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 3hhd_1_B DATA FIRST_RESID 1 DATA SEQUENCE GEEVVIAGMS GKLPESENLQ EFWDNLIGGV DMVTDDDRRW KAGLYGLPRR DATA SEQUENCE SGKLKDLSRF DASFFGVHPK QAHTMDPQLR LLLEVTYEAI VDGGINPDSL DATA SEQUENCE RGTHTGVWVG VSGSETSEAL SRDPETLVGY SMVGCQRAMM ANRLSFFFDF DATA SEQUENCE RGPSIALDTA CSSSLMALQN AYQAIHSGQC PAAIVGGINV LLKPNTSVQF DATA SEQUENCE LRLGMLSPEG TCKAFDTAGN GYCRSEGVVA VLLTKKSLAR RVYATILNAG DATA SEQUENCE TNTDGFKEQG VTFPSGDIQE QLIRSLYQSA GVAPESFEYI EAHGTGTKVG DATA SEQUENCE DPQELNGITR ALCATRQEPL LIGSTKSNMG HPEPASGLAA LAKVLLSLEH DATA SEQUENCE GLWAPNLHFH SPNPEIPALL DGRLQVVDQP LPVRGGNVGI NSFGFGGSNV DATA SEQUENCE HIILRPNTQP PPAPAPHATL PRLLRASGRT PEAVQKLLEQ GLRHSQDLAF DATA SEQUENCE LSMLNDIAAV PATAMPFRGY AVLGGERGGP EVQQVPAGER PLWFICSGMG DATA SEQUENCE TQWRGMGLSL MRLDRFRDSI LRSDEAVKPF GLKVSQLLLS TDESTFDDIV DATA SEQUENCE HSFVSLTAIQ IGLIDLLSCM GLRPDGIVGH SLGEVACGYA DGCLSQEEAV DATA SEQUENCE LAAYWRGQCI KEAHLPPGAM AAVGLSWEEC KQRCPPGVVP ACHNSKDTVT DATA SEQUENCE ISGPQAPVFE FVEQLRKEGV FAKEVRTGGM AFHSYFMEAI APPLLQELKK DATA SEQUENCE VIREPKPRSA RWLSTSIPEA QWHSSLARTS SAEYNVNNLV SPVLFQEALW DATA SEQUENCE HVPEHAVVLE IAPHALLQAV LKRGLKPSCT IIPLMKKDHR DNLEFFLAGI DATA SEQUENCE GRLHLSGIDA NPNALFPPVE FPAPRGTPLI SPLIKWDHSL AWDVPAAEDF DATA SEQUENCE PN 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1 G C 0.000 174.719 174.900 -0.301 0.000 0.946 1 G CA 0.000 44.815 45.100 -0.476 0.000 0.502 2 E N 0.860 120.847 120.200 -0.355 0.000 2.343 2 E HA 0.434 4.784 4.350 0.001 0.000 0.269 2 E C 0.253 176.866 176.600 0.022 0.000 1.047 2 E CA -0.474 55.852 56.400 -0.125 0.000 0.874 2 E CB 0.911 30.540 29.700 -0.118 0.000 1.033 2 E HN 0.367 nan 8.360 nan 0.000 0.409 3 E N 2.303 122.533 120.200 0.050 0.000 2.289 3 E HA 0.286 4.636 4.350 0.001 0.000 0.278 3 E C -1.183 175.471 176.600 0.091 0.000 1.032 3 E CA -0.588 55.873 56.400 0.102 0.000 0.854 3 E CB 0.733 30.476 29.700 0.072 0.000 1.046 3 E HN 0.243 nan 8.360 nan 0.000 0.409 4 V N 6.060 126.060 119.914 0.143 0.000 2.398 4 V HA 0.359 4.480 4.120 0.001 0.000 0.286 4 V C -0.011 176.158 176.094 0.125 0.000 1.026 4 V CA -0.686 61.696 62.300 0.135 0.000 0.868 4 V CB 0.985 32.934 31.823 0.210 0.000 0.982 4 V HN 0.586 nan 8.190 nan 0.000 0.443 5 V N 3.010 122.975 119.914 0.085 0.000 2.960 5 V HA 0.668 4.789 4.120 0.001 0.000 0.315 5 V C -0.382 175.761 176.094 0.081 0.000 1.087 5 V CA -1.007 61.339 62.300 0.075 0.000 0.982 5 V CB 2.181 34.034 31.823 0.051 0.000 1.039 5 V HN 0.645 nan 8.190 nan 0.000 0.437 6 I N 3.006 123.638 120.570 0.103 0.000 2.301 6 I HA 0.494 4.665 4.170 0.001 0.000 0.292 6 I C 1.155 177.381 176.117 0.182 0.000 1.046 6 I CA 0.064 61.449 61.300 0.141 0.000 1.282 6 I CB 1.429 39.524 38.000 0.159 0.000 1.409 6 I HN 0.896 nan 8.210 nan 0.000 0.484 7 A N 5.071 127.969 122.820 0.129 0.000 2.169 7 A HA 0.594 4.915 4.320 0.001 0.000 0.210 7 A C 0.937 178.583 177.584 0.104 0.000 1.168 7 A CA 0.426 52.499 52.037 0.060 0.000 0.813 7 A CB 0.269 19.271 19.000 0.003 0.000 0.861 7 A HN 0.771 nan 8.150 nan 0.000 0.481 8 G N -0.681 108.265 108.800 0.245 0.000 2.632 8 G HA2 0.568 4.528 3.960 0.001 0.000 0.292 8 G HA3 0.568 4.528 3.960 0.001 0.000 0.292 8 G C -0.957 174.097 174.900 0.257 0.000 1.465 8 G CA -0.183 45.097 45.100 0.300 0.000 0.824 8 G HN 0.754 nan 8.290 nan 0.000 0.509 9 M N -0.719 119.017 119.600 0.227 0.000 2.578 9 M HA 0.887 5.367 4.480 0.001 0.000 0.276 9 M C -0.958 175.409 176.300 0.112 0.000 1.245 9 M CA -0.931 54.427 55.300 0.096 0.000 0.871 9 M CB 2.044 34.611 32.600 -0.055 0.000 1.722 9 M HN 0.911 nan 8.290 nan 0.000 0.473 10 S N -0.476 115.283 115.700 0.099 0.000 2.615 10 S HA 1.019 5.490 4.470 0.001 0.000 0.269 10 S C -1.190 173.459 174.600 0.083 0.000 1.161 10 S CA 0.149 58.422 58.200 0.122 0.000 0.817 10 S CB 2.280 65.589 63.200 0.182 0.000 1.131 10 S HN 1.581 nan 8.310 nan 0.000 0.467 11 G N 1.395 110.242 108.800 0.079 0.000 2.387 11 G HA2 0.500 4.460 3.960 0.001 0.000 0.294 11 G HA3 0.500 4.460 3.960 0.001 0.000 0.294 11 G C -2.458 172.451 174.900 0.016 0.000 1.509 11 G CA -0.722 44.389 45.100 0.019 0.000 0.806 11 G HN 0.611 nan 8.290 nan 0.000 0.546 12 K N 0.480 120.866 120.400 -0.023 0.000 2.463 12 K HA 0.658 4.978 4.320 0.001 0.000 0.255 12 K C -0.893 175.650 176.600 -0.095 0.000 0.942 12 K CA -0.515 55.760 56.287 -0.020 0.000 0.814 12 K CB 2.292 34.800 32.500 0.015 0.000 1.122 12 K HN 0.349 nan 8.250 nan 0.000 0.425 13 L N 2.585 123.728 121.223 -0.133 0.000 2.257 13 L HA 0.549 4.890 4.340 0.001 0.000 0.257 13 L C -2.454 174.383 176.870 -0.055 0.000 1.033 13 L CA -2.723 52.002 54.840 -0.193 0.000 0.835 13 L CB 1.900 43.621 42.059 -0.563 0.000 1.398 13 L HN 0.325 nan 8.230 nan 0.000 0.429 14 P HA 0.006 nan 4.420 nan 0.000 0.262 14 P C -0.553 176.785 177.300 0.064 0.000 1.182 14 P CA 0.494 63.609 63.100 0.026 0.000 0.761 14 P CB 0.257 31.981 31.700 0.040 0.000 0.795 15 E N -0.189 120.038 120.200 0.045 0.000 2.883 15 E HA -0.191 4.160 4.350 0.001 0.000 0.271 15 E C -0.683 175.968 176.600 0.085 0.000 1.049 15 E CA 1.217 57.650 56.400 0.056 0.000 0.817 15 E CB -2.258 27.473 29.700 0.052 0.000 1.407 15 E HN 0.407 nan 8.360 nan 0.000 0.434 16 S N -0.016 115.739 115.700 0.091 0.000 2.789 16 S HA 0.319 4.789 4.470 0.001 0.000 0.286 16 S C 0.675 175.331 174.600 0.093 0.000 1.153 16 S CA -0.726 57.548 58.200 0.124 0.000 1.084 16 S CB 1.956 65.280 63.200 0.207 0.000 1.036 16 S HN 0.062 nan 8.310 nan 0.000 0.484 17 E N 2.784 123.047 120.200 0.105 0.000 2.427 17 E HA 0.008 4.358 4.350 0.001 0.000 0.196 17 E C 0.365 177.046 176.600 0.134 0.000 1.028 17 E CA 0.905 57.372 56.400 0.112 0.000 0.864 17 E CB 0.156 29.930 29.700 0.122 0.000 0.813 17 E HN 0.792 nan 8.360 nan 0.000 0.514 18 N N -2.985 115.801 118.700 0.143 0.000 3.179 18 N HA 0.094 4.834 4.740 0.001 0.000 0.250 18 N C -0.063 175.561 175.510 0.190 0.000 1.507 18 N CA -0.605 52.541 53.050 0.159 0.000 0.883 18 N CB 0.016 38.608 38.487 0.174 0.000 1.435 18 N HN -0.123 nan 8.380 nan 0.000 0.532 19 L N -1.139 120.204 121.223 0.200 0.000 2.275 19 L HA -0.029 4.311 4.340 0.001 0.000 0.215 19 L C 2.131 179.193 176.870 0.320 0.000 1.119 19 L CA 1.132 56.136 54.840 0.273 0.000 0.790 19 L CB -0.389 41.799 42.059 0.214 0.000 0.919 19 L HN 0.680 nan 8.230 nan 0.000 0.443 20 Q N 0.838 120.791 119.800 0.256 0.000 2.083 20 Q HA -0.182 4.159 4.340 0.001 0.000 0.198 20 Q C 1.959 178.113 176.000 0.256 0.000 0.969 20 Q CA 1.607 57.566 55.803 0.260 0.000 0.838 20 Q CB 0.018 28.877 28.738 0.201 0.000 0.900 20 Q HN 0.433 nan 8.270 nan 0.000 0.436 21 E N -0.806 119.524 120.200 0.217 0.000 2.106 21 E HA -0.156 4.195 4.350 0.001 0.000 0.192 21 E C 1.633 178.360 176.600 0.212 0.000 0.984 21 E CA 0.792 57.297 56.400 0.175 0.000 0.806 21 E CB -0.243 29.548 29.700 0.152 0.000 0.750 21 E HN 0.327 nan 8.360 nan 0.000 0.458 22 F N 1.319 121.330 119.950 0.102 0.000 2.102 22 F HA -0.220 4.307 4.527 0.001 0.000 0.298 22 F C 2.058 177.913 175.800 0.091 0.000 1.105 22 F CA 1.379 59.431 58.000 0.087 0.000 1.239 22 F CB -0.548 38.518 39.000 0.110 0.000 0.991 22 F HN 0.175 nan 8.300 nan 0.000 0.474 23 W N 1.540 122.805 121.300 -0.058 0.000 2.355 23 W HA -0.246 4.414 4.660 0.001 0.000 0.309 23 W C 1.784 178.169 176.519 -0.223 0.000 1.206 23 W CA 1.864 59.067 57.345 -0.237 0.000 1.284 23 W CB -0.518 28.828 29.460 -0.190 0.000 1.145 23 W HN 0.044 nan 8.180 nan 0.000 0.502 24 D N 0.443 120.725 120.400 -0.197 0.000 2.104 24 D HA -0.229 4.412 4.640 0.001 0.000 0.194 24 D C 1.706 177.806 176.300 -0.333 0.000 0.994 24 D CA 1.536 55.371 54.000 -0.276 0.000 0.830 24 D CB -0.859 39.906 40.800 -0.058 0.000 0.959 24 D HN 0.174 nan 8.370 nan 0.000 0.452 25 N N 0.481 119.045 118.700 -0.227 0.000 2.084 25 N HA -0.090 4.650 4.740 0.001 0.000 0.190 25 N C 2.159 177.464 175.510 -0.341 0.000 1.030 25 N CA 0.446 53.372 53.050 -0.206 0.000 0.849 25 N CB -0.466 37.972 38.487 -0.082 0.000 1.012 25 N HN 0.243 nan 8.380 nan 0.000 0.423 26 L N 0.186 121.095 121.223 -0.523 0.000 1.970 26 L HA -0.146 4.194 4.340 0.001 0.000 0.212 26 L C 2.219 178.711 176.870 -0.630 0.000 1.071 26 L CA 0.929 55.412 54.840 -0.595 0.000 0.751 26 L CB -0.407 41.218 42.059 -0.723 0.000 0.889 26 L HN 0.079 nan 8.230 nan 0.000 0.432 27 I N 0.088 120.061 120.570 -0.996 0.000 2.614 27 I HA -0.113 4.057 4.170 0.001 0.000 0.258 27 I C 2.040 177.871 176.117 -0.477 0.000 1.189 27 I CA 1.108 61.886 61.300 -0.871 0.000 1.462 27 I CB -0.338 36.880 38.000 -1.302 0.000 1.092 27 I HN 0.134 nan 8.210 nan 0.000 0.442 28 G N -0.712 107.841 108.800 -0.410 0.000 2.985 28 G HA2 0.210 4.171 3.960 0.001 0.000 0.209 28 G HA3 0.210 4.171 3.960 0.001 0.000 0.209 28 G C 1.333 176.120 174.900 -0.189 0.000 1.165 28 G CA 0.273 45.225 45.100 -0.247 0.000 0.776 28 G HN 0.676 nan 8.290 nan 0.000 0.541 29 G N -0.643 108.028 108.800 -0.215 0.000 2.203 29 G HA2 -0.259 3.702 3.960 0.001 0.000 0.263 29 G HA3 -0.259 3.702 3.960 0.001 0.000 0.263 29 G C 0.290 175.110 174.900 -0.133 0.000 1.012 29 G CA 0.264 45.266 45.100 -0.164 0.000 0.749 29 G HN 0.711 nan 8.290 nan 0.000 0.512 30 V N 0.770 120.604 119.914 -0.134 0.000 2.555 30 V HA 0.302 4.422 4.120 0.001 0.000 0.286 30 V C 0.682 176.735 176.094 -0.068 0.000 1.044 30 V CA -0.530 61.720 62.300 -0.085 0.000 1.026 30 V CB 1.603 33.383 31.823 -0.073 0.000 0.981 30 V HN 0.366 nan 8.190 nan 0.000 0.480 31 D N 4.412 124.792 120.400 -0.033 0.000 2.339 31 D HA 0.196 4.836 4.640 0.001 0.000 0.256 31 D C 0.676 176.990 176.300 0.024 0.000 1.214 31 D CA 0.047 54.048 54.000 0.002 0.000 0.877 31 D CB 1.219 42.052 40.800 0.055 0.000 1.111 31 D HN 0.497 nan 8.370 nan 0.000 0.478 32 M N 2.164 121.788 119.600 0.039 0.000 2.561 32 M HA 0.066 4.547 4.480 0.001 0.000 0.238 32 M C 0.249 176.579 176.300 0.050 0.000 1.131 32 M CA 0.064 55.397 55.300 0.056 0.000 1.046 32 M CB 0.599 33.261 32.600 0.103 0.000 1.532 32 M HN 0.085 nan 8.290 nan 0.000 0.497 33 V N 1.499 121.445 119.914 0.054 0.000 2.461 33 V HA 0.248 4.368 4.120 0.001 0.000 0.275 33 V C 0.552 176.661 176.094 0.024 0.000 1.047 33 V CA -0.285 62.040 62.300 0.042 0.000 0.955 33 V CB 0.820 32.679 31.823 0.060 0.000 0.988 33 V HN 0.412 nan 8.190 nan 0.000 0.471 34 T N 0.230 114.784 114.554 0.001 0.000 2.858 34 T HA 0.587 4.937 4.350 0.001 0.000 0.285 34 T C -0.350 174.334 174.700 -0.027 0.000 1.052 34 T CA -0.446 61.648 62.100 -0.010 0.000 1.009 34 T CB 2.048 70.905 68.868 -0.017 0.000 1.241 34 T HN 0.661 nan 8.240 nan 0.000 0.542 35 D N -1.143 119.240 120.400 -0.028 0.000 2.720 35 D HA 0.207 4.847 4.640 0.001 0.000 0.285 35 D C -0.297 175.977 176.300 -0.044 0.000 1.359 35 D CA -0.537 53.443 54.000 -0.034 0.000 0.818 35 D CB -0.593 40.197 40.800 -0.016 0.000 1.108 35 D HN 0.755 nan 8.370 nan 0.000 0.474 36 D N -1.054 119.310 120.400 -0.060 0.000 2.466 36 D HA 0.196 4.836 4.640 0.001 0.000 0.262 36 D C 0.114 176.358 176.300 -0.095 0.000 1.177 36 D CA -0.666 53.298 54.000 -0.060 0.000 1.035 36 D CB 0.739 41.510 40.800 -0.049 0.000 1.105 36 D HN -0.224 nan 8.370 nan 0.000 0.551 37 D N -0.813 119.542 120.400 -0.075 0.000 2.370 37 D HA 0.051 4.691 4.640 0.001 0.000 0.230 37 D C 1.322 177.561 176.300 -0.102 0.000 1.143 37 D CA -0.049 53.900 54.000 -0.084 0.000 0.834 37 D CB 0.033 40.816 40.800 -0.027 0.000 0.944 37 D HN 0.367 nan 8.370 nan 0.000 0.504 38 R N 0.606 121.030 120.500 -0.126 0.000 2.113 38 R HA -0.136 4.204 4.340 0.001 0.000 0.244 38 R C 1.781 178.008 176.300 -0.122 0.000 1.142 38 R CA 1.442 57.477 56.100 -0.109 0.000 0.953 38 R CB 0.280 30.513 30.300 -0.112 0.000 0.860 38 R HN 0.049 nan 8.270 nan 0.000 0.438 39 R N -1.528 118.812 120.500 -0.266 0.000 2.146 39 R HA 0.042 4.383 4.340 0.001 0.000 0.206 39 R C 0.107 176.409 176.300 0.003 0.000 1.049 39 R CA 0.709 56.668 56.100 -0.235 0.000 1.029 39 R CB 0.322 30.293 30.300 -0.547 0.000 0.949 39 R HN 0.231 nan 8.270 nan 0.000 0.471 40 W N -0.314 120.994 121.300 0.012 0.000 3.059 40 W HA 0.430 5.090 4.660 0.001 0.000 0.329 40 W C -1.369 175.131 176.519 -0.032 0.000 1.246 40 W CA -1.394 55.945 57.345 -0.009 0.000 1.190 40 W CB 0.042 29.492 29.460 -0.017 0.000 1.423 40 W HN -0.371 nan 8.180 nan 0.000 0.571 41 K N 2.012 122.566 120.400 0.257 0.000 2.491 41 K HA 0.352 4.673 4.320 0.001 0.000 0.279 41 K C 0.527 177.238 176.600 0.185 0.000 1.026 41 K CA 0.715 57.081 56.287 0.132 0.000 1.070 41 K CB 0.351 32.884 32.500 0.054 0.000 0.887 41 K HN 0.591 nan 8.250 nan 0.000 0.481 42 A N 2.860 125.732 122.820 0.086 0.000 2.522 42 A HA 0.371 4.691 4.320 0.001 0.000 0.256 42 A C 1.339 178.974 177.584 0.085 0.000 1.086 42 A CA 0.587 52.672 52.037 0.080 0.000 0.763 42 A CB -0.586 18.426 19.000 0.021 0.000 1.024 42 A HN 0.970 nan 8.150 nan 0.000 0.502 43 G N 1.219 110.090 108.800 0.118 0.000 2.175 43 G HA2 -0.123 3.837 3.960 0.001 0.000 0.244 43 G HA3 -0.123 3.837 3.960 0.001 0.000 0.244 43 G C 0.141 175.061 174.900 0.033 0.000 0.982 43 G CA 0.089 45.232 45.100 0.073 0.000 0.641 43 G HN 1.478 nan 8.290 nan 0.000 0.527 44 L N 0.707 121.933 121.223 0.004 0.000 2.578 44 L HA 0.428 4.768 4.340 0.001 0.000 0.279 44 L C 1.318 178.059 176.870 -0.215 0.000 1.227 44 L CA 0.677 55.370 54.840 -0.245 0.000 0.900 44 L CB -0.564 41.238 42.059 -0.428 0.000 1.144 44 L HN 0.651 nan 8.230 nan 0.000 0.496 45 Y N 2.872 123.145 120.300 -0.045 0.000 4.324 45 Y HA -0.198 4.352 4.550 0.001 0.000 0.224 45 Y C 1.544 177.421 175.900 -0.038 0.000 1.113 45 Y CA 1.129 59.193 58.100 -0.060 0.000 1.887 45 Y CB -2.254 36.139 38.460 -0.112 0.000 1.602 45 Y HN 0.980 nan 8.280 nan 0.000 0.654 46 G N -0.892 107.966 108.800 0.097 0.000 2.143 46 G HA2 -0.313 3.648 3.960 0.001 0.000 0.248 46 G HA3 -0.313 3.648 3.960 0.001 0.000 0.248 46 G C 0.218 175.157 174.900 0.065 0.000 0.991 46 G CA 0.107 45.246 45.100 0.066 0.000 0.689 46 G HN 0.528 nan 8.290 nan 0.000 0.522 47 L N 0.413 121.687 121.223 0.085 0.000 2.472 47 L HA 0.375 4.715 4.340 0.001 0.000 0.260 47 L C -1.314 175.618 176.870 0.103 0.000 1.209 47 L CA -1.863 53.040 54.840 0.106 0.000 0.817 47 L CB 0.286 42.444 42.059 0.165 0.000 1.106 47 L HN -0.061 nan 8.230 nan 0.000 0.479 48 P HA 0.092 nan 4.420 nan 0.000 0.272 48 P C -0.156 177.197 177.300 0.087 0.000 1.223 48 P CA -0.355 62.783 63.100 0.062 0.000 0.784 48 P CB 0.495 32.215 31.700 0.034 0.000 0.923 49 R N 1.718 122.249 120.500 0.051 0.000 2.119 49 R HA 0.067 4.408 4.340 0.001 0.000 0.222 49 R C 0.356 176.662 176.300 0.010 0.000 1.088 49 R CA 0.634 56.758 56.100 0.040 0.000 0.984 49 R CB -0.244 30.068 30.300 0.020 0.000 0.884 49 R HN 0.378 nan 8.270 nan 0.000 0.447 50 R N 1.830 122.334 120.500 0.007 0.000 2.410 50 R HA 0.240 4.580 4.340 0.001 0.000 0.288 50 R C -0.442 175.854 176.300 -0.005 0.000 1.051 50 R CA 0.155 56.251 56.100 -0.007 0.000 1.021 50 