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_D 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 TFNAALAPLA 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 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.218 63.200 0.031 0.000 0.593 3 T N 5.471 120.012 114.554 -0.021 0.000 2.870 3 T HA 0.445 4.796 4.350 0.001 0.000 0.300 3 T C -2.692 171.934 174.700 -0.124 0.000 0.989 3 T CA -0.248 61.814 62.100 -0.063 0.000 1.139 3 T CB 0.512 69.351 68.868 -0.047 0.000 0.920 3 T HN 0.183 nan 8.240 nan 0.000 0.537 4 P HA 0.127 nan 4.420 nan 0.000 0.264 4 P C -0.402 176.775 177.300 -0.204 0.000 1.193 4 P CA -0.106 62.715 63.100 -0.463 0.000 0.763 4 P CB 0.311 31.487 31.700 -0.875 0.000 0.810 5 K N 2.694 123.029 120.400 -0.108 0.000 2.318 5 K HA 0.693 5.014 4.320 0.001 0.000 0.249 5 K C -1.102 175.513 176.600 0.024 0.000 0.942 5 K CA -0.859 55.412 56.287 -0.026 0.000 0.808 5 K CB 1.631 34.133 32.500 0.002 0.000 1.189 5 K HN 0.227 nan 8.250 nan 0.000 0.428 6 I N 3.102 123.700 120.570 0.046 0.000 2.406 6 I HA 0.290 4.461 4.170 0.001 0.000 0.290 6 I C -0.603 175.577 176.117 0.104 0.000 0.999 6 I CA -1.285 60.068 61.300 0.088 0.000 1.124 6 I CB 1.702 39.761 38.000 0.099 0.000 1.289 6 I HN 0.539 nan 8.210 nan 0.000 0.441 7 I N 6.460 127.095 120.570 0.107 0.000 2.325 7 I HA 0.178 4.348 4.170 0.001 0.000 0.291 7 I C -0.587 175.613 176.117 0.138 0.000 1.019 7 I CA -0.434 60.927 61.300 0.103 0.000 1.302 7 I CB 0.633 38.671 38.000 0.062 0.000 1.401 7 I HN 0.446 nan 8.210 nan 0.000 0.485 8 Y N 5.272 125.578 120.300 0.009 0.000 2.331 8 Y HA 0.271 4.822 4.550 0.001 0.000 0.338 8 Y C 0.769 176.661 175.900 -0.013 0.000 0.976 8 Y CA -0.705 57.396 58.100 0.001 0.000 1.137 8 Y CB 1.287 39.740 38.460 -0.013 0.000 1.172 8 Y HN 0.654 nan 8.280 nan 0.000 0.478 9 T N 4.375 118.826 114.554 -0.173 0.000 2.814 9 T HA 0.378 4.729 4.350 0.001 0.000 0.297 9 T C -0.558 174.102 174.700 -0.067 0.000 0.956 9 T CA -0.731 61.310 62.100 -0.099 0.000 1.123 9 T CB 0.429 69.222 68.868 -0.126 0.000 0.902 9 T HN 0.345 nan 8.240 nan 0.000 0.528 10 L N 4.860 126.074 121.223 -0.015 0.000 2.265 10 L HA 0.460 4.801 4.340 0.001 0.000 0.288 10 L C 1.302 178.150 176.870 -0.036 0.000 1.058 10 L CA 0.161 54.988 54.840 -0.022 0.000 0.809 10 L CB 0.845 42.889 42.059 -0.026 0.000 1.179 10 L HN 1.167 nan 8.230 nan 0.000 0.429 11 T N -0.909 113.610 114.554 -0.057 0.000 2.482 11 T HA 0.535 4.886 4.350 0.001 0.000 0.211 11 T C -0.258 174.408 174.700 -0.057 0.000 0.922 11 T CA -0.658 61.407 62.100 -0.059 0.000 1.141 11 T CB 0.848 69.664 68.868 -0.087 0.000 2.503 11 T HN 0.365 nan 8.240 nan 0.000 0.487 12 D N 0.147 120.492 120.400 -0.092 0.000 2.423 12 D HA 0.438 5.078 4.640 0.001 0.000 0.235 12 D C 0.260 176.427 176.300 -0.222 0.000 1.011 12 D CA -0.428 53.510 54.000 -0.103 0.000 0.963 12 D CB 2.118 42.906 40.800 -0.020 0.000 1.349 12 D HN 0.797 nan 8.370 nan 0.000 0.508 13 E N 0.232 120.258 120.200 -0.290 0.000 3.425 13 E HA -0.386 3.965 4.350 0.001 0.000 0.407 13 E C 1.366 177.728 176.600 -0.395 0.000 1.572 13 E CA 1.507 57.672 56.400 -0.391 0.000 1.556 13 E CB -1.048 28.475 29.700 -0.294 0.000 1.586 13 E HN 0.538 nan 8.360 nan 0.000 0.451 14 A N 0.929 123.486 122.820 -0.439 0.000 1.859 14 A HA -0.126 4.194 4.320 0.001 0.000 0.217 14 A C -0.378 176.640 177.584 -0.943 0.000 1.198 14 A CA 2.716 54.404 52.037 -0.582 0.000 0.629 14 A CB -1.654 17.065 19.000 -0.469 0.000 0.830 14 A HN 0.379 nan 8.150 nan 0.000 0.446 15 P HA -0.125 nan 4.420 nan 0.000 0.216 15 P C 1.698 178.749 177.300 -0.415 0.000 1.150 15 P CA 1.968 64.477 63.100 -0.985 0.000 0.837 15 P CB -0.152 31.137 31.700 -0.684 0.000 0.786 16 A N -0.648 121.980 122.820 -0.320 0.000 1.902 16 A HA -0.169 4.151 4.320 0.001 0.000 0.217 16 A C 2.233 179.816 177.584 -0.001 0.000 1.181 16 A CA 1.458 53.419 52.037 -0.125 0.000 0.623 16 A CB -1.654 17.287 19.000 -0.098 0.000 0.818 16 A HN 0.109 nan 8.150 nan 0.000 0.443 17 L N -0.834 120.308 121.223 -0.135 0.000 2.017 17 L HA -0.195 4.146 4.340 0.001 0.000 0.208 17 L C 3.132 179.978 176.870 -0.041 0.000 1.073 17 L CA 1.120 55.880 54.840 -0.133 0.000 0.745 17 L CB -0.619 41.184 42.059 -0.425 0.000 0.894 17 L HN 0.433 nan 8.230 nan 0.000 0.432 18 A N -0.457 122.300 122.820 -0.105 0.000 1.940 18 A HA -0.227 4.093 4.320 0.001 0.000 0.219 18 A C 2.332 180.043 177.584 0.213 0.000 1.176 18 A CA 2.411 54.507 52.037 0.099 0.000 0.631 18 A CB -0.971 18.112 19.000 0.137 0.000 0.814 18 A HN 0.419 nan 8.150 nan 0.000 0.446 19 T N -1.293 113.323 114.554 0.104 0.000 2.833 19 T HA -0.159 4.191 4.350 0.001 0.000 0.269 19 T C 1.589 176.278 174.700 -0.018 0.000 1.054 19 T CA 1.656 63.794 62.100 0.063 0.000 1.135 19 T CB -0.457 68.439 68.868 0.047 0.000 0.869 19 T HN 0.589 nan 8.240 nan 0.000 0.466 20 Y N 0.963 121.258 120.300 -0.009 0.000 2.333 20 Y HA -0.106 4.444 4.550 0.001 0.000 0.290 20 Y C 2.925 178.831 175.900 0.011 0.000 1.144 20 Y CA 1.173 59.264 58.100 -0.015 0.000 1.228 20 Y CB -0.236 38.205 38.460 -0.031 0.000 0.985 20 Y HN 0.216 nan 8.280 nan 0.000 0.542 21 S N -0.870 114.960 115.700 0.217 0.000 2.427 21 S HA -0.067 4.403 4.470 0.001 0.000 0.224 21 S C 1.877 176.566 174.600 0.150 0.000 1.047 21 S CA 0.466 58.811 58.200 0.241 0.000 0.953 21 S CB -0.440 63.004 63.200 0.407 0.000 0.824 21 S HN 0.314 nan 8.310 nan 0.000 0.502 22 L N 1.684 122.920 121.223 0.022 0.000 2.131 22 L HA 0.308 4.648 4.340 0.001 0.000 0.206 22 L C 2.160 178.918 176.870 -0.188 0.000 1.087 22 L CA 1.337 56.033 54.840 -0.240 0.000 0.767 22 L CB -0.679 41.136 42.059 -0.407 0.000 0.917 22 L HN 0.397 nan 8.230 nan 0.000 0.441 23 L N -0.190 120.901 121.223 -0.219 0.000 2.042 23 L HA -0.165 4.176 4.340 0.001 0.000 0.210 23 L C -0.283 176.475 176.870 -0.186 0.000 1.076 23 L CA 1.598 56.248 54.840 -0.317 0.000 0.749 23 L CB -1.296 40.559 42.059 -0.341 0.000 0.893 23 L HN 0.250 nan 8.230 nan 0.000 0.432 24 P HA -0.164 nan 4.420 nan 0.000 0.217 24 P C 1.752 179.021 177.300 -0.051 0.000 1.150 24 P CA 1.425 64.475 63.100 -0.084 0.000 0.832 24 P CB 0.094 31.748 31.700 -0.078 0.000 0.787 25 I N -1.365 119.178 120.570 -0.045 0.000 2.202 25 I HA -0.216 3.954 4.170 0.001 0.000 0.242 25 I C 2.236 178.397 176.117 0.075 0.000 1.091 25 I CA 1.384 62.703 61.300 0.032 0.000 1.368 25 I CB -0.546 37.450 38.000 -0.006 0.000 1.058 25 I HN -0.117 nan 8.210 nan 0.000 0.410 26 I N 0.805 121.372 120.570 -0.005 0.000 2.163 26 I HA -0.315 3.856 4.170 0.001 0.000 0.243 26 I C 2.529 178.679 176.117 0.056 0.000 1.085 26 I CA 1.595 62.922 61.300 0.045 0.000 1.347 26 I CB -0.415 37.541 38.000 -0.074 0.000 1.044 26 I HN 0.171 nan 8.210 nan 0.000 0.408 27 K N 0.883 121.277 120.400 -0.009 0.000 2.063 27 K HA -0.165 4.155 4.320 0.001 0.000 0.208 27 K C 2.281 178.895 176.600 0.023 0.000 1.048 27 K CA 1.581 57.864 56.287 -0.008 0.000 0.928 27 K CB -0.320 32.154 32.500 -0.044 0.000 0.713 27 K HN 0.327 nan 8.250 nan 0.000 0.442 28 A N 0.858 123.709 122.820 0.051 0.000 1.902 28 A HA -0.144 4.177 4.320 0.001 0.000 0.217 28 A C 1.895 179.500 177.584 0.036 0.000 1.181 28 A CA 1.346 53.401 52.037 0.030 0.000 0.623 28 A CB -0.640 18.390 19.000 0.050 0.000 0.818 28 A HN 0.195 nan 8.150 nan 0.000 0.443 29 F N 0.689 120.566 119.950 -0.122 0.000 2.325 29 F HA -0.055 4.472 4.527 0.001 0.000 0.299 29 F C 2.696 178.419 175.800 -0.128 0.000 1.090 29 F CA 1.666 59.547 58.000 -0.198 0.000 1.392 29 F CB -0.366 38.121 39.000 -0.856 0.000 1.053 29 F HN 0.378 nan 8.300 nan 0.000 0.521 30 T N -3.980 110.630 114.554 0.093 0.000 3.037 30 T HA 0.197 4.547 4.350 0.001 0.000 0.251 30 T C 2.346 177.066 174.700 0.034 0.000 1.079 30 T CA 0.593 62.736 62.100 0.072 0.000 1.067 30 T CB -0.595 68.325 68.868 0.087 0.000 0.948 30 T HN 0.203 nan 8.240 nan 0.000 0.496 31 G N 2.646 111.451 108.800 0.009 0.000 2.529 31 G HA2 -0.302 3.659 3.960 0.001 0.000 0.219 31 G HA3 -0.302 3.659 3.960 0.001 0.000 0.219 31 G C 1.882 176.768 174.900 -0.023 0.000 1.177 31 G CA 1.571 46.660 45.100 -0.019 0.000 0.773 31 G HN 0.745 nan 8.290 nan 0.000 0.573 32 S N -0.241 115.442 115.700 -0.028 0.000 2.547 32 S HA 0.070 4.540 4.470 0.001 0.000 0.235 32 S C 1.864 176.465 174.600 0.002 0.000 0.980 32 S CA 1.372 59.556 58.200 -0.028 0.000 0.941 32 S CB -0.015 63.156 63.200 -0.049 0.000 0.763 32 S HN 0.142 nan 8.310 nan 0.000 0.532 33 S N 0.590 116.300 115.700 0.016 0.000 2.597 33 S HA 0.489 4.960 4.470 0.001 0.000 0.224 33 S C 1.112 175.715 174.600 0.006 0.000 0.955 33 S CA 0.117 58.331 58.200 0.023 0.000 0.933 33 S CB 0.096 63.321 63.200 0.042 0.000 0.788 33 S HN 1.044 nan 8.310 nan 0.000 0.488 34 G N 1.999 110.795 108.800 -0.008 0.000 2.225 34 G HA2 -0.240 3.721 3.960 0.001 0.000 0.264 34 G HA3 -0.240 3.721 3.960 0.001 0.000 0.264 34 G C -0.178 174.697 174.900 -0.042 0.000 1.060 34 G CA -0.080 45.007 45.100 -0.022 0.000 0.833 34 G HN 0.517 nan 8.290 nan 0.000 0.498 35 I N 0.217 120.770 120.570 -0.029 0.000 2.509 35 I HA 0.679 4.849 4.170 0.001 0.000 0.293 35 I C 0.410 176.512 176.117 -0.026 0.000 1.020 35 I CA -0.870 60.408 61.300 -0.036 0.000 1.088 35 I CB 2.159 40.157 38.000 -0.004 0.000 1.267 35 I HN 0.295 nan 8.210 nan 0.000 0.430 36 A N 6.102 128.902 122.820 -0.033 0.000 2.318 36 A HA 0.774 5.095 4.320 0.001 0.000 0.324 36 A C -0.820 176.762 177.584 -0.003 0.000 1.170 36 A CA -0.502 51.524 52.037 -0.019 0.000 0.810 36 A CB 1.268 20.254 19.000 -0.023 0.000 1.198 36 A HN 0.438 nan 8.150 nan 0.000 0.484 37 V N 3.537 123.451 119.914 0.000 0.000 2.357 37 V HA 0.338 4.459 4.120 0.001 0.000 0.284 37 V C -0.137 175.965 176.094 0.013 0.000 1.018 37 V CA -0.350 61.959 62.300 0.014 0.000 0.841 37 V CB 1.021 32.838 31.823 -0.010 0.000 0.991 37 V HN 0.992 nan 8.190 nan 0.000 0.437 38 E N 2.368 122.590 120.200 0.037 0.000 2.221 38 E HA 0.633 4.983 4.350 0.001 0.000 0.268 38 E C -0.370 176.266 176.600 0.060 0.000 0.933 38 E CA -0.710 55.710 56.400 0.033 0.000 0.809 38 E CB 2.383 32.101 29.700 0.030 0.000 1.190 38 E HN 0.733 nan 8.360 nan 0.000 0.406 39 T N -0.155 114.425 114.554 0.043 0.000 2.925 39 T HA 0.612 4.963 4.350 0.001 0.000 0.285 39 T C -0.103 174.620 174.700 0.039 0.000 1.021 39 T CA -1.096 61.038 62.100 0.057 0.000 1.042 39 T CB 1.335 70.219 68.868 0.027 0.000 1.037 39 T HN 0.163 nan 8.240 nan 0.000 0.481 40 R N 1.602 122.124 120.500 0.036 0.000 2.538 40 R HA 0.398 4.738 4.340 0.001 0.000 0.292 40 R C -1.567 174.743 176.300 0.016 0.000 1.008 40 R CA -0.773 55.341 56.100 0.024 0.000 0.896 40 R CB 1.759 32.071 30.300 0.019 0.000 1.187 40 R HN 0.837 nan 8.270 nan 0.000 0.440 41 D N 3.631 124.044 120.400 0.021 0.000 2.339 41 D HA 0.164 4.804 4.640 0.001 0.000 0.241 41 D C 0.844 177.155 176.300 0.019 0.000 1.183 41 D CA -0.325 53.688 54.000 0.022 0.000 0.859 41 D CB 0.531 41.355 40.800 0.040 0.000 1.067 41 D HN 0.619 nan 8.370 nan 0.000 0.484 42 I N 0.934 121.509 120.570 0.008 0.000 3.833 42 I HA 0.249 4.419 4.170 0.001 0.000 0.328 42 I C 0.304 176.427 176.117 0.009 0.000 1.554 42 I CA -0.710 60.593 61.300 0.006 0.000 1.116 42 I CB 0.106 38.102 38.000 -0.008 0.000 1.182 42 I HN 0.132 nan 8.210 nan 0.000 0.459 43 S N 1.120 116.833 115.700 0.021 0.000 2.584 43 S HA 0.113 4.584 4.470 0.001 0.000 0.270 43 S C 1.216 175.841 174.600 0.042 0.000 1.346 43 S CA -0.638 57.583 58.200 0.035 0.000 1.018 43 S CB 1.550 64.785 63.200 0.058 0.000 0.899 43 S HN 0.415 nan 8.310 nan 0.000 0.542 44 L N 1.557 122.811 121.223 0.052 0.000 2.012 44 L HA -0.103 4.237 4.340 0.001 0.000 0.210 44 L C 2.589 179.461 176.870 0.002 0.000 1.073 44 L CA 2.755 57.605 54.840 0.016 0.000 0.748 44 L CB -2.069 39.988 42.059 -0.004 0.000 0.891 44 L HN 0.984 nan 8.230 nan 0.000 0.431 45 A N -0.148 122.695 122.820 0.038 0.000 1.877 45 A HA -0.129 4.191 4.320 0.001 0.000 0.216 45 A C 2.386 179.953 177.584 -0.028 0.000 1.186 45 A CA 1.697 53.726 52.037 -0.013 0.000 0.620 45 A CB -1.358 17.693 19.000 0.085 0.000 0.822 45 A HN 0.529 nan 8.150 nan 0.000 0.443 46 G N -0.643 108.185 108.800 0.047 0.000 2.418 46 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 46 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 46 G C 1.752 176.673 174.900 0.034 0.000 1.158 46 G CA 0.872 46.001 45.100 0.049 0.000 0.771 46 G HN 0.574 nan 8.290 nan 0.000 0.545 47 R N -0.324 120.195 120.500 0.032 0.000 2.115 47 R HA 0.130 4.470 4.340 0.001 0.000 0.230 47 R C 2.562 178.899 176.300 0.063 0.000 1.111 47 R CA 0.536 56.658 56.100 0.036 0.000 0.976 47 R CB -0.347 29.970 30.300 0.027 0.000 0.870 47 R HN 0.333 nan 8.270 nan 0.000 0.445 48 L N 0.342 121.608 121.223 0.071 0.000 2.005 48 L HA -0.156 4.185 4.340 0.001 0.000 0.207 48 L C 2.351 179.330 176.870 0.180 0.000 1.072 48 L CA 1.287 56.223 54.840 0.160 0.000 0.744 48 L CB -0.346 41.763 42.059 0.084 0.000 0.895 48 L HN 0.145 nan 8.230 nan 0.000 0.433 49 I N 0.033 120.633 120.570 0.049 0.000 2.208 49 I HA -0.303 3.868 4.170 0.001 0.000 0.245 49 I C 2.701 178.893 176.117 0.124 0.000 1.097 49 I CA 1.262 62.599 61.300 0.062 0.000 1.363 49 I CB -0.472 37.500 38.000 -0.047 0.000 1.051 49 I HN 0.216 nan 8.210 nan 0.000 0.413 50 A N 0.025 122.894 122.820 0.081 0.000 2.067 50 A HA -0.142 4.178 4.320 0.001 0.000 0.219 50 A C 2.267 179.859 177.584 0.013 0.000 1.158 50 A CA 2.001 54.071 52.037 0.055 0.000 0.661 50 A CB -0.793 18.228 19.000 0.034 0.000 0.801 50 A HN 0.413 nan 8.150 nan 0.000 0.452 51 T N -1.391 113.159 114.554 -0.008 0.000 3.054 51 T HA 0.150 4.500 4.350 0.001 0.000 0.259 51 T C 0.032 174.443 174.700 -0.482 0.000 1.092 51 T CA 0.594 62.545 62.100 -0.248 0.000 1.121 51 T CB -0.228 68.426 68.868 -0.356 0.000 0.912 51 T HN 0.378 nan 8.240 nan 0.000 0.489 52 F N 0.775 120.730 119.950 0.008 0.000 2.627 52 F HA 0.362 4.889 4.527 0.001 0.000 0.329 52 F C -2.027 173.868 175.800 0.159 0.000 1.378 52 F CA -2.504 55.541 58.000 0.076 0.000 1.134 52 F CB 1.055 40.040 39.000 -0.025 0.000 1.229 52 F HN -0.025 nan 8.300 nan 0.000 0.537 53 P HA -0.241 nan 4.420 nan 0.000 0.216 53 P C 1.675 179.070 177.300 0.159 0.000 1.150 53 P CA 1.443 64.637 63.100 0.157 0.000 0.843 53 P CB 0.148 31.895 31.700 0.079 0.000 0.787 54 E N -0.879 119.412 120.200 0.153 0.000 2.338 54 E HA -0.195 4.155 4.350 0.001 0.000 0.197 54 E C 0.814 177.405 176.600 -0.014 0.000 1.007 54 E CA 1.266 57.689 56.400 0.037 0.000 0.849 54 E CB -0.950 28.722 29.700 -0.048 0.000 0.774 54 E HN 0.359 nan 8.360 nan 0.000 0.506 55 Y N 0.710 121.077 120.300 0.112 0.000 2.457 55 Y HA 0.335 4.885 4.550 0.001 0.000 0.263 55 Y C 0.944 176.890 175.900 0.076 0.000 1.164 55 Y CA -0.053 58.100 58.100 0.089 0.000 1.274 55 Y CB 0.515 39.032 38.460 0.095 0.000 1.097 55 Y HN -0.102 nan 8.280 nan 0.000 0.523 56 L N -0.575 120.773 121.223 0.207 0.000 2.313 56 L HA 0.493 4.834 4.340 0.001 0.000 0.268 56 L C 0.524 177.432 176.870 0.063 0.000 1.010 56 L CA -1.226 53.695 54.840 0.135 0.000 0.814 56 L CB 1.561 43.725 42.059 0.176 0.000 1.304 56 L HN -0.056 nan 8.230 nan 0.000 0.441 57 T N -4.093 110.470 114.554 0.016 0.000 2.828 57 T HA 0.091 4.441 4.350 0.001 0.000 0.290 57 T C 0.627 175.336 174.700 0.015 0.000 1.019 57 T CA -0.668 61.431 62.100 -0.001 0.000 1.031 57 T CB 0.947 69.795 68.868 -0.035 0.000 1.001 57 T HN 0.512 nan 8.240 nan 0.000 0.531 58 D N 0.998 121.406 120.400 0.014 0.000 2.182 58 D HA -0.106 4.534 4.640 0.001 0.000 0.201 58 D C 2.245 178.562 176.300 0.029 0.000 0.986 58 D CA 2.031 56.044 54.000 0.023 0.000 0.847 58 D CB -0.526 40.284 40.800 0.016 0.000 0.942 58 D HN 0.885 nan 8.370 nan 0.000 0.467 59 T N -2.457 112.107 114.554 0.016 0.000 3.081 59 T HA 0.019 4.369 4.350 0.001 0.000 0.255 59 T C 1.718 176.444 174.700 0.042 0.000 1.113 59 T CA 0.344 62.459 62.100 0.025 0.000 1.082 59 T CB 0.075 68.949 68.868 0.010 0.000 0.939 59 T HN 0.100 nan 8.240 nan 0.000 0.506 60 Q N 0.608 120.423 119.800 0.026 0.000 2.354 60 Q HA 0.173 4.513 4.340 0.001 0.000 0.203 60 Q C 0.313 176.436 176.000 0.205 0.000 0.933 60 Q CA 0.349 56.197 55.803 0.075 0.000 0.901 60 Q CB 0.143 28.814 28.738 -0.110 0.000 1.007 60 Q HN 0.530 nan 8.270 nan 0.000 0.495 61 K N 1.767 122.249 120.400 0.136 0.000 2.382 61 K HA 0.204 4.524 4.320 0.001 0.000 0.275 61 K C 0.004 176.678 176.600 0.123 0.000 1.009 61 K CA 0.235 56.602 56.287 0.132 0.000 0.970 61 K CB 0.513 33.068 32.500 0.092 0.000 0.934 61 K HN 0.146 nan 8.250 nan 0.000 0.479 62 I N -2.256 118.383 120.570 0.114 0.000 2.969 62 I HA 0.352 4.523 4.170 0.001 0.000 0.307 62 I C -0.136 176.022 176.117 0.069 0.000 1.149 62 I CA -1.130 60.227 61.300 0.095 0.000 1.008 62 I CB 2.176 40.242 38.000 0.110 0.000 1.232 62 I HN 0.557 nan 8.210 nan 0.000 0.435 63 S N 1.096 116.829 115.700 0.055 0.000 2.579 63 S HA 0.070 4.541 4.470 0.001 0.000 0.275 63 S C -0.037 174.583 174.600 0.034 0.000 1.345 63 S CA -0.374 57.849 58.200 0.039 0.000 1.031 63 S CB 0.808 64.028 63.200 0.034 0.000 0.892 63 S HN 0.750 nan 8.310 nan 0.000 0.529 64 D N 0.626 121.039 120.400 0.023 0.000 2.517 64 D HA 0.174 4.814 4.640 0.001 0.000 0.220 64 D C 0.116 176.424 176.300 0.014 0.000 1.158 64 D CA -0.441 53.568 54.000 0.014 0.000 0.992 64 D CB -0.121 40.679 40.800 0.001 0.000 1.058 64 D HN 0.421 nan 8.370 nan 0.000 0.516 65 D N 2.485 122.896 120.400 0.019 0.000 2.219 65 D HA -0.140 4.501 4.640 0.001 0.000 0.205 65 D C 1.978 178.283 176.300 0.009 0.000 0.970 65 D CA 0.269 54.279 54.000 0.016 0.000 0.851 65 D CB 0.271 41.083 40.800 0.020 0.000 0.943 65 D HN 0.442 nan 8.370 nan 0.000 0.488 66 L N 0.481 121.708 121.223 0.006 0.000 2.027 66 L HA -0.146 4.195 4.340 0.001 0.000 0.206 66 L C 2.197 179.067 176.870 -0.000 0.000 1.074 66 L CA 1.248 56.089 54.840 0.001 0.000 0.745 66 L CB -0.184 41.875 42.059 0.001 0.000 0.898 66 L HN -0.021 nan 8.230 nan 0.000 0.433 67 A N -0.552 122.267 122.820 -0.001 0.000 1.902 67 A HA -0.277 4.044 4.320 0.001 0.000 0.217 67 A C 2.180 179.765 177.584 0.002 0.000 1.181 67 A CA 1.806 53.842 52.037 -0.002 0.000 0.623 67 A CB -0.552 18.445 19.000 -0.004 0.000 0.818 67 A HN 0.582 nan 8.150 nan 0.000 0.443 68 E N -0.149 120.054 120.200 0.005 0.000 2.072 68 E HA -0.149 4.201 4.350 0.001 0.000 0.191 68 E C 1.939 178.544 176.600 0.008 0.000 0.985 68 E CA 0.985 57.391 56.400 0.009 0.000 0.801 68 E CB -0.195 29.512 29.700 0.013 0.000 0.750 68 E HN 0.622 nan 8.360 nan 0.000 0.452 69 L N 0.186 121.412 121.223 0.005 0.000 2.083 69 L HA -0.117 4.224 4.340 0.001 0.000 0.209 69 L C 2.603 179.471 176.870 -0.003 0.000 1.083 69 L CA 1.181 56.022 54.840 0.001 0.000 0.752 69 L CB -0.596 41.460 42.059 -0.004 0.000 0.899 69 L HN 0.308 nan 8.230 nan 0.000 0.433 70 G N -0.015 108.782 108.800 -0.004 0.000 2.440 70 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 70 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 70 G C 1.682 176.580 174.900 -0.003 0.000 1.154 70 G CA 0.655 45.752 45.100 -0.006 0.000 0.767 70 G HN 0.324 nan 8.290 nan 0.000 0.552 71 K N -0.447 119.954 120.400 0.002 0.000 2.057 71 K HA 0.048 4.368 4.320 0.001 0.000 0.206 71 K C 2.359 178.964 176.600 0.008 0.000 1.050 71 K CA 0.863 57.153 56.287 0.005 0.000 0.935 71 K CB -0.328 32.177 32.500 0.008 0.000 0.715 71 K HN 0.255 nan 8.250 nan 0.000 0.439 72 L N 1.455 122.684 121.223 0.010 0.000 2.079 72 L HA -0.132 4.209 4.340 0.001 0.000 0.210 72 L C 2.161 179.037 176.870 0.010 0.000 1.081 72 L CA 1.698 56.548 54.840 0.016 0.000 0.752 72 L CB -0.634 41.437 42.059 0.019 0.000 0.896 72 L HN 0.138 nan 8.230 nan 0.000 0.433 73 A N -1.495 121.323 122.820 -0.004 0.000 2.131 73 A HA -0.170 4.151 4.320 0.001 0.000 0.220 73 A C 1.979 179.556 177.584 -0.012 0.000 1.158 73 A CA 1.797 53.823 52.037 -0.017 0.000 0.665 73 A CB -1.164 17.818 19.000 -0.029 0.000 0.795 73 A HN 0.626 nan 8.150 nan 0.000 0.460 74 T N -2.234 112.318 114.554 -0.003 0.000 3.186 74 T HA 0.278 4.628 4.350 0.001 0.000 0.257 74 T C 0.476 175.182 174.700 0.010 0.000 1.029 74 T CA 0.405 62.505 62.100 0.000 0.000 0.916 74 T CB -0.733 68.135 68.868 0.000 0.000 1.041 74 T HN 0.486 nan 8.240 nan 0.000 0.562 75 T N -1.343 113.222 114.554 0.018 0.000 2.888 75 T HA 0.541 4.891 4.350 0.001 0.000 0.284 75 T C -2.336 172.389 174.700 0.041 0.000 1.017 75 T CA -2.019 60.099 62.100 0.029 0.000 1.022 75 T CB 2.050 70.941 68.868 0.038 0.000 1.013 75 T HN -0.268 nan 8.240 nan 0.000 0.465 76 P HA -0.017 nan 4.420 nan 0.000 0.218 76 P C 0.838 178.198 177.300 0.100 0.000 1.149 76 P CA 0.855 63.988 63.100 0.055 0.000 0.817 76 P CB 0.056 31.773 31.700 0.029 0.000 0.785 77 D N -0.667 119.802 120.400 0.114 0.000 2.340 77 D HA 0.067 4.708 4.640 0.001 0.000 0.220 77 D C 0.308 176.721 176.300 0.188 0.000 1.039 77 D CA -0.179 53.937 54.000 0.194 0.000 0.866 77 D CB -0.555 40.373 40.800 0.213 0.000 0.913 77 D HN -0.045 nan 8.370 nan 0.000 0.523 78 A N 0.697 123.587 122.820 0.117 0.000 2.520 78 A HA 0.280 4.601 4.320 0.001 0.000 0.245 78 A C 0.200 177.827 177.584 0.071 0.000 1.072 78 A CA -0.065 52.018 52.037 0.076 0.000 0.761 78 A CB 0.107 19.123 19.000 0.026 0.000 1.004 78 A HN 0.316 nan 8.150 nan 0.000 0.499 79 N N 2.417 121.167 118.700 0.083 0.000 2.621 79 N HA 0.384 5.125 4.740 0.001 0.000 0.271 79 N C -1.655 173.930 175.510 0.125 0.000 1.181 79 N CA -0.235 52.881 53.050 0.110 0.000 0.805 79 N CB 0.651 39.243 38.487 0.174 0.000 1.351 79 N HN 0.533 nan 8.380 nan 0.000 0.539 80 I N 3.524 124.162 120.570 0.112 0.000 2.465 80 I HA 0.474 4.645 4.170 0.001 0.000 0.291 80 I C 0.076 176.272 176.117 0.133 0.000 1.014 80 I CA -0.753 60.596 61.300 0.082 0.000 1.093 80 I CB 2.199 40.200 38.000 0.001 0.000 1.267 80 I HN 0.273 nan 8.210 nan 0.000 0.431 81 I N 5.781 126.387 120.570 0.060 0.000 2.328 81 I HA 0.253 4.423 4.170 0.001 0.000 0.287 81 I C -0.213 175.793 176.117 -0.185 0.000 1.012 81 I CA -0.640 60.648 61.300 -0.020 0.000 1.195 81 I CB 1.304 39.248 38.000 -0.093 0.000 1.350 81 I HN 0.426 nan 8.210 nan 0.000 0.464 82 K N 7.230 127.562 120.400 -0.114 0.000 2.293 82 K HA 0.535 4.856 4.320 0.001 0.000 0.267 82 K C -1.319 175.210 176.600 -0.118 0.000 1.010 82 K CA -0.330 55.882 56.287 -0.124 0.000 0.875 82 K CB 0.810 33.266 32.500 -0.073 0.000 1.106 82 K HN 0.341 nan 8.250 nan 0.000 0.450 83 L N 6.161 127.294 121.223 -0.151 0.000 2.399 83 L HA 0.544 4.885 4.340 0.001 0.000 0.265 83 L C -2.076 174.773 176.870 -0.034 0.000 1.089 83 L CA -2.116 52.673 54.840 -0.085 0.000 0.802 83 L CB 0.819 42.802 42.059 -0.127 0.000 1.180 83 L HN 0.659 nan 8.230 nan 0.000 0.454 84 P HA 0.077 nan 4.420 nan 0.000 0.265 84 P C -1.224 176.061 177.300 -0.025 0.000 1.187 84 P CA 0.070 63.194 63.100 0.040 0.000 0.766 84 P CB 0.310 32.102 31.700 0.154 0.000 0.820 85 N N 1.848 120.541 118.700 -0.012 0.000 2.774 85 N HA 0.326 5.066 4.740 0.001 0.000 0.264 85 N C -1.051 174.460 175.510 0.000 0.000 1.415 85 N CA -0.799 52.238 53.050 -0.021 0.000 0.815 85 N CB 1.148 39.623 38.487 -0.020 0.000 1.514 85 N HN 0.107 nan 8.380 nan 0.000 0.523 86 I N 0.817 121.393 120.570 0.011 0.000 2.474 86 I HA 0.069 4.239 4.170 0.001 0.000 0.287 86 I C 0.235 176.356 176.117 0.007 0.000 1.048 86 I CA -0.156 61.160 61.300 0.026 0.000 1.383 86 I CB 1.155 39.195 38.000 0.067 0.000 1.412 86 I HN 0.406 nan 8.210 nan 0.000 0.531 87 S N 5.909 121.609 115.700 -0.000 0.000 2.567 87 S HA 0.431 4.901 4.470 0.001 0.000 0.262 87 S C 0.264 174.843 174.600 -0.034 0.000 1.237 87 S CA -0.670 57.519 58.200 -0.019 0.000 1.093 87 S CB 0.733 63.922 63.200 -0.018 0.000 1.095 87 S HN 0.710 nan 8.310 nan 0.000 0.489 88 A N 3.172 125.962 122.820 -0.050 0.000 2.546 88 A HA 0.410 4.730 4.320 0.001 0.000 0.243 88 A C 0.919 178.440 177.584 -0.106 0.000 1.063 88 A CA -0.305 51.682 52.037 -0.083 0.000 0.757 88 A CB -0.029 18.893 19.000 -0.130 0.000 0.991 88 A HN 0.748 nan 8.150 nan 0.000 0.503 89 S N 2.001 117.640 115.700 -0.101 0.000 2.655 89 S HA 0.347 4.818 4.470 0.001 0.000 0.265 89 S C 1.147 175.648 174.600 -0.166 0.000 1.240 89 S CA -0.184 57.951 58.200 -0.109 0.000 0.986 89 S CB 0.971 64.125 63.200 -0.077 0.000 0.985 89 S HN 0.663 nan 8.310 nan 0.000 0.562 90 V N 1.889 121.701 119.914 -0.169 0.000 2.343 90 V HA -0.062 4.058 4.120 0.001 0.000 0.247 90 V C -0.770 175.185 176.094 -0.231 0.000 1.051 90 V CA 1.809 63.957 62.300 -0.253 0.000 1.036 90 V CB -1.884 29.845 31.823 -0.157 0.000 0.654 90 V HN 0.730 nan 8.190 nan 0.000 0.451 91 P HA -0.168 nan 4.420 nan 0.000 0.216 91 P C 1.775 178.989 177.300 -0.143 0.000 1.150 91 P CA 1.372 64.404 63.100 -0.113 0.000 0.837 91 P CB -0.024 31.640 31.700 -0.060 0.000 0.786 92 Q N -1.131 118.581 119.800 -0.146 0.000 2.079 92 Q HA -0.143 4.197 4.340 0.001 0.000 0.200 92 Q C 2.097 177.874 176.000 -0.371 0.000 0.974 92 Q CA 0.961 56.654 55.803 -0.182 0.000 0.840 92 Q CB -0.814 27.866 28.738 -0.096 0.000 0.898 92 Q HN 0.161 nan 8.270 nan 0.000 0.430 93 L N 1.357 122.367 121.223 -0.355 0.000 2.012 93 L HA -0.215 4.126 4.340 0.001 0.000 0.210 93 L C 1.855 178.452 176.870 -0.456 0.000 1.073 93 L CA 1.901 56.477 54.840 -0.440 0.000 0.748 93 L CB -0.224 41.517 42.059 -0.530 0.000 0.891 93 L HN -0.009 nan 8.230 nan 0.000 0.431 94 K N -0.563 119.606 120.400 -0.386 0.000 2.057 94 K HA -0.091 4.229 4.320 0.001 0.000 0.207 94 K C 2.095 178.559 176.600 -0.226 0.000 1.049 94 K CA 1.280 57.396 56.287 -0.284 0.000 0.931 94 K CB -0.412 31.979 32.500 -0.180 0.000 0.714 94 K HN 0.497 nan 8.250 nan 0.000 0.440 95 A N 1.490 124.180 122.820 -0.217 0.000 1.933 95 A HA -0.120 4.200 4.320 0.001 0.000 0.218 95 A C 2.343 179.815 177.584 -0.186 0.000 1.175 95 A CA 1.865 53.822 52.037 -0.133 0.000 0.628 95 A CB -0.590 18.398 19.000 -0.019 0.000 0.814 95 A HN 0.340 nan 8.150 nan 0.000 0.444 96 A N -0.207 122.328 122.820 -0.475 0.000 1.929 96 A HA 0.018 4.339 4.320 0.001 0.000 0.216 96 A C 2.096 179.541 177.584 -0.231 0.000 1.176 96 A CA 1.307 53.071 52.037 -0.455 0.000 0.628 96 A CB -0.526 18.082 19.000 -0.654 0.000 0.816 96 A HN 0.475 nan 8.150 nan 0.000 0.444 97 I N -0.395 120.020 120.570 -0.257 0.000 2.179 97 I HA -0.272 3.898 4.170 0.001 0.000 0.242 97 I C 2.545 178.592 176.117 -0.116 0.000 1.088 97 I CA 1.879 63.058 61.300 -0.202 0.000 1.357 97 I CB -0.224 37.607 38.000 -0.282 0.000 1.051 97 I HN 0.379 nan 8.210 nan 0.000 0.409 98 K N 1.134 121.475 120.400 -0.097 0.000 2.026 98 K HA -0.273 4.048 4.320 0.001 0.000 0.208 98 K C 2.118 178.722 176.600 0.006 0.000 1.048 98 K CA 1.859 58.123 56.287 -0.038 0.000 0.929 98 K CB -0.118 32.364 32.500 -0.030 0.000 0.713 98 K HN 0.272 nan 8.250 nan 0.000 0.439 99 E N 0.558 120.775 120.200 0.029 0.000 2.058 99 E HA -0.212 4.139 4.350 0.001 0.000 0.194 99 E C 2.096 178.741 176.600 0.075 0.000 0.997 99 E CA 1.302 57.755 56.400 0.088 0.000 0.801 99 E CB -0.067 29.740 29.700 0.179 0.000 0.746 99 E HN 0.340 nan 8.360 nan 0.000 0.450 100 L N 0.444 121.667 121.223 -0.000 0.000 2.046 100 L HA -0.228 4.113 4.340 0.001 0.000 0.208 100 L C 2.748 179.700 176.870 0.138 0.000 1.077 100 L CA 1.384 56.202 54.840 -0.036 0.000 0.747 100 L CB -0.385 41.524 42.059 -0.251 0.000 0.896 100 L HN 0.220 nan 8.230 nan 0.000 0.432 101 Q N -0.413 119.430 119.800 0.073 0.000 2.084 101 Q HA -0.262 4.078 4.340 0.001 0.000 0.202 101 Q C 2.205 178.260 176.000 0.092 0.000 0.978 101 Q CA 1.457 57.310 55.803 0.082 0.000 0.844 101 Q CB -0.161 28.595 28.738 0.030 0.000 0.898 101 Q HN 0.575 nan 8.270 nan 0.000 0.426 102 Q N 0.294 120.144 119.800 0.083 0.000 2.291 102 Q HA -0.149 4.192 4.340 0.001 0.000 0.205 102 Q C 1.476 177.541 176.000 0.108 0.000 0.970 102 Q CA 0.871 56.722 55.803 0.080 0.000 0.876 102 Q CB 0.132 28.913 28.738 0.071 0.000 0.935 102 Q HN 0.430 nan 8.270 nan 0.000 0.455 103 Q N -1.232 118.668 119.800 0.167 0.000 2.360 103 Q HA 0.089 4.429 4.340 0.001 0.000 0.202 103 Q C 0.687 176.790 176.000 0.171 0.000 0.915 103 Q CA 0.437 56.371 55.803 0.219 0.000 0.943 103 Q CB 0.876 29.827 28.738 0.355 0.000 1.064 103 Q HN 0.524 nan 8.270 nan 0.000 0.511 104 G N 0.127 109.001 108.800 0.124 0.000 2.179 104 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 104 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 104 G C -0.465 174.407 174.900 -0.046 0.000 0.990 104 G CA -0.560 44.544 45.100 0.007 0.000 0.646 104 G HN 0.290 nan 8.290 nan 0.000 0.517 105 Y N 1.673 121.982 120.300 0.014 0.000 2.504 105 Y HA 0.444 4.994 4.550 0.001 0.000 0.351 105 Y C 1.359 177.262 175.900 0.006 0.000 0.988 105 Y CA -0.291 57.814 58.100 0.009 0.000 1.239 105 Y CB 0.885 39.327 38.460 -0.030 0.000 1.128 105 Y HN 0.025 nan 8.280 nan 0.000 0.525 106 K N 4.901 125.382 120.400 0.136 0.000 3.245 106 K HA 0.114 4.435 4.320 0.001 0.000 0.285 106 K C -0.428 176.216 176.600 0.073 0.000 1.156 106 K CA 0.014 56.367 56.287 0.112 0.000 1.162 106 K CB -0.430 32.148 32.500 0.129 0.000 1.365 106 K HN 0.601 nan 8.250 nan 0.000 0.316 107 L N 2.791 124.001 121.223 -0.023 0.000 2.439 107 L HA 0.142 4.482 4.340 0.001 0.000 0.269 107 L C -1.616 175.058 176.870 -0.327 0.000 1.179 107 L CA -1.846 52.827 54.840 -0.277 0.000 0.828 107 L CB -0.049 41.882 42.059 -0.213 0.000 1.106 107 L HN 0.150 nan 8.230 nan 0.000 0.467 108 P HA 0.076 nan 4.420 nan 0.000 0.274 108 P C -1.033 176.205 177.300 -0.103 0.000 1.231 108 P CA -0.517 62.377 63.100 -0.343 0.000 0.790 108 P CB 0.764 32.158 31.700 -0.510 0.000 0.951 109 D N 0.461 120.839 120.400 -0.036 0.000 2.361 109 D HA -0.006 4.635 4.640 0.001 0.000 0.239 109 D C -0.247 176.090 176.300 0.062 0.000 1.200 109 D CA 0.510 54.504 54.000 -0.010 0.000 0.915 109 D CB 0.064 40.858 40.800 -0.012 0.000 1.170 109 D HN 0.350 nan 8.370 nan 0.000 0.444 110 Y N 2.430 122.640 120.300 -0.151 0.000 2.404 110 Y HA 0.253 4.803 4.550 0.001 0.000 0.344 110 Y C -2.124 173.751 175.900 -0.041 0.000 0.995 110 Y CA -2.168 55.843 58.100 -0.149 0.000 1.201 110 Y CB 0.819 39.072 38.460 -0.346 0.000 1.151 110 Y HN 0.049 nan 8.280 nan 0.000 0.517 111 P HA 0.194 nan 4.420 nan 0.000 0.291 111 P C -0.466 176.513 177.300 -0.535 0.000 1.378 111 P CA -0.189 62.706 63.100 -0.343 0.000 0.853 111 P CB 1.353 32.947 31.700 -0.177 0.000 1.002 112 E N 2.159 122.143 120.200 -0.359 0.000 2.150 112 E HA -0.112 4.239 4.350 0.001 0.000 0.193 112 E C 0.012 176.529 176.600 -0.139 0.000 0.985 112 E CA 1.030 57.291 56.400 -0.232 0.000 0.814 112 E CB 0.243 29.922 29.700 -0.036 0.000 0.752 112 E HN 0.621 nan 8.360 nan 0.000 0.466 113 E N 1.105 121.241 120.200 -0.108 0.000 2.873 113 E HA 0.205 4.556 4.350 0.001 0.000 0.232 113 E C -2.589 173.975 176.600 -0.060 0.000 1.123 113 E CA -1.816 54.547 56.400 -0.062 0.000 0.809 113 E CB 1.432 31.113 29.700 -0.032 0.000 1.366 113 E HN 0.016 nan 8.360 nan 0.000 0.400 114 P HA 0.015 nan 4.420 nan 0.000 0.268 114 P C 0.157 177.444 177.300 -0.022 0.000 1.204 114 P CA -0.149 62.924 63.100 -0.046 0.000 0.768 114 P CB 0.771 32.446 31.700 -0.042 0.000 0.842 115 K N 0.043 120.435 120.400 -0.013 0.000 2.517 115 K HA 0.167 4.487 4.320 0.001 0.000 0.210 115 K C 0.371 176.972 176.600 0.002 0.000 1.166 115 K CA 0.289 56.574 56.287 -0.004 0.000 1.030 115 K CB 0.624 33.122 32.500 -0.004 0.000 0.974 115 K HN 0.584 nan 8.250 nan 0.000 0.585 116 T N -2.478 112.079 114.554 0.004 0.000 2.906 116 T HA 0.352 4.703 4.350 0.001 0.000 0.295 116 T C 0.526 175.236 174.700 0.017 0.000 1.075 116 T CA -0.582 61.525 62.100 0.011 0.000 1.005 116 T CB 2.103 70.981 68.868 0.015 0.000 1.136 116 T HN -0.283 nan 8.240 nan 0.000 0.498 117 D N 1.418 121.830 120.400 0.020 0.000 2.133 117 D HA -0.086 4.555 4.640 0.001 0.000 0.195 117 D C 2.050 178.372 176.300 0.035 0.000 0.997 117 D CA 1.794 55.808 54.000 0.024 0.000 0.840 117 D CB -0.558 40.255 40.800 0.021 0.000 0.947 117 D HN 0.723 nan 8.370 nan 0.000 0.452 118 T N 0.774 115.354 114.554 0.043 0.000 2.708 118 T HA -0.121 4.229 4.350 0.001 0.000 0.266 118 T C 1.793 176.534 174.700 0.069 0.000 1.037 118 T CA 1.132 63.273 62.100 0.068 0.000 1.146 118 T CB -0.186 68.728 68.868 0.077 0.000 0.865 118 T HN 0.292 nan 8.240 nan 0.000 0.435 119 E N 0.841 121.066 120.200 0.042 0.000 2.110 119 E HA -0.107 4.243 4.350 0.001 0.000 0.193 119 E C 2.323 178.933 176.600 0.017 0.000 0.988 119 E CA 0.886 57.299 56.400 0.022 0.000 0.804 119 E CB -0.051 29.645 29.700 -0.006 0.000 0.745 119 E HN 0.453 nan 8.360 nan 0.000 0.458 120 K N 0.669 121.081 120.400 0.019 0.000 2.097 120 K HA -0.176 4.144 4.320 0.001 0.000 0.205 120 K C 1.910 178.532 176.600 0.037 0.000 1.050 120 K CA 1.566 57.865 56.287 0.019 0.000 0.938 120 K CB -0.096 32.415 32.500 0.018 0.000 0.718 120 K HN 0.075 nan 8.250 nan 0.000 0.442 121 D N 0.429 120.859 120.400 0.049 0.000 2.097 121 D HA -0.140 4.500 4.640 0.001 0.000 0.197 121 D C 1.769 178.117 176.300 0.080 0.000 0.984 121 D CA 0.925 54.959 54.000 0.058 0.000 0.826 121 D CB 0.177 41.018 40.800 0.068 0.000 0.973 121 D HN -0.120 nan 8.370 nan 0.000 0.460 122 V N 0.492 120.470 119.914 0.107 0.000 2.261 122 V HA -0.234 3.887 4.120 0.001 0.000 0.246 122 V C 2.508 178.702 176.094 0.167 0.000 1.047 122 V CA 2.011 64.390 62.300 0.132 0.000 1.015 122 V CB -0.649 31.223 31.823 0.082 0.000 0.642 122 V HN 0.272 nan 8.190 nan 0.000 0.446 123 K N 0.098 120.575 120.400 0.128 0.000 2.032 123 K HA -0.200 4.121 4.320 0.001 0.000 0.209 123 K C 2.206 178.926 176.600 0.200 0.000 1.048 123 K CA 1.633 58.003 56.287 0.137 0.000 0.927 123 K CB -0.378 32.086 32.500 -0.059 0.000 0.712 123 K HN 0.419 nan 8.250 nan 0.000 0.441 124 A N 1.484 124.373 122.820 0.115 0.000 1.908 124 A HA -0.184 4.136 4.320 0.001 0.000 0.218 124 A C 2.120 179.763 177.584 0.097 0.000 1.181 124 A CA 1.530 53.624 52.037 0.094 0.000 0.627 124 A CB -0.477 18.555 19.000 0.053 0.000 0.818 124 A HN 0.331 nan 8.150 nan 0.000 0.445 125 R N -2.139 118.405 120.500 0.072 0.000 2.073 125 R HA -0.074 4.266 4.340 0.001 0.000 0.229 125 R C 2.052 178.422 176.300 0.117 0.000 1.120 125 R CA 1.557 57.650 56.100 -0.011 0.000 0.967 125 R CB -0.434 29.732 30.300 -0.224 0.000 0.862 125 R HN 0.742 nan 8.270 nan 0.000 0.436 126 Y N 0.858 121.323 120.300 0.275 0.000 2.224 126 Y HA -0.213 4.337 4.550 0.001 0.000 0.289 126 Y C 1.957 177.949 175.900 0.153 0.000 1.146 126 Y CA 0.544 58.806 58.100 0.269 0.000 1.182 126 Y CB 0.097 38.790 38.460 0.389 0.000 0.983 126 Y HN 0.064 nan 8.280 nan 0.000 0.524 127 D N 0.026 120.632 120.400 0.343 0.000 2.218 127 D HA -0.132 4.509 4.640 0.001 0.000 0.204 127 D C 1.576 177.938 176.300 0.104 0.000 0.976 127 D CA 1.220 55.339 54.000 0.199 0.000 0.853 127 D CB -0.145 40.765 40.800 0.182 0.000 0.939 127 D HN 0.352 nan 8.370 nan 0.000 0.481 128 K N -0.096 120.362 120.400 0.095 0.000 2.418 128 K HA 0.053 4.373 4.320 0.001 0.000 0.195 128 K C 1.505 178.129 176.600 0.040 0.000 1.035 128 K CA 0.185 56.500 56.287 0.047 0.000 1.003 128 K CB 0.623 33.138 32.500 0.025 0.000 0.793 128 K HN 0.123 nan 8.250 nan 0.000 0.494 129 I N 1.837 122.452 120.570 0.074 0.000 2.867 129 I HA -0.078 4.092 4.170 0.001 0.000 0.265 129 I C 1.122 177.247 176.117 0.014 0.000 1.162 129 I CA 0.740 62.077 61.300 0.062 0.000 1.471 129 I CB -0.569 37.515 38.000 0.140 0.000 1.123 129 I HN 0.149 nan 8.210 nan 0.000 0.440 130 K N 1.322 121.718 120.400 -0.007 0.000 2.118 130 K HA 0.468 4.788 4.320 0.001 0.000 0.240 130 K C 0.722 177.288 176.600 -0.057 0.000 1.035 130 K CA 0.248 56.495 56.287 -0.066 0.000 0.899 130 K CB 0.646 33.069 32.500 -0.128 0.000 1.085 130 K HN 0.168 nan 8.250 nan 0.000 0.498 131 G N 0.087 108.843 108.800 -0.073 0.000 2.645 131 G HA2 -0.292 3.668 3.960 0.001 0.000 0.239 131 G HA3 -0.292 3.668 3.960 0.001 0.000 0.239 131 G C -0.457 174.409 174.900 -0.056 0.000 1.331 131 G CA -0.057 44.998 45.100 -0.075 0.000 0.890 131 G HN 0.695 nan 8.290 nan 0.000 0.572 132 S N 0.703 116.364 115.700 -0.064 0.000 3.900 132 S HA 0.504 4.974 4.470 0.001 0.000 0.248 132 S C 1.418 176.008 174.600 -0.017 0.000 1.310 132 S CA 0.801 58.982 58.200 -0.031 0.000 0.915 132 S CB -0.490 62.694 63.200 -0.027 0.000 1.588 132 S HN 1.870 nan 8.310 nan 0.000 0.472 133 A N 3.756 126.569 122.820 -0.012 0.000 2.095 133 A HA 0.204 4.525 4.320 0.001 0.000 0.212 133 A C 1.771 179.357 177.584 0.004 0.000 1.162 133 A CA 0.350 52.385 52.037 -0.003 0.000 0.753 133 A CB -0.042 18.956 19.000 -0.004 0.000 0.840 133 A HN 0.621 nan 8.150 nan 0.000 0.468 134 V N 0.603 120.519 119.914 0.003 0.000 2.379 134 V HA -0.191 3.929 4.120 0.001 0.000 0.243 134 V C 2.057 178.152 176.094 0.001 0.000 1.035 134 V CA 1.902 64.202 62.300 -0.000 0.000 1.035 134 V CB -1.027 30.793 31.823 -0.006 0.000 0.673 134 V HN 0.601 nan 8.190 nan 0.000 0.457 135 N N 0.642 119.348 118.700 0.011 0.000 2.094 135 N HA -0.163 4.578 4.740 0.001 0.000 0.191 135 N C -0.919 174.598 175.510 0.011 0.000 1.023 135 N CA 1.583 54.639 53.050 0.010 0.000 0.857 135 N CB -0.859 37.650 38.487 0.037 0.000 1.013 135 N HN 0.433 nan 8.380 nan 0.000 0.426 136 P HA -0.067 nan 4.420 nan 0.000 0.222 136 P C 1.117 178.423 177.300 0.009 0.000 1.147 136 P CA 0.766 63.888 63.100 0.036 0.000 0.790 136 P CB 0.200 31.936 31.700 0.060 0.000 0.780 137 V N -1.107 118.809 119.914 0.002 0.000 2.500 137 V HA -0.075 4.045 4.120 0.001 0.000 0.243 137 V C 2.206 178.289 176.094 -0.019 0.000 1.039 137 V CA 1.312 63.608 62.300 -0.006 0.000 1.053 137 V CB -0.850 30.970 31.823 -0.005 0.000 0.695 137 V HN 0.049 nan 8.190 nan 0.000 0.463 138 L N -0.600 120.607 121.223 -0.026 0.000 2.270 138 L HA 0.100 4.441 4.340 0.001 0.000 0.210 138 L C 1.383 178.217 176.870 -0.060 0.000 1.104 138 L CA 0.552 55.367 54.840 -0.042 0.000 0.804 138 L CB -0.282 41.749 42.059 -0.046 0.000 0.937 138 L HN 0.142 nan 8.230 nan 0.000 0.450 139 R N 1.716 122.179 120.500 -0.060 0.000 4.154 139 R HA 0.021 4.361 4.340 0.001 0.000 0.186 139 R C -0.098 176.156 176.300 -0.077 0.000 1.750 139 R CA -0.049 56.001 56.100 -0.083 0.000 1.431 139 R CB -0.125 30.115 30.300 -0.099 0.000 1.383 139 R HN 0.126 nan 8.270 nan 0.000 0.788 140 E N 1.294 121.452 120.200 -0.070 0.000 2.354 140 E HA 0.189 4.540 4.350 0.001 0.000 0.252 140 E C 0.333 176.896 176.600 -0.062 0.000 1.330 140 E CA -0.112 56.254 56.400 -0.057 0.000 1.658 140 E CB 1.095 30.769 29.700 -0.042 0.000 1.460 140 E HN 0.656 nan 8.360 nan 0.000 0.435 141 G N 0.260 109.015 108.800 -0.076 0.000 2.495 141 G HA2 0.187 4.147 3.960 0.001 0.000 0.294 141 G HA3 0.187 4.147 3.960 0.001 0.000 0.294 141 G C -0.665 174.188 174.900 -0.079 0.000 1.397 141 G CA -0.796 44.263 45.100 -0.069 0.000 0.790 141 G HN -0.025 nan 8.290 nan 0.000 0.486 142 N N -0.524 118.145 118.700 -0.050 0.000 2.448 142 N HA 0.593 5.334 4.740 0.001 0.000 0.274 142 N C -0.474 175.002 175.510 -0.056 0.000 1.239 142 N CA -0.264 52.760 53.050 -0.043 0.000 0.982 142 N CB 1.668 40.189 38.487 0.056 0.000 1.199 142 N HN 0.420 nan 8.380 nan 0.000 0.576 143 S N -0.139 115.532 115.700 -0.048 0.000 2.437 143 S HA 0.158 4.629 4.470 0.001 0.000 0.305 143 S C -1.214 173.365 174.600 -0.035 0.000 1.109 143 S CA -0.632 57.531 58.200 -0.063 0.000 1.099 143 S CB 0.323 63.465 63.200 -0.098 0.000 1.004 143 S HN 0.440 nan 8.310 nan 0.000 0.475 144 D N 3.796 124.170 120.400 -0.044 0.000 2.432 144 D HA 0.260 4.900 4.640 0.001 0.000 0.265 144 D C -0.419 175.862 176.300 -0.032 0.000 1.160 144 D CA -0.349 53.630 54.000 -0.035 0.000 0.911 144 D CB 0.325 41.111 40.800 -0.023 0.000 1.052 144 D HN 0.459 nan 8.370 nan 0.000 0.508 145 R N 3.130 123.607 120.500 -0.039 0.000 2.343 145 R HA 0.616 4.956 4.340 0.001 0.000 0.320 145 R C -0.392 175.890 176.300 -0.029 0.000 0.956 145 R CA -0.658 55.424 56.100 -0.030 0.000 0.836 145 R CB 0.840 31.118 30.300 -0.037 0.000 1.151 145 R HN 0.500 nan 8.270 nan 0.000 0.450 146 R N 1.843 122.333 120.500 -0.018 0.000 2.664 146 R HA 0.502 4.842 4.340 0.001 0.000 0.266 146 R C -1.775 174.519 176.300 -0.010 0.000 1.046 146 R CA -0.998 55.090 56.100 -0.019 0.000 0.885 146 R CB 1.013 31.296 30.300 -0.028 0.000 1.254 146 R HN 0.486 nan 8.270 nan 0.000 0.465 147 A N 2.226 125.040 122.820 -0.009 0.000 2.354 147 A HA 0.590 4.910 4.320 0.001 0.000 0.269 147 A C -2.195 175.388 177.584 -0.003 0.000 1.109 147 A CA -1.512 50.522 52.037 -0.005 0.000 0.800 147 A CB -0.009 18.992 19.000 0.002 0.000 1.045 147 A HN 0.544 nan 8.150 nan 0.000 0.489 148 P HA 0.130 nan 4.420 nan 0.000 0.272 148 P C 0.940 178.244 177.300 0.007 0.000 1.223 148 P CA -0.561 62.539 63.100 -0.001 0.000 0.784 148 P CB 0.527 32.223 31.700 -0.006 0.000 0.923 149 L N 2.906 124.132 121.223 0.004 0.000 2.127 149 L HA -0.217 4.123 4.340 0.001 0.000 0.211 149 L C 2.080 178.967 176.870 0.028 0.000 1.089 149 L CA 2.414 57.261 54.840 0.011 0.000 0.757 149 L CB -1.429 40.632 42.059 0.004 0.000 0.899 149 L HN 0.446 nan 8.230 nan 0.000 0.434 150 S N -2.059 113.653 115.700 0.022 0.000 2.368 150 S HA -0.170 4.300 4.470 0.001 0.000 0.225 150 S C 1.918 176.564 174.600 0.076 0.000 1.030 150 S CA 1.467 59.689 58.200 0.036 0.000 0.999 150 S CB -1.194 62.006 63.200 0.001 0.000 0.844 150 S HN 0.254 nan 8.310 nan 0.000 0.459 151 V N 2.166 122.112 119.914 0.054 0.000 2.379 151 V HA -0.064 4.056 4.120 0.001 0.000 0.245 151 V C 2.763 178.935 176.094 0.131 0.000 1.044 151 V CA 2.043 64.391 62.300 0.081 0.000 1.036 151 V CB -0.758 31.081 31.823 0.027 0.000 0.664 151 V HN 0.473 nan 8.190 nan 0.000 0.453 152 K N 1.293 121.743 120.400 0.084 0.000 2.002 152 K HA -0.147 4.173 4.320 0.001 0.000 0.209 152 K C 1.876 178.530 176.600 0.090 0.000 1.048 152 K CA 1.795 58.127 56.287 0.075 0.000 0.930 152 K CB -0.561 31.962 32.500 0.038 0.000 0.714 152 K HN 0.402 nan 8.250 nan 0.000 0.438 153 N N -0.358 118.393 118.700 0.085 0.000 2.205 153 N HA -0.190 4.551 4.740 0.001 0.000 0.186 153 N C 1.669 177.244 175.510 0.108 0.000 1.015 153 N CA 1.217 54.311 53.050 0.073 0.000 0.862 153 N CB -0.423 38.102 38.487 0.063 0.000 0.986 153 N HN 0.301 nan 8.380 nan 0.000 0.429 154 Y N 1.591 121.931 120.300 0.068 0.000 2.200 154 Y HA -0.077 4.473 4.550 0.001 0.000 0.290 154 Y C 2.342 178.347 175.900 0.176 0.000 1.137 154 Y CA 1.457 59.643 58.100 0.143 0.000 1.163 154 Y CB -0.448 38.076 38.460 0.107 0.000 0.988 154 Y HN 0.070 nan 8.280 nan 0.000 0.518 155 A N 0.496 123.424 122.820 0.180 0.000 1.902 155 A HA -0.195 4.125 4.320 0.001 0.000 0.217 155 A C 2.349 179.958 177.584 0.041 0.000 1.181 155 A CA 1.723 53.846 52.037 0.142 0.000 0.623 155 A CB -0.665 18.446 19.000 0.186 0.000 0.818 155 A HN 0.485 nan 8.150 nan 0.000 0.443 156 R N -0.290 120.216 120.500 0.010 0.000 2.091 156 R HA -0.142 4.199 4.340 0.001 0.000 0.238 156 R C 1.970 178.188 176.300 -0.137 0.000 1.136 156 R CA 1.855 57.932 56.100 -0.039 0.000 0.959 156 R CB -0.236 30.048 30.300 -0.028 0.000 0.856 156 R HN 0.545 nan 8.270 nan 0.000 0.437 157 K N -0.988 119.262 120.400 -0.250 0.000 2.305 157 K HA -0.004 4.317 4.320 0.001 0.000 0.199 157 K C 0.220 176.319 176.600 -0.834 0.000 1.047 157 K CA 0.678 56.658 56.287 -0.511 0.000 0.976 157 K CB 0.286 32.432 32.500 -0.590 0.000 0.765 157 K HN 0.283 nan 8.250 nan 0.000 0.474 158 H N 0.444 119.347 119.070 -0.279 0.000 2.379 158 H HA 0.245 4.802 4.556 0.001 0.000 0.229 158 H C -2.677 172.597 175.328 -0.091 0.000 1.423 158 H CA -2.335 53.568 56.048 -0.243 0.000 1.375 158 H CB 0.397 29.872 29.762 -0.478 0.000 1.592 158 H HN -0.055 nan 8.280 nan 0.000 0.507 159 P HA -0.072 nan 4.420 nan 0.000 0.262 159 P C 0.538 177.848 177.300 0.017 0.000 1.182 159 P CA 0.486 63.575 63.100 -0.018 0.000 0.761 159 P CB 0.422 32.070 31.700 -0.086 0.000 0.795 160 H N 1.683 120.787 119.070 0.056 0.000 2.508 160 H HA 0.372 4.928 4.556 0.001 0.000 0.358 160 H C -0.047 175.317 175.328 0.061 0.000 1.212 160 H CA -0.691 55.395 56.048 0.063 0.000 1.356 160 H CB 0.617 30.422 29.762 0.072 0.000 1.525 160 H HN 0.275 nan 8.280 nan 0.000 0.578 161 K N 1.256 121.710 120.400 0.090 0.000 2.350 161 K HA 0.182 4.503 4.320 0.001 0.000 0.279 161 K C -0.130 176.503 176.600 0.056 0.000 1.027 161 K CA -0.162 56.146 56.287 0.036 0.000 0.969 161 K CB 0.502 33.038 32.500 0.060 0.000 0.954 161 K HN 0.422 nan 8.250 nan 0.000 0.474 162 M N 2.193 121.805 119.600 0.019 0.000 2.142 162 M HA 0.194 4.674 4.480 0.001 0.000 0.299 162 M C 0.185 176.525 176.300 0.066 0.000 0.960 162 M CA -0.773 54.573 55.300 0.077 0.000 0.920 162 M CB 1.452 34.097 32.600 0.075 0.000 1.541 162 M HN 0.716 nan 8.290 nan 0.000 0.429 163 G N 2.474 111.307 108.800 0.054 0.000 2.353 163 G HA2 0.369 4.330 3.960 0.001 0.000 0.239 163 G HA3 0.369 4.330 3.960 0.001 0.000 0.239 163 G C 0.246 175.143 174.900 -0.006 0.000 1.295 163 G CA -0.283 44.801 45.100 -0.027 0.000 0.884 163 G HN 0.909 nan 8.290 nan 0.000 0.537 164 A N 2.097 124.895 122.820 -0.037 0.000 2.445 164 A HA 0.502 4.822 4.320 0.001 0.000 0.242 164 A C -0.605 176.954 177.584 -0.042 0.000 1.075 164 A CA -0.092 51.952 52.037 0.013 0.000 0.777 164 A CB 0.378 19.373 19.000 -0.007 0.000 1.013 164 A HN 0.689 nan 8.150 nan 0.000 0.493 165 W N 0.719 121.990 121.300 -0.049 0.000 2.606 165 W HA 0.544 5.204 4.660 0.001 0.000 0.332 165 W C 0.474 176.964 176.519 -0.048 0.000 1.052 165 W CA 0.043 57.356 57.345 -0.053 0.000 1.223 165 W CB 2.047 31.464 29.460 -0.071 0.000 1.383 165 W HN 0.686 nan 8.180 nan 0.000 0.524 166 S N 1.912 117.722 115.700 0.183 0.000 2.509 166 S HA 0.583 5.053 4.470 0.001 0.000 0.297 166 S C 0.787 175.482 174.600 0.158 0.000 1.118 166 S CA -0.083 58.184 58.200 0.112 0.000 1.074 166 S CB 1.463 64.678 63.200 0.024 0.000 1.038 166 S HN 0.616 nan 8.310 nan 0.000 0.498 167 A N 3.024 125.899 122.820 0.091 0.000 2.121 167 A HA 0.043 4.363 4.320 0.001 0.000 0.218 167 A C 1.163 178.784 177.584 0.061 0.000 1.154 167 A CA 1.111 53.187 52.037 0.064 0.000 0.679 167 A CB -0.279 18.731 19.000 0.017 0.000 0.795 167 A HN 0.854 nan 8.150 nan 0.000 0.458 168 D N -0.004 120.428 120.400 0.054 0.000 2.336 168 D HA 0.083 4.723 4.640 0.001 0.000 0.228 168 D C 0.457 176.787 176.300 0.050 0.000 1.120 168 D CA 0.208 54.232 54.000 0.039 0.000 0.839 168 D CB 0.112 40.924 40.800 0.020 0.000 0.932 168 D HN 0.311 nan 8.370 nan 0.000 0.509 169 S N 0.590 116.343 115.700 0.089 0.000 2.560 169 S HA 0.013 4.483 4.470 0.001 0.000 0.284 169 S C 1.095 175.759 174.600 0.106 0.000 1.327 169 S CA 0.001 58.253 58.200 0.087 0.000 1.055 169 S CB 0.927 64.229 63.200 0.171 0.000 0.868 169 S HN 0.020 nan 8.310 nan 0.000 0.506 170 K N 2.315 122.769 120.400 0.089 0.000 2.374 170 K HA 0.163 4.483 4.320 0.001 0.000 0.196 170 K C 0.173 176.928 176.600 0.258 0.000 1.023 170 K CA -0.108 56.253 56.287 0.124 0.000 1.103 170 K CB 0.369 32.922 32.500 0.089 0.000 0.848 170 K HN 0.419 nan 8.250 nan 0.000 0.528 171 S N 1.939 117.770 115.700 0.218 0.000 2.564 171 S HA 0.099 4.570 4.470 0.001 0.000 0.278 171 S C -0.251 174.556 174.600 0.346 0.000 1.333 171 S CA -0.291 58.042 58.200 0.221 0.000 1.048 171 S CB 0.303 63.583 63.200 0.135 0.000 0.900 171 S HN 0.384 nan 8.310 nan 0.000 0.505 172 H N -1.353 117.777 119.070 0.100 0.000 2.935 172 H HA 0.405 4.962 4.556 0.001 0.000 0.297 172 H C -1.880 173.499 175.328 0.084 0.000 1.423 172 H CA -0.846 55.259 56.048 0.095 0.000 1.161 172 H CB -0.070 29.734 29.762 0.070 0.000 1.841 172 H HN 0.340 nan 8.280 nan 0.000 0.506 173 V N 0.831 120.822 119.914 0.129 0.000 2.439 173 V HA 0.611 4.731 4.120 0.001 0.000 0.282 173 V C 0.491 176.682 176.094 0.162 0.000 1.039 173 V CA -0.126 62.233 62.300 0.098 0.000 0.913 173 V CB 0.926 32.865 31.823 0.193 0.000 0.983 173 V HN 0.936 nan 8.190 nan 0.000 0.460 174 A N 4.602 127.511 122.820 0.149 0.000 2.287 174 A HA 0.831 5.152 4.320 0.001 0.000 0.317 174 A C -0.586 177.216 177.584 0.364 0.000 1.220 174 A CA -0.438 51.728 52.037 0.215 0.000 0.835 174 A CB 0.380 19.501 19.000 0.202 0.000 1.180 174 A HN 1.193 nan 8.150 nan 0.000 0.500 175 H N -0.064 119.194 119.070 0.312 0.000 2.949 175 H HA 0.761 5.317 4.556 0.001 0.000 0.356 175 H C -0.541 174.603 175.328 -0.306 0.000 1.212 175 H CA -1.255 54.781 56.048 -0.020 0.000 1.136 175 H CB 0.430 30.173 29.762 -0.031 0.000 1.869 175 H HN 0.498 nan 8.280 nan 0.000 0.556 176 M N 0.786 120.079 119.600 -0.513 0.000 2.226 176 M HA 0.101 4.581 4.480 0.001 0.000 0.324 176 M C 0.075 176.404 176.300 0.048 0.000 1.112 176 M CA 0.096 55.131 55.300 -0.442 0.000 1.176 176 M CB 0.490 32.793 32.600 -0.496 0.000 1.430 176 M HN 0.690 nan 8.290 nan 0.000 0.462 177 D N 0.494 120.929 120.400 0.058 0.000 2.392 177 D HA 0.132 4.773 4.640 0.001 0.000 0.206 177 D C -0.287 176.057 176.300 0.072 0.000 1.046 177 D CA 0.568 54.631 54.000 0.105 0.000 0.865 177 D CB 0.314 41.177 40.800 0.104 0.000 0.969 177 D HN 0.704 nan 8.370 nan 0.000 0.509 178 N N -2.476 116.248 118.700 0.040 0.000 3.348 178 N HA 0.213 4.953 4.740 0.001 0.000 0.233 178 N C 0.436 175.949 175.510 0.005 0.000 1.440 178 N CA -0.159 52.914 53.050 0.039 0.000 0.887 178 N CB 1.414 39.929 38.487 0.047 0.000 1.410 178 N HN -0.060 nan 8.380 nan 0.000 0.502 179 G N -0.028 108.775 108.800 0.004 0.000 2.148 179 G HA2 -0.257 3.704 3.960 0.001 0.000 0.254 179 G HA3 -0.257 3.704 3.960 0.001 0.000 0.254 179 G C -0.461 174.389 174.900 -0.083 0.000 0.981 179 G CA 1.097 46.183 45.100 -0.023 0.000 0.670 179 G HN 1.161 nan 8.290 nan 0.000 0.528 180 D N -1.034 119.319 120.400 -0.079 0.000 2.549 180 D HA 0.594 5.235 4.640 0.001 0.000 0.270 180 D C 1.291 177.537 176.300 -0.091 0.000 1.181 180 D CA -1.415 52.489 54.000 -0.159 0.000 1.070 180 D CB -0.073 40.667 40.800 -0.101 0.000 1.154 180 D HN -0.003 nan 8.370 nan 0.000 0.602 181 F N -1.322 118.634 119.950 0.011 0.000 2.134 181 F HA -0.163 4.364 4.527 0.001 0.000 0.299 181 F C 2.309 178.103 175.800 -0.010 0.000 1.097 181 F CA 0.975 58.965 58.000 -0.018 0.000 1.264 181 F CB -0.477 38.502 39.000 -0.036 0.000 1.001 181 F HN 0.371 nan 8.300 nan 0.000 0.479 182 Y N 1.070 121.422 120.300 0.087 0.000 2.081 182 Y HA -0.215 4.335 4.550 0.001 0.000 0.280 182 Y C 2.432 178.329 175.900 -0.005 0.000 1.163 182 Y CA 1.655 59.750 58.100 -0.008 0.000 1.135 182 Y CB -0.978 37.439 38.460 -0.072 0.000 0.970 182 Y HN -0.013 nan 8.280 nan 0.000 0.498 183 G N -1.796 107.069 108.800 0.108 0.000 2.559 183 G HA2 -0.145 3.815 3.960 0.001 0.000 0.216 183 G HA3 -0.145 3.815 3.960 0.001 0.000 0.216 183 G C 1.243 176.125 174.900 -0.029 0.000 1.126 183 G CA 0.922 46.031 45.100 0.015 0.000 0.778 183 G HN 0.511 nan 8.290 nan 0.000 0.543 184 S N -1.056 114.638 115.700 -0.010 0.000 2.629 184 S HA 0.271 4.741 4.470 0.001 0.000 0.236 184 S C 0.283 174.879 174.600 -0.006 0.000 1.010 184 S CA -0.422 57.782 58.200 0.007 0.000 0.981 184 S CB 0.405 63.631 63.200 0.044 0.000 0.919 184 S HN 0.391 nan 8.310 nan 0.000 0.514 185 E N 1.955 122.125 120.200 -0.050 0.000 2.414 185 E HA 0.197 4.548 4.350 0.001 0.000 0.263 185 E C -0.801 175.772 176.600 -0.044 0.000 1.000 185 E CA 0.309 56.674 56.400 -0.059 0.000 0.914 185 E CB 0.416 30.059 29.700 -0.094 0.000 0.948 185 E HN 0.347 nan 8.360 nan 0.000 0.444 186 K N 1.809 122.196 120.400 -0.021 0.000 2.464 186 K HA 0.664 4.985 4.320 0.001 0.000 0.253 186 K C -1.411 175.197 176.600 0.012 0.000 0.933 186 K CA -0.815 55.474 56.287 0.003 0.000 0.801 186 K CB 2.209 34.728 32.500 0.032 0.000 1.271 186 K HN 0.480 nan 8.250 nan 0.000 0.430 187 A N 1.147 123.979 122.820 0.019 0.000 2.479 187 A HA 0.948 5.269 4.320 0.001 0.000 0.296 187 A C -1.630 175.971 177.584 0.028 0.000 1.121 187 A CA -0.714 51.342 52.037 0.031 0.000 0.743 187 A CB 1.894 20.917 19.000 0.039 0.000 1.323 187 A HN 0.700 nan 8.150 nan 0.000 0.415 188 A N 0.043 122.883 122.820 0.033 0.000 2.486 188 A HA 0.659 4.980 4.320 0.001 0.000 0.300 188 A C -1.624 175.975 177.584 0.025 0.000 1.048 188 A CA -0.418 51.636 52.037 0.029 0.000 0.696 188 A CB 1.320 20.344 19.000 0.039 0.000 1.278 188 A HN 1.763 nan 8.150 nan 0.000 0.405 189 L N 3.527 124.760 121.223 0.017 0.000 2.265 189 L HA 0.520 4.860 4.340 0.001 0.000 0.289 189 L C -0.635 176.247 176.870 0.021 0.000 1.033 189 L CA -0.519 54.331 54.840 0.015 0.000 0.814 189 L CB 0.613 42.675 42.059 0.004 0.000 1.203 189 L HN 0.559 nan 