439 nan 8.190 nan 0.000 0.455 390 I N 0.024 120.552 120.570 -0.070 0.000 2.142 390 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 390 I C 2.560 178.501 176.117 -0.294 0.000 1.078 390 I CA 1.741 62.917 61.300 -0.205 0.000 1.343 390 I CB -0.415 37.618 38.000 0.054 0.000 1.046 390 I HN 0.376 nan 8.210 nan 0.000 0.405 391 E N 0.326 120.456 120.200 -0.115 0.000 2.204 391 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 391 E C 1.530 178.020 176.600 -0.185 0.000 0.990 391 E CA 1.404 57.741 56.400 -0.105 0.000 0.821 391 E CB -0.173 29.508 29.700 -0.031 0.000 0.750 391 E HN 0.469 nan 8.360 nan 0.000 0.477 392 D N 0.036 120.326 120.400 -0.183 0.000 2.144 392 D HA -0.111 4.528 4.640 -0.000 0.000 0.200 392 D C 1.622 177.720 176.300 -0.337 0.000 0.978 392 D CA 0.890 54.797 54.000 -0.154 0.000 0.833 392 D CB 0.025 40.812 40.800 -0.022 0.000 0.961 392 D HN 0.124 nan 8.370 nan 0.000 0.470 393 C N 0.261 119.186 119.300 -0.624 0.000 2.467 393 C HA 0.087 4.547 4.460 -0.000 0.000 0.279 393 C C 2.356 176.994 174.990 -0.586 0.000 1.347 393 C CA 0.126 58.575 59.018 -0.949 0.000 1.748 393 C CB -0.607 25.931 27.740 -2.003 0.000 1.977 393 C HN 0.351 nan 8.230 nan 0.000 0.501 394 K N 0.486 120.641 120.400 -0.408 0.000 2.097 394 K HA -0.196 4.124 4.320 -0.000 0.000 0.205 394 K C 2.189 178.725 176.600 -0.107 0.000 1.050 394 K CA 1.209 57.465 56.287 -0.051 0.000 0.938 394 K CB -0.217 32.291 32.500 0.013 0.000 0.718 394 K HN 0.559 nan 8.250 nan 0.000 0.442 395 Q N -0.169 119.484 119.800 -0.246 0.000 2.123 395 Q HA -0.096 4.244 4.340 -0.000 0.000 0.196 395 Q C 1.170 176.926 176.000 -0.406 0.000 0.958 395 Q CA 1.011 56.598 55.803 -0.360 0.000 0.841 395 Q CB 0.385 28.794 28.738 -0.549 0.000 0.915 395 Q HN 0.434 nan 8.270 nan 0.000 0.455 396 H N -0.927 118.065 119.070 -0.131 0.000 2.652 396 H HA 0.306 4.862 4.556 -0.000 0.000 0.274 396 H C 0.712 175.952 175.328 -0.147 0.000 1.021 396 H CA 0.729 56.702 56.048 -0.126 0.000 1.187 396 H CB 0.788 30.468 29.762 -0.137 0.000 1.505 396 H HN 0.402 nan 8.280 nan 0.000 0.530 397 G N 0.971 109.726 108.800 -0.076 0.000 2.828 397 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.463 397 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.463 397 G C 0.073 174.869 174.900 -0.173 0.000 1.394 397 G CA -0.369 44.711 45.100 -0.033 0.000 0.862 397 G HN 0.577 nan 8.290 nan 0.000 0.540 398 A N -0.347 122.466 122.820 -0.010 0.000 2.492 398 A HA 0.561 4.881 4.320 -0.000 0.000 0.236 398 A C 0.432 177.942 177.584 -0.122 0.000 1.078 398 A CA 0.472 52.492 52.037 -0.029 0.000 0.773 398 A CB -0.005 19.109 19.000 0.189 0.000 1.023 398 A HN 1.229 nan 8.150 nan 0.000 0.504 399 F N 0.381 120.368 119.950 0.061 0.000 2.471 399 F HA 0.183 4.710 4.527 -0.000 0.000 0.353 399 F C 0.960 176.777 175.800 0.029 0.000 1.113 399 F CA 0.305 58.333 58.000 0.046 0.000 1.262 399 F CB 0.719 39.762 39.000 0.072 0.000 1.146 399 F HN 0.536 nan 8.300 nan 0.000 0.578 400 D N 4.535 125.064 120.400 0.214 0.000 2.412 400 D HA 0.235 4.875 4.640 -0.000 0.000 0.224 400 D C -1.918 174.428 176.300 0.077 0.000 1.093 400 D CA -2.348 51.709 54.000 0.095 0.000 0.850 400 D CB 1.528 42.362 40.800 0.057 0.000 1.046 400 D HN 0.126 nan 8.370 nan 0.000 0.507 401 P HA -0.136 nan 4.420 nan 0.000 0.218 401 P C 1.348 178.659 177.300 0.019 0.000 1.148 401 P CA 1.428 64.542 63.100 0.023 0.000 0.822 401 P CB 0.160 31.787 31.700 -0.122 0.000 0.784 402 T N -4.641 109.908 114.554 -0.009 0.000 2.951 402 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 402 T C 1.541 176.236 174.700 -0.007 0.000 1.073 402 T CA 1.846 63.936 62.100 -0.018 0.000 1.134 402 T CB -1.227 67.621 68.868 -0.034 0.000 0.884 402 T HN 0.212 nan 8.240 nan 0.000 0.479 403 T N -0.694 113.864 114.554 0.008 0.000 2.958 403 T HA 0.393 4.743 4.350 -0.000 0.000 0.256 403 T C 0.837 175.545 174.700 0.013 0.000 0.983 403 T CA -0.446 61.658 62.100 0.006 0.000 0.924 403 T CB -0.406 68.465 68.868 0.005 0.000 1.136 403 T HN 0.623 nan 8.240 nan 0.000 0.506 404 M N 1.636 121.256 119.600 0.034 0.000 2.245 404 M HA 0.602 5.082 4.480 -0.000 0.000 0.330 404 M C 0.827 177.123 176.300 -0.006 0.000 1.098 404 M CA -0.268 55.051 55.300 0.032 0.000 1.172 404 M CB 0.316 32.955 32.600 0.066 0.000 1.467 404 M HN 0.081 nan 8.290 nan 0.000 0.454 405 G N 1.749 110.528 108.800 -0.036 0.000 2.504 405 G HA2 0.541 4.501 3.960 -0.000 0.000 0.257 405 G HA3 0.541 4.501 3.960 -0.000 0.000 0.257 405 G C -1.032 173.812 174.900 -0.093 0.000 1.451 405 G CA -0.860 44.200 45.100 -0.067 0.000 1.059 405 G HN 0.803 nan 8.290 nan 0.000 0.550 406 S N -2.244 113.375 115.700 -0.135 0.000 2.569 406 S HA 0.546 5.016 4.470 -0.000 0.000 0.280 406 S C -1.013 173.409 174.600 -0.297 0.000 1.111 406 S CA -0.435 57.660 58.200 -0.175 0.000 0.887 406 S CB 2.249 65.383 63.200 -0.109 0.000 1.095 406 S HN 0.444 nan 8.310 nan 0.000 0.476 407 V N 3.342 122.987 119.914 -0.449 0.000 2.320 407 V HA 0.333 4.453 4.120 -0.000 0.000 0.268 407 V C -2.499 173.371 176.094 -0.373 0.000 1.021 407 V CA -1.581 60.360 62.300 -0.599 0.000 0.813 407 V CB 0.624 31.586 31.823 -1.435 0.000 1.054 407 V HN 0.590 nan 8.190 nan 0.000 0.444 408 P HA 0.222 nan 4.420 nan 0.000 0.274 408 P C -0.555 176.657 177.300 -0.146 0.000 1.260 408 P CA -0.298 62.720 63.100 -0.137 0.000 0.793 408 P CB 0.672 32.307 31.700 -0.108 0.000 1.048 409 N N -0.495 118.136 118.700 -0.114 0.000 2.235 409 N HA 0.312 5.052 4.740 -0.000 0.000 0.293 409 N C -2.030 173.420 175.510 -0.099 0.000 1.083 409 N CA -0.440 52.531 53.050 -0.132 0.000 0.801 409 N CB 1.735 40.142 38.487 -0.133 0.000 1.559 409 N HN -0.037 nan 8.380 nan 0.000 0.472 410 V N 1.916 121.774 119.914 -0.093 0.000 2.304 410 V HA 0.547 4.667 4.120 -0.000 0.000 0.278 410 V C 0.627 176.799 176.094 0.130 0.000 1.018 410 V CA -0.662 61.624 62.300 -0.024 0.000 0.814 410 V CB 0.940 32.692 31.823 -0.118 0.000 1.021 410 V HN 0.722 nan 8.190 nan 0.000 0.440 411 G N 3.595 112.438 108.800 0.071 0.000 2.388 411 G HA2 0.604 4.564 3.960 -0.000 0.000 0.330 411 G HA3 0.604 4.564 3.960 -0.000 0.000 0.330 411 G C -1.092 173.719 174.900 -0.148 0.000 1.142 411 G CA -0.723 44.370 45.100 -0.011 0.000 0.908 411 G HN 0.590 nan 8.290 nan 0.000 0.473 412 L N 2.748 123.640 121.223 -0.551 0.000 2.315 412 L HA 0.603 4.943 4.340 -0.000 0.000 0.283 412 L C 0.904 177.499 176.870 -0.458 0.000 1.089 412 L CA 0.059 54.445 54.840 -0.755 0.000 0.833 412 L CB 0.656 41.891 42.059 -1.373 0.000 1.170 412 L HN 0.716 nan 8.230 nan 0.000 0.442 413 M N 3.609 123.015 119.600 -0.323 0.000 2.227 413 M HA 0.504 4.984 4.480 -0.000 0.000 0.422 413 M C 0.412 176.589 176.300 -0.206 0.000 0.947 413 M CA -0.260 54.853 55.300 -0.312 0.000 1.034 413 M CB 0.041 32.416 32.600 -0.375 0.000 2.060 413 M HN 0.442 nan 8.290 nan 0.000 0.689 414 A N 2.421 125.150 122.820 -0.151 0.000 2.567 414 A HA 0.215 4.535 4.320 -0.000 0.000 0.240 414 A C 0.556 178.093 177.584 -0.078 0.000 1.053 414 A CA 0.749 52.729 52.037 -0.095 0.000 0.755 414 A CB -0.212 18.753 19.000 -0.059 0.000 0.978 414 A HN 0.659 nan 8.150 nan 0.000 0.507 415 Q N 0.754 120.519 119.800 -0.058 0.000 2.460 415 Q HA -0.188 4.152 4.340 -0.000 0.000 0.311 415 Q C -0.267 175.711 176.000 -0.037 0.000 1.396 415 Q CA 0.852 56.633 55.803 -0.038 0.000 0.838 415 Q CB -1.576 27.147 28.738 -0.026 0.000 1.140 415 Q HN 0.947 nan 8.270 nan 0.000 0.415 416 K N -2.830 117.548 120.400 -0.037 0.000 3.278 416 K HA -0.186 4.133 4.320 -0.000 0.000 0.270 416 K C 0.134 176.713 176.600 -0.035 0.000 0.955 416 K CA 0.639 56.920 56.287 -0.010 0.000 0.723 416 K CB -1.710 30.797 32.500 0.011 0.000 1.382 416 K HN 0.601 nan 8.250 nan 0.000 0.461 417 A N 1.652 124.424 122.820 -0.081 0.000 2.445 417 A HA 0.246 4.566 4.320 -0.000 0.000 0.242 417 A C 0.915 178.443 177.584 -0.092 0.000 1.075 417 A CA 0.549 52.527 52.037 -0.099 0.000 0.777 417 A CB 0.143 19.050 19.000 -0.156 0.000 1.013 417 A HN 0.523 nan 8.150 nan 0.000 0.493 418 E N 0.315 120.447 120.200 -0.113 0.000 3.374 418 E HA -0.334 4.016 4.350 -0.000 0.000 0.319 418 E C 0.923 177.421 176.600 -0.170 0.000 1.492 418 E CA 1.533 57.824 56.400 -0.181 0.000 1.899 418 E CB -0.962 28.619 29.700 -0.198 0.000 1.894 418 E HN 0.818 nan 8.360 nan 0.000 0.484 419 E N -0.233 119.869 120.200 -0.163 0.000 2.147 419 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 419 E C 1.808 178.231 176.600 -0.294 0.000 1.005 419 E CA 1.960 58.222 56.400 -0.231 0.000 0.810 419 E CB -0.290 29.294 29.700 -0.193 0.000 0.736 419 E HN 0.346 nan 8.360 nan 0.000 0.460 420 Y N -0.571 119.582 120.300 -0.244 0.000 2.384 420 Y HA -0.077 4.473 4.550 -0.000 0.000 0.289 420 Y C 2.148 177.896 175.900 -0.255 0.000 1.152 420 Y CA 1.317 59.315 58.100 -0.169 0.000 1.258 420 Y CB -0.225 38.177 38.460 -0.097 0.000 0.979 420 Y HN 0.095 nan 8.280 nan 0.000 0.549 421 G N -2.102 106.585 108.800 -0.188 0.000 3.519 421 G HA2 0.061 4.021 3.960 -0.000 0.000 0.269 421 G HA3 0.061 4.021 3.960 -0.000 0.000 0.269 421 G C 1.144 175.862 174.900 -0.304 0.000 1.028 421 G CA 0.431 45.417 45.100 -0.189 0.000 0.809 421 G HN 0.337 nan 8.290 nan 0.000 0.521 422 S N -0.268 115.122 115.700 -0.517 0.000 2.558 422 S HA -0.012 4.458 4.470 -0.000 0.000 0.217 422 S C 1.837 176.198 174.600 -0.398 0.000 0.975 422 S CA 0.105 58.050 58.200 -0.426 0.000 0.912 422 S CB -0.445 62.497 63.200 -0.431 0.000 0.776 422 S HN 0.416 nan 8.310 nan 0.000 0.526 423 H N 3.317 122.297 119.070 -0.150 0.000 2.289 423 H HA -0.107 4.448 4.556 -0.000 0.000 0.296 423 H C 1.688 176.907 175.328 -0.181 0.000 1.091 423 H CA 1.876 57.832 56.048 -0.153 0.000 1.274 423 H CB -0.893 28.801 29.762 -0.114 0.000 1.364 423 H HN 0.715 nan 8.280 nan 0.000 0.490 424 D N 0.845 121.224 120.400 -0.036 0.000 2.363 424 D HA -0.057 4.583 4.640 -0.000 0.000 0.226 424 D C 0.703 176.911 176.300 -0.152 0.000 1.020 424 D CA 0.476 54.435 54.000 -0.067 0.000 0.892 424 D CB -0.252 40.557 40.800 0.016 0.000 0.900 424 D HN 0.288 nan 8.370 nan 0.000 0.531 425 K N -0.571 119.700 120.400 -0.216 0.000 2.646 425 K HA 0.196 4.516 4.320 -0.000 0.000 0.206 425 K C -0.605 175.814 176.600 -0.303 0.000 1.069 425 K CA -0.203 56.010 56.287 -0.124 0.000 1.067 425 K CB 1.212 33.743 32.500 0.052 0.000 0.807 425 K HN -0.068 nan 8.250 nan 0.000 0.482 426 T N 1.042 115.197 114.554 -0.664 0.000 2.809 426 T HA 0.534 4.884 4.350 -0.000 0.000 0.284 426 T C -0.898 173.442 174.700 -0.600 0.000 0.992 426 T CA -0.426 61.438 62.100 -0.393 0.000 0.957 426 T CB 0.523 69.275 68.868 -0.193 0.000 0.942 426 T HN -0.055 nan 8.240 nan 0.000 0.439 427 F N 1.090 121.207 119.950 0.278 0.000 2.588 427 F HA 0.503 5.030 4.527 -0.000 0.000 0.310 427 F C 0.211 176.134 175.800 0.205 0.000 1.082 427 F CA -1.304 56.820 58.000 0.208 0.000 0.929 427 F CB 1.990 41.093 39.000 0.172 0.000 1.254 427 F HN 0.345 nan 8.300 nan 0.000 0.455 428 Q N 3.035 123.028 119.800 0.321 0.000 2.337 428 Q HA 0.358 4.698 4.340 -0.000 0.000 0.255 428 Q C -0.444 175.675 176.000 0.198 0.000 0.997 428 Q CA -0.639 55.301 55.803 0.228 0.000 0.925 428 Q CB 0.534 29.368 28.738 0.160 0.000 1.212 428 Q HN 0.464 nan 8.270 nan 0.000 0.436 429 I N 7.299 127.978 120.570 0.181 0.000 2.821 429 I HA -0.095 4.075 4.170 -0.000 0.000 0.294 429 I C -1.750 174.407 176.117 0.067 0.000 1.210 429 I CA -1.171 60.193 61.300 0.107 0.000 1.430 429 I CB 0.312 38.368 38.000 0.093 0.000 1.356 429 I HN 0.685 nan 8.210 nan 0.000 0.563 430 P HA 0.080 nan 4.420 nan 0.000 0.219 430 P C -0.054 177.253 177.300 0.011 0.000 1.154 430 P CA 0.785 63.898 63.100 0.021 0.000 0.826 430 P CB 0.553 32.254 31.700 0.001 0.000 0.795 431 A N -1.183 121.637 122.820 -0.001 0.000 2.606 431 A HA 0.490 4.810 4.320 -0.000 0.000 0.293 431 A C -1.421 176.159 177.584 -0.006 0.000 1.082 431 A CA -0.574 51.461 52.037 -0.003 0.000 0.685 431 A CB 0.422 19.415 19.000 -0.012 0.000 1.284 431 A HN -0.196 nan 8.150 nan 0.000 0.408 432 D N -0.113 120.287 120.400 -0.001 0.000 2.423 432 D HA 0.499 5.139 4.640 -0.000 0.000 0.238 432 D C 0.847 177.139 176.300 -0.013 0.000 1.142 432 D CA 2.172 56.172 54.000 0.000 0.000 0.884 432 D CB 0.952 41.755 40.800 0.005 0.000 1.199 432 D HN 1.170 nan 8.370 nan 0.000 0.438 433 G N -0.853 107.939 108.800 -0.013 0.000 2.403 433 G HA2 0.351 4.310 3.960 -0.000 0.000 0.223 433 G HA3 0.351 4.310 3.960 -0.000 0.000 0.223 433 G C -1.457 173.425 174.900 -0.029 0.000 1.287 433 G CA -0.210 44.875 45.100 -0.026 0.000 0.982 433 G HN 0.925 nan 8.290 nan 0.000 0.471 434 V N -2.071 117.812 119.914 -0.052 0.000 2.709 434 V HA 0.839 4.959 4.120 -0.000 0.000 0.308 434 V C -0.305 