R CB 1.481 31.779 30.300 -0.004 0.000 1.032 50 R HN 0.319 nan 8.270 nan 0.000 0.481 51 S N -0.153 115.532 115.700 -0.026 0.000 2.567 51 S HA 0.437 4.907 4.470 0.001 0.000 0.270 51 S C -0.602 173.982 174.600 -0.028 0.000 1.152 51 S CA -1.080 57.106 58.200 -0.022 0.000 0.835 51 S CB 1.548 64.714 63.200 -0.057 0.000 1.115 51 S HN 0.669 nan 8.310 nan 0.000 0.459 52 G N 1.075 109.872 108.800 -0.005 0.000 2.338 52 G HA2 0.559 4.519 3.960 0.001 0.000 0.295 52 G HA3 0.559 4.519 3.960 0.001 0.000 0.295 52 G C -0.829 174.055 174.900 -0.027 0.000 1.132 52 G CA -0.614 44.487 45.100 0.001 0.000 0.922 52 G HN 0.693 nan 8.290 nan 0.000 0.427 53 K N 2.329 122.707 120.400 -0.036 0.000 2.318 53 K HA 0.422 4.743 4.320 0.001 0.000 0.249 53 K C -0.090 176.493 176.600 -0.029 0.000 0.942 53 K CA -0.788 55.467 56.287 -0.053 0.000 0.808 53 K CB 2.613 35.057 32.500 -0.092 0.000 1.189 53 K HN 0.314 nan 8.250 nan 0.000 0.428 54 L N 2.791 123.998 121.223 -0.027 0.000 2.452 54 L HA 0.111 4.451 4.340 0.001 0.000 0.267 54 L C 1.436 178.301 176.870 -0.008 0.000 1.188 54 L CA 0.041 54.874 54.840 -0.013 0.000 0.821 54 L CB 0.335 42.386 42.059 -0.013 0.000 1.102 54 L HN 0.634 nan 8.230 nan 0.000 0.470 55 K N 0.262 120.667 120.400 0.008 0.000 2.097 55 K HA -0.105 4.216 4.320 0.001 0.000 0.206 55 K C 0.122 176.727 176.600 0.007 0.000 1.049 55 K CA 1.150 57.444 56.287 0.012 0.000 0.933 55 K CB 0.054 32.572 32.500 0.030 0.000 0.717 55 K HN 0.512 nan 8.250 nan 0.000 0.442 56 D N -1.543 118.861 120.400 0.007 0.000 2.837 56 D HA 0.197 4.837 4.640 0.001 0.000 0.220 56 D C -0.500 175.797 176.300 -0.004 0.000 1.236 56 D CA -0.384 53.618 54.000 0.002 0.000 0.838 56 D CB 1.719 42.521 40.800 0.003 0.000 1.647 56 D HN -0.148 nan 8.370 nan 0.000 0.486 57 L N 1.560 122.784 121.223 0.002 0.000 2.966 57 L HA 0.089 4.430 4.340 0.001 0.000 0.262 57 L C 1.681 178.565 176.870 0.023 0.000 1.165 57 L CA 0.112 54.954 54.840 0.003 0.000 0.978 57 L CB 0.457 42.525 42.059 0.015 0.000 1.337 57 L HN 0.310 nan 8.230 nan 0.000 0.563 58 S N -1.304 114.417 115.700 0.035 0.000 2.548 58 S HA 0.185 4.655 4.470 0.001 0.000 0.215 58 S C 0.920 175.612 174.600 0.153 0.000 0.976 58 S CA -0.453 57.804 58.200 0.095 0.000 0.908 58 S CB 0.115 63.352 63.200 0.063 0.000 0.781 58 S HN 0.116 nan 8.310 nan 0.000 0.519 59 R N 1.480 121.990 120.500 0.017 0.000 2.357 59 R HA 0.622 4.962 4.340 0.001 0.000 0.296 59 R C -1.290 175.028 176.300 0.030 0.000 1.052 59 R CA -0.654 55.382 56.100 -0.108 0.000 0.988 59 R CB 0.227 30.154 30.300 -0.621 0.000 1.025 59 R HN 0.395 nan 8.270 nan 0.000 0.469 60 F N 1.128 121.120 119.950 0.070 0.000 2.651 60 F HA 0.105 4.632 4.527 0.001 0.000 0.327 60 F C -1.107 174.866 175.800 0.289 0.000 1.133 60 F CA -1.438 56.585 58.000 0.038 0.000 1.076 60 F CB 1.520 40.367 39.000 -0.255 0.000 1.315 60 F HN 0.420 nan 8.300 nan 0.000 0.499 61 D N 5.033 125.315 120.400 -0.196 0.000 2.619 61 D HA 0.376 5.016 4.640 0.001 0.000 0.224 61 D C 1.185 177.170 176.300 -0.525 0.000 1.133 61 D CA 0.736 54.670 54.000 -0.110 0.000 1.017 61 D CB 0.966 41.815 40.800 0.082 0.000 1.077 61 D HN 0.699 nan 8.370 nan 0.000 0.503 62 A N 1.957 124.363 122.820 -0.690 0.000 1.917 62 A HA -0.232 4.089 4.320 0.001 0.000 0.219 62 A C 2.264 179.675 177.584 -0.288 0.000 1.182 62 A CA 2.122 53.707 52.037 -0.752 0.000 0.633 62 A CB -0.444 18.210 19.000 -0.577 0.000 0.819 62 A HN 0.544 nan 8.150 nan 0.000 0.448 63 S N -1.403 114.232 115.700 -0.109 0.000 2.383 63 S HA -0.146 4.324 4.470 0.001 0.000 0.227 63 S C 1.809 176.371 174.600 -0.063 0.000 1.026 63 S CA 1.282 59.454 58.200 -0.046 0.000 0.981 63 S CB -0.736 62.472 63.200 0.013 0.000 0.818 63 S HN 0.533 nan 8.310 nan 0.000 0.472 64 F N 2.055 121.858 119.950 -0.245 0.000 2.161 64 F HA 0.091 4.619 4.527 0.001 0.000 0.300 64 F C 1.245 176.713 175.800 -0.553 0.000 1.089 64 F CA 0.896 58.673 58.000 -0.372 0.000 1.282 64 F CB -0.422 38.285 39.000 -0.488 0.000 1.010 64 F HN 0.191 nan 8.300 nan 0.000 0.485 65 F N 0.574 120.299 119.950 -0.374 0.000 2.773 65 F HA 0.296 4.823 4.527 0.001 0.000 0.304 65 F C 1.815 177.453 175.800 -0.270 0.000 1.129 65 F CA 0.493 58.096 58.000 -0.663 0.000 1.378 65 F CB -0.580 38.004 39.000 -0.692 0.000 1.095 65 F HN 0.093 nan 8.300 nan 0.000 0.565 66 G N 0.921 109.685 108.800 -0.060 0.000 2.225 66 G HA2 -0.263 3.697 3.960 0.001 0.000 0.267 66 G HA3 -0.263 3.697 3.960 0.001 0.000 0.267 66 G C -0.127 174.808 174.900 0.059 0.000 1.024 66 G CA 0.210 45.325 45.100 0.025 0.000 0.784 66 G HN 0.185 nan 8.290 nan 0.000 0.507 67 V N 1.909 121.834 119.914 0.019 0.000 2.370 67 V HA 0.374 4.495 4.120 0.001 0.000 0.279 67 V C 0.945 177.034 176.094 -0.009 0.000 1.029 67 V CA -1.248 61.064 62.300 0.020 0.000 0.870 67 V CB 1.489 33.347 31.823 0.059 0.000 0.984 67 V HN 0.491 nan 8.190 nan 0.000 0.451 68 H N 7.591 126.612 119.070 -0.081 0.000 2.771 68 H HA 0.141 4.698 4.556 0.001 0.000 0.364 68 H C -1.907 173.374 175.328 -0.079 0.000 1.133 68 H CA -1.390 54.619 56.048 -0.065 0.000 1.423 68 H CB 1.956 31.667 29.762 -0.085 0.000 1.425 68 H HN 0.329 nan 8.280 nan 0.000 0.606 69 P HA -0.159 nan 4.420 nan 0.000 0.216 69 P C 1.363 178.840 177.300 0.295 0.000 1.153 69 P CA 1.709 64.866 63.100 0.095 0.000 0.858 69 P CB 0.295 32.073 31.700 0.129 0.000 0.789 70 K N -0.428 120.282 120.400 0.516 0.000 2.097 70 K HA -0.208 4.112 4.320 0.001 0.000 0.206 70 K C 2.195 178.896 176.600 0.168 0.000 1.049 70 K CA 1.454 57.946 56.287 0.341 0.000 0.933 70 K CB -0.460 32.102 32.500 0.104 0.000 0.717 70 K HN 0.158 nan 8.250 nan 0.000 0.442 71 Q N 0.918 120.716 119.800 -0.003 0.000 2.123 71 Q HA -0.003 4.337 4.340 0.001 0.000 0.199 71 Q C 1.819 177.800 176.000 -0.033 0.000 0.966 71 Q CA 1.479 57.260 55.803 -0.037 0.000 0.845 71 Q CB -0.131 28.537 28.738 -0.116 0.000 0.907 71 Q HN 0.252 nan 8.270 nan 0.000 0.439 72 A N -0.199 122.520 122.820 -0.168 0.000 1.930 72 A HA -0.187 4.133 4.320 0.001 0.000 0.217 72 A C 1.829 179.264 177.584 -0.247 0.000 1.175 72 A CA 1.503 53.279 52.037 -0.436 0.000 0.627 72 A CB -0.891 17.405 19.000 -1.173 0.000 0.815 72 A HN 0.527 nan 8.150 nan 0.000 0.443 73 H N 0.154 119.290 119.070 0.110 0.000 2.457 73 H HA -0.054 4.502 4.556 0.001 0.000 0.294 73 H C 1.449 176.860 175.328 0.137 0.000 1.064 73 H CA 1.773 57.973 56.048 0.254 0.000 1.330 73 H CB -0.154 29.795 29.762 0.312 0.000 1.395 73 H HN 0.627 nan 8.280 nan 0.000 0.541 74 T N -2.214 112.472 114.554 0.220 0.000 3.243 74 T HA 0.330 4.681 4.350 0.001 0.000 0.264 74 T C 0.543 175.278 174.700 0.058 0.000 1.000 74 T CA -0.305 61.886 62.100 0.153 0.000 0.901 74 T CB -0.079 68.919 68.868 0.216 0.000 1.083 74 T HN -0.057 nan 8.240 nan 0.000 0.559 75 M N 2.042 121.628 119.600 -0.022 0.000 2.404 75 M HA 0.363 4.843 4.480 0.001 0.000 0.338 75 M C -0.304 175.931 176.300 -0.108 0.000 1.150 75 M CA -0.817 54.415 55.300 -0.113 0.000 1.016 75 M CB 1.549 33.983 32.600 -0.276 0.000 1.672 75 M HN 0.097 nan 8.290 nan 0.000 0.448 76 D N 3.674 124.015 120.400 -0.099 0.000 2.458 76 D HA 0.056 4.696 4.640 0.001 0.000 0.243 76 D C -1.824 174.398 176.300 -0.130 0.000 1.146 76 D CA -1.266 52.691 54.000 -0.071 0.000 0.877 76 D CB 1.327 42.096 40.800 -0.051 0.000 1.176 76 D HN 0.233 nan 8.370 nan 0.000 0.461 77 P HA -0.136 nan 4.420 nan 0.000 0.219 77 P C 1.131 178.348 177.300 -0.138 0.000 1.146 77 P CA 1.233 64.263 63.100 -0.116 0.000 0.808 77 P CB 0.231 31.910 31.700 -0.035 0.000 0.779 78 Q N -1.128 118.617 119.800 -0.091 0.000 2.084 78 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 78 Q C 2.011 177.935 176.000 -0.126 0.000 0.978 78 Q CA 1.077 56.833 55.803 -0.079 0.000 0.844 78 Q CB -0.725 27.991 28.738 -0.037 0.000 0.898 78 Q HN 0.202 nan 8.270 nan 0.000 0.426 79 L N 0.782 121.902 121.223 -0.172 0.000 2.072 79 L HA -0.104 4.236 4.340 0.001 0.000 0.205 79 L C 2.088 178.717 176.870 -0.401 0.000 1.079 79 L CA 1.583 56.290 54.840 -0.221 0.000 0.752 79 L CB -0.288 41.646 42.059 -0.208 0.000 0.906 79 L HN -0.002 nan 8.230 nan 0.000 0.436 80 R N -0.562 119.579 120.500 -0.599 0.000 2.083 80 R HA -0.162 4.179 4.340 0.001 0.000 0.237 80 R C 2.258 178.224 176.300 -0.558 0.000 1.137 80 R CA 1.942 57.395 56.100 -1.079 0.000 0.951 80 R CB -0.705 28.894 30.300 -1.169 0.000 0.851 80 R HN 0.390 nan 8.270 nan 0.000 0.434 81 L N 0.319 121.357 121.223 -0.308 0.000 2.093 81 L HA -0.168 4.172 4.340 0.001 0.000 0.208 81 L C 2.441 179.244 176.870 -0.112 0.000 1.085 81 L CA 0.600 55.348 54.840 -0.154 0.000 0.755 81 L CB -0.425 41.581 42.059 -0.089 0.000 0.904 81 L HN 0.178 nan 8.230 nan 0.000 0.435 82 L N -0.039 121.115 121.223 -0.115 0.000 2.083 82 L HA -0.179 4.161 4.340 0.001 0.000 0.209 82 L C 2.342 179.211 176.870 -0.002 0.000 1.083 82 L CA 1.569 56.391 54.840 -0.031 0.000 0.752 82 L CB -0.414 41.636 42.059 -0.016 0.000 0.899 82 L HN 0.088 nan 8.230 nan 0.000 0.433 83 L N -0.699 120.433 121.223 -0.152 0.000 2.013 83 L HA -0.269 4.071 4.340 0.001 0.000 0.212 83 L C 2.518 179.343 176.870 -0.074 0.000 1.073 83 L CA 1.808 56.511 54.840 -0.228 0.000 0.753 83 L CB -0.498 41.036 42.059 -0.875 0.000 0.890 83 L HN 0.360 nan 8.230 nan 0.000 0.432 84 E N -0.874 119.205 120.200 -0.202 0.000 2.072 84 E HA -0.162 4.189 4.350 0.001 0.000 0.190 84 E C 2.248 179.054 176.600 0.343 0.000 0.982 84 E CA 1.106 57.502 56.400 -0.008 0.000 0.803 84 E CB -0.052 29.395 29.700 -0.422 0.000 0.755 84 E HN 0.265 nan 8.360 nan 0.000 0.453 85 V N 1.342 121.386 119.914 0.217 0.000 2.490 85 V HA -0.227 3.893 4.120 0.001 0.000 0.250 85 V C 2.235 178.496 176.094 0.280 0.000 1.061 85 V CA 1.982 64.427 62.300 0.241 0.000 1.064 85 V CB -0.586 31.318 31.823 0.135 0.000 0.670 85 V HN 0.329 nan 8.190 nan 0.000 0.461 86 T N -1.115 113.619 114.554 0.299 0.000 2.737 86 T HA -0.200 4.151 4.350 0.001 0.000 0.265 86 T C 1.752 176.646 174.700 0.323 0.000 1.038 86 T CA 1.825 64.074 62.100 0.247 0.000 1.144 86 T CB -0.341 68.660 68.868 0.222 0.000 0.866 86 T HN 0.550 nan 8.240 nan 0.000 0.434 87 Y N 2.032 122.694 120.300 0.603 0.000 2.128 87 Y HA -0.181 4.369 4.550 0.001 0.000 0.284 87 Y C 2.308 178.497 175.900 0.482 0.000 1.154 87 Y CA 1.618 60.164 58.100 0.744 0.000 1.149 87 Y CB -0.198 38.905 38.460 1.071 0.000 0.976 87 Y HN 0.304 nan 8.280 nan 0.000 0.505 88 E N -0.322 120.261 120.200 0.639 0.000 2.110 88 E HA -0.185 4.165 4.350 0.001 0.000 0.193 88 E C 2.319 179.064 176.600 0.241 0.000 0.988 88 E CA 0.909 57.569 56.400 0.434 0.000 0.804 88 E CB -0.302 29.664 29.700 0.443 0.000 0.745 88 E HN 0.571 nan 8.360 nan 0.000 0.458 89 A N 0.953 123.897 122.820 0.207 0.000 1.930 89 A HA -0.151 4.169 4.320 0.001 0.000 0.217 89 A C 2.143 179.780 177.584 0.088 0.000 1.175 89 A CA 0.994 53.115 52.037 0.141 0.000 0.627 89 A CB -0.473 18.597 19.000 0.117 0.000 0.815 89 A HN 0.124 nan 8.150 nan 0.000 0.443 90 I N 0.261 120.852 120.570 0.035 0.000 2.163 90 I HA -0.213 3.957 4.170 0.001 0.000 0.240 90 I C 2.518 178.612 176.117 -0.039 0.000 1.081 90 I CA 1.577 62.861 61.300 -0.025 0.000 1.353 90 I CB -0.443 37.514 38.000 -0.073 0.000 1.054 90 I HN 0.310 nan 8.210 nan 0.000 0.407 91 V N -1.267 118.602 119.914 -0.075 0.000 2.594 91 V HA -0.268 3.852 4.120 0.001 0.000 0.253 91 V C 1.975 178.083 176.094 0.023 0.000 1.069 91 V CA 2.258 64.534 62.300 -0.041 0.000 1.082 91 V CB -0.946 30.858 31.823 -0.032 0.000 0.680 91 V HN 0.417 nan 8.190 nan 0.000 0.469 92 D N 1.922 122.366 120.400 0.073 0.000 2.182 92 D HA -0.064 4.577 4.640 0.001 0.000 0.201 92 D C 1.985 178.327 176.300 0.069 0.000 0.986 92 D CA 1.605 55.674 54.000 0.114 0.000 0.847 92 D CB -0.585 40.322 40.800 0.177 0.000 0.942 92 D HN 0.549 nan 8.370 nan 0.000 0.467 93 G N -1.609 107.208 108.800 0.029 0.000 3.088 93 G HA2 0.262 4.223 3.960 0.001 0.000 0.212 93 G HA3 0.262 4.223 3.960 0.001 0.000 0.212 93 G C 1.120 175.968 174.900 -0.088 0.000 1.173 93 G CA 0.234 45.313 45.100 -0.034 0.000 0.779 93 G HN 0.551 nan 8.290 nan 0.000 0.540 94 G N -0.241 108.521 108.800 -0.064 0.000 2.160 94 G HA2 -0.275 3.686 3.960 0.001 0.000 0.251 94 G HA3 -0.275 3.686 3.960 0.001 0.000 0.251 94 G C 0.151 174.982 174.900 -0.114 0.000 1.008 94 G CA 0.297 45.340 45.100 -0.095 0.000 0.724 94 G HN 0.494 nan 8.290 nan 0.000 0.514 95 I N 0.436 120.955 120.570 -0.085 0.000 2.404 95 I HA 0.278 4.449 4.170 0.001 0.000 0.293 95 I C 0.192 176.283 176.117 -0.044 0.000 0.992 95 I CA -1.102 60.155 61.300 -0.071 0.000 1.149 95 I CB 1.542 39.504 38.000 -0.063 0.000 1.315 95 I HN 0.088 nan 8.210 nan 0.000 0.446 96 N N 8.120 126.808 118.700 -0.020 0.000 2.430 96 N HA 0.179 4.919 4.740 0.001 0.000 0.265 96 N C -1.939 173.593 175.510 0.037 0.000 1.100 96 N CA -1.787 51.272 53.050 0.013 0.000 0.961 96 N CB 1.601 40.108 38.487 0.034 0.000 1.075 96 N HN 0.242 nan 8.380 nan 0.000 0.478 97 P HA -0.093 nan 4.420 nan 0.000 0.218 97 P C 0.403 177.791 177.300 0.147 0.000 1.146 97 P CA 0.975 64.156 63.100 0.135 0.000 0.813 97 P CB 0.381 32.220 31.700 0.231 0.000 0.778 98 D N -0.968 119.494 120.400 0.102 0.000 2.218 98 D HA -0.121 4.519 4.640 0.001 0.000 0.204 98 D C 1.968 178.299 176.300 0.053 0.000 0.976 98 D CA 1.541 55.574 54.000 0.055 0.000 0.853 98 D CB -0.597 40.227 40.800 0.039 0.000 0.939 98 D HN 0.253 nan 8.370 nan 0.000 0.481 99 S N -0.369 115.365 115.700 0.058 0.000 2.515 99 S HA -0.036 4.434 4.470 0.001 0.000 0.231 99 S C 1.791 176.433 174.600 0.070 0.000 0.987 99 S CA 0.346 58.574 58.200 0.047 0.000 0.936 99 S CB -0.269 62.946 63.200 0.026 0.000 0.766 99 S HN 0.243 nan 8.310 nan 0.000 0.528 100 L N 0.257 121.557 121.223 0.129 0.000 2.640 100 L HA 0.317 4.657 4.340 0.001 0.000 0.230 100 L C 0.881 177.906 176.870 0.258 0.000 1.123 100 L CA -0.305 54.650 54.840 0.192 0.000 0.900 100 L CB 0.005 42.233 42.059 0.282 0.000 1.146 100 L HN 0.076 nan 8.230 nan 0.000 0.484 101 R N 0.412 121.006 120.500 0.158 0.000 2.537 101 R HA 0.268 4.609 4.340 0.001 0.000 0.280 101 R C 1.191 177.541 176.300 0.083 0.000 1.058 101 R CA 0.777 56.934 56.100 0.094 0.000 1.057 101 R CB 0.350 30.640 30.300 -0.017 0.000 0.973 101 R HN 0.251 nan 8.270 nan 0.000 0.438 102 G N 1.489 110.342 108.800 0.088 0.000 2.179 102 G HA2 -0.325 3.635 3.960 0.001 0.000 0.260 102 G HA3 -0.325 3.635 3.960 0.001 0.000 0.260 102 G C 0.355 175.313 174.900 0.098 0.000 0.977 102 G CA 0.565 45.706 45.100 0.069 0.000 0.641 102 G HN 0.738 nan 8.290 nan 0.000 0.533 103 T N -3.234 111.398 114.554 0.130 0.000 2.847 103 T HA 0.515 4.866 4.350 0.001 0.000 0.279 103 T C 0.591 175.365 174.700 0.124 0.000 0.984 103 T CA 0.212 62.379 62.100 0.113 0.000 0.988 103 T CB 1.502 70.416 68.868 0.077 0.000 1.040 103 T HN 0.295 nan 8.240 nan 0.000 0.528 104 H N 0.199 119.278 119.070 0.015 0.000 2.842 104 H HA 0.293 4.849 4.556 0.001 0.000 0.312 104 H C 0.238 175.544 175.328 -0.037 