8.230 nan 0.000 0.423 190 I N 5.384 125.971 120.570 0.027 0.000 2.533 190 I HA 0.128 4.299 4.170 0.001 0.000 0.284 190 I C 1.468 177.600 176.117 0.025 0.000 1.109 190 I CA 0.450 61.767 61.300 0.028 0.000 1.412 190 I CB 0.528 38.548 38.000 0.032 0.000 1.396 190 I HN 0.814 nan 8.210 nan 0.000 0.543 191 G N 5.481 114.294 108.800 0.021 0.000 2.404 191 G HA2 0.243 4.204 3.960 0.001 0.000 0.213 191 G HA3 0.243 4.204 3.960 0.001 0.000 0.213 191 G C 0.490 175.402 174.900 0.020 0.000 1.189 191 G CA 0.753 45.865 45.100 0.019 0.000 0.796 191 G HN 0.704 nan 8.290 nan 0.000 0.532 192 A N -0.558 122.274 122.820 0.020 0.000 2.469 192 A HA 0.786 5.106 4.320 0.001 0.000 0.299 192 A C -2.850 174.746 177.584 0.020 0.000 1.098 192 A CA -1.317 50.732 52.037 0.019 0.000 0.737 192 A CB 1.039 20.048 19.000 0.016 0.000 1.312 192 A HN 0.086 nan 8.150 nan 0.000 0.414 193 P HA 0.446 nan 4.420 nan 0.000 0.267 193 P C 0.618 177.930 177.300 0.019 0.000 1.200 193 P CA 1.161 64.273 63.100 0.020 0.000 0.772 193 P CB 0.834 32.544 31.700 0.017 0.000 0.855 194 G N -0.008 108.805 108.800 0.021 0.000 2.566 194 G HA2 0.472 4.432 3.960 0.001 0.000 0.138 194 G HA3 0.472 4.432 3.960 0.001 0.000 0.138 194 G C -1.299 173.616 174.900 0.024 0.000 1.133 194 G CA 0.199 45.311 45.100 0.021 0.000 1.037 194 G HN 0.828 nan 8.290 nan 0.000 0.491 195 S N -1.608 114.108 115.700 0.027 0.000 2.587 195 S HA 0.806 5.277 4.470 0.001 0.000 0.269 195 S C -0.887 173.734 174.600 0.035 0.000 1.154 195 S CA 0.082 58.301 58.200 0.032 0.000 0.824 195 S CB 1.307 64.525 63.200 0.029 0.000 1.118 195 S HN 2.236 nan 8.310 nan 0.000 0.462 196 V N -1.015 118.926 119.914 0.045 0.000 2.960 196 V HA 0.846 4.966 4.120 0.001 0.000 0.315 196 V C -0.610 175.513 176.094 0.048 0.000 1.087 196 V CA -0.919 61.411 62.300 0.050 0.000 0.982 196 V CB 1.599 33.463 31.823 0.069 0.000 1.039 196 V HN 1.232 nan 8.190 nan 0.000 0.437 197 K N 2.375 122.796 120.400 0.034 0.000 2.270 197 K HA 0.733 5.053 4.320 0.001 0.000 0.255 197 K C -1.487 175.113 176.600 -0.001 0.000 0.936 197 K CA -0.857 55.438 56.287 0.012 0.000 0.809 197 K CB 1.890 34.385 32.500 -0.008 0.000 1.131 197 K HN 0.842 nan 8.250 nan 0.000 0.427 198 I N 4.653 125.202 120.570 -0.035 0.000 2.382 198 I HA 0.238 4.408 4.170 0.001 0.000 0.286 198 I C -0.467 175.510 176.117 -0.233 0.000 1.002 198 I CA -0.484 60.744 61.300 -0.120 0.000 1.135 198 I CB 1.533 39.482 38.000 -0.084 0.000 1.288 198 I HN 0.702 nan 8.210 nan 0.000 0.448 199 E N 6.589 126.642 120.200 -0.245 0.000 2.367 199 E HA 0.564 4.914 4.350 0.001 0.000 0.273 199 E C -1.724 174.715 176.600 -0.267 0.000 0.903 199 E CA -1.073 55.181 56.400 -0.244 0.000 0.764 199 E CB 2.911 32.520 29.700 -0.152 0.000 1.252 199 E HN 0.360 nan 8.360 nan 0.000 0.446 200 L N 2.802 123.875 121.223 -0.250 0.000 2.282 200 L HA 0.399 4.740 4.340 0.001 0.000 0.288 200 L C -1.248 175.539 176.870 -0.138 0.000 1.033 200 L CA -0.720 53.990 54.840 -0.216 0.000 0.807 200 L CB 1.136 43.065 42.059 -0.216 0.000 1.209 200 L HN 0.555 nan 8.230 nan 0.000 0.423 201 I N 5.888 126.392 120.570 -0.110 0.000 2.307 201 I HA 0.407 4.577 4.170 0.001 0.000 0.287 201 I C 0.726 176.807 176.117 -0.060 0.000 1.054 201 I CA -0.325 60.930 61.300 -0.074 0.000 1.218 201 I CB 0.410 38.376 38.000 -0.058 0.000 1.398 201 I HN 0.773 nan 8.210 nan 0.000 0.475 202 A N 5.932 128.720 122.820 -0.053 0.000 2.313 202 A HA 0.309 4.629 4.320 0.001 0.000 0.261 202 A C 1.343 178.911 177.584 -0.027 0.000 1.090 202 A CA -0.227 51.787 52.037 -0.040 0.000 0.807 202 A CB 0.571 19.549 19.000 -0.037 0.000 1.055 202 A HN 0.622 nan 8.150 nan 0.000 0.492 203 K N 0.624 121.012 120.400 -0.019 0.000 2.057 203 K HA -0.130 4.191 4.320 0.001 0.000 0.207 203 K C 1.338 177.930 176.600 -0.012 0.000 1.049 203 K CA 1.890 58.170 56.287 -0.012 0.000 0.931 203 K CB -0.161 32.334 32.500 -0.007 0.000 0.714 203 K HN 0.857 nan 8.250 nan 0.000 0.440 204 D N -1.343 119.049 120.400 -0.013 0.000 2.403 204 D HA -0.056 4.585 4.640 0.001 0.000 0.227 204 D C 1.170 177.461 176.300 -0.015 0.000 0.995 204 D CA 1.159 55.151 54.000 -0.012 0.000 0.928 204 D CB -0.165 40.627 40.800 -0.012 0.000 0.887 204 D HN 0.320 nan 8.370 nan 0.000 0.529 205 G N 0.140 108.929 108.800 -0.018 0.000 2.336 205 G HA2 -0.327 3.633 3.960 0.001 0.000 0.233 205 G HA3 -0.327 3.633 3.960 0.001 0.000 0.233 205 G C 0.506 175.391 174.900 -0.025 0.000 1.053 205 G CA 0.593 45.682 45.100 -0.019 0.000 0.625 205 G HN 0.943 nan 8.290 nan 0.000 0.511 206 S N -0.090 115.594 115.700 -0.026 0.000 2.580 206 S HA 0.562 5.033 4.470 0.001 0.000 0.266 206 S C 0.231 174.805 174.600 -0.043 0.000 1.354 206 S CA 1.036 59.217 58.200 -0.031 0.000 1.008 206 S CB 1.743 64.925 63.200 -0.030 0.000 0.898 206 S HN 1.653 nan 8.310 nan 0.000 0.555 207 S N 0.272 115.943 115.700 -0.048 0.000 2.521 207 S HA 0.648 5.118 4.470 0.001 0.000 0.295 207 S C -1.130 173.426 174.600 -0.074 0.000 1.098 207 S CA -0.620 57.542 58.200 -0.064 0.000 0.999 207 S CB 1.316 64.481 63.200 -0.058 0.000 1.034 207 S HN 0.856 nan 8.310 nan 0.000 0.483 208 T N 3.568 118.062 114.554 -0.101 0.000 2.847 208 T HA 0.360 4.710 4.350 0.001 0.000 0.291 208 T C -0.696 173.908 174.700 -0.159 0.000 0.998 208 T CA -0.433 61.598 62.100 -0.115 0.000 0.967 208 T CB 1.264 70.061 68.868 -0.118 0.000 0.954 208 T HN 0.471 nan 8.240 nan 0.000 0.441 209 V N 5.623 125.453 119.914 -0.140 0.000 2.439 209 V HA 0.139 4.259 4.120 0.001 0.000 0.271 209 V C 1.377 177.329 176.094 -0.236 0.000 1.040 209 V CA 0.071 62.273 62.300 -0.163 0.000 1.002 209 V CB 0.279 32.040 31.823 -0.103 0.000 1.000 209 V HN 0.858 nan 8.190 nan 0.000 0.477 210 L N 3.492 124.483 121.223 -0.386 0.000 2.162 210 L HA 0.195 4.536 4.340 0.001 0.000 0.205 210 L C 1.153 177.730 176.870 -0.489 0.000 1.086 210 L CA 0.969 55.389 54.840 -0.700 0.000 0.778 210 L CB -0.019 41.275 42.059 -1.276 0.000 0.928 210 L HN 0.547 nan 8.230 nan 0.000 0.446 211 K N -0.704 119.559 120.400 -0.229 0.000 2.690 211 K HA 0.340 4.660 4.320 0.001 0.000 0.264 211 K C 0.258 176.858 176.600 -0.000 0.000 1.040 211 K CA -0.022 56.270 56.287 0.008 0.000 0.946 211 K CB 1.616 34.245 32.500 0.215 0.000 1.268 211 K HN -0.067 nan 8.250 nan 0.000 0.473 212 A N 3.879 126.699 122.820 0.000 0.000 1.908 212 A HA -0.111 4.209 4.320 0.001 0.000 0.218 212 A C 0.627 178.222 177.584 0.019 0.000 1.181 212 A CA 1.399 53.435 52.037 -0.002 0.000 0.627 212 A CB -0.010 18.990 19.000 -0.001 0.000 0.818 212 A HN 0.543 nan 8.150 nan 0.000 0.445 213 K N -0.958 119.465 120.400 0.038 0.000 2.513 213 K HA 0.464 4.784 4.320 0.001 0.000 0.251 213 K C -1.828 174.808 176.600 0.059 0.000 0.939 213 K CA -0.284 56.029 56.287 0.043 0.000 0.793 213 K CB 1.738 34.257 32.500 0.032 0.000 1.241 213 K HN 0.035 nan 8.250 nan 0.000 0.431 214 T N 2.040 116.631 114.554 0.061 0.000 2.985 214 T HA 0.225 4.576 4.350 0.001 0.000 0.315 214 T C -0.834 173.897 174.700 0.051 0.000 1.001 214 T CA -0.573 61.567 62.100 0.066 0.000 1.016 214 T CB 1.386 70.308 68.868 0.090 0.000 0.993 214 T HN 0.489 nan 8.240 nan 0.000 0.454 215 S N 2.564 118.288 115.700 0.041 0.000 2.562 215 S HA 0.432 4.902 4.470 0.001 0.000 0.281 215 S C 0.518 175.138 174.600 0.033 0.000 1.333 215 S CA -0.688 57.531 58.200 0.033 0.000 1.052 215 S CB 0.378 63.594 63.200 0.027 0.000 0.884 215 S HN 0.702 nan 8.310 nan 0.000 0.506 216 V N 1.660 121.593 119.914 0.032 0.000 2.876 216 V HA 0.620 4.741 4.120 0.001 0.000 0.312 216 V C -0.798 175.313 176.094 0.028 0.000 1.085 216 V CA -1.090 61.229 62.300 0.032 0.000 0.945 216 V CB 1.580 33.425 31.823 0.037 0.000 1.017 216 V HN 0.822 nan 8.190 nan 0.000 0.428 217 Q N 2.005 121.822 119.800 0.027 0.000 2.204 217 Q HA 0.792 5.132 4.340 0.001 0.000 0.254 217 Q C 0.133 176.150 176.000 0.029 0.000 0.981 217 Q CA -0.588 55.230 55.803 0.026 0.000 0.897 217 Q CB 1.952 30.705 28.738 0.024 0.000 1.273 217 Q HN 1.188 nan 8.270 nan 0.000 0.464 218 A N 0.322 123.159 122.820 0.028 0.000 2.511 218 A HA 0.432 4.752 4.320 0.001 0.000 0.242 218 A C 1.095 178.703 177.584 0.039 0.000 1.069 218 A CA 0.732 52.788 52.037 0.031 0.000 0.763 218 A CB -0.789 18.228 19.000 0.028 0.000 1.001 218 A HN 0.985 nan 8.150 nan 0.000 0.498 219 G N 1.056 109.881 108.800 0.041 0.000 2.184 219 G HA2 -0.260 3.700 3.960 0.001 0.000 0.264 219 G HA3 -0.260 3.700 3.960 0.001 0.000 0.264 219 G C 0.222 175.154 174.900 0.054 0.000 0.975 219 G CA 0.658 45.790 45.100 0.054 0.000 0.642 219 G HN 1.121 nan 8.290 nan 0.000 0.536 220 E N 0.017 120.243 120.200 0.044 0.000 2.366 220 E HA 0.531 4.882 4.350 0.001 0.000 0.266 220 E C 0.303 176.927 176.600 0.040 0.000 1.051 220 E CA -0.670 55.755 56.400 0.042 0.000 0.884 220 E CB 0.334 30.056 29.700 0.036 0.000 1.006 220 E HN 0.351 nan 8.360 nan 0.000 0.417 221 I N 5.955 126.551 120.570 0.045 0.000 2.354 221 I HA 0.304 4.475 4.170 0.001 0.000 0.292 221 I C -0.052 176.107 176.117 0.071 0.000 0.989 221 I CA -0.690 60.639 61.300 0.048 0.000 1.188 221 I CB 0.982 39.000 38.000 0.029 0.000 1.342 221 I HN 0.453 nan 8.210 nan 0.000 0.457 222 I N 3.052 123.659 120.570 0.063 0.000 2.608 222 I HA 0.762 4.933 4.170 0.001 0.000 0.295 222 I C -1.705 174.441 176.117 0.050 0.000 1.049 222 I CA -0.560 60.770 61.300 0.051 0.000 1.063 222 I CB 2.225 40.254 38.000 0.049 0.000 1.248 222 I HN 0.512 nan 8.210 nan 0.000 0.424 223 D N 2.764 123.167 120.400 0.004 0.000 2.753 223 D HA 0.620 5.261 4.640 0.001 0.000 0.224 223 D C -1.032 175.180 176.300 -0.146 0.000 1.213 223 D CA -0.645 53.338 54.000 -0.028 0.000 0.833 223 D CB 2.055 42.861 40.800 0.011 0.000 1.607 223 D HN 0.743 nan 8.370 nan 0.000 0.463 224 S N -0.034 115.576 115.700 -0.151 0.000 2.566 224 S HA 0.919 5.390 4.470 0.001 0.000 0.298 224 S C -0.599 173.836 174.600 -0.275 0.000 1.083 224 S CA -0.673 57.309 58.200 -0.364 0.000 0.978 224 S CB 1.514 64.599 63.200 -0.192 0.000 1.073 224 S HN 1.037 nan 8.310 nan 0.000 0.491 225 S N -0.198 115.265 115.700 -0.394 0.000 2.588 225 S HA 0.784 5.254 4.470 0.001 0.000 0.269 225 S C -1.365 173.258 174.600 0.038 0.000 1.157 225 S CA -0.732 57.422 58.200 -0.078 0.000 0.824 225 S CB 1.150 64.373 63.200 0.038 0.000 1.126 225 S HN 1.849 nan 8.310 nan 0.000 0.464 226 V N 1.603 121.636 119.914 0.198 0.000 2.808 226 V HA 0.791 4.912 4.120 0.001 0.000 0.308 226 V C -1.498 174.510 176.094 -0.143 0.000 1.099 226 V CA -0.766 61.640 62.300 0.177 0.000 0.920 226 V CB 2.010 33.974 31.823 0.236 0.000 1.014 226 V HN 1.133 nan 8.190 nan 0.000 0.425 227 M N 6.161 125.489 119.600 -0.453 0.000 2.063 227 M HA 0.511 4.991 4.480 0.001 0.000 0.348 227 M C 0.002 176.171 176.300 -0.217 0.000 1.180 227 M CA 0.413 55.318 55.300 -0.658 0.000 1.059 227 M CB 0.868 32.859 32.600 -1.014 0.000 1.544 227 M HN 0.843 nan 8.290 nan 0.000 0.447 228 S N 4.036 119.656 115.700 -0.134 0.000 2.510 228 S HA 0.149 4.620 4.470 0.001 0.000 0.279 228 S C 1.134 175.723 174.600 -0.018 0.000 1.284 228 S CA -0.151 58.027 58.200 -0.037 0.000 1.059 228 S CB 0.362 63.554 63.200 -0.013 0.000 0.901 228 S HN 0.945 nan 8.310 nan 0.000 0.491 229 K N 4.419 124.828 120.400 0.015 0.000 2.057 229 K HA -0.121 4.200 4.320 0.001 0.000 0.207 229 K C 1.622 178.247 176.600 0.041 0.000 1.049 229 K CA 1.523 57.830 56.287 0.033 0.000 0.931 229 K CB -0.166 32.361 32.500 0.044 0.000 0.714 229 K HN 0.635 nan 8.250 nan 0.000 0.440 230 N N 0.645 119.368 118.700 0.038 0.000 2.120 230 N HA -0.147 4.593 4.740 0.001 0.000 0.188 230 N C 1.702 177.244 175.510 0.053 0.000 1.024 230 N CA 1.424 54.500 53.050 0.043 0.000 0.852 230 N CB -0.358 38.151 38.487 0.036 0.000 1.003 230 N HN 0.308 nan 8.380 nan 0.000 0.424 231 A N 1.204 124.051 122.820 0.045 0.000 1.877 231 A HA -0.106 4.215 4.320 0.001 0.000 0.216 231 A C 2.253 179.899 177.584 0.104 0.000 1.186 231 A CA 1.024 53.096 52.037 0.058 0.000 0.620 231 A CB -0.790 18.221 19.000 0.020 0.000 0.822 231 A HN 0.241 nan 8.150 nan 0.000 0.443 232 L N -0.030 121.242 121.223 0.082 0.000 2.017 232 L HA -0.140 4.201 4.340 0.001 0.000 0.208 232 L C 2.457 179.452 176.870 0.210 0.000 1.073 232 L CA 2.506 57.439 54.840 0.154 0.000 0.745 232 L CB -0.678 41.434 42.059 0.088 0.000 0.894 232 L HN 0.481 nan 8.230 nan 0.000 0.432 233 R N -0.679 119.896 120.500 0.124 0.000 2.081 233 R HA -0.167 4.173 4.340 0.001 0.000 0.235 233 R C 2.125 178.477 176.300 0.087 0.000 1.131 233 R CA 1.699 57.856 56.100 0.095 0.000 0.960 233 R CB -0.316 30.022 30.300 0.064 0.000 0.856 233 R HN 0.537 nan 8.270 nan 0.000 0.436 234 N N -0.073 118.687 118.700 0.100 0.000 2.244 234 N HA -0.179 4.562 4.740 0.001 0.000 0.183 234 N C 1.630 177.209 175.510 0.115 0.000 1.016 234 N CA 1.268 54.369 53.050 0.085 0.000 0.866 234 N CB -0.168 38.367 38.487 0.081 0.000 0.980 234 N HN 0.228 nan 8.380 nan 0.000 0.430 235 F N 2.060 122.024 119.950 0.024 0.000 2.084 235 F HA -0.060 4.468 4.527 0.001 0.000 0.296 235 F C 2.169 177.988 175.800 0.032 0.000 1.111 235 F CA 1.131 59.148 58.000 0.030 0.000 1.224 235 F CB -0.305 38.717 39.000 0.038 0.000 0.991 235 F HN -0.135 nan 8.300 nan 0.000 0.471 236 I N 0.972 121.427 120.570 -0.191 0.000 2.208 236 I HA -0.312 3.858 4.170 0.001 0.000 0.245 236 I C 2.803 178.797 176.117 -0.204 0.000 1.097 236 I CA 1.202 62.325 61.300 -0.295 0.000 1.363 236 I CB -1.154 36.824 38.000 -0.036 0.000 1.051 236 I HN 0.321 nan 8.210 nan 0.000 0.413 237 A N 0.959 123.718 122.820 -0.101 0.000 1.883 237 A HA -0.190 4.130 4.320 0.001 0.000 0.217 237 A C 2.577 180.100 177.584 -0.101 0.000 1.186 237 A CA 2.084 54.074 52.037 -0.079 0.000 0.624 237 A CB -0.907 18.070 19.000 -0.039 0.000 0.822 237 A HN 0.442 nan 8.150 nan 0.000 0.444 238 A N -0.561 122.194 122.820 -0.108 0.000 1.902 238 A HA -0.131 4.190 4.320 0.001 0.000 0.217 238 A C 1.925 179.430 177.584 -0.132 0.000 1.181 238 A CA 1.697 53.678 52.037 -0.093 0.000 0.623 238 A CB -0.412 18.560 19.000 -0.048 0.000 0.818 238 A HN 0.454 nan 8.150 nan 0.000 0.443 239 E N -0.003 120.042 120.200 -0.257 0.000 2.150 239 E HA -0.101 4.249 4.350 0.001 0.000 0.193 239 E C 1.948 178.470 176.600 -0.130 0.000 0.985 239 E CA 0.792 57.049 56.400 -0.239 0.000 0.814 239 E CB -0.409 29.001 29.700 -0.483 0.000 0.752 239 E HN 0.736 nan 8.360 nan 0.000 0.466 240 I N 1.228 121.724 120.570 -0.122 0.000 2.179 240 I HA -0.263 3.907 4.170 0.001 0.000 0.242 240 I C 2.255 178.341 176.117 -0.052 0.000 1.088 240 I CA 1.202 62.470 61.300 -0.052 0.000 1.357 240 I CB -0.224 37.741 38.000 -0.058 0.000 1.051 240 I HN 0.092 nan 8.210 nan 0.000 0.409 241 E N 0.454 120.613 120.200 -0.067 0.000 2.051 241 E HA -0.293 4.057 4.350 0.001 0.000 0.192 241 E C 1.669 178.249 176.600 -0.033 0.000 0.991 241 E CA 1.763 58.131 56.400 -0.053 0.000 0.799 241 E CB -0.188 29.481 29.700 -0.052 0.000 0.748 241 E HN 0.458 nan 8.360 nan 0.000 0.449 242 D N 0.296 120.679 120.400 -0.029 0.000 2.144 242 D HA -0.106 4.534 4.640 0.001 0.000 0.200 242 D C 1.900 178.210 176.300 0.017 0.000 0.978 242 D CA 1.293 55.290 54.000 -0.005 0.000 0.833 242 D CB 0.029 40.831 40.800 0.002 0.000 0.961 242 D HN 0.154 nan 8.370 nan 0.000 0.470 243 A N 0.544 123.375 122.820 0.019 0.000 1.902 243 A HA -0.209 4.111 4.320 0.001 0.000 0.217 243 A C 2.129 179.725 177.584 0.021 0.000 1.181 243 A CA 1.778 53.835 52.037 0.035 0.000 0.623 243 A CB -0.659 18.358 19.000 0.028 0.000 0.818 243 A HN 0.245 nan 8.150 nan 0.000 0.443 244 K N -0.050 120.353 120.400 0.005 0.000 2.026 244 K HA -0.192 4.128 4.320 0.001 0.000 0.208 244 K C 2.205 178.801 176.600 -0.007 0.000 1.048 244 K CA 1.775 58.059 56.287 -0.005 0.000 0.929 244 K CB -0.212 32.275 32.500 -0.021 0.000 0.713 244 K HN 0.448 nan 8.250 nan 0.000 0.439 245 K N 0.620 121.016 120.400 -0.007 0.000 2.032 245 K HA -0.203 4.118 4.320 0.001 0.000 0.209 245 K C 1.939 178.538 176.600 -0.001 0.000 1.048 245 K CA 1.848 58.130 56.287 -0.007 0.000 0.927 245 K CB 0.005 32.499 32.500 -0.010 0.000 0.712 245 K HN 0.288 nan 8.250 nan 0.000 0.441 246 Q N -0.887 118.919 119.800 0.009 0.000 2.435 246 Q HA 0.031 4.372 4.340 0.001 0.000 0.207 246 Q C 0.588 176.598 176.000 0.015 0.000 0.956 246 Q CA 0.630 56.443 55.803 0.017 0.000 0.917 246 Q CB 0.424 29.185 28.738 0.040 0.000 0.997 246 Q HN 0.658 nan 8.270 nan 0.000 0.497 247 G N 1.445 110.249 108.800 0.007 0.000 2.256 247 G HA2 -0.229 3.731 3.960 0.001 0.000 0.272 247 G HA3 -0.229 3.731 3.960 0.001 0.000 0.272 247 G C 0.078 174.974 174.900 -0.008 0.000 1.076 247 G CA 0.317 45.412 45.100 -0.008 0.000 0.882 247 G HN 0.306 nan 8.290 nan 0.000 0.497 248 V N -2.636 117.285 119.914 0.012 0.000 3.019 248 V HA 0.859 4.979 4.120 0.001 0.000 0.317 248 V C 0.876 176.972 176.094 0.004 0.000 1.094 248 V CA -1.816 60.494 62.300 0.017 0.000 1.000 248 V CB 1.921 33.778 31.823 0.056 0.000 1.060 248 V HN 0.334 nan 8.190 nan 0.000 0.443 249 L N 2.310 123.535 121.223 0.003 0.000 2.380 249 L HA 0.347 4.688 4.340 0.001 0.000 0.273 249 L C -0.163 176.712 176.870 0.008 0.000 1.138 249 L CA -0.286 54.558 54.840 0.007 0.000 0.832 249 L CB 1.042 43.117 42.059 0.027 0.000 1.124 249 L HN 0.587 nan 8.230 nan 0.000 0.454 250 L N 3.911 125.141 121.223 0.012 0.000 2.265 250 L HA 0.388 4.729 4.340 0.001 0.000 0.288 250 L C 0.148 177.007 176.870 -0.017 0.000 1.058 250 L CA 0.452 55.293 54.840 0.003 0.000 0.809 250 L CB 1.120 43.196 42.059 0.029 0.000 1.179 250 L HN 0.732 nan 8.230 nan 0.000 0.429 251 S N 3.724 119.425 115.700 0.002 0.000 2.599 251 S HA 0.897 5.367 4.470 0.001 0.000 0.294 251 S C -0.942 173.647 174.600 -0.019 0.000 1.094 251 S CA -0.828 57.359 58.200 -0.022 0.000 0.931 251 S CB 1.944 65.178 63.200 0.057 0.000 1.093 251 S HN 0.388 nan 8.310 nan 0.000 0.488 252 V N 2.601 122.424 119.914 -0.152 0.000 2.577 252 V HA 0.463 4.583 4.120 0.001 0.000 0.303 252 V C -1.053 174.917 176.094 -0.206 0.000 1.042 252 V CA -0.546 61.729 62.300 -0.041 0.000 0.872 252 V CB 1.543 33.370 31.823 0.007 0.000 0.998 252 V HN 0.988 nan 8.190 nan 0.000 0.423 253 H N 6.165 125.296 119.070 0.100 0.000 2.786 253 H HA 0.587 5.143 4.556 0.001 0.000 0.284 253 H C -0.767 174.626 175.328 0.108 0.000 1.104 253 H CA -0.184 55.901 56.048 0.062 0.000 1.339 253 H CB 1.574 31.308 29.762 -0.048 0.000 1.427 253 H HN 0.423 nan 8.280 nan 0.000 0.497 254 L N 1.397 122.734 121.223 0.190 0.000 2.211 254 L HA 0.438 4.778 4.340 0.001 0.000 0.259 254 L C 0.336 177.286 176.870 0.134 0.000 1.031 254 L CA -1.041 53.916 54.840 0.195 0.000 0.877 254 L CB 1.516 43.711 42.059 0.227 0.000 1.457 254 L HN 0.195 nan 8.230 nan 0.000 0.466 255 K N 0.004 120.480 120.400 0.126 0.000 3.122 255 K HA 0.418 4.739 4.320 0.001 0.000 0.193 255 K C 0.400 177.010 176.600 0.017 0.000 1.141 255 K CA 0.119 56.454 56.287 0.079 0.000 0.975 255 K CB 0.636 33.205 32.500 0.115 0.000 1.173 255 K HN 0.605 nan 8.250 nan 0.000 0.546 256 A N 0.031 122.840 122.820 -0.019 0.000 1.908 256 A HA -0.152 4.168 4.320 0.001 0.000 0.218 256 A C 1.839 179.369 177.584 -0.090 0.000 1.181 256 A CA 2.284 54.279 52.037 -0.069 0.000 0.627 256 A CB -0.673 18.225 19.000 -0.169 0.000 0.818 256 A HN 0.552 nan 8.150 nan 0.000 0.445 257 T N -0.605 113.896 114.554 -0.088 0.000 2.737 257 T HA -0.131 4.220 4.350 0.001 0.000 0.265 257 T C 1.986 176.608 174.700 -0.130 0.000 1.038 257 T CA 1.596 63.638 62.100 -0.098 0.000 1.144 257 T CB -0.221 68.603 68.868 -0.072 0.000 0.866 257 T HN 0.401 nan 8.240 nan 0.000 0.434 258 M N 0.458 119.984 119.600 -0.124 0.000 2.160 258 M HA 0.146 4.627 4.480 0.001 0.000 0.264 258 M C 0.463 176.592 176.300 -0.285 0.000 1.073 258 M CA 1.286 56.471 55.300 -0.191 0.000 1.142 258 M CB -0.334 32.172 32.600 -0.157 0.000 1.358 258 M HN 0.108 nan 8.290 nan 0.000 0.422 259 M N 2.670 122.189 119.600 -0.134 0.000 3.690 259 M HA 0.068 4.548 4.480 0.001 0.000 0.209 259 M C 1.173 177.429 176.300 -0.073 0.000 1.403 259 M CA 0.208 55.496 55.300 -0.019 0.000 1.621 259 M CB -1.063 31.553 32.600 0.026 0.000 1.056 259 M HN 0.251 nan 8.290 nan 0.000 0.593 260 K N -0.913 119.346 120.400 -0.235 0.000 2.360 260 K HA -0.074 4.246 4.320 0.001 0.000 0.201 260 K C 1.009 177.571 176.600 -0.063 0.000 1.046 260 K CA 1.165 57.353 56.287 -0.165 0.000 0.940 260 K CB -0.124 32.232 32.500 -0.241 0.000 0.748 260 K HN 0.300 nan 8.250 nan 0.000 0.465 261 V N 1.133 121.044 119.914 -0.005 0.000 2.599 261 V HA -0.154 3.967 4.120 0.001 0.000 0.237 261 V C 2.578 178.712 176.094 0.067 0.000 1.081 261 V CA 1.320 63.636 62.300 0.027 0.000 1.107 261 V CB 0.296 32.128 31.823 0.015 0.000 0.808 261 V HN 0.551 nan 8.190 nan 0.000 0.486 262 S N 0.767 116.522 115.700 0.093 0.000 2.355 262 S HA -0.232 4.239 4.470 0.001 0.000 0.222 262 S C 1.579 176.282 174.600 0.172 0.000 1.031 262 S CA 1.873 60.169 58.200 0.159 0.000 0.993 262 S CB -0.650 62.659 63.200 0.180 0.000 0.859 262 S HN 0.531 nan 8.310 nan 0.000 0.453 263 D N 2.975 123.458 120.400 0.139 0.000 2.144 263 D HA 0.077 4.717 4.640 0.001 0.000 0.200 263 D C -0.684 175.710 176.300 0.158 0.000 0.978 263 D CA 0.863 54.956 54.000 0.156 0.000 0.833 263 D CB -1.474 39.397 40.800 0.118 0.000 0.961 263 D HN 0.390 nan 8.370 nan 0.000 0.470 264 P HA -0.017 nan 4.420 nan 0.000 0.219 264 P C 1.427 178.823 177.300 0.160 0.000 1.150 264 P CA 0.738 63.895 63.100 0.096 0.000 0.814 264 P CB 0.149 31.864 31.700 0.024 0.000 0.787 265 I N -1.803 118.849 120.570 0.137 0.000 2.202 265 I HA -0.230 3.940 4.170 0.001 0.000 0.242 265 I C 2.324 178.533 176.117 0.154 0.000 1.091 265 I CA 1.596 62.974 61.300 0.130 0.000 1.368 265 I CB -0.518 37.555 38.000 0.122 0.000 1.058 265 I HN -0.078 nan 8.210 nan 0.000 0.410 266 M N -0.428 119.281 119.600 0.181 0.000 2.117 266 M HA -0.223 4.258 4.480 0.001 0.000 0.262 266 M C 2.370 178.789 176.300 0.199 0.000 1.065 266 M CA 1.942 57.349 55.300 0.179 0.000 1.114 266 M CB -0.443 32.277 32.600 0.199 0.000 1.361 266 M HN 0.154 nan 8.290 nan 0.000 0.408 267 F N 0.918 120.923 119.950 0.091 0.000 2.095 267 F HA -0.132 4.396 4.527 0.001 0.000 0.298 267 F C 2.258 178.108 175.800 0.082 0.000 1.104 267 F CA 1.908 59.957 58.000 0.083 0.000 1.232 267 F CB -0.725 38.313 39.000 0.063 0.000 0.987 267 F HN 0.100 nan 8.300 nan 0.000 0.475 268 G N -0.921 108.024 108.800 0.242 0.000 2.432 268 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 268 G HA3 -0.246 3.715 3.960 0.001 0.000 0.219 268 G C 1.483 176.427 174.900 0.073 0.000 1.135 268 G CA 0.717 45.896 45.100 0.131 0.000 0.767 268 G HN 0.439 nan 8.290 nan 0.000 0.550 269 Q N -0.440 119.407 119.800 0.078 0.000 2.167 269 Q HA 0.075 4.416 4.340 0.001 0.000 0.202 269 Q C 2.550 178.585 176.000 0.059 0.000 0.970 269 Q CA 0.629 56.475 55.803 0.072 0.000 0.855 269 Q CB -0.094 28.694 28.738 0.083 0.000 0.911 269 Q HN 0.539 nan 8.270 nan 0.000 0.438 270 I N -0.306 120.271 120.570 0.012 0.000 2.286 270 I HA -0.231 3.939 4.170 0.001 0.000 0.245 270 I C 2.147 178.269 176.117 0.008 0.000 1.104 270 I CA 0.710 61.995 61.300 -0.024 0.000 1.397 270 I CB -0.185 37.731 38.000 -0.140 0.000 1.072 270 I HN 0.018 nan 8.210 nan 0.000 0.417 271 V N 0.242 120.136 119.914 -0.033 0.000 2.295 271 V HA -0.287 3.833 4.120 0.001 0.000 0.246 271 V C 2.557 178.831 176.094 0.300 0.000 1.049 271 V CA 2.192 64.587 62.300 0.159 0.000 1.024 271 V CB -0.628 31.267 31.823 0.120 0.000 0.648 271 V HN 0.374 nan 8.190 nan 0.000 0.447 272 S N -0.483 115.328 115.700 0.184 0.000 2.370 272 S HA -0.265 4.206 4.470 0.001 0.000 0.226 272 S C 2.043 176.735 174.600 0.152 0.000 1.033 272 S CA 1.930 60.234 58.200 0.174 0.000 1.011 272 S CB -0.283 62.985 63.200 0.113 0.000 0.852 272 S HN 0.693 nan 8.310 nan 0.000 0.457 273 E N 0.684 120.955 120.200 0.117 0.000 2.072 273 E HA -0.029 4.322 4.350 0.001 0.000 0.190 273 E C 1.657 178.281 176.600 0.041 0.000 0.982 273 E CA 0.798 57.237 56.400 0.065 0.000 0.803 273 E CB -0.403 29.323 29.700 0.043 0.000 0.755 273 E HN 0.462 nan 8.360 nan 0.000 0.453 274 F N -0.295 119.610 119.950 -0.074 0.000 2.069 274 F HA -0.179 4.348 4.527 0.001 0.000 0.298 274 F C 1.126 176.744 175.800 -0.303 0.000 1.113 274 F CA 1.562 59.424 58.000 -0.230 0.000 1.214 274 F CB -0.119 38.664 39.000 -0.362 0.000 0.978 274 F HN 0.082 nan 8.300 nan 0.000 0.474 275 Y N 1.018 121.409 120.300 0.151 0.000 2.532 275 Y HA 0.131 4.682 4.550 0.001 0.000 0.283 275 Y C 1.915 177.799 175.900 -0.026 0.000 1.181 275 Y CA -0.141 57.972 58.100 0.022 0.000 1.256 275 Y CB -0.839 37.661 38.460 0.067 0.000 1.112 275 Y HN 0.101 nan 8.280 nan 0.000 0.521 276 K N -0.352 120.094 120.400 0.076 0.000 2.089 276 K HA -0.267 4.053 4.320 0.001 0.000 0.210 276 K C 0.777 177.382 176.600 0.008 0.000 1.048 276 K CA 2.315 58.629 56.287 0.044 0.000 0.926 276 K CB -0.261 32.244 32.500 0.008 0.000 0.714 276 K HN 0.144 nan 8.250 nan 0.000 0.448 277 D N 1.262 121.643 120.400 -0.031 0.000 2.123 277 D HA -0.135 4.505 4.640 0.001 0.000 0.196 277 D C 2.031 178.308 176.300 -0.038 0.000 0.992 277 D CA 1.896 55.868 54.000 -0.047 0.000 0.833 277 D CB -0.253 40.505 40.800 -0.071 0.000 0.954 277 D HN 0.486 nan 8.370 nan 0.000 0.455 278 A N 0.160 122.981 122.820 0.002 0.000 1.898 278 A HA 0.011 4.331 4.320 0.001 0.000 0.214 278 A C 2.355 179.969 177.584 0.050 0.000 1.183 278 A CA 0.492 52.551 52.037 0.037 0.000 0.622 278 A CB -0.580 18.456 19.000 0.060 0.000 0.824 278 A HN 0.173 nan 8.150 nan 0.000 0.444 279 L N -0.650 120.602 121.223 0.049 0.000 2.093 279 L HA -0.137 4.203 4.340 0.001 0.000 0.208 279 L C 2.717 179.613 176.870 0.044 0.000 1.085 279 L CA 1.667 56.542 54.840 0.058 0.000 0.755 279 L CB -0.964 41.167 42.059 0.120 0.000 0.904 279 L HN 0.309 nan 8.230 nan 0.000 0.435 280 T N -0.415 114.147 114.554 0.013 0.000 2.701 280 T HA -0.216 4.134 4.350 0.001 0.000 0.263 280 T C 1.925 176.588 174.700 -0.062 0.000 1.040 280 T CA 1.457 63.550 62.100 -0.011 0.000 1.147 280 T CB -0.092 68.764 68.868 -0.020 0.000 0.865 280 T HN 0.239 nan 8.240 nan 0.000 0.426 281 K N 0.462 120.779 120.400 -0.138 0.000 2.044 281 K HA -0.182 4.139 4.320 0.001 0.000 0.210 281 K C 1.320 177.711 