175.713 176.094 -0.128 0.000 1.062 434 V CA -1.045 61.220 62.300 -0.057 0.000 0.901 434 V CB 1.505 33.310 31.823 -0.030 0.000 1.003 434 V HN 1.069 nan 8.190 nan 0.000 0.425 435 V N 5.294 125.094 119.914 -0.190 0.000 2.406 435 V HA 0.544 4.664 4.120 -0.000 0.000 0.272 435 V C 0.431 176.383 176.094 -0.237 0.000 1.043 435 V CA -0.280 61.785 62.300 -0.391 0.000 0.915 435 V CB 0.982 32.241 31.823 -0.939 0.000 0.988 435 V HN 0.957 nan 8.190 nan 0.000 0.466 436 R N 3.390 123.767 120.500 -0.205 0.000 2.514 436 R HA 0.736 5.076 4.340 -0.000 0.000 0.301 436 R C -1.379 174.880 176.300 -0.070 0.000 0.962 436 R CA -0.710 55.337 56.100 -0.089 0.000 0.882 436 R CB 2.325 32.587 30.300 -0.064 0.000 1.143 436 R HN 0.495 nan 8.270 nan 0.000 0.452 437 V N 2.653 122.581 119.914 0.023 0.000 2.350 437 V HA 0.354 4.474 4.120 -0.000 0.000 0.285 437 V C -0.120 176.004 176.094 0.049 0.000 1.014 437 V CA -0.638 61.701 62.300 0.065 0.000 0.831 437 V CB 1.426 33.351 31.823 0.169 0.000 1.000 437 V HN 0.958 nan 8.190 nan 0.000 0.433 438 T N 0.167 114.738 114.554 0.029 0.000 2.893 438 T HA 0.669 5.019 4.350 -0.000 0.000 0.291 438 T C -0.594 174.122 174.700 0.027 0.000 1.028 438 T CA -0.911 61.203 62.100 0.024 0.000 0.995 438 T CB 2.159 71.032 68.868 0.008 0.000 1.051 438 T HN 0.622 nan 8.240 nan 0.000 0.470 439 D N 0.717 121.133 120.400 0.027 0.000 2.447 439 D HA 0.178 4.818 4.640 -0.000 0.000 0.265 439 D C 0.965 177.276 176.300 0.018 0.000 1.250 439 D CA -0.749 53.266 54.000 0.026 0.000 1.046 439 D CB 0.369 41.185 40.800 0.026 0.000 1.095 439 D HN 0.678 nan 8.370 nan 0.000 0.555 440 E N -1.104 119.107 120.200 0.018 0.000 2.265 440 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 440 E C 1.565 178.171 176.600 0.010 0.000 0.996 440 E CA 1.199 57.607 56.400 0.013 0.000 0.832 440 E CB -0.080 29.628 29.700 0.014 0.000 0.756 440 E HN 0.541 nan 8.360 nan 0.000 0.491 441 S N -1.110 114.596 115.700 0.011 0.000 2.558 441 S HA 0.158 4.628 4.470 -0.000 0.000 0.217 441 S C 1.598 176.202 174.600 0.007 0.000 0.975 441 S CA 0.309 58.514 58.200 0.009 0.000 0.912 441 S CB 0.615 63.821 63.200 0.010 0.000 0.776 441 S HN 0.342 nan 8.310 nan 0.000 0.526 442 G N 1.293 110.098 108.800 0.007 0.000 2.175 442 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 442 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 442 G C -0.063 174.841 174.900 0.006 0.000 0.982 442 G CA 0.140 45.242 45.100 0.004 0.000 0.641 442 G HN 0.732 nan 8.290 nan 0.000 0.527 443 K N 0.352 120.759 120.400 0.011 0.000 2.350 443 K HA 0.506 4.826 4.320 -0.000 0.000 0.279 443 K C 0.037 176.647 176.600 0.017 0.000 1.027 443 K CA -0.772 55.523 56.287 0.013 0.000 0.969 443 K CB 0.457 32.966 32.500 0.015 0.000 0.954 443 K HN 0.201 nan 8.250 nan 0.000 0.474 444 L N 5.741 126.974 121.223 0.017 0.000 2.260 444 L HA 0.156 4.495 4.340 -0.000 0.000 0.289 444 L C -0.123 176.766 176.870 0.032 0.000 1.057 444 L CA 0.113 54.967 54.840 0.022 0.000 0.811 444 L CB 0.960 43.029 42.059 0.017 0.000 1.184 444 L HN 0.794 nan 8.230 nan 0.000 0.429 445 L N 5.504 126.753 121.223 0.044 0.000 2.362 445 L HA 0.319 4.658 4.340 -0.000 0.000 0.204 445 L C -0.229 176.682 176.870 0.068 0.000 1.060 445 L CA 0.588 55.460 54.840 0.053 0.000 0.827 445 L CB -0.274 41.820 42.059 0.058 0.000 1.027 445 L HN 0.388 nan 8.230 nan 0.000 0.474 446 L N -0.717 120.561 121.223 0.092 0.000 2.410 446 L HA 0.531 4.870 4.340 -0.000 0.000 0.270 446 L C -0.604 176.341 176.870 0.125 0.000 0.983 446 L CA -0.279 54.636 54.840 0.126 0.000 0.822 446 L CB 1.915 44.089 42.059 0.191 0.000 1.285 446 L HN -0.025 nan 8.230 nan 0.000 0.409 447 E N 2.197 122.468 120.200 0.117 0.000 2.263 447 E HA 0.577 4.927 4.350 -0.000 0.000 0.268 447 E C -1.687 174.986 176.600 0.122 0.000 0.884 447 E CA -0.670 55.785 56.400 0.092 0.000 0.766 447 E CB 2.065 31.795 29.700 0.049 0.000 1.196 447 E HN 0.516 nan 8.360 nan 0.000 0.416 448 Q N 2.043 121.927 119.800 0.140 0.000 2.285 448 Q HA 0.370 4.710 4.340 -0.000 0.000 0.269 448 Q C -1.606 174.460 176.000 0.109 0.000 1.030 448 Q CA -0.514 55.392 55.803 0.172 0.000 0.788 448 Q CB 2.082 31.032 28.738 0.354 0.000 1.266 448 Q HN 0.393 nan 8.270 nan 0.000 0.438 449 S N 1.985 117.736 115.700 0.085 0.000 2.549 449 S HA 0.585 5.054 4.470 -0.000 0.000 0.279 449 S C -0.305 174.341 174.600 0.077 0.000 1.321 449 S CA -0.131 58.102 58.200 0.055 0.000 1.054 449 S CB 0.412 63.638 63.200 0.043 0.000 0.899 449 S HN 0.651 nan 8.310 nan 0.000 0.497 450 V N 0.793 120.739 119.914 0.054 0.000 3.159 450 V HA 0.722 4.841 4.120 -0.000 0.000 0.308 450 V C -0.976 175.145 176.094 0.045 0.000 1.190 450 V CA -1.031 61.312 62.300 0.072 0.000 1.037 450 V CB 1.976 33.853 31.823 0.090 0.000 1.060 450 V HN 0.796 nan 8.190 nan 0.000 0.437 451 E N 1.141 121.373 120.200 0.053 0.000 2.277 451 E HA 0.735 5.085 4.350 -0.000 0.000 0.266 451 E C -0.308 176.319 176.600 0.045 0.000 0.901 451 E CA -0.946 55.478 56.400 0.040 0.000 0.782 451 E CB 2.263 31.984 29.700 0.036 0.000 1.228 451 E HN 1.237 nan 8.360 nan 0.000 0.424 452 A N 0.912 123.753 122.820 0.035 0.000 2.567 452 A HA 0.361 4.681 4.320 -0.000 0.000 0.240 452 A C 1.216 178.830 177.584 0.049 0.000 1.053 452 A CA 1.146 53.206 52.037 0.039 0.000 0.755 452 A CB -0.678 18.339 19.000 0.028 0.000 0.978 452 A HN 0.892 nan 8.150 nan 0.000 0.507 453 G N 2.112 110.950 108.800 0.062 0.000 2.217 453 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.246 453 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.246 453 G C 0.052 175.001 174.900 0.083 0.000 0.990 453 G CA 0.399 45.540 45.100 0.068 0.000 0.627 453 G HN 0.839 nan 8.290 nan 0.000 0.522 454 D N 0.084 120.538 120.400 0.091 0.000 2.363 454 D HA 0.506 5.145 4.640 -0.000 0.000 0.240 454 D C 0.914 177.311 176.300 0.161 0.000 1.236 454 D CA 0.177 54.238 54.000 0.103 0.000 0.927 454 D CB 0.613 41.478 40.800 0.110 0.000 1.150 454 D HN 0.304 nan 8.370 nan 0.000 0.458 455 I N 1.184 121.855 120.570 0.168 0.000 2.405 455 I HA 0.225 4.394 4.170 -0.000 0.000 0.280 455 I C -0.766 175.588 176.117 0.395 0.000 1.027 455 I CA -0.814 60.649 61.300 0.272 0.000 1.161 455 I CB 0.940 39.109 38.000 0.282 0.000 1.300 455 I HN 0.249 nan 8.210 nan 0.000 0.463 456 W N 8.570 130.017 121.300 0.245 0.000 2.438 456 W HA 0.618 5.277 4.660 -0.000 0.000 0.324 456 W C -0.223 176.438 176.519 0.238 0.000 1.119 456 W CA -0.456 57.042 57.345 0.255 0.000 1.221 456 W CB 0.964 30.556 29.460 0.220 0.000 1.253 456 W HN 0.446 nan 8.180 nan 0.000 0.555 457 R N 5.744 125.879 120.500 -0.609 0.000 2.668 457 R HA 0.694 5.034 4.340 -0.000 0.000 0.272 457 R C -1.918 173.731 176.300 -1.084 0.000 1.019 457 R CA -1.112 54.598 56.100 -0.650 0.000 0.894 457 R CB 1.936 31.977 30.300 -0.432 0.000 1.228 457 R HN 0.701 nan 8.270 nan 0.000 0.460 458 M N 2.810 121.978 119.600 -0.719 0.000 2.326 458 M HA 0.525 5.005 4.480 -0.000 0.000 0.306 458 M C -1.598 174.533 176.300 -0.283 0.000 1.054 458 M CA -0.410 54.600 55.300 -0.484 0.000 0.922 458 M CB 1.929 34.410 32.600 -0.197 0.000 1.632 458 M HN 0.878 nan 8.290 nan 0.000 0.436 459 C N 2.538 121.690 119.300 -0.245 0.000 2.486 459 C HA 0.688 5.148 4.460 -0.000 0.000 0.348 459 C C -0.683 174.237 174.990 -0.116 0.000 1.203 459 C CA -0.564 58.325 59.018 -0.216 0.000 1.911 459 C CB 2.095 29.655 27.740 -0.300 0.000 2.340 459 C HN 0.805 nan 8.230 nan 0.000 0.511 460 Q N 0.483 120.228 119.800 -0.091 0.000 2.347 460 Q HA 0.668 5.008 4.340 -0.000 0.000 0.271 460 Q C -1.136 174.860 176.000 -0.007 0.000 1.064 460 Q CA -0.262 55.527 55.803 -0.024 0.000 0.800 460 Q CB 2.210 30.939 28.738 -0.015 0.000 1.304 460 Q HN 0.870 nan 8.270 nan 0.000 0.438 461 A N 2.814 125.663 122.820 0.049 0.000 2.410 461 A HA 0.474 4.794 4.320 -0.000 0.000 0.289 461 A C -0.978 176.634 177.584 0.047 0.000 1.200 461 A CA -0.708 51.363 52.037 0.057 0.000 0.751 461 A CB 0.691 19.790 19.000 0.165 0.000 1.161 461 A HN 0.599 nan 8.150 nan 0.000 0.459 462 K N 1.141 121.556 120.400 0.025 0.000 2.154 462 K HA 0.128 4.448 4.320 -0.000 0.000 0.264 462 K C 0.462 177.094 176.600 0.053 0.000 1.008 462 K CA -0.544 55.764 56.287 0.034 0.000 0.937 462 K CB 1.356 33.867 32.500 0.018 0.000 1.002 462 K HN 0.808 nan 8.250 nan 0.000 0.469 463 D N 1.970 122.411 120.400 0.068 0.000 2.117 463 D HA -0.161 4.478 4.640 -0.000 0.000 0.198 463 D C 1.511 177.838 176.300 0.046 0.000 0.982 463 D CA 1.271 55.330 54.000 0.098 0.000 0.828 463 D CB 0.324 41.194 40.800 0.116 0.000 0.967 463 D HN 0.625 nan 8.370 nan 0.000 0.464 464 A N 1.572 124.403 122.820 0.018 0.000 1.865 464 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 464 A C -0.237 177.353 177.584 0.009 0.000 1.191 464 A CA 1.706 53.738 52.037 -0.008 0.000 0.623 464 A CB -1.681 17.317 19.000 -0.004 0.000 0.826 464 A HN 0.270 nan 8.150 nan 0.000 0.444 465 P HA -0.167 nan 4.420 nan 0.000 0.216 465 P C 1.383 178.747 177.300 0.106 0.000 1.153 465 P CA 1.165 64.285 63.100 0.032 0.000 0.858 465 P CB -0.141 31.553 31.700 -0.010 0.000 0.789 466 I N -0.998 119.652 120.570 0.134 0.000 2.226 466 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 466 I C 2.517 178.823 176.117 0.316 0.000 1.100 466 I CA 1.548 63.033 61.300 0.308 0.000 1.374 466 I CB -0.697 37.489 38.000 0.309 0.000 1.057 466 I HN 0.023 nan 8.210 nan 0.000 0.413 467 Q N 0.163 119.993 119.800 0.050 0.000 2.084 467 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 467 Q C 1.969 177.996 176.000 0.045 0.000 0.978 467 Q CA 1.781 57.496 55.803 -0.146 0.000 0.844 467 Q CB -0.266 28.210 28.738 -0.436 0.000 0.898 467 Q HN 0.512 nan 8.270 nan 0.000 0.426 468 D N -0.118 120.327 120.400 0.075 0.000 2.144 468 D HA -0.177 4.462 4.640 -0.000 0.000 0.199 468 D C 1.626 178.015 176.300 0.148 0.000 0.984 468 D CA 0.860 54.916 54.000 0.093 0.000 0.834 468 D CB -0.093 40.748 40.800 0.068 0.000 0.955 468 D HN 0.306 nan 8.370 nan 0.000 0.465 469 W N 1.433 122.732 121.300 -0.001 0.000 2.358 469 W HA -0.162 4.498 4.660 -0.000 0.000 0.303 469 W C 2.095 178.632 176.519 0.029 0.000 1.208 469 W CA 1.145 58.492 57.345 0.005 0.000 1.274 469 W CB -0.629 28.850 29.460 0.032 0.000 1.138 469 W HN -0.180 nan 8.180 nan 0.000 0.515 470 V N 1.360 121.265 119.914 -0.015 0.000 2.358 470 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 470 V C 2.487 178.384 176.094 -0.329 0.000 1.047 470 V CA 2.353 64.542 62.300 -0.186 0.000 1.035 470 V CB -1.038 30.789 31.823 0.007 0.000 0.658 470 V HN 0.202 nan 8.190 nan 0.000 0.452 471 K N -0.137 120.121 120.400 -0.236 0.000 2.057 471 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 471 K C 2.145 178.616 176.600 -0.214 0.000 1.049 471 K CA 1.650 57.755 56.287 -0.303 0.000 0.931 471 K CB -0.237 32.305 32.500 0.070 0.000 0.714 471 K HN 0.335 nan 8.250 nan 0.000 0.440 472 L N 0.909 122.056 121.223 -0.126 0.000 2.093 472 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 472 L C 2.128 178.894 176.870 -0.172 0.000 1.085 472 L CA 1.938 56.717 54.840 -0.101 0.000 0.755 472 L CB -0.681 41.357 42.059 -0.034 0.000 0.904 472 L HN 0.230 nan 8.230 nan 0.000 0.435 473 A N -1.158 121.495 122.820 -0.279 0.000 1.877 473 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 473 A C 2.238 179.678 177.584 -0.240 0.000 1.186 473 A CA 2.028 53.861 52.037 -0.340 0.000 0.620 473 A CB -1.048 17.626 19.000 -0.543 0.000 0.822 473 A HN 0.284 nan 8.150 nan 0.000 0.443 474 V N 1.418 121.177 119.914 -0.258 0.000 2.358 474 V HA -0.247 3.872 4.120 -0.000 0.000 0.246 474 V C 2.561 178.577 176.094 -0.131 0.000 1.047 474 V CA 1.999 64.175 62.300 -0.206 0.000 1.035 474 V CB -1.053 30.564 31.823 -0.343 0.000 0.658 474 V HN 0.776 nan 8.190 nan 0.000 0.452 475 N N 0.830 119.454 118.700 -0.128 0.000 2.036 475 N HA -0.245 4.495 4.740 -0.000 0.000 0.195 475 N C 2.010 177.486 175.510 -0.057 0.000 1.037 475 N CA 1.739 54.751 53.050 -0.065 0.000 0.855 475 N CB -0.177 38.282 38.487 -0.047 0.000 1.033 475 N HN 0.260 nan 8.380 nan 0.000 0.423 476 R N 0.838 121.292 120.500 -0.077 0.000 2.096 476 R HA 0.027 4.367 4.340 -0.000 0.000 0.235 476 R C 2.241 178.502 176.300 -0.064 0.000 1.127 476 R CA 1.106 57.165 56.100 -0.068 0.000 0.968 476 R CB -1.346 28.901 30.300 -0.088 0.000 0.861 476 R HN 0.399 nan 8.270 nan 0.000 0.440 477 A N 1.156 123.931 122.820 -0.076 0.000 1.883 477 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 477 A C 2.305 179.869 177.584 -0.033 0.000 1.186 477 A CA 1.769 53.773 52.037 -0.055 0.000 0.624 477 A CB -0.444 18.523 19.000 -0.054 0.000 0.822 477 A HN 0.292 nan 8.150 nan 0.000 0.444 478 R N -0.558 119.924 120.500 -0.030 0.000 2.090 478 R