0.000 1.137 104 H CA 0.052 56.104 56.048 0.006 0.000 1.176 104 H CB -1.077 28.690 29.762 0.009 0.000 1.361 104 H HN 0.616 nan 8.280 nan 0.000 0.557 105 T N -0.028 114.444 114.554 -0.137 0.000 2.916 105 T HA 0.284 4.634 4.350 0.001 0.000 0.303 105 T C 0.908 175.410 174.700 -0.331 0.000 1.025 105 T CA 0.328 62.229 62.100 -0.333 0.000 1.142 105 T CB 0.915 69.280 68.868 -0.837 0.000 0.947 105 T HN 0.599 nan 8.240 nan 0.000 0.544 106 G N 1.075 109.762 108.800 -0.189 0.000 2.462 106 G HA2 0.599 4.559 3.960 0.001 0.000 0.319 106 G HA3 0.599 4.559 3.960 0.001 0.000 0.319 106 G C -1.203 173.597 174.900 -0.167 0.000 1.171 106 G CA -0.544 44.412 45.100 -0.241 0.000 0.920 106 G HN 0.659 nan 8.290 nan 0.000 0.499 107 V N 0.939 120.627 119.914 -0.377 0.000 2.569 107 V HA 0.459 4.579 4.120 0.001 0.000 0.301 107 V C -1.129 174.820 176.094 -0.242 0.000 1.044 107 V CA -0.695 61.552 62.300 -0.089 0.000 0.874 107 V CB 1.696 33.543 31.823 0.040 0.000 1.002 107 V HN 0.732 nan 8.190 nan 0.000 0.424 108 W N 4.064 125.392 121.300 0.046 0.000 2.619 108 W HA 0.679 5.339 4.660 0.001 0.000 0.327 108 W C -1.118 175.429 176.519 0.048 0.000 1.027 108 W CA -0.663 56.709 57.345 0.045 0.000 1.233 108 W CB 2.330 31.813 29.460 0.039 0.000 1.370 108 W HN 0.285 nan 8.180 nan 0.000 0.453 109 V N 2.452 122.491 119.914 0.209 0.000 2.409 109 V HA 0.489 4.609 4.120 0.001 0.000 0.291 109 V C 0.509 176.680 176.094 0.128 0.000 1.020 109 V CA -0.686 61.701 62.300 0.146 0.000 0.848 109 V CB 1.515 33.396 31.823 0.096 0.000 0.990 109 V HN 0.638 nan 8.190 nan 0.000 0.430 110 G N 3.184 112.051 108.800 0.112 0.000 2.356 110 G HA2 0.524 4.484 3.960 0.001 0.000 0.300 110 G HA3 0.524 4.484 3.960 0.001 0.000 0.300 110 G C -0.835 174.106 174.900 0.069 0.000 1.107 110 G CA -0.205 44.948 45.100 0.089 0.000 0.960 110 G HN 0.730 nan 8.290 nan 0.000 0.418 111 V N 2.068 122.021 119.914 0.065 0.000 2.971 111 V HA 0.729 4.849 4.120 0.001 0.000 0.309 111 V C 0.427 176.556 176.094 0.059 0.000 1.130 111 V CA 0.084 62.418 62.300 0.056 0.000 0.964 111 V CB 2.457 34.308 31.823 0.047 0.000 1.029 111 V HN 1.018 nan 8.190 nan 0.000 0.427 112 S N 3.057 118.797 115.700 0.066 0.000 2.687 112 S HA 0.497 4.968 4.470 0.001 0.000 0.247 112 S C 0.499 175.150 174.600 0.084 0.000 1.050 112 S CA 0.325 58.575 58.200 0.083 0.000 1.063 112 S CB 0.607 63.876 63.200 0.115 0.000 1.039 112 S HN 1.586 nan 8.310 nan 0.000 0.580 113 G N -0.029 108.813 108.800 0.071 0.000 2.524 113 G HA2 0.572 4.533 3.960 0.001 0.000 0.310 113 G HA3 0.572 4.533 3.960 0.001 0.000 0.310 113 G C -0.772 174.159 174.900 0.051 0.000 1.279 113 G CA -0.579 44.559 45.100 0.064 0.000 0.974 113 G HN 0.111 nan 8.290 nan 0.000 0.484 114 S N 0.514 116.244 115.700 0.050 0.000 2.665 114 S HA 0.163 4.633 4.470 0.001 0.000 0.235 114 S C 1.082 175.729 174.600 0.078 0.000 1.084 114 S CA -0.428 57.803 58.200 0.053 0.000 1.151 114 S CB 0.397 63.623 63.200 0.044 0.000 1.151 114 S HN 0.727 nan 8.310 nan 0.000 0.461 115 E N 0.709 120.961 120.200 0.086 0.000 2.110 115 E HA -0.119 4.232 4.350 0.001 0.000 0.193 115 E C 1.595 178.375 176.600 0.300 0.000 0.988 115 E CA 1.498 57.985 56.400 0.145 0.000 0.804 115 E CB -0.064 29.651 29.700 0.026 0.000 0.745 115 E HN 0.371 nan 8.360 nan 0.000 0.458 116 T N 0.227 114.901 114.554 0.201 0.000 2.746 116 T HA -0.190 4.160 4.350 0.001 0.000 0.267 116 T C 2.018 176.783 174.700 0.108 0.000 1.039 116 T CA 1.393 63.588 62.100 0.158 0.000 1.142 116 T CB -0.288 68.635 68.868 0.091 0.000 0.866 116 T HN 0.111 nan 8.240 nan 0.000 0.444 117 S N 1.011 116.763 115.700 0.087 0.000 2.383 117 S HA -0.202 4.268 4.470 0.001 0.000 0.229 117 S C 2.140 176.781 174.600 0.067 0.000 1.030 117 S CA 2.021 60.255 58.200 0.056 0.000 1.002 117 S CB -0.276 62.950 63.200 0.043 0.000 0.829 117 S HN 0.752 nan 8.310 nan 0.000 0.467 118 E N 0.753 121.028 120.200 0.125 0.000 2.047 118 E HA -0.005 4.346 4.350 0.001 0.000 0.191 118 E C 2.117 178.774 176.600 0.096 0.000 0.987 118 E CA 1.157 57.642 56.400 0.142 0.000 0.799 118 E CB -0.742 29.096 29.700 0.229 0.000 0.752 118 E HN 0.516 nan 8.360 nan 0.000 0.449 119 A N 1.322 124.191 122.820 0.082 0.000 1.908 119 A HA -0.118 4.202 4.320 0.001 0.000 0.218 119 A C 2.287 179.807 177.584 -0.107 0.000 1.181 119 A CA 1.465 53.391 52.037 -0.185 0.000 0.627 119 A CB -0.724 18.065 19.000 -0.351 0.000 0.818 119 A HN 0.381 nan 8.150 nan 0.000 0.445 120 L N 0.251 121.450 121.223 -0.040 0.000 2.395 120 L HA -0.047 4.294 4.340 0.001 0.000 0.218 120 L C 2.053 178.897 176.870 -0.043 0.000 1.130 120 L CA 1.182 55.999 54.840 -0.039 0.000 0.826 120 L CB -0.151 41.898 42.059 -0.017 0.000 0.941 120 L HN 0.563 nan 8.230 nan 0.000 0.451 121 S N -0.981 114.702 115.700 -0.029 0.000 2.554 121 S HA 0.032 4.502 4.470 0.001 0.000 0.226 121 S C 1.745 176.327 174.600 -0.029 0.000 0.980 121 S CA -0.653 57.528 58.200 -0.031 0.000 0.939 121 S CB -0.068 63.122 63.200 -0.017 0.000 0.832 121 S HN 0.450 nan 8.310 nan 0.000 0.486 122 R N 1.054 121.532 120.500 -0.037 0.000 2.148 122 R HA 0.042 4.382 4.340 0.001 0.000 0.227 122 R C -0.238 176.041 176.300 -0.035 0.000 1.103 122 R CA 1.280 57.359 56.100 -0.035 0.000 0.983 122 R CB -0.372 29.895 30.300 -0.055 0.000 0.874 122 R HN 0.291 nan 8.270 nan 0.000 0.451 123 D N 1.172 121.548 120.400 -0.041 0.000 2.464 123 D HA 0.213 4.853 4.640 0.001 0.000 0.243 123 D C -1.819 174.458 176.300 -0.037 0.000 1.104 123 D CA -2.685 51.292 54.000 -0.037 0.000 0.883 123 D CB 1.911 42.687 40.800 -0.040 0.000 1.050 123 D HN -0.070 nan 8.370 nan 0.000 0.524 124 P HA -0.140 nan 4.420 nan 0.000 0.218 124 P C 1.144 178.425 177.300 -0.033 0.000 1.148 124 P CA 0.797 63.878 63.100 -0.032 0.000 0.822 124 P CB 0.637 32.322 31.700 -0.024 0.000 0.784 125 E N -0.200 119.983 120.200 -0.029 0.000 2.107 125 E HA -0.108 4.242 4.350 0.001 0.000 0.191 125 E C 1.546 178.128 176.600 -0.031 0.000 0.982 125 E CA 1.779 58.164 56.400 -0.026 0.000 0.809 125 E CB 0.004 29.691 29.700 -0.021 0.000 0.756 125 E HN 0.284 nan 8.360 nan 0.000 0.459 126 T N -1.334 113.199 114.554 -0.036 0.000 3.001 126 T HA 0.119 4.469 4.350 0.001 0.000 0.251 126 T C 0.870 175.533 174.700 -0.061 0.000 1.040 126 T CA -0.224 61.852 62.100 -0.041 0.000 0.985 126 T CB -0.339 68.509 68.868 -0.033 0.000 1.011 126 T HN 0.097 nan 8.240 nan 0.000 0.509 127 L N 2.529 123.710 121.223 -0.070 0.000 2.499 127 L HA 0.627 4.968 4.340 0.001 0.000 0.281 127 L C -0.017 176.763 176.870 -0.150 0.000 1.234 127 L CA -1.095 53.685 54.840 -0.099 0.000 0.839 127 L CB -0.056 41.952 42.059 -0.085 0.000 1.104 127 L HN 0.133 nan 8.230 nan 0.000 0.500 128 V N -0.181 119.586 119.914 -0.245 0.000 2.667 128 V HA 0.737 4.857 4.120 0.001 0.000 0.308 128 V C 1.157 176.981 176.094 -0.449 0.000 1.048 128 V CA -0.034 62.001 62.300 -0.441 0.000 0.928 128 V CB 0.807 32.136 31.823 -0.823 0.000 1.004 128 V HN 1.004 nan 8.190 nan 0.000 0.444 129 G N 2.315 110.889 108.800 -0.376 0.000 2.440 129 G HA2 -0.259 3.701 3.960 0.001 0.000 0.218 129 G HA3 -0.259 3.701 3.960 0.001 0.000 0.218 129 G C 0.990 175.791 174.900 -0.166 0.000 1.154 129 G CA 1.544 46.523 45.100 -0.202 0.000 0.767 129 G HN 1.195 nan 8.290 nan 0.000 0.552 130 Y N 1.691 121.973 120.300 -0.030 0.000 2.639 130 Y HA 0.079 4.629 4.550 0.001 0.000 0.297 130 Y C 2.556 178.436 175.900 -0.032 0.000 1.151 130 Y CA 0.559 58.636 58.100 -0.038 0.000 1.335 130 Y CB -0.863 37.570 38.460 -0.045 0.000 0.994 130 Y HN 0.230 nan 8.280 nan 0.000 0.548 131 S N -0.386 115.261 115.700 -0.087 0.000 2.453 131 S HA -0.211 4.259 4.470 0.001 0.000 0.231 131 S C 1.802 176.395 174.600 -0.011 0.000 1.005 131 S CA 0.945 59.133 58.200 -0.021 0.000 0.949 131 S CB -0.424 62.736 63.200 -0.066 0.000 0.774 131 S HN 0.559 nan 8.310 nan 0.000 0.510 132 M N 2.080 121.666 119.600 -0.023 0.000 2.200 132 M HA 0.131 4.611 4.480 0.001 0.000 0.265 132 M C 1.825 178.119 176.300 -0.011 0.000 1.066 132 M CA 1.295 56.585 55.300 -0.017 0.000 1.127 132 M CB -0.568 32.018 32.600 -0.023 0.000 1.379 132 M HN 0.152 nan 8.290 nan 0.000 0.420 133 V N 0.065 119.979 119.914 0.000 0.000 2.626 133 V HA -0.096 4.024 4.120 0.001 0.000 0.252 133 V C 2.228 178.304 176.094 -0.031 0.000 1.067 133 V CA 1.793 64.083 62.300 -0.018 0.000 1.081 133 V CB -1.404 30.412 31.823 -0.012 0.000 0.686 133 V HN 0.724 nan 8.190 nan 0.000 0.468 134 G N -2.708 106.084 108.800 -0.014 0.000 3.020 134 G HA2 -0.006 3.954 3.960 0.001 0.000 0.217 134 G HA3 -0.006 3.954 3.960 0.001 0.000 0.217 134 G C 1.104 175.977 174.900 -0.044 0.000 1.144 134 G CA 0.925 45.999 45.100 -0.042 0.000 0.760 134 G HN 0.547 nan 8.290 nan 0.000 0.548 135 C N -0.714 118.573 119.300 -0.022 0.000 3.480 135 C HA 0.273 4.733 4.460 0.001 0.000 0.480 135 C C 0.834 175.821 174.990 -0.004 0.000 1.410 135 C CA -0.731 58.280 59.018 -0.012 0.000 2.172 135 C CB -0.087 27.655 27.740 0.004 0.000 3.162 135 C HN 0.484 nan 8.230 nan 0.000 0.635 136 Q N 2.213 122.009 119.800 -0.006 0.000 2.304 136 Q HA 0.055 4.396 4.340 0.001 0.000 0.301 136 Q C 1.196 177.197 176.000 0.000 0.000 1.063 136 Q CA 0.763 56.565 55.803 -0.002 0.000 0.947 136 Q CB 0.347 29.082 28.738 -0.006 0.000 1.201 136 Q HN 0.417 nan 8.270 nan 0.000 0.389 137 R N 3.056 123.562 120.500 0.009 0.000 2.119 137 R HA -0.269 4.072 4.340 0.001 0.000 0.246 137 R C 1.716 178.022 176.300 0.011 0.000 1.146 137 R CA 1.832 57.940 56.100 0.013 0.000 0.962 137 R CB -0.607 29.706 30.300 0.022 0.000 0.863 137 R HN 0.877 nan 8.270 nan 0.000 0.442 138 A N 0.299 123.122 122.820 0.006 0.000 1.972 138 A HA -0.164 4.157 4.320 0.001 0.000 0.219 138 A C 2.038 179.623 177.584 0.002 0.000 1.169 138 A CA 1.283 53.322 52.037 0.003 0.000 0.635 138 A CB -0.295 18.704 19.000 -0.001 0.000 0.810 138 A HN 0.220 nan 8.150 nan 0.000 0.446 139 M N -0.892 118.705 119.600 -0.004 0.000 2.279 139 M HA -0.098 4.382 4.480 0.001 0.000 0.264 139 M C 1.899 178.200 176.300 0.001 0.000 1.062 139 M CA 1.066 56.361 55.300 -0.009 0.000 1.099 139 M CB -1.110 31.474 32.600 -0.027 0.000 1.394 139 M HN 0.353 nan 8.290 nan 0.000 0.426 140 M N -0.341 119.261 119.600 0.002 0.000 2.202 140 M HA -0.134 4.347 4.480 0.001 0.000 0.262 140 M C 2.167 178.490 176.300 0.038 0.000 1.063 140 M CA 1.730 57.035 55.300 0.009 0.000 1.097 140 M CB -1.541 31.068 32.600 0.014 0.000 1.382 140 M HN 0.324 nan 8.290 nan 0.000 0.413 141 A N -0.157 122.685 122.820 0.038 0.000 1.920 141 A HA 0.031 4.352 4.320 0.001 0.000 0.209 141 A C 1.938 179.565 177.584 0.071 0.000 1.229 141 A CA 0.685 52.752 52.037 0.050 0.000 0.671 141 A CB -0.607 18.395 19.000 0.003 0.000 0.886 141 A HN 0.510 nan 8.150 nan 0.000 0.461 142 N N -0.531 118.198 118.700 0.048 0.000 2.166 142 N HA -0.191 4.549 4.740 0.001 0.000 0.186 142 N C 1.961 177.548 175.510 0.128 0.000 1.019 142 N CA 1.136 54.227 53.050 0.068 0.000 0.856 142 N CB -0.075 38.430 38.487 0.029 0.000 0.993 142 N HN 0.277 nan 8.380 nan 0.000 0.426 143 R N 1.643 122.206 120.500 0.104 0.000 2.115 143 R HA 0.023 4.363 4.340 0.001 0.000 0.230 143 R C 1.834 178.290 176.300 0.260 0.000 1.111 143 R CA 1.011 57.199 56.100 0.146 0.000 0.976 143 R CB -0.546 29.782 30.300 0.046 0.000 0.870 143 R HN 0.244 nan 8.270 nan 0.000 0.445 144 L N -0.604 120.771 121.223 0.253 0.000 2.027 144 L HA -0.124 4.216 4.340 0.001 0.000 0.206 144 L C 2.236 179.346 176.870 0.401 0.000 1.074 144 L CA 1.685 56.776 54.840 0.417 0.000 0.745 144 L CB -0.626 41.663 42.059 0.383 0.000 0.898 144 L HN 0.163 nan 8.230 nan 0.000 0.433 145 S N -0.093 115.779 115.700 0.287 0.000 2.383 145 S HA -0.204 4.266 4.470 0.001 0.000 0.229 145 S C 1.757 176.437 174.600 0.132 0.000 1.030 145 S CA 1.451 59.786 58.200 0.224 0.000 1.002 145 S CB -0.433 62.877 63.200 0.183 0.000 0.829 145 S HN 0.343 nan 8.310 nan 0.000 0.467 146 F N 1.594 121.578 119.950 0.058 0.000 2.075 146 F HA -0.088 4.440 4.527 0.001 0.000 0.297 146 F C 1.916 177.703 175.800 -0.022 0.000 1.113 146 F CA 1.300 59.313 58.000 0.022 0.000 1.218 146 F CB -0.596 38.429 39.000 0.041 0.000 0.984 146 F HN 0.217 nan 8.300 nan 0.000 0.472 147 F N 0.041 119.916 119.950 -0.125 0.000 2.102 147 F HA -0.163 4.365 4.527 0.001 0.000 0.298 147 F C 1.718 177.182 175.800 -0.559 0.000 1.105 147 F CA 1.650 59.426 58.000 -0.373 0.000 1.239 147 F CB -0.933 37.898 39.000 -0.282 0.000 0.991 147 F HN -0.045 nan 8.300 nan 0.000 0.474 148 F N 0.564 120.191 119.950 -0.538 0.000 2.811 148 F HA 0.088 4.615 4.527 0.001 0.000 0.301 148 F C 0.868 176.162 175.800 -0.843 0.000 1.151 148 F CA 0.838 58.297 58.000 -0.902 0.000 1.412 148 F CB -0.834 37.295 39.000 -1.451 0.000 1.113 148 F HN -0.032 nan 8.300 nan 0.000 0.579 149 D N 0.003 120.133 120.400 -0.450 0.000 2.699 149 D HA -0.243 4.397 4.640 0.001 0.000 0.239 149 D C -0.849 175.466 176.300 0.026 0.000 1.136 149 D CA 0.332 54.194 54.000 -0.231 0.000 0.668 149 D CB -1.435 39.231 40.800 -0.224 0.000 1.060 149 D HN -0.059 nan 8.370 nan 0.000 0.429 150 F N 0.117 120.087 119.950 0.033 0.000 2.404 150 F HA 0.430 4.958 4.527 0.001 0.000 0.345 150 F C 1.908 177.678 175.800 -0.051 0.000 1.110 150 F CA -0.722 57.280 58.000 0.003 0.000 1.130 150 F CB 1.123 40.134 39.000 0.017 0.000 1.129 150 F HN -0.055 nan 8.300 nan 0.000 0.500 151 R N 1.266 121.821 120.500 0.092 0.000 2.437 151 R HA 0.237 4.578 4.340 0.001 0.000 0.257 151 R C 0.893 176.966 176.300 -0.377 0.000 0.927 151 R CA -0.042 56.030 56.100 -0.047 0.000 1.078 151 R CB 0.491 30.822 30.300 0.050 0.000 1.161 151 R HN 0.762 nan 8.270 nan 0.000 0.529 152 G N 2.425 110.903 108.800 -0.537 0.000 2.535 152 G HA2 0.285 4.245 3.960 0.001 0.000 0.282 152 G HA3 0.285 4.245 3.960 0.001 0.000 0.282 152 G C -2.402 172.212 174.900 -0.475 0.000 1.350 152 G CA -0.951 43.603 45.100 -0.910 0.000 1.039 152 G HN -0.116 nan 8.290 nan 0.000 0.509 153 P HA 0.182 nan 4.420 nan 0.000 0.266 153 P C -0.489 176.469 177.300 -0.571 0.000 1.193 153 P CA 0.234 63.076 63.100 -0.430 0.000 0.770 153 P CB 1.090 32.499 31.700 -0.485 0.000 0.836 154 S N 2.576 118.038 115.700 -0.397 0.000 2.746 154 S HA 0.611 5.081 4.470 0.001 0.000 0.273 154 S C -0.977 173.474 174.600 -0.248 0.000 1.172 154 S CA -0.565 57.454 58.200 -0.302 0.000 1.116 154 S CB -0.595 62.534 63.200 -0.118 0.000 1.057 154 S HN 0.219 nan 8.310 nan 0.000 0.483 155 I N 3.194 123.576 120.570 -0.314 0.000 2.619 155 I HA 0.618 4.788 4.170 0.001 0.000 0.292 155 I C -0.209 175.882 176.117 -0.043 0.000 1.100 155 I CA -0.968 60.229 61.300 -0.172 0.000 1.043 155 I CB 2.174 40.050 38.000 -0.207 0.000 1.239 155 I HN 0.635 nan 8.210 nan 0.000 0.420 156 A N 6.893 129.719 122.820 0.010 0.000 2.288 156 A HA 0.869 5.190 4.320 0.001 0.000 0.320 156 A C -0.826 176.800 177.584 0.071 0.000 1.217 156 A CA -0.399 51.667 52.037 0.048 0.000 0.840 156 A CB 0.690 19.710 19.000 0.034 0.000 1.179 156 A HN 0.610 