176.600 -0.348 0.000 1.049 281 K CA 1.487 57.602 56.287 -0.288 0.000 0.927 281 K CB -0.113 32.114 32.500 -0.455 0.000 0.713 281 K HN 0.431 nan 8.250 nan 0.000 0.443 282 H N -0.434 118.613 119.070 -0.038 0.000 2.568 282 H HA 0.223 4.780 4.556 0.001 0.000 0.302 282 H C 1.276 176.587 175.328 -0.029 0.000 1.065 282 H CA 0.398 56.417 56.048 -0.047 0.000 1.140 282 H CB 0.456 30.166 29.762 -0.087 0.000 1.474 282 H HN 0.337 nan 8.280 nan 0.000 0.545 283 A N 1.164 124.017 122.820 0.054 0.000 1.873 283 A HA -0.229 4.092 4.320 0.001 0.000 0.218 283 A C 2.288 179.909 177.584 0.062 0.000 1.193 283 A CA 1.646 53.720 52.037 0.061 0.000 0.629 283 A CB -0.233 18.789 19.000 0.038 0.000 0.826 283 A HN 0.418 nan 8.150 nan 0.000 0.447 284 E N -0.984 119.244 120.200 0.045 0.000 2.038 284 E HA -0.167 4.184 4.350 0.001 0.000 0.195 284 E C 2.031 178.657 176.600 0.044 0.000 1.000 284 E CA 1.422 57.846 56.400 0.040 0.000 0.803 284 E CB -0.387 29.330 29.700 0.029 0.000 0.750 284 E HN 0.385 nan 8.360 nan 0.000 0.448 285 V N 1.265 121.208 119.914 0.048 0.000 2.515 285 V HA -0.196 3.924 4.120 0.001 0.000 0.250 285 V C 2.064 178.171 176.094 0.022 0.000 1.058 285 V CA 1.284 63.602 62.300 0.029 0.000 1.064 285 V CB -0.195 31.639 31.823 0.019 0.000 0.675 285 V HN 0.243 nan 8.190 nan 0.000 0.461 286 L N -0.186 121.059 121.223 0.037 0.000 2.141 286 L HA -0.161 4.180 4.340 0.001 0.000 0.209 286 L C 2.571 179.515 176.870 0.123 0.000 1.094 286 L CA 2.074 56.946 54.840 0.054 0.000 0.763 286 L CB -0.582 41.517 42.059 0.067 0.000 0.908 286 L HN 0.330 nan 8.230 nan 0.000 0.437 287 K N 0.137 120.595 120.400 0.097 0.000 2.103 287 K HA -0.185 4.135 4.320 0.001 0.000 0.204 287 K C 2.097 178.733 176.600 0.060 0.000 1.052 287 K CA 1.148 57.484 56.287 0.082 0.000 0.945 287 K CB 0.072 32.609 32.500 0.061 0.000 0.722 287 K HN 0.300 nan 8.250 nan 0.000 0.443 288 Q N 0.546 120.374 119.800 0.046 0.000 2.124 288 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 288 Q C 1.956 177.975 176.000 0.032 0.000 0.977 288 Q CA 1.773 57.596 55.803 0.032 0.000 0.850 288 Q CB -0.165 28.586 28.738 0.023 0.000 0.901 288 Q HN 0.567 nan 8.270 nan 0.000 0.429 289 I N -4.114 116.479 120.570 0.038 0.000 3.684 289 I HA 0.324 4.494 4.170 0.001 0.000 0.304 289 I C 0.826 176.981 176.117 0.064 0.000 1.278 289 I CA 0.539 61.862 61.300 0.038 0.000 1.272 289 I CB -0.179 37.832 38.000 0.018 0.000 1.029 289 I HN 0.179 nan 8.210 nan 0.000 0.458 290 G N 2.170 111.017 108.800 0.078 0.000 2.198 290 G HA2 -0.341 3.620 3.960 0.001 0.000 0.257 290 G HA3 -0.341 3.620 3.960 0.001 0.000 0.257 290 G C 0.110 175.080 174.900 0.118 0.000 1.042 290 G CA 0.141 45.287 45.100 0.076 0.000 0.791 290 G HN 0.645 nan 8.290 nan 0.000 0.502 291 F N 0.982 120.924 119.950 -0.014 0.000 2.608 291 F HA 0.373 4.901 4.527 0.001 0.000 0.380 291 F C 0.487 176.284 175.800 -0.003 0.000 1.083 291 F CA 0.224 58.211 58.000 -0.021 0.000 1.266 291 F CB 0.673 39.648 39.000 -0.041 0.000 1.076 291 F HN 0.134 nan 8.300 nan 0.000 0.574 292 D N 6.421 126.491 120.400 -0.551 0.000 2.464 292 D HA 0.085 4.725 4.640 0.001 0.000 0.243 292 D C 0.558 176.342 176.300 -0.859 0.000 1.104 292 D CA -0.367 53.305 54.000 -0.546 0.000 0.883 292 D CB 1.354 42.034 40.800 -0.201 0.000 1.050 292 D HN 0.424 nan 8.370 nan 0.000 0.524 293 V N 4.214 123.468 119.914 -1.100 0.000 2.546 293 V HA -0.224 3.896 4.120 0.001 0.000 0.254 293 V C 1.282 177.276 176.094 -0.166 0.000 1.076 293 V CA 1.689 63.575 62.300 -0.690 0.000 1.087 293 V CB -0.427 31.207 31.823 -0.316 0.000 0.674 293 V HN 0.510 nan 8.190 nan 0.000 0.470 294 N N 0.825 119.454 118.700 -0.119 0.000 2.550 294 N HA -0.083 4.658 4.740 0.001 0.000 0.186 294 N C 1.312 176.853 175.510 0.052 0.000 1.110 294 N CA 1.016 54.087 53.050 0.036 0.000 0.912 294 N CB -0.546 37.949 38.487 0.012 0.000 0.968 294 N HN 0.577 nan 8.380 nan 0.000 0.448 295 N N 0.307 119.003 118.700 -0.007 0.000 2.235 295 N HA 0.176 4.917 4.740 0.001 0.000 0.209 295 N C 0.036 175.607 175.510 0.102 0.000 1.122 295 N CA 0.257 53.315 53.050 0.013 0.000 0.845 295 N CB 0.247 38.731 38.487 -0.005 0.000 1.004 295 N HN 0.193 nan 8.380 nan 0.000 0.499 296 G N 0.371 109.311 108.800 0.234 0.000 2.781 296 G HA2 -0.265 3.696 3.960 0.001 0.000 0.683 296 G HA3 -0.265 3.696 3.960 0.001 0.000 0.683 296 G C 0.441 175.495 174.900 0.256 0.000 1.390 296 G CA -0.225 45.094 45.100 0.365 0.000 0.850 296 G HN 0.196 nan 8.290 nan 0.000 0.557 297 I N 1.773 122.408 120.570 0.108 0.000 2.614 297 I HA 0.125 4.296 4.170 0.001 0.000 0.258 297 I C 2.614 178.687 176.117 -0.073 0.000 1.189 297 I CA 2.532 63.751 61.300 -0.136 0.000 1.462 297 I CB -0.527 37.135 38.000 -0.564 0.000 1.092 297 I HN 0.928 nan 8.210 nan 0.000 0.442 298 G N -0.462 108.362 108.800 0.039 0.000 2.448 298 G HA2 -0.330 3.630 3.960 0.001 0.000 0.219 298 G HA3 -0.330 3.630 3.960 0.001 0.000 0.219 298 G C 1.410 176.426 174.900 0.193 0.000 1.127 298 G CA 0.993 46.215 45.100 0.203 0.000 0.766 298 G HN 0.452 nan 8.290 nan 0.000 0.552 299 D N -0.352 120.170 120.400 0.203 0.000 2.178 299 D HA -0.046 4.594 4.640 0.001 0.000 0.202 299 D C 2.310 178.737 176.300 0.212 0.000 0.974 299 D CA 0.486 54.629 54.000 0.237 0.000 0.841 299 D CB -0.080 40.887 40.800 0.279 0.000 0.953 299 D HN 0.306 nan 8.370 nan 0.000 0.478 300 L N -0.850 120.379 121.223 0.011 0.000 2.044 300 L HA -0.140 4.201 4.340 0.001 0.000 0.205 300 L C 1.761 178.427 176.870 -0.340 0.000 1.075 300 L CA 1.091 55.637 54.840 -0.490 0.000 0.747 300 L CB -0.343 41.059 42.059 -1.095 0.000 0.903 300 L HN 0.135 nan 8.230 nan 0.000 0.435 301 Y N -0.136 120.085 120.300 -0.133 0.000 2.274 301 Y HA -0.249 4.302 4.550 0.001 0.000 0.290 301 Y C 2.577 178.459 175.900 -0.031 0.000 1.145 301 Y CA 1.165 59.221 58.100 -0.072 0.000 1.203 301 Y CB -0.460 37.990 38.460 -0.015 0.000 0.984 301 Y HN 0.353 nan 8.280 nan 0.000 0.533 302 A N 0.287 123.186 122.820 0.132 0.000 1.872 302 A HA -0.131 4.189 4.320 0.001 0.000 0.214 302 A C 2.134 179.747 177.584 0.048 0.000 1.187 302 A CA 1.299 53.390 52.037 0.090 0.000 0.614 302 A CB -0.411 18.643 19.000 0.089 0.000 0.826 302 A HN 0.368 nan 8.150 nan 0.000 0.442 303 R N 0.003 120.522 120.500 0.031 0.000 2.189 303 R HA 0.037 4.378 4.340 0.001 0.000 0.218 303 R C 1.857 178.141 176.300 -0.025 0.000 1.074 303 R CA 1.222 57.331 56.100 0.015 0.000 0.991 303 R CB -0.500 29.827 30.300 0.045 0.000 0.883 303 R HN 0.816 nan 8.270 nan 0.000 0.457 304 I N -1.657 118.873 120.570 -0.066 0.000 3.291 304 I HA -0.043 4.128 4.170 0.001 0.000 0.279 304 I C 1.088 177.180 176.117 -0.042 0.000 1.294 304 I CA 0.962 62.209 61.300 -0.088 0.000 1.428 304 I CB -0.117 37.788 38.000 -0.159 0.000 1.070 304 I HN -0.108 nan 8.210 nan 0.000 0.478 305 K N 1.458 121.852 120.400 -0.010 0.000 2.442 305 K HA -0.059 4.262 4.320 0.001 0.000 0.198 305 K C 1.805 178.403 176.600 -0.003 0.000 1.042 305 K CA 1.662 57.950 56.287 0.003 0.000 0.958 305 K CB -0.188 32.323 32.500 0.018 0.000 0.766 305 K HN 0.620 nan 8.250 nan 0.000 0.474 306 T N -1.714 112.835 114.554 -0.008 0.000 3.107 306 T HA 0.177 4.527 4.350 0.001 0.000 0.249 306 T C 0.710 175.403 174.700 -0.012 0.000 1.096 306 T CA -0.134 61.962 62.100 -0.006 0.000 1.012 306 T CB -0.037 68.830 68.868 -0.002 0.000 0.977 306 T HN -0.083 nan 8.240 nan 0.000 0.527 307 L N 0.990 122.199 121.223 -0.022 0.000 2.387 307 L HA 0.516 4.857 4.340 0.001 0.000 0.266 307 L C -2.390 174.467 176.870 -0.023 0.000 1.059 307 L CA -3.014 51.809 54.840 -0.028 0.000 0.801 307 L CB 0.531 42.561 42.059 -0.049 0.000 1.223 307 L HN -0.158 nan 8.230 nan 0.000 0.456 308 P HA -0.021 nan 4.420 nan 0.000 0.268 308 P C 0.270 177.559 177.300 -0.018 0.000 1.204 308 P CA 0.032 63.123 63.100 -0.015 0.000 0.768 308 P CB 0.575 32.268 31.700 -0.011 0.000 0.842 309 E N 3.101 123.294 120.200 -0.012 0.000 2.171 309 E HA -0.298 4.053 4.350 0.001 0.000 0.197 309 E C 1.662 178.254 176.600 -0.013 0.000 0.997 309 E CA 1.564 57.958 56.400 -0.010 0.000 0.810 309 E CB -0.230 29.468 29.700 -0.003 0.000 0.738 309 E HN 0.515 nan 8.360 nan 0.000 0.467 310 A N 1.024 123.837 122.820 -0.011 0.000 1.902 310 A HA -0.212 4.109 4.320 0.001 0.000 0.217 310 A C 2.099 179.670 177.584 -0.020 0.000 1.181 310 A CA 1.871 53.902 52.037 -0.009 0.000 0.623 310 A CB -0.431 18.567 19.000 -0.003 0.000 0.818 310 A HN 0.125 nan 8.150 nan 0.000 0.443 311 K N 0.123 120.504 120.400 -0.032 0.000 2.097 311 K HA -0.120 4.201 4.320 0.001 0.000 0.205 311 K C 2.111 178.646 176.600 -0.107 0.000 1.050 311 K CA 1.911 58.161 56.287 -0.062 0.000 0.938 311 K CB -0.424 32.040 32.500 -0.061 0.000 0.718 311 K HN 0.630 nan 8.250 nan 0.000 0.442 312 Q N 0.095 119.847 119.800 -0.079 0.000 2.084 312 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 312 Q C 2.068 178.033 176.000 -0.059 0.000 0.978 312 Q CA 1.788 57.543 55.803 -0.080 0.000 0.844 312 Q CB -0.200 28.516 28.738 -0.036 0.000 0.898 312 Q HN 0.316 nan 8.270 nan 0.000 0.426 313 K N 1.134 121.516 120.400 -0.030 0.000 2.057 313 K HA -0.244 4.077 4.320 0.001 0.000 0.207 313 K C 2.010 178.603 176.600 -0.011 0.000 1.049 313 K CA 1.583 57.866 56.287 -0.006 0.000 0.931 313 K CB -0.013 32.488 32.500 0.003 0.000 0.714 313 K HN 0.189 nan 8.250 nan 0.000 0.440 314 E N 0.725 120.908 120.200 -0.028 0.000 2.031 314 E HA -0.203 4.147 4.350 0.001 0.000 0.193 314 E C 2.068 178.642 176.600 -0.043 0.000 0.994 314 E CA 1.455 57.851 56.400 -0.006 0.000 0.800 314 E CB -0.141 29.572 29.700 0.022 0.000 0.752 314 E HN 0.376 nan 8.360 nan 0.000 0.447 315 I N 1.147 121.580 120.570 -0.229 0.000 2.163 315 I HA -0.288 3.882 4.170 0.001 0.000 0.243 315 I C 2.421 178.450 176.117 -0.146 0.000 1.085 315 I CA 1.587 62.662 61.300 -0.374 0.000 1.347 315 I CB -0.381 37.298 38.000 -0.536 0.000 1.044 315 I HN 0.218 nan 8.210 nan 0.000 0.408 316 E N 0.790 120.947 120.200 -0.072 0.000 2.110 316 E HA -0.212 4.139 4.350 0.001 0.000 0.193 316 E C 2.300 178.947 176.600 0.078 0.000 0.988 316 E CA 1.253 57.686 56.400 0.055 0.000 0.804 316 E CB -0.163 29.609 29.700 0.120 0.000 0.745 316 E HN 0.541 nan 8.360 nan 0.000 0.458 317 A N 1.620 124.471 122.820 0.051 0.000 1.929 317 A HA -0.181 4.140 4.320 0.001 0.000 0.216 317 A C 1.689 179.310 177.584 0.061 0.000 1.176 317 A CA 1.401 53.476 52.037 0.062 0.000 0.628 317 A CB -0.169 18.860 19.000 0.049 0.000 0.816 317 A HN 0.074 nan 8.150 nan 0.000 0.444 318 D N -0.023 120.415 120.400 0.062 0.000 2.219 318 D HA -0.065 4.576 4.640 0.001 0.000 0.205 318 D C 1.809 178.125 176.300 0.027 0.000 0.970 318 D CA 0.882 54.920 54.000 0.063 0.000 0.851 318 D CB -0.200 40.687 40.800 0.144 0.000 0.943 318 D HN 0.528 nan 8.370 nan 0.000 0.488 319 I N 0.810 121.388 120.570 0.015 0.000 2.286 319 I HA -0.208 3.963 4.170 0.001 0.000 0.245 319 I C 2.354 178.427 176.117 -0.072 0.000 1.104 319 I CA 0.688 61.968 61.300 -0.033 0.000 1.397 319 I CB -0.041 37.944 38.000 -0.025 0.000 1.072 319 I HN -0.124 nan 8.210 nan 0.000 0.417 320 Q N 0.679 120.534 119.800 0.091 0.000 2.170 320 Q HA -0.139 4.202 4.340 0.001 0.000 0.203 320 Q C 2.416 178.494 176.000 0.129 0.000 0.976 320 Q CA 1.712 57.641 55.803 0.209 0.000 0.858 320 Q CB -0.440 28.416 28.738 0.196 0.000 0.907 320 Q HN 0.550 nan 8.270 nan 0.000 0.433 321 A N 0.138 122.990 122.820 0.055 0.000 1.969 321 A HA -0.099 4.221 4.320 0.001 0.000 0.218 321 A C 2.421 179.995 177.584 -0.017 0.000 1.169 321 A CA 1.254 53.306 52.037 0.025 0.000 0.635 321 A CB -0.472 18.534 19.000 0.009 0.000 0.810 321 A HN 0.205 nan 8.150 nan 0.000 0.445 322 V N -1.410 118.458 119.914 -0.077 0.000 2.307 322 V HA -0.281 3.839 4.120 0.001 0.000 0.245 322 V C 2.284 178.290 176.094 -0.146 0.000 1.045 322 V CA 1.817 64.008 62.300 -0.183 0.000 1.024 322 V CB -1.049 30.617 31.823 -0.261 0.000 0.651 322 V HN 0.720 nan 8.190 nan 0.000 0.449 323 Y N 0.236 120.560 120.300 0.039 0.000 2.256 323 Y HA -0.242 4.309 4.550 0.001 0.000 0.288 323 Y C 2.491 178.401 175.900 0.017 0.000 1.155 323 Y CA 0.816 58.962 58.100 0.076 0.000 1.203 323 Y CB -0.297 38.257 38.460 0.158 0.000 0.980 323 Y HN 0.271 nan 8.280 nan 0.000 0.530 324 A N -0.719 122.193 122.820 0.154 0.000 2.066 324 A HA -0.190 4.131 4.320 0.001 0.000 0.218 324 A C 1.932 179.525 177.584 0.015 0.000 1.157 324 A CA 1.491 53.573 52.037 0.076 0.000 0.670 324 A CB -0.305 18.730 19.000 0.059 0.000 0.804 324 A HN 0.403 nan 8.150 nan 0.000 0.453 325 Q N -1.192 118.589 119.800 -0.031 0.000 2.378 325 Q HA 0.230 4.570 4.340 0.001 0.000 0.216 325 Q C 0.672 176.600 176.000 -0.120 0.000 0.892 325 Q CA 0.329 56.086 55.803 -0.078 0.000 0.931 325 Q CB 0.285 28.959 28.738 -0.106 0.000 1.086 325 Q HN 0.471 nan 8.270 nan 0.000 0.528 326 R N 0.596 121.005 120.500 -0.152 0.000 2.691 326 R HA 0.450 4.791 4.340 0.001 0.000 0.259 326 R C -2.340 173.952 176.300 -0.014 0.000 1.048 326 R CA -2.214 53.764 56.100 -0.203 0.000 1.086 326 R CB 0.417 30.350 30.300 -0.612 0.000 1.166 326 R HN 0.059 nan 8.270 nan 0.000 0.526 327 P HA 0.060 nan 4.420 nan 0.000 0.274 327 P C -1.052 176.337 177.300 0.148 0.000 1.256 327 P CA -0.316 62.828 63.100 0.074 0.000 0.795 327 P CB 0.582 32.321 31.700 0.066 0.000 1.038 328 Q N 0.014 119.857 119.800 0.072 0.000 2.340 328 Q HA 0.349 4.690 4.340 0.001 0.000 0.249 328 Q C -0.188 175.840 176.000 0.046 0.000 0.957 328 Q CA -0.399 55.434 55.803 0.050 0.000 0.882 328 Q CB 0.492 29.212 28.738 -0.030 0.000 1.235 328 Q HN 0.381 nan 8.270 nan 0.000 0.439 329 L N 1.193 122.423 121.223 0.011 0.000 2.343 329 L HA 0.526 4.866 4.340 0.001 0.000 0.275 329 L C 0.069 176.934 176.870 -0.008 0.000 1.056 329 L CA -0.873 53.947 54.840 -0.033 0.000 0.804 329 L CB 1.311 43.305 42.059 -0.109 0.000 1.203 329 L HN 0.668 nan 8.230 nan 0.000 0.440 330 A N 3.762 126.584 122.820 0.004 0.000 2.445 330 A HA 0.485 4.806 4.320 0.001 0.000 0.242 330 A C -0.152 177.462 177.584 0.049 0.000 1.075 330 A CA -0.084 51.981 52.037 0.047 0.000 0.777 330 A CB 0.221 19.243 19.000 0.037 0.000 1.013 330 A HN 0.571 nan 8.150 nan 0.000 0.493 331 M N 2.369 122.028 119.600 0.098 0.000 2.508 331 M HA 0.272 4.752 4.480 0.001 0.000 0.327 331 M C 0.790 177.128 176.300 0.064 0.000 1.160 331 M CA -0.479 54.855 55.300 0.056 0.000 0.980 331 M CB 1.253 33.876 32.600 0.039 0.000 1.693 331 M HN 0.392 nan 8.290 nan 0.000 0.452 332 V N 1.190 121.105 119.914 0.002 0.000 2.685 332 V HA 0.057 4.178 4.120 0.001 0.000 0.244 332 V C 0.662 176.717 176.094 -0.065 0.000 1.054 332 V CA 1.070 63.366 62.300 -0.007 0.000 1.076 332 V CB -0.175 31.639 31.823 -0.015 0.000 0.725 332 V HN 0.889 nan 8.190 nan 0.000 0.467 333 N N -0.320 118.318 118.700 -0.104 0.000 2.621 333 N HA 0.067 4.808 4.740 0.001 0.000 0.271 333 N C 0.902 176.324 175.510 -0.146 0.000 1.181 333 N CA 0.703 53.666 53.050 -0.144 0.000 0.805 333 N CB 1.849 40.256 38.487 -0.134 0.000 1.351 333 N HN 0.191 nan 8.380 nan 0.000 0.539 334 S N 1.607 117.221 115.700 -0.144 0.000 2.399 334 S HA -0.119 4.351 4.470 0.001 0.000 0.231 334 S C 1.057 175.590 174.600 -0.112 0.000 1.022 334 S CA 1.024 59.160 58.200 -0.108 0.000 0.983 334 S CB 0.060 63.216 63.200 -0.073 0.000 0.803 334 S HN 0.448 nan 8.310 nan 0.000 0.480 335 D N 2.024 122.347 120.400 -0.128 0.000 2.144 335 D HA -0.032 4.609 4.640 0.001 0.000 0.199 335 D C 1.561 177.799 176.300 -0.103 0.000 0.984 335 D CA 1.129 55.065 54.000 -0.107 0.000 0.834 335 D CB -0.129 40.605 40.800 -0.110 0.000 0.955 335 D HN 0.567 nan 8.370 nan 0.000 0.465 336 K N -0.440 119.886 120.400 -0.122 0.000 2.387 336 K HA 0.231 4.552 4.320 0.001 0.000 0.198 336 K C 0.941 177.439 176.600 -0.170 0.000 1.022 336 K CA 0.278 56.487 56.287 -0.130 0.000 1.128 336 K CB 1.065 33.489 32.500 -0.127 0.000 0.853 336 K HN 0.059 nan 8.250 nan 0.000 0.523 337 G N 2.124 110.821 108.800 -0.171 0.000 2.179 337 G HA2 -0.221 3.739 3.960 0.001 0.000 0.257 337 G HA3 -0.221 3.739 3.960 0.001 0.000 0.257 337 G C 0.036 174.718 174.900 -0.364 0.000 1.010 337 G CA -0.235 44.744 45.100 -0.202 0.000 0.736 337 G HN 0.192 nan 8.290 nan 0.000 0.513 338 I N 2.515 122.850 120.570 -0.392 0.000 2.322 338 I HA 0.264 4.435 4.170 0.001 0.000 0.292 338 I C 1.452 177.364 176.117 -0.341 0.000 1.060 338 I CA 0.292 61.227 61.300 -0.607 0.000 1.309 338 I CB -0.250 37.550 38.000 -0.332 0.000 1.415 338 I HN 0.342 nan 8.210 nan 0.000 0.492 339 T N 1.799 116.198 114.554 -0.260 0.000 2.849 339 T HA 0.166 4.517 4.350 0.001 0.000 0.276 339 T C 1.098 175.891 174.700 0.154 0.000 0.971 339 T CA -0.551 61.592 62.100 0.072 0.000 0.949 339 T CB 1.077 70.088 68.868 0.239 0.000 1.093 339 T HN 0.602 nan 8.240 nan 0.000 0.545 340 N N -0.631 118.132 118.700 0.106 0.000 2.453 340 N HA 0.017 4.757 4.740 0.001 0.000 0.183 340 N C 1.326 176.987 175.510 0.251 0.000 1.041 340 N CA 0.349 53.466 53.050 0.112 0.000 0.900 340 N CB -0.273 38.221 38.487 0.011 0.000 0.961 340 N HN 0.564 nan 8.380 nan 0.000 0.443 341 L N -1.011 120.360 121.223 0.247 0.000 2.640 341 L HA 0.130 4.470 4.340 0.001 0.000 0.230 341 L C 1.108 178.233 176.870 0.425 0.000 1.123 341 L CA -0.117 54.890 54.840 0.279 0.000 0.900 341 L CB -0.071 42.017 42.059 0.048 0.000 1.146 341 L HN 0.204 nan 8.230 nan 0.000 0.484 342 H N -0.090 119.151 119.070 0.285 0.000 2.333 342 H HA 0.071 4.628 4.556 0.001 0.000 0.302 342 H C 0.228 175.685 175.328 0.215 0.000 1.075 342 H CA 0.952 57.142 56.048 0.236 0.000 1.348 342 H CB 0.384 30.236 29.762 0.152 0.000 1.393 342 H HN -0.056 nan 8.280 nan 0.000 0.509 343 V N 1.206 121.279 119.914 0.265 0.000 2.525 343 V HA 0.152 4.273 4.120 0.001 0.000 0.299 343 V C -1.766 174.200 176.094 -0.214 0.000 1.034 343 V CA -1.367 60.965 62.300 0.052 0.000 0.863 343 V CB 2.258 34.104 31.823 0.037 0.000 0.999 343 V HN 0.085 nan 8.190 nan 0.000 0.423 344 P HA -0.172 nan 4.420 nan 0.000 0.216 344 P C 1.583 178.544 177.300 -0.565 0.000 1.150 344 P CA 1.858 64.216 63.100 -1.236 0.000 0.843 344 P CB 0.212 31.359 31.700 -0.922 0.000 0.787 345 S N -2.404 113.118 115.700 -0.296 0.000 2.562 345 S HA -0.032 4.438 4.470 0.001 0.000 0.221 345 S C 1.484 176.026 174.600 -0.096 0.000 0.975 345 S CA 0.455 58.558 58.200 -0.162 0.000 0.918 345 S CB -0.860 62.272 63.200 -0.114 0.000 0.772 345 S HN 0.008 nan 8.310 nan 0.000 0.531 346 D N 2.131 122.480 120.400 -0.085 0.000 2.084 346 D HA -0.005 4.635 4.640 0.001 0.000 0.194 346 D C 0.361 176.651 176.300 -0.017 0.000 0.990 346 D CA 0.947 54.930 54.000 -0.029 0.000 0.826 346 D CB -0.276 40.526 40.800 0.003 0.000 0.971 346 D HN 0.299 nan 8.370 nan 0.000 0.453 347 V N 2.116 122.017 119.914 -0.022 0.000 2.348 347 V HA 0.254 4.375 4.120 0.001 0.000 0.270 347 V C 0.208 176.294 176.094 -0.013 0.000 1.037 347 V CA -0.364 61.923 62.300 -0.021 0.000 0.872 347 V CB 1.131 32.914 31.823 -0.067 0.000 1.002 347 V HN -0.009 nan 8.190 nan 0.000 0.464 348 I N 4.949 125.526 120.570 0.012 0.000 2.330 348 I HA 0.252 4.422 4.170 0.001 0.000 0.289 348 I C 1.202 177.346 176.117 0.045 0.000 1.001 348 I CA -0.337 60.981 61.300 0.030 0.000 1.193 348 I CB 1.710 39.727 38.000 0.029 0.000 1.345 348 I HN 0.414 nan 8.210 nan 0.000 0.461 349 V N 6.308 126.254 119.914 0.053 0.000 2.277 349 V HA -0.343 3.777 4.120 0.001 0.000 0.253 349 V C 2.235 178.239 176.094 -0.151 0.000 1.067 349 V CA 2.968 65.251 62.300 -0.027 0.000 1.047 349 V CB -0.375 31.419 31.823 -0.048 0.000 0.649 349 V HN 1.053 nan 8.190 nan 0.000 0.447 350 D N 0.195 120.555 120.400 -0.067 0.000 2.182 350 D HA -0.135 4.505 4.640 0.001 0.000 0.201 350 D C 1.811 178.119 176.300 0.014 0.000 0.986 350 D CA 1.967 55.966 54.000 -0.002 0.000 0.847 350 D CB -0.337 40.575 40.800 0.186 0.000 0.942 350 D HN 0.594 nan 8.370 nan 0.000 0.467 351 A N 0.622 123.452 122.820 0.017 0.000 1.973 351 A HA 0.077 4.397 4.320 0.001 0.000 0.210 351 A C 2.304 179.897 177.584 0.015 0.000 1.200 351 A CA 0.999 53.050 52.037 0.023 0.000 0.707 351 A CB -0.230 18.792 19.000 0.036 0.000 0.862 351 A HN 0.330 nan 8.150 nan 0.000 0.461 352 S N -0.395 115.321 115.700 0.027 0.000 2.383 352 S HA -0.123 4.347 4.470 0.001 0.000 0.227 352 S C 1.918 176.516 174.600 -0.004 0.000 1.026 352 S CA 1.520 59.766 58.200 0.076 0.000 0.981 352 S CB -0.411 62.902 63.200 0.188 0.000 0.818 352 S HN 0.280 nan 8.310 nan 0.000 0.472 353 M N 1.878 121.353 119.600 -0.208 0.000 2.156 353 M HA 0.132 4.613 4.480 0.001 0.000 0.264 353 M C -0.802 175.381 176.300 -0.195 0.000 1.067 353 M CA 0.626 55.648 55.300 -0.463 0.000 1.131 353 M CB -2.523 29.360 32.600 -1.194 0.000 1.368 353 M HN 0.212 nan 8.290 nan 0.000 0.416 354 P HA -0.024 nan 4.420 nan 0.000 0.217 354 P C 1.274 178.600 177.300 0.044 0.000 1.151 354 P CA 1.719 64.829 63.100 0.017 0.000 0.828 354 P CB -0.128 31.585 31.700 0.022 0.000 0.788 355 A N -0.324 122.513 122.820 0.029 0.000 1.933 355 A HA -0.193 4.128 4.320 0.001 0.000 0.218 355 A C 2.164 179.772 177.584 0.039 0.000 1.175 355 A CA 1.678 53.744 52.037 0.049 0.000 0.628 355 A CB -1.487 17.546 19.000 0.055 0.000 0.814 355 A HN 0.103 nan 8.150 nan 0.000 0.444 356 M N -0.109 119.502 119.600 0.018 0.000 2.156 356 M HA -0.052 4.429 4.480 0.001 0.000 0.264 356 M C 1.945 178.280 176.300 0.057 0.000 1.067 356 M CA 1.742 57.039 55.300 -0.004 0.000 1.131 356 M CB -0.676 31.910 32.600 -0.023 0.000 1.368 356 M HN 0.421 nan 8.290 nan 0.000 0.416 357 I N -0.116 120.540 120.570 0.143 0.000 2.226 357 I HA -0.310 3.860 4.170 0.001 0.000 0.245 357 I C 2.734 179.109 176.117 0.430 0.000 1.100 357 I CA 1.262 62.781 61.300 0.365 0.000 1.374 357 I CB -0.577 37.592 38.000 0.282 0.000 1.057 357 I HN 0.386 nan 8.210 nan 0.000 0.413 358 R N 0.814 121.470 120.500 0.260 0.000 2.075 358 R HA -0.180 4.161 4.340 0.001 0.000 0.232 358 R C 0.752 177.143 176.300 0.151 0.000 1.126 358 R CA 1.476 57.728 56.100 0.253 0.000 0.963 358 R CB -0.102 30.311 30.300 0.188 0.000 0.858 358 R HN 0.125 nan 8.270 nan 0.000 0.435 359 D N 0.692 121.113 120.400 0.034 0.000 2.845 359 D HA 0.085 4.726 4.640 0.001 0.000 0.235 359 D C -0.555 175.579 176.300 -0.276 0.000 1.158 359 D CA 0.203 54.142 54.000 -0.102 0.000 0.990 359 D CB -0.049 40.668 40.800 -0.139 0.000 1.094 359 D HN 0.198 nan 8.370 nan 0.000 0.486 360 S N 0.258 115.722 115.700 -0.394 0.000 3.445 360 S HA -0.217 4.253 4.470 0.001 0.000 0.319 360 S C 1.308 175.132 174.600 -1.293 0.000 1.209 360 S CA 0.794 58.411 58.200 -0.971 0.000 0.934 360 S CB -1.685 61.141 63.200 -0.624 0.000 0.999 360 S HN 0.833 nan 8.310 nan 0.000 0.582 361 G N 0.006 108.358 108.800 -0.746 0.000 2.176 361 G HA2 -0.320 3.641 3.960 0.001 0.000 0.252 361 G HA3 -0.320 3.641 3.960 0.001 0.000 0.252 361 G C -0.209 174.503 174.900 -0.313 0.000 1.024 361 G CA 0.924 45.766 45.100 -0.430 0.000 0.755 361 G HN 0.699 nan 8.290 nan 0.000 0.507 362 K N -1.055 119.152 120.400 -0.322 0.000 2.295 362 K HA 0.871 5.191 4.320 0.001 0.000 0.239 362 K C 0.258 176.694 176.600 -0.273 0.000 0.991 362 K CA -0.847 55.267 56.287 -0.288 0.000 0.845 362 K CB 1.563 33.835 32.500 -0.379 0.000 1.197 362 K HN 0.197 nan 8.250 nan 0.000 0.441 363 M N 0.223 119.676 119.600 -0.245 0.000 2.667 363 M HA 0.377 4.858 4.480 0.001 0.000 0.286 363 M C -1.450 174.700 176.300 -0.250 0.000 1.270 363 M CA -0.824 54.345 55.300 -0.220 0.000 0.826 363 M CB 1.839 34.426 32.600 -0.023 0.000 1.743 363 M HN 0.477 nan 8.290 nan 0.000 0.460 364 W N 0.476 121.778 121.300 0.004 0.000 2.238 364 W HA 0.533 5.193 4.660 0.001 0.000 0.321 364 W C 0.667 177.224 176.519 0.064 0.000 1.293 364 W CA -0.069 57.283 57.345 0.012 0.000 1.204 364 W CB 0.338 29.792 29.460 -0.011 0.000 1.167 364 W HN 0.613 nan 8.180 nan 0.000 0.553 365 G N 2.313 111.358 108.800 0.408 0.000 2.552 365 G HA2 0.366 4.326 3.960 0.001 0.000 0.318 365 G HA3 0.366 4.326 3.960 0.001 0.000 0.318 365 G C -2.124 172.889 174.900 0.188 0.000 1.240 365 G CA -1.292 43.984 45.100 0.293 0.000 1.002 365 G HN 0.211 nan 8.290 nan 0.000 0.493 366 P HA -0.042 nan 4.420 nan 0.000 0.221 366 P C 0.864 178.188 177.300 0.041 0.000 1.145 366 P CA 1.272 64.379 63.100 0.012 0.000 0.795 366 P CB 0.202 31.874 31.700 -0.047 0.000 0.775 367 D N -1.860 118.604 120.400 0.105 0.000 2.328 367 D HA 0.102 4.743 4.640 0.001 0.000 0.226 367 D C 1.281 177.661 176.300 0.134 0.000 1.066 367 D CA 0.215 54.282 54.000 0.112 0.000 0.861 367 D CB -1.174 39.713 40.800 0.145 0.000 0.912 367 D HN 0.131 nan 8.370 nan 0.000 0.521 368 G N 0.144 109.035 108.800 0.152 0.000 2.179 368 G HA2 -0.324 3.637 3.960 0.001 0.000 0.257 368 G HA3 -0.324 3.637 3.960 0.001 0.000 0.257 368 G C 0.060 175.165 174.900 0.342 0.000 1.010 368 G CA 0.510 45.691 45.100 0.135 0.000 0.736 368 G HN 0.514 nan 8.290 nan 0.000 0.513 369 K N -0.988 119.641 120.400 0.381 0.000 2.350 369 K HA 0.727 5.048 4.320 0.001 0.000 0.241 369 K C 0.405 176.877 176.600 -0.212 0.000 0.994 369 K CA -1.100 55.296 56.287 0.182 0.000 0.839 369 K CB 1.652 34.125 32.500 -0.046 0.000 1.244 369 K HN 0.083 nan 8.250 nan 0.000 0.443 370 L N 2.524 123.378 121.223 -0.616 0.000 2.371 370 L HA 0.301 4.641 4.340 0.001 0.000 0.272 370 L C -0.038 176.316 176.870 -0.860 0.000 1.124 370 L CA -0.117 54.245 54.840 -0.797 0.000 0.816 370 L CB 0.287 41.874 42.059 -0.787 0.000 1.129 370 L HN 0.480 nan 8.230 nan 0.000 0.448 371 H N 0.319 119.257 119.070 -0.220 0.000 3.037 371 H HA 0.252 4.809 4.556 0.001 0.000 0.355 371 H C -1.252 173.987 175.328 -0.149 0.000 1.263 371 H CA -0.936 55.027 56.048 -0.142 0.000 1.129 371 H CB 1.750 31.467 29.762 -0.075 0.000 1.861 371 H HN 0.483 nan 8.280 nan 0.000 0.546 372 D N 0.807 121.215 120.400 0.013 0.000 2.378 372 D HA 0.201 4.841 4.640 0.001 0.000 0.238 372 D C 0.399 176.700 176.300 0.001 0.000 1.180 372 D CA 0.734 54.715 54.000 -0.031 0.000 0.895 372 D CB 0.959 41.758 40.800 -0.002 0.000 1.192 372 D HN 0.382 nan 8.370 nan 0.000 0.438 373 T N -0.390 114.154 114.554 -0.017 0.000 2.923 373 T HA 0.293 4.644 4.350 0.001 0.000 0.311 373 T C -1.249 173.383 174.700 -0.114 0.000 1.183 373 T CA -0.926 61.158 62.100 -0.027 0.000 1.020 373 T