HA 0.053 4.393 4.340 -0.000 0.000 0.228 478 R C 2.171 178.464 176.300 -0.013 0.000 1.110 478 R CA 1.263 57.354 56.100 -0.014 0.000 0.973 478 R CB -0.388 29.908 30.300 -0.006 0.000 0.869 478 R HN 0.396 nan 8.270 nan 0.000 0.440 479 A N -0.105 122.705 122.820 -0.017 0.000 2.019 479 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 479 A C 1.895 179.470 177.584 -0.014 0.000 1.164 479 A CA 1.820 53.849 52.037 -0.012 0.000 0.644 479 A CB -0.401 18.592 19.000 -0.013 0.000 0.805 479 A HN 0.607 nan 8.150 nan 0.000 0.449 480 T N -5.496 109.045 114.554 -0.021 0.000 3.003 480 T HA 0.181 4.531 4.350 -0.000 0.000 0.261 480 T C 0.525 175.213 174.700 -0.020 0.000 1.003 480 T CA 0.589 62.676 62.100 -0.022 0.000 0.917 480 T CB -0.247 68.602 68.868 -0.032 0.000 1.084 480 T HN 0.465 nan 8.240 nan 0.000 0.522 481 N N 1.036 119.726 118.700 -0.017 0.000 2.740 481 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 481 N C -1.090 174.412 175.510 -0.012 0.000 1.062 481 N CA 1.109 54.153 53.050 -0.011 0.000 0.704 481 N CB -1.672 36.811 38.487 -0.007 0.000 0.968 481 N HN 0.588 nan 8.380 nan 0.000 0.547 482 T N 0.940 115.482 114.554 -0.019 0.000 2.856 482 T HA 0.541 4.891 4.350 -0.000 0.000 0.283 482 T C -2.563 172.133 174.700 -0.007 0.000 1.008 482 T CA -1.154 60.934 62.100 -0.021 0.000 0.997 482 T CB 1.950 70.793 68.868 -0.042 0.000 0.992 482 T HN -0.039 nan 8.240 nan 0.000 0.454 483 P HA 0.387 nan 4.420 nan 0.000 0.268 483 P C -1.352 175.980 177.300 0.054 0.000 1.205 483 P CA -0.240 62.897 63.100 0.062 0.000 0.771 483 P CB 0.426 32.203 31.700 0.129 0.000 0.858 484 A N 2.852 125.707 122.820 0.058 0.000 2.342 484 A HA 0.650 4.970 4.320 -0.000 0.000 0.323 484 A C -0.989 176.654 177.584 0.099 0.000 1.125 484 A CA -0.567 51.481 52.037 0.017 0.000 0.785 484 A CB 1.081 20.034 19.000 -0.078 0.000 1.221 484 A HN 0.330 nan 8.150 nan 0.000 0.463 485 V N 2.203 122.190 119.914 0.123 0.000 2.531 485 V HA 0.412 4.531 4.120 -0.000 0.000 0.301 485 V C -1.170 175.093 176.094 0.282 0.000 1.034 485 V CA -0.353 62.094 62.300 0.246 0.000 0.865 485 V CB 1.317 33.332 31.823 0.320 0.000 0.995 485 V HN 0.738 nan 8.190 nan 0.000 0.424 486 F N 3.249 123.323 119.950 0.206 0.000 2.424 486 F HA 0.405 4.932 4.527 -0.000 0.000 0.356 486 F C -0.160 175.880 175.800 0.399 0.000 1.110 486 F CA -0.361 57.799 58.000 0.266 0.000 1.161 486 F CB 0.940 40.001 39.000 0.102 0.000 1.115 486 F HN 0.483 nan 8.300 nan 0.000 0.507 487 W N 6.697 128.158 121.300 0.269 0.000 2.422 487 W HA 0.576 5.236 4.660 -0.000 0.000 0.349 487 W C -0.961 175.713 176.519 0.259 0.000 1.062 487 W CA -0.791 56.691 57.345 0.228 0.000 1.497 487 W CB -0.024 29.549 29.460 0.188 0.000 1.407 487 W HN 0.200 nan 8.180 nan 0.000 0.393 488 L N 2.987 124.435 121.223 0.375 0.000 2.464 488 L HA 0.275 4.615 4.340 -0.000 0.000 0.266 488 L C -0.556 176.424 176.870 0.184 0.000 0.965 488 L CA -0.890 54.123 54.840 0.288 0.000 0.833 488 L CB 2.302 44.522 42.059 0.268 0.000 1.296 488 L HN -0.045 nan 8.230 nan 0.000 0.405 489 D N 4.221 124.724 120.400 0.172 0.000 2.359 489 D HA 0.292 4.932 4.640 -0.000 0.000 0.230 489 D C -1.862 174.485 176.300 0.078 0.000 1.118 489 D CA -2.050 52.027 54.000 0.128 0.000 0.844 489 D CB 2.076 42.981 40.800 0.177 0.000 1.059 489 D HN 0.136 nan 8.370 nan 0.000 0.493 490 P HA -0.100 nan 4.420 nan 0.000 0.219 490 P C 0.876 178.177 177.300 0.002 0.000 1.146 490 P CA 1.066 64.178 63.100 0.020 0.000 0.808 490 P CB 0.258 31.965 31.700 0.012 0.000 0.779 491 A N -0.795 122.031 122.820 0.011 0.000 2.067 491 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 491 A C 1.275 178.782 177.584 -0.129 0.000 1.158 491 A CA 0.762 52.779 52.037 -0.033 0.000 0.661 491 A CB -0.672 18.342 19.000 0.024 0.000 0.801 491 A HN 0.142 nan 8.150 nan 0.000 0.452 492 R N -0.725 119.713 120.500 -0.103 0.000 2.308 492 R HA 0.458 4.798 4.340 -0.000 0.000 0.305 492 R C 1.267 177.534 176.300 -0.056 0.000 1.053 492 R CA 0.189 56.206 56.100 -0.139 0.000 0.957 492 R CB 0.994 31.261 30.300 -0.054 0.000 1.022 492 R HN 0.258 nan 8.270 nan 0.000 0.461 493 A N 2.484 125.270 122.820 -0.056 0.000 1.883 493 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 493 A C 1.954 179.546 177.584 0.013 0.000 1.186 493 A CA 1.894 53.920 52.037 -0.019 0.000 0.624 493 A CB -0.611 18.382 19.000 -0.012 0.000 0.822 493 A HN 0.927 nan 8.150 nan 0.000 0.444 494 H N 0.111 119.157 119.070 -0.040 0.000 2.270 494 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 494 H C 1.596 176.930 175.328 0.009 0.000 1.077 494 H CA 2.230 58.266 56.048 -0.020 0.000 1.294 494 H CB -0.333 29.411 29.762 -0.029 0.000 1.371 494 H HN 0.420 nan 8.280 nan 0.000 0.491 495 D N 0.097 120.493 120.400 -0.006 0.000 2.149 495 D HA -0.155 4.484 4.640 -0.000 0.000 0.198 495 D C 2.209 178.483 176.300 -0.043 0.000 0.990 495 D CA 1.481 55.476 54.000 -0.009 0.000 0.839 495 D CB -0.616 40.249 40.800 0.109 0.000 0.948 495 D HN 0.581 nan 8.370 nan 0.000 0.460 496 A N 0.491 123.288 122.820 -0.039 0.000 1.902 496 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 496 A C 2.084 179.631 177.584 -0.063 0.000 1.181 496 A CA 1.269 53.283 52.037 -0.038 0.000 0.623 496 A CB -0.390 18.590 19.000 -0.032 0.000 0.818 496 A HN 0.091 nan 8.150 nan 0.000 0.443 497 Q N -0.332 119.409 119.800 -0.098 0.000 2.084 497 Q HA -0.096 4.243 4.340 -0.000 0.000 0.202 497 Q C 2.326 178.264 176.000 -0.103 0.000 0.978 497 Q CA 1.625 57.367 55.803 -0.101 0.000 0.844 497 Q CB -0.701 27.968 28.738 -0.116 0.000 0.898 497 Q HN 0.503 nan 8.270 nan 0.000 0.426 498 V N 1.113 120.938 119.914 -0.148 0.000 2.515 498 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 498 V C 2.288 178.400 176.094 0.030 0.000 1.058 498 V CA 1.159 63.437 62.300 -0.037 0.000 1.064 498 V CB -0.503 31.299 31.823 -0.035 0.000 0.675 498 V HN 0.266 nan 8.190 nan 0.000 0.461 499 I N 0.550 121.116 120.570 -0.008 0.000 2.286 499 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 499 I C 2.650 178.715 176.117 -0.086 0.000 1.115 499 I CA 1.342 62.621 61.300 -0.036 0.000 1.392 499 I CB -0.548 37.436 38.000 -0.027 0.000 1.065 499 I HN 0.297 nan 8.210 nan 0.000 0.418 500 A N 1.071 123.841 122.820 -0.084 0.000 1.877 500 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 500 A C 2.336 179.813 177.584 -0.179 0.000 1.186 500 A CA 1.591 53.559 52.037 -0.114 0.000 0.620 500 A CB -0.406 18.537 19.000 -0.095 0.000 0.822 500 A HN 0.302 nan 8.150 nan 0.000 0.443 501 K N -0.445 119.858 120.400 -0.162 0.000 2.057 501 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 501 K C 1.914 178.356 176.600 -0.264 0.000 1.050 501 K CA 1.347 57.460 56.287 -0.290 0.000 0.935 501 K CB -0.398 32.105 32.500 0.006 0.000 0.715 501 K HN 0.294 nan 8.250 nan 0.000 0.439 502 V N 2.085 121.943 119.914 -0.093 0.000 2.255 502 V HA -0.267 3.852 4.120 -0.000 0.000 0.247 502 V C 2.005 177.957 176.094 -0.237 0.000 1.051 502 V CA 1.883 64.077 62.300 -0.175 0.000 1.018 502 V CB -0.476 31.102 31.823 -0.408 0.000 0.641 502 V HN 0.351 nan 8.190 nan 0.000 0.445 503 E N -0.027 120.033 120.200 -0.233 0.000 2.118 503 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 503 E C 2.330 178.840 176.600 -0.151 0.000 0.992 503 E CA 1.517 57.805 56.400 -0.186 0.000 0.804 503 E CB -0.223 29.386 29.700 -0.152 0.000 0.741 503 E HN 0.484 nan 8.360 nan 0.000 0.458 504 R N 0.818 121.186 120.500 -0.220 0.000 2.062 504 R HA -0.130 4.210 4.340 -0.000 0.000 0.229 504 R C 1.748 177.973 176.300 -0.125 0.000 1.128 504 R CA 1.648 57.602 56.100 -0.242 0.000 0.960 504 R CB -1.051 28.992 30.300 -0.428 0.000 0.855 504 R HN 0.298 nan 8.270 nan 0.000 0.432 505 Y N 0.427 120.742 120.300 0.025 0.000 2.439 505 Y HA 0.017 4.567 4.550 -0.000 0.000 0.292 505 Y C 1.943 177.967 175.900 0.206 0.000 1.130 505 Y CA 0.312 58.475 58.100 0.105 0.000 1.254 505 Y CB 0.005 38.548 38.460 0.139 0.000 1.000 505 Y HN -0.014 nan 8.280 nan 0.000 0.554 506 L N 0.106 121.458 121.223 0.216 0.000 2.362 506 L HA -0.187 4.152 4.340 -0.000 0.000 0.219 506 L C 1.941 178.938 176.870 0.212 0.000 1.134 506 L CA 1.174 56.129 54.840 0.192 0.000 0.807 506 L CB -0.296 41.755 42.059 -0.012 0.000 0.927 506 L HN 0.218 nan 8.230 nan 0.000 0.447 507 K N -0.309 120.169 120.400 0.129 0.000 2.288 507 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 507 K C 1.095 177.725 176.600 0.050 0.000 1.048 507 K CA 0.779 57.107 56.287 0.068 0.000 0.956 507 K CB -0.022 32.491 32.500 0.022 0.000 0.746 507 K HN 0.298 nan 8.250 nan 0.000 0.461 508 D N -0.108 120.314 120.400 0.036 0.000 2.371 508 D HA -0.052 4.588 4.640 -0.000 0.000 0.221 508 D C -0.021 176.033 176.300 -0.409 0.000 0.986 508 D CA 0.984 54.859 54.000 -0.208 0.000 0.899 508 D CB 0.111 40.710 40.800 -0.334 0.000 0.902 508 D HN 0.139 nan 8.370 nan 0.000 0.530 509 Y N -0.158 120.156 120.300 0.022 0.000 2.598 509 Y HA 0.293 4.843 4.550 -0.000 0.000 0.340 509 Y C 0.098 176.003 175.900 0.008 0.000 1.038 509 Y CA -1.586 56.522 58.100 0.013 0.000 1.100 509 Y CB 0.977 39.446 38.460 0.014 0.000 1.281 509 Y HN -0.369 nan 8.280 nan 0.000 0.488 510 D N 0.257 120.761 120.400 0.172 0.000 2.500 510 D HA 0.120 4.760 4.640 -0.000 0.000 0.219 510 D C 0.561 176.913 176.300 0.086 0.000 1.137 510 D CA -0.256 53.800 54.000 0.094 0.000 0.946 510 D CB 0.240 41.077 40.800 0.061 0.000 1.022 510 D HN 0.623 nan 8.370 nan 0.000 0.518 511 T N -0.127 114.473 114.554 0.078 0.000 3.284 511 T HA 0.032 4.382 4.350 -0.000 0.000 0.252 511 T C 0.966 175.686 174.700 0.033 0.000 1.144 511 T CA -0.561 61.569 62.100 0.050 0.000 1.021 511 T CB -0.197 68.696 68.868 0.042 0.000 0.984 511 T HN 0.185 nan 8.240 nan 0.000 0.545 512 S N 0.654 116.373 115.700 0.032 0.000 2.537 512 S HA 0.416 4.886 4.470 -0.000 0.000 0.286 512 S C 1.688 176.299 174.600 0.018 0.000 1.299 512 S CA 0.611 58.824 58.200 0.021 0.000 1.067 512 S CB -0.565 62.647 63.200 0.019 0.000 0.864 512 S HN 1.186 nan 8.310 nan 0.000 0.494 513 G N 3.264 112.072 108.800 0.014 0.000 2.179 513 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.260 513 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.260 513 G C -0.022 174.886 174.900 0.013 0.000 0.977 513 G CA 0.518 45.626 45.100 0.013 0.000 0.641 513 G HN 0.691 nan 8.290 nan 0.000 0.533 514 L N -0.060 121.173 121.223 0.016 0.000 2.332 514 L HA 0.660 5.000 4.340 -0.000 0.000 0.269 514 L C -0.394 176.489 176.870 0.022 0.000 1.016 514 L CA -0.972 53.878 54.840 0.017 0.000 0.809 514 L CB 1.533 43.601 42.059 0.015 0.000 1.280 514 L HN 0.039 nan 8.230 nan 0.000 0.447 515 D N 2.218 122.636 120.400 0.030 0.000 2.460 515 D HA 0.396 5.036 4.640 -0.000 0.000 0.268 515 D C -0.814 175.521 176.300 0.058 0.000 1.153 515 D CA -0.175 53.851 54.000 0.042 0.000 0.929 515 D CB 0.388 41.223 40.800 0.058 0.000 1.015 515 D HN 0.259 nan 8.370 nan 0.000 0.502 516 I N 3.502 124.105 120.570 0.056 0.000 2.377 516 I HA 0.479 4.649 4.170 -0.000 0.000 0.293 516 I C 0.454 176.621 176.117 0.083 0.000 0.987 516 I CA -0.771 60.587 61.300 0.098 0.000 1.185 516 I CB 1.444 39.509 38.000 0.109 0.000 1.341 516 I HN 0.193 nan 8.210 nan 0.000 0.455 517 R N 5.949 126.529 120.500 0.133 0.000 2.764 517 R HA 0.746 5.085 4.340 -0.000 0.000 0.270 517 R C -1.900 174.492 176.300 0.153 0.000 1.014 517 R CA -0.919 55.222 56.100 0.068 0.000 0.904 517 R CB 1.856 32.138 30.300 -0.030 0.000 1.236 517 R HN 0.468 nan 8.270 nan 0.000 0.466 518 I N 2.333 122.939 120.570 0.061 0.000 2.406 518 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 518 I C -0.687 175.452 176.117 0.037 0.000 0.999 518 I CA -0.961 60.401 61.300 0.102 0.000 1.124 518 I CB 1.744 39.750 38.000 0.010 0.000 1.289 518 I HN 0.372 nan 8.210 nan 0.000 0.441 519 L N 4.293 125.548 121.223 0.052 0.000 2.424 519 L HA 0.447 4.787 4.340 -0.000 0.000 0.258 519 L C 0.163 177.022 176.870 -0.018 0.000 0.995 519 L CA -0.778 54.040 54.840 -0.036 0.000 0.821 519 L CB 2.495 44.476 42.059 -0.129 0.000 1.383 519 L HN 0.654 nan 8.230 nan 0.000 0.410 520 S N 0.295 115.978 115.700 -0.028 0.000 2.584 520 S HA 0.214 4.684 4.470 -0.000 0.000 0.270 520 S C -2.056 172.504 174.600 -0.067 0.000 1.346 520 S CA -0.809 57.399 58.200 0.012 0.000 1.018 520 S CB 0.845 64.055 63.200 0.017 0.000 0.899 520 S HN 0.425 nan 8.310 nan 0.000 0.542 521 P HA -0.146 nan 4.420 nan 0.000 0.215 521 P C 1.629 178.812 177.300 -0.196 0.000 1.163 521 P CA 0.978 64.091 63.100 0.022 0.000 0.894 521 P CB -0.168 31.697 31.700 0.275 0.000 0.791 522 V N 0.173 120.043 119.914 -0.074 0.000 2.255 522 V HA -0.251 3.868 4.120 -0.000 0.000 0.247 522 V C 2.406 178.426 176.094 -0.123 0.000 