nan 8.150 nan 0.000 0.504 157 L N -0.303 120.979 121.223 0.098 0.000 2.354 157 L HA 0.924 5.264 4.340 0.001 0.000 0.264 157 L C -0.862 176.053 176.870 0.074 0.000 1.008 157 L CA -0.699 54.198 54.840 0.095 0.000 0.819 157 L CB 2.033 44.173 42.059 0.136 0.000 1.339 157 L HN 0.378 nan 8.230 nan 0.000 0.420 158 D N 0.578 121.011 120.400 0.056 0.000 2.505 158 D HA 0.445 5.086 4.640 0.001 0.000 0.250 158 D C -0.188 176.123 176.300 0.019 0.000 1.164 158 D CA 0.025 54.050 54.000 0.041 0.000 0.870 158 D CB 1.875 42.697 40.800 0.037 0.000 1.160 158 D HN 0.850 nan 8.370 nan 0.000 0.549 159 T N 1.120 115.680 114.554 0.010 0.000 3.339 159 T HA 0.631 4.982 4.350 0.001 0.000 0.292 159 T C 0.881 175.546 174.700 -0.059 0.000 1.012 159 T CA 0.463 62.549 62.100 -0.024 0.000 0.937 159 T CB 0.101 68.967 68.868 -0.003 0.000 1.164 159 T HN 0.663 nan 8.240 nan 0.000 0.509 160 A N 0.829 123.624 122.820 -0.041 0.000 5.457 160 A HA -0.277 4.043 4.320 0.001 0.000 0.283 160 A C 1.888 179.512 177.584 0.066 0.000 2.087 160 A CA 0.777 52.804 52.037 -0.017 0.000 0.716 160 A CB -2.080 16.741 19.000 -0.298 0.000 1.174 160 A HN 0.948 nan 8.150 nan 0.000 0.356 161 C N 0.634 120.010 119.300 0.126 0.000 2.411 161 C HA 0.114 4.574 4.460 0.001 0.000 0.279 161 C C 2.887 177.956 174.990 0.132 0.000 1.288 161 C CA 1.763 60.893 59.018 0.187 0.000 1.764 161 C CB -1.773 26.190 27.740 0.372 0.000 1.974 161 C HN 1.484 nan 8.230 nan 0.000 0.498 162 S N 0.631 116.367 115.700 0.060 0.000 2.631 162 S HA 0.032 4.502 4.470 0.001 0.000 0.217 162 S C 1.333 175.955 174.600 0.035 0.000 0.958 162 S CA 0.618 58.835 58.200 0.028 0.000 0.920 162 S CB -0.409 62.797 63.200 0.009 0.000 0.776 162 S HN 0.558 nan 8.310 nan 0.000 0.517 163 S N 3.015 118.743 115.700 0.047 0.000 2.359 163 S HA -0.176 4.295 4.470 0.001 0.000 0.223 163 S C 2.348 176.983 174.600 0.058 0.000 1.039 163 S CA 1.851 60.083 58.200 0.053 0.000 1.042 163 S CB -0.674 62.561 63.200 0.059 0.000 0.915 163 S HN 0.916 nan 8.310 nan 0.000 0.439 164 S N 1.048 116.780 115.700 0.055 0.000 2.406 164 S HA 0.063 4.533 4.470 0.001 0.000 0.228 164 S C 1.763 176.385 174.600 0.036 0.000 1.020 164 S CA 0.570 58.803 58.200 0.054 0.000 0.965 164 S CB -0.385 62.844 63.200 0.049 0.000 0.798 164 S HN 0.272 nan 8.310 nan 0.000 0.488 165 L N 0.493 121.729 121.223 0.021 0.000 2.240 165 L HA 0.343 4.683 4.340 0.001 0.000 0.211 165 L C 2.443 179.306 176.870 -0.012 0.000 1.106 165 L CA 1.415 56.252 54.840 -0.004 0.000 0.793 165 L CB -0.708 41.338 42.059 -0.021 0.000 0.927 165 L HN 0.409 nan 8.230 nan 0.000 0.446 166 M N -0.919 118.685 119.600 0.006 0.000 2.229 166 M HA -0.041 4.439 4.480 0.001 0.000 0.264 166 M C 2.131 178.422 176.300 -0.014 0.000 1.063 166 M CA 1.835 57.137 55.300 0.003 0.000 1.114 166 M CB -0.423 32.194 32.600 0.028 0.000 1.387 166 M HN 0.200 nan 8.290 nan 0.000 0.420 167 A N -0.073 122.762 122.820 0.025 0.000 1.873 167 A HA -0.113 4.207 4.320 0.001 0.000 0.215 167 A C 2.123 179.650 177.584 -0.095 0.000 1.186 167 A CA 1.721 53.784 52.037 0.044 0.000 0.616 167 A CB -1.176 17.924 19.000 0.166 0.000 0.823 167 A HN 0.557 nan 8.150 nan 0.000 0.442 168 L N -0.411 120.784 121.223 -0.047 0.000 2.042 168 L HA -0.236 4.104 4.340 0.001 0.000 0.210 168 L C 2.568 179.370 176.870 -0.114 0.000 1.076 168 L CA 2.545 57.344 54.840 -0.069 0.000 0.749 168 L CB -0.509 41.528 42.059 -0.036 0.000 0.893 168 L HN 0.531 nan 8.230 nan 0.000 0.432 169 Q N -0.383 119.354 119.800 -0.105 0.000 2.084 169 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 169 Q C 1.963 177.890 176.000 -0.122 0.000 0.978 169 Q CA 1.982 57.742 55.803 -0.073 0.000 0.844 169 Q CB -0.220 28.486 28.738 -0.054 0.000 0.898 169 Q HN 0.596 nan 8.270 nan 0.000 0.426 170 N N 0.643 119.165 118.700 -0.297 0.000 2.166 170 N HA -0.104 4.636 4.740 0.001 0.000 0.186 170 N C 1.585 176.524 175.510 -0.951 0.000 1.019 170 N CA 1.586 54.316 53.050 -0.533 0.000 0.856 170 N CB -0.491 37.623 38.487 -0.621 0.000 0.993 170 N HN 0.338 nan 8.380 nan 0.000 0.426 171 A N -0.008 122.153 122.820 -1.098 0.000 1.898 171 A HA -0.157 4.164 4.320 0.001 0.000 0.216 171 A C 2.139 179.482 177.584 -0.401 0.000 1.181 171 A CA 1.094 52.512 52.037 -1.031 0.000 0.620 171 A CB -1.045 17.661 19.000 -0.490 0.000 0.819 171 A HN 0.436 nan 8.150 nan 0.000 0.442 172 Y N 0.795 120.909 120.300 -0.309 0.000 2.128 172 Y HA -0.295 4.255 4.550 0.001 0.000 0.284 172 Y C 2.438 178.275 175.900 -0.106 0.000 1.154 172 Y CA 2.413 60.419 58.100 -0.157 0.000 1.149 172 Y CB -0.520 37.859 38.460 -0.135 0.000 0.976 172 Y HN 0.443 nan 8.280 nan 0.000 0.505 173 Q N 0.014 119.689 119.800 -0.208 0.000 2.096 173 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 173 Q C 2.558 178.454 176.000 -0.174 0.000 0.982 173 Q CA 1.556 57.235 55.803 -0.207 0.000 0.850 173 Q CB -0.445 28.254 28.738 -0.065 0.000 0.901 173 Q HN 0.644 nan 8.270 nan 0.000 0.422 174 A N 0.669 123.380 122.820 -0.181 0.000 1.933 174 A HA -0.164 4.157 4.320 0.001 0.000 0.218 174 A C 1.997 179.563 177.584 -0.030 0.000 1.175 174 A CA 1.189 53.202 52.037 -0.040 0.000 0.628 174 A CB -0.490 18.555 19.000 0.076 0.000 0.814 174 A HN 0.302 nan 8.150 nan 0.000 0.444 175 I N -1.941 118.571 120.570 -0.097 0.000 2.333 175 I HA -0.150 4.021 4.170 0.001 0.000 0.246 175 I C 2.444 178.492 176.117 -0.115 0.000 1.106 175 I CA 1.457 62.713 61.300 -0.073 0.000 1.411 175 I CB -0.436 37.528 38.000 -0.060 0.000 1.082 175 I HN 0.512 nan 8.210 nan 0.000 0.420 176 H N 1.151 120.020 119.070 -0.334 0.000 2.422 176 H HA -0.155 4.401 4.556 0.001 0.000 0.298 176 H C 2.236 177.449 175.328 -0.192 0.000 1.098 176 H CA 1.846 57.687 56.048 -0.346 0.000 1.315 176 H CB 0.074 29.420 29.762 -0.694 0.000 1.382 176 H HN 0.318 nan 8.280 nan 0.000 0.523 177 S N -1.394 114.194 115.700 -0.187 0.000 2.593 177 S HA 0.184 4.654 4.470 0.001 0.000 0.217 177 S C 1.751 176.280 174.600 -0.118 0.000 0.966 177 S CA 0.347 58.452 58.200 -0.158 0.000 0.914 177 S CB -0.129 63.039 63.200 -0.054 0.000 0.776 177 S HN 0.790 nan 8.310 nan 0.000 0.523 178 G N 1.283 110.019 108.800 -0.107 0.000 2.159 178 G HA2 -0.380 3.580 3.960 0.001 0.000 0.256 178 G HA3 -0.380 3.580 3.960 0.001 0.000 0.256 178 G C 0.649 175.534 174.900 -0.024 0.000 0.977 178 G CA 0.527 45.587 45.100 -0.067 0.000 0.652 178 G HN 0.588 nan 8.290 nan 0.000 0.531 179 Q N -0.804 119.001 119.800 0.009 0.000 2.123 179 Q HA 0.095 4.436 4.340 0.001 0.000 0.199 179 Q C 0.875 176.961 176.000 0.144 0.000 0.966 179 Q CA 1.586 57.427 55.803 0.065 0.000 0.845 179 Q CB 0.023 28.831 28.738 0.118 0.000 0.907 179 Q HN 0.655 nan 8.270 nan 0.000 0.439 180 C N 0.633 120.015 119.300 0.137 0.000 2.563 180 C HA 0.402 4.863 4.460 0.001 0.000 0.314 180 C C -1.650 173.378 174.990 0.063 0.000 1.199 180 C CA -1.337 57.775 59.018 0.156 0.000 1.564 180 C CB 1.945 29.799 27.740 0.191 0.000 2.173 180 C HN 0.390 nan 8.230 nan 0.000 0.485 181 P HA 0.128 nan 4.420 nan 0.000 0.230 181 P C 0.051 177.342 177.300 -0.015 0.000 1.168 181 P CA 0.960 64.062 63.100 0.004 0.000 0.793 181 P CB 0.584 32.285 31.700 0.001 0.000 0.851 182 A N -0.957 121.845 122.820 -0.030 0.000 2.588 182 A HA 0.773 5.093 4.320 0.001 0.000 0.290 182 A C -1.728 175.822 177.584 -0.057 0.000 1.136 182 A CA -0.162 51.839 52.037 -0.060 0.000 0.681 182 A CB 1.348 20.278 19.000 -0.116 0.000 1.282 182 A HN 0.147 nan 8.150 nan 0.000 0.421 183 A N 0.076 122.869 122.820 -0.046 0.000 2.589 183 A HA 0.656 4.976 4.320 0.001 0.000 0.296 183 A C -1.627 175.969 177.584 0.020 0.000 1.062 183 A CA -0.376 51.684 52.037 0.038 0.000 0.686 183 A CB 0.900 20.050 19.000 0.249 0.000 1.282 183 A HN 0.817 nan 8.150 nan 0.000 0.404 184 I N 1.956 122.559 120.570 0.055 0.000 2.354 184 I HA 0.451 4.621 4.170 0.001 0.000 0.292 184 I C -0.456 175.776 176.117 0.191 0.000 0.989 184 I CA -0.575 60.779 61.300 0.091 0.000 1.188 184 I CB 1.208 39.269 38.000 0.101 0.000 1.342 184 I HN 0.323 nan 8.210 nan 0.000 0.457 185 V N 5.715 125.720 119.914 0.152 0.000 2.409 185 V HA 0.762 4.882 4.120 0.001 0.000 0.291 185 V C 0.491 176.659 176.094 0.124 0.000 1.020 185 V CA -0.478 61.920 62.300 0.165 0.000 0.848 185 V CB 1.657 33.548 31.823 0.113 0.000 0.990 185 V HN 0.922 nan 8.190 nan 0.000 0.430 186 G N 2.410 111.289 108.800 0.131 0.000 2.498 186 G HA2 0.754 4.715 3.960 0.001 0.000 0.312 186 G HA3 0.754 4.715 3.960 0.001 0.000 0.312 186 G C -0.500 174.449 174.900 0.082 0.000 1.230 186 G CA -0.648 44.511 45.100 0.097 0.000 0.968 186 G HN 1.053 nan 8.290 nan 0.000 0.481 187 G N -0.072 108.762 108.800 0.057 0.000 2.739 187 G HA2 0.621 4.581 3.960 0.001 0.000 0.291 187 G HA3 0.621 4.581 3.960 0.001 0.000 0.291 187 G C -0.709 174.208 174.900 0.029 0.000 1.478 187 G CA -0.589 44.538 45.100 0.045 0.000 1.062 187 G HN 1.078 nan 8.290 nan 0.000 0.532 188 I N -0.400 120.187 120.570 0.028 0.000 2.647 188 I HA 0.803 4.973 4.170 0.001 0.000 0.295 188 I C -1.435 174.692 176.117 0.017 0.000 1.078 188 I CA -1.276 60.033 61.300 0.015 0.000 1.048 188 I CB 2.897 40.904 38.000 0.012 0.000 1.239 188 I HN 0.337 nan 8.210 nan 0.000 0.421 189 N N 3.919 122.624 118.700 0.008 0.000 2.493 189 N HA 0.657 5.397 4.740 0.001 0.000 0.279 189 N C -1.482 174.037 175.510 0.014 0.000 1.082 189 N CA -0.455 52.604 53.050 0.015 0.000 0.963 189 N CB 2.445 40.934 38.487 0.004 0.000 1.627 189 N HN 0.759 nan 8.380 nan 0.000 0.499 190 V N 0.355 120.288 119.914 0.031 0.000 3.001 190 V HA 0.689 4.809 4.120 0.001 0.000 0.314 190 V C -0.663 175.471 176.094 0.067 0.000 1.099 190 V CA -0.917 61.404 62.300 0.035 0.000 0.989 190 V CB 2.036 33.880 31.823 0.037 0.000 1.040 190 V HN 0.498 nan 8.190 nan 0.000 0.434 191 L N 3.277 124.541 121.223 0.068 0.000 2.387 191 L HA 0.461 4.801 4.340 0.001 0.000 0.259 191 L C 0.467 177.470 176.870 0.221 0.000 1.050 191 L CA -0.161 54.767 54.840 0.147 0.000 0.922 191 L CB 0.914 43.021 42.059 0.080 0.000 1.280 191 L HN 0.672 nan 8.230 nan 0.000 0.449 192 L N 0.712 122.073 121.223 0.230 0.000 2.357 192 L HA 0.204 4.544 4.340 0.001 0.000 0.211 192 L C 1.052 178.081 176.870 0.265 0.000 1.075 192 L CA 0.357 55.373 54.840 0.293 0.000 0.830 192 L CB 0.147 42.383 42.059 0.294 0.000 0.996 192 L HN 0.413 nan 8.230 nan 0.000 0.467 193 K N 1.622 121.941 120.400 -0.135 0.000 2.281 193 K HA 0.222 4.542 4.320 0.001 0.000 0.272 193 K C -1.843 174.494 176.600 -0.437 0.000 1.048 193 K CA -1.870 54.047 56.287 -0.617 0.000 0.898 193 K CB 1.735 33.579 32.500 -1.093 0.000 1.128 193 K HN -0.242 nan 8.250 nan 0.000 0.460 194 P HA -0.116 nan 4.420 nan 0.000 0.220 194 P C -0.022 176.973 177.300 -0.508 0.000 1.148 194 P CA 1.151 63.528 63.100 -1.205 0.000 0.803 194 P CB 0.169 31.111 31.700 -1.262 0.000 0.782 195 N N -0.404 118.107 118.700 -0.315 0.000 2.149 195 N HA -0.127 4.614 4.740 0.001 0.000 0.188 195 N C 1.649 177.031 175.510 -0.214 0.000 1.019 195 N CA 1.791 54.697 53.050 -0.239 0.000 0.857 195 N CB -1.711 36.653 38.487 -0.204 0.000 0.997 195 N HN 0.162 nan 8.380 nan 0.000 0.426 196 T N -0.167 114.265 114.554 -0.202 0.000 2.746 196 T HA -0.075 4.275 4.350 0.001 0.000 0.267 196 T C 2.017 176.701 174.700 -0.027 0.000 1.039 196 T CA 1.358 63.381 62.100 -0.128 0.000 1.142 196 T CB -0.375 68.469 68.868 -0.039 0.000 0.866 196 T HN 0.196 nan 8.240 nan 0.000 0.444 197 S N 0.656 116.370 115.700 0.024 0.000 2.402 197 S HA -0.050 4.420 4.470 0.001 0.000 0.229 197 S C 2.284 176.915 174.600 0.051 0.000 1.021 197 S CA 0.531 58.818 58.200 0.145 0.000 0.974 197 S CB -0.370 62.924 63.200 0.157 0.000 0.800 197 S HN 0.283 nan 8.310 nan 0.000 0.484 198 V N 1.757 121.634 119.914 -0.062 0.000 2.343 198 V HA -0.223 3.898 4.120 0.001 0.000 0.247 198 V C 2.450 178.485 176.094 -0.100 0.000 1.051 198 V CA 1.611 63.863 62.300 -0.081 0.000 1.036 198 V CB -0.709 31.024 31.823 -0.150 0.000 0.654 198 V HN 0.475 nan 8.190 nan 0.000 0.451 199 Q N -0.902 118.798 119.800 -0.166 0.000 2.061 199 Q HA -0.219 4.122 4.340 0.001 0.000 0.204 199 Q C 2.173 178.034 176.000 -0.232 0.000 0.984 199 Q CA 2.086 57.742 55.803 -0.246 0.000 0.846 199 Q CB -0.239 28.268 28.738 -0.385 0.000 0.902 199 Q HN 0.608 nan 8.270 nan 0.000 0.421 200 F N 0.017 119.902 119.950 -0.110 0.000 2.186 200 F HA -0.170 4.358 4.527 0.001 0.000 0.299 200 F C 2.041 177.752 175.800 -0.148 0.000 1.090 200 F CA 0.601 58.513 58.000 -0.147 0.000 1.307 200 F CB -0.534 38.370 39.000 -0.159 0.000 1.019 200 F HN 0.109 nan 8.300 nan 0.000 0.489 201 L N 0.556 121.817 121.223 0.063 0.000 1.989 201 L HA -0.187 4.154 4.340 0.001 0.000 0.211 201 L C 2.368 179.229 176.870 -0.016 0.000 1.071 201 L CA 1.871 56.712 54.840 0.002 0.000 0.749 201 L CB -0.617 41.443 42.059 0.001 0.000 0.890 201 L HN -0.023 nan 8.230 nan 0.000 0.431 202 R N -1.070 119.411 120.500 -0.033 0.000 2.189 202 R HA -0.034 4.306 4.340 0.001 0.000 0.223 202 R C 2.179 178.459 176.300 -0.033 0.000 1.092 202 R CA 0.986 57.062 56.100 -0.040 0.000 0.989 202 R CB -0.258 30.006 30.300 -0.060 0.000 0.876 202 R HN 0.398 nan 8.270 nan 0.000 0.457 203 L N -0.800 120.404 121.223 -0.031 0.000 2.478 203 L HA 0.068 4.408 4.340 0.001 0.000 0.223 203 L C 1.020 177.891 176.870 0.001 0.000 1.140 203 L CA 0.657 55.487 54.840 -0.017 0.000 0.842 203 L CB 0.111 42.157 42.059 -0.022 0.000 0.953 203 L HN 0.495 nan 8.230 nan 0.000 0.452 204 G N -0.582 108.214 108.800 -0.007 0.000 2.137 204 G HA2 -0.321 3.640 3.960 0.001 0.000 0.237 204 G HA3 -0.321 3.640 3.960 0.001 0.000 0.237 204 G C 0.677 175.562 174.900 -0.025 0.000 1.002 204 G CA 0.486 45.579 45.100 -0.011 0.000 0.702 204 G HN 0.301 nan 8.290 nan 0.000 0.515 205 M N -0.545 119.026 119.600 -0.047 0.000 2.510 205 M HA 0.340 4.820 4.480 0.001 0.000 0.256 205 M C 1.069 177.151 176.300 -0.364 0.000 1.132 205 M CA 0.741 55.969 55.300 -0.120 0.000 1.105 205 M CB 0.255 32.822 32.600 -0.054 0.000 1.375 205 M HN 0.173 nan 8.290 nan 0.000 0.477 206 L N 0.319 121.355 121.223 -0.312 0.000 2.292 206 L HA 0.275 4.615 4.340 0.001 0.000 0.284 206 L C 0.513 177.276 176.870 -0.178 0.000 1.065 206 L CA -0.566 54.063 54.840 -0.352 0.000 0.806 206 L CB 1.340 43.256 42.059 -0.238 0.000 1.175 206 L HN -0.017 nan 8.230 nan 0.000 0.431 207 S N 3.595 119.204 115.700 -0.152 0.000 2.531 207 S HA 0.188 4.658 4.470 0.001 0.000 0.279 207 S C -1.509 173.054 174.600 -0.061 0.000 1.305 207 S CA -1.114 57.039 58.200 -0.078 0.000 1.058 207 S CB 1.000 64.165 63.200 -0.058 0.000 0.899 207 S HN 0.391 nan 8.310 nan 0.000 0.493 208 P HA 0.001 nan 4.420 nan 0.000 0.220 208 P C 0.297 177.582 177.300 -0.024 0.000 1.148 208 P CA 0.850 63.935 63.100 -0.026 0.000 0.803 208 P CB 0.105 31.794 31.700 -0.019 0.000 0.782 209 E N -0.975 119.204 120.200 -0.036 0.000 2.445 209 E HA 0.242 4.592 4.350 0.001 0.000 0.189 209 E C 1.161 177.732 176.600 -0.048 0.000 1.069 209 E CA 0.247 56.621 