CB 1.122 69.986 68.868 -0.006 0.000 1.165 373 T HN 0.288 nan 8.240 nan 0.000 0.482 374 K N 3.109 123.415 120.400 -0.157 0.000 2.263 374 K HA 0.671 4.991 4.320 0.001 0.000 0.282 374 K C -0.402 176.100 176.600 -0.164 0.000 1.089 374 K CA -0.600 55.451 56.287 -0.393 0.000 0.907 374 K CB 0.442 32.807 32.500 -0.225 0.000 1.148 374 K HN 0.629 nan 8.250 nan 0.000 0.470 375 A N 4.742 127.471 122.820 -0.152 0.000 2.316 375 A HA 0.271 4.592 4.320 0.001 0.000 0.311 375 A C -0.327 177.322 177.584 0.109 0.000 1.339 375 A CA -0.667 51.391 52.037 0.036 0.000 0.960 375 A CB 0.515 19.412 19.000 -0.172 0.000 1.152 375 A HN 0.531 nan 8.150 nan 0.000 0.547 376 V N 4.751 124.790 119.914 0.209 0.000 2.427 376 V HA 0.200 4.321 4.120 0.001 0.000 0.268 376 V C 0.109 176.387 176.094 0.307 0.000 1.046 376 V CA 0.482 62.937 62.300 0.257 0.000 0.970 376 V CB 0.226 32.174 31.823 0.207 0.000 1.001 376 V HN 0.693 nan 8.190 nan 0.000 0.476 377 I N 7.451 128.208 120.570 0.312 0.000 2.641 377 I HA 0.247 4.418 4.170 0.001 0.000 0.275 377 I C -1.763 174.499 176.117 0.243 0.000 1.129 377 I CA -1.595 59.873 61.300 0.280 0.000 1.094 377 I CB 1.915 40.075 38.000 0.266 0.000 1.232 377 I HN 0.425 nan 8.210 nan 0.000 0.503 378 P HA -0.209 nan 4.420 nan 0.000 0.216 378 P C 0.248 177.475 177.300 -0.123 0.000 1.167 378 P CA 1.439 64.506 63.100 -0.055 0.000 0.914 378 P CB 0.121 31.854 31.700 0.054 0.000 0.793 379 D N -1.881 118.537 120.400 0.031 0.000 2.350 379 D HA 0.076 4.716 4.640 0.001 0.000 0.249 379 D C 1.098 177.365 176.300 -0.054 0.000 1.119 379 D CA -0.158 53.857 54.000 0.026 0.000 0.886 379 D CB 0.527 41.449 40.800 0.202 0.000 1.195 379 D HN -0.161 nan 8.370 nan 0.000 0.437 380 R N 2.319 122.700 120.500 -0.200 0.000 2.280 380 R HA -0.028 4.313 4.340 0.001 0.000 0.207 380 R C 1.816 177.773 176.300 -0.572 0.000 1.043 380 R CA 0.152 55.943 56.100 -0.514 0.000 1.006 380 R CB -0.298 29.524 30.300 -0.797 0.000 0.885 380 R HN 0.570 nan 8.270 nan 0.000 0.467 381 C N -0.542 118.528 119.300 -0.384 0.000 2.385 381 C HA -0.168 4.293 4.460 0.001 0.000 0.275 381 C C 1.801 176.340 174.990 -0.752 0.000 1.207 381 C CA 1.016 59.676 59.018 -0.597 0.000 1.760 381 C CB -0.597 26.582 27.740 -0.934 0.000 2.051 381 C HN 0.530 nan 8.230 nan 0.000 0.467 382 Y N -1.098 119.257 120.300 0.091 0.000 2.471 382 Y HA 0.375 4.925 4.550 0.001 0.000 0.249 382 Y C 2.200 178.188 175.900 0.147 0.000 1.116 382 Y CA 0.390 58.578 58.100 0.147 0.000 1.240 382 Y CB -0.620 38.016 38.460 0.294 0.000 1.251 382 Y HN 0.115 nan 8.280 nan 0.000 0.527 383 A N 0.926 123.866 122.820 0.199 0.000 1.948 383 A HA -0.161 4.160 4.320 0.001 0.000 0.220 383 A C 2.444 180.145 177.584 0.196 0.000 1.177 383 A CA 2.055 54.239 52.037 0.245 0.000 0.636 383 A CB -1.318 17.783 19.000 0.169 0.000 0.815 383 A HN 0.498 nan 8.150 nan 0.000 0.449 384 G N -0.634 108.188 108.800 0.038 0.000 2.422 384 G HA2 -0.105 3.855 3.960 0.001 0.000 0.218 384 G HA3 -0.105 3.855 3.960 0.001 0.000 0.218 384 G C 1.486 176.446 174.900 0.101 0.000 1.146 384 G CA 1.183 46.312 45.100 0.048 0.000 0.769 384 G HN 0.335 nan 8.290 nan 0.000 0.547 385 V N -0.113 119.861 119.914 0.101 0.000 2.287 385 V HA -0.243 3.877 4.120 0.001 0.000 0.248 385 V C 2.389 178.524 176.094 0.069 0.000 1.053 385 V CA 1.757 64.112 62.300 0.092 0.000 1.027 385 V CB -0.796 31.087 31.823 0.099 0.000 0.646 385 V HN 0.518 nan 8.190 nan 0.000 0.447 386 Y N -0.311 120.077 120.300 0.146 0.000 2.242 386 Y HA -0.271 4.279 4.550 0.001 0.000 0.291 386 Y C 2.772 178.717 175.900 0.076 0.000 1.137 386 Y CA 1.517 59.665 58.100 0.080 0.000 1.181 386 Y CB -0.223 38.256 38.460 0.031 0.000 0.989 386 Y HN 0.233 nan 8.280 nan 0.000 0.527 387 Q N 0.534 120.485 119.800 0.252 0.000 2.084 387 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 387 Q C 2.162 178.236 176.000 0.122 0.000 0.978 387 Q CA 1.778 57.691 55.803 0.185 0.000 0.844 387 Q CB -0.642 28.214 28.738 0.197 0.000 0.898 387 Q HN 0.328 nan 8.270 nan 0.000 0.426 388 V N -0.471 119.510 119.914 0.112 0.000 2.287 388 V HA -0.255 3.865 4.120 0.001 0.000 0.248 388 V C 2.285 178.418 176.094 0.066 0.000 1.053 388 V CA 1.711 64.058 62.300 0.080 0.000 1.027 388 V CB -0.608 31.264 31.823 0.082 0.000 0.646 388 V HN 0.266 nan 8.190 nan 0.000 0.447 389 V N -0.286 119.687 119.914 0.099 0.000 2.343 389 V HA -0.262 3.858 4.120 0.001 0.000 0.247 389 V C 2.161 178.214 176.094 -0.070 0.000 1.051 389 V CA 2.133 64.489 62.300 0.093 0.000 1.036 389 V CB -0.538 31.378 31.823 0.154 0.000 0.654 389 V HN 0.443 nan 8.190 nan 0.000 0.451 390 I N -0.002 120.537 120.570 -0.051 0.000 2.179 390 I HA -0.237 3.933 4.170 0.001 0.000 0.242 390 I C 2.592 178.534 176.117 -0.293 0.000 1.088 390 I CA 1.690 62.875 61.300 -0.192 0.000 1.357 390 I CB -0.387 37.653 38.000 0.066 0.000 1.051 390 I HN 0.398 nan 8.210 nan 0.000 0.409 391 E N 0.377 120.506 120.200 -0.119 0.000 2.106 391 E HA -0.274 4.077 4.350 0.001 0.000 0.192 391 E C 1.611 178.092 176.600 -0.198 0.000 0.984 391 E CA 1.493 57.825 56.400 -0.113 0.000 0.806 391 E CB -0.169 29.510 29.700 -0.036 0.000 0.750 391 E HN 0.463 nan 8.360 nan 0.000 0.458 392 D N 0.173 120.464 120.400 -0.181 0.000 2.117 392 D HA -0.140 4.500 4.640 0.001 0.000 0.197 392 D C 1.724 177.809 176.300 -0.359 0.000 0.987 392 D CA 1.062 54.965 54.000 -0.161 0.000 0.829 392 D CB -0.009 40.777 40.800 -0.023 0.000 0.961 392 D HN 0.128 nan 8.370 nan 0.000 0.460 393 C N 0.283 119.193 119.300 -0.650 0.000 2.450 393 C HA 0.039 4.500 4.460 0.001 0.000 0.279 393 C C 2.384 176.976 174.990 -0.664 0.000 1.335 393 C CA 0.236 58.663 59.018 -0.984 0.000 1.749 393 C CB -0.682 25.862 27.740 -1.993 0.000 1.963 393 C HN 0.364 nan 8.230 nan 0.000 0.501 394 K N 0.541 120.638 120.400 -0.504 0.000 2.097 394 K HA -0.209 4.112 4.320 0.001 0.000 0.205 394 K C 2.190 178.700 176.600 -0.149 0.000 1.050 394 K CA 1.340 57.552 56.287 -0.124 0.000 0.938 394 K CB -0.244 32.234 32.500 -0.036 0.000 0.718 394 K HN 0.589 nan 8.250 nan 0.000 0.442 395 Q N -0.150 119.480 119.800 -0.283 0.000 2.163 395 Q HA -0.105 4.236 4.340 0.001 0.000 0.198 395 Q C 1.130 176.845 176.000 -0.476 0.000 0.954 395 Q CA 1.066 56.629 55.803 -0.401 0.000 0.851 395 Q CB 0.363 28.759 28.738 -0.571 0.000 0.928 395 Q HN 0.418 nan 8.270 nan 0.000 0.459 396 H N -0.987 117.990 119.070 -0.156 0.000 2.755 396 H HA 0.334 4.891 4.556 0.001 0.000 0.273 396 H C 0.708 175.939 175.328 -0.163 0.000 1.055 396 H CA 0.732 56.691 56.048 -0.148 0.000 1.191 396 H CB 1.081 30.744 29.762 -0.164 0.000 1.536 396 H HN 0.395 nan 8.280 nan 0.000 0.529 397 G N 0.967 109.708 108.800 -0.098 0.000 2.796 397 G HA2 -0.084 3.877 3.960 0.001 0.000 0.571 397 G HA3 -0.084 3.877 3.960 0.001 0.000 0.571 397 G C -0.043 174.750 174.900 -0.178 0.000 1.370 397 G CA -0.415 44.657 45.100 -0.047 0.000 0.856 397 G HN 0.547 nan 8.290 nan 0.000 0.538 398 A N -0.393 122.424 122.820 -0.005 0.000 2.466 398 A HA 0.588 4.908 4.320 0.001 0.000 0.238 398 A C 0.436 177.952 177.584 -0.113 0.000 1.074 398 A CA 0.386 52.420 52.037 -0.005 0.000 0.774 398 A CB -0.017 19.098 19.000 0.192 0.000 1.015 398 A HN 1.256 nan 8.150 nan 0.000 0.498 399 F N 0.404 120.390 119.950 0.061 0.000 2.506 399 F HA 0.160 4.688 4.527 0.001 0.000 0.351 399 F C 1.015 176.832 175.800 0.028 0.000 1.136 399 F CA 0.507 58.535 58.000 0.046 0.000 1.298 399 F CB 0.664 39.707 39.000 0.072 0.000 1.145 399 F HN 0.534 nan 8.300 nan 0.000 0.593 400 D N 4.141 124.668 120.400 0.211 0.000 2.443 400 D HA 0.244 4.885 4.640 0.001 0.000 0.221 400 D C -1.967 174.381 176.300 0.080 0.000 1.097 400 D CA -2.272 51.784 54.000 0.093 0.000 0.865 400 D CB 1.500 42.333 40.800 0.054 0.000 1.034 400 D HN 0.121 nan 8.370 nan 0.000 0.511 401 P HA -0.104 nan 4.420 nan 0.000 0.222 401 P C 1.318 178.633 177.300 0.026 0.000 1.147 401 P CA 1.145 64.270 63.100 0.043 0.000 0.790 401 P CB 0.196 31.859 31.700 -0.062 0.000 0.780 402 T N -4.833 109.718 114.554 -0.006 0.000 3.023 402 T HA -0.060 4.290 4.350 0.001 0.000 0.266 402 T C 1.498 176.193 174.700 -0.009 0.000 1.093 402 T CA 1.784 63.872 62.100 -0.020 0.000 1.129 402 T CB -1.075 67.771 68.868 -0.038 0.000 0.899 402 T HN 0.208 nan 8.240 nan 0.000 0.491 403 T N -0.898 113.661 114.554 0.008 0.000 2.969 403 T HA 0.381 4.732 4.350 0.001 0.000 0.258 403 T C 0.798 175.507 174.700 0.015 0.000 0.962 403 T CA -0.388 61.715 62.100 0.005 0.000 0.903 403 T CB -0.416 68.452 68.868 0.001 0.000 1.177 403 T HN 0.604 nan 8.240 nan 0.000 0.511 404 M N 1.797 121.421 119.600 0.040 0.000 2.250 404 M HA 0.564 5.045 4.480 0.001 0.000 0.325 404 M C 0.867 177.172 176.300 0.008 0.000 1.084 404 M CA -0.050 55.277 55.300 0.045 0.000 1.161 404 M CB 0.172 32.827 32.600 0.091 0.000 1.481 404 M HN 0.103 nan 8.290 nan 0.000 0.449 405 G N 1.141 109.930 108.800 -0.018 0.000 2.485 405 G HA2 0.421 4.382 3.960 0.001 0.000 0.260 405 G HA3 0.421 4.382 3.960 0.001 0.000 0.260 405 G C -1.057 173.802 174.900 -0.069 0.000 1.459 405 G CA -0.615 44.455 45.100 -0.050 0.000 1.060 405 G HN 0.838 nan 8.290 nan 0.000 0.546 406 S N -2.443 113.191 115.700 -0.109 0.000 2.549 406 S HA 0.534 5.004 4.470 0.001 0.000 0.280 406 S C -1.255 173.195 174.600 -0.251 0.000 1.109 406 S CA -0.563 57.553 58.200 -0.141 0.000 0.905 406 S CB 1.906 65.055 63.200 -0.084 0.000 1.081 406 S HN 0.538 nan 8.310 nan 0.000 0.477 407 V N 5.904 125.582 119.914 -0.393 0.000 2.340 407 V HA 0.421 4.541 4.120 0.001 0.000 0.277 407 V C -2.358 173.532 176.094 -0.341 0.000 1.017 407 V CA -1.492 60.483 62.300 -0.542 0.000 0.820 407 V CB 1.061 32.105 31.823 -1.298 0.000 1.028 407 V HN 0.692 nan 8.190 nan 0.000 0.436 408 P HA 0.293 nan 4.420 nan 0.000 0.277 408 P C -0.708 176.510 177.300 -0.136 0.000 1.271 408 P CA -0.511 62.514 63.100 -0.124 0.000 0.795 408 P CB 0.762 32.403 31.700 -0.099 0.000 1.101 409 N N -0.594 118.042 118.700 -0.107 0.000 2.235 409 N HA 0.329 5.069 4.740 0.001 0.000 0.293 409 N C -2.026 173.427 175.510 -0.097 0.000 1.083 409 N CA -0.453 52.521 53.050 -0.126 0.000 0.801 409 N CB 1.766 40.179 38.487 -0.124 0.000 1.559 409 N HN -0.024 nan 8.380 nan 0.000 0.472 410 V N 1.897 121.754 119.914 -0.095 0.000 2.326 410 V HA 0.571 4.692 4.120 0.001 0.000 0.281 410 V C 0.512 176.689 176.094 0.138 0.000 1.015 410 V CA -0.590 61.691 62.300 -0.031 0.000 0.823 410 V CB 1.007 32.741 31.823 -0.149 0.000 1.009 410 V HN 0.736 nan 8.190 nan 0.000 0.436 411 G N 3.720 112.584 108.800 0.106 0.000 2.416 411 G HA2 0.607 4.567 3.960 0.001 0.000 0.329 411 G HA3 0.607 4.567 3.960 0.001 0.000 0.329 411 G C -1.185 173.648 174.900 -0.112 0.000 1.173 411 G CA -0.756 44.367 45.100 0.038 0.000 0.929 411 G HN 0.587 nan 8.290 nan 0.000 0.475 412 L N 2.853 123.759 121.223 -0.529 0.000 2.315 412 L HA 0.586 4.926 4.340 0.001 0.000 0.283 412 L C 0.971 177.573 176.870 -0.447 0.000 1.089 412 L CA 0.093 54.482 54.840 -0.752 0.000 0.833 412 L CB 0.599 41.849 42.059 -1.349 0.000 1.170 412 L HN 0.722 nan 8.230 nan 0.000 0.442 413 M N 3.556 122.965 119.600 -0.318 0.000 2.054 413 M HA 0.507 4.988 4.480 0.001 0.000 0.386 413 M C 0.496 176.672 176.300 -0.208 0.000 0.824 413 M CA -0.217 54.898 55.300 -0.309 0.000 1.140 413 M CB 0.091 32.468 32.600 -0.372 0.000 2.218 413 M HN 0.433 nan 8.290 nan 0.000 0.752 414 A N 2.507 125.235 122.820 -0.153 0.000 2.567 414 A HA 0.167 4.487 4.320 0.001 0.000 0.240 414 A C 0.522 178.056 177.584 -0.083 0.000 1.053 414 A CA 0.852 52.830 52.037 -0.099 0.000 0.755 414 A CB -0.238 18.724 19.000 -0.064 0.000 0.978 414 A HN 0.669 nan 8.150 nan 0.000 0.507 415 Q N 0.616 120.379 119.800 -0.062 0.000 2.464 415 Q HA -0.175 4.166 4.340 0.001 0.000 0.304 415 Q C -0.275 175.701 176.000 -0.041 0.000 1.401 415 Q CA 0.874 56.652 55.803 -0.041 0.000 0.806 415 Q CB -1.463 27.256 28.738 -0.030 0.000 1.134 415 Q HN 0.965 nan 8.270 nan 0.000 0.411 416 K N -2.799 117.577 120.400 -0.040 0.000 3.278 416 K HA -0.197 4.124 4.320 0.001 0.000 0.270 416 K C 0.100 176.680 176.600 -0.034 0.000 0.955 416 K CA 0.632 56.913 56.287 -0.009 0.000 0.723 416 K CB -1.662 30.846 32.500 0.014 0.000 1.382 416 K HN 0.582 nan 8.250 nan 0.000 0.461 417 A N 1.726 124.496 122.820 -0.083 0.000 2.498 417 A HA 0.223 4.544 4.320 0.001 0.000 0.239 417 A C 0.906 178.438 177.584 -0.087 0.000 1.068 417 A CA 0.639 52.615 52.037 -0.101 0.000 0.766 417 A CB 0.116 19.017 19.000 -0.166 0.000 1.003 417 A HN 0.526 nan 8.150 nan 0.000 0.497 418 E N 0.486 120.624 120.200 -0.104 0.000 3.303 418 E HA -0.324 4.027 4.350 0.001 0.000 0.309 418 E C 0.868 177.371 176.600 -0.161 0.000 1.470 418 E CA 1.453 57.753 56.400 -0.168 0.000 1.869 418 E CB -0.999 28.592 29.700 -0.182 0.000 1.914 418 E HN 0.813 nan 8.360 nan 0.000 0.498 419 E N -0.221 119.885 120.200 -0.157 0.000 2.187 419 E HA -0.201 4.149 4.350 0.001 0.000 0.199 419 E C 1.759 178.184 176.600 -0.291 0.000 1.004 419 E CA 1.860 58.124 56.400 -0.228 0.000 0.813 419 E CB -0.267 29.316 29.700 -0.194 0.000 0.736 419 E HN 0.337 nan 8.360 nan 0.000 0.468 420 Y N -0.666 119.494 120.300 -0.234 0.000 2.483 420 Y HA -0.026 4.524 4.550 0.001 0.000 0.291 420 Y C 2.117 177.868 175.900 -0.248 0.000 1.143 420 Y CA 1.239 59.242 58.100 -0.162 0.000 1.289 420 Y CB -0.084 38.321 38.460 -0.091 0.000 0.983 420 Y HN 0.078 nan 8.280 nan 0.000 0.556 421 G N -1.998 106.691 108.800 -0.184 0.000 3.651 421 G HA2 0.067 4.027 3.960 0.001 0.000 0.279 421 G HA3 0.067 4.027 3.960 0.001 0.000 0.279 421 G C 1.106 175.820 174.900 -0.310 0.000 1.024 421 G CA 0.421 45.407 45.100 -0.190 0.000 0.813 421 G HN 0.327 nan 8.290 nan 0.000 0.518 422 S N -0.347 115.032 115.700 -0.536 0.000 2.528 422 S HA -0.014 4.457 4.470 0.001 0.000 0.219 422 S C 1.853 176.213 174.600 -0.399 0.000 0.985 422 S CA 0.121 58.058 58.200 -0.438 0.000 0.914 422 S CB -0.425 62.513 63.200 -0.435 0.000 0.776 422 S HN 0.412 nan 8.310 nan 0.000 0.526 423 H N 3.326 122.312 119.070 -0.139 0.000 2.289 423 H HA -0.103 4.454 4.556 0.001 0.000 0.296 423 H C 1.621 176.846 175.328 -0.172 0.000 1.091 423 H CA 1.849 57.811 56.048 -0.143 0.000 1.274 423 H CB -0.892 28.807 29.762 -0.105 0.000 1.364 423 H HN 0.713 nan 8.280 nan 0.000 0.490 424 D N 0.742 121.126 120.400 -0.027 0.000 2.352 424 D HA -0.040 4.600 4.640 0.001 0.000 0.232 424 D C 0.732 176.957 176.300 -0.125 0.000 1.055 424 D CA 0.377 54.344 54.000 -0.055 0.000 0.891 424 D CB -0.233 40.584 40.800 0.028 0.000 0.897 424 D HN 0.288 nan 8.370 nan 0.000 0.529 425 K N -0.679 119.600 120.400 -0.202 0.000 2.592 425 K HA 0.175 4.496 4.320 0.001 0.000 0.203 425 K C -0.533 175.904 176.600 -0.272 0.000 1.070 425 K CA -0.195 56.036 56.287 -0.094 0.000 1.062 425 K CB 1.269 33.808 32.500 0.066 0.000 0.814 425 K HN -0.063 nan 8.250 nan 0.000 0.502 426 T N 0.984 115.164 114.554 -0.622 0.000 2.779 426 T HA 0.534 4.885 4.350 0.001 0.000 0.280 426 T C -0.846 173.476 174.700 -0.631 0.000 0.987 426 T CA -0.323 61.557 62.100 -0.368 0.000 0.966 426 T CB 0.558 69.320 68.868 -0.177 0.000 0.933 426 T HN -0.064 nan 8.240 nan 0.000 0.442 427 F N 1.282 121.409 119.950 0.296 0.000 2.569 427 F HA 0.445 4.972 4.527 0.001 0.000 0.312 427 F C 0.207 176.128 175.800 0.203 0.000 1.109 427 F CA -1.220 56.907 58.000 0.212 0.000 0.919 427 F CB 2.090 41.188 39.000 0.164 0.000 1.211 427 F HN 0.359 nan 8.300 nan 0.000 0.446 428 Q N 3.389 123.374 119.800 0.309 0.000 2.294 428 Q HA 0.355 4.696 4.340 0.001 0.000 0.257 428 Q C -0.512 175.604 176.000 0.194 0.000 0.955 428 Q CA -0.640 55.295 55.803 0.221 0.000 0.936 428 Q CB 0.647 29.477 28.738 0.154 0.000 1.188 428 Q HN 0.462 nan 8.270 nan 0.000 0.420 429 I N 7.567 128.239 120.570 0.170 0.000 2.662 429 I HA -0.035 4.135 4.170 0.001 0.000 0.285 429 I C -1.692 174.462 176.117 0.061 0.000 1.161 429 I CA -1.627 59.732 61.300 0.099 0.000 1.415 429 I CB 0.498 38.549 38.000 0.086 0.000 1.385 429 I HN 0.673 nan 8.210 nan 0.000 0.552 430 P HA 0.003 nan 4.420 nan 0.000 0.217 430 P C 0.027 177.334 177.300 0.010 0.000 1.151 430 P CA 1.003 64.113 63.100 0.018 0.000 0.828 430 P CB 0.504 32.201 31.700 -0.004 0.000 0.788 431 A N -1.593 121.226 122.820 -0.000 0.000 2.610 431 A HA 0.442 4.763 4.320 0.001 0.000 0.291 431 A C -1.419 176.163 177.584 -0.003 0.000 1.086 431 A CA -0.692 51.344 52.037 -0.001 0.000 0.677 431 A CB 0.445 19.439 19.000 -0.010 0.000 1.278 431 A HN -0.217 nan 8.150 nan 0.000 0.414 432 D N 0.073 120.474 120.400 0.002 0.000 2.423 432 D HA 0.480 5.121 4.640 0.001 0.000 0.238 432 D C 0.770 177.064 176.300 -0.009 0.000 1.142 432 D CA 1.931 55.933 54.000 0.003 0.000 0.884 432 D CB 1.134 41.938 40.800 0.007 0.000 1.199 432 D HN 1.195 nan 8.370 nan 0.000 0.438 433 G N -0.812 107.982 108.800 -0.009 0.000 2.513 433 G HA2 0.388 4.349 3.960 0.001 0.000 0.182 433 G HA3 0.388 4.349 3.960 0.001 0.000 0.182 433 G C -1.422 173.466 174.900 -0.021 0.000 1.190 433 G CA -0.104 44.983 45.100 -0.022 0.000 0.987 433 G HN 0.816 nan 8.290 nan 0.000 0.479 434 V N -2.228 117.661 119.914 -0.043 0.000 2.808 434 V HA 0.832 4.953 4.120 0.001 0.000 0.308 434 V C -0.524 175.507 176.094 -0.104 0.000 1.099 434 V CA -1.002 61.274 62.300 -0.041 0.000 0.920 434 V CB 1.389 33.201 31.823 -0.018 0.000 1.014 434 V HN 1.018 nan 8.190 nan 0.000 0.425 435 V N 4.929 124.756 119.914 -0.146 0.000 2.439 435 V HA 0.615 4.736 4.120 0.001 0.000 0.282 435 V C 0.301 176.300 176.094 -0.159 0.000 1.039 435 V CA -0.366 61.745 62.300 -0.315 0.000 0.913 435 V CB 1.420 32.769 31.823 -0.790 0.000 0.983 435 V HN 0.977 nan 8.190 nan 0.000 0.460 436 R N 3.144 123.551 120.500 -0.156 0.000 2.599 436 R HA 0.737 5.078 4.340 0.001 0.000 0.295 436 R C -1.540 174.740 176.300 -0.033 0.000 0.963 436 R CA -0.711 55.360 56.100 -0.049 0.000 0.883 436 R CB 2.438 32.714 30.300 -0.041 0.000 1.171 436 R HN 0.499 nan 8.270 nan 0.000 0.450 437 V N 2.548 122.493 119.914 0.053 0.000 2.378 437 V HA 0.398 4.518 4.120 0.001 0.000 0.288 437 V C -0.049 176.079 176.094 0.057 0.000 1.016 437 V CA -0.620 61.729 62.300 0.082 0.000 0.840 437 V CB 1.476 33.406 31.823 0.179 0.000 0.994 437 V HN 0.955 nan 8.190 nan 0.000 0.431 438 T N 0.258 114.833 114.554 0.035 0.000 2.893 438 T HA 0.688 5.039 4.350 0.001 0.000 0.291 438 T C -0.679 174.038 174.700 0.028 0.000 1.028 438 T CA -0.898 61.218 62.100 0.026 0.000 0.995 438 T CB 2.163 71.037 68.868 0.010 0.000 1.051 438 T HN 0.648 nan 8.240 nan 0.000 0.470 439 D N 0.629 121.045 120.400 0.026 0.000 2.451 439 D HA 0.238 4.878 4.640 0.001 0.000 0.259 439 D C 1.064 177.375 176.300 0.018 0.000 1.201 439 D CA -0.819 53.196 54.000 0.025 0.000 1.028 439 D CB 0.423 41.238 40.800 0.026 0.000 1.095 439 D HN 0.658 nan 8.370 nan 0.000 0.539 440 E N -0.822 119.388 120.200 0.017 0.000 2.171 440 E HA -0.201 4.149 4.350 0.001 0.000 0.197 440 E C 1.673 178.279 176.600 0.010 0.000 0.997 440 E CA 1.669 58.077 56.400 0.013 0.000 0.810 440 E CB -0.140 29.568 29.700 0.013 0.000 0.738 440 E HN 0.570 nan 8.360 nan 0.000 0.467 441 S N -0.915 114.792 115.700 0.011 0.000 2.607 441 S HA 0.105 4.576 4.470 0.001 0.000 0.224 441 S C 1.562 176.166 174.600 0.007 0.000 0.969 441 S CA 0.482 58.687 58.200 0.008 0.000 0.927 441 S CB 0.422 63.627 63.200 0.009 0.000 0.772 441 S HN 0.390 nan 8.310 nan 0.000 0.533 442 G N 1.069 109.873 108.800 0.008 0.000 2.157 442 G HA2 -0.284 3.677 3.960 0.001 0.000 0.248 442 G HA3 -0.284 3.677 3.960 0.001 0.000 0.248 442 G C -0.078 174.827 174.900 0.008 0.000 0.979 442 G CA 0.199 45.302 45.100 0.006 0.000 0.650 442 G HN 0.759 nan 8.290 nan 0.000 0.529 443 K N 0.352 120.759 120.400 0.012 0.000 2.350 443 K HA 0.493 4.813 4.320 0.001 0.000 0.279 443 K C 0.284 176.895 176.600 0.018 0.000 1.027 443 K CA -0.838 55.457 56.287 0.014 0.000 0.969 443 K CB 0.393 32.903 32.500 0.015 0.000 0.954 443 K HN 0.186 nan 8.250 nan 0.000 0.474 444 L N 6.717 127.952 121.223 0.018 0.000 2.325 444 L HA 0.117 4.457 4.340 0.001 0.000 0.284 444 L C 0.306 177.196 176.870 0.033 0.000 1.089 444 L CA 0.446 55.301 54.840 0.025 0.000 0.836 444 L CB 0.437 42.509 42.059 0.021 0.000 1.184 444 L HN 0.823 nan 8.230 nan 0.000 0.444 445 L N 4.744 125.994 121.223 0.045 0.000 2.269 445 L HA 0.220 4.561 4.340 0.001 0.000 0.200 445 L C 0.034 176.944 176.870 0.066 0.000 1.069 445 L CA 0.335 55.206 54.840 0.052 0.000 0.804 445 L CB -0.084 42.009 42.059 0.057 0.000 0.987 445 L HN 0.417 nan 8.230 nan 0.000 0.468 446 L N -0.168 121.109 121.223 0.091 0.000 2.431 446 L HA 0.480 4.820 4.340 0.001 0.000 0.266 446 L C -0.889 176.060 176.870 0.131 0.000 0.978 446 L CA -0.324 54.588 54.840 0.121 0.000 0.822 446 L CB 2.753 44.916 42.059 0.173 0.000 1.310 446 L HN -0.046 nan 8.230 nan 0.000 0.409 447 E N 2.516 122.791 120.200 0.124 0.000 2.275 447 E HA 0.482 4.832 4.350 0.001 0.000 0.270 447 E C -1.672 175.012 176.600 0.140 0.000 0.882 447 E CA -0.628 55.837 56.400 0.108 0.000 0.758 447 E CB 2.446 32.183 29.700 0.062 0.000 1.195 447 E HN 0.464 nan 8.360 nan 0.000 0.419 448 Q N 2.347 122.246 119.800 0.164 0.000 2.263 448 Q HA 0.283 4.624 4.340 0.001 0.000 0.266 448 Q C -1.500 174.578 176.000 0.130 0.000 1.002 448 Q CA -0.645 55.275 55.803 0.195 0.000 0.790 448 Q CB 1.829 30.801 28.738 0.391 0.000 1.272 448 Q HN 0.512 nan 8.270 nan 0.000 0.435 449 S N 2.085 117.844 115.700 0.097 0.000 2.564 449 S HA 0.692 5.163 4.470 0.001 0.000 0.278 449 S C 0.252 174.904 174.600 0.087 0.000 1.333 449 S CA 0.021 58.260 58.200 0.065 0.000 1.048 449 S CB 0.684 63.914 63.200 0.050 0.000 0.900 449 S HN 0.964 nan 8.310 nan 0.000 0.505 450 V N -0.370 119.581 119.914 0.062 0.000 3.159 450 V HA 0.756 4.876 4.120 0.001 0.000 0.308 450 V C -0.958 175.165 176.094 0.048 0.000 1.190 450 V CA -1.086 61.260 62.300 0.076 0.000 1.037 450 V CB 1.588 33.464 31.823 0.087 0.000 1.060 450 V HN 0.979 nan 8.190 nan 0.000 0.437 451 E N 0.933 121.166 120.200 0.055 0.000 2.277 451 E HA 0.735 5.086 4.350 0.001 0.000 0.266 451 E C -0.378 176.249 176.600 0.046 0.000 0.901 451 E CA -0.968 55.457 56.400 0.041 0.000 0.782 451 E CB 2.299 32.023 29.700 0.039 0.000 1.228 451 E HN 1.224 nan 8.360 nan 0.000 0.424 452 A N 0.815 123.657 122.820 0.036 0.000 2.546 452 A HA 0.382 4.703 4.320 0.001 0.000 0.243 452 A C 1.190 178.804 177.584 0.050 0.000 1.063 452 A CA 1.135 53.195 52.037 0.039 0.000 0.757 452 A CB -0.652 18.365 19.000 0.029 0.000 0.991 452 A HN 0.878 nan 8.150 nan 0.000 0.503 453 G N 2.100 110.938 108.800 0.062 0.000 2.234 453 G HA2 -0.198 3.763 3.960 0.001 0.000 0.235 453 G HA3 -0.198 3.763 3.960 0.001 0.000 0.235 453 G C 0.040 174.989 174.900 0.083 0.000 0.997 453 G CA 0.321 45.461 45.100 0.068 0.000 0.623 453 G HN 0.829 nan 8.290 nan 0.000 0.514 454 D N 0.375 120.830 120.400 0.091 0.000 2.368 454 D HA 0.463 5.103 4.640 0.001 0.000 0.240 454 D C 0.892 177.289 176.300 0.163 0.000 1.169 454 D CA 0.245 54.308 54.000 0.105 0.000 0.906 454 D CB 0.664 41.534 40.800 0.117 0.000 1.187 454 D HN 0.343 nan 8.370 nan 0.000 0.435 455 I N 1.480 122.150 120.570 0.167 0.000 2.330 455 I HA 0.243 4.413 4.170 0.001 0.000 0.286 455 I C -0.625 175.736 176.117 0.405 0.000 1.025 455 I CA -0.804 60.657 61.300 0.268 0.000 1.197 455 I CB 0.874 39.030 38.000 0.259 0.000 1.358 455 I HN 0.254 nan 8.210 nan 0.000 0.467 456 W N 8.786 130.232 121.300 0.243 0.000 2.520 456 W HA 0.624 5.284 4.660 0.001 0.000 0.323 456 W C -0.353 176.302 176.519 0.227 0.000 1.062 456 W CA -0.535 56.962 57.345 0.253 0.000 1.215 456 W CB 1.018 30.605 29.460 0.212 0.000 1.340 456 W HN 0.456 nan 8.180 nan 0.000 0.516 457 R N 5.536 125.753 120.500 -0.471 0.000 2.774 457 R HA 0.781 5.121 4.340 0.001 0.000 0.272 457 R C -1.850 173.789 176.300 -1.103 0.000 1.000 457 R CA -1.180 54.576 56.100 -0.573 0.000 0.906 457 R CB 2.154 32.205 30.300 -0.414 0.000 1.227 457 R HN 0.697 nan 8.270 nan 0.000 0.468 458 M N 1.908 121.106 119.600 -0.669 0.000 2.393 458 M HA 0.540 5.020 4.480 0.001 0.000 0.299 458 M C -1.715 174.418 176.300 -0.279 0.000 1.103 458 M CA -0.401 54.618 55.300 -0.469 0.000 0.910 458 M CB 2.157 34.659 32.600 -0.163 0.000 1.659 458 M HN 0.854 nan 8.290 nan 0.000 0.445 459 C N 2.489 121.643 119.300 -0.243 0.000 2.562 459 C HA 0.695 5.155 4.460 0.001 0.000 0.332 459 C C -0.793 174.130 174.990 -0.111 0.000 1.201 459 C CA -0.545 58.346 59.018 -0.211 0.000 1.803 459 C CB 2.233 29.793 27.740 -0.299 0.000 2.328 459 C HN 0.825 nan 8.230 nan 0.000 0.500 460 Q N 0.652 120.401 119.800 -0.085 0.000 2.372 460 Q HA 0.731 5.071 4.340 0.001 0.000 0.273 460 Q C -1.095 174.900 176.000 -0.008 0.000 1.078 460 Q CA -0.401 55.389 55.803 -0.022 0.000 0.806 460 Q CB 2.312 31.041 28.738 -0.015 0.000 1.332 460 Q HN 0.866 nan 8.270 nan 0.000 0.435 461 A N 2.332 125.175 122.820 0.038 0.000 2.476 461 A HA 0.470 4.791 4.320 0.001 0.000 0.280 461 A C -1.188 176.415 177.584 0.032 0.000 1.081 461 A CA -0.758 51.303 52.037 0.038 0.000 0.753 461 A CB 0.831 19.909 19.000 0.129 0.000 1.248 461 A HN 0.599 nan 8.150 nan 0.000 0.424 462 K N 1.079 121.487 120.400 0.013 0.000 2.154 462 K HA 0.224 4.544 4.320 0.001 0.000 0.264 462 K C 0.437 177.063 176.600 0.042 0.000 1.008 462 K CA -0.215 56.086 56.287 0.025 0.000 0.937 462 K CB 1.306 33.813 32.500 0.012 0.000 1.002 462 K HN 0.761 nan 8.250 nan 0.000 0.469 463 D N 1.427 121.862 120.400 0.058 0.000 2.117 463 D HA -0.149 4.491 4.640 0.001 0.000 0.198 463 D C 1.679 178.004 176.300 0.041 0.000 0.982 463 D CA 1.609 55.662 54.000 0.088 0.000 0.828 463 D CB 0.180 41.045 40.800 0.109 0.000 0.967 463 D HN 0.606 nan 8.370 nan 0.000 0.464 464 A N 0.683 123.511 122.820 0.013 0.000 1.883 464 A HA -0.084 4.237 4.320 0.001 0.000 0.217 464 A C -0.086 177.501 177.584 0.005 0.000 1.186 464 A CA 1.462 53.491 52.037 -0.013 0.000 0.624 464 A CB -1.643 17.352 19.000 -0.008 0.000 0.822 464 A HN 0.283 nan 8.150 nan 0.000 0.444 465 P HA -0.133 nan 4.420 nan 0.000 0.215 465 P C 1.370 178.729 177.300 0.098 0.000 1.153 465 P CA 0.978 64.093 63.100 0.024 0.000 0.853 465 P CB -0.110 31.578 31.700 -0.020 0.000 0.788 466 I N -0.927 119.718 