1.051 522 V CA 1.977 64.234 62.300 -0.071 0.000 1.018 522 V CB -1.135 30.672 31.823 -0.026 0.000 0.641 522 V HN 0.130 nan 8.190 nan 0.000 0.445 523 E N 0.194 120.317 120.200 -0.128 0.000 2.106 523 E HA -0.135 4.214 4.350 -0.000 0.000 0.192 523 E C 2.342 178.833 176.600 -0.182 0.000 0.984 523 E CA 1.454 57.785 56.400 -0.116 0.000 0.806 523 E CB -0.626 29.016 29.700 -0.096 0.000 0.750 523 E HN 0.575 nan 8.360 nan 0.000 0.458 524 A N 0.769 123.343 122.820 -0.411 0.000 1.933 524 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 524 A C 2.413 179.634 177.584 -0.606 0.000 1.175 524 A CA 1.999 53.642 52.037 -0.657 0.000 0.628 524 A CB -0.779 17.270 19.000 -1.586 0.000 0.814 524 A HN 0.246 nan 8.150 nan 0.000 0.444 525 T N -0.297 113.883 114.554 -0.622 0.000 2.737 525 T HA -0.118 4.231 4.350 -0.000 0.000 0.265 525 T C 2.066 176.778 174.700 0.019 0.000 1.038 525 T CA 1.431 63.415 62.100 -0.194 0.000 1.144 525 T CB -0.234 68.605 68.868 -0.048 0.000 0.866 525 T HN 0.521 nan 8.240 nan 0.000 0.434 526 R N 0.071 120.575 120.500 0.008 0.000 2.091 526 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 526 R C 2.243 178.617 176.300 0.123 0.000 1.136 526 R CA 1.412 57.557 56.100 0.075 0.000 0.959 526 R CB -0.566 29.770 30.300 0.060 0.000 0.856 526 R HN 0.333 nan 8.270 nan 0.000 0.437 527 F N 1.604 121.522 119.950 -0.052 0.000 2.102 527 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 527 F C 2.190 177.988 175.800 -0.002 0.000 1.105 527 F CA 1.465 59.443 58.000 -0.036 0.000 1.239 527 F CB -0.370 38.589 39.000 -0.068 0.000 0.991 527 F HN -0.154 nan 8.300 nan 0.000 0.474 528 S N 0.928 116.565 115.700 -0.105 0.000 2.368 528 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 528 S C 2.185 176.736 174.600 -0.082 0.000 1.030 528 S CA 1.464 59.562 58.200 -0.170 0.000 0.999 528 S CB -0.576 62.677 63.200 0.088 0.000 0.844 528 S HN 0.385 nan 8.310 nan 0.000 0.459 529 L N 1.095 122.367 121.223 0.082 0.000 2.093 529 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 529 L C 2.802 179.713 176.870 0.067 0.000 1.085 529 L CA 1.051 55.993 54.840 0.170 0.000 0.755 529 L CB -0.722 41.494 42.059 0.262 0.000 0.904 529 L HN 0.320 nan 8.230 nan 0.000 0.435 530 A N 0.407 123.225 122.820 -0.004 0.000 1.877 530 A HA -0.219 4.100 4.320 -0.000 0.000 0.216 530 A C 2.393 179.916 177.584 -0.101 0.000 1.186 530 A CA 1.652 53.661 52.037 -0.048 0.000 0.620 530 A CB -0.446 18.548 19.000 -0.011 0.000 0.822 530 A HN 0.329 nan 8.150 nan 0.000 0.443 531 R N -1.021 119.357 120.500 -0.203 0.000 2.090 531 R HA 0.092 4.431 4.340 -0.000 0.000 0.228 531 R C 2.130 178.344 176.300 -0.143 0.000 1.110 531 R CA 1.236 57.202 56.100 -0.223 0.000 0.973 531 R CB -0.426 29.630 30.300 -0.407 0.000 0.869 531 R HN 0.612 nan 8.270 nan 0.000 0.440 532 I N 1.019 121.518 120.570 -0.119 0.000 2.286 532 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 532 I C 1.995 178.113 176.117 0.000 0.000 1.115 532 I CA 1.436 62.692 61.300 -0.074 0.000 1.392 532 I CB 0.063 38.023 38.000 -0.067 0.000 1.065 532 I HN 0.125 nan 8.210 nan 0.000 0.418 533 R N 0.266 120.791 120.500 0.042 0.000 2.148 533 R HA -0.102 4.237 4.340 -0.000 0.000 0.223 533 R C 1.608 177.904 176.300 -0.005 0.000 1.088 533 R CA 0.941 57.075 56.100 0.057 0.000 0.985 533 R CB -0.122 30.194 30.300 0.027 0.000 0.880 533 R HN 0.464 nan 8.270 nan 0.000 0.451 534 E N -0.382 119.796 120.200 -0.037 0.000 2.502 534 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 534 E C 0.667 177.245 176.600 -0.036 0.000 1.062 534 E CA 0.329 56.703 56.400 -0.042 0.000 0.867 534 E CB 0.471 30.138 29.700 -0.055 0.000 0.888 534 E HN 0.510 nan 8.360 nan 0.000 0.510 535 G N 1.958 110.739 108.800 -0.033 0.000 2.143 535 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.249 535 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.249 535 G C 0.035 174.905 174.900 -0.051 0.000 0.981 535 G CA 0.242 45.323 45.100 -0.033 0.000 0.665 535 G HN 0.176 nan 8.290 nan 0.000 0.528 536 K N 0.519 120.876 120.400 -0.073 0.000 2.098 536 K HA 0.555 4.875 4.320 -0.000 0.000 0.258 536 K C -0.681 175.845 176.600 -0.122 0.000 0.973 536 K CA -0.915 55.318 56.287 -0.089 0.000 0.898 536 K CB 1.078 33.518 32.500 -0.099 0.000 1.057 536 K HN 0.086 nan 8.250 nan 0.000 0.447 537 D N 0.849 121.179 120.400 -0.117 0.000 2.277 537 D HA 0.371 5.010 4.640 -0.000 0.000 0.250 537 D C -0.615 175.590 176.300 -0.159 0.000 1.032 537 D CA -0.152 53.763 54.000 -0.142 0.000 0.947 537 D CB 1.820 42.554 40.800 -0.109 0.000 1.159 537 D HN 0.344 nan 8.370 nan 0.000 0.460 538 T N 0.561 115.003 114.554 -0.185 0.000 3.172 538 T HA 0.379 4.729 4.350 -0.000 0.000 0.320 538 T C 0.092 174.716 174.700 -0.127 0.000 1.085 538 T CA -0.561 61.451 62.100 -0.147 0.000 1.052 538 T CB 0.875 69.622 68.868 -0.202 0.000 1.107 538 T HN 0.159 nan 8.240 nan 0.000 0.458 539 I N 3.260 123.786 120.570 -0.073 0.000 2.395 539 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 539 I C 0.773 176.861 176.117 -0.048 0.000 1.023 539 I CA -0.448 60.795 61.300 -0.096 0.000 1.350 539 I CB 1.152 39.087 38.000 -0.109 0.000 1.409 539 I HN 0.676 nan 8.210 nan 0.000 0.507 540 S N 6.026 121.666 115.700 -0.101 0.000 2.429 540 S HA 0.589 5.059 4.470 -0.000 0.000 0.302 540 S C -0.587 173.866 174.600 -0.245 0.000 1.115 540 S CA -0.749 57.383 58.200 -0.113 0.000 1.095 540 S CB 1.427 64.402 63.200 -0.375 0.000 0.987 540 S HN 0.314 nan 8.310 nan 0.000 0.474 541 V N 3.995 123.766 119.914 -0.239 0.000 2.334 541 V HA 0.696 4.816 4.120 -0.000 0.000 0.281 541 V C 0.543 176.671 176.094 0.057 0.000 1.016 541 V CA -0.239 61.879 62.300 -0.305 0.000 0.832 541 V CB 0.482 31.636 31.823 -1.115 0.000 0.999 541 V HN 1.159 nan 8.190 nan 0.000 0.439 542 T N 1.700 116.381 114.554 0.211 0.000 2.804 542 T HA 0.789 5.139 4.350 -0.000 0.000 0.290 542 T C 0.358 175.074 174.700 0.027 0.000 1.099 542 T CA -0.119 62.092 62.100 0.184 0.000 1.011 542 T CB 1.683 70.437 68.868 -0.190 0.000 1.291 542 T HN 0.771 nan 8.240 nan 0.000 0.523 543 G N 0.155 108.899 108.800 -0.093 0.000 2.588 543 G HA2 0.233 4.192 3.960 -0.000 0.000 0.278 543 G HA3 0.233 4.192 3.960 -0.000 0.000 0.278 543 G C 0.746 175.457 174.900 -0.315 0.000 1.307 543 G CA -0.483 44.450 45.100 -0.279 0.000 1.016 543 G HN 0.736 nan 8.290 nan 0.000 0.503 544 N N -1.252 117.248 118.700 -0.334 0.000 2.043 544 N HA -0.154 4.585 4.740 -0.000 0.000 0.193 544 N C 2.467 177.775 175.510 -0.337 0.000 1.037 544 N CA 1.385 54.197 53.050 -0.397 0.000 0.851 544 N CB -0.392 37.851 38.487 -0.407 0.000 1.027 544 N HN 0.183 nan 8.380 nan 0.000 0.422 545 V N 1.579 121.314 119.914 -0.299 0.000 2.295 545 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 545 V C 2.492 178.061 176.094 -0.874 0.000 1.049 545 V CA 1.124 63.083 62.300 -0.568 0.000 1.024 545 V CB -0.473 30.787 31.823 -0.938 0.000 0.648 545 V HN 0.280 nan 8.190 nan 0.000 0.447 546 L N -0.146 120.628 121.223 -0.749 0.000 2.131 546 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 546 L C 2.761 179.416 176.870 -0.359 0.000 1.092 546 L CA 1.632 56.145 54.840 -0.544 0.000 0.759 546 L CB -0.600 41.256 42.059 -0.337 0.000 0.903 546 L HN 0.340 nan 8.230 nan 0.000 0.435 547 R N 0.498 120.809 120.500 -0.316 0.000 2.083 547 R HA -0.248 4.092 4.340 -0.000 0.000 0.237 547 R C 1.943 178.155 176.300 -0.146 0.000 1.137 547 R CA 2.345 58.309 56.100 -0.227 0.000 0.951 547 R CB -0.358 29.799 30.300 -0.239 0.000 0.851 547 R HN 0.275 nan 8.270 nan 0.000 0.434 548 D N -0.331 119.987 120.400 -0.137 0.000 2.092 548 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 548 D C 1.907 178.312 176.300 0.175 0.000 0.994 548 D CA 1.791 55.809 54.000 0.031 0.000 0.828 548 D CB -0.418 40.456 40.800 0.123 0.000 0.963 548 D HN 0.451 nan 8.370 nan 0.000 0.450 549 Y N 0.084 120.341 120.300 -0.072 0.000 2.114 549 Y HA -0.144 4.406 4.550 -0.000 0.000 0.284 549 Y C 2.562 178.421 175.900 -0.068 0.000 1.143 549 Y CA 0.322 58.402 58.100 -0.034 0.000 1.135 549 Y CB -0.149 38.251 38.460 -0.101 0.000 0.980 549 Y HN 0.004 nan 8.280 nan 0.000 0.499 550 L N -0.127 121.115 121.223 0.032 0.000 2.201 550 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 550 L C 2.310 179.225 176.870 0.074 0.000 1.105 550 L CA 1.592 56.432 54.840 0.000 0.000 0.775 550 L CB -0.927 41.071 42.059 -0.101 0.000 0.913 550 L HN 0.347 nan 8.230 nan 0.000 0.440 551 T N -5.400 109.173 114.554 0.033 0.000 3.160 551 T HA -0.043 4.307 4.350 -0.000 0.000 0.257 551 T C 1.006 175.731 174.700 0.041 0.000 1.147 551 T CA 0.746 62.866 62.100 0.033 0.000 1.064 551 T CB 0.081 68.945 68.868 -0.006 0.000 0.949 551 T HN 0.196 nan 8.240 nan 0.000 0.526 552 D N -0.399 120.028 120.400 0.046 0.000 2.626 552 D HA 0.255 4.895 4.640 -0.000 0.000 0.274 552 D C 1.577 177.882 176.300 0.009 0.000 1.045 552 D CA -0.184 53.836 54.000 0.033 0.000 0.925 552 D CB 0.021 40.851 40.800 0.049 0.000 1.260 552 D HN 0.163 nan 8.370 nan 0.000 0.490 553 L N 0.102 121.312 121.223 -0.022 0.000 1.955 553 L HA -0.110 4.230 4.340 -0.000 0.000 0.213 553 L C 1.752 178.492 176.870 -0.217 0.000 1.072 553 L CA 1.874 56.631 54.840 -0.140 0.000 0.755 553 L CB -0.834 41.054 42.059 -0.285 0.000 0.888 553 L HN 0.063 nan 8.230 nan 0.000 0.432 554 F N -0.466 119.464 119.950 -0.035 0.000 2.134 554 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 554 F C -0.234 175.521 175.800 -0.075 0.000 1.097 554 F CA 1.462 59.408 58.000 -0.090 0.000 1.264 554 F CB -1.839 37.102 39.000 -0.097 0.000 1.001 554 F HN 0.208 nan 8.300 nan 0.000 0.479 555 P HA -0.170 nan 4.420 nan 0.000 0.218 555 P C 1.785 179.081 177.300 -0.006 0.000 1.149 555 P CA 1.225 64.350 63.100 0.042 0.000 0.817 555 P CB 0.014 31.727 31.700 0.022 0.000 0.785 556 I N -1.586 118.979 120.570 -0.010 0.000 2.252 556 I HA -0.174 3.995 4.170 -0.000 0.000 0.245 556 I C 2.031 178.157 176.117 0.015 0.000 1.102 556 I CA 1.730 63.014 61.300 -0.026 0.000 1.385 556 I CB -1.145 36.857 38.000 0.004 0.000 1.064 556 I HN 0.029 nan 8.210 nan 0.000 0.414 557 M N 0.039 119.669 119.600 0.051 0.000 2.156 557 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 557 M C 2.118 178.554 176.300 0.226 0.000 1.067 557 M CA 1.475 56.854 55.300 0.132 0.000 1.131 557 M CB -1.222 31.302 32.600 -0.127 0.000 1.368 557 M HN 0.263 nan 8.290 nan 0.000 0.416 558 E N 0.086 120.357 120.200 0.119 0.000 2.072 558 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 558 E C 1.822 178.551 176.600 0.215 0.000 0.982 558 E CA 0.916 57.409 56.400 0.155 0.000 0.803 558 E CB 0.098 29.844 29.700 0.077 0.000 0.755 558 E HN 0.445 nan 8.360 nan 0.000 0.453 559 L N -1.577 119.634 121.223 -0.019 0.000 2.817 559 L HA 0.368 4.708 4.340 -0.000 0.000 0.248 559 L C 1.353 177.828 176.870 -0.658 0.000 1.133 559 L CA 0.220 54.964 54.840 -0.160 0.000 0.935 559 L CB 0.698 42.727 42.059 -0.050 0.000 1.266 559 L HN 0.235 nan 8.230 nan 0.000 0.535 560 G N 0.821 109.064 108.800 -0.928 0.000 2.162 560 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 560 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 560 G C 0.299 175.043 174.900 -0.259 0.000 0.976 560 G CA 0.639 45.283 45.100 -0.761 0.000 0.655 560 G HN 0.396 nan 8.290 nan 0.000 0.533 561 T N -1.465 112.976 114.554 -0.188 0.000 2.942 561 T HA 0.595 4.945 4.350 -0.000 0.000 0.327 561 T C 0.561 175.219 174.700 -0.070 0.000 1.360 561 T CA 0.878 62.920 62.100 -0.097 0.000 1.055 561 T CB 1.213 70.029 68.868 -0.086 0.000 1.261 561 T HN 1.182 nan 8.240 nan 0.000 0.485 562 S N 1.577 117.247 115.700 -0.050 0.000 2.663 562 S HA 0.463 4.933 4.470 -0.000 0.000 0.243 562 S C 1.310 175.881 174.600 -0.049 0.000 1.009 562 S CA 0.176 58.355 58.200 -0.035 0.000 0.988 562 S CB 0.422 63.614 63.200 -0.013 0.000 0.896 562 S HN 0.883 nan 8.310 nan 0.000 0.502 563 A N 1.336 124.110 122.820 -0.077 0.000 2.348 563 A HA 0.403 4.723 4.320 -0.000 0.000 0.224 563 A C 0.530 178.035 177.584 -0.132 0.000 1.227 563 A CA -0.222 51.745 52.037 -0.117 0.000 0.885 563 A CB 0.051 18.953 19.000 -0.164 0.000 0.933 563 A HN 0.413 nan 8.150 nan 0.000 0.506 564 K N 1.107 121.449 120.400 -0.096 0.000 2.579 564 K HA 0.589 4.908 4.320 -0.000 0.000 0.225 564 K C -0.795 175.771 176.600 -0.056 0.000 0.992 564 K CA 0.014 56.246 56.287 -0.091 0.000 1.018 564 K CB 0.677 33.123 32.500 -0.089 0.000 1.249 564 K HN 0.638 nan 8.250 nan 0.000 0.489 565 M N -0.629 118.942 119.600 -0.049 0.000 3.118 565 M HA 0.347 4.827 4.480 -0.000 0.000 0.276 565 M C -1.778 174.514 176.300 -0.012 0.000 1.099 565 M CA -1.119 54.166 55.300 -0.026 0.000 0.802 565 M CB 0.863 33.451 32.600 -0.019 0.000 