56.400 -0.044 0.000 0.871 209 E CB -1.117 28.546 29.700 -0.062 0.000 0.991 209 E HN 0.062 nan 8.360 nan 0.000 0.481 210 G N 1.301 110.079 108.800 -0.036 0.000 2.422 210 G HA2 -0.305 3.655 3.960 0.001 0.000 0.301 210 G HA3 -0.305 3.655 3.960 0.001 0.000 0.301 210 G C -0.018 174.866 174.900 -0.028 0.000 0.981 210 G CA 1.000 46.086 45.100 -0.023 0.000 0.994 210 G HN 0.231 nan 8.290 nan 0.000 0.514 211 T N -1.011 113.512 114.554 -0.052 0.000 2.916 211 T HA 0.398 4.749 4.350 0.001 0.000 0.298 211 T C -0.081 174.595 174.700 -0.039 0.000 1.031 211 T CA -0.457 61.594 62.100 -0.083 0.000 0.993 211 T CB 1.884 70.590 68.868 -0.269 0.000 1.045 211 T HN 0.287 nan 8.240 nan 0.000 0.454 212 C N 3.777 123.084 119.300 0.011 0.000 2.135 212 C HA 0.298 4.759 4.460 0.001 0.000 0.345 212 C C 1.104 176.086 174.990 -0.014 0.000 1.067 212 C CA -0.888 58.129 59.018 -0.002 0.000 1.517 212 C CB -1.416 26.310 27.740 -0.024 0.000 1.923 212 C HN 0.764 nan 8.230 nan 0.000 0.466 213 K N 2.358 122.737 120.400 -0.035 0.000 2.751 213 K HA 0.305 4.625 4.320 0.001 0.000 0.252 213 K C 0.753 177.313 176.600 -0.068 0.000 1.277 213 K CA -0.043 56.237 56.287 -0.011 0.000 1.226 213 K CB 0.086 32.583 32.500 -0.005 0.000 1.658 213 K HN 0.790 nan 8.250 nan 0.000 0.303 214 A N 1.272 123.949 122.820 -0.239 0.000 2.584 214 A HA 0.012 4.332 4.320 0.001 0.000 0.239 214 A C 0.358 177.633 177.584 -0.514 0.000 1.043 214 A CA 0.252 51.923 52.037 -0.609 0.000 0.756 214 A CB -0.661 17.651 19.000 -1.147 0.000 0.963 214 A HN 0.659 nan 8.150 nan 0.000 0.511 215 F N -1.033 118.944 119.950 0.046 0.000 2.825 215 F HA -0.197 4.330 4.527 0.001 0.000 0.358 215 F C 0.460 176.430 175.800 0.284 0.000 0.639 215 F CA 0.961 59.015 58.000 0.090 0.000 1.153 215 F CB -2.277 36.668 39.000 -0.091 0.000 1.610 215 F HN 0.736 nan 8.300 nan 0.000 0.305 216 D N 0.669 121.280 120.400 0.352 0.000 2.225 216 D HA 0.277 4.917 4.640 0.001 0.000 0.249 216 D C 1.184 177.562 176.300 0.129 0.000 1.052 216 D CA 0.579 54.721 54.000 0.236 0.000 0.909 216 D CB 1.783 42.666 40.800 0.138 0.000 1.186 216 D HN 0.059 nan 8.370 nan 0.000 0.431 217 T N 2.300 116.902 114.554 0.080 0.000 2.778 217 T HA -0.146 4.204 4.350 0.001 0.000 0.269 217 T C 1.537 176.262 174.700 0.043 0.000 1.050 217 T CA 1.472 63.605 62.100 0.055 0.000 1.137 217 T CB -0.022 68.864 68.868 0.030 0.000 0.860 217 T HN 0.535 nan 8.240 nan 0.000 0.468 218 A N 1.261 124.104 122.820 0.039 0.000 2.235 218 A HA 0.455 4.776 4.320 0.001 0.000 0.208 218 A C 1.506 179.102 177.584 0.020 0.000 1.172 218 A CA 0.187 52.240 52.037 0.026 0.000 0.786 218 A CB -0.693 18.323 19.000 0.027 0.000 0.804 218 A HN 0.467 nan 8.150 nan 0.000 0.479 219 G N 1.352 110.171 108.800 0.032 0.000 2.202 219 G HA2 0.259 4.220 3.960 0.001 0.000 0.251 219 G HA3 0.259 4.220 3.960 0.001 0.000 0.251 219 G C 0.154 175.063 174.900 0.016 0.000 1.219 219 G CA 0.292 45.404 45.100 0.021 0.000 0.943 219 G HN 0.594 nan 8.290 nan 0.000 0.465 220 N N 1.609 120.311 118.700 0.003 0.000 2.475 220 N HA 0.416 5.156 4.740 0.001 0.000 0.272 220 N C 0.412 175.916 175.510 -0.010 0.000 1.482 220 N CA 0.115 53.165 53.050 0.000 0.000 0.863 220 N CB 0.577 39.060 38.487 -0.006 0.000 1.400 220 N HN 1.173 nan 8.380 nan 0.000 0.489 221 G N 0.008 108.809 108.800 0.003 0.000 2.343 221 G HA2 0.177 4.138 3.960 0.001 0.000 0.465 221 G HA3 0.177 4.138 3.960 0.001 0.000 0.465 221 G C -1.693 173.228 174.900 0.034 0.000 1.282 221 G CA -0.608 44.487 45.100 -0.007 0.000 0.996 221 G HN 0.437 nan 8.290 nan 0.000 0.521 222 Y N -1.936 118.343 120.300 -0.035 0.000 2.621 222 Y HA 0.807 5.357 4.550 0.001 0.000 0.334 222 Y C 0.389 176.272 175.900 -0.029 0.000 1.074 222 Y CA -1.490 56.590 58.100 -0.034 0.000 1.149 222 Y CB 1.372 39.831 38.460 -0.001 0.000 1.302 222 Y HN 1.202 nan 8.280 nan 0.000 0.501 223 C N 3.608 123.062 119.300 0.257 0.000 2.298 223 C HA 0.596 5.056 4.460 0.001 0.000 0.323 223 C C -0.132 175.016 174.990 0.264 0.000 1.284 223 C CA -0.719 58.385 59.018 0.142 0.000 1.577 223 C CB -0.319 27.475 27.740 0.090 0.000 2.249 223 C HN 0.985 nan 8.230 nan 0.000 0.497 224 R N 4.321 124.917 120.500 0.160 0.000 2.537 224 R HA 0.458 4.798 4.340 0.001 0.000 0.280 224 R C 0.103 176.450 176.300 0.079 0.000 1.058 224 R CA 0.263 56.453 56.100 0.149 0.000 1.057 224 R CB 0.884 31.247 30.300 0.104 0.000 0.973 224 R HN 0.847 nan 8.270 nan 0.000 0.438 225 S N 1.069 116.794 115.700 0.041 0.000 2.661 225 S HA 0.330 4.800 4.470 0.001 0.000 0.285 225 S C -0.924 173.674 174.600 -0.003 0.000 1.138 225 S CA -0.991 57.221 58.200 0.019 0.000 0.855 225 S CB 2.271 65.491 63.200 0.034 0.000 1.136 225 S HN 0.481 nan 8.310 nan 0.000 0.484 226 E N -0.222 119.971 120.200 -0.011 0.000 2.222 226 E HA 0.729 5.080 4.350 0.001 0.000 0.267 226 E C -0.325 176.258 176.600 -0.029 0.000 0.963 226 E CA -1.080 55.310 56.400 -0.016 0.000 0.837 226 E CB 1.859 31.546 29.700 -0.020 0.000 1.183 226 E HN 0.744 nan 8.360 nan 0.000 0.403 227 G N -0.217 108.564 108.800 -0.032 0.000 2.655 227 G HA2 0.423 4.383 3.960 0.001 0.000 0.296 227 G HA3 0.423 4.383 3.960 0.001 0.000 0.296 227 G C -1.687 173.191 174.900 -0.036 0.000 1.485 227 G CA -0.479 44.589 45.100 -0.052 0.000 0.869 227 G HN 0.286 nan 8.290 nan 0.000 0.540 228 V N 1.420 121.308 119.914 -0.043 0.000 2.462 228 V HA 0.609 4.729 4.120 0.001 0.000 0.288 228 V C -0.380 175.704 176.094 -0.017 0.000 1.020 228 V CA -0.610 61.679 62.300 -0.019 0.000 0.857 228 V CB 1.345 33.161 31.823 -0.013 0.000 1.013 228 V HN 0.759 nan 8.190 nan 0.000 0.431 229 V N 3.014 122.926 119.914 -0.004 0.000 2.823 229 V HA 0.977 5.098 4.120 0.001 0.000 0.312 229 V C 0.029 176.146 176.094 0.039 0.000 1.072 229 V CA -0.562 61.740 62.300 0.004 0.000 0.937 229 V CB 2.103 33.913 31.823 -0.021 0.000 1.013 229 V HN 0.962 nan 8.190 nan 0.000 0.430 230 A N 3.057 125.911 122.820 0.056 0.000 2.449 230 A HA 0.917 5.237 4.320 0.001 0.000 0.302 230 A C -1.406 176.220 177.584 0.070 0.000 1.048 230 A CA -0.579 51.503 52.037 0.075 0.000 0.708 230 A CB 2.070 21.129 19.000 0.098 0.000 1.274 230 A HN 0.687 nan 8.150 nan 0.000 0.410 231 V N 2.197 122.153 119.914 0.069 0.000 2.735 231 V HA 0.529 4.650 4.120 0.001 0.000 0.310 231 V C -0.991 175.145 176.094 0.069 0.000 1.061 231 V CA -0.586 61.754 62.300 0.067 0.000 0.913 231 V CB 1.825 33.679 31.823 0.051 0.000 1.005 231 V HN 0.904 nan 8.190 nan 0.000 0.428 232 L N 5.649 126.915 121.223 0.072 0.000 2.272 232 L HA 0.662 5.002 4.340 0.001 0.000 0.289 232 L C -1.034 175.867 176.870 0.051 0.000 1.032 232 L CA 0.169 55.036 54.840 0.045 0.000 0.810 232 L CB 1.087 43.164 42.059 0.031 0.000 1.205 232 L HN 0.495 nan 8.230 nan 0.000 0.422 233 L N 4.536 125.779 121.223 0.035 0.000 2.325 233 L HA 0.830 5.171 4.340 0.001 0.000 0.278 233 L C 0.155 177.033 176.870 0.014 0.000 1.023 233 L CA 0.085 54.949 54.840 0.039 0.000 0.811 233 L CB 2.046 44.130 42.059 0.042 0.000 1.249 233 L HN 0.880 nan 8.230 nan 0.000 0.431 234 T N -0.856 113.707 114.554 0.016 0.000 2.843 234 T HA 0.519 4.870 4.350 0.001 0.000 0.302 234 T C -0.810 173.895 174.700 0.008 0.000 1.232 234 T CA -1.169 60.929 62.100 -0.003 0.000 1.009 234 T CB 1.514 70.370 68.868 -0.020 0.000 1.254 234 T HN 0.564 nan 8.240 nan 0.000 0.504 235 K N 1.430 121.828 120.400 -0.002 0.000 2.295 235 K HA 0.270 4.591 4.320 0.001 0.000 0.270 235 K C 1.175 177.777 176.600 0.004 0.000 1.011 235 K CA -0.801 55.487 56.287 0.002 0.000 0.953 235 K CB 1.080 33.573 32.500 -0.011 0.000 0.956 235 K HN 0.776 nan 8.250 nan 0.000 0.477 236 K N 1.349 121.758 120.400 0.015 0.000 2.077 236 K HA -0.284 4.036 4.320 0.001 0.000 0.213 236 K C 2.002 178.605 176.600 0.006 0.000 1.051 236 K CA 2.526 58.823 56.287 0.016 0.000 0.929 236 K CB -0.321 32.193 32.500 0.024 0.000 0.715 236 K HN 0.840 nan 8.250 nan 0.000 0.451 237 S N 0.096 115.797 115.700 0.002 0.000 2.419 237 S HA -0.134 4.336 4.470 0.001 0.000 0.233 237 S C 1.715 176.308 174.600 -0.013 0.000 1.016 237 S CA 0.954 59.154 58.200 0.000 0.000 0.974 237 S CB -0.150 63.050 63.200 -0.001 0.000 0.786 237 S HN 0.217 nan 8.310 nan 0.000 0.492 238 L N 1.199 122.408 121.223 -0.023 0.000 2.509 238 L HA 0.481 4.822 4.340 0.001 0.000 0.222 238 L C 1.358 178.185 176.870 -0.072 0.000 1.123 238 L CA 0.183 54.998 54.840 -0.042 0.000 0.856 238 L CB -0.996 41.041 42.059 -0.037 0.000 0.985 238 L HN 0.420 nan 8.230 nan 0.000 0.456 239 A N -0.751 122.033 122.820 -0.061 0.000 2.371 239 A HA 0.414 4.734 4.320 0.001 0.000 0.257 239 A C 1.050 178.537 177.584 -0.162 0.000 1.089 239 A CA -0.281 51.703 52.037 -0.089 0.000 0.794 239 A CB 0.494 19.466 19.000 -0.047 0.000 1.029 239 A HN 0.113 nan 8.150 nan 0.000 0.488 240 R N 0.519 120.858 120.500 -0.269 0.000 2.119 240 R HA 0.156 4.496 4.340 0.001 0.000 0.202 240 R C 0.856 177.049 176.300 -0.179 0.000 1.114 240 R CA 0.595 56.358 56.100 -0.562 0.000 1.089 240 R CB -0.325 29.488 30.300 -0.813 0.000 1.000 240 R HN 0.783 nan 8.270 nan 0.000 0.487 241 R N 1.183 121.587 120.500 -0.161 0.000 2.540 241 R HA 0.454 4.795 4.340 0.001 0.000 0.287 241 R C -1.226 174.965 176.300 -0.182 0.000 0.980 241 R CA -0.279 55.728 56.100 -0.155 0.000 0.966 241 R CB 1.518 31.661 30.300 -0.262 0.000 1.106 241 R HN -0.161 nan 8.270 nan 0.000 0.480 242 V N 5.498 125.297 119.914 -0.192 0.000 2.447 242 V HA 0.199 4.320 4.120 0.001 0.000 0.292 242 V C -0.404 175.601 176.094 -0.148 0.000 1.021 242 V CA -0.582 61.646 62.300 -0.120 0.000 0.850 242 V CB 1.365 33.168 31.823 -0.032 0.000 1.005 242 V HN 0.844 nan 8.190 nan 0.000 0.426 243 Y N 3.051 123.347 120.300 -0.007 0.000 2.286 243 Y HA 0.487 5.038 4.550 0.001 0.000 0.293 243 Y C 1.221 177.110 175.900 -0.019 0.000 1.124 243 Y CA 1.084 59.171 58.100 -0.022 0.000 1.178 243 Y CB 0.336 38.787 38.460 -0.015 0.000 1.010 243 Y HN 0.720 nan 8.280 nan 0.000 0.536 244 A N -1.469 121.445 122.820 0.156 0.000 2.597 244 A HA 0.585 4.906 4.320 0.001 0.000 0.292 244 A C -0.949 176.677 177.584 0.071 0.000 1.057 244 A CA -0.733 51.357 52.037 0.089 0.000 0.674 244 A CB 0.403 19.453 19.000 0.084 0.000 1.278 244 A HN -0.118 nan 8.150 nan 0.000 0.416 245 T N 1.581 116.164 114.554 0.048 0.000 2.829 245 T HA 0.540 4.890 4.350 0.001 0.000 0.282 245 T C -0.018 174.702 174.700 0.032 0.000 0.990 245 T CA -0.060 62.070 62.100 0.049 0.000 1.028 245 T CB 0.487 69.380 68.868 0.042 0.000 0.951 245 T HN 0.419 nan 8.240 nan 0.000 0.460 246 I N 4.368 124.964 120.570 0.043 0.000 2.363 246 I HA 0.132 4.302 4.170 0.001 0.000 0.292 246 I C 1.261 177.352 176.117 -0.044 0.000 1.075 246 I CA -0.167 61.108 61.300 -0.041 0.000 1.333 246 I CB 0.668 38.622 38.000 -0.076 0.000 1.415 246 I HN 0.593 nan 8.210 nan 0.000 0.502 247 L N 5.117 126.291 121.223 -0.081 0.000 2.179 247 L HA 0.077 4.417 4.340 0.001 0.000 0.208 247 L C 0.665 177.474 176.870 -0.103 0.000 1.096 247 L CA 0.891 55.705 54.840 -0.044 0.000 0.779 247 L CB -0.257 41.781 42.059 -0.036 0.000 0.922 247 L HN 0.672 nan 8.230 nan 0.000 0.443 248 N N -1.142 117.400 118.700 -0.262 0.000 3.043 248 N HA 0.580 5.321 4.740 0.001 0.000 0.243 248 N C -1.983 173.221 175.510 -0.510 0.000 1.347 248 N CA -0.035 52.799 53.050 -0.360 0.000 0.896 248 N CB 2.017 40.447 38.487 -0.094 0.000 1.501 248 N HN -0.040 nan 8.380 nan 0.000 0.504 249 A N 0.338 122.825 122.820 -0.555 0.000 2.488 249 A HA 0.857 5.177 4.320 0.001 0.000 0.295 249 A C -0.530 176.970 177.584 -0.140 0.000 1.045 249 A CA 0.040 51.847 52.037 -0.383 0.000 0.703 249 A CB 1.183 19.849 19.000 -0.558 0.000 1.271 249 A HN 0.812 nan 8.150 nan 0.000 0.400 250 G N -0.525 108.248 108.800 -0.044 0.000 2.649 250 G HA2 0.775 4.736 3.960 0.001 0.000 0.290 250 G HA3 0.775 4.736 3.960 0.001 0.000 0.290 250 G C -1.047 173.873 174.900 0.034 0.000 1.426 250 G CA 0.162 45.268 45.100 0.010 0.000 0.794 250 G HN 1.257 nan 8.290 nan 0.000 0.483 251 T N -0.577 113.996 114.554 0.031 0.000 2.894 251 T HA 0.668 5.019 4.350 0.001 0.000 0.309 251 T C -1.145 173.567 174.700 0.020 0.000 1.208 251 T CA -0.587 61.534 62.100 0.036 0.000 1.016 251 T CB 1.749 70.634 68.868 0.029 0.000 1.192 251 T HN 1.252 nan 8.240 nan 0.000 0.491 252 N N 0.552 119.260 118.700 0.014 0.000 2.972 252 N HA 0.608 5.349 4.740 0.001 0.000 0.262 252 N C -1.699 173.803 175.510 -0.013 0.000 1.478 252 N CA -0.599 52.448 53.050 -0.006 0.000 0.841 252 N CB 1.502 39.975 38.487 -0.024 0.000 1.512 252 N HN 0.505 nan 8.380 nan 0.000 0.548 253 T N -0.380 114.162 114.554 -0.019 0.000 2.893 253 T HA 0.314 4.664 4.350 0.001 0.000 0.293 253 T C -0.158 174.525 174.700 -0.029 0.000 1.027 253 T CA -0.428 61.660 62.100 -0.021 0.000 0.988 253 T CB 1.673 70.539 68.868 -0.004 0.000 1.043 253 T HN 0.406 nan 8.240 nan 0.000 0.461 254 D N 1.349 121.726 120.400 -0.039 0.000 2.182 254 D HA 0.098 4.739 4.640 0.001 0.000 0.201 254 D C 1.561 177.858 176.300 -0.004 0.000 0.986 254 D CA 1.997 55.974 54.000 -0.038 0.000 0.847 254 D CB -0.366 40.412 40.800 -0.037 0.000 0.942 254 D HN 0.939 nan 8.370 nan 0.000 0.467 255 G N 0.248 109.058 108.800 0.018 0.000 2.525 255 G HA2 -0.295 3.665 3.960 0.001 0.000 0.248 255 G HA3 -0.295 3.665 3.960 0.001 0.000 0.248 255 G C -0.274 174.680 174.900 0.090 0.000 1.238 255 G CA -0.207 44.930 45.100 0.061 0.000 0.926 255 G HN 0.271 nan 8.290 nan 0.000 0.574 256 F N 2.363 122.314 119.950 0.002 0.000 2.443 256 F HA 0.681 5.209 4.527 0.001 0.000 0.353 256 F C 0.546 176.347 175.800 0.001 0.000 1.101 256 F CA -0.022 57.979 58.000 0.003 0.000 1.226 256 F CB 0.804 39.802 39.000 -0.004 0.000 1.140 256 F HN 0.475 nan 8.300 nan 0.000 0.557 257 K N 5.353 125.109 120.400 -1.074 0.000 2.482 257 K HA 0.161 4.482 4.320 0.001 0.000 0.251 257 K C 0.416 176.367 176.600 -1.083 0.000 0.936 257 K CA -0.801 55.012 56.287 -0.789 0.000 0.791 257 K CB 2.000 34.307 32.500 -0.322 0.000 1.213 257 K HN 0.519 nan 8.250 nan 0.000 0.428 258 E N 1.441 121.203 120.200 -0.730 0.000 2.153 258 E HA -0.190 4.160 4.350 0.001 0.000 0.194 258 E C 0.868 177.268 176.600 -0.333 0.000 0.988 258 E CA 1.606 57.762 56.400 -0.408 0.000 0.811 258 E CB 0.269 29.871 29.700 -0.164 0.000 0.746 258 E HN 0.509 nan 8.360 nan 0.000 0.466 259 Q N -0.443 119.098 119.800 -0.433 0.000 2.488 259 Q HA 0.167 4.507 4.340 0.001 0.000 0.211 259 Q C 0.705 176.608 176.000 -0.162 0.000 0.967 259 Q CA 0.691 56.260 55.803 -0.390 0.000 0.926 259 Q CB 0.473 28.659 28.738 -0.920 0.000 0.992 259 Q HN 0.255 nan 8.270 nan 0.000 0.506 260 G N -1.059 107.646 108.800 -0.159 0.000 2.515 260 G HA2 -0.181 3.779 3.960 0.001 0.000 0.686 260 G HA3 -0.181 3.779 3.960 0.001 0.000 0.686 260 G C 0.014 174.926 174.900 0.021 0.000 1.274 260 G CA -0.485 44.594 45.100 -0.035 0.000 0.874 260 G HN 0.066 nan 8.290 nan 0.000 0.631 261 V N 0.333 120.281 119.914 0.056 0.000 2.490 261 V HA -0.028 4.092 4.120 0.001 0.000 0.250 261 V C 