120.570 0.124 0.000 2.226 466 I HA -0.270 3.900 4.170 0.001 0.000 0.245 466 I C 2.465 178.768 176.117 0.310 0.000 1.100 466 I CA 1.513 62.994 61.300 0.301 0.000 1.374 466 I CB -0.640 37.539 38.000 0.298 0.000 1.057 466 I HN 0.018 nan 8.210 nan 0.000 0.413 467 Q N 0.120 119.945 119.800 0.041 0.000 2.124 467 Q HA -0.257 4.083 4.340 0.001 0.000 0.202 467 Q C 1.942 177.960 176.000 0.031 0.000 0.977 467 Q CA 1.694 57.401 55.803 -0.160 0.000 0.850 467 Q CB -0.236 28.244 28.738 -0.428 0.000 0.901 467 Q HN 0.529 nan 8.270 nan 0.000 0.429 468 D N -0.144 120.299 120.400 0.070 0.000 2.144 468 D HA -0.174 4.466 4.640 0.001 0.000 0.200 468 D C 1.633 178.024 176.300 0.152 0.000 0.978 468 D CA 0.839 54.893 54.000 0.090 0.000 0.833 468 D CB -0.072 40.768 40.800 0.067 0.000 0.961 468 D HN 0.301 nan 8.370 nan 0.000 0.470 469 W N 1.493 122.794 121.300 0.000 0.000 2.363 469 W HA -0.160 4.501 4.660 0.001 0.000 0.296 469 W C 2.060 178.604 176.519 0.043 0.000 1.212 469 W CA 1.064 58.416 57.345 0.010 0.000 1.260 469 W CB -0.581 28.900 29.460 0.036 0.000 1.131 469 W HN -0.184 nan 8.180 nan 0.000 0.530 470 V N 1.372 121.308 119.914 0.036 0.000 2.307 470 V HA -0.306 3.815 4.120 0.001 0.000 0.245 470 V C 2.506 178.460 176.094 -0.234 0.000 1.045 470 V CA 2.376 64.612 62.300 -0.106 0.000 1.024 470 V CB -1.077 30.794 31.823 0.081 0.000 0.651 470 V HN 0.198 nan 8.190 nan 0.000 0.449 471 K N -0.135 120.174 120.400 -0.152 0.000 2.063 471 K HA -0.241 4.079 4.320 0.001 0.000 0.208 471 K C 2.160 178.633 176.600 -0.211 0.000 1.048 471 K CA 1.847 57.992 56.287 -0.237 0.000 0.928 471 K CB -0.275 32.267 32.500 0.071 0.000 0.713 471 K HN 0.330 nan 8.250 nan 0.000 0.442 472 L N 0.910 122.059 121.223 -0.122 0.000 2.083 472 L HA -0.063 4.278 4.340 0.001 0.000 0.209 472 L C 2.170 178.931 176.870 -0.182 0.000 1.083 472 L CA 2.045 56.820 54.840 -0.107 0.000 0.752 472 L CB -0.777 41.258 42.059 -0.041 0.000 0.899 472 L HN 0.241 nan 8.230 nan 0.000 0.433 473 A N -1.123 121.524 122.820 -0.288 0.000 1.902 473 A HA -0.135 4.186 4.320 0.001 0.000 0.217 473 A C 2.229 179.655 177.584 -0.263 0.000 1.181 473 A CA 1.982 53.806 52.037 -0.356 0.000 0.623 473 A CB -1.059 17.576 19.000 -0.608 0.000 0.818 473 A HN 0.301 nan 8.150 nan 0.000 0.443 474 V N 1.407 121.150 119.914 -0.285 0.000 2.427 474 V HA -0.247 3.874 4.120 0.001 0.000 0.248 474 V C 2.538 178.529 176.094 -0.172 0.000 1.051 474 V CA 2.003 64.150 62.300 -0.256 0.000 1.048 474 V CB -1.054 30.484 31.823 -0.474 0.000 0.666 474 V HN 0.767 nan 8.190 nan 0.000 0.456 475 N N 0.735 119.337 118.700 -0.164 0.000 2.084 475 N HA -0.220 4.521 4.740 0.001 0.000 0.190 475 N C 2.022 177.488 175.510 -0.073 0.000 1.030 475 N CA 1.555 54.553 53.050 -0.087 0.000 0.849 475 N CB -0.129 38.320 38.487 -0.063 0.000 1.012 475 N HN 0.263 nan 8.380 nan 0.000 0.423 476 R N 0.895 121.339 120.500 -0.093 0.000 2.075 476 R HA 0.047 4.388 4.340 0.001 0.000 0.232 476 R C 2.224 178.479 176.300 -0.075 0.000 1.126 476 R CA 1.092 57.144 56.100 -0.080 0.000 0.963 476 R CB -1.343 28.897 30.300 -0.099 0.000 0.858 476 R HN 0.364 nan 8.270 nan 0.000 0.435 477 A N 1.157 123.923 122.820 -0.090 0.000 1.883 477 A HA -0.192 4.129 4.320 0.001 0.000 0.217 477 A C 2.329 179.887 177.584 -0.044 0.000 1.186 477 A CA 1.676 53.673 52.037 -0.068 0.000 0.624 477 A CB -0.478 18.479 19.000 -0.072 0.000 0.822 477 A HN 0.260 nan 8.150 nan 0.000 0.444 478 R N -0.554 119.921 120.500 -0.042 0.000 2.066 478 R HA -0.066 4.274 4.340 0.001 0.000 0.232 478 R C 2.321 178.610 176.300 -0.018 0.000 1.131 478 R CA 1.392 57.479 56.100 -0.022 0.000 0.955 478 R CB -0.418 29.873 30.300 -0.015 0.000 0.851 478 R HN 0.435 nan 8.270 nan 0.000 0.432 479 A N -0.130 122.677 122.820 -0.023 0.000 1.978 479 A HA -0.151 4.169 4.320 0.001 0.000 0.220 479 A C 1.993 179.567 177.584 -0.018 0.000 1.170 479 A CA 2.045 54.072 52.037 -0.016 0.000 0.636 479 A CB -0.558 18.432 19.000 -0.017 0.000 0.810 479 A HN 0.624 nan 8.150 nan 0.000 0.448 480 T N -4.885 109.655 114.554 -0.025 0.000 3.054 480 T HA 0.169 4.520 4.350 0.001 0.000 0.255 480 T C 0.554 175.241 174.700 -0.022 0.000 1.035 480 T CA 0.540 62.625 62.100 -0.025 0.000 0.941 480 T CB -0.388 68.460 68.868 -0.034 0.000 1.026 480 T HN 0.442 nan 8.240 nan 0.000 0.533 481 N N 1.147 119.835 118.700 -0.019 0.000 2.707 481 N HA -0.153 4.587 4.740 0.001 0.000 0.253 481 N C -1.082 174.419 175.510 -0.015 0.000 0.998 481 N CA 1.062 54.103 53.050 -0.013 0.000 0.751 481 N CB -1.557 36.924 38.487 -0.009 0.000 0.920 481 N HN 0.573 nan 8.380 nan 0.000 0.539 482 T N 0.922 115.464 114.554 -0.021 0.000 2.863 482 T HA 0.518 4.868 4.350 0.001 0.000 0.285 482 T C -2.546 172.149 174.700 -0.009 0.000 1.009 482 T CA -1.174 60.914 62.100 -0.021 0.000 0.989 482 T CB 1.923 70.768 68.868 -0.039 0.000 1.004 482 T HN -0.043 nan 8.240 nan 0.000 0.455 483 P HA 0.370 nan 4.420 nan 0.000 0.266 483 P C -1.419 175.910 177.300 0.048 0.000 1.195 483 P CA -0.245 62.889 63.100 0.057 0.000 0.768 483 P CB 0.420 32.194 31.700 0.122 0.000 0.838 484 A N 2.717 125.564 122.820 0.045 0.000 2.343 484 A HA 0.616 4.936 4.320 0.001 0.000 0.316 484 A C -1.022 176.599 177.584 0.063 0.000 1.104 484 A CA -0.566 51.470 52.037 -0.001 0.000 0.768 484 A CB 1.071 20.010 19.000 -0.100 0.000 1.213 484 A HN 0.320 nan 8.150 nan 0.000 0.456 485 V N 2.574 122.548 119.914 0.100 0.000 2.444 485 V HA 0.399 4.520 4.120 0.001 0.000 0.294 485 V C -1.038 175.216 176.094 0.266 0.000 1.022 485 V CA -0.337 62.085 62.300 0.203 0.000 0.850 485 V CB 1.115 33.094 31.823 0.260 0.000 0.992 485 V HN 0.739 nan 8.190 nan 0.000 0.426 486 F N 3.423 123.483 119.950 0.183 0.000 2.420 486 F HA 0.379 4.906 4.527 0.001 0.000 0.352 486 F C -0.111 175.925 175.800 0.393 0.000 1.108 486 F CA -0.256 57.888 58.000 0.240 0.000 1.162 486 F CB 0.934 39.983 39.000 0.082 0.000 1.118 486 F HN 0.492 nan 8.300 nan 0.000 0.510 487 W N 6.741 128.200 121.300 0.264 0.000 2.318 487 W HA 0.566 5.226 4.660 0.001 0.000 0.362 487 W C -1.025 175.644 176.519 0.250 0.000 0.978 487 W CA -0.836 56.641 57.345 0.220 0.000 1.509 487 W CB -0.094 29.477 29.460 0.186 0.000 1.437 487 W HN 0.188 nan 8.180 nan 0.000 0.361 488 L N 2.782 124.230 121.223 0.375 0.000 2.436 488 L HA 0.307 4.647 4.340 0.001 0.000 0.268 488 L C -0.351 176.630 176.870 0.184 0.000 0.974 488 L CA -0.904 54.109 54.840 0.288 0.000 0.826 488 L CB 2.220 44.436 42.059 0.262 0.000 1.291 488 L HN -0.067 nan 8.230 nan 0.000 0.406 489 D N 4.262 124.768 120.400 0.177 0.000 2.347 489 D HA 0.257 4.898 4.640 0.001 0.000 0.235 489 D C -1.849 174.501 176.300 0.082 0.000 1.149 489 D CA -2.010 52.071 54.000 0.135 0.000 0.850 489 D CB 2.049 42.964 40.800 0.191 0.000 1.061 489 D HN 0.159 nan 8.370 nan 0.000 0.487 490 P HA -0.096 nan 4.420 nan 0.000 0.221 490 P C 0.816 178.118 177.300 0.002 0.000 1.145 490 P CA 0.991 64.103 63.100 0.019 0.000 0.795 490 P CB 0.297 32.004 31.700 0.010 0.000 0.775 491 A N -0.838 121.988 122.820 0.011 0.000 2.066 491 A HA -0.062 4.258 4.320 0.001 0.000 0.218 491 A C 1.302 178.808 177.584 -0.129 0.000 1.157 491 A CA 0.602 52.617 52.037 -0.036 0.000 0.670 491 A CB -0.591 18.416 19.000 0.012 0.000 0.804 491 A HN 0.120 nan 8.150 nan 0.000 0.453 492 R N -0.482 119.956 120.500 -0.103 0.000 2.340 492 R HA 0.425 4.766 4.340 0.001 0.000 0.300 492 R C 1.236 177.503 176.300 -0.055 0.000 1.069 492 R CA 0.207 56.223 56.100 -0.139 0.000 0.984 492 R CB 0.913 31.186 30.300 -0.044 0.000 1.003 492 R HN 0.284 nan 8.270 nan 0.000 0.459 493 A N 2.480 125.264 122.820 -0.060 0.000 1.940 493 A HA -0.250 4.070 4.320 0.001 0.000 0.219 493 A C 1.913 179.502 177.584 0.008 0.000 1.176 493 A CA 1.798 53.820 52.037 -0.025 0.000 0.631 493 A CB -0.523 18.464 19.000 -0.022 0.000 0.814 493 A HN 0.916 nan 8.150 nan 0.000 0.446 494 H N 0.021 119.062 119.070 -0.048 0.000 2.299 494 H HA -0.094 4.462 4.556 0.001 0.000 0.302 494 H C 1.534 176.863 175.328 0.002 0.000 1.078 494 H CA 2.017 58.048 56.048 -0.028 0.000 1.323 494 H CB -0.206 29.534 29.762 -0.037 0.000 1.381 494 H HN 0.386 nan 8.280 nan 0.000 0.498 495 D N 0.255 120.656 120.400 0.002 0.000 2.149 495 D HA -0.130 4.510 4.640 0.001 0.000 0.198 495 D C 2.220 178.492 176.300 -0.045 0.000 0.990 495 D CA 1.401 55.397 54.000 -0.006 0.000 0.839 495 D CB -0.649 40.220 40.800 0.115 0.000 0.948 495 D HN 0.566 nan 8.370 nan 0.000 0.460 496 A N 0.674 123.470 122.820 -0.040 0.000 1.908 496 A HA -0.236 4.085 4.320 0.001 0.000 0.218 496 A C 2.087 179.630 177.584 -0.068 0.000 1.181 496 A CA 1.348 53.360 52.037 -0.042 0.000 0.627 496 A CB -0.450 18.528 19.000 -0.036 0.000 0.818 496 A HN 0.114 nan 8.150 nan 0.000 0.445 497 Q N -0.402 119.338 119.800 -0.100 0.000 2.124 497 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 497 Q C 2.312 178.246 176.000 -0.110 0.000 0.977 497 Q CA 1.611 57.351 55.803 -0.105 0.000 0.850 497 Q CB -0.575 28.093 28.738 -0.116 0.000 0.901 497 Q HN 0.521 nan 8.270 nan 0.000 0.429 498 V N 1.072 120.894 119.914 -0.153 0.000 2.453 498 V HA -0.205 3.915 4.120 0.001 0.000 0.247 498 V C 2.307 178.405 176.094 0.007 0.000 1.048 498 V CA 1.103 63.368 62.300 -0.057 0.000 1.049 498 V CB -0.471 31.314 31.823 -0.063 0.000 0.672 498 V HN 0.263 nan 8.190 nan 0.000 0.457 499 I N 0.617 121.174 120.570 -0.023 0.000 2.226 499 I HA -0.266 3.905 4.170 0.001 0.000 0.245 499 I C 2.699 178.756 176.117 -0.099 0.000 1.100 499 I CA 1.530 62.799 61.300 -0.052 0.000 1.374 499 I CB -0.568 37.409 38.000 -0.038 0.000 1.057 499 I HN 0.310 nan 8.210 nan 0.000 0.413 500 A N 0.809 123.573 122.820 -0.092 0.000 1.908 500 A HA -0.247 4.073 4.320 0.001 0.000 0.218 500 A C 2.318 179.795 177.584 -0.179 0.000 1.181 500 A CA 1.781 53.747 52.037 -0.118 0.000 0.627 500 A CB -0.441 18.500 19.000 -0.097 0.000 0.818 500 A HN 0.345 nan 8.150 nan 0.000 0.445 501 K N -0.637 119.668 120.400 -0.158 0.000 2.031 501 K HA -0.022 4.298 4.320 0.001 0.000 0.205 501 K C 1.912 178.355 176.600 -0.262 0.000 1.049 501 K CA 1.257 57.385 56.287 -0.266 0.000 0.939 501 K CB -0.355 32.147 32.500 0.003 0.000 0.717 501 K HN 0.287 nan 8.250 nan 0.000 0.438 502 V N 2.187 122.034 119.914 -0.112 0.000 2.287 502 V HA -0.267 3.854 4.120 0.001 0.000 0.248 502 V C 1.989 177.930 176.094 -0.256 0.000 1.053 502 V CA 1.857 64.030 62.300 -0.211 0.000 1.027 502 V CB -0.473 31.050 31.823 -0.499 0.000 0.646 502 V HN 0.351 nan 8.190 nan 0.000 0.447 503 E N -0.328 119.727 120.200 -0.241 0.000 2.085 503 E HA -0.260 4.091 4.350 0.001 0.000 0.194 503 E C 2.470 178.976 176.600 -0.156 0.000 0.994 503 E CA 1.217 57.505 56.400 -0.188 0.000 0.801 503 E CB -0.222 29.386 29.700 -0.153 0.000 0.743 503 E HN 0.405 nan 8.360 nan 0.000 0.453 504 R N 0.376 120.739 120.500 -0.229 0.000 2.062 504 R HA -0.106 4.234 4.340 0.001 0.000 0.229 504 R C 2.038 178.260 176.300 -0.130 0.000 1.128 504 R CA 1.253 57.206 56.100 -0.246 0.000 0.960 504 R CB -0.221 29.822 30.300 -0.428 0.000 0.855 504 R HN 0.324 nan 8.270 nan 0.000 0.432 505 Y N 0.520 120.829 120.300 0.016 0.000 2.352 505 Y HA -0.109 4.442 4.550 0.001 0.000 0.292 505 Y C 2.282 178.286 175.900 0.173 0.000 1.136 505 Y CA 0.199 58.351 58.100 0.087 0.000 1.227 505 Y CB -0.015 38.515 38.460 0.116 0.000 0.991 505 Y HN 0.046 nan 8.280 nan 0.000 0.545 506 L N 0.252 121.598 121.223 0.204 0.000 2.265 506 L HA -0.223 4.117 4.340 0.001 0.000 0.215 506 L C 1.803 178.801 176.870 0.213 0.000 1.117 506 L CA 1.330 56.279 54.840 0.182 0.000 0.782 506 L CB -0.321 41.739 42.059 0.001 0.000 0.914 506 L HN 0.238 nan 8.230 nan 0.000 0.441 507 K N -0.505 119.973 120.400 0.131 0.000 2.486 507 K HA -0.072 4.248 4.320 0.001 0.000 0.194 507 K C 0.775 177.408 176.600 0.055 0.000 1.033 507 K CA 0.452 56.783 56.287 0.074 0.000 1.004 507 K CB 0.058 32.571 32.500 0.022 0.000 0.798 507 K HN 0.260 nan 8.250 nan 0.000 0.495 508 D N -0.225 120.209 120.400 0.056 0.000 2.340 508 D HA -0.001 4.639 4.640 0.001 0.000 0.220 508 D C -0.337 175.676 176.300 -0.479 0.000 1.039 508 D CA 0.716 54.581 54.000 -0.225 0.000 0.866 508 D CB 0.218 40.803 40.800 -0.358 0.000 0.913 508 D HN 0.108 nan 8.370 nan 0.000 0.523 509 Y N -0.199 120.116 120.300 0.024 0.000 2.576 509 Y HA 0.270 4.821 4.550 0.001 0.000 0.346 509 Y C -0.071 175.835 175.900 0.011 0.000 1.018 509 Y CA -1.722 56.388 58.100 0.016 0.000 1.050 509 Y CB 1.044 39.514 38.460 0.017 0.000 1.280 509 Y HN -0.361 nan 8.280 nan 0.000 0.474 510 D N 0.518 121.018 120.400 0.166 0.000 2.393 510 D HA 0.160 4.801 4.640 0.001 0.000 0.232 510 D C 0.521 176.877 176.300 0.093 0.000 1.192 510 D CA -0.118 53.938 54.000 0.094 0.000 0.882 510 D CB 0.607 41.443 40.800 0.061 0.000 1.038 510 D HN 0.642 nan 8.370 nan 0.000 0.499 511 T N -0.023 114.577 114.554 0.077 0.000 3.145 511 T HA 0.039 4.389 4.350 0.001 0.000 0.255 511 T C 1.784 176.504 174.700 0.034 0.000 1.039 511 T CA 0.250 62.381 62.100 0.052 0.000 0.928 511 T CB -0.285 68.613 68.868 0.050 0.000 1.029 511 T HN 0.288 nan 8.240 nan 0.000 0.554 512 S N 2.385 118.105 115.700 0.032 0.000 2.427 512 S HA -0.206 4.264 4.470 0.001 0.000 0.261 512 S C 2.074 176.684 174.600 0.017 0.000 1.091 512 S CA 1.766 59.979 58.200 0.022 0.000 1.251 512 S CB -1.575 61.637 63.200 0.020 0.000 1.160 512 S HN 0.728 nan 8.310 nan 0.000 0.436 513 G N 1.391 110.201 108.800 0.016 0.000 3.371 513 G HA2 0.536 4.496 3.960 0.001 0.000 0.248 513 G HA3 0.536 4.496 3.960 0.001 0.000 0.248 513 G C 0.177 175.085 174.900 0.013 0.000 1.161 513 G CA -0.449 44.659 45.100 0.013 0.000 0.796 513 G HN 0.447 nan 8.290 nan 0.000 0.539 514 L N -0.349 120.883 121.223 0.015 0.000 2.387 514 L HA 0.466 4.807 4.340 0.001 0.000 0.266 514 L C -0.603 176.279 176.870 0.020 0.000 1.059 514 L CA -0.971 53.878 54.840 0.014 0.000 0.801 514 L CB 1.678 43.743 42.059 0.010 0.000 1.223 514 L HN -0.093 nan 8.230 nan 0.000 0.456 515 D N 2.400 122.815 120.400 0.025 0.000 2.462 515 D HA 0.441 5.081 4.640 0.001 0.000 0.249 515 D C -0.921 175.407 176.300 0.047 0.000 1.117 515 D CA -0.170 53.852 54.000 0.037 0.000 0.900 515 D CB 0.565 41.397 40.800 0.053 0.000 1.039 515 D HN 0.274 nan 8.370 nan 0.000 0.516 516 I N 3.759 124.357 120.570 0.046 0.000 2.465 516 I HA 0.501 4.671 4.170 0.001 0.000 0.291 516 I C 0.267 176.423 176.117 0.066 0.000 1.014 516 I CA -0.849 60.499 61.300 0.080 0.000 1.093 516 I CB 1.777 39.841 38.000 0.107 0.000 1.267 516 I HN 0.225 nan 8.210 nan 0.000 0.431 517 R N 5.874 126.431 120.500 0.094 0.000 2.764 517 R HA 0.750 5.090 4.340 0.001 0.000 0.270 517 R C -1.882 174.482 176.300 0.106 0.000 1.014 517 R CA -0.921 55.198 56.100 0.030 0.000 0.904 517 R CB 1.976 32.223 30.300 -0.089 0.000 1.236 517 R HN 0.475 nan 8.270 nan 0.000 0.466 518 I N 2.548 123.137 120.570 0.032 0.000 2.389 518 I HA 0.419 4.589 4.170 0.001 0.000 0.288 518 I C -0.642 175.478 176.117 0.005 0.000 0.999 518 I CA -0.877 60.468 61.300 0.074 0.000 1.129 518 I CB 1.618 39.620 38.000 0.004 0.000 1.288 518 I HN 0.369 nan 8.210 nan 0.000 0.444 519 L N 4.327 125.557 121.223 0.012 0.000 2.350 519 L HA 0.488 4.829 4.340 0.001 0.000 0.260 519 L C 0.252 177.103 176.870 -0.030 0.000 1.015 519 L CA -0.809 53.989 54.840 -0.070 0.000 0.821 519 L CB 2.440 44.386 42.059 -0.188 0.000 1.370 519 L HN 0.629 nan 8.230 nan 0.000 0.416 520 S N -0.020 115.658 115.700 -0.037 0.000 2.584 520 S HA 0.226 4.696 4.470 0.001 0.000 0.270 520 S C -2.066 172.504 174.600 -0.049 0.000 1.346 520 S CA -0.839 57.370 58.200 0.015 0.000 1.018 520 S CB 0.988 64.199 63.200 0.019 0.000 0.899 520 S HN 0.412 nan 8.310 nan 0.000 0.542 521 P HA -0.124 nan 4.420 nan 0.000 0.216 521 P C 1.550 178.774 177.300 -0.128 0.000 1.153 521 P CA 0.839 63.995 63.100 0.092 0.000 0.858 521 P CB -0.101 31.796 31.700 0.329 0.000 0.789 522 V N -0.037 119.847 119.914 -0.049 0.000 2.295 522 V HA -0.254 3.866 4.120 0.001 0.000 0.246 522 V C 2.252 178.279 176.094 -0.112 0.000 1.049 522 V CA 1.910 64.177 62.300 -0.054 0.000 1.024 522 V CB -1.157 30.656 31.823 -0.016 0.000 0.648 522 V HN 0.196 nan 8.190 nan 0.000 0.447 523 E N 0.352 120.477 120.200 -0.126 0.000 2.072 523 E HA -0.174 4.176 4.350 0.001 0.000 0.191 523 E C 2.335 178.815 176.600 -0.200 0.000 0.985 523 E CA 1.263 57.590 56.400 -0.122 0.000 0.801 523 E CB -0.375 29.258 29.700 -0.112 0.000 0.750 523 E HN 0.585 nan 8.360 nan 0.000 0.452 524 A N 1.019 123.578 122.820 -0.436 0.000 1.940 524 A HA -0.196 4.125 4.320 0.001 0.000 0.219 524 A C 2.369 179.548 177.584 -0.675 0.000 1.176 524 A CA 1.938 53.538 52.037 -0.729 0.000 0.631 524 A CB -0.884 17.116 19.000 -1.666 0.000 0.814 524 A HN 0.181 nan 8.150 nan 0.000 0.446 525 T N -0.494 113.651 114.554 -0.683 0.000 2.708 525 T HA -0.125 4.226 4.350 0.001 0.000 0.266 525 T C 2.087 176.803 174.700 0.026 0.000 1.037 525 T CA 1.455 63.435 62.100 -0.200 0.000 1.146 525 T CB -0.219 68.639 68.868 -0.017 0.000 0.865 525 T HN 0.494 nan 8.240 nan 0.000 0.435 526 R N -0.131 120.374 120.500 0.008 0.000 2.081 526 R HA -0.021 4.319 4.340 0.001 0.000 0.235 526 R C 2.248 178.610 176.300 0.104 0.000 1.131 526 R CA 1.292 57.436 56.100 0.072 0.000 0.960 526 R CB -0.539 29.797 30.300 0.059 0.000 0.856 526 R HN 0.355 nan 8.270 nan 0.000 0.436 527 F N 1.493 121.406 119.950 -0.062 0.000 2.134 527 F HA -0.178 4.349 4.527 0.001 0.000 0.299 527 F C 2.209 177.999 175.800 -0.017 0.000 1.097 527 F CA 1.510 59.481 58.000 -0.049 0.000 1.264 527 F CB -0.225 38.723 39.000 -0.086 0.000 1.001 527 F HN -0.144 nan 8.300 nan 0.000 0.479 528 S N 0.725 116.410 115.700 -0.027 0.000 2.383 528 S HA -0.095 4.375 4.470 0.001 0.000 0.227 528 S C 2.136 176.710 174.600 -0.044 0.000 1.026 528 S CA 1.306 59.458 58.200 -0.080 0.000 0.981 528 S CB -0.452 62.833 63.200 0.141 0.000 0.818 528 S HN 0.371 nan 8.310 nan 0.000 0.472 529 L N 1.006 122.283 121.223 0.091 0.000 2.109 529 L HA -0.048 4.293 4.340 0.001 0.000 0.207 529 L C 2.791 179.698 176.870 0.061 0.000 1.086 529 L CA 1.001 55.943 54.840 0.171 0.000 0.760 529 L CB -0.726 41.492 42.059 0.266 0.000 0.910 529 L HN 0.311 nan 8.230 nan 0.000 0.437 530 A N 0.441 123.246 122.820 -0.025 0.000 1.877 530 A HA -0.218 4.103 4.320 0.001 0.000 0.216 530 A C 2.395 179.898 177.584 -0.135 0.000 1.186 530 A CA 1.564 53.552 52.037 -0.081 0.000 0.620 530 A CB -0.470 18.485 19.000 -0.076 0.000 0.822 530 A HN 0.303 nan 8.150 nan 0.000 0.443 531 R N -0.985 119.372 120.500 -0.238 0.000 2.081 531 R HA -0.000 4.340 4.340 0.001 0.000 0.235 531 R C 2.116 178.330 176.300 -0.144 0.000 1.131 531 R CA 1.436 57.387 56.100 -0.248 0.000 0.960 531 R CB -0.448 29.607 30.300 -0.408 0.000 0.856 531 R HN 0.619 nan 8.270 nan 0.000 0.436 532 I N 0.819 121.327 120.570 -0.103 0.000 2.286 532 I HA -0.272 3.899 4.170 0.001 0.000 0.248 532 I C 1.993 178.120 176.117 0.016 0.000 1.115 532 I CA 1.328 62.599 61.300 -0.048 0.000 1.392 532 I CB 0.051 38.036 38.000 -0.025 0.000 1.065 532 I HN 0.131 nan 8.210 nan 0.000 0.418 533 R N 0.512 121.037 120.500 0.041 0.000 2.235 533 R HA -0.133 4.208 4.340 0.001 0.000 0.213 533 R C 1.447 177.737 176.300 -0.018 0.000 1.059 533 R CA 1.256 57.381 56.100 0.042 0.000 0.997 533 R CB -0.112 30.180 30.300 -0.013 0.000 0.884 533 R HN 0.591 nan 8.270 nan 0.000 0.462 534 E N -0.592 119.580 120.200 -0.046 0.000 2.463 534 E HA 0.124 4.474 4.350 0.001 0.000 0.193 534 E C 0.589 177.164 176.600 -0.042 0.000 1.041 534 E CA 0.384 56.753 56.400 -0.051 0.000 0.879 534 E CB 0.643 30.304 29.700 -0.066 0.000 0.997 534 E HN 0.220 nan 8.360 nan 0.000 0.478 535 G N 1.433 110.212 108.800 -0.035 0.000 2.132 535 G HA2 -0.280 3.680 3.960 0.001 0.000 0.234 535 G HA3 -0.280 3.680 3.960 0.001 0.000 0.234 535 G C -0.110 174.760 174.900 -0.049 0.000 0.989 535 G CA 0.241 45.321 45.100 -0.033 0.000 0.676 535 G HN 0.242 nan 8.290 nan 0.000 0.522 536 K N 0.317 120.674 120.400 -0.071 0.000 2.156 536 K HA 0.548 4.869 4.320 0.001 0.000 0.250 536 K C -0.797 175.737 176.600 -0.110 0.000 0.955 536 K CA -0.946 55.289 56.287 -0.087 0.000 0.855 536 K CB 1.152 33.589 32.500 -0.104 0.000 1.101 536 K HN 0.084 nan 8.250 nan 0.000 0.434 537 D N 0.871 121.210 120.400 -0.103 0.000 2.268 537 D HA 0.384 5.025 4.640 0.001 0.000 0.249 537 D C -0.672 175.553 176.300 -0.125 0.000 1.008 537 D CA -0.140 53.788 54.000 -0.120 0.000 0.939 537 D CB 1.876 42.620 40.800 -0.093 0.000 1.170 537 D HN 0.337 nan 8.370 nan 0.000 0.468 538 T N 0.550 115.019 114.554 -0.142 0.000 3.071 538 T HA 0.380 4.731 4.350 0.001 0.000 0.311 538 T C 0.160 174.809 174.700 -0.084 0.000 1.042 538 T CA -0.565 61.483 62.100 -0.088 0.000 1.028 538 T CB 0.826 69.639 68.868 -0.091 0.000 1.068 538 T HN 0.160 nan 8.240 nan 0.000 0.451 539 I N 3.276 123.817 120.570 -0.049 0.000 2.441 539 I HA 0.315 4.486 4.170 0.001 0.000 0.287 539 I C 0.835 176.931 176.117 -0.034 0.000 1.049 539 I CA -0.345 60.906 61.300 -0.082 0.000 1.381 539 I CB 0.999 38.935 38.000 -0.107 0.000 1.409 539 I HN 0.679 nan 8.210 nan 0.000 0.523 540 S N 6.011 121.659 115.700 -0.086 0.000 2.442 540 S HA 0.595 5.066 4.470 0.001 0.000 0.297 540 S C -0.580 173.873 174.600 -0.246 0.000 1.131 540 S CA -0.761 57.383 58.200 -0.095 0.000 1.092 540 S CB 1.482 64.467 63.200 -0.359 0.000 0.998 540 S HN 0.317 nan 8.310 nan 0.000 0.478 541 V N 4.000 123.768 119.914 -0.243 0.000 2.313 541 V HA 0.655 4.776 4.120 0.001 0.000 0.278 541 V C 0.531 176.647 176.094 0.037 0.000 1.017 541 V CA -0.286 61.818 62.300 -0.326 0.000 0.823 541 V CB 0.453 31.607 31.823 -1.114 0.000 1.010 541 V HN 1.151 nan 8.190 nan 0.000 0.443 542 T N 1.674 116.343 114.554 0.192 0.000 2.831 542 T HA 0.806 5.157 4.350 0.001 0.000 0.287 542 T C 0.388 175.145 174.700 0.094 0.000 1.070 542 T CA -0.146 62.066 62.100 0.187 0.000 1.010 542 T CB 1.794 70.543 68.868 -0.198 0.000 1.264 542 T HN 0.741 nan 8.240 nan 0.000 0.532 543 G N 0.153 108.922 108.800 -0.051 0.000 2.588 543 G HA2 0.229 4.190 3.960 0.001 0.000 0.278 543 G HA3 0.229 4.190 3.960 0.001 0.000 0.278 543 G C 0.755 175.480 174.900 -0.290 0.000 1.307 543 G CA -0.511 44.439 45.100 -0.250 0.000 1.016 543 G HN 0.729 nan 8.290 nan 0.000 0.503 544 N N -1.276 117.238 118.700 -0.310 0.000 2.043 544 N HA -0.154 4.587 4.740 0.001 0.000 0.193 544 N C 2.432 177.759 175.510 -0.305 0.000 1.037 544 N CA 1.380 54.216 53.050 -0.357 0.000 0.851 544 N CB -0.388 37.891 38.487 -0.347 0.000 1.027 544 N HN 0.176 nan 8.380 nan 0.000 0.422 545 V N 1.460 121.197 119.914 -0.294 0.000 2.307 545 V HA -0.146 3.974 4.120 0.001 0.000 0.245 545 V C 2.473 178.046 176.094 -0.868 0.000 1.045 545 V CA 1.044 63.003 62.300 -0.568 0.000 1.024 545 V CB -0.443 30.824 31.823 -0.926 0.000 0.651 545 V HN 0.283 nan 8.190 nan 0.000 0.449 546 L N -0.082 120.687 121.223 -0.756 0.000 2.131 546 L HA -0.189 4.152 4.340 0.001 0.000 0.210 546 L C 2.755 179.412 176.870 -0.354 0.000 1.092 546 L CA 1.668 56.180 54.840 -0.547 0.000 0.759 546 L CB -0.622 41.231 42.059 -0.344 0.000 0.903 546 L HN 0.346 nan 8.230 nan 0.000 0.435 547 R N 0.546 120.862 120.500 -0.306 0.000 2.083 547 R HA -0.250 4.090 4.340 0.001 0.000 0.237 547 R C 1.935 178.153 176.300 -0.136 0.000 1.137 547 R CA 2.386 58.358 56.100 -0.214 0.000 0.951 547 R CB -0.351 29.815 30.300 -0.223 0.000 0.851 547 R HN 0.281 nan 8.270 nan 0.000 0.434 548 D N -0.411 119.913 120.400 -0.128 0.000 2.092 548 D HA -0.197 4.444 4.640 0.001 0.000 0.193 548 D C 1.893 178.304 176.300 0.185 0.000 0.994 548 D CA 1.690 55.712 54.000 0.037 0.000 0.828 548 D CB -0.337 40.540 40.800 0.128 0.000 0.963 548 D HN 0.455 nan 8.370 nan 0.000 0.450 549 Y N 0.033 120.293 120.300 -0.066 0.000 2.114 549 Y HA -0.120 4.431 4.550 0.001 0.000 0.284 549 Y C 2.522 178.387 175.900 -0.059 0.000 1.143 549 Y CA 0.248 58.331 58.100 -0.029 0.000 1.135 549 Y CB -0.116 38.280 38.460 -0.107 0.000 0.980 549 Y HN -0.006 nan 8.280 nan 0.000 0.499 550 L N -0.097 121.154 121.223 0.047 0.000 2.201 550 L HA -0.152 4.188 4.340 0.001 0.000 0.212 550 L C 2.356 179.279 176.870 0.088 0.000 1.105 550 L CA 1.636 56.488 54.840 0.020 0.000 0.775 550 L CB -0.860 41.152 42.059 -0.079 0.000 0.913 550 L HN 0.347 nan 8.230 nan 0.000 0.440 551 T N -5.196 109.384 114.554 0.044 0.000 3.148 551 T HA -0.102 4.249 4.350 0.001 0.000 0.253 551 T C 1.316 176.044 174.700 0.048 0.000 1.134 551 T CA 0.542 62.668 62.100 0.044 0.000 1.051 551 T CB 0.043 68.914 68.868 0.005 0.000 0.959 551 T HN 0.306 nan 8.240 nan 0.000 0.525 552 D N 0.168 120.600 120.400 0.053 0.000 2.615 552 D HA 0.050 4.691 4.640 0.001 0.000 0.259 552 D C 1.879 178.186 176.300 0.013 0.000 0.999 552 D CA 0.109 54.133 54.000 0.040 0.000 0.938 552 D CB 0.163 40.998 40.800 0.059 0.000 1.121 552 D HN 0.270 nan 8.370 nan 0.000 0.487 553 L N 0.808 122.020 121.223 -0.019 0.000 1.956 553 L HA -0.175 4.165 4.340 0.001 0.000 0.216 553 L C 2.264 178.988 176.870 -0.243 0.000 1.073 553 L CA 1.892 56.642 54.840 -0.151 0.000 0.762 553 L CB -1.160 40.719 42.059 -0.301 0.000 0.889 553 L HN 0.009 nan 8.230 nan 0.000 0.433 554 F N -0.678 119.254 119.950 -0.030 0.000 2.146 554 F HA -0.080 4.448 4.527 0.001 0.000 0.298 554 F C -0.234 175.525 175.800 -0.068 0.000 1.096 554 F CA 1.335 59.286 58.000 -0.081 0.000 1.275 554 F CB -1.794 37.156 39.000 -0.082 0.000 1.008 554 F HN 0.201 nan 8.300 nan 0.000 0.480 555 P HA -0.171 nan 4.420 nan 0.000 0.217 555 P C 1.872 179.167 177.300 -0.007 0.000 1.150 555 P CA 1.239 64.364 63.100 0.041 0.000 0.832 555 P CB 0.031 31.744 31.700 0.022 0.000 0.787 556 I N -1.458 119.106 120.570 -0.009 0.000 2.226 556 I HA -0.206 3.964 4.170 0.001 0.000 0.245 556 I C 2.036 178.169 176.117 0.027 0.000 1.100 556 I CA 1.834 63.124 61.300 -0.016 0.000 1.374 556 I CB -1.094 36.912 38.000 0.011 0.000 1.057 556 I HN 0.030 nan 8.210 nan 0.000 0.413 557 M N -0.013 119.614 119.600 0.045 0.000 2.132 557 M HA -0.141 4.339 4.480 0.001 0.000 0.263 557 M C 2.109 178.545 176.300 0.226 0.000 1.065 557 M CA 1.496 56.867 55.300 0.118 0.000 1.122 557 M CB -1.265 31.245 32.600 -0.150 0.000 1.365 557 M HN 0.267 nan 