1.618 565 M HN 0.081 nan 8.290 nan 0.000 0.535 566 L N 1.476 122.700 121.223 0.002 0.000 2.349 566 L HA 0.531 4.871 4.340 -0.000 0.000 0.275 566 L C 0.246 177.128 176.870 0.020 0.000 1.115 566 L CA -0.263 54.593 54.840 0.026 0.000 0.820 566 L CB 1.590 43.671 42.059 0.038 0.000 1.135 566 L HN 0.829 nan 8.230 nan 0.000 0.445 567 S N 4.228 119.949 115.700 0.036 0.000 2.204 567 S HA 0.464 4.934 4.470 -0.000 0.000 0.147 567 S C -0.404 174.196 174.600 -0.001 0.000 1.711 567 S CA -0.576 57.626 58.200 0.004 0.000 1.274 567 S CB -0.171 63.024 63.200 -0.008 0.000 1.257 567 S HN 0.405 nan 8.310 nan 0.000 0.404 568 I N 2.510 123.081 120.570 0.002 0.000 2.441 568 I HA 0.333 4.502 4.170 -0.000 0.000 0.287 568 I C -0.354 175.662 176.117 -0.168 0.000 1.049 568 I CA -0.534 60.726 61.300 -0.067 0.000 1.381 568 I CB 1.536 39.563 38.000 0.045 0.000 1.409 568 I HN 0.149 nan 8.210 nan 0.000 0.523 569 V N 8.167 127.886 119.914 -0.325 0.000 2.340 569 V HA 0.244 4.364 4.120 -0.000 0.000 0.277 569 V C -2.373 173.553 176.094 -0.281 0.000 1.017 569 V CA -1.608 60.542 62.300 -0.251 0.000 0.820 569 V CB 1.137 32.824 31.823 -0.227 0.000 1.028 569 V HN 0.580 nan 8.190 nan 0.000 0.436 570 P HA 0.198 nan 4.420 nan 0.000 0.267 570 P C 0.085 177.337 177.300 -0.080 0.000 1.328 570 P CA -0.008 63.030 63.100 -0.103 0.000 0.990 570 P CB 0.228 31.913 31.700 -0.024 0.000 1.168 571 L N 3.301 124.463 121.223 -0.102 0.000 2.525 571 L HA 0.031 4.371 4.340 -0.000 0.000 0.278 571 L C 2.052 178.910 176.870 -0.021 0.000 1.218 571 L CA 0.182 54.983 54.840 -0.066 0.000 0.878 571 L CB 0.107 42.125 42.059 -0.068 0.000 1.127 571 L HN 0.417 nan 8.230 nan 0.000 0.492 572 M N 1.053 120.642 119.600 -0.017 0.000 2.279 572 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 572 M C 1.772 178.075 176.300 0.005 0.000 1.062 572 M CA 1.281 56.580 55.300 -0.002 0.000 1.099 572 M CB -0.215 32.382 32.600 -0.005 0.000 1.394 572 M HN 0.656 nan 8.290 nan 0.000 0.426 573 S N -0.405 115.298 115.700 0.004 0.000 2.607 573 S HA 0.161 4.631 4.470 -0.000 0.000 0.224 573 S C 1.481 176.096 174.600 0.025 0.000 0.969 573 S CA 0.784 58.991 58.200 0.012 0.000 0.927 573 S CB 0.087 63.294 63.200 0.011 0.000 0.772 573 S HN 0.780 nan 8.310 nan 0.000 0.533 574 G N 0.644 109.466 108.800 0.036 0.000 2.238 574 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 574 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 574 G C 0.430 175.414 174.900 0.140 0.000 0.996 574 G CA -0.260 44.880 45.100 0.067 0.000 0.632 574 G HN 0.768 nan 8.290 nan 0.000 0.503 575 G N -0.106 108.753 108.800 0.098 0.000 2.516 575 G HA2 0.664 4.624 3.960 -0.000 0.000 0.276 575 G HA3 0.664 4.624 3.960 -0.000 0.000 0.276 575 G C 0.398 175.264 174.900 -0.056 0.000 1.390 575 G CA 0.156 45.315 45.100 0.098 0.000 1.050 575 G HN 1.473 nan 8.290 nan 0.000 0.519 576 G N -1.528 107.097 108.800 -0.292 0.000 2.701 576 G HA2 0.552 4.512 3.960 -0.000 0.000 0.300 576 G HA3 0.552 4.512 3.960 -0.000 0.000 0.300 576 G C -1.855 172.692 174.900 -0.588 0.000 1.410 576 G CA -0.456 44.282 45.100 -0.604 0.000 1.014 576 G HN 0.760 nan 8.290 nan 0.000 0.509 577 L N 1.582 122.345 121.223 -0.765 0.000 2.356 577 L HA 0.865 5.205 4.340 -0.000 0.000 0.277 577 L C -1.697 174.717 176.870 -0.759 0.000 0.996 577 L CA -1.180 53.353 54.840 -0.511 0.000 0.822 577 L CB 1.092 42.985 42.059 -0.277 0.000 1.256 577 L HN 0.358 nan 8.230 nan 0.000 0.413 578 F N 3.049 122.951 119.950 -0.081 0.000 2.434 578 F HA 0.459 4.986 4.527 -0.000 0.000 0.355 578 F C 0.202 175.961 175.800 -0.069 0.000 1.115 578 F CA -0.634 57.327 58.000 -0.065 0.000 1.010 578 F CB 1.236 40.206 39.000 -0.051 0.000 1.234 578 F HN 0.435 nan 8.300 nan 0.000 0.439 579 E N 1.137 121.365 120.200 0.047 0.000 2.223 579 E HA 0.112 4.462 4.350 -0.000 0.000 0.282 579 E C 0.981 177.598 176.600 0.029 0.000 1.046 579 E CA -0.062 56.345 56.400 0.012 0.000 0.857 579 E CB 1.222 30.911 29.700 -0.018 0.000 1.055 579 E HN 0.747 nan 8.360 nan 0.000 0.409 580 T N 0.333 114.895 114.554 0.015 0.000 2.995 580 T HA 0.056 4.405 4.350 -0.000 0.000 0.269 580 T C 0.816 175.521 174.700 0.009 0.000 1.091 580 T CA 0.439 62.547 62.100 0.013 0.000 1.128 580 T CB 0.192 69.068 68.868 0.013 0.000 0.891 580 T HN 0.450 nan 8.240 nan 0.000 0.492 581 G N -1.096 107.718 108.800 0.023 0.000 2.703 581 G HA2 0.608 4.568 3.960 -0.000 0.000 0.294 581 G HA3 0.608 4.568 3.960 -0.000 0.000 0.294 581 G C 0.063 174.977 174.900 0.023 0.000 1.451 581 G CA -0.284 44.825 45.100 0.015 0.000 0.869 581 G HN 0.290 nan 8.290 nan 0.000 0.516 582 A N -0.060 122.766 122.820 0.010 0.000 2.308 582 A HA 0.647 4.967 4.320 -0.000 0.000 0.217 582 A C 1.381 178.984 177.584 0.032 0.000 1.216 582 A CA 1.206 53.254 52.037 0.018 0.000 0.864 582 A CB -0.195 18.811 19.000 0.010 0.000 0.902 582 A HN 1.337 nan 8.150 nan 0.000 0.499 583 G N -0.727 108.096 108.800 0.037 0.000 2.574 583 G HA2 0.484 4.444 3.960 -0.000 0.000 0.248 583 G HA3 0.484 4.444 3.960 -0.000 0.000 0.248 583 G C 0.530 175.477 174.900 0.078 0.000 1.422 583 G CA -0.027 45.101 45.100 0.048 0.000 1.051 583 G HN 0.526 nan 8.290 nan 0.000 0.560 584 G N -1.517 107.331 108.800 0.081 0.000 2.525 584 G HA2 0.389 4.349 3.960 -0.000 0.000 0.287 584 G HA3 0.389 4.349 3.960 -0.000 0.000 0.287 584 G C 0.967 175.943 174.900 0.125 0.000 1.350 584 G CA 0.646 45.792 45.100 0.076 0.000 1.039 584 G HN 1.051 nan 8.290 nan 0.000 0.513 585 S N -1.355 114.365 115.700 0.034 0.000 2.634 585 S HA 0.419 4.889 4.470 -0.000 0.000 0.221 585 S C 1.146 175.678 174.600 -0.112 0.000 0.952 585 S CA 0.785 58.933 58.200 -0.087 0.000 0.930 585 S CB -0.106 63.010 63.200 -0.140 0.000 0.780 585 S HN 2.167 nan 8.310 nan 0.000 0.498 586 A N 1.808 124.623 122.820 -0.007 0.000 2.136 586 A HA -0.084 4.236 4.320 -0.000 0.000 0.274 586 A C -1.035 176.512 177.584 -0.062 0.000 1.388 586 A CA 0.365 52.327 52.037 -0.126 0.000 0.741 586 A CB -1.977 16.783 19.000 -0.400 0.000 1.173 586 A HN 0.478 nan 8.150 nan 0.000 0.329 587 P HA -0.166 nan 4.420 nan 0.000 0.215 587 P C 1.476 178.861 177.300 0.141 0.000 1.153 587 P CA 1.676 64.841 63.100 0.107 0.000 0.853 587 P CB 0.037 31.806 31.700 0.115 0.000 0.788 588 K N -1.515 118.959 120.400 0.124 0.000 2.209 588 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 588 K C 2.063 178.839 176.600 0.292 0.000 1.048 588 K CA 1.090 57.484 56.287 0.178 0.000 0.940 588 K CB -0.526 32.074 32.500 0.165 0.000 0.729 588 K HN 0.456 nan 8.250 nan 0.000 0.451 589 H N -0.316 118.837 119.070 0.138 0.000 2.357 589 H HA -0.068 4.488 4.556 -0.000 0.000 0.301 589 H C 2.177 177.592 175.328 0.146 0.000 1.082 589 H CA 0.957 57.098 56.048 0.156 0.000 1.342 589 H CB 0.224 30.101 29.762 0.191 0.000 1.389 589 H HN -0.065 nan 8.280 nan 0.000 0.511 590 V N 1.123 121.180 119.914 0.239 0.000 2.407 590 V HA -0.284 3.835 4.120 -0.000 0.000 0.248 590 V C 2.479 178.728 176.094 0.259 0.000 1.055 590 V CA 1.933 64.345 62.300 0.187 0.000 1.049 590 V CB -0.572 31.293 31.823 0.070 0.000 0.662 590 V HN 0.443 nan 8.190 nan 0.000 0.455 591 Q N 0.182 120.118 119.800 0.227 0.000 2.061 591 Q HA -0.320 4.019 4.340 -0.000 0.000 0.204 591 Q C 2.402 178.493 176.000 0.151 0.000 0.984 591 Q CA 2.380 58.283 55.803 0.166 0.000 0.846 591 Q CB -0.243 28.567 28.738 0.119 0.000 0.902 591 Q HN 0.747 nan 8.270 nan 0.000 0.421 592 Q N -0.798 119.110 119.800 0.180 0.000 2.170 592 Q HA -0.195 4.145 4.340 -0.000 0.000 0.203 592 Q C 1.793 177.911 176.000 0.195 0.000 0.976 592 Q CA 1.352 57.256 55.803 0.168 0.000 0.858 592 Q CB -0.185 28.668 28.738 0.192 0.000 0.907 592 Q HN 0.495 nan 8.270 nan 0.000 0.433 593 F N 0.562 120.560 119.950 0.080 0.000 2.146 593 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 593 F C 1.546 177.365 175.800 0.031 0.000 1.096 593 F CA 1.122 59.150 58.000 0.047 0.000 1.275 593 F CB 0.001 39.007 39.000 0.009 0.000 1.008 593 F HN 0.047 nan 8.300 nan 0.000 0.480 594 L N -0.353 120.874 121.223 0.006 0.000 2.313 594 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 594 L C 2.107 178.918 176.870 -0.097 0.000 1.119 594 L CA 0.937 55.720 54.840 -0.094 0.000 0.809 594 L CB -0.513 41.574 42.059 0.046 0.000 0.933 594 L HN 0.179 nan 8.230 nan 0.000 0.449 595 E N 0.562 120.737 120.200 -0.041 0.000 2.102 595 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 595 E C 0.966 177.534 176.600 -0.053 0.000 0.971 595 E CA 1.079 57.458 56.400 -0.034 0.000 0.821 595 E CB 0.254 29.954 29.700 0.000 0.000 0.777 595 E HN 0.583 nan 8.360 nan 0.000 0.460 596 E N -0.646 119.527 120.200 -0.044 0.000 2.810 596 E HA 0.252 4.602 4.350 -0.000 0.000 0.214 596 E C 0.474 177.048 176.600 -0.043 0.000 0.980 596 E CA 0.158 56.536 56.400 -0.036 0.000 1.159 596 E CB 0.795 30.494 29.700 -0.002 0.000 1.047 596 E HN 0.158 nan 8.360 nan 0.000 0.484 597 G N 1.518 110.207 108.800 -0.185 0.000 2.305 597 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.287 597 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.287 597 G C -0.700 174.241 174.900 0.068 0.000 1.036 597 G CA 0.931 45.846 45.100 -0.309 0.000 0.887 597 G HN 0.492 nan 8.290 nan 0.000 0.505 598 Y N -0.870 119.489 120.300 0.099 0.000 2.361 598 Y HA 0.626 5.176 4.550 -0.000 0.000 0.337 598 Y C -0.655 175.413 175.900 0.279 0.000 0.965 598 Y CA -1.758 56.450 58.100 0.179 0.000 1.091 598 Y CB 1.643 40.145 38.460 0.070 0.000 1.182 598 Y HN 0.244 nan 8.280 nan 0.000 0.450 599 L N 7.847 128.943 121.223 -0.212 0.000 2.295 599 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 599 L C 0.496 177.149 176.870 -0.362 0.000 1.018 599 L CA -0.284 54.454 54.840 -0.170 0.000 0.841 599 L CB 0.791 42.691 42.059 -0.265 0.000 1.218 599 L HN 0.787 nan 8.230 nan 0.000 0.424 600 R N 3.260 123.620 120.500 -0.234 0.000 2.320 600 R HA 0.047 4.387 4.340 -0.000 0.000 0.211 600 R C 0.232 176.431 176.300 -0.169 0.000 0.931 600 R CA -0.465 55.507 56.100 -0.214 0.000 1.071 600 R CB -0.114 30.116 30.300 -0.118 0.000 1.025 600 R HN 0.632 nan 8.270 nan 0.000 0.495 601 W N 3.202 124.399 121.300 -0.171 0.000 2.264 601 W HA 0.023 4.682 4.660 -0.000 0.000 0.331 601 W C -0.954 175.552 176.519 -0.023 0.000 1.364 601 W CA 0.182 57.571 57.345 0.074 0.000 1.253 601 W CB 0.555 30.081 29.460 0.109 0.000 1.215 601 W HN 0.084 nan 8.180 nan 0.000 0.561 602 D N 3.789 123.824 120.400 -0.609 0.000 2.359 602 D HA 0.118 4.758 4.640 -0.000 0.000 0.230 602 D C 0.162 176.094 176.300 -0.613 0.000 1.118 602 D CA -0.042 53.673 54.000 -0.474 0.000 0.844 602 D CB 1.253 41.816 40.800 -0.395 0.000 1.059 602 D HN 0.233 nan 8.370 nan 0.000 0.493 603 S N 3.178 118.696 115.700 -0.303 0.000 2.671 603 S HA -0.020 4.450 4.470 -0.000 0.000 0.220 603 S C 1.654 175.674 174.600 -0.967 0.000 0.951 603 S CA -0.455 57.509 58.200 -0.392 0.000 0.932 603 S CB -0.007 63.102 63.200 -0.151 0.000 0.777 603 S HN 0.500 nan 8.310 nan 0.000 0.508 604 L N 2.583 123.427 121.223 -0.631 0.000 2.043 604 L HA -0.087 4.252 4.340 -0.000 0.000 0.212 604 L C 2.258 178.936 176.870 -0.320 0.000 1.075 604 L CA 2.057 56.649 54.840 -0.413 0.000 0.752 604 L CB -1.189 40.769 42.059 -0.168 0.000 0.891 604 L HN 0.367 nan 8.230 nan 0.000 0.432 605 G N -1.447 107.192 108.800 -0.270 0.000 2.442 605 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 605 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 605 G C 1.425 176.258 174.900 -0.112 0.000 1.141 605 G CA 0.960 45.972 45.100 -0.147 0.000 0.763 605 G HN 0.533 nan 8.290 nan 0.000 0.554 606 E N -0.099 119.991 120.200 -0.183 0.000 2.072 606 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 606 E C 2.176 178.781 176.600 0.008 0.000 0.985 606 E CA 0.746 57.104 56.400 -0.069 0.000 0.801 606 E CB -0.206 29.473 29.700 -0.034 0.000 0.750 606 E HN 0.440 nan 8.360 nan 0.000 0.452 607 F N 0.746 120.670 119.950 -0.045 0.000 2.102 607 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 607 F C 2.049 177.757 175.800 -0.153 0.000 1.105 607 F CA 0.848 58.765 58.000 -0.138 0.000 1.239 607 F CB -1.007 37.901 39.000 -0.154 0.000 0.991 607 F HN -0.006 nan 8.300 nan 0.000 0.474 608 L N -0.252 121.011 121.223 0.067 0.000 2.017 608 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 608 L C 2.740 179.589 176.870 -0.035 0.000 1.073 608 L CA 1.307 56.145 54.840 -0.003 0.000 0.745 608 L CB -1.163 40.892 42.059 -0.007 0.000 0.894 608 L HN 0.146 nan 8.230 nan 0.000 0.432 609 A N -0.004 122.805 122.820 -0.018 0.000 1.902 609 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 609 A C 2.219 179.703 177.584 -0.167 0.000 1.181 609 A CA 1.664 53.678 52.037 -0.038 0.000 0.623 609 A CB -0.703 18.320 