2.755 178.937 176.094 0.146 0.000 1.061 261 V CA 3.813 66.163 62.300 0.084 0.000 1.064 261 V CB -0.466 31.411 31.823 0.091 0.000 0.670 261 V HN 1.842 nan 8.190 nan 0.000 0.461 262 T N -3.077 111.594 114.554 0.194 0.000 3.107 262 T HA 0.108 4.459 4.350 0.001 0.000 0.249 262 T C 0.363 175.188 174.700 0.208 0.000 1.096 262 T CA -0.231 62.017 62.100 0.246 0.000 1.012 262 T CB -0.496 68.534 68.868 0.271 0.000 0.977 262 T HN 0.354 nan 8.240 nan 0.000 0.527 263 F N 5.098 125.076 119.950 0.047 0.000 2.444 263 F HA 0.441 4.968 4.527 0.001 0.000 0.360 263 F C -2.415 173.387 175.800 0.004 0.000 1.106 263 F CA -3.146 54.867 58.000 0.021 0.000 1.170 263 F CB 1.013 40.001 39.000 -0.021 0.000 1.113 263 F HN -0.058 nan 8.300 nan 0.000 0.521 264 P HA 0.027 nan 4.420 nan 0.000 0.276 264 P C -0.978 176.189 177.300 -0.221 0.000 1.235 264 P CA -0.246 62.704 63.100 -0.250 0.000 0.772 264 P CB 1.512 33.075 31.700 -0.228 0.000 0.871 265 S N 2.290 117.942 115.700 -0.080 0.000 2.415 265 S HA 0.381 4.852 4.470 0.001 0.000 0.313 265 S C 1.758 176.278 174.600 -0.134 0.000 1.067 265 S CA -0.262 57.929 58.200 -0.015 0.000 1.099 265 S CB -0.517 62.689 63.200 0.010 0.000 0.991 265 S HN 0.541 nan 8.310 nan 0.000 0.491 266 G N 3.545 112.286 108.800 -0.097 0.000 2.450 266 G HA2 -0.178 3.783 3.960 0.001 0.000 0.220 266 G HA3 -0.178 3.783 3.960 0.001 0.000 0.220 266 G C 1.053 175.886 174.900 -0.111 0.000 1.130 266 G CA 0.686 45.714 45.100 -0.119 0.000 0.760 266 G HN 0.693 nan 8.290 nan 0.000 0.557 267 D N 0.643 121.001 120.400 -0.069 0.000 2.117 267 D HA -0.075 4.566 4.640 0.001 0.000 0.198 267 D C 2.563 178.808 176.300 -0.092 0.000 0.982 267 D CA 0.446 54.407 54.000 -0.064 0.000 0.828 267 D CB -0.023 40.758 40.800 -0.033 0.000 0.967 267 D HN 0.219 nan 8.370 nan 0.000 0.464 268 I N 1.094 121.599 120.570 -0.109 0.000 2.286 268 I HA -0.182 3.989 4.170 0.001 0.000 0.245 268 I C 2.319 178.324 176.117 -0.186 0.000 1.104 268 I CA 0.959 62.183 61.300 -0.126 0.000 1.397 268 I CB -1.031 36.901 38.000 -0.112 0.000 1.072 268 I HN 0.059 nan 8.210 nan 0.000 0.417 269 Q N 0.516 120.144 119.800 -0.287 0.000 2.096 269 Q HA -0.250 4.091 4.340 0.001 0.000 0.204 269 Q C 2.185 178.054 176.000 -0.218 0.000 0.982 269 Q CA 1.763 57.337 55.803 -0.382 0.000 0.850 269 Q CB -0.246 28.098 28.738 -0.655 0.000 0.901 269 Q HN 0.523 nan 8.270 nan 0.000 0.422 270 E N 1.027 121.122 120.200 -0.174 0.000 2.085 270 E HA -0.263 4.088 4.350 0.001 0.000 0.194 270 E C 1.941 178.452 176.600 -0.149 0.000 0.994 270 E CA 1.215 57.531 56.400 -0.140 0.000 0.801 270 E CB 0.074 29.712 29.700 -0.103 0.000 0.743 270 E HN 0.428 nan 8.360 nan 0.000 0.453 271 Q N 0.104 119.823 119.800 -0.134 0.000 2.124 271 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 271 Q C 2.336 178.246 176.000 -0.150 0.000 0.977 271 Q CA 1.238 56.964 55.803 -0.129 0.000 0.850 271 Q CB -0.130 28.550 28.738 -0.097 0.000 0.901 271 Q HN 0.263 nan 8.270 nan 0.000 0.429 272 L N 0.691 121.829 121.223 -0.142 0.000 2.017 272 L HA -0.159 4.182 4.340 0.001 0.000 0.208 272 L C 1.946 178.705 176.870 -0.185 0.000 1.073 272 L CA 1.605 56.374 54.840 -0.118 0.000 0.745 272 L CB -0.368 41.652 42.059 -0.065 0.000 0.894 272 L HN 0.186 nan 8.230 nan 0.000 0.432 273 I N -0.617 119.780 120.570 -0.287 0.000 2.163 273 I HA -0.326 3.845 4.170 0.001 0.000 0.243 273 I C 2.770 178.647 176.117 -0.401 0.000 1.085 273 I CA 1.718 62.736 61.300 -0.469 0.000 1.347 273 I CB -0.404 37.306 38.000 -0.483 0.000 1.044 273 I HN 0.312 nan 8.210 nan 0.000 0.408 274 R N 1.005 121.250 120.500 -0.425 0.000 2.073 274 R HA -0.193 4.148 4.340 0.001 0.000 0.234 274 R C 2.558 178.425 176.300 -0.721 0.000 1.134 274 R CA 2.033 57.662 56.100 -0.786 0.000 0.952 274 R CB -0.283 29.772 30.300 -0.409 0.000 0.850 274 R HN 0.460 nan 8.270 nan 0.000 0.433 275 S N 0.424 115.910 115.700 -0.357 0.000 2.400 275 S HA -0.135 4.336 4.470 0.001 0.000 0.232 275 S C 2.044 176.541 174.600 -0.172 0.000 1.025 275 S CA 1.184 59.251 58.200 -0.222 0.000 0.993 275 S CB -0.415 62.709 63.200 -0.125 0.000 0.808 275 S HN 0.384 nan 8.310 nan 0.000 0.478 276 L N 0.324 121.460 121.223 -0.145 0.000 2.072 276 L HA -0.010 4.331 4.340 0.001 0.000 0.205 276 L C 2.822 179.741 176.870 0.080 0.000 1.079 276 L CA 1.593 56.436 54.840 0.005 0.000 0.752 276 L CB -0.799 41.344 42.059 0.139 0.000 0.906 276 L HN 0.548 nan 8.230 nan 0.000 0.436 277 Y N -0.769 119.606 120.300 0.124 0.000 2.314 277 Y HA -0.069 4.482 4.550 0.001 0.000 0.293 277 Y C 2.331 178.288 175.900 0.096 0.000 1.129 277 Y CA 0.375 58.572 58.100 0.162 0.000 1.201 277 Y CB -1.083 37.538 38.460 0.270 0.000 0.999 277 Y HN 0.112 nan 8.280 nan 0.000 0.541 278 Q N 0.900 120.695 119.800 -0.008 0.000 2.050 278 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 278 Q C 2.487 178.527 176.000 0.067 0.000 0.980 278 Q CA 2.278 58.119 55.803 0.063 0.000 0.840 278 Q CB -0.255 28.440 28.738 -0.071 0.000 0.898 278 Q HN 0.706 nan 8.270 nan 0.000 0.424 279 S N -0.132 115.586 115.700 0.029 0.000 2.453 279 S HA 0.056 4.526 4.470 0.001 0.000 0.231 279 S C 1.852 176.489 174.600 0.061 0.000 1.005 279 S CA 0.629 58.853 58.200 0.039 0.000 0.949 279 S CB 0.092 63.304 63.200 0.021 0.000 0.774 279 S HN 0.330 nan 8.310 nan 0.000 0.510 280 A N 0.891 123.761 122.820 0.083 0.000 2.251 280 A HA 0.575 4.895 4.320 0.001 0.000 0.209 280 A C 1.662 179.298 177.584 0.086 0.000 1.187 280 A CA 0.377 52.462 52.037 0.080 0.000 0.823 280 A CB -1.133 17.918 19.000 0.085 0.000 0.846 280 A HN 1.490 nan 8.150 nan 0.000 0.486 281 G N -0.825 108.038 108.800 0.105 0.000 2.246 281 G HA2 -0.154 3.806 3.960 0.001 0.000 0.273 281 G HA3 -0.154 3.806 3.960 0.001 0.000 0.273 281 G C -0.038 174.918 174.900 0.093 0.000 1.055 281 G CA 0.348 45.504 45.100 0.094 0.000 0.851 281 G HN 0.788 nan 8.290 nan 0.000 0.500 282 V N 0.211 120.210 119.914 0.141 0.000 2.483 282 V HA 0.800 4.920 4.120 0.001 0.000 0.295 282 V C 0.759 176.907 176.094 0.091 0.000 1.035 282 V CA -0.310 62.046 62.300 0.093 0.000 0.896 282 V CB 1.748 33.623 31.823 0.088 0.000 0.986 282 V HN 1.091 nan 8.190 nan 0.000 0.447 283 A N 6.312 129.131 122.820 -0.002 0.000 2.327 283 A HA 0.641 4.962 4.320 0.001 0.000 0.283 283 A C -1.632 175.887 177.584 -0.108 0.000 1.127 283 A CA -1.385 50.614 52.037 -0.063 0.000 0.810 283 A CB 0.553 19.534 19.000 -0.032 0.000 1.066 283 A HN 0.685 nan 8.150 nan 0.000 0.492 284 P HA -0.184 nan 4.420 nan 0.000 0.219 284 P C 1.121 178.435 177.300 0.022 0.000 1.146 284 P CA 1.658 64.590 63.100 -0.281 0.000 0.808 284 P CB 0.224 31.652 31.700 -0.454 0.000 0.779 285 E N 0.325 120.516 120.200 -0.016 0.000 2.418 285 E HA -0.107 4.244 4.350 0.001 0.000 0.197 285 E C 1.635 178.261 176.600 0.043 0.000 1.026 285 E CA 1.114 57.523 56.400 0.016 0.000 0.862 285 E CB -0.632 29.063 29.700 -0.007 0.000 0.799 285 E HN 0.204 nan 8.360 nan 0.000 0.518 286 S N -0.536 115.181 115.700 0.029 0.000 2.522 286 S HA 0.037 4.508 4.470 0.001 0.000 0.227 286 S C 0.247 174.796 174.600 -0.086 0.000 0.986 286 S CA -0.409 57.759 58.200 -0.053 0.000 0.929 286 S CB -0.427 62.687 63.200 -0.143 0.000 0.769 286 S HN 0.160 nan 8.310 nan 0.000 0.529 287 F N 2.321 122.253 119.950 -0.031 0.000 2.412 287 F HA 0.401 4.928 4.527 0.001 0.000 0.348 287 F C 1.563 177.370 175.800 0.011 0.000 1.102 287 F CA -0.555 57.443 58.000 -0.004 0.000 1.196 287 F CB 0.973 39.955 39.000 -0.030 0.000 1.144 287 F HN 0.186 nan 8.300 nan 0.000 0.541 288 E N 2.644 122.970 120.200 0.210 0.000 2.162 288 E HA -0.018 4.332 4.350 0.001 0.000 0.193 288 E C -0.845 175.829 176.600 0.123 0.000 0.953 288 E CA 0.380 56.888 56.400 0.180 0.000 0.849 288 E CB 0.406 30.264 29.700 0.263 0.000 0.810 288 E HN 0.601 nan 8.360 nan 0.000 0.470 289 Y N -0.183 120.077 120.300 -0.067 0.000 2.534 289 Y HA 0.485 5.035 4.550 0.001 0.000 0.345 289 Y C -1.771 174.040 175.900 -0.148 0.000 1.031 289 Y CA -1.179 56.730 58.100 -0.319 0.000 1.022 289 Y CB 1.598 39.477 38.460 -0.968 0.000 1.292 289 Y HN -0.008 nan 8.280 nan 0.000 0.459 290 I N 4.478 124.576 120.570 -0.787 0.000 2.499 290 I HA 0.407 4.577 4.170 0.001 0.000 0.288 290 I C -1.509 174.143 176.117 -0.775 0.000 1.048 290 I CA -0.558 60.434 61.300 -0.514 0.000 1.062 290 I CB 1.525 39.349 38.000 -0.293 0.000 1.238 290 I HN 0.765 nan 8.210 nan 0.000 0.426 291 E N 6.834 126.847 120.200 -0.311 0.000 2.044 291 E HA 0.572 4.923 4.350 0.001 0.000 0.282 291 E C -0.578 175.969 176.600 -0.088 0.000 1.031 291 E CA -0.357 55.974 56.400 -0.115 0.000 0.824 291 E CB 1.025 30.815 29.700 0.150 0.000 1.076 291 E HN 0.670 nan 8.360 nan 0.000 0.395 292 A N 3.858 126.638 122.820 -0.066 0.000 2.332 292 A HA 0.171 4.491 4.320 0.001 0.000 0.258 292 A C 0.785 178.360 177.584 -0.015 0.000 1.087 292 A CA -0.091 51.940 52.037 -0.010 0.000 0.802 292 A CB 0.327 19.392 19.000 0.108 0.000 1.042 292 A HN 0.968 nan 8.150 nan 0.000 0.489 293 H N 1.429 120.367 119.070 -0.219 0.000 2.352 293 H HA -0.012 4.545 4.556 0.001 0.000 0.299 293 H C 1.574 176.794 175.328 -0.180 0.000 1.097 293 H CA 1.707 57.583 56.048 -0.287 0.000 1.311 293 H CB -0.547 28.973 29.762 -0.403 0.000 1.377 293 H HN 1.218 nan 8.280 nan 0.000 0.504 294 G N 0.559 109.313 108.800 -0.077 0.000 2.266 294 G HA2 -0.313 3.647 3.960 0.001 0.000 0.269 294 G HA3 -0.313 3.647 3.960 0.001 0.000 0.269 294 G C 0.990 175.670 174.900 -0.367 0.000 0.863 294 G CA 0.964 45.974 45.100 -0.150 0.000 1.268 294 G HN 0.764 nan 8.290 nan 0.000 0.426 295 T N -1.856 112.479 114.554 -0.364 0.000 3.100 295 T HA 0.395 4.746 4.350 0.001 0.000 0.253 295 T C 2.010 176.630 174.700 -0.134 0.000 1.118 295 T CA 0.791 62.679 62.100 -0.353 0.000 1.058 295 T CB 0.380 69.007 68.868 -0.403 0.000 0.953 295 T HN 2.184 nan 8.240 nan 0.000 0.515 296 G N 2.165 110.893 108.800 -0.119 0.000 2.212 296 G HA2 -0.209 3.751 3.960 0.001 0.000 0.255 296 G HA3 -0.209 3.751 3.960 0.001 0.000 0.255 296 G C 0.084 174.988 174.900 0.007 0.000 1.062 296 G CA 0.177 45.242 45.100 -0.058 0.000 0.815 296 G HN 1.134 nan 8.290 nan 0.000 0.497 297 T N -3.089 111.482 114.554 0.028 0.000 2.907 297 T HA 0.643 4.993 4.350 0.001 0.000 0.284 297 T C 1.252 175.974 174.700 0.037 0.000 1.004 297 T CA 0.070 62.195 62.100 0.042 0.000 1.063 297 T CB 2.251 71.155 68.868 0.061 0.000 0.992 297 T HN 0.187 nan 8.240 nan 0.000 0.483 298 K N 1.123 121.543 120.400 0.032 0.000 2.097 298 K HA -0.027 4.294 4.320 0.001 0.000 0.206 298 K C 1.806 178.420 176.600 0.024 0.000 1.049 298 K CA 1.115 57.423 56.287 0.034 0.000 0.933 298 K CB -0.285 32.235 32.500 0.034 0.000 0.717 298 K HN 0.535 nan 8.250 nan 0.000 0.442 299 V N -0.541 119.373 119.914 -0.000 0.000 2.426 299 V HA -0.023 4.098 4.120 0.001 0.000 0.242 299 V C 2.203 178.229 176.094 -0.114 0.000 1.036 299 V CA 1.808 64.073 62.300 -0.060 0.000 1.044 299 V CB -0.249 31.509 31.823 -0.109 0.000 0.688 299 V HN 0.524 nan 8.190 nan 0.000 0.462 300 G N -0.103 108.650 108.800 -0.079 0.000 2.421 300 G HA2 -0.263 3.697 3.960 0.001 0.000 0.216 300 G HA3 -0.263 3.697 3.960 0.001 0.000 0.216 300 G C 1.192 176.111 174.900 0.031 0.000 1.171 300 G CA 1.171 46.248 45.100 -0.038 0.000 0.775 300 G HN 0.477 nan 8.290 nan 0.000 0.543 301 D N 1.265 121.703 120.400 0.063 0.000 2.092 301 D HA -0.069 4.572 4.640 0.001 0.000 0.193 301 D C 0.189 176.538 176.300 0.082 0.000 0.994 301 D CA 1.220 55.292 54.000 0.121 0.000 0.828 301 D CB -1.195 39.705 40.800 0.167 0.000 0.963 301 D HN 0.254 nan 8.370 nan 0.000 0.450 302 P HA -0.079 nan 4.420 nan 0.000 0.216 302 P C 1.499 178.799 177.300 0.000 0.000 1.153 302 P CA 1.210 64.324 63.100 0.024 0.000 0.844 302 P CB 0.077 31.793 31.700 0.027 0.000 0.787 303 Q N 0.018 119.804 119.800 -0.024 0.000 2.045 303 Q HA -0.236 4.104 4.340 0.001 0.000 0.206 303 Q C 2.193 178.172 176.000 -0.035 0.000 0.991 303 Q CA 1.737 57.509 55.803 -0.051 0.000 0.851 303 Q CB -0.877 27.774 28.738 -0.145 0.000 0.911 303 Q HN 0.454 nan 8.270 nan 0.000 0.418 304 E N -0.130 120.078 120.200 0.012 0.000 2.031 304 E HA -0.174 4.176 4.350 0.001 0.000 0.193 304 E C 1.999 178.611 176.600 0.021 0.000 0.994 304 E CA 0.757 57.202 56.400 0.076 0.000 0.800 304 E CB 0.037 29.877 29.700 0.234 0.000 0.752 304 E HN 0.139 nan 8.360 nan 0.000 0.447 305 L N 1.655 122.871 121.223 -0.013 0.000 2.141 305 L HA -0.131 4.210 4.340 0.001 0.000 0.209 305 L C 2.044 178.863 176.870 -0.085 0.000 1.094 305 L CA 1.181 55.964 54.840 -0.096 0.000 0.763 305 L CB -0.519 41.441 42.059 -0.164 0.000 0.908 305 L HN 0.167 nan 8.230 nan 0.000 0.437 306 N N -0.378 118.290 118.700 -0.052 0.000 2.270 306 N HA -0.082 4.658 4.740 0.001 0.000 0.181 306 N C 1.898 177.376 175.510 -0.053 0.000 1.016 306 N CA 1.248 54.270 53.050 -0.047 0.000 0.870 306 N CB -0.496 37.975 38.487 -0.026 0.000 0.979 306 N HN 0.384 nan 8.380 nan 0.000 0.431 307 G N 1.151 109.918 108.800 -0.055 0.000 2.408 307 G HA2 -0.139 3.822 3.960 0.001 0.000 0.217 307 G HA3 -0.139 3.822 3.960 0.001 0.000 0.217 307 G C 1.649 176.502 174.900 -0.079 0.000 1.150 307 G CA 0.235 45.294 45.100 -0.068 0.000 0.776 307 G HN 0.246 nan 8.290 nan 0.000 0.542 308 I N 0.953 121.473 120.570 -0.083 0.000 2.226 308 I HA -0.164 4.007 4.170 0.001 0.000 0.245 308 I C 2.989 179.033 176.117 -0.121 0.000 1.100 308 I CA 1.406 62.636 61.300 -0.117 0.000 1.374 308 I CB -0.364 37.550 38.000 -0.142 0.000 1.057 308 I HN 0.108 nan 8.210 nan 0.000 0.413 309 T N 0.479 114.969 114.554 -0.107 0.000 2.684 309 T HA -0.190 4.160 4.350 0.001 0.000 0.267 309 T C 2.003 176.662 174.700 -0.069 0.000 1.036 309 T CA 1.345 63.389 62.100 -0.093 0.000 1.148 309 T CB -0.268 68.552 68.868 -0.079 0.000 0.863 309 T HN 0.322 nan 8.240 nan 0.000 0.436 310 R N 0.855 121.320 120.500 -0.057 0.000 2.092 310 R HA 0.122 4.462 4.340 0.001 0.000 0.231 310 R C 2.801 179.085 176.300 -0.027 0.000 1.119 310 R CA 1.132 57.208 56.100 -0.039 0.000 0.970 310 R CB -0.382 29.896 30.300 -0.036 0.000 0.864 310 R HN 0.369 nan 8.270 nan 0.000 0.440 311 A N 0.683 123.480 122.820 -0.038 0.000 1.897 311 A HA -0.029 4.292 4.320 0.001 0.000 0.215 311 A C 1.953 179.569 177.584 0.053 0.000 1.181 311 A CA 1.040 53.082 52.037 0.008 0.000 0.620 311 A CB -0.065 18.907 19.000 -0.046 0.000 0.821 311 A HN 0.177 nan 8.150 nan 0.000 0.443 312 L N -1.957 119.228 121.223 -0.063 0.000 2.642 312 L HA 0.068 4.409 4.340 0.001 0.000 0.233 312 L C 1.218 178.016 176.870 -0.120 0.000 1.077 312 L CA 0.055 54.808 54.840 -0.144 0.000 0.879 312 L CB 0.459 42.357 42.059 -0.268 0.000 1.151 312 L HN 0.358 nan 8.230 nan 0.000 0.495 313 C N 0.211 119.456 119.300 -0.091 0.000 2.754 313 C HA 0.352 4.812 4.460 0.001 0.000 0.276 313 C C 2.621 177.582 174.990 -0.049 0.000 1.264 313 C CA 0.030 59.004 59.018 -0.074 0.000 1.700 313 C CB -0.826 26.867 27.740 -0.079 0.000 1.885 313 C HN 0.489 nan 8.230 nan 0.000 