8.290 nan 0.000 0.411 558 E N -0.036 120.236 120.200 0.119 0.000 2.112 558 E HA -0.033 4.318 4.350 0.001 0.000 0.190 558 E C 1.634 178.344 176.600 0.184 0.000 0.979 558 E CA 0.855 57.347 56.400 0.155 0.000 0.814 558 E CB 0.135 29.884 29.700 0.082 0.000 0.762 558 E HN 0.456 nan 8.360 nan 0.000 0.460 559 L N -1.775 119.397 121.223 -0.086 0.000 2.966 559 L HA 0.386 4.726 4.340 0.001 0.000 0.262 559 L C 1.257 177.656 176.870 -0.786 0.000 1.165 559 L CA 0.137 54.811 54.840 -0.277 0.000 0.978 559 L CB 0.851 42.856 42.059 -0.090 0.000 1.337 559 L HN 0.181 nan 8.230 nan 0.000 0.563 560 G N 0.884 109.093 108.800 -0.985 0.000 2.168 560 G HA2 -0.297 3.663 3.960 0.001 0.000 0.263 560 G HA3 -0.297 3.663 3.960 0.001 0.000 0.263 560 G C 0.280 175.044 174.900 -0.227 0.000 0.977 560 G CA 0.770 45.488 45.100 -0.637 0.000 0.659 560 G HN 0.423 nan 8.290 nan 0.000 0.533 561 T N -1.739 112.705 114.554 -0.182 0.000 2.886 561 T HA 0.583 4.933 4.350 0.001 0.000 0.330 561 T C 0.579 175.235 174.700 -0.072 0.000 1.488 561 T CA 0.872 62.914 62.100 -0.096 0.000 1.054 561 T CB 1.031 69.843 68.868 -0.092 0.000 1.348 561 T HN 1.094 nan 8.240 nan 0.000 0.489 562 S N 1.227 116.896 115.700 -0.052 0.000 2.663 562 S HA 0.457 4.927 4.470 0.001 0.000 0.243 562 S C 1.263 175.832 174.600 -0.052 0.000 1.009 562 S CA 0.173 58.352 58.200 -0.036 0.000 0.988 562 S CB 0.509 63.702 63.200 -0.012 0.000 0.896 562 S HN 0.919 nan 8.310 nan 0.000 0.502 563 A N 1.385 124.154 122.820 -0.084 0.000 2.387 563 A HA 0.405 4.725 4.320 0.001 0.000 0.234 563 A C 0.542 178.040 177.584 -0.143 0.000 1.253 563 A CA -0.315 51.645 52.037 -0.129 0.000 0.894 563 A CB -0.013 18.869 19.000 -0.196 0.000 0.963 563 A HN 0.377 nan 8.150 nan 0.000 0.508 564 K N 1.178 121.518 120.400 -0.101 0.000 2.762 564 K HA 0.505 4.825 4.320 0.001 0.000 0.180 564 K C -0.638 175.928 176.600 -0.057 0.000 1.067 564 K CA 0.022 56.253 56.287 -0.094 0.000 0.973 564 K CB 0.433 32.882 32.500 -0.084 0.000 1.290 564 K HN 0.688 nan 8.250 nan 0.000 0.604 565 M N -1.400 118.170 119.600 -0.049 0.000 3.084 565 M HA 0.433 4.914 4.480 0.001 0.000 0.273 565 M C -1.839 174.454 176.300 -0.012 0.000 1.242 565 M CA -1.137 54.148 55.300 -0.025 0.000 0.819 565 M CB 1.156 33.745 32.600 -0.018 0.000 1.625 565 M HN 0.003 nan 8.290 nan 0.000 0.493 566 L N 1.425 122.649 121.223 0.002 0.000 2.312 566 L HA 0.559 4.899 4.340 0.001 0.000 0.281 566 L C -0.024 176.857 176.870 0.020 0.000 1.070 566 L CA -0.407 54.448 54.840 0.025 0.000 0.805 566 L CB 1.737 43.817 42.059 0.035 0.000 1.174 566 L HN 0.821 nan 8.230 nan 0.000 0.434 567 S N 4.423 120.142 115.700 0.033 0.000 2.259 567 S HA 0.518 4.988 4.470 0.001 0.000 0.181 567 S C -0.521 174.078 174.600 -0.002 0.000 1.589 567 S CA -0.503 57.699 58.200 0.002 0.000 1.234 567 S CB -0.054 63.140 63.200 -0.010 0.000 1.119 567 S HN 0.401 nan 8.310 nan 0.000 0.458 568 I N 3.263 123.829 120.570 -0.006 0.000 2.365 568 I HA 0.404 4.575 4.170 0.001 0.000 0.291 568 I C -0.448 175.572 176.117 -0.161 0.000 1.004 568 I CA -0.676 60.584 61.300 -0.067 0.000 1.311 568 I CB 1.783 39.811 38.000 0.046 0.000 1.401 568 I HN 0.188 nan 8.210 nan 0.000 0.491 569 V N 8.199 127.925 119.914 -0.313 0.000 2.305 569 V HA 0.256 4.376 4.120 0.001 0.000 0.275 569 V C -2.365 173.566 176.094 -0.273 0.000 1.020 569 V CA -1.652 60.500 62.300 -0.247 0.000 0.811 569 V CB 1.069 32.754 31.823 -0.229 0.000 1.031 569 V HN 0.573 nan 8.190 nan 0.000 0.439 570 P HA 0.196 nan 4.420 nan 0.000 0.268 570 P C 0.070 177.321 177.300 -0.082 0.000 1.485 570 P CA -0.033 63.009 63.100 -0.097 0.000 1.102 570 P CB 0.164 31.849 31.700 -0.025 0.000 1.501 571 L N 3.090 124.248 121.223 -0.109 0.000 2.540 571 L HA 0.028 4.369 4.340 0.001 0.000 0.276 571 L C 1.998 178.851 176.870 -0.028 0.000 1.212 571 L CA 0.220 55.015 54.840 -0.074 0.000 0.893 571 L CB 0.096 42.108 42.059 -0.078 0.000 1.138 571 L HN 0.405 nan 8.230 nan 0.000 0.491 572 M N 1.153 120.739 119.600 -0.024 0.000 2.446 572 M HA -0.141 4.339 4.480 0.001 0.000 0.263 572 M C 1.668 177.968 176.300 0.000 0.000 1.066 572 M CA 1.104 56.400 55.300 -0.007 0.000 1.087 572 M CB -0.122 32.472 32.600 -0.009 0.000 1.406 572 M HN 0.642 nan 8.290 nan 0.000 0.459 573 S N -0.551 115.149 115.700 -0.000 0.000 2.603 573 S HA 0.196 4.667 4.470 0.001 0.000 0.220 573 S C 1.414 176.027 174.600 0.021 0.000 0.967 573 S CA 0.722 58.926 58.200 0.008 0.000 0.920 573 S CB 0.207 63.411 63.200 0.007 0.000 0.773 573 S HN 0.762 nan 8.310 nan 0.000 0.529 574 G N 0.630 109.448 108.800 0.030 0.000 2.253 574 G HA2 -0.138 3.823 3.960 0.001 0.000 0.209 574 G HA3 -0.138 3.823 3.960 0.001 0.000 0.209 574 G C 0.387 175.361 174.900 0.122 0.000 0.997 574 G CA -0.299 44.837 45.100 0.059 0.000 0.640 574 G HN 0.754 nan 8.290 nan 0.000 0.496 575 G N -0.177 108.674 108.800 0.085 0.000 2.535 575 G HA2 0.694 4.655 3.960 0.001 0.000 0.282 575 G HA3 0.694 4.655 3.960 0.001 0.000 0.282 575 G C 0.345 175.209 174.900 -0.060 0.000 1.350 575 G CA 0.120 45.272 45.100 0.086 0.000 1.039 575 G HN 1.383 nan 8.290 nan 0.000 0.509 576 G N -1.461 107.151 108.800 -0.314 0.000 2.591 576 G HA2 0.567 4.528 3.960 0.001 0.000 0.306 576 G HA3 0.567 4.528 3.960 0.001 0.000 0.306 576 G C -1.776 172.738 174.900 -0.643 0.000 1.334 576 G CA -0.450 44.278 45.100 -0.620 0.000 0.981 576 G HN 0.790 nan 8.290 nan 0.000 0.491 577 L N 1.355 122.059 121.223 -0.865 0.000 2.356 577 L HA 0.851 5.192 4.340 0.001 0.000 0.277 577 L C -1.764 174.595 176.870 -0.852 0.000 0.996 577 L CA -1.179 53.313 54.840 -0.579 0.000 0.822 577 L CB 1.196 43.068 42.059 -0.311 0.000 1.256 577 L HN 0.362 nan 8.230 nan 0.000 0.413 578 F N 3.057 122.958 119.950 -0.082 0.000 2.434 578 F HA 0.467 4.995 4.527 0.001 0.000 0.355 578 F C 0.188 175.945 175.800 -0.072 0.000 1.115 578 F CA -0.579 57.381 58.000 -0.067 0.000 1.010 578 F CB 1.312 40.280 39.000 -0.053 0.000 1.234 578 F HN 0.440 nan 8.300 nan 0.000 0.439 579 E N 1.110 121.331 120.200 0.035 0.000 2.194 579 E HA 0.123 4.474 4.350 0.001 0.000 0.284 579 E C 0.907 177.523 176.600 0.026 0.000 1.035 579 E CA -0.113 56.290 56.400 0.006 0.000 0.836 579 E CB 1.250 30.936 29.700 -0.023 0.000 1.070 579 E HN 0.727 nan 8.360 nan 0.000 0.401 580 T N 0.177 114.740 114.554 0.015 0.000 3.055 580 T HA 0.116 4.466 4.350 0.001 0.000 0.265 580 T C 0.762 175.472 174.700 0.016 0.000 1.111 580 T CA 0.286 62.396 62.100 0.017 0.000 1.118 580 T CB 0.245 69.123 68.868 0.016 0.000 0.909 580 T HN 0.432 nan 8.240 nan 0.000 0.501 581 G N -1.085 107.733 108.800 0.030 0.000 2.703 581 G HA2 0.609 4.570 3.960 0.001 0.000 0.294 581 G HA3 0.609 4.570 3.960 0.001 0.000 0.294 581 G C 0.038 174.957 174.900 0.031 0.000 1.451 581 G CA -0.283 44.834 45.100 0.028 0.000 0.869 581 G HN 0.271 nan 8.290 nan 0.000 0.516 582 A N -0.177 122.655 122.820 0.021 0.000 2.348 582 A HA 0.673 4.993 4.320 0.001 0.000 0.224 582 A C 1.326 178.935 177.584 0.042 0.000 1.227 582 A CA 1.250 53.302 52.037 0.026 0.000 0.885 582 A CB -0.090 18.920 19.000 0.017 0.000 0.933 582 A HN 1.356 nan 8.150 nan 0.000 0.506 583 G N -0.746 108.085 108.800 0.051 0.000 2.641 583 G HA2 0.495 4.456 3.960 0.001 0.000 0.239 583 G HA3 0.495 4.456 3.960 0.001 0.000 0.239 583 G C 0.502 175.454 174.900 0.086 0.000 1.402 583 G CA -0.049 45.088 45.100 0.061 0.000 1.046 583 G HN 0.529 nan 8.290 nan 0.000 0.565 584 G N -1.390 107.462 108.800 0.087 0.000 2.543 584 G HA2 0.392 4.352 3.960 0.001 0.000 0.290 584 G HA3 0.392 4.352 3.960 0.001 0.000 0.290 584 G C 0.895 175.867 174.900 0.120 0.000 1.310 584 G CA 0.644 45.791 45.100 0.080 0.000 1.025 584 G HN 1.049 nan 8.290 nan 0.000 0.502 585 S N -1.255 114.462 115.700 0.028 0.000 2.660 585 S HA 0.442 4.912 4.470 0.001 0.000 0.227 585 S C 1.048 175.574 174.600 -0.123 0.000 0.948 585 S CA 0.696 58.833 58.200 -0.105 0.000 0.948 585 S CB -0.135 62.967 63.200 -0.163 0.000 0.779 585 S HN 2.146 nan 8.310 nan 0.000 0.487 586 A N 1.935 124.746 122.820 -0.015 0.000 2.018 586 A HA -0.083 4.237 4.320 0.001 0.000 0.263 586 A C -1.107 176.444 177.584 -0.054 0.000 1.361 586 A CA 0.266 52.234 52.037 -0.114 0.000 0.737 586 A CB -1.715 17.032 19.000 -0.422 0.000 1.189 586 A HN 0.464 nan 8.150 nan 0.000 0.304 587 P HA -0.146 nan 4.420 nan 0.000 0.216 587 P C 1.441 178.828 177.300 0.146 0.000 1.150 587 P CA 1.618 64.789 63.100 0.117 0.000 0.837 587 P CB 0.054 31.826 31.700 0.119 0.000 0.786 588 K N -1.434 119.042 120.400 0.127 0.000 2.147 588 K HA -0.154 4.167 4.320 0.001 0.000 0.205 588 K C 2.055 178.835 176.600 0.301 0.000 1.049 588 K CA 1.100 57.497 56.287 0.184 0.000 0.936 588 K CB -0.533 32.071 32.500 0.172 0.000 0.722 588 K HN 0.444 nan 8.250 nan 0.000 0.446 589 H N -0.373 118.784 119.070 0.144 0.000 2.389 589 H HA -0.065 4.492 4.556 0.001 0.000 0.299 589 H C 2.134 177.552 175.328 0.151 0.000 1.081 589 H CA 0.836 56.983 56.048 0.166 0.000 1.345 589 H CB 0.251 30.137 29.762 0.207 0.000 1.393 589 H HN -0.058 nan 8.280 nan 0.000 0.520 590 V N 1.198 121.253 119.914 0.235 0.000 2.358 590 V HA -0.254 3.866 4.120 0.001 0.000 0.246 590 V C 2.218 178.461 176.094 0.248 0.000 1.047 590 V CA 1.601 64.007 62.300 0.176 0.000 1.035 590 V CB -0.496 31.345 31.823 0.031 0.000 0.658 590 V HN 0.431 nan 8.190 nan 0.000 0.452 591 Q N -0.203 119.733 119.800 0.226 0.000 2.030 591 Q HA -0.329 4.011 4.340 0.001 0.000 0.204 591 Q C 2.398 178.490 176.000 0.153 0.000 0.986 591 Q CA 2.315 58.221 55.803 0.173 0.000 0.843 591 Q CB -0.289 28.526 28.738 0.129 0.000 0.904 591 Q HN 0.717 nan 8.270 nan 0.000 0.420 592 Q N -0.069 119.838 119.800 0.180 0.000 2.084 592 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 592 Q C 1.890 178.007 176.000 0.194 0.000 0.978 592 Q CA 1.342 57.245 55.803 0.167 0.000 0.844 592 Q CB -0.167 28.685 28.738 0.191 0.000 0.898 592 Q HN 0.359 nan 8.270 nan 0.000 0.426 593 F N 0.869 120.872 119.950 0.089 0.000 2.134 593 F HA -0.167 4.360 4.527 0.001 0.000 0.299 593 F C 1.650 177.472 175.800 0.037 0.000 1.097 593 F CA 1.394 59.428 58.000 0.057 0.000 1.264 593 F CB -0.170 38.841 39.000 0.019 0.000 1.001 593 F HN 0.071 nan 8.300 nan 0.000 0.479 594 L N -0.414 120.800 121.223 -0.014 0.000 2.156 594 L HA -0.132 4.209 4.340 0.001 0.000 0.208 594 L C 2.269 179.075 176.870 -0.106 0.000 1.095 594 L CA 1.317 56.087 54.840 -0.116 0.000 0.770 594 L CB -0.676 41.403 42.059 0.033 0.000 0.914 594 L HN 0.166 nan 8.230 nan 0.000 0.439 595 E N 0.396 120.575 120.200 -0.036 0.000 2.076 595 E HA -0.158 4.192 4.350 0.001 0.000 0.190 595 E C 0.972 177.544 176.600 -0.047 0.000 0.979 595 E CA 1.222 57.605 56.400 -0.029 0.000 0.807 595 E CB 0.277 29.981 29.700 0.006 0.000 0.761 595 E HN 0.595 nan 8.360 nan 0.000 0.454 596 E N -1.330 118.846 120.200 -0.039 0.000 2.846 596 E HA 0.246 4.596 4.350 0.001 0.000 0.211 596 E C 0.401 176.985 176.600 -0.027 0.000 0.975 596 E CA 0.175 56.558 56.400 -0.028 0.000 1.211 596 E CB 0.929 30.634 29.700 0.007 0.000 1.052 596 E HN 0.149 nan 8.360 nan 0.000 0.487 597 G N 1.608 110.308 108.800 -0.166 0.000 2.305 597 G HA2 -0.352 3.609 3.960 0.001 0.000 0.287 597 G HA3 -0.352 3.609 3.960 0.001 0.000 0.287 597 G C -0.687 174.294 174.900 0.136 0.000 1.036 597 G CA 0.915 45.870 45.100 -0.241 0.000 0.887 597 G HN 0.494 nan 8.290 nan 0.000 0.505 598 Y N -0.812 119.576 120.300 0.147 0.000 2.346 598 Y HA 0.608 5.158 4.550 0.001 0.000 0.332 598 Y C -0.641 175.419 175.900 0.266 0.000 0.985 598 Y CA -1.618 56.596 58.100 0.191 0.000 1.112 598 Y CB 1.535 40.043 38.460 0.080 0.000 1.170 598 Y HN 0.257 nan 8.280 nan 0.000 0.447 599 L N 7.867 129.006 121.223 -0.140 0.000 2.276 599 L HA 0.492 4.833 4.340 0.001 0.000 0.286 599 L C 0.650 177.362 176.870 -0.263 0.000 1.024 599 L CA -0.165 54.611 54.840 -0.107 0.000 0.826 599 L CB 0.786 42.701 42.059 -0.240 0.000 1.211 599 L HN 0.799 nan 8.230 nan 0.000 0.422 600 R N 3.529 123.957 120.500 -0.121 0.000 2.317 600 R HA 0.042 4.383 4.340 0.001 0.000 0.208 600 R C 0.317 176.535 176.300 -0.137 0.000 0.914 600 R CA -0.481 55.539 56.100 -0.135 0.000 1.060 600 R CB -0.109 30.137 30.300 -0.089 0.000 1.015 600 R HN 0.652 nan 8.270 nan 0.000 0.498 601 W N 3.532 124.743 121.300 -0.147 0.000 2.343 601 W HA -0.029 4.632 4.660 0.001 0.000 0.337 601 W C -0.899 175.612 176.519 -0.014 0.000 1.320 601 W CA 0.318 57.722 57.345 0.098 0.000 1.290 601 W CB 0.460 29.995 29.460 0.126 0.000 1.206 601 W HN 0.094 nan 8.180 nan 0.000 0.565 602 D N 3.969 123.996 120.400 -0.621 0.000 2.313 602 D HA 0.099 4.739 4.640 0.001 0.000 0.239 602 D C 0.312 176.219 176.300 -0.654 0.000 1.142 602 D CA 0.022 53.723 54.000 -0.498 0.000 0.847 602 D CB 1.303 41.853 40.800 -0.416 0.000 1.082 602 D HN 0.245 nan 8.370 nan 0.000 0.480 603 S N 3.094 118.579 115.700 -0.357 0.000 2.631 603 S HA -0.031 4.440 4.470 0.001 0.000 0.217 603 S C 1.698 175.701 174.600 -0.994 0.000 0.958 603 S CA -0.445 57.508 58.200 -0.411 0.000 0.920 603 S CB -0.012 63.113 63.200 -0.124 0.000 0.776 603 S HN 0.504 nan 8.310 nan 0.000 0.517 604 L N 2.489 123.251 121.223 -0.767 0.000 2.051 604 L HA -0.130 4.211 4.340 0.001 0.000 0.214 604 L C 2.249 178.896 176.870 -0.372 0.000 1.076 604 L CA 2.081 56.582 54.840 -0.565 0.000 0.758 604 L CB -1.153 40.768 42.059 -0.231 0.000 0.890 604 L HN 0.364 nan 8.230 nan 0.000 0.433 605 G N -1.628 106.999 108.800 -0.289 0.000 2.450 605 G HA2 -0.269 3.691 3.960 0.001 0.000 0.220 605 G HA3 -0.269 3.691 3.960 0.001 0.000 0.220 605 G C 1.427 176.268 174.900 -0.098 0.000 1.130 605 G CA 0.938 45.950 45.100 -0.147 0.000 0.760 605 G HN 0.526 nan 8.290 nan 0.000 0.557 606 E N -0.129 119.979 120.200 -0.152 0.000 2.072 606 E HA -0.010 4.340 4.350 0.001 0.000 0.190 606 E C 2.174 178.815 176.600 0.068 0.000 0.982 606 E CA 0.692 57.081 56.400 -0.018 0.000 0.803 606 E CB -0.197 29.528 29.700 0.042 0.000 0.755 606 E HN 0.413 nan 8.360 nan 0.000 0.453 607 F N 0.835 120.767 119.950 -0.031 0.000 2.095 607 F HA -0.153 4.374 4.527 0.001 0.000 0.298 607 F C 2.063 177.775 175.800 -0.146 0.000 1.104 607 F CA 0.889 58.812 58.000 -0.127 0.000 1.232 607 F CB -1.075 37.838 39.000 -0.145 0.000 0.987 607 F HN 0.005 nan 8.300 nan 0.000 0.475 608 L N -0.256 121.012 121.223 0.075 0.000 2.017 608 L HA -0.196 4.145 4.340 0.001 0.000 0.208 608 L C 2.718 179.572 176.870 -0.026 0.000 1.073 608 L CA 1.363 56.204 54.840 0.001 0.000 0.745 608 L CB -1.179 40.876 42.059 -0.008 0.000 0.894 608 L HN 0.149 nan 8.230 nan 0.000 0.432 609 A N -0.117 122.699 122.820 -0.006 0.000 1.930 609 A HA -0.194 4.127 4.320 0.001 0.000 0.217 609 A C 2.200 179.702 177.584 -0.137 0.000 1.175 609 A CA 1.413 53.439 52.037 -0.018 0.000 0.627 609 A CB -0.583 18.452 19.000 0.058 0.000 0.815 609 A HN 0.327 nan 8.150 nan 0.000 0.443 610 L N -0.205 120.985 121.223 -0.055 0.000 2.046 610 L HA -0.035 4.306 4.340 0.001 0.000 0.208 610 L C 2.601 179.378 176.870 -0.154 0.000 1.077 610 L CA 2.133 56.935 54.840 -0.064 0.000 0.747 610 L CB -0.793 41.273 42.059 0.013 0.000 0.896 610 L HN 0.323 nan 8.230 nan 0.000 0.432 611 A N -0.538 122.180 122.820 -0.170 0.000 1.933 611 A HA -0.057 4.264 4.320 0.001 0.000 0.218 611 A C 2.436 179.911 177.584 -0.181 0.000 1.175 611 A CA 1.681 53.614 52.037 -0.174 0.000 0.628 611 A CB -1.079 17.819 19.000 -0.169 0.000 0.814 611 A HN 0.564 nan 8.150 nan 0.000 0.444 612 A N -0.888 121.782 122.820 -0.250 0.000 1.930 612 A HA -0.055 4.266 4.320 0.001 0.000 0.217 612 A C 2.467 179.654 177.584 -0.662 0.000 1.175 612 A CA 2.028 53.867 52.037 -0.330 0.000 0.627 612 A CB -0.873 17.976 19.000 -0.253 0.000 0.815 612 A HN 0.564 nan 8.150 nan 0.000 0.443 613 S N -0.378 114.766 115.700 -0.927 0.000 2.356 613 S HA -0.094 4.376 4.470 0.001 0.000 0.223 613 S C 1.954 176.420 174.600 -0.223 0.000 1.032 613 S CA 1.424 59.127 58.200 -0.829 0.000 1.005 613 S CB -0.484 62.417 63.200 -0.498 0.000 0.867 613 S HN 0.486 nan 8.310 nan 0.000 0.449 614 L N 1.074 122.217 121.223 -0.134 0.000 2.046 614 L HA -0.077 4.264 4.340 0.001 0.000 0.208 614 L C 2.783 179.668 176.870 0.025 0.000 1.077 614 L CA 1.874 56.710 54.840 -0.006 0.000 0.747 614 L CB -0.553 41.521 42.059 0.024 0.000 0.896 614 L HN 0.493 nan 8.230 nan 0.000 0.432 615 E N -0.601 119.595 120.200 -0.007 0.000 2.072 615 E HA -0.287 4.063 4.350 0.001 0.000 0.191 615 E C 2.267 178.915 176.600 0.080 0.000 0.985 615 E CA 0.994 57.412 56.400 0.029 0.000 0.801 615 E CB -0.080 29.627 29.700 0.012 0.000 0.750 615 E HN 0.478 nan 8.360 nan 0.000 0.452 616 H N 1.030 120.113 119.070 0.021 0.000 2.353 616 H HA -0.141 4.416 4.556 0.001 0.000 0.300 616 H C 2.282 177.697 175.328 0.146 0.000 1.090 616 H CA 1.621 57.740 56.048 0.119 0.000 1.327 616 H CB -0.213 29.697 29.762 0.248 0.000 1.383 616 H HN 0.323 nan 8.280 nan 0.000 0.508 617 L N 0.168 121.569 121.223 0.296 0.000 2.027 617 L HA -0.041 4.300 4.340 0.001 0.000 0.206 617 L C 2.793 179.795 176.870 0.219 0.000 1.074 617 L CA 1.516 56.536 54.840 0.300 0.000 0.745 617 L CB -0.797 41.375 42.059 0.189 0.000 0.898 617 L HN 0.366 nan 8.230 nan 0.000 0.433 618 G N -0.259 108.618 108.800 0.127 0.000 2.440 618 G HA2 -0.310 3.650 3.960 0.001 0.000 0.218 618 G HA3 -0.310 3.650 3.960 0.001 0.000 0.218 618 G C 1.321 176.267 174.900 0.075 0.000 1.154 618 G CA 0.987 46.145 45.100 0.097 0.000 0.767 618 G HN 0.411 nan 8.290 nan 0.000 0.552 619 N N 1.060 119.777 118.700 0.028 0.000 2.207 619 N HA -0.015 4.726 4.740 0.001 0.000 0.182 619 N C 2.556 178.033 175.510 -0.055 0.000 1.020 619 N CA 1.128 54.166 53.050 -0.020 0.000 0.858 619 N CB -0.440 38.015 38.487 -0.053 0.000 0.991 619 N HN 0.303 nan 8.380 nan 0.000 0.427 620 A N 0.191 122.957 122.820 -0.091 0.000 1.902 620 A HA -0.117 4.204 4.320 0.001 0.000 0.217 620 A C 1.182 178.620 177.584 -0.244 0.000 1.181 620 A CA 1.207 53.136 52.037 -0.179 0.000 0.623 620 A CB -0.598 18.303 19.000 -0.164 0.000 0.818 620 A HN 0.342 nan 8.150 nan 0.000 0.443 621 Y N -1.208 119.086 120.300 -0.010 0.000 2.507 621 Y HA 0.226 4.776 4.550 0.001 0.000 0.254 621 Y C 0.230 176.134 175.900 0.006 0.000 1.171 621 Y CA -0.338 57.767 58.100 0.008 0.000 1.238 621 Y CB 0.645 39.120 38.460 0.026 0.000 1.148 621 Y HN 0.116 nan 8.280 nan 0.000 0.525 622 K N 1.248 121.707 120.400 0.099 0.000 3.150 622 K HA -0.247 4.073 4.320 0.001 0.000 0.267 622 K C -0.794 175.858 176.600 0.086 0.000 1.028 622 K CA 0.413 56.739 56.287 0.066 0.000 0.753 622 K CB -1.682 30.842 32.500 0.040 0.000 1.288 622 K HN 0.372 nan 8.250 nan 0.000 0.473 623 N N 0.917 119.678 118.700 0.102 0.000 2.546 623 N HA 0.199 4.940 4.740 0.001 0.000 0.238 623 N C -1.855 173.692 175.510 0.061 0.000 0.984 623 N CA -2.078 51.022 53.050 0.083 0.000 0.935 623 N CB 1.312 39.851 38.487 0.087 0.000 1.122 623 N HN -0.127 nan 8.380 nan 0.000 0.510 624 P HA -0.085 nan 4.420 nan 0.000 0.216 624 P C 0.873 178.199 177.300 0.044 0.000 1.150 624 P CA 1.356 64.481 63.100 0.041 0.000 0.837 624 P CB 0.495 32.216 31.700 0.034 0.000 0.786 625 K N -0.471 119.956 120.400 0.045 0.000 2.097 625 K HA -0.043 4.277 4.320 0.001 0.000 0.205 625 K C 2.137 178.774 176.600 0.061 0.000 1.050 625 K CA 1.374 57.691 56.287 0.049 0.000 0.938 625 K CB -0.592 31.935 32.500 0.045 0.000 0.718 625 K HN 0.046 nan 8.250 nan 0.000 0.442 626 A N 1.395 124.252 122.820 0.062 0.000 1.933 626 A HA -0.109 4.212 4.320 0.001 0.000 0.218 626 A C 2.064 179.692 177.584 0.073 0.000 1.175 626 A CA 1.144 53.225 52.037 0.073 0.000 0.628 626 A CB -0.513 18.528 19.000 0.069 0.000 0.814 626 A HN 0.146 nan 8.150 nan 0.000 0.444 627 L N -0.681 120.577 121.223 0.059 0.000 2.093 627 L HA -0.117 4.223 4.340 0.001 0.000 0.208 627 L C 2.449 179.350 176.870 0.051 0.000 1.085 627 L CA 0.832 55.700 54.840 0.047 0.000 0.755 627 L CB -0.522 41.559 42.059 0.038 0.000 0.904 627 L HN 0.239 nan 8.230 nan 0.000 0.435 628 V N 0.104 120.052 119.914 0.057 0.000 2.379 628 V HA -0.246 3.874 4.120 0.001 0.000 0.245 628 V C 2.413 178.568 176.094 0.102 0.000 1.044 628 V CA 1.345 63.681 62.300 0.060 0.000 1.036 628 V CB -0.268 31.583 31.823 0.048 0.000 0.664 628 V HN 0.332 nan 8.190 nan 0.000 0.453 629 L N 0.093 121.397 121.223 0.134 0.000 2.042 629 L HA -0.187 4.153 4.340 0.001 0.000 0.210 629 L C 2.713 179.745 176.870 0.271 0.000 1.076 629 L CA 1.648 56.655 54.840 0.280 0.000 0.749 629 L CB -0.736 41.483 42.059 0.267 0.000 0.893 629 L HN 0.380 nan 8.230 nan 0.000 0.432 630 A N -0.746 122.142 122.820 0.115 0.000 1.873 630 A HA -0.170 4.150 4.320 0.001 0.000 0.215 630 A C 2.495 180.058 177.584 -0.036 0.000 1.186 630 A CA 1.951 53.992 52.037 0.007 0.000 0.616 630 A CB -0.566 18.434 19.000 -0.001 0.000 0.823 630 A HN 0.373 nan 8.150 nan 0.000 0.442 631 S N 0.022 115.725 115.700 0.005 0.000 2.356 631 S HA -0.165 4.306 4.470 0.001 0.000 0.223 631 S C 2.215 176.800 174.600 -0.025 0.000 1.032 631 S CA 2.014 60.206 58.200 -0.012 0.000 1.005 631 S CB -0.787 62.419 63.200 0.009 0.000 0.867 631 S HN 0.883 nan 8.310 nan 0.000 0.449 632 T N 1.108 115.684 114.554 0.036 0.000 2.867 632 T HA 0.005 4.356 4.350 0.001 0.000 0.268 632 T C 1.736 176.357 174.700 -0.131 0.000 1.057 632 T CA 0.916 63.055 62.100 0.066 0.000 1.136 632 T CB -0.513 68.502 68.868 0.244 0.000 0.874 632 T HN 0.198 nan 8.240 nan 0.000 0.466 633 L N 1.927 122.915 121.223 -0.391 0.000 2.093 633 L HA -0.003 4.337 4.340 0.001 0.000 0.208 633 L C 1.899 178.474 176.870 -0.491 0.000 1.085 633 L CA 1.771 56.043 54.840 -0.946 0.000 0.755 633 L CB -0.984 40.435 42.059 -1.066 0.000 0.904 633 L HN 0.096 nan 8.230 nan 0.000 0.435 634 D N -0.659 119.574 120.400 -0.278 0.000 2.104 634 D HA -0.281 4.359 4.640 0.001 0.000 0.194 634 D C 2.018 178.225 176.300 -0.155 0.000 0.994 634 D CA 1.661 55.556 54.000 -0.176 0.000 0.830 634 D CB -0.071 40.664 40.800 -0.107 0.000 0.959 634 D HN 0.580 nan 8.370 nan 0.000 0.452 635 Q N 0.385 120.104 119.800 -0.134 0.000 2.084 635 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 635 Q C 2.072 177.991 176.000 -0.135 0.000 0.978 635 Q CA 1.603 57.341 55.803 -0.108 0.000 0.844 635 Q CB -0.056 28.643 28.738 -0.065 0.000 0.898 635 Q HN 0.188 nan 8.270 nan 0.000 0.426 636 A N 0.031 122.757 122.820 -0.156 0.000 1.908 636 A HA -0.184 4.136 4.320 0.001 0.000 0.218 636 A C 2.227 179.730 177.584 -0.136 0.000 1.181 636 A CA 1.981 53.953 52.037 -0.109 0.000 0.627 636 A CB -1.029 17.863 19.000 -0.180 0.000 0.818 636 A HN 0.508 nan 8.150 nan 0.000 0.445 637 T N -0.300 114.126 114.554 -0.212 0.000 2.821 637 T HA -0.023 4.327 4.350 0.001 0.000 0.267 637 T C 1.946 176.590 174.700 -0.094 0.000 1.046 637 T CA 1.336 63.352 62.100 -0.139 0.000 1.139 637 T CB -0.571 68.230 68.868 -0.110 0.000 0.871 637 T HN 0.592 nan 8.240 nan 0.000 0.454 638 G N 1.544 110.277 108.800 -0.112 0.000 2.422 638 G HA2 -0.189 3.772 3.960 0.001 0.000 0.218 638 G HA3 -0.189 3.772 3.960 0.001 0.000 0.218 638 G C 1.608 176.428 174.900 -0.133 0.000 1.146 638 G CA 0.531 45.571 45.100 -0.101 0.000 0.769 638 G HN 0.420 nan 8.290 nan 0.000 0.547 639 K N -0.217 120.063 120.400 -0.201 0.000 2.217 639 K HA 0.100 4.421 4.320 0.001 0.000 0.202 639 K C 2.356 178.851 176.600 -0.176 0.000 1.051 639 K CA 0.213 56.292 56.287 -0.347 0.000 0.952 639 K CB -0.089 31.892 32.500 -0.865 0.000 0.736 639 K HN 0.189 nan 8.250 nan 0.000 0.453 640 I N 1.542 122.104 120.570 -0.013 0.000 2.208 640 I HA -0.276 3.894 4.170 0.001 0.000 0.245 640 I C 2.192 178.263 176.117 -0.077 0.000 1.097 640 I CA 1.551 62.893 61.300 0.070 0.000 1.363 640 I CB -0.840 37.213 38.000 0.087 0.000 1.051 640 I HN 0.172 nan 8.210 nan 0.000 0.413 641 L N 0.037 121.155 121.223 -0.175 0.000 2.007 641 L HA -0.192 4.149 4.340 0.001 0.000 0.205 641 L C 2.279 178.981 176.870 -0.280 0.000 1.073 641 L CA 1.306 55.897 54.840 -0.416 0.000 0.744 641 L CB -0.750 41.023 42.059 -0.476 0.000 0.898 641 L HN 0.176 nan 8.230 nan 0.000 0.435 642 D N 0.163 120.508 120.400 -0.092 0.000 2.149 642 D HA -0.154 4.487 4.640 0.001 0.000 0.198 642 D C 1.378 177.682 176.300 0.007 0.000 0.990 642 D CA 1.186 55.210 54.000 0.039 0.000 0.839 642 D CB -0.325 40.476 40.800 0.001 0.000 0.948 642 D HN 0.286 nan 8.370 nan 0.000 0.460 643 N N 0.864 119.529 118.700 -0.059 0.000 2.268 643 N HA -0.050 4.690 4.740 0.001 0.000 0.204 643 N C -0.149 175.326 175.510 -0.057 0.000 1.124 643 N CA -0.075 52.949 53.050 -0.043 0.000 0.838 643 N CB -0.222 38.245 38.487 -0.033 0.000 0.994 643 N HN 0.051 nan 8.380 nan 0.000 0.489 644 N N 1.397 120.057 118.700 -0.067 0.000 2.667 644 N HA -0.177 4.564 4.740 0.001 0.000 0.263 644 N C -0.617 174.831 175.510 -0.104 0.000 1.038 644 N CA 0.448 53.450 53.050 -0.079 0.000 0.749 644 N CB -0.377 38.085 38.487 -0.043 0.000 0.892 644 N HN 0.134 nan 8.380 nan 0.000 0.546 645 K N -0.081 120.255 120.400 -0.106 0.000 2.498 645 K HA 0.215 4.535 4.320 0.001 0.000 0.207 645 K C 0.167 176.758 176.600 -0.016 0.000 1.033 645 K CA -0.128 56.070 56.287 -0.148 0.000 1.138 645 K CB 0.471 32.827 32.500 -0.241 0.000 0.860 645 K HN 0.160 nan 8.250 nan 0.000 0.490 646 S N 2.105 117.797 115.700 -0.014 0.000 2.652 646 S HA 0.335 4.806 4.470 0.001 0.000 0.270 646 S C -2.483 172.127 174.600 0.017 0.000 1.243 646 S CA -1.055 57.153 58.200 0.013 0.000 0.999 646 S CB 0.748 63.927 63.200 -0.035 0.000 0.973 646 S HN 0.012 nan 8.310 nan 0.000 0.544 647 P HA 0.023 nan 4.420 nan 0.000 0.260 647 P C -0.283 177.068 177.300 0.085 0.000 1.172 647 P CA 0.223 63.342 63.100 0.031 0.000 0.760 647 P CB 0.249 31.936 31.700 -0.021 0.000 0.773 648 A N 4.709 127.619 122.820 0.151 0.000 2.206 648 A HA -0.067 4.254 4.320 0.001 0.000 0.211 648 A C 0.743 178.399 177.584 0.119 0.000 1.158 648 A CA 0.272 52.381 52.037 0.121 0.000 0.761 648 A CB -0.720 18.347 19.000 0.111 0.000 0.801 648 A HN 0.604 nan 8.150 nan 0.000 0.473 649 R N -1.668 118.970 120.500 0.230 0.000 3.209 649 R HA -0.158 4.183 4.340 0.001 0.000 0.252 649 R C -0.711 175.502 176.300 -0.144 0.000 0.958 649 R CA 1.025 57.191 56.100 0.109 0.000 0.651 649 R CB -1.735 28.593 30.300 0.047 