19.000 0.038 0.000 0.818 609 A HN 0.324 nan 8.150 nan 0.000 0.443 610 L N -0.141 121.037 121.223 -0.075 0.000 2.042 610 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 610 L C 2.669 179.435 176.870 -0.173 0.000 1.076 610 L CA 2.244 57.033 54.840 -0.085 0.000 0.749 610 L CB -0.850 41.204 42.059 -0.008 0.000 0.893 610 L HN 0.353 nan 8.230 nan 0.000 0.432 611 A N -0.440 122.272 122.820 -0.180 0.000 1.883 611 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 611 A C 2.467 179.937 177.584 -0.190 0.000 1.186 611 A CA 2.082 54.012 52.037 -0.179 0.000 0.624 611 A CB -1.290 17.610 19.000 -0.165 0.000 0.822 611 A HN 0.591 nan 8.150 nan 0.000 0.444 612 A N -0.870 121.797 122.820 -0.256 0.000 1.902 612 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 612 A C 2.495 179.680 177.584 -0.666 0.000 1.181 612 A CA 2.265 54.105 52.037 -0.329 0.000 0.623 612 A CB -0.976 17.878 19.000 -0.245 0.000 0.818 612 A HN 0.613 nan 8.150 nan 0.000 0.443 613 S N -0.500 114.608 115.700 -0.986 0.000 2.356 613 S HA -0.106 4.363 4.470 -0.000 0.000 0.223 613 S C 1.957 176.422 174.600 -0.224 0.000 1.032 613 S CA 1.473 59.163 58.200 -0.851 0.000 1.005 613 S CB -0.487 62.396 63.200 -0.528 0.000 0.867 613 S HN 0.486 nan 8.310 nan 0.000 0.449 614 L N 1.075 122.215 121.223 -0.139 0.000 2.046 614 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 614 L C 2.799 179.685 176.870 0.028 0.000 1.077 614 L CA 1.929 56.763 54.840 -0.009 0.000 0.747 614 L CB -0.532 41.540 42.059 0.022 0.000 0.896 614 L HN 0.489 nan 8.230 nan 0.000 0.432 615 E N -0.747 119.455 120.200 0.003 0.000 2.106 615 E HA -0.286 4.064 4.350 -0.000 0.000 0.192 615 E C 2.249 178.908 176.600 0.099 0.000 0.984 615 E CA 0.924 57.349 56.400 0.042 0.000 0.806 615 E CB -0.058 29.657 29.700 0.024 0.000 0.750 615 E HN 0.480 nan 8.360 nan 0.000 0.458 616 H N 0.941 120.038 119.070 0.045 0.000 2.389 616 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 616 H C 2.203 177.632 175.328 0.168 0.000 1.081 616 H CA 1.409 57.545 56.048 0.148 0.000 1.345 616 H CB -0.087 29.859 29.762 0.307 0.000 1.393 616 H HN 0.320 nan 8.280 nan 0.000 0.520 617 L N -0.013 121.398 121.223 0.313 0.000 2.072 617 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 617 L C 2.697 179.696 176.870 0.215 0.000 1.079 617 L CA 1.349 56.358 54.840 0.282 0.000 0.752 617 L CB -0.681 41.461 42.059 0.137 0.000 0.906 617 L HN 0.334 nan 8.230 nan 0.000 0.436 618 G N -0.180 108.697 108.800 0.129 0.000 2.421 618 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 618 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 618 G C 1.276 176.232 174.900 0.093 0.000 1.171 618 G CA 0.847 46.008 45.100 0.102 0.000 0.775 618 G HN 0.403 nan 8.290 nan 0.000 0.543 619 N N 1.105 119.836 118.700 0.051 0.000 2.331 619 N HA -0.003 4.737 4.740 -0.000 0.000 0.180 619 N C 2.369 177.869 175.510 -0.017 0.000 1.019 619 N CA 0.991 54.045 53.050 0.006 0.000 0.881 619 N CB -0.166 38.303 38.487 -0.030 0.000 0.972 619 N HN 0.339 nan 8.380 nan 0.000 0.435 620 A N -0.057 122.766 122.820 0.006 0.000 1.930 620 A HA -0.037 4.282 4.320 -0.000 0.000 0.215 620 A C 0.774 178.296 177.584 -0.104 0.000 1.176 620 A CA 0.923 52.928 52.037 -0.053 0.000 0.632 620 A CB -0.299 18.718 19.000 0.028 0.000 0.819 620 A HN 0.261 nan 8.150 nan 0.000 0.445 621 Y N -0.669 119.634 120.300 0.005 0.000 2.696 621 Y HA 0.303 4.852 4.550 -0.000 0.000 0.260 621 Y C 0.186 176.094 175.900 0.013 0.000 1.165 621 Y CA -0.750 57.360 58.100 0.017 0.000 1.189 621 Y CB -0.175 38.305 38.460 0.032 0.000 1.180 621 Y HN 0.275 nan 8.280 nan 0.000 0.538 622 K N 0.900 121.373 120.400 0.122 0.000 3.156 622 K HA -0.267 4.052 4.320 -0.000 0.000 0.266 622 K C -0.359 176.294 176.600 0.087 0.000 0.966 622 K CA 0.579 56.912 56.287 0.077 0.000 0.719 622 K CB -1.110 31.420 32.500 0.049 0.000 1.333 622 K HN 0.281 nan 8.250 nan 0.000 0.468 623 N N 0.762 119.524 118.700 0.103 0.000 2.500 623 N HA 0.134 4.874 4.740 -0.000 0.000 0.236 623 N C -1.922 173.623 175.510 0.058 0.000 1.022 623 N CA -2.194 50.903 53.050 0.078 0.000 0.935 623 N CB 1.227 39.758 38.487 0.074 0.000 1.147 623 N HN -0.125 nan 8.380 nan 0.000 0.512 624 P HA -0.117 nan 4.420 nan 0.000 0.215 624 P C 0.920 178.244 177.300 0.040 0.000 1.153 624 P CA 1.511 64.634 63.100 0.039 0.000 0.853 624 P CB 0.448 32.167 31.700 0.032 0.000 0.788 625 K N -0.383 120.041 120.400 0.040 0.000 2.057 625 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 625 K C 2.188 178.821 176.600 0.054 0.000 1.049 625 K CA 1.582 57.895 56.287 0.043 0.000 0.931 625 K CB -0.791 31.734 32.500 0.041 0.000 0.714 625 K HN 0.040 nan 8.250 nan 0.000 0.440 626 A N 1.521 124.375 122.820 0.057 0.000 1.940 626 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 626 A C 2.114 179.741 177.584 0.071 0.000 1.176 626 A CA 1.303 53.381 52.037 0.069 0.000 0.631 626 A CB -0.615 18.421 19.000 0.060 0.000 0.814 626 A HN 0.171 nan 8.150 nan 0.000 0.446 627 L N -0.735 120.523 121.223 0.058 0.000 2.109 627 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 627 L C 2.438 179.338 176.870 0.050 0.000 1.086 627 L CA 0.800 55.669 54.840 0.048 0.000 0.760 627 L CB -0.433 41.650 42.059 0.039 0.000 0.910 627 L HN 0.250 nan 8.230 nan 0.000 0.437 628 V N 0.030 119.975 119.914 0.052 0.000 2.453 628 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 628 V C 2.377 178.526 176.094 0.091 0.000 1.048 628 V CA 1.310 63.640 62.300 0.049 0.000 1.049 628 V CB -0.292 31.548 31.823 0.028 0.000 0.672 628 V HN 0.335 nan 8.190 nan 0.000 0.457 629 L N 0.237 121.535 121.223 0.124 0.000 2.046 629 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 629 L C 2.737 179.784 176.870 0.296 0.000 1.077 629 L CA 1.632 56.639 54.840 0.278 0.000 0.747 629 L CB -0.787 41.437 42.059 0.276 0.000 0.896 629 L HN 0.369 nan 8.230 nan 0.000 0.432 630 A N -0.651 122.245 122.820 0.127 0.000 1.898 630 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 630 A C 2.509 180.081 177.584 -0.019 0.000 1.181 630 A CA 1.961 54.010 52.037 0.019 0.000 0.620 630 A CB -0.545 18.459 19.000 0.007 0.000 0.819 630 A HN 0.371 nan 8.150 nan 0.000 0.442 631 S N 0.024 115.736 115.700 0.020 0.000 2.348 631 S HA -0.171 4.299 4.470 -0.000 0.000 0.221 631 S C 2.256 176.855 174.600 -0.003 0.000 1.033 631 S CA 2.085 60.287 58.200 0.003 0.000 1.010 631 S CB -0.879 62.333 63.200 0.019 0.000 0.891 631 S HN 0.884 nan 8.310 nan 0.000 0.442 632 T N 1.090 115.687 114.554 0.072 0.000 2.881 632 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 632 T C 1.719 176.388 174.700 -0.051 0.000 1.068 632 T CA 1.042 63.216 62.100 0.123 0.000 1.131 632 T CB -0.476 68.567 68.868 0.291 0.000 0.871 632 T HN 0.194 nan 8.240 nan 0.000 0.479 633 L N 1.736 122.770 121.223 -0.314 0.000 2.072 633 L HA 0.043 4.383 4.340 -0.000 0.000 0.205 633 L C 1.961 178.544 176.870 -0.478 0.000 1.079 633 L CA 1.753 56.046 54.840 -0.911 0.000 0.752 633 L CB -0.873 40.558 42.059 -1.046 0.000 0.906 633 L HN 0.102 nan 8.230 nan 0.000 0.436 634 D N -0.661 119.581 120.400 -0.263 0.000 2.123 634 D HA -0.274 4.366 4.640 -0.000 0.000 0.196 634 D C 1.970 178.184 176.300 -0.143 0.000 0.992 634 D CA 1.586 55.486 54.000 -0.168 0.000 0.833 634 D CB -0.004 40.736 40.800 -0.100 0.000 0.954 634 D HN 0.571 nan 8.370 nan 0.000 0.455 635 Q N 0.539 120.266 119.800 -0.120 0.000 2.050 635 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 635 Q C 2.099 178.033 176.000 -0.110 0.000 0.980 635 Q CA 1.693 57.442 55.803 -0.090 0.000 0.840 635 Q CB -0.054 28.656 28.738 -0.047 0.000 0.898 635 Q HN 0.187 nan 8.270 nan 0.000 0.424 636 A N -0.136 122.606 122.820 -0.130 0.000 1.902 636 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 636 A C 2.216 179.733 177.584 -0.110 0.000 1.181 636 A CA 1.923 53.913 52.037 -0.079 0.000 0.623 636 A CB -0.962 17.953 19.000 -0.142 0.000 0.818 636 A HN 0.500 nan 8.150 nan 0.000 0.443 637 T N -0.285 114.150 114.554 -0.198 0.000 2.746 637 T HA -0.030 4.319 4.350 -0.000 0.000 0.267 637 T C 1.961 176.617 174.700 -0.074 0.000 1.039 637 T CA 1.375 63.393 62.100 -0.137 0.000 1.142 637 T CB -0.583 68.216 68.868 -0.114 0.000 0.866 637 T HN 0.590 nan 8.240 nan 0.000 0.444 638 G N 1.491 110.239 108.800 -0.087 0.000 2.422 638 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 638 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 638 G C 1.618 176.464 174.900 -0.090 0.000 1.146 638 G CA 0.613 45.670 45.100 -0.071 0.000 0.769 638 G HN 0.415 nan 8.290 nan 0.000 0.547 639 K N -0.258 120.053 120.400 -0.148 0.000 2.097 639 K HA 0.038 4.358 4.320 -0.000 0.000 0.205 639 K C 2.403 178.939 176.600 -0.108 0.000 1.050 639 K CA 0.479 56.594 56.287 -0.287 0.000 0.938 639 K CB -0.136 31.911 32.500 -0.755 0.000 0.718 639 K HN 0.186 nan 8.250 nan 0.000 0.442 640 I N 1.498 122.104 120.570 0.060 0.000 2.208 640 I HA -0.271 3.898 4.170 -0.000 0.000 0.245 640 I C 2.165 178.272 176.117 -0.016 0.000 1.097 640 I CA 1.517 62.884 61.300 0.111 0.000 1.363 640 I CB -0.910 37.139 38.000 0.081 0.000 1.051 640 I HN 0.188 nan 8.210 nan 0.000 0.413 641 L N -0.041 121.138 121.223 -0.074 0.000 2.023 641 L HA -0.190 4.150 4.340 -0.000 0.000 0.205 641 L C 2.318 179.152 176.870 -0.060 0.000 1.073 641 L CA 1.250 55.985 54.840 -0.175 0.000 0.745 641 L CB -0.714 41.239 42.059 -0.177 0.000 0.900 641 L HN 0.196 nan 8.230 nan 0.000 0.435 642 D N 0.389 120.783 120.400 -0.010 0.000 2.092 642 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 642 D C 1.547 177.855 176.300 0.015 0.000 0.994 642 D CA 1.295 55.314 54.000 0.032 0.000 0.828 642 D CB -0.384 40.400 40.800 -0.027 0.000 0.963 642 D HN 0.325 nan 8.370 nan 0.000 0.450 643 N N 0.811 119.491 118.700 -0.033 0.000 2.449 643 N HA -0.069 4.670 4.740 -0.000 0.000 0.191 643 N C -0.224 175.265 175.510 -0.035 0.000 1.161 643 N CA 0.020 53.057 53.050 -0.022 0.000 0.863 643 N CB -0.223 38.263 38.487 -0.001 0.000 0.980 643 N HN 0.148 nan 8.380 nan 0.000 0.458 644 N N 1.017 119.696 118.700 -0.035 0.000 2.667 644 N HA -0.170 4.570 4.740 -0.000 0.000 0.263 644 N C -0.316 175.136 175.510 -0.097 0.000 1.038 644 N CA 0.394 53.408 53.050 -0.060 0.000 0.749 644 N CB -0.204 38.265 38.487 -0.029 0.000 0.892 644 N HN -0.000 nan 8.380 nan 0.000 0.546 645 K N -0.207 120.133 120.400 -0.100 0.000 2.440 645 K HA 0.227 4.547 4.320 -0.000 0.000 0.206 645 K C 0.004 176.583 176.600 -0.036 0.000 1.025 645 K CA -0.028 56.160 56.287 -0.165 0.000 1.135 645 K CB 0.512 32.858 32.500 -0.256 0.000 0.856 645 K HN 0.264 nan 8.250 nan 0.000 0.502 646 S N 2.302 117.989 115.700 -0.022 0.000 2.632 646 S HA 0.317 4.787 4.470 -0.000 0.000 0.267 646 S C -2.313 172.294 174.600 0.011 0.000 1.276 646 S CA -0.922 57.283 58.200 0.010 0.000 0.998 646 S CB 0.747 63.922 63.200 -0.042 0.000 0.953 646 S HN 0.031 nan 8.310 nan 0.000 0.547 647 P HA 0.177 nan 4.420 nan 0.000 0.269 647 P C -0.467 176.868 177.300 0.058 0.000 1.211 647 P CA 0.071 63.181 63.100 0.015 0.000 0.781 647 P CB 0.420 32.092 31.700 -0.047 0.000 0.877 648 A N 2.350 125.269 122.820 0.165 0.000 3.888 648 A HA 0.519 4.838 4.320 -0.000 0.000 0.158 648 A C 1.250 178.951 177.584 0.194 0.000 1.485 648 A CA 0.189 52.321 52.037 0.157 0.000 1.261 648 A CB 0.395 19.481 19.000 0.143 0.000 1.670 648 A HN 0.366 nan 8.150 nan 0.000 0.661 649 R N -1.692 118.858 120.500 0.085 0.000 2.493 649 R HA 0.303 4.643 4.340 -0.000 0.000 0.177 649 R C -0.427 175.682 176.300 -0.318 0.000 0.861 649 R CA 0.613 56.707 56.100 -0.011 0.000 1.083 649 R CB -0.492 29.792 30.300 -0.026 0.000 1.328 649 R HN 0.492 nan 8.270 nan 0.000 0.615 650 K N 0.448 120.617 120.400 -0.385 0.000 2.118 650 K HA 0.361 4.681 4.320 -0.000 0.000 0.254 650 K C -0.337 175.825 176.600 -0.730 0.000 0.961 650 K CA -0.544 55.439 56.287 -0.507 0.000 0.876 650 K CB 1.683 34.039 32.500 -0.239 0.000 1.077 650 K HN -0.230 nan 8.250 nan 0.000 0.440 651 V N 1.792 121.340 119.914 -0.610 0.000 3.209 651 V HA 0.138 4.258 4.120 -0.000 0.000 0.305 651 V C 1.609 177.619 176.094 -0.140 0.000 1.127 651 V CA 1.833 63.924 62.300 -0.347 0.000 1.235 651 V CB 0.285 32.022 31.823 -0.145 0.000 0.987 651 V HN 1.012 nan 8.190 nan 0.000 0.499 652 G N 2.000 110.801 108.800 0.001 0.000 2.956 652 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.210 652 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.210 652 G C 0.268 175.211 174.900 0.072 0.000 1.316 652 G CA 0.231 45.346 45.100 0.025 0.000 0.819 652 G HN 0.957 nan 8.290 nan 0.000 0.544 653 E N 1.558 121.806 120.200 0.081 0.000 2.385 653 E HA 0.619 4.969 4.350 -0.000 0.000 0.254 653 E C 0.395 177.130 176.600 0.226 0.000 1.228 653 E CA -0.918 55.555 56.400 0.122 0.000 0.956 653 E CB 1.059 30.809 29.700 0.084 0.000 1.116 653 E HN 0.465 nan 8.360 nan 0.000 0.507 654 I N 2.019 122.697 120.570 0.180 0.000 2.775 654 I HA -0.097 4.073 4.170 -0.000 0.000 0.290 654 I C 0.567 176.779 176.117 0.158 0.000 1.203 654 I CA 0.505 61.906 61.300 0.168 0.000 1.433 654 I CB -0.146 37.944 38.000 0.149 0.000 1.354 654 I HN 0.619 nan 8.210 nan 0.000 0.579 655 D N 5.126 125.517 120.400 -0.014 0.000 2.712 655 D HA 0.043 4.682 4.640 -0.000 0.000 0.252 655 D C 0.634 176.807 176.300 -0.211 0.000 1.123 655 D CA -0.629 53.162 54.000 -0.349 0.000 1.109 655 D CB 0.115 40.382 40.800 -0.889 0.000 1.313 655 D HN 0.473 nan 8.370 nan 0.000 0.629 656 N N -0.093 118.441 118.700 -0.277 0.000 2.091 656 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 656 N C 1.568 176.853 175.510 -0.375 0.000 1.021 656 N CA 1.265 54.168 53.050 -0.245 0.000 0.862 656 N CB 0.010 38.375 38.487 -0.203 0.000 1.018 656 N HN 0.339 nan 8.380 nan 0.000 0.429 657 R N -0.343 120.007 120.500 -0.250 0.000 2.092 657 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 657 R C 2.449 178.767 176.300 0.030 0.000 1.119 657 R CA 1.218 57.247 56.100 -0.119 0.000 0.970 657 R CB -0.527 29.771 30.300 -0.004 0.000 0.864 657 R HN 0.274 nan 8.270 nan 0.000 0.440 658 G N 0.463 109.286 108.800 0.039 0.000 2.408 658 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 658 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 658 G C 1.499 176.568 174.900 0.281 0.000 1.150 658 G CA 0.962 46.153 45.100 0.151 0.000 0.776 658 G HN 0.451 nan 8.290 nan 0.000 0.542 659 S N 0.019 115.845 115.700 0.209 0.000 2.382 659 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 659 S C 1.942 176.757 174.600 0.358 0.000 1.027 659 S CA 1.490 59.860 58.200 0.283 0.000 0.991 659 S CB -0.871 62.484 63.200 0.258 0.000 0.823 659 S HN 0.657 nan 8.310 nan 0.000 0.469 660 H N -0.463 118.758 119.070 0.251 0.000 2.387 660 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 660 H C 1.958 177.361 175.328 0.125 0.000 1.090 660 H CA 1.375 57.566 56.048 0.239 0.000 1.332 660 H CB -0.219 29.728 29.762 0.309 0.000 1.386 660 H HN 0.544 nan 8.280 nan 0.000 0.516 661 F N 1.065 121.025 119.950 0.016 0.000 2.102 661 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 661 F C 1.775 177.314 175.800 -0.434 0.000 1.105 661 F CA 1.289 59.006 58.000 -0.473 0.000 1.239 661 F CB -0.809 37.688 39.000 -0.839 0.000 0.991 661 F HN 0.027 nan 8.300 nan 0.000 0.474 662 Y N -0.133 119.800 120.300 -0.612 0.000 2.274 662 Y HA -0.206 4.344 4.550 -0.000 0.000 0.290 662 Y C 2.317 177.719 175.900 -0.831 0.000 1.145 662 Y CA 1.455 58.991 58.100 -0.941 0.000 1.203 662 Y CB -0.658 37.412 38.460 -0.650 0.000 0.984 662 Y HN 0.233 nan 8.280 nan 0.000 0.533 663 L N -0.073 120.942 121.223 -0.347 0.000 2.046 663 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 663 L C 2.399 179.106 176.870 -0.273 0.000 1.077 663 L CA 1.911 56.518 54.840 -0.388 0.000 0.747 663 L CB -0.835 40.809 42.059 -0.692 0.000 0.896 663 L HN 0.136 nan 8.230 nan 0.000 0.432 664 A N -0.626 122.043 122.820 -0.252 0.000 1.877 664 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 664 A C 2.217 179.782 177.584 -0.031 0.000 1.186 664 A CA 1.873 53.839 52.037 -0.118 0.000 0.620 664 A CB -1.044 18.071 19.000 0.192 0.000 0.822 664 A HN 0.473 nan 8.150 nan 0.000 0.443 665 L N -0.841 120.128 121.223 -0.423 0.000 1.955 665 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 665 L C 2.427 179.285 176.870 -0.021 0.000 1.072 665 L CA 2.175 56.783 54.840 -0.386 0.000 0.755 665 L CB -1.020 40.484 42.059 -0.924 0.000 0.888 665 L HN 0.553 nan 8.230 nan 0.000 0.432 666 Y N -2.618 117.645 120.300 -0.062 0.000 2.207 666 Y HA -0.337 4.213 4.550 -0.000 0.000 0.287 666 Y C 2.383 178.347 175.900 0.106 0.000 1.156 666 Y CA 0.789 58.895 58.100 0.009 0.000 1.182 666 Y CB -0.535 37.905 38.460 -0.034 0.000 0.979 666 Y HN 0.434 nan 8.280 nan 0.000 0.521 667 W N 0.922 122.242 121.300 0.032 0.000 2.381 667 W HA -0.143 4.517 4.660 -0.000 0.000 0.301 667 W C 2.462 179.063 176.519 0.136 0.000 1.205 667 W CA 1.470 58.812 57.345 -0.006 0.000 1.285 667 W CB -0.806 28.526 29.460 -0.213 0.000 1.133 667 W HN -0.018 nan 8.180 nan 0.000 0.521 668 A N 0.056 123.144 122.820 0.447 0.000 1.930 668 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 668 A C 1.930 179.618 177.584 0.173 0.000 1.175 668 A CA 1.817 54.046 52.037 0.319 0.000 0.627 668 A CB -0.676 18.558 19.000 0.389 0.000 0.815 668 A HN 0.513 nan 8.150 nan 0.000 0.443 669 Q N -0.666 119.244 119.800 0.182 0.000 2.083 669 Q HA -0.017 4.323 4.340 -0.000 0.000 0.198 669 Q C 2.446 178.507 176.000 0.102 0.000 0.969 669 Q CA 1.168 57.052 55.803 0.135 0.000 0.838 669 Q CB -0.364 28.465 28.738 0.152 0.000 0.900 669 Q HN 0.658 nan 8.270 nan 0.000 0.436 670 A N 1.083 123.977 122.820 0.123 0.000 1.902 670 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 670 A C 2.071 179.682 177.584 0.045 0.000 1.181 670 A CA 1.124 53.215 52.037 0.089 0.000 0.623 670 A CB -0.664 18.413 19.000 0.129 0.000 0.818 670 A HN 0.280 nan 8.150 nan 0.000 0.443 671 L N -1.068 120.149 121.223 -0.010 0.000 2.141 671 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 671 L C 2.910 179.751 176.870 -0.048 0.000 1.094 671 L CA 0.920 55.666 54.840 -0.157 0.000 0.763 671 L CB -0.322 41.350 42.059 -0.645 0.000 0.908 671 L HN 0.442 nan 8.230 nan 0.000 0.437 672 A N -0.627 122.207 122.820 0.025 0.000 2.072 672 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 672 A C 2.369 179.978 177.584 0.042 0.000 1.156 672 A CA 1.141 53.215 52.037 0.061 0.000 0.701 672 A CB -0.291 18.759 19.000 0.083 0.000 0.816 672 A HN 0.354 nan 8.150 nan 0.000 0.458 673 A N -0.122 122.719 122.820 0.035 0.000 1.984 673 A HA 0.209 4.529 4.320 -0.000 0.000 0.214 673 A C 1.322 178.919 177.584 0.021 0.000 1.173 673 A CA 0.886 52.940 52.037 0.029 0.000 0.673 673 A CB -0.332 18.686 19.000 0.030 0.000 0.830 673 A HN 0.640 nan 8.150 nan 0.000 0.453 674 Q N -0.116 119.693 119.800 0.016 0.000 2.417 674 Q HA 0.422 4.762 4.340 -0.000 0.000 0.241 674 Q C 0.214 176.221 176.000 0.013 0.000 1.008 674 Q CA 0.802 56.612 55.803 0.012 0.000 0.901 674 Q CB 0.152 28.896 28.738 0.009 0.000 1.259 674 Q HN 0.253 nan 8.270 nan 0.000 0.489 675 T N -3.012 111.550 114.554 0.012 0.000 3.043 675 T HA 0.147 4.497 4.350 -0.000 0.000 0.272 675 T C 0.475 175.182 174.700 0.013 0.000 0.990 675 T CA -0.208 61.900 62.100 0.013 0.000 0.897 675 T CB 0.044 68.919 68.868 0.012 0.000 1.111 675 T HN 0.507 nan 8.240 nan 0.000 0.529 676 E N 2.449 122.656 120.200 0.012 0.000 2.187 676 E HA -0.118 4.232 4.350 -0.000 0.000 0.199 676 E C 0.501 177.110 176.600 0.015 0.000 1.004 676 E CA 1.157 57.565 56.400 0.013 0.000 0.813 676 E CB -0.123 29.585 29.700 0.014 0.000 0.736 676 E HN 0.646 nan 8.360 nan 0.000 0.468 677 D N -0.308 120.101 120.400 0.016 0.000 2.358 677 D HA 0.118 4.757 4.640 -0.000 0.000 0.253 677 D C 0.328 176.641 176.300 0.023 0.000 1.288 677 D CA -0.230 53.781 54.000 0.019 0.000 0.950 677 D CB 0.636 41.449 40.800 0.022 0.000 1.197 677 D HN -0.175 nan 8.370 nan 0.000 0.550 678 K N 1.377 121.788 120.400 0.019 0.000 2.152 678 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 678 K C 1.451 178.065 176.600 0.024 0.000 1.048 678 K CA 1.204 57.502 56.287 0.019 0.000 0.933 678 K CB 0.426 32.934 32.500 0.013 0.000 0.721 678 K HN 0.483 nan 8.250 nan 0.000 0.447 679 E N 0.972 121.185 120.200 0.023 0.000 2.038 679 E HA -0.188 4.161 4.350 -0.000 0.000 0.195 679 E C 2.112 178.740 176.600 0.047 0.000 1.000 679 E CA 1.108 57.521 56.400 0.022 0.000 0.803 679 E CB -0.183 29.527 29.700 0.017 0.000 0.750 679 E HN 0.234 nan 8.360 nan 0.000 0.448 680 L N 0.904 122.171 121.223 0.074 0.000 2.046 680 L HA -0.247 4.092 4.340 -0.000 0.000 0.208 680 L C 2.899 179.892 176.870 0.205 0.000 1.077 680 L CA 1.348 56.284 54.840 0.160 0.000 0.747 680 L CB -0.458 41.649 42.059 0.081 0.000 0.896 680 L HN 0.232 nan 8.230 nan 0.000 0.432 681 Q N 0.254 120.112 119.800 0.096 0.000 2.030 681 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 681 Q C 2.274 178.324 176.000 0.083 0.000 0.986 681 Q CA 2.203 58.055 55.803 0.081 0.000 0.843 681 Q CB -0.166 28.596 28.738 0.041 0.000 0.904 681 Q HN 0.497 nan 8.270 nan 0.000 0.420 682 A N 0.601 123.449 122.820 0.047 0.000 1.940 682 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 682 A C 2.004 179.578 177.584 -0.016 0.000 1.176 682 A CA 1.802 53.847 52.037 0.013 0.000 0.631 682 A CB -0.754 18.245 19.000 -0.002 0.000 0.814 682 A HN 0.653 nan 8.150 nan 0.000 0.446 683 Q N -1.634 118.155 119.800 -0.018 0.000 2.046 683 Q HA -0.109 4.230 4.340 -0.000 0.000 0.200 683 Q C 1.001 176.818 176.000 -0.304 0.000 0.975 683 Q CA 1.443 57.142 55.803 -0.173 0.000 0.836 683 Q CB -0.101 28.498 28.738 -0.232 0.000 0.896 683 Q HN 0.662 nan 8.270 nan 0.000 0.428 684 F N -0.227 119.626 119.950 -0.162 0.000 2.773 684 F HA 0.084 4.611 4.527 -0.000 0.000 0.304 684 F C 1.957 177.691 175.800 -0.110 0.000 1.129 684 F CA 0.417 58.302 58.000 -0.191 0.000 1.378 684 F CB 0.110 38.971 39.000 -0.230 0.000 1.095 684 F HN 0.027 nan 8.300 nan 0.000 0.565 685 T N -0.519 114.061 114.554 0.043 0.000 2.668 685 T HA -0.133 4.217 4.350 -0.000 0.000 0.262 685 T C 2.498 177.201 174.700 0.006 0.000 1.045 685 T CA 1.645 63.764 62.100 0.031 0.000 1.152 685 T CB -0.811 68.064 68.868 0.013 0.000 0.864 685 T HN 0.432 nan 8.240 nan 0.000 0.419 686 G N 1.768 110.546 108.800 -0.036 0.000 2.422 686 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.218 686 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.218 686 G C 1.479 176.358 174.900 -0.035 0.000 1.146 686 G CA 0.425 45.501 45.100 -0.040 0.000 0.769 686 G HN 0.351 nan 8.290 nan 0.000 0.547 687 I N 1.934 122.458 120.570 -0.076 0.000 2.142 687 I HA -0.143 4.027 4.170 -0.000 0.000 0.240 687 I C 3.303 179.447 176.117 0.046 0.000 1.078 687 I CA 1.268 62.533 61.300 -0.058 0.000 1.343 687 I CB -1.448 36.435 38.000 -0.195 0.000 1.046 687 I HN 0.264 nan 8.210 nan 0.000 0.405 688 A N 0.915 123.780 122.820 0.074 0.000 1.892 688 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 688 A C 2.485 180.120 177.584 0.084 0.000 1.188 688 A CA 2.321 54.421 52.037 0.105 0.000 0.631 688 A CB -0.689 18.376 19.000 0.108 0.000 0.822 688 A HN 0.456 nan 8.150 nan 0.000 0.447 689 K N -0.415 120.021 120.400 0.061 0.000 2.026 689 K HA -0.064 4.255 4.320 -0.000 0.000 0.208 689 K C 2.187 178.824 176.600 0.062 0.000 1.048 689 K CA 1.277 57.596 56.287 0.055 0.000 0.929 689 K CB -0.397 32.124 32.500 0.035 0.000 0.713 689 K HN 0.336 nan 8.250 nan 0.000 0.439 690 A N 1.615 124.470 122.820 0.059 0.000 1.892 690 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 690 A C 2.168 179.821 177.584 0.115 0.000 1.188 690 A CA 1.684 53.763 52.037 0.071 0.000 0.631 690 A CB -0.757 18.279 19.000 0.060 0.000 0.822 690 A HN 0.359 nan 8.150 nan 0.000 0.447 691 L N -1.070 120.244 121.223 0.152 0.000 2.093 691 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 691 L C 2.772 179.752 176.870 0.184 0.000 1.085 691 L CA 1.579 56.554 54.840 0.224 0.000 0.755 691 L CB -0.892 41.284 42.059 0.196 0.000 0.904 691 L HN 0.353 nan 8.230 nan 0.000 0.435 692 T N -0.782 113.842 114.554 0.117 0.000 2.674 692 T HA -0.168 4.181 4.350 -0.000 0.000 0.265 692 T C 1.433 176.193 174.700 0.099 0.000 1.039 692 T CA 1.508 63.671 62.100 0.104 0.000 1.150 692 T CB -0.203 68.718 68.868 0.088 0.000 0.864 692 T HN 0.328 nan 8.240 nan 0.000 0.427 693 D N 1.307 121.755 120.400 0.080 0.000 2.264 693 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 693 D C 1.314 177.643 176.300 0.048 0.000 0.966 693 D CA 0.714 54.749 54.000 0.059 0.000 0.864 693 D CB -0.211 40.616 40.800 0.045 0.000 0.933 693 D HN 0.343 nan 8.370 nan 0.000 0.499 694 N N 1.027 119.760 118.700 0.055 0.000 2.279 694 N HA -0.022 4.718 4.740 -0.000 0.000 0.226 694 N C 1.314 176.789 175.510 -0.058 0.000 1.126 694 N CA -0.050 53.004 53.050 0.007 0.000 0.846 694 N CB 0.985 39.481 38.487 0.014 0.000 1.050 694 N HN 0.380 nan 8.380 nan 0.000 0.502 695 E N 1.122 121.334 120.200 0.020 0.000 2.023 695 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 695 E C 0.983 177.489 176.600 -0.156 0.000 1.003 695 E CA 1.569 57.964 56.400 -0.009 0.000 0.809 695 E CB 0.254 30.040 29.700 0.143 0.000 0.755 695 E HN 0.112 nan 8.360 nan 0.000 0.449 696 T N 0.883 115.406 114.554 -0.051 0.000 2.684 696 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 696 T C 1.837 