0.000 1.142 649 R HN 0.388 nan 8.270 nan 0.000 0.441 650 K N -0.096 120.024 120.400 -0.465 0.000 2.560 650 K HA 0.149 4.470 4.320 0.001 0.000 0.276 650 K C -0.906 175.314 176.600 -0.633 0.000 1.025 650 K CA -0.411 55.583 56.287 -0.489 0.000 0.974 650 K CB 1.451 33.841 32.500 -0.183 0.000 1.347 650 K HN 0.050 nan 8.250 nan 0.000 0.447 651 V N 4.627 124.149 119.914 -0.654 0.000 2.681 651 V HA 0.343 4.463 4.120 0.001 0.000 0.306 651 V C 1.223 177.264 176.094 -0.089 0.000 1.077 651 V CA 2.873 64.984 62.300 -0.315 0.000 1.224 651 V CB 0.106 31.829 31.823 -0.166 0.000 0.879 651 V HN 1.181 nan 8.190 nan 0.000 0.494 652 G N 4.359 113.189 108.800 0.050 0.000 2.424 652 G HA2 -0.177 3.783 3.960 0.001 0.000 0.207 652 G HA3 -0.177 3.783 3.960 0.001 0.000 0.207 652 G C 0.188 175.144 174.900 0.093 0.000 1.061 652 G CA 0.237 45.369 45.100 0.054 0.000 0.657 652 G HN 0.769 nan 8.290 nan 0.000 0.508 653 E N 0.981 121.252 120.200 0.117 0.000 2.322 653 E HA 0.581 4.932 4.350 0.001 0.000 0.257 653 E C 1.033 177.776 176.600 0.239 0.000 1.155 653 E CA -0.343 56.144 56.400 0.145 0.000 0.936 653 E CB 1.150 30.916 29.700 0.110 0.000 1.130 653 E HN 0.689 nan 8.360 nan 0.000 0.465 654 I N -0.416 120.263 120.570 0.182 0.000 2.752 654 I HA 0.079 4.250 4.170 0.001 0.000 0.287 654 I C 0.069 176.255 176.117 0.115 0.000 1.188 654 I CA -0.354 61.039 61.300 0.156 0.000 1.427 654 I CB 0.281 38.380 38.000 0.166 0.000 1.365 654 I HN 0.463 nan 8.210 nan 0.000 0.585 655 D N 4.082 124.434 120.400 -0.080 0.000 2.668 655 D HA 0.077 4.718 4.640 0.001 0.000 0.249 655 D C 0.662 176.819 176.300 -0.238 0.000 1.150 655 D CA -0.536 53.211 54.000 -0.421 0.000 1.090 655 D CB 0.039 40.192 40.800 -1.078 0.000 1.244 655 D HN 0.687 nan 8.370 nan 0.000 0.636 656 N N -0.218 118.305 118.700 -0.295 0.000 2.091 656 N HA -0.224 4.517 4.740 0.001 0.000 0.193 656 N C 1.637 176.895 175.510 -0.419 0.000 1.021 656 N CA 1.225 54.111 53.050 -0.273 0.000 0.862 656 N CB 0.024 38.387 38.487 -0.207 0.000 1.018 656 N HN 0.319 nan 8.380 nan 0.000 0.429 657 R N -0.266 120.082 120.500 -0.255 0.000 2.092 657 R HA -0.034 4.307 4.340 0.001 0.000 0.231 657 R C 2.455 178.783 176.300 0.046 0.000 1.119 657 R CA 1.206 57.248 56.100 -0.097 0.000 0.970 657 R CB -0.528 29.788 30.300 0.027 0.000 0.864 657 R HN 0.273 nan 8.270 nan 0.000 0.440 658 G N 0.558 109.381 108.800 0.040 0.000 2.418 658 G HA2 -0.302 3.658 3.960 0.001 0.000 0.217 658 G HA3 -0.302 3.658 3.960 0.001 0.000 0.217 658 G C 1.497 176.560 174.900 0.271 0.000 1.158 658 G CA 0.994 46.188 45.100 0.156 0.000 0.771 658 G HN 0.454 nan 8.290 nan 0.000 0.545 659 S N 0.075 115.887 115.700 0.186 0.000 2.382 659 S HA -0.172 4.298 4.470 0.001 0.000 0.228 659 S C 1.950 176.755 174.600 0.343 0.000 1.027 659 S CA 1.639 59.999 58.200 0.266 0.000 0.991 659 S CB -0.847 62.486 63.200 0.223 0.000 0.823 659 S HN 0.676 nan 8.310 nan 0.000 0.469 660 H N -0.559 118.663 119.070 0.253 0.000 2.389 660 H HA 0.026 4.582 4.556 0.001 0.000 0.299 660 H C 1.947 177.340 175.328 0.109 0.000 1.081 660 H CA 1.264 57.446 56.048 0.223 0.000 1.345 660 H CB -0.227 29.715 29.762 0.301 0.000 1.393 660 H HN 0.538 nan 8.280 nan 0.000 0.520 661 F N 1.089 121.062 119.950 0.039 0.000 2.102 661 F HA -0.264 4.263 4.527 0.001 0.000 0.298 661 F C 1.714 177.228 175.800 -0.477 0.000 1.105 661 F CA 1.310 59.029 58.000 -0.468 0.000 1.239 661 F CB -0.765 37.764 39.000 -0.785 0.000 0.991 661 F HN 0.045 nan 8.300 nan 0.000 0.474 662 Y N -0.240 119.703 120.300 -0.595 0.000 2.224 662 Y HA -0.199 4.352 4.550 0.001 0.000 0.289 662 Y C 2.309 177.746 175.900 -0.771 0.000 1.146 662 Y CA 1.423 58.993 58.100 -0.883 0.000 1.182 662 Y CB -0.618 37.532 38.460 -0.518 0.000 0.983 662 Y HN 0.233 nan 8.280 nan 0.000 0.524 663 L N 0.011 121.045 121.223 -0.315 0.000 2.017 663 L HA -0.176 4.164 4.340 0.001 0.000 0.208 663 L C 2.417 179.136 176.870 -0.251 0.000 1.073 663 L CA 2.009 56.637 54.840 -0.353 0.000 0.745 663 L CB -0.941 40.732 42.059 -0.643 0.000 0.894 663 L HN 0.131 nan 8.230 nan 0.000 0.432 664 A N -0.666 122.012 122.820 -0.237 0.000 1.902 664 A HA -0.204 4.117 4.320 0.001 0.000 0.217 664 A C 2.236 179.807 177.584 -0.022 0.000 1.181 664 A CA 1.916 53.908 52.037 -0.076 0.000 0.623 664 A CB -1.049 18.081 19.000 0.217 0.000 0.818 664 A HN 0.500 nan 8.150 nan 0.000 0.443 665 L N -0.952 119.991 121.223 -0.468 0.000 1.970 665 L HA -0.186 4.154 4.340 0.001 0.000 0.212 665 L C 2.384 179.200 176.870 -0.090 0.000 1.071 665 L CA 2.114 56.675 54.840 -0.464 0.000 0.751 665 L CB -0.922 40.511 42.059 -1.043 0.000 0.889 665 L HN 0.543 nan 8.230 nan 0.000 0.432 666 Y N -2.856 117.401 120.300 -0.072 0.000 2.293 666 Y HA -0.286 4.265 4.550 0.001 0.000 0.291 666 Y C 2.316 178.272 175.900 0.094 0.000 1.137 666 Y CA 0.579 58.679 58.100 0.000 0.000 1.202 666 Y CB -0.449 37.986 38.460 -0.041 0.000 0.990 666 Y HN 0.397 nan 8.280 nan 0.000 0.537 667 W N 1.063 122.376 121.300 0.022 0.000 2.379 667 W HA -0.133 4.527 4.660 0.000 0.000 0.307 667 W C 2.427 178.999 176.519 0.089 0.000 1.200 667 W CA 1.523 58.857 57.345 -0.018 0.000 1.297 667 W CB -0.807 28.522 29.460 -0.219 0.000 1.140 667 W HN -0.017 nan 8.180 nan 0.000 0.507 668 A N 0.113 123.165 122.820 0.387 0.000 1.930 668 A HA -0.231 4.089 4.320 0.001 0.000 0.217 668 A C 1.937 179.614 177.584 0.155 0.000 1.175 668 A CA 1.799 53.969 52.037 0.221 0.000 0.627 668 A CB -0.765 18.424 19.000 0.315 0.000 0.815 668 A HN 0.494 nan 8.150 nan 0.000 0.443 669 Q N -0.660 119.244 119.800 0.173 0.000 2.079 669 Q HA -0.085 4.255 4.340 0.001 0.000 0.200 669 Q C 2.424 178.492 176.000 0.113 0.000 0.974 669 Q CA 1.314 57.201 55.803 0.140 0.000 0.840 669 Q CB -0.361 28.474 28.738 0.162 0.000 0.898 669 Q HN 0.682 nan 8.270 nan 0.000 0.430 670 A N 0.818 123.716 122.820 0.130 0.000 1.930 670 A HA -0.130 4.191 4.320 0.001 0.000 0.217 670 A C 2.046 179.670 177.584 0.067 0.000 1.175 670 A CA 0.980 53.075 52.037 0.097 0.000 0.627 670 A CB -0.569 18.502 19.000 0.119 0.000 0.815 670 A HN 0.273 nan 8.150 nan 0.000 0.443 671 L N -0.910 120.330 121.223 0.027 0.000 2.141 671 L HA -0.137 4.204 4.340 0.001 0.000 0.209 671 L C 2.896 179.779 176.870 0.021 0.000 1.094 671 L CA 0.918 55.712 54.840 -0.076 0.000 0.763 671 L CB -0.301 41.461 42.059 -0.495 0.000 0.908 671 L HN 0.430 nan 8.230 nan 0.000 0.437 672 A N -0.667 122.195 122.820 0.070 0.000 2.119 672 A HA 0.130 4.451 4.320 0.001 0.000 0.216 672 A C 2.241 179.862 177.584 0.061 0.000 1.152 672 A CA 1.228 53.319 52.037 0.090 0.000 0.708 672 A CB -0.293 18.767 19.000 0.100 0.000 0.805 672 A HN 0.361 nan 8.150 nan 0.000 0.460 673 A N -0.448 122.404 122.820 0.053 0.000 2.197 673 A HA 0.320 4.640 4.320 0.001 0.000 0.210 673 A C 0.982 178.586 177.584 0.033 0.000 1.180 673 A CA 0.387 52.450 52.037 0.042 0.000 0.846 673 A CB -0.154 18.870 19.000 0.041 0.000 0.884 673 A HN 0.597 nan 8.150 nan 0.000 0.487 674 Q N 0.135 119.955 119.800 0.034 0.000 2.373 674 Q HA 0.390 4.730 4.340 0.001 0.000 0.255 674 Q C 0.133 176.149 176.000 0.026 0.000 0.980 674 Q CA 0.795 56.615 55.803 0.028 0.000 0.882 674 Q CB -0.181 28.574 28.738 0.029 0.000 1.249 674 Q HN 0.201 nan 8.270 nan 0.000 0.438 675 T N -1.886 112.681 114.554 0.022 0.000 3.269 675 T HA 0.194 4.544 4.350 0.001 0.000 0.269 675 T C 0.084 174.796 174.700 0.019 0.000 0.993 675 T CA -0.353 61.759 62.100 0.020 0.000 0.909 675 T CB -0.087 68.791 68.868 0.017 0.000 1.115 675 T HN 0.675 nan 8.240 nan 0.000 0.543 676 E N 0.783 120.996 120.200 0.022 0.000 2.330 676 E HA 0.114 4.465 4.350 0.001 0.000 0.200 676 E C 0.097 176.711 176.600 0.023 0.000 0.922 676 E CA 0.079 56.492 56.400 0.021 0.000 0.935 676 E CB 0.387 30.100 29.700 0.022 0.000 0.917 676 E HN 0.512 nan 8.360 nan 0.000 0.491 677 D N 0.909 121.325 120.400 0.027 0.000 2.473 677 D HA 0.165 4.806 4.640 0.001 0.000 0.253 677 D C 0.358 176.677 176.300 0.032 0.000 1.233 677 D CA -0.228 53.789 54.000 0.029 0.000 0.908 677 D CB 1.393 42.214 40.800 0.035 0.000 1.170 677 D HN -0.191 nan 8.370 nan 0.000 0.558 678 K N 1.767 122.182 120.400 0.025 0.000 2.097 678 K HA -0.115 4.206 4.320 0.001 0.000 0.206 678 K C 1.441 178.056 176.600 0.024 0.000 1.049 678 K CA 1.026 57.327 56.287 0.023 0.000 0.933 678 K CB 0.451 32.960 32.500 0.015 0.000 0.717 678 K HN 0.509 nan 8.250 nan 0.000 0.442 679 E N 0.841 121.055 120.200 0.023 0.000 2.077 679 E HA -0.154 4.196 4.350 0.001 0.000 0.193 679 E C 2.068 178.691 176.600 0.039 0.000 0.989 679 E CA 0.875 57.285 56.400 0.017 0.000 0.800 679 E CB -0.061 29.646 29.700 0.011 0.000 0.746 679 E HN 0.249 nan 8.360 nan 0.000 0.452 680 L N 0.807 122.074 121.223 0.075 0.000 2.109 680 L HA -0.188 4.152 4.340 0.001 0.000 0.207 680 L C 2.805 179.791 176.870 0.193 0.000 1.086 680 L CA 0.997 55.936 54.840 0.165 0.000 0.760 680 L CB -0.303 41.829 42.059 0.122 0.000 0.910 680 L HN 0.182 nan 8.230 nan 0.000 0.437 681 Q N 0.189 120.050 119.800 0.101 0.000 2.050 681 Q HA -0.241 4.099 4.340 0.001 0.000 0.202 681 Q C 2.268 178.311 176.000 0.072 0.000 0.980 681 Q CA 1.956 57.811 55.803 0.087 0.000 0.840 681 Q CB -0.058 28.710 28.738 0.051 0.000 0.898 681 Q HN 0.508 nan 8.270 nan 0.000 0.424 682 A N 0.646 123.487 122.820 0.035 0.000 1.873 682 A HA -0.255 4.066 4.320 0.001 0.000 0.215 682 A C 2.014 179.570 177.584 -0.045 0.000 1.186 682 A CA 1.612 53.648 52.037 -0.003 0.000 0.616 682 A CB -0.808 18.182 19.000 -0.016 0.000 0.823 682 A HN 0.611 nan 8.150 nan 0.000 0.442 683 Q N -1.476 118.280 119.800 -0.074 0.000 2.096 683 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 683 Q C 1.308 177.060 176.000 -0.413 0.000 0.982 683 Q CA 1.868 57.521 55.803 -0.251 0.000 0.850 683 Q CB -0.183 28.366 28.738 -0.316 0.000 0.901 683 Q HN 0.654 nan 8.270 nan 0.000 0.422 684 F N -0.431 119.432 119.950 -0.145 0.000 2.797 684 F HA 0.064 4.591 4.527 0.001 0.000 0.302 684 F C 2.123 177.865 175.800 -0.096 0.000 1.130 684 F CA 0.548 58.448 58.000 -0.166 0.000 1.387 684 F CB 0.183 39.066 39.000 -0.195 0.000 1.107 684 F HN 0.036 nan 8.300 nan 0.000 0.577 685 T N -0.543 114.035 114.554 0.039 0.000 2.708 685 T HA -0.146 4.205 4.350 0.001 0.000 0.266 685 T C 2.444 177.147 174.700 0.004 0.000 1.037 685 T CA 1.628 63.746 62.100 0.031 0.000 1.146 685 T CB -0.732 68.143 68.868 0.012 0.000 0.865 685 T HN 0.448 nan 8.240 nan 0.000 0.435 686 G N 1.520 110.293 108.800 -0.045 0.000 2.408 686 G HA2 -0.101 3.860 3.960 0.001 0.000 0.217 686 G HA3 -0.101 3.860 3.960 0.001 0.000 0.217 686 G C 1.458 176.332 174.900 -0.043 0.000 1.150 686 G CA 0.279 45.349 45.100 -0.049 0.000 0.776 686 G HN 0.360 nan 8.290 nan 0.000 0.542 687 I N 2.000 122.520 120.570 -0.083 0.000 2.179 687 I HA -0.124 4.047 4.170 0.001 0.000 0.242 687 I C 3.262 179.410 176.117 0.052 0.000 1.088 687 I CA 1.217 62.484 61.300 -0.054 0.000 1.357 687 I CB -1.418 36.483 38.000 -0.166 0.000 1.051 687 I HN 0.254 nan 8.210 nan 0.000 0.409 688 A N 0.845 123.715 122.820 0.083 0.000 1.908 688 A HA -0.270 4.051 4.320 0.001 0.000 0.218 688 A C 2.479 180.110 177.584 0.077 0.000 1.181 688 A CA 2.130 54.228 52.037 0.102 0.000 0.627 688 A CB -0.638 18.427 19.000 0.110 0.000 0.818 688 A HN 0.424 nan 8.150 nan 0.000 0.445 689 K N -0.362 120.071 120.400 0.055 0.000 2.026 689 K HA -0.103 4.217 4.320 0.001 0.000 0.208 689 K C 2.188 178.819 176.600 0.052 0.000 1.048 689 K CA 1.340 57.655 56.287 0.047 0.000 0.929 689 K CB -0.381 32.136 32.500 0.029 0.000 0.713 689 K HN 0.351 nan 8.250 nan 0.000 0.439 690 A N 1.417 124.266 122.820 0.049 0.000 1.883 690 A HA -0.154 4.166 4.320 0.001 0.000 0.217 690 A C 2.167 179.808 177.584 0.095 0.000 1.186 690 A CA 1.572 53.645 52.037 0.060 0.000 0.624 690 A CB -0.746 18.286 19.000 0.053 0.000 0.822 690 A HN 0.344 nan 8.150 nan 0.000 0.444 691 L N -0.851 120.449 121.223 0.129 0.000 2.046 691 L HA -0.166 4.174 4.340 0.001 0.000 0.208 691 L C 2.819 179.787 176.870 0.163 0.000 1.077 691 L CA 1.788 56.741 54.840 0.188 0.000 0.747 691 L CB -1.020 41.128 42.059 0.148 0.000 0.896 691 L HN 0.367 nan 8.230 nan 0.000 0.432 692 T N -0.923 113.693 114.554 0.104 0.000 2.708 692 T HA -0.166 4.184 4.350 0.001 0.000 0.266 692 T C 1.429 176.180 174.700 0.085 0.000 1.037 692 T CA 1.512 63.669 62.100 0.095 0.000 1.146 692 T CB -0.248 68.669 68.868 0.082 0.000 0.865 692 T HN 0.305 nan 8.240 nan 0.000 0.435 693 D N 1.295 121.735 120.400 0.065 0.000 2.264 693 D HA -0.022 4.619 4.640 0.001 0.000 0.208 693 D C 1.434 177.753 176.300 0.031 0.000 0.966 693 D CA 0.737 54.764 54.000 0.045 0.000 0.864 693 D CB -0.235 40.586 40.800 0.035 0.000 0.933 693 D HN 0.330 nan 8.370 nan 0.000 0.499 694 N N 0.748 119.468 118.700 0.032 0.000 2.238 694 N HA -0.022 4.719 4.740 0.001 0.000 0.222 694 N C 1.305 176.759 175.510 -0.093 0.000 1.133 694 N CA -0.061 52.977 53.050 -0.019 0.000 0.854 694 N CB 1.000 39.478 38.487 -0.016 0.000 1.041 694 N HN 0.371 nan 8.380 nan 0.000 0.510 695 E N 1.220 121.412 120.200 -0.013 0.000 2.021 695 E HA -0.194 4.157 4.350 0.001 0.000 0.200 695 E C 0.981 177.461 176.600 -0.200 0.000 1.015 695 E CA 1.839 58.209 56.400 -0.051 0.000 0.824 695 E CB 0.194 29.972 29.700 0.129 0.000 0.762 695 E HN 0.106 nan 8.360 nan 0.000 0.454 696 T N 0.885 115.396 114.554 -0.072 0.000 2.684 696 T HA -0.213 4.137 4.350 0.001 0.000 0.267 696 T C 1.845 176.476 174.700 -0.116 0.000 1.036 696 T CA 1.742 63.804 62.100 -0.063 0.000 1.148 696 T CB -0.273 68.586 68.868 -0.014 0.000 0.863 696 T HN 0.201 nan 8.240 nan 0.000 0.436 697 K N 0.580 120.909 120.400 -0.118 0.000 2.026 697 K HA -0.044 4.277 4.320 0.001 0.000 0.208 697 K C 2.264 178.753 176.600 -0.185 0.000 1.048 697 K CA 1.269 57.487 56.287 -0.115 0.000 0.929 697 K CB -0.289 32.162 32.500 -0.082 0.000 0.713 697 K HN 0.316 nan 8.250 nan 0.000 0.439 698 I N 0.512 120.883 120.570 -0.333 0.000 2.202 698 I HA -0.260 3.911 4.170 0.001 0.000 0.242 698 I C 2.188 178.020 176.117 -0.476 0.000 1.091 698 I CA 0.887 61.894 61.300 -0.489 0.000 1.368 698 I CB -0.168 37.248 38.000 -0.973 0.000 1.058 698 I HN -0.001 nan 8.210 nan 0.000 0.410 699 V N 1.145 120.748 119.914 -0.519 0.000 2.392 699 V HA -0.247 3.874 4.120 0.001 0.000 0.249 699 V C 2.564 178.580 176.094 -0.130 0.000 1.059 699 V CA 2.201 64.333 62.300 -0.281 0.000 1.051 699 V CB -1.460 30.285 31.823 -0.129 0.000 0.658 699 V HN 0.597 nan 8.190 nan 0.000 0.455 700 G N -0.477 108.254 108.800 -0.116 0.000 2.421 700 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 700 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 700 G C 1.448 176.319 174.900 -0.049 0.000 1.171 700 G CA 0.804 45.869 45.100 -0.058 0.000 0.775 700 G HN 0.581 nan 8.290 nan 0.000 0.543 701 E N 0.102 120.259 120.200 -0.071 0.000 2.110 701 E HA -0.022 4.328 4.350 0.001 0.000 0.193 701 E C 2.547 179.136 176.600 -0.018 0.000 0.988 701 E CA 0.431 56.807 56.400 -0.039 0.000 0.804 701 E CB -0.165 29.512 29.700 -0.039 0.000 0.745 701 E HN 0.389 nan 8.360 nan 0.000 0.458 702 L N 0.507 121.707 121.223 -0.038 0.000 2.093 702 L HA -0.111 4.229 4.340 0.001 0.000 0.208 702 L C 2.579 179.465 176.870 0.025 0.000 1.085 702 L CA 0.836 55.677 54.840 0.002 0.000 0.755 702 L CB -0.409 41.639 42.059 -0.018 0.000 0.904 702 L HN 0.134 nan 8.230 nan 0.000 0.435 703 A N 0.110 122.941 122.820 0.018 0.000 1.969 703 A HA -0.100 4.220 4.320 0.001 0.000 0.218 703 A C 2.475 180.084 177.584 0.042 0.000 1.169 703 A CA 1.443 53.508 52.037 0.047 0.000 0.635 703 A CB -0.563 18.462 19.000 0.040 0.000 0.810 703 A HN 0.379 nan 8.150 nan 0.000 0.445 704 A N -0.386 122.447 122.820 0.021 0.000 2.125 704 A HA 0.247 4.568 4.320 0.001 0.000 0.219 704 A C 2.191 179.787 177.584 0.020 0.000 1.156 704 A CA 1.579 53.626 52.037 0.016 0.000 0.671 704 A CB -0.616 18.387 19.000 0.005 0.000 0.794 704 A HN 0.993 nan 8.150 nan 0.000 0.459 705 A N -1.027 121.812 122.820 0.031 0.000 2.169 705 A HA 0.158 4.479 4.320 0.001 0.000 0.212 705 A C 1.141 178.744 177.584 0.032 0.000 1.153 705 A CA 0.162 52.218 52.037 0.031 0.000 0.756 705 A CB -0.084 18.947 19.000 0.052 0.000 0.813 705 A HN 0.672 nan 8.150 nan 0.000 0.471 706 Q N -2.246 117.589 119.800 0.058 0.000 2.199 706 Q HA 0.485 4.826 4.340 0.001 0.000 0.232 706 Q C 0.844 176.870 176.000 0.044 0.000 0.969 706 Q CA 0.010 55.864 55.803 0.085 0.000 0.925 706 Q CB 0.814 29.655 28.738 0.172 0.000 1.198 706 Q HN 0.635 nan 8.270 nan 0.000 0.494 707 G N 0.645 109.468 108.800 0.038 0.000 2.143 707 G HA2 -0.250 3.711 3.960 0.001 0.000 0.249 707 G HA3 -0.250 3.711 3.960 0.001 0.000 0.249 707 G C -0.256 174.635 174.900 -0.016 0.000 0.981 707 G CA 0.082 45.186 45.100 0.007 0.000 0.665 707 G HN 0.359 nan 8.290 nan 0.000 0.528 708 K N -0.283 120.096 120.400 -0.034 0.000 2.508 708 K HA 0.490 4.811 4.320 0.001 0.000 0.260 708 K C -3.011 173.532 176.600 -0.094 0.000 0.949 708 K CA -2.154 54.100 56.287 -0.054 0.000 0.834 708 K CB 2.857 35.326 32.500 -0.050 0.000 1.365 708 K HN -0.078 nan 8.250 nan 0.000 0.437 709 P HA 0.140 nan 4.420 nan 0.000 0.272 709 P C -1.060 176.140 177.300 -0.167 0.000 1.223 709 P CA -0.485 62.544 63.100 -0.118 0.000 0.784 709 P CB 0.666 32.321 31.700 -0.075 0.000 0.923 710 V N 2.126 121.897 119.914 -0.239 0.000 2.487 710 V HA 0.330 4.450 4.120 0.001 0.000 0.298 710 V C -0.471 175.526 176.094 -0.162 0.000 1.028 710 V CA -0.301 61.834 62.300 -0.275 0.000 0.860 710 V CB 1.754 33.212 31.823 -0.607 0.000 0.991 710 V HN 0.492 nan 8.190 nan 0.000 0.427 711 D N 4.213 124.554 120.400 -0.099 0.000 2.414 711 D HA 0.422 5.063 4.640 0.001 0.000 0.232 711 D C 0.533 176.813 176.300 -0.034 0.000 1.070 711 D CA -0.464 53.506 54.000 -0.049 0.000 0.839 711 D CB 1.219 41.999 40.800 -0.033 0.000 1.079 711 D HN 0.551 nan 8.370 nan 0.000 0.521 712 I N 1.116 121.676 120.570 -0.016 0.000 3.974 712 I HA 0.518 4.688 4.170 0.001 0.000 0.334 712 I C 0.703 176.815 176.117 -0.008 0.000 1.437 712 I CA -0.597 60.690 61.300 -0.022 0.000 1.113 712 I CB 0.102 38.084 38.000 -0.029 0.000 1.063 712 I HN 0.409 nan 8.210 nan 0.000 0.400 713 A N 1.167 123.994 122.820 0.011 0.000 2.610 713 A HA 0.145 4.465 4.320 0.001 0.000 0.299 713 A C 0.698 178.316 177.584 0.056 0.000 1.487 713 A CA 0.759 52.815 52.037 0.033 0.000 0.743 713 A CB -1.982 17.036 19.000 0.030 0.000 1.070 713 A HN 1.601 nan 8.150 nan 0.000 0.439 714 G N -3.005 105.837 108.800 0.069 0.000 2.341 714 G HA2 0.502 4.463 3.960 0.001 0.000 0.293 714 G HA3 0.502 4.463 3.960 0.001 0.000 0.293 714 G C -0.492 174.481 174.900 0.123 0.000 1.298 714 G CA 0.224 45.389 45.100 0.108 0.000 0.868 714 G HN 1.482 nan 8.290 nan 0.000 0.540 715 Y N -1.752 118.535 120.300 -0.022 0.000 3.147 715 Y HA 0.333 4.883 4.550 0.001 0.000 0.219 715 Y C 2.219 177.992 175.900 -0.211 0.000 1.021 715 Y CA 0.640 58.643 58.100 -0.161 0.000 1.440 715 Y CB -0.013 38.281 38.460 -0.276 0.000 1.472 715 Y HN 0.434 nan 8.280 nan 0.000 0.408 716 Y N -0.579 119.853 120.300 0.221 0.000 2.475 716 Y HA 0.107 4.658 4.550 0.001 0.000 0.289 716 Y C 0.931 176.902 175.900 0.117 0.000 1.121 716 Y CA 1.512 59.686 58.100 0.123 0.000 1.257 716 Y CB 0.367 38.917 38.460 0.150 0.000 1.026 716 Y HN 0.157 nan 8.280 nan 0.000 0.555 717 H N 0.667 119.816 119.070 0.131 0.000 2.600 717 H HA 0.194 4.751 4.556 0.001 0.000 0.224 717 H C -3.001 172.365 175.328 0.063 0.000 1.413 717 H CA -1.854 54.235 56.048 0.068 0.000 1.401 717 H CB 0.980 30.755 29.762 0.021 0.000 1.772 717 H HN 0.012 nan 8.280 nan 0.000 0.528 718 P HA -0.024 nan 4.420 nan 0.000 0.273 718 P C 0.149 177.387 177.300 -0.104 0.000 1.250 718 P CA -0.399 62.668 63.100 -0.055 0.000 0.793 718 P CB 1.228 32.876 31.700 -0.087 0.000 1.011 719 N N 0.657 119.323 118.700 -0.056 0.000 2.431 719 N HA -0.019 4.722 4.740 0.001 0.000 0.265 719 N C 1.299 176.769 175.510 -0.066 0.000 1.184 719 N CA 0.356 53.381 53.050 -0.042 0.000 0.943 719 N CB 0.420 38.900 38.487 -0.012 0.000 1.080 719 N HN 0.381 nan 8.380 nan 0.000 0.477 720 T N 0.739 115.276 114.554 -0.028 0.000 2.881 720 T HA -0.130 4.220 4.350 0.001 0.000 0.270 720 T C 0.962 175.679 174.700 0.028 0.000 1.068 720 T CA 1.095 63.223 62.100 0.047 0.000 1.131 720 T CB 0.067 69.019 68.868 0.139 0.000 0.871 720 T HN 0.398 nan 8.240 nan 0.000 0.479 721 D N 1.296 121.702 120.400 0.011 0.000 2.123 721 D HA 0.082 4.723 4.640 0.001 0.000 0.200 721 D C 2.212 178.497 176.300 -0.026 0.000 0.976 721 D CA 0.756 54.762 54.000 0.010 0.000 0.831 721 D CB -0.237 40.571 40.800 0.014 0.000 0.974 721 D HN 0.379 nan 8.370 nan 0.000 0.469 722 L N 0.736 121.932 121.223 -0.045 0.000 2.093 722 L HA -0.126 4.214 4.340 0.001 0.000 0.208 722 L C 2.492 179.301 176.870 -0.102 0.000 1.085 722 L CA 1.046 55.854 54.840 -0.054 0.000 0.755 722 L CB -0.594 41.440 42.059 -0.042 0.000 0.904 722 L HN 0.016 nan 8.230 nan 0.000 0.435 723 T N -1.369 113.057 114.554 -0.213 0.000 2.737 723 T HA -0.202 4.148 4.350 0.001 0.000 0.265 723 T C 2.147 176.587 174.700 -0.432 0.000 1.038 723 T CA 1.675 63.522 62.100 -0.422 0.000 1.144 723 T CB -0.191 68.162 68.868 -0.857 0.000 0.866 723 T HN 0.260 nan 8.240 nan 0.000 0.434 724 S N 0.616 116.125 115.700 -0.319 0.000 2.359 724 S HA -0.182 4.288 4.470 0.001 0.000 0.224 724 S C 2.093 176.699 174.600 0.010 0.000 1.035 724 S CA 1.577 59.777 58.200 -0.000 0.000 1.018 724 S CB -0.246 63.047 63.200 0.156 0.000 0.876 724 S HN 0.263 nan 8.310 nan 0.000 0.448 725 K N 1.235 121.630 120.400 -0.008 0.000 2.032 725 K HA 0.052 4.372 4.320 0.001 0.000 0.209 725 K C 2.244 178.862 176.600 0.029 0.000 1.048 725 K CA 1.508 57.801 56.287 0.011 0.000 0.927 725 K CB -0.789 31.711 32.500 0.000 0.000 0.712 725 K HN 0.418 nan 8.250 nan 0.000 0.441 726 A N -0.030 122.808 122.820 0.030 0.000 1.933 726 A HA -0.137 4.184 4.320 0.001 0.000 0.218 726 A C 1.864 179.549 177.584 0.168 0.000 1.175 726 A CA 1.518 53.618 52.037 0.105 0.000 0.628 726 A CB -0.314 18.785 19.000 0.164 0.000 0.814 726 A HN 0.178 nan 8.150 nan 0.000 0.444 727 M N -0.762 118.897 119.600 0.098 0.000 2.595 727 M HA 0.112 4.593 4.480 0.001 0.000 0.248 727 M C 0.264 176.632 176.300 0.113 0.000 1.119 727 M CA 0.744 56.096 55.300 0.087 0.000 1.079 727 M CB -0.501 32.123 32.600 0.041 0.000 1.472 727 M HN 0.261 nan 8.290 nan 0.000 0.501 728 R N 0.739 121.297 120.500 0.097 0.000 2.681 728 R HA 0.221 4.561 4.340 0.001 0.000 0.277 728 R C -1.887 174.457 176.300 0.074 0.000 1.563 728 R CA -0.766 55.388 56.100 0.089 0.000 1.673 728 R CB 0.631 30.963 30.300 0.053 0.000 1.258 728 R HN 0.001 nan 8.270 nan 0.000 0.650 729 P HA -0.016 nan 4.420 nan 0.000 0.249 729 P C 0.071 177.407 177.300 0.060 0.000 1.229 729 P CA 0.364 63.503 63.100 0.064 0.000 0.788 729 P CB 0.599 32.337 31.700 0.064 0.000 1.072 730 S N 0.004 115.759 115.700 0.092 0.000 2.404 730 S HA 0.515 4.985 4.470 0.001 0.000 0.309 730 S C 1.379 176.030 174.600 0.084 0.000 1.076 730 S CA -0.279 57.975 58.200 0.090 0.000 1.095 730 S CB 0.284 63.567 63.200 0.137 0.000 0.972 730 S HN 0.097 nan 8.310 nan 0.000 0.484 731 A N 4.531 127.378 122.820 0.046 0.000 1.972 731 A HA -0.019 4.302 4.320 0.001 0.000 0.219 731 A C 2.135 179.747 177.584 0.046 0.000 1.169 731 A CA 2.103 54.160 52.037 0.033 0.000 0.635 731 A CB -1.146 17.864 19.000 0.017 0.000 0.810 731 A HN 0.750 nan 8.150 nan 0.000 0.446 732 T N -0.735 113.851 114.554 0.053 0.000 2.777 732 T HA -0.085 4.266 4.350 0.001 0.000 0.266 732 T C 1.626 176.416 174.700 0.150 0.000 1.040 732 T CA 1.381 63.517 62.100 0.061 0.000 1.141 732 T CB -0.330 68.547 68.868 0.014 0.000 0.868 732 T HN 0.454 nan 8.240 nan 0.000 0.444 733 F N 3.283 123.216 119.950 -0.028 0.000 2.146 733 F HA -0.023 4.505 4.527 0.001 0.000 0.298 733 F C 1.922 177.750 175.800 0.046 0.000 1.096 733 F CA 0.686 58.698 58.000 0.021 0.000 1.275 733 F CB -0.882 38.129 39.000 0.018 0.000 1.008 733 F HN 0.055 nan 8.300 nan 0.000 0.480 734 N N 0.986 119.687 118.700 0.001 0.000 2.104 734 N HA -0.156 4.584 4.740 0.001 0.000 0.190 734 N C 2.046 177.525 175.510 -0.051 0.000 1.024 734 N CA 1.717 54.696 53.050 -0.119 0.000 0.853 734 N CB -0.953 37.493 38.487 -0.068 0.000 1.008 734 N HN 0.362 nan 8.380 nan 0.000 0.424 735 A N 0.894 123.717 122.820 0.006 0.000 1.969 735 A HA 0.102 4.423 4.320 0.001 0.000 0.218 735 A C 2.334 179.929 177.584 0.017 0.000 1.169 735 A CA 1.679 53.719 52.037 0.004 0.000 0.635 735 A CB -0.713 18.295 19.000 0.013 0.000 0.810 735 A HN 0.315 nan 8.150 nan 0.000 0.445 736 A N -0.365 122.501 122.820 0.076 0.000 1.972 736 A HA 0.012 4.333 4.320 0.001 0.000 0.219 736 A C 1.912 179.528 177.584 0.053 0.000 1.169 736 A CA 1.408 53.506 52.037 0.103 0.000 0.635 736 A CB -0.433 18.709 19.000 0.236 0.000 0.810 736 A HN 0.478 nan 8.150 nan 0.000 0.446 737 L N -1.246 119.988 121.223 0.018 0.000 2.607 737 L HA 0.123 4.463 4.340 0.001 0.000 0.228 737 L C 2.671 179.484 176.870 -0.096 0.000 1.123 737 L CA 0.395 55.207 54.840 -0.047 0.000 0.890 737 L CB -0.373 41.653 42.059 -0.055 0.000 1.103 737 L HN 0.394 nan 8.230 nan 0.000 0.468 738 A N 1.556 124.331 122.820 -0.075 0.000 1.917 738 A HA -0.150 4.171 4.320 0.001 0.000 0.219 738 A C -0.026 177.497 177.584 -0.101 0.000 1.182 738 A CA 1.698 53.688 52.037 -0.079 0.000 0.633 738 A CB -1.640 17.326 19.000 -0.057 0.000 0.819 738 A HN 0.286 nan 8.150 nan 0.000 0.448 739 P HA -0.091 nan 4.420 nan 0.000 0.221 739 P C 1.175 178.361 177.300 -0.190 0.000 1.145 739 P CA 0.702 63.715 63.100 -0.144 0.000 0.795 739 P CB -0.089 31.518 31.700 -0.156 0.000 0.775 740 L N -2.006 119.083 121.223 -0.222 0.000 2.313 740 L HA 0.027 4.367 4.340 0.001 0.000 0.214 740 L C 1.503 178.270 176.870 -0.172 0.000 1.119 740 L CA -0.106 54.577 54.840 -0.262 0.000 0.809 740 L CB -0.860 41.009 42.059 -0.317 0.000 0.933 740 L HN -0.056 nan 8.230 nan 0.000 0.449 741 A N 0.000 122.743 122.820 -0.128 0.000 2.254 741 A HA 0.000 4.320 4.320 0.001 0.000 0.244 741 A CA 0.000 51.981 52.037 -0.094 0.000 0.836 741 A CB 0.000 18.954 19.000 -0.076 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486