176.478 174.700 -0.098 0.000 1.036 696 T CA 1.695 63.767 62.100 -0.048 0.000 1.148 696 T CB -0.226 68.639 68.868 -0.005 0.000 0.863 696 T HN 0.173 nan 8.240 nan 0.000 0.436 697 K N 0.587 120.926 120.400 -0.102 0.000 2.026 697 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 697 K C 2.246 178.744 176.600 -0.170 0.000 1.048 697 K CA 1.276 57.502 56.287 -0.102 0.000 0.929 697 K CB -0.298 32.160 32.500 -0.070 0.000 0.713 697 K HN 0.299 nan 8.250 nan 0.000 0.439 698 I N 0.573 120.962 120.570 -0.302 0.000 2.142 698 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 698 I C 2.199 178.038 176.117 -0.462 0.000 1.078 698 I CA 1.056 62.077 61.300 -0.465 0.000 1.343 698 I CB -0.275 37.160 38.000 -0.942 0.000 1.046 698 I HN -0.002 nan 8.210 nan 0.000 0.405 699 V N 1.209 120.812 119.914 -0.518 0.000 2.469 699 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 699 V C 2.491 178.506 176.094 -0.131 0.000 1.064 699 V CA 2.143 64.270 62.300 -0.289 0.000 1.066 699 V CB -1.442 30.298 31.823 -0.139 0.000 0.667 699 V HN 0.622 nan 8.190 nan 0.000 0.461 700 G N -0.881 107.848 108.800 -0.118 0.000 2.394 700 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 700 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 700 G C 1.474 176.343 174.900 -0.052 0.000 1.165 700 G CA 0.598 45.663 45.100 -0.059 0.000 0.784 700 G HN 0.539 nan 8.290 nan 0.000 0.535 701 E N -0.013 120.141 120.200 -0.076 0.000 2.077 701 E HA -0.031 4.318 4.350 -0.000 0.000 0.193 701 E C 2.565 179.149 176.600 -0.028 0.000 0.989 701 E CA 0.524 56.896 56.400 -0.047 0.000 0.800 701 E CB -0.154 29.516 29.700 -0.051 0.000 0.746 701 E HN 0.376 nan 8.360 nan 0.000 0.452 702 L N 0.383 121.576 121.223 -0.049 0.000 2.056 702 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 702 L C 2.591 179.473 176.870 0.020 0.000 1.078 702 L CA 0.944 55.778 54.840 -0.009 0.000 0.749 702 L CB -0.489 41.548 42.059 -0.037 0.000 0.901 702 L HN 0.144 nan 8.230 nan 0.000 0.433 703 A N 0.209 123.037 122.820 0.014 0.000 1.972 703 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 703 A C 2.480 180.087 177.584 0.039 0.000 1.169 703 A CA 1.606 53.670 52.037 0.045 0.000 0.635 703 A CB -0.629 18.393 19.000 0.036 0.000 0.810 703 A HN 0.401 nan 8.150 nan 0.000 0.446 704 A N -0.521 122.310 122.820 0.017 0.000 2.121 704 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 704 A C 2.147 179.740 177.584 0.014 0.000 1.154 704 A CA 1.530 53.574 52.037 0.011 0.000 0.679 704 A CB -0.606 18.395 19.000 0.001 0.000 0.795 704 A HN 1.022 nan 8.150 nan 0.000 0.458 705 A N -1.066 121.769 122.820 0.026 0.000 2.238 705 A HA 0.204 4.524 4.320 -0.000 0.000 0.208 705 A C 1.095 178.693 177.584 0.023 0.000 1.177 705 A CA 0.075 52.126 52.037 0.023 0.000 0.804 705 A CB -0.082 18.946 19.000 0.045 0.000 0.823 705 A HN 0.665 nan 8.150 nan 0.000 0.482 706 Q N -2.469 117.362 119.800 0.051 0.000 2.185 706 Q HA 0.485 4.825 4.340 -0.000 0.000 0.225 706 Q C 1.097 177.115 176.000 0.030 0.000 0.983 706 Q CA 0.033 55.883 55.803 0.078 0.000 0.950 706 Q CB 0.698 29.536 28.738 0.166 0.000 1.176 706 Q HN 0.596 nan 8.270 nan 0.000 0.510 707 G N 0.362 109.178 108.800 0.025 0.000 2.189 707 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.267 707 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.267 707 G C -0.237 174.646 174.900 -0.029 0.000 0.975 707 G CA 0.480 45.576 45.100 -0.008 0.000 0.644 707 G HN 0.387 nan 8.290 nan 0.000 0.537 708 K N 0.661 121.033 120.400 -0.047 0.000 2.259 708 K HA 0.523 4.842 4.320 -0.000 0.000 0.252 708 K C -2.841 173.694 176.600 -0.108 0.000 0.936 708 K CA -2.267 53.980 56.287 -0.066 0.000 0.810 708 K CB 2.323 34.786 32.500 -0.061 0.000 1.143 708 K HN -0.074 nan 8.250 nan 0.000 0.427 709 P HA 0.024 nan 4.420 nan 0.000 0.268 709 P C -0.975 176.229 177.300 -0.160 0.000 1.205 709 P CA -0.268 62.762 63.100 -0.116 0.000 0.771 709 P CB 0.620 32.276 31.700 -0.074 0.000 0.858 710 V N 3.277 123.055 119.914 -0.227 0.000 2.495 710 V HA 0.362 4.482 4.120 -0.000 0.000 0.298 710 V C -0.169 175.839 176.094 -0.143 0.000 1.031 710 V CA -0.274 61.871 62.300 -0.257 0.000 0.871 710 V CB 1.935 33.417 31.823 -0.568 0.000 0.988 710 V HN 0.484 nan 8.190 nan 0.000 0.432 711 D N 4.315 124.661 120.400 -0.089 0.000 2.471 711 D HA 0.389 5.029 4.640 -0.000 0.000 0.245 711 D C 0.321 176.604 176.300 -0.027 0.000 1.116 711 D CA -0.380 53.595 54.000 -0.042 0.000 0.853 711 D CB 1.773 42.555 40.800 -0.031 0.000 1.123 711 D HN 0.604 nan 8.370 nan 0.000 0.540 712 I N 0.907 121.472 120.570 -0.009 0.000 3.927 712 I HA 0.469 4.639 4.170 -0.000 0.000 0.332 712 I C 0.713 176.825 176.117 -0.009 0.000 1.485 712 I CA -0.591 60.698 61.300 -0.019 0.000 1.131 712 I CB 0.256 38.238 38.000 -0.030 0.000 1.092 712 I HN 0.355 nan 8.210 nan 0.000 0.410 713 A N 1.132 123.958 122.820 0.009 0.000 2.610 713 A HA 0.170 4.489 4.320 -0.000 0.000 0.299 713 A C 0.719 178.330 177.584 0.046 0.000 1.487 713 A CA 0.718 52.771 52.037 0.027 0.000 0.743 713 A CB -1.955 17.060 19.000 0.024 0.000 1.070 713 A HN 1.759 nan 8.150 nan 0.000 0.439 714 G N -2.769 106.067 108.800 0.062 0.000 2.369 714 G HA2 0.460 4.420 3.960 -0.000 0.000 0.295 714 G HA3 0.460 4.420 3.960 -0.000 0.000 0.295 714 G C -0.447 174.528 174.900 0.125 0.000 1.298 714 G CA 0.284 45.444 45.100 0.099 0.000 0.940 714 G HN 1.573 nan 8.290 nan 0.000 0.536 715 Y N -1.593 118.683 120.300 -0.041 0.000 3.260 715 Y HA 0.350 4.900 4.550 -0.000 0.000 0.202 715 Y C 2.411 178.177 175.900 -0.222 0.000 0.962 715 Y CA 0.812 58.804 58.100 -0.181 0.000 1.582 715 Y CB -0.171 38.105 38.460 -0.306 0.000 1.478 715 Y HN 0.443 nan 8.280 nan 0.000 0.384 716 Y N -0.799 119.600 120.300 0.165 0.000 2.457 716 Y HA 0.037 4.587 4.550 -0.000 0.000 0.292 716 Y C 0.652 176.602 175.900 0.082 0.000 1.125 716 Y CA 1.692 59.829 58.100 0.062 0.000 1.254 716 Y CB 0.190 38.713 38.460 0.106 0.000 1.012 716 Y HN 0.239 nan 8.280 nan 0.000 0.555 717 H N -0.028 119.105 119.070 0.105 0.000 2.597 717 H HA 0.259 4.815 4.556 -0.000 0.000 0.225 717 H C -2.853 172.503 175.328 0.046 0.000 1.422 717 H CA -2.583 53.492 56.048 0.045 0.000 1.335 717 H CB 0.470 30.228 29.762 -0.007 0.000 1.783 717 H HN -0.121 nan 8.280 nan 0.000 0.513 718 P HA 0.015 nan 4.420 nan 0.000 0.273 718 P C 0.019 177.247 177.300 -0.121 0.000 1.250 718 P CA -0.348 62.709 63.100 -0.073 0.000 0.793 718 P CB 1.012 32.657 31.700 -0.093 0.000 1.011 719 N N 0.747 119.409 118.700 -0.064 0.000 2.438 719 N HA -0.028 4.712 4.740 -0.000 0.000 0.267 719 N C 1.310 176.786 175.510 -0.058 0.000 1.222 719 N CA 0.442 53.465 53.050 -0.046 0.000 0.930 719 N CB 0.421 38.899 38.487 -0.014 0.000 1.083 719 N HN 0.378 nan 8.380 nan 0.000 0.476 720 T N 0.740 115.284 114.554 -0.017 0.000 2.833 720 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 720 T C 0.976 175.721 174.700 0.074 0.000 1.054 720 T CA 1.111 63.260 62.100 0.082 0.000 1.135 720 T CB 0.055 69.009 68.868 0.143 0.000 0.869 720 T HN 0.439 nan 8.240 nan 0.000 0.466 721 D N 1.601 122.022 120.400 0.036 0.000 2.103 721 D HA 0.046 4.686 4.640 -0.000 0.000 0.199 721 D C 2.261 178.559 176.300 -0.003 0.000 0.978 721 D CA 0.909 54.928 54.000 0.031 0.000 0.829 721 D CB -0.241 40.575 40.800 0.025 0.000 0.981 721 D HN 0.389 nan 8.370 nan 0.000 0.464 722 L N 0.850 122.057 121.223 -0.026 0.000 2.083 722 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 722 L C 2.543 179.367 176.870 -0.078 0.000 1.083 722 L CA 1.055 55.872 54.840 -0.038 0.000 0.752 722 L CB -0.766 41.273 42.059 -0.032 0.000 0.899 722 L HN -0.002 nan 8.230 nan 0.000 0.433 723 T N -1.341 113.109 114.554 -0.174 0.000 2.777 723 T HA -0.180 4.169 4.350 -0.000 0.000 0.266 723 T C 2.178 176.644 174.700 -0.389 0.000 1.040 723 T CA 1.650 63.529 62.100 -0.369 0.000 1.141 723 T CB -0.115 68.306 68.868 -0.743 0.000 0.868 723 T HN 0.270 nan 8.240 nan 0.000 0.444 724 S N 0.466 116.033 115.700 -0.222 0.000 2.382 724 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 724 S C 2.005 176.632 174.600 0.045 0.000 1.027 724 S CA 1.184 59.423 58.200 0.066 0.000 0.991 724 S CB -0.144 63.188 63.200 0.220 0.000 0.823 724 S HN 0.206 nan 8.310 nan 0.000 0.469 725 K N 1.549 121.958 120.400 0.016 0.000 2.097 725 K HA 0.257 4.577 4.320 -0.000 0.000 0.205 725 K C 2.156 178.779 176.600 0.038 0.000 1.050 725 K CA 1.210 57.513 56.287 0.027 0.000 0.938 725 K CB -0.805 31.704 32.500 0.014 0.000 0.718 725 K HN 0.389 nan 8.250 nan 0.000 0.442 726 A N 0.146 122.989 122.820 0.038 0.000 1.929 726 A HA -0.069 4.250 4.320 -0.000 0.000 0.216 726 A C 1.811 179.498 177.584 0.171 0.000 1.176 726 A CA 1.200 53.300 52.037 0.104 0.000 0.628 726 A CB -0.253 18.836 19.000 0.148 0.000 0.816 726 A HN 0.108 nan 8.150 nan 0.000 0.444 727 M N -0.492 119.169 119.600 0.102 0.000 2.595 727 M HA 0.104 4.584 4.480 -0.000 0.000 0.248 727 M C 0.280 176.648 176.300 0.114 0.000 1.119 727 M CA 0.775 56.123 55.300 0.081 0.000 1.079 727 M CB -0.563 32.050 32.600 0.022 0.000 1.472 727 M HN 0.266 nan 8.290 nan 0.000 0.501 728 R N 0.585 121.148 120.500 0.105 0.000 2.738 728 R HA 0.219 4.559 4.340 -0.000 0.000 0.280 728 R C -1.891 174.461 176.300 0.087 0.000 1.456 728 R CA -0.822 55.342 56.100 0.107 0.000 1.612 728 R CB 0.519 30.866 30.300 0.078 0.000 1.286 728 R HN 0.010 nan 8.270 nan 0.000 0.660 729 P HA -0.043 nan 4.420 nan 0.000 0.245 729 P C 0.131 177.466 177.300 0.058 0.000 1.212 729 P CA 0.492 63.631 63.100 0.065 0.000 0.774 729 P CB 0.520 32.258 31.700 0.062 0.000 0.999 730 S N -0.136 115.617 115.700 0.088 0.000 2.404 730 S HA 0.511 4.981 4.470 -0.000 0.000 0.309 730 S C 1.382 176.032 174.600 0.084 0.000 1.076 730 S CA -0.293 57.956 58.200 0.082 0.000 1.095 730 S CB 0.323 63.594 63.200 0.119 0.000 0.972 730 S HN 0.086 nan 8.310 nan 0.000 0.484 731 A N 4.685 127.532 122.820 0.045 0.000 1.933 731 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 731 A C 2.172 179.782 177.584 0.044 0.000 1.175 731 A CA 2.130 54.187 52.037 0.033 0.000 0.628 731 A CB -1.278 17.732 19.000 0.017 0.000 0.814 731 A HN 0.752 nan 8.150 nan 0.000 0.444 732 T N -0.608 113.976 114.554 0.049 0.000 2.708 732 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 732 T C 1.652 176.438 174.700 0.142 0.000 1.037 732 T CA 1.548 63.684 62.100 0.059 0.000 1.146 732 T CB -0.391 68.487 68.868 0.017 0.000 0.865 732 T HN 0.434 nan 8.240 nan 0.000 0.435 733 F N 3.384 123.311 119.950 -0.037 0.000 2.102 733 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 733 F C 2.000 177.827 175.800 0.044 0.000 1.105 733 F CA 0.932 58.938 58.000 0.011 0.000 1.239 733 F CB -0.878 38.119 39.000 -0.004 0.000 0.991 733 F HN 0.089 nan 8.300 nan 0.000 0.474 734 N N 0.872 119.564 118.700 -0.014 0.000 2.149 734 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 734 N C 2.052 177.517 175.510 -0.075 0.000 1.019 734 N CA 1.541 54.511 53.050 -0.132 0.000 0.857 734 N CB -0.928 37.524 38.487 -0.059 0.000 0.997 734 N HN 0.389 nan 8.380 nan 0.000 0.426 735 A N 1.178 123.993 122.820 -0.008 0.000 1.877 735 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 735 A C 2.378 179.961 177.584 -0.001 0.000 1.186 735 A CA 1.896 53.931 52.037 -0.005 0.000 0.620 735 A CB -0.900 18.108 19.000 0.012 0.000 0.822 735 A HN 0.312 nan 8.150 nan 0.000 0.443 736 A N -0.588 122.261 122.820 0.049 0.000 2.024 736 A HA 0.004 4.323 4.320 -0.000 0.000 0.220 736 A C 1.969 179.561 177.584 0.014 0.000 1.164 736 A CA 1.494 53.573 52.037 0.070 0.000 0.643 736 A CB -0.475 18.641 19.000 0.194 0.000 0.806 736 A HN 0.488 nan 8.150 nan 0.000 0.451 737 L N -1.585 119.615 121.223 -0.039 0.000 2.554 737 L HA 0.121 4.461 4.340 -0.000 0.000 0.225 737 L C 2.760 179.565 176.870 -0.110 0.000 1.104 737 L CA 0.414 55.200 54.840 -0.091 0.000 0.866 737 L CB -0.374 41.596 42.059 -0.149 0.000 1.047 737 L HN 0.372 nan 8.230 nan 0.000 0.468 738 A N 1.632 124.399 122.820 -0.089 0.000 1.884 738 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 738 A C 0.065 177.592 177.584 -0.095 0.000 1.197 738 A CA 1.902 53.890 52.037 -0.082 0.000 0.637 738 A CB -1.844 17.121 19.000 -0.060 0.000 0.827 738 A HN 0.278 nan 8.150 nan 0.000 0.450 739 P HA -0.057 nan 4.420 nan 0.000 0.220 739 P C 0.426 177.630 177.300 -0.161 0.000 1.144 739 P CA 0.771 63.796 63.100 -0.124 0.000 0.800 739 P CB -0.049 31.571 31.700 -0.133 0.000 0.772 740 L N 0.000 121.112 121.223 -0.185 0.000 2.949 740 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 740 L CA 0.000 54.711 54.840 -0.216 0.000 0.813 740 L CB 0.000 41.889 42.059 -0.283 0.000 0.961 740 L HN 0.000 nan 8.230 nan 0.000 0.502