0.607 314 A N 0.523 123.321 122.820 -0.037 0.000 1.908 314 A HA -0.182 4.139 4.320 0.001 0.000 0.218 314 A C 2.164 179.737 177.584 -0.019 0.000 1.181 314 A CA 2.510 54.534 52.037 -0.022 0.000 0.627 314 A CB -0.518 18.478 19.000 -0.007 0.000 0.818 314 A HN 0.449 nan 8.150 nan 0.000 0.445 315 T N -1.195 113.346 114.554 -0.023 0.000 3.145 315 T HA 0.240 4.591 4.350 0.001 0.000 0.281 315 T C 0.372 175.060 174.700 -0.021 0.000 1.003 315 T CA -0.454 61.635 62.100 -0.018 0.000 0.901 315 T CB -0.294 68.566 68.868 -0.013 0.000 1.112 315 T HN 0.382 nan 8.240 nan 0.000 0.535 316 R N 1.291 121.774 120.500 -0.029 0.000 2.438 316 R HA 0.253 4.593 4.340 0.001 0.000 0.287 316 R C 1.000 177.289 176.300 -0.017 0.000 1.077 316 R CA -0.303 55.782 56.100 -0.025 0.000 1.034 316 R CB 0.676 30.955 30.300 -0.035 0.000 0.993 316 R HN 0.166 nan 8.270 nan 0.000 0.459 317 Q N 1.291 121.085 119.800 -0.010 0.000 2.297 317 Q HA 0.019 4.360 4.340 0.001 0.000 0.203 317 Q C -0.090 175.908 176.000 -0.004 0.000 0.931 317 Q CA 1.184 56.983 55.803 -0.006 0.000 0.885 317 Q CB 0.520 29.257 28.738 -0.001 0.000 0.991 317 Q HN 0.589 nan 8.270 nan 0.000 0.498 318 E N 1.394 121.592 120.200 -0.003 0.000 2.227 318 E HA 0.415 4.765 4.350 0.001 0.000 0.268 318 E C -2.306 174.287 176.600 -0.012 0.000 0.990 318 E CA -2.230 54.170 56.400 -0.000 0.000 0.856 318 E CB 0.565 30.272 29.700 0.011 0.000 1.159 318 E HN -0.073 nan 8.360 nan 0.000 0.401 319 P HA 0.111 nan 4.420 nan 0.000 0.272 319 P C -0.555 176.718 177.300 -0.044 0.000 1.230 319 P CA -0.467 62.612 63.100 -0.034 0.000 0.788 319 P CB 0.414 32.097 31.700 -0.029 0.000 0.949 320 L N 2.111 123.285 121.223 -0.083 0.000 2.296 320 L HA 0.349 4.690 4.340 0.001 0.000 0.286 320 L C -0.720 176.052 176.870 -0.163 0.000 1.023 320 L CA -0.501 54.275 54.840 -0.105 0.000 0.812 320 L CB 0.416 42.394 42.059 -0.136 0.000 1.223 320 L HN 0.164 nan 8.230 nan 0.000 0.421 321 L N 5.976 127.102 121.223 -0.163 0.000 2.397 321 L HA 0.399 4.739 4.340 0.001 0.000 0.271 321 L C -0.109 176.480 176.870 -0.468 0.000 1.148 321 L CA 0.067 54.775 54.840 -0.221 0.000 0.825 321 L CB 1.046 43.027 42.059 -0.130 0.000 1.117 321 L HN 0.655 nan 8.230 nan 0.000 0.456 322 I N 1.012 121.296 120.570 -0.476 0.000 2.722 322 I HA 0.760 4.930 4.170 0.001 0.000 0.295 322 I C -0.407 175.496 176.117 -0.358 0.000 1.161 322 I CA -0.159 60.758 61.300 -0.639 0.000 1.032 322 I CB 2.148 39.775 38.000 -0.622 0.000 1.244 322 I HN 0.639 nan 8.210 nan 0.000 0.421 323 G N 2.894 111.532 108.800 -0.270 0.000 2.708 323 G HA2 0.600 4.560 3.960 0.001 0.000 0.289 323 G HA3 0.600 4.560 3.960 0.001 0.000 0.289 323 G C -1.941 173.074 174.900 0.192 0.000 1.416 323 G CA -0.537 44.654 45.100 0.153 0.000 0.829 323 G HN 0.541 nan 8.290 nan 0.000 0.480 324 S N -1.216 114.535 115.700 0.084 0.000 2.720 324 S HA 0.459 4.930 4.470 0.001 0.000 0.278 324 S C 0.866 175.437 174.600 -0.049 0.000 1.172 324 S CA -0.048 58.126 58.200 -0.044 0.000 1.019 324 S CB 1.349 64.361 63.200 -0.314 0.000 1.049 324 S HN 0.543 nan 8.310 nan 0.000 0.483 325 T N 4.488 119.050 114.554 0.014 0.000 2.929 325 T HA -0.036 4.314 4.350 0.001 0.000 0.271 325 T C 1.593 176.303 174.700 0.017 0.000 1.085 325 T CA 1.024 63.154 62.100 0.050 0.000 1.125 325 T CB -0.094 68.860 68.868 0.145 0.000 0.874 325 T HN 0.609 nan 8.240 nan 0.000 0.494 326 K N 1.509 121.871 120.400 -0.062 0.000 2.211 326 K HA -0.064 4.256 4.320 0.001 0.000 0.203 326 K C 2.709 179.282 176.600 -0.045 0.000 1.050 326 K CA 1.433 57.674 56.287 -0.077 0.000 0.945 326 K CB -0.160 32.214 32.500 -0.211 0.000 0.732 326 K HN 0.465 nan 8.250 nan 0.000 0.451 327 S N 1.033 116.683 115.700 -0.083 0.000 2.402 327 S HA -0.115 4.355 4.470 0.001 0.000 0.229 327 S C 1.486 176.072 174.600 -0.023 0.000 1.021 327 S CA 1.333 59.511 58.200 -0.037 0.000 0.974 327 S CB -0.289 62.836 63.200 -0.125 0.000 0.800 327 S HN 0.295 nan 8.310 nan 0.000 0.484 328 N N 1.817 120.492 118.700 -0.042 0.000 2.333 328 N HA 0.174 4.915 4.740 0.001 0.000 0.178 328 N C 1.527 177.062 175.510 0.042 0.000 1.018 328 N CA 1.445 54.471 53.050 -0.040 0.000 0.882 328 N CB -0.200 38.246 38.487 -0.068 0.000 0.984 328 N HN 0.772 nan 8.380 nan 0.000 0.434 329 M N -3.081 116.571 119.600 0.087 0.000 2.314 329 M HA 0.501 4.981 4.480 0.001 0.000 0.383 329 M C 0.467 176.823 176.300 0.093 0.000 0.984 329 M CA -0.435 54.935 55.300 0.117 0.000 0.982 329 M CB 1.183 33.906 32.600 0.205 0.000 1.745 329 M HN -0.034 nan 8.290 nan 0.000 0.600 330 G N 1.365 110.214 108.800 0.082 0.000 2.725 330 G HA2 -0.260 3.700 3.960 0.001 0.000 0.220 330 G HA3 -0.260 3.700 3.960 0.001 0.000 0.220 330 G C -1.258 173.702 174.900 0.099 0.000 1.357 330 G CA -0.251 44.904 45.100 0.092 0.000 0.866 330 G HN 0.805 nan 8.290 nan 0.000 0.548 331 H N 1.822 120.876 119.070 -0.028 0.000 2.641 331 H HA 0.511 5.067 4.556 0.001 0.000 0.295 331 H C -1.659 173.604 175.328 -0.109 0.000 1.070 331 H CA -1.962 53.998 56.048 -0.147 0.000 1.257 331 H CB 1.822 31.351 29.762 -0.388 0.000 1.393 331 H HN 0.279 nan 8.280 nan 0.000 0.464 332 P HA 0.063 nan 4.420 nan 0.000 0.253 332 P C -0.070 177.148 177.300 -0.138 0.000 1.459 332 P CA 0.211 63.285 63.100 -0.042 0.000 0.908 332 P CB 0.224 31.925 31.700 0.001 0.000 1.470 333 E N 0.097 120.015 120.200 -0.470 0.000 3.296 333 E HA -0.238 4.112 4.350 0.001 0.000 0.422 333 E C -1.342 175.226 176.600 -0.053 0.000 1.557 333 E CA 1.537 57.657 56.400 -0.467 0.000 1.302 333 E CB -2.818 26.666 29.700 -0.359 0.000 1.497 333 E HN 0.270 nan 8.360 nan 0.000 0.467 334 P HA -0.077 nan 4.420 nan 0.000 0.223 334 P C 0.791 178.120 177.300 0.049 0.000 1.151 334 P CA 2.141 65.270 63.100 0.048 0.000 0.787 334 P CB -0.026 31.706 31.700 0.054 0.000 0.788 335 A N 0.570 123.409 122.820 0.031 0.000 2.252 335 A HA 0.023 4.344 4.320 0.001 0.000 0.207 335 A C 2.272 179.881 177.584 0.041 0.000 1.194 335 A CA 0.924 52.978 52.037 0.028 0.000 0.809 335 A CB -1.157 17.847 19.000 0.006 0.000 0.814 335 A HN 0.345 nan 8.150 nan 0.000 0.482 336 S N -0.282 115.465 115.700 0.079 0.000 2.368 336 S HA -0.075 4.395 4.470 0.001 0.000 0.225 336 S C 2.036 176.678 174.600 0.069 0.000 1.030 336 S CA 1.396 59.661 58.200 0.108 0.000 0.999 336 S CB -1.119 62.216 63.200 0.225 0.000 0.844 336 S HN 0.608 nan 8.310 nan 0.000 0.459 337 G N 2.074 110.911 108.800 0.062 0.000 2.446 337 G HA2 -0.088 3.872 3.960 0.001 0.000 0.217 337 G HA3 -0.088 3.872 3.960 0.001 0.000 0.217 337 G C 1.495 176.413 174.900 0.030 0.000 1.168 337 G CA 1.050 46.169 45.100 0.032 0.000 0.771 337 G HN 0.504 nan 8.290 nan 0.000 0.551 338 L N 0.479 121.719 121.223 0.030 0.000 2.156 338 L HA 0.006 4.346 4.340 0.001 0.000 0.208 338 L C 3.400 180.285 176.870 0.025 0.000 1.095 338 L CA 0.834 55.688 54.840 0.024 0.000 0.770 338 L CB -0.434 41.637 42.059 0.021 0.000 0.914 338 L HN 0.338 nan 8.230 nan 0.000 0.439 339 A N 0.270 123.101 122.820 0.019 0.000 1.902 339 A HA -0.156 4.164 4.320 0.001 0.000 0.217 339 A C 2.525 180.189 177.584 0.133 0.000 1.181 339 A CA 1.705 53.752 52.037 0.017 0.000 0.623 339 A CB -0.555 18.441 19.000 -0.007 0.000 0.818 339 A HN 0.392 nan 8.150 nan 0.000 0.443 340 A N -0.624 122.262 122.820 0.110 0.000 1.930 340 A HA 0.026 4.347 4.320 0.001 0.000 0.217 340 A C 2.109 179.776 177.584 0.139 0.000 1.175 340 A CA 1.606 53.721 52.037 0.131 0.000 0.627 340 A CB -0.552 18.493 19.000 0.075 0.000 0.815 340 A HN 0.692 nan 8.150 nan 0.000 0.443 341 L N -0.194 121.085 121.223 0.093 0.000 2.046 341 L HA -0.040 4.301 4.340 0.001 0.000 0.208 341 L C 2.610 179.528 176.870 0.079 0.000 1.077 341 L CA 2.126 57.010 54.840 0.073 0.000 0.747 341 L CB -0.736 41.342 42.059 0.032 0.000 0.896 341 L HN 0.325 nan 8.230 nan 0.000 0.432 342 A N -0.354 122.529 122.820 0.106 0.000 1.902 342 A HA -0.238 4.083 4.320 0.001 0.000 0.217 342 A C 2.409 180.136 177.584 0.238 0.000 1.181 342 A CA 1.926 54.047 52.037 0.139 0.000 0.623 342 A CB -0.727 18.375 19.000 0.170 0.000 0.818 342 A HN 0.437 nan 8.150 nan 0.000 0.443 343 K N 0.228 120.831 120.400 0.338 0.000 2.097 343 K HA -0.092 4.228 4.320 0.001 0.000 0.206 343 K C 1.887 178.611 176.600 0.207 0.000 1.049 343 K CA 1.865 58.314 56.287 0.270 0.000 0.933 343 K CB -0.658 31.983 32.500 0.236 0.000 0.717 343 K HN 0.266 nan 8.250 nan 0.000 0.442 344 V N 1.784 121.813 119.914 0.192 0.000 2.307 344 V HA -0.224 3.896 4.120 0.001 0.000 0.245 344 V C 2.536 178.681 176.094 0.084 0.000 1.045 344 V CA 1.495 63.917 62.300 0.203 0.000 1.024 344 V CB -0.299 31.660 31.823 0.227 0.000 0.651 344 V HN 0.242 nan 8.190 nan 0.000 0.449 345 L N -0.913 120.314 121.223 0.006 0.000 2.093 345 L HA -0.133 4.208 4.340 0.001 0.000 0.208 345 L C 2.377 179.151 176.870 -0.160 0.000 1.085 345 L CA 1.233 56.009 54.840 -0.107 0.000 0.755 345 L CB -0.531 41.362 42.059 -0.278 0.000 0.904 345 L HN 0.294 nan 8.230 nan 0.000 0.435 346 L N -0.823 120.325 121.223 -0.125 0.000 2.046 346 L HA -0.198 4.143 4.340 0.001 0.000 0.208 346 L C 2.760 179.361 176.870 -0.448 0.000 1.077 346 L CA 1.142 55.849 54.840 -0.221 0.000 0.747 346 L CB -0.532 41.512 42.059 -0.025 0.000 0.896 346 L HN 0.197 nan 8.230 nan 0.000 0.432 347 S N 0.221 115.784 115.700 -0.228 0.000 2.359 347 S HA -0.165 4.306 4.470 0.001 0.000 0.224 347 S C 1.975 176.294 174.600 -0.468 0.000 1.035 347 S CA 1.339 59.378 58.200 -0.269 0.000 1.018 347 S CB -0.410 62.715 63.200 -0.126 0.000 0.876 347 S HN 0.280 nan 8.310 nan 0.000 0.448 348 L N 1.399 122.367 121.223 -0.424 0.000 2.046 348 L HA -0.114 4.227 4.340 0.001 0.000 0.208 348 L C 2.678 179.371 176.870 -0.295 0.000 1.077 348 L CA 1.079 55.689 54.840 -0.384 0.000 0.747 348 L CB -0.605 41.327 42.059 -0.212 0.000 0.896 348 L HN 0.204 nan 8.230 nan 0.000 0.432 349 E N -0.234 119.801 120.200 -0.274 0.000 2.153 349 E HA -0.204 4.146 4.350 0.001 0.000 0.194 349 E C 1.881 178.175 176.600 -0.509 0.000 0.988 349 E CA 1.416 57.615 56.400 -0.335 0.000 0.811 349 E CB -0.224 29.280 29.700 -0.328 0.000 0.746 349 E HN 0.645 nan 8.360 nan 0.000 0.466 350 H N -1.296 117.492 119.070 -0.470 0.000 2.539 350 H HA 0.230 4.786 4.556 0.001 0.000 0.269 350 H C 1.233 176.412 175.328 -0.248 0.000 0.980 350 H CA 0.594 56.407 56.048 -0.391 0.000 1.152 350 H CB 0.647 30.058 29.762 -0.584 0.000 1.407 350 H HN 0.275 nan 8.280 nan 0.000 0.564 351 G N 0.598 109.270 108.800 -0.214 0.000 2.166 351 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 351 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 351 G C -0.139 174.631 174.900 -0.216 0.000 0.986 351 G CA 0.402 45.371 45.100 -0.219 0.000 0.683 351 G HN 0.314 nan 8.290 nan 0.000 0.527 352 L N -1.243 119.866 121.223 -0.189 0.000 2.410 352 L HA 0.542 4.883 4.340 0.001 0.000 0.270 352 L C -0.178 176.620 176.870 -0.121 0.000 0.983 352 L CA -1.199 53.585 54.840 -0.093 0.000 0.822 352 L CB 1.451 43.590 42.059 0.133 0.000 1.285 352 L HN 0.172 nan 8.230 nan 0.000 0.409 353 W N 2.554 123.877 121.300 0.038 0.000 2.419 353 W HA 0.497 5.157 4.660 0.001 0.000 0.312 353 W C 0.600 177.123 176.519 0.006 0.000 1.323 353 W CA -0.358 56.964 57.345 -0.038 0.000 1.293 353 W CB 0.976 30.370 29.460 -0.108 0.000 1.324 353 W HN 0.508 nan 8.180 nan 0.000 0.512 354 A N 7.203 130.172 122.820 0.248 0.000 2.488 354 A HA 0.361 4.682 4.320 0.001 0.000 0.249 354 A C -1.936 175.678 177.584 0.050 0.000 1.083 354 A CA -1.108 50.948 52.037 0.032 0.000 0.768 354 A CB -0.261 18.683 19.000 -0.092 0.000 1.017 354 A HN 0.388 nan 8.150 nan 0.000 0.496 355 P HA 0.265 nan 4.420 nan 0.000 0.283 355 P C -0.696 176.581 177.300 -0.038 0.000 1.271 355 P CA -0.799 62.307 63.100 0.009 0.000 0.841 355 P CB 0.812 32.514 31.700 0.004 0.000 1.122 356 N N -0.186 118.501 118.700 -0.022 0.000 2.444 356 N HA 0.247 4.987 4.740 0.001 0.000 0.255 356 N C 0.039 175.473 175.510 -0.126 0.000 1.255 356 N CA -0.032 52.972 53.050 -0.075 0.000 0.933 356 N CB -0.058 38.388 38.487 -0.069 0.000 1.143 356 N HN 0.335 nan 8.380 nan 0.000 0.453 357 L N 1.043 122.125 121.223 -0.234 0.000 2.331 357 L HA 0.343 4.684 4.340 0.001 0.000 0.268 357 L C 0.303 176.927 176.870 -0.408 0.000 1.015 357 L CA -0.808 53.773 54.840 -0.431 0.000 0.807 357 L CB 0.766 42.370 42.059 -0.759 0.000 1.293 357 L HN 0.720 nan 8.230 nan 0.000 0.451 358 H N -0.867 118.122 119.070 -0.135 0.000 3.047 358 H HA -0.237 4.320 4.556 0.001 0.000 0.263 358 H C -0.438 174.643 175.328 -0.412 0.000 1.168 358 H CA 0.593 56.480 56.048 -0.268 0.000 1.152 358 H CB -2.061 27.645 29.762 -0.094 0.000 1.278 358 H HN 0.324 nan 8.280 nan 0.000 0.339 359 F N 2.641 122.328 119.950 -0.439 0.000 2.350 359 F HA 0.316 4.843 4.527 0.001 0.000 0.365 359 F C 0.990 176.569 175.800 -0.369 0.000 1.122 359 F CA -0.541 57.285 58.000 -0.291 0.000 1.139 359 F CB 0.381 39.325 39.000 -0.093 0.000 1.220 359 F HN 0.028 nan 8.300 nan 0.000 0.499 360 H N 1.949 120.736 119.070 -0.471 0.000 2.326 360 H HA 0.214 4.770 4.556 0.001 0.000 0.272 360 H C 0.306 175.315 175.328 -0.532 0.000 0.949 360 H CA 0.710 56.524 56.048 -0.391 0.000 1.175 360 H CB 0.199 29.863 29.762 -0.163 0.000 1.462 360 H HN 0.406 nan 8.280 nan 0.000 0.514 361 S N 2.912 118.389 115.700 -0.371 0.000 2.561 361 S HA 0.419 4.889 4.470 0.001 0.000 0.303 361 S C -3.075 171.375 174.600 -0.250 0.000 1.110 361 S CA -1.643 56.387 58.200 -0.284 0.000 1.034 361 S CB 2.994 66.134 63.200 -0.099 0.000 1.010 361 S HN -0.133 nan 8.310 nan 0.000 0.482 362 P HA 0.041 nan 4.420 nan 0.000 0.266 362 P C -0.398 176.984 177.300 0.136 0.000 1.195 362 P CA -0.199 63.007 63.100 0.176 0.000 0.768 362 P CB 0.320 32.139 31.700 0.199 0.000 0.838 363 N N 4.466 123.283 118.700 0.194 0.000 2.440 363 N HA -0.011 4.729 4.740 0.001 0.000 0.265 363 N C -1.185 174.376 175.510 0.084 0.000 1.239 363 N CA -1.449 51.677 53.050 0.126 0.000 0.909 363 N CB 0.325 38.895 38.487 0.139 0.000 1.066 363 N HN 0.253 nan 8.380 nan 0.000 0.474 364 P HA -0.094 nan 4.420 nan 0.000 0.225 364 P C 0.324 177.646 177.300 0.037 0.000 1.148 364 P CA 1.164 64.290 63.100 0.042 0.000 0.779 364 P CB 0.357 32.076 31.700 0.032 0.000 0.780 365 E N -0.485 119.740 120.200 0.042 0.000 2.502 365 E HA 0.075 4.426 4.350 0.001 0.000 0.194 365 E C 0.497 177.114 176.600 0.028 0.000 1.062 365 E CA 0.108 56.529 56.400 0.035 0.000 0.867 365 E CB -0.110 29.614 29.700 0.039 0.000 0.888 365 E HN 0.378 nan 8.360 nan 0.000 0.510 366 I N 1.326 121.914 120.570 0.031 0.000 2.503 366 I HA 0.140 4.310 4.170 0.001 0.000 0.277 366 I C -2.008 174.112 176.117 0.005 0.000 1.078 366 I CA -1.965 59.342 61.300 0.012 0.000 1.184 366 I CB 1.210 39.217 38.000 0.010 0.000 1.353 366 I HN -0.214 nan 8.210 nan 0.000 0.490 367 P HA -0.242 nan 4.420 nan 0.000 0.217 367 P C 1.525 178.818 177.300 -0.013 0.000 1.151 367 P CA 1.280 64.378 63.100 -0.003 0.000 0.849 367 P CB 0.345 32.041 31.700 -0.007 0.000 0.787 368 A N -1.360 121.441 122.820 -0.032 0.000 2.067 368 A HA -0.053 4.267 4.320 0.001 0.000 0.217 368 A C 2.161 179.716 177.584 -0.048 0.000 1.156 368 A CA 0.854 52.862 52.037 -0.048 0.000 0.683 368 A CB -1.360 17.595 19.000 -0.075 0.000 0.808 368 A HN 0.127 nan 8.150 nan 0.000 0.455 369 L N -1.049 120.153 121.223 -0.035 0.000 2.072 369 L HA -0.130 4.210 4.340 0.001 0.000 0.205 369 L C 2.147 179.039 176.870 0.037 0.000 1.079 369 L CA 0.669 55.508 54.840 -0.002 0.000 0.752 369 L CB -0.379 41.709 42.059 0.048 0.000 0.906 369 L HN 0.295 nan 8.230 nan 0.000 0.436 370 L N 0.053 121.295 121.223 0.031 0.000 2.156 370 L HA -0.168 4.172 4.340 0.001 0.000 0.208 370 L C 1.996 178.877 176.870 0.018 0.000 1.095 370 L CA 1.531 56.390 54.840 0.032 0.000 0.770 370 L CB -0.793 41.281 42.059 0.025 0.000 0.914 370 L HN 0.417 nan 8.230 nan 0.000 0.439 371 D N -2.155 118.248 120.400 0.005 0.000 2.354 371 D HA 0.161 4.802 4.640 0.001 0.000 0.209 371 D C 1.669 177.966 176.300 -0.004 0.000 1.015 371 D CA 0.875 54.875 54.000 -0.000 0.000 0.867 371 D CB 0.167 40.963 40.800 -0.006 0.000 0.933 371 D HN 0.208 nan 8.370 nan 0.000 0.520 372 G N 0.517 109.311 108.800 -0.009 0.000 2.213 372 G HA2 -0.347 3.613 3.960 0.001 0.000 0.226 372 G HA3 -0.347 3.613 3.960 0.001 0.000 0.226 372 G C 1.333 176.213 174.900 -0.033 0.000 0.992 372 G CA 0.173 45.264 45.100 -0.014 0.000 0.632 372 G HN 0.339 nan 8.290 nan 0.000 0.511 373 R N -0.414 120.061 120.500 -0.043 0.000 2.096 373 R HA 0.155 4.495 4.340 0.001 0.000 0.235 373 R C 1.026 177.274 176.300 -0.088 0.000 1.127 373 R CA 0.984 57.050 56.100 -0.058 0.000 0.968 373 R CB -0.122 30.143 30.300 -0.058 0.000 0.861 373 R HN 0.390 nan 8.270 nan 0.000 0.440 374 L N 1.021 122.179 121.223 -0.109 0.000 2.317 374 L HA 0.323 4.663 4.340 0.001 0.000 0.281 374 L C -0.414 176.365 176.870 -0.152 0.000 1.024 374 L CA -0.459 54.281 54.840 -0.167 0.000 0.810 374 L CB 1.770 43.692 42.059 -0.229 0.000 1.240 374 L HN 0.108 nan 8.230 nan 0.000 0.427 375 Q N 2.733 122.430 119.800 -0.170 0.000 2.320 375 Q HA 0.370 4.710 4.340 0.001 0.000 0.268 375 Q C -1.381 174.504 176.000 -0.192 0.000 1.023 375 Q CA -0.611 55.114 55.803 -0.131 0.000 0.744 375 Q CB 2.336 31.035 28.738 -0.065 0.000 1.246 375 Q HN 0.439 nan 8.270 nan 0.000 0.462 376 V N 3.915 123.683 119.914 -0.244 0.000 2.572 376 V HA 0.060 4.181 4.120 0.001 0.000 0.291 376 V C 0.179 176.197 176.094 -0.126 0.000 1.039 376 V CA -0.210 61.900 62.300 -0.316 0.000 1.055 376 V CB 1.296 32.660 31.823 -0.765 0.000 0.969 376 V HN 0.580 nan 8.190 nan 0.000 0.482 377 V N 5.771 125.657 119.914 -0.046 0.000 2.352 377 V HA 0.145 4.265 4.120 0.001 0.000 0.253 377 V C 0.688 176.811 176.094 0.050 0.000 1.083 377 V CA -0.049 62.280 62.300 0.049 0.000 0.993 377 V CB 0.359 32.264 31.823 0.138 0.000 1.111 377 V HN 1.102 nan 8.190 nan 0.000 0.490 378 D N 2.264 122.705 120.400 0.067 0.000 2.431 378 D HA 0.114 4.754 4.640 0.001 0.000 0.213 378 D C 0.424 176.765 176.300 0.069 0.000 1.130 378 D CA -0.025 54.028 54.000 0.088 0.000 0.834 378 D CB 0.635 41.554 40.800 0.199 0.000 0.985 378 D HN 0.512 nan 8.370 nan 0.000 0.504 379 Q N 0.200 120.040 119.800 0.067 0.000 2.379 379 Q HA 0.383 4.724 4.340 0.001 0.000 0.278 379 Q C -2.961 173.078 176.000 0.065 0.000 1.068 379 Q CA -2.236 53.599 55.803 0.053 0.000 0.816 379 Q CB 2.883 31.657 28.738 0.060 0.000 1.387 379 Q HN -0.163 nan 8.270 nan 0.000 0.413 380 P HA 0.133 nan 4.420 nan 0.000 0.267 380 P C -1.116 176.243 177.300 0.098 0.000 1.209 380 P CA 0.434 63.572 63.100 0.064 0.000 0.763 380 P CB 0.314 32.024 31.700 0.017 0.000 0.816 381 L N 5.913 127.234 121.223 0.163 0.000 2.346 381 L HA 0.557 4.898 4.340 0.001 0.000 0.274 381 L C -2.164 174.796 176.870 0.150 0.000 1.007 381 L CA -2.713 52.236 54.840 0.181 0.000 0.818 381 L CB 2.208 44.421 42.059 0.256 0.000 1.284 381 L HN 0.187 nan 8.230 nan 0.000 0.424 382 P HA 0.055 nan 4.420 nan 0.000 0.271 382 P C -0.526 176.771 177.300 -0.004 0.000 1.218 382 P CA -0.233 62.874 63.100 0.012 0.000 0.780 382 P CB 1.133 32.847 31.700 0.024 0.000 0.901 383 V N 5.538 125.327 119.914 -0.208 0.000 2.470 383 V HA 0.052 4.172 4.120 0.001 0.000 0.276 383 V C 1.856 177.936 176.094 -0.024 0.000 1.040 383 V CA 0.237 62.384 62.300 -0.255 0.000 1.008 383 V CB 0.138 31.631 31.823 -0.550 0.000 0.990 383 V HN 0.530 nan 8.190 nan 0.000 0.477 384 R N 3.149 123.719 120.500 0.117 0.000 2.237 384 R HA 0.351 4.691 4.340 0.001 0.000 0.195 384 R C 0.855 177.196 176.300 0.068 0.000 0.956 384 R CA 0.740 56.890 56.100 0.084 0.000 1.029 384 R CB 0.514 30.878 30.300 0.107 0.000 0.972 384 R HN 0.944 nan 8.270 nan 0.000 0.493 385 G N -0.523 108.336 108.800 0.099 0.000 2.535 385 G HA2 0.343 4.303 3.960 0.001 0.000 0.662 385 G HA3 0.343 4.303 3.960 0.001 0.000 0.662 385 G C -0.421 174.534 174.900 0.092 0.000 1.417 385 G CA -0.415 44.727 45.100 0.069 0.000 0.866 385 G HN 0.483 nan 8.290 nan 0.000 0.647 386 G N 0.779 109.618 108.800 0.065 0.000 2.340 386 G HA2 0.435 4.396 3.960 0.001 0.000 0.527 386 G HA3 0.435 4.396 3.960 0.001 0.000 0.527 386 G C -0.607 174.300 174.900 0.011 0.000 1.381 386 G CA -0.189 44.929 45.100 0.031 0.000 1.001 386 G HN 1.175 nan 8.290 nan 0.000 0.626 387 N N -1.344 117.275 118.700 -0.134 0.000 2.399 387 N HA 0.555 5.295 4.740 0.001 0.000 0.250 387 N C -0.034 175.443 175.510 -0.055 0.000 1.272 387 N CA -0.013 52.894 53.050 -0.239 0.000 0.928 387 N CB 1.554 39.638 38.487 -0.672 0.000 1.158 387 N HN 0.575 nan 8.380 nan 0.000 0.463 388 V N -0.590 119.357 119.914 0.055 0.000 2.735 388 V HA 0.700 4.821 4.120 0.001 0.000 0.310 388 V C 0.515 176.796 176.094 0.310 0.000 1.061 388 V CA -0.921 61.541 62.300 0.270 0.000 0.913 388 V CB 1.867 33.867 31.823 0.296 0.000 1.005 388 V HN 0.756 nan 8.190 nan 0.000 0.428 389 G N 3.275 112.295 108.800 0.366 0.000 2.453 389 G HA2 0.834 4.794 3.960 0.001 0.000 0.323 389 G HA3 0.834 4.794 3.960 0.001 0.000 0.323 389 G C -1.215 173.712 174.900 0.045 0.000 1.198 389 G CA -0.599 44.629 45.100 0.214 0.000 0.959 389 G HN 0.581 nan 8.290 nan 0.000 0.482 390 I N 1.416 121.908 120.570 -0.129 0.000 2.534 390 I HA 0.281 4.451 4.170 0.001 0.000 0.288 390 I C -1.221 174.833 176.117 -0.104 0.000 1.077 390 I CA -1.042 60.210 61.300 -0.080 0.000 1.051 390 I CB 2.426 40.392 38.000 -0.056 0.000 1.234 390 I HN 0.254 nan 8.210 nan 0.000 0.425 391 N N 3.233 121.873 118.700 -0.099 0.000 2.405 391 N HA 0.500 5.241 4.740 0.001 0.000 0.299 391 N C -1.023 174.186 175.510 -0.501 0.000 1.075 391 N CA -0.410 52.457 53.050 -0.306 0.000 0.884 391 N CB 2.262 40.437 38.487 -0.520 0.000 1.194 391 N HN 0.465 nan 8.380 nan 0.000 0.491 392 S N 1.677 116.993 115.700 -0.640 0.000 2.776 392 S HA 0.590 5.060 4.470 0.001 0.000 0.284 392 S C -1.845 172.419 174.600 -0.561 0.000 1.160 392 S CA -0.568 57.338 58.200 -0.491 0.000 1.051 392 S CB -0.171 62.942 63.200 -0.144 0.000 1.037 392 S HN 0.271 nan 8.310 nan 0.000 0.485 393 F N 2.496 121.965 119.950 -0.802 0.000 2.449 393 F HA 0.618 5.146 4.527 0.001 0.000 0.342 393 F C 0.985 176.533 175.800 -0.420 0.000 1.127 393 F CA -1.218 56.455 58.000 -0.546 0.000 0.975 393 F CB 1.379 40.102 39.000 -0.461 0.000 1.146 393 F HN 0.584 nan 8.300 nan 0.000 0.444 394 G N 1.607 110.418 108.800 0.018 0.000 2.476 394 G HA2 0.283 4.243 3.960 0.001 0.000 0.269 394 G HA3 0.283 4.243 3.960 0.001 0.000 0.269 394 G C 0.507 175.462 174.900 0.092 0.000 1.195 394 G CA -0.558 44.565 45.100 0.038 0.000 0.843 394 G HN 0.699 nan 8.290 nan 0.000 0.545 395 F N -0.046 119.985 119.950 0.134 0.000 2.546 395 F HA 0.170 4.698 4.527 0.001 0.000 0.298 395 F C 1.782 177.648 175.800 0.111 0.000 1.120 395 F CA 0.468 58.555 58.000 0.145 0.000 1.456 395 F CB 0.038 39.164 39.000 0.211 0.000 1.088 395 F HN 0.352 nan 8.300 nan 0.000 0.572 396 G N -0.490 108.130 108.800 -0.300 0.000 3.042 396 G HA2 0.359 4.320 3.960 0.001 0.000 0.212 396 G HA3 0.359 4.320 3.960 0.001 0.000 0.212 396 G C 1.334 176.199 174.900 -0.060 0.000 1.166 396 G CA 0.114 45.102 45.100 -0.187 0.000 0.767 396 G HN 1.014 nan 8.290 nan 0.000 0.546 397 G N -0.637 108.145 108.800 -0.030 0.000 2.176 397 G HA2 -0.236 3.725 3.960 0.001 0.000 0.232 397 G HA3 -0.236 3.725 3.960 0.001 0.000 0.232 397 G C 0.379 175.258 174.900 -0.034 0.000 0.986 397 G CA 0.123 45.208 45.100 -0.025 0.000 0.643 397 G HN 0.513 nan 8.290 nan 0.000 0.522 398 S N 1.891 117.573 115.700 -0.030 0.000 2.448 398 S HA 0.481 4.951 4.470 0.001 0.000 0.279 398 S C 0.162 174.784 174.600 0.037 0.000 1.195 398 S CA -0.454 57.741 58.200 -0.007 0.000 1.051 398 S CB 0.467 63.660 63.200 -0.012 0.000 0.948 398 S HN 0.439 nan 8.310 nan 0.000 0.493 399 N N 2.297 121.028 118.700 0.051 0.000 2.405 399 N HA 0.537 5.277 4.740 0.001 0.000 0.299 399 N C -0.947 174.666 175.510 0.172 0.000 1.075 399 N CA -0.445 52.714 53.050 0.182 0.000 0.884 399 N CB 1.792 40.300 38.487 0.035 0.000 1.194 399 N HN 0.222 nan 8.380 nan 0.000 0.491 400 V N 1.075 121.121 119.914 0.219 0.000 2.789 400 V HA 0.384 4.504 4.120 0.001 0.000 0.311 400 V C -0.950 175.242 176.094 0.163 0.000 1.073 400 V CA -0.671 61.702 62.300 0.121 0.000 0.921 400 V CB 1.987 33.830 31.823 0.033 0.000 1.009 400 V HN 0.807 nan 8.190 nan 0.000 0.426 401 H N 3.593 122.677 119.070 0.023 0.000 2.865 401 H HA 0.786 5.342 4.556 0.001 0.000 0.362 401 H C -1.118 174.194 175.328 -0.028 0.000 1.114 401 H CA -0.524 55.529 56.048 0.009 0.000 1.208 401 H CB 1.786 31.579 29.762 0.052 0.000 1.727 401 H HN 0.810 nan 8.280 nan 0.000 0.534 402 I N 2.690 122.912 120.570 -0.581 0.000 2.828 402 I HA 0.597 4.767 4.170 0.001 0.000 0.302 402 I C -1.420 174.429 176.117 -0.446 0.000 1.101 402 I CA -1.107 59.945 61.300 -0.414 0.000 1.031 402 I CB 2.418 40.263 38.000 -0.260 0.000 1.231 402 I HN 0.506 nan 8.210 nan 0.000 0.427 403 I N 5.640 126.081 120.570 -0.215 0.000 2.406 403 I HA 0.462 4.633 4.170 0.001 0.000 0.290 403 I C -0.749 175.324 176.117 -0.074 0.000 0.999 403 I CA -0.611 60.663 61.300 -0.044 0.000 1.124 403 I CB 1.932 39.985 38.000 0.087 0.000 1.289 403 I HN 0.435 nan 8.210 nan 0.000 0.441 404 L N 5.980 127.183 121.223 -0.033 0.000 2.346 404 L HA 0.587 4.928 4.340 0.001 0.000 0.274 404 L C -0.076 176.777 176.870 -0.027 0.000 1.007 404 L CA -0.744 54.084 54.840 -0.020 0.000 0.818 404 L CB 2.056 44.130 42.059 0.026 0.000 1.284 404 L HN 0.561 nan 8.230 nan 0.000 0.424 405 R N 3.712 124.201 120.500 -0.018 0.000 2.272 405 R HA 0.413 4.753 4.340 0.001 0.000 0.323 405 R C -2.573 173.732 176.300 0.009 0.000 1.002 405 R CA -1.545 54.542 56.100 -0.020 0.000 0.900 405 R CB 1.160 31.447 30.300 -0.023 0.000 1.151 405 R HN 0.243 nan 8.270 nan 0.000 0.507 406 P HA -0.059 nan 4.420 nan 0.000 0.267 406 P C -1.017 176.287 177.300 0.007 0.000 1.200 406 P CA -0.090 63.024 63.100 0.023 0.000 0.772 406 P CB 0.519 32.230 31.700 0.017 0.000 0.855 407 N N 1.484 120.188 118.700 0.007 0.000 2.442 407 N HA 0.089 4.830 4.740 0.001 0.000 0.265 407 N C 0.314 175.808 175.510 -0.027 0.000 1.138 407 N CA 0.102 53.147 53.050 -0.008 0.000 0.956 407 N CB -0.024 38.453 38.487 -0.016 0.000 1.067 407 N HN 0.317 nan 8.380 nan 0.000 0.474 408 T N 0.097 114.634 114.554 -0.028 0.000 3.174 408 T HA 0.113 4.464 4.350 0.001 0.000 0.269 408 T C 0.490 175.167 174.700 -0.040 0.000 1.017 408 T CA -0.505 61.572 62.100 -0.038 0.000 0.899 408 T CB -0.278 68.571 68.868 -0.031 0.000 1.077 408 T HN 0.508 nan 8.240 nan 0.000 0.552 409 Q N 4.117 123.895 119.800 -0.038 0.000 2.339 409 Q HA 0.139 4.480 4.340 0.001 0.000 0.308 409 Q C -2.248 173.723 176.000 -0.048 0.000 1.097 409 Q CA -0.986 54.794 55.803 -0.038 0.000 1.007 409 Q CB 0.405 29.122 28.738 -0.035 0.000 1.051 409 Q HN 0.277 nan 8.270 nan 0.000 0.381 410 P HA 0.265 nan 4.420 nan 0.000 0.276 410 P C -2.548 174.721 177.300 -0.053 0.000 1.252 410 P CA -1.545 61.526 63.100 -0.048 0.000 0.802 410 P CB 0.122 31.799 31.700 -0.039 0.000 1.035 411 P HA 0.188 nan 4.420 nan 0.000 0.269 411 P C -2.036 175.233 177.300 -0.052 0.000 1.215 411 P CA -0.760 62.306 63.100 -0.057 0.000 0.780 411 P CB -1.321 30.346 31.700 -0.055 0.000 0.898 412 P HA 0.134 nan 4.420 nan 0.000 0.270 412 P C -0.794 176.478 177.300 -0.047 0.000 1.223 412 P CA -0.227 62.841 63.100 -0.053 0.000 0.785 412 P CB 0.297 31.961 31.700 -0.060 0.000 0.923 413 A N 3.045 125.840 122.820 -0.041 0.000 2.401 413 A HA 0.437 4.757 4.320 0.001 0.000 0.259 413 A C -1.827 175.726 177.584 -0.051 0.000 1.103 413 A CA -1.093 50.921 52.037 -0.039 0.000 0.789 413 A CB -1.462 17.521 19.000 -0.029 0.000 1.035 413 A HN 0.438 nan 8.150 nan 0.000 0.491 414 P HA 0.316 nan 4.420 nan 0.000 0.261 414 P C -0.305 176.943 177.300 -0.088 0.000 1.183 414 P CA 0.646 63.703 63.100 -0.073 0.000 0.761 414 P CB 0.646 32.312 31.700 -0.055 0.000 0.785 415 A N 5.340 128.068 122.820 -0.153 0.000 2.384 415 A HA 0.649 4.969 4.320 0.001 0.000 0.312 415 A C -1.736 175.710 177.584 -0.230 0.000 1.113 415 A CA -1.314 50.611 52.037 -0.187 0.000 0.779 415 A CB 0.700 19.551 19.000 -0.248 0.000 1.307 415 A HN 0.279 nan 8.150 nan 0.000 0.436 416 P HA -0.160 nan 4.420 nan 0.000 0.215 416 P C 0.990 178.257 177.300 -0.056 0.000 1.157 416 P CA 2.120 65.185 63.100 -0.058 0.000 0.863 416 P CB -0.223 31.488 31.700 0.019 0.000 0.787 417 H N -0.796 118.297 119.070 0.038 0.000 2.491 417 H HA 0.180 4.736 4.556 0.001 0.000 0.290 417 H C 1.623 176.969 175.328 0.031 0.000 1.050 417 H CA 1.068 57.156 56.048 0.065 0.000 1.309 417 H CB -1.216 28.607 29.762 0.102 0.000 1.392 417 H HN 0.045 nan 8.280 nan 0.000 0.554 418 A N 0.754 123.265 122.820 -0.516 0.000 2.178 418 A HA -0.125 4.196 4.320 0.001 0.000 0.218 418 A C 2.217 179.734 177.584 -0.112 0.000 1.157 418 A CA 1.494 53.358 52.037 -0.288 0.000 0.689 418 A CB -1.016 17.785 19.000 -0.332 0.000 0.787 418 A HN 0.724 nan 8.150 nan 0.000 0.465 419 T N -2.182 112.331 114.554 -0.068 0.000 3.067 419 T HA 0.338 4.688 4.350 0.001 0.000 0.257 419 T C 0.655 175.365 174.700 0.017 0.000 1.105 419 T CA -0.150 61.938 62.100 -0.021 0.000 1.104 419 T CB -0.404 68.457 68.868 -0.011 0.000 0.925 419 T HN 0.247 nan 8.240 nan 0.000 0.498 420 L N 2.840 124.093 121.223 0.049 0.000 2.452 420 L HA 0.341 4.682 4.340 0.001 0.000 0.267 420 L C -1.812 175.074 176.870 0.027 0.000 1.188 420 L CA -2.238 52.658 54.840 0.093 0.000 0.821 420 L CB 0.132 42.325 42.059 0.223 0.000 1.102 420 L HN 0.049 nan 8.230 nan 0.000 0.470 421 P HA 0.222 nan 4.420 nan 0.000 0.274 421 P C -1.035 176.230 177.300 -0.059 0.000 1.237 421 P CA -0.421 62.695 63.100 0.027 0.000 0.793 421 P CB 0.963 32.718 31.700 0.091 0.000 0.977 422 R N 0.625 121.059 120.500 -0.111 0.000 2.854 422 R HA 0.575 4.915 4.340 0.001 0.000 0.271 422 R C -0.686 175.600 176.300 -0.023 0.000 0.994 422 R CA -1.198 54.765 56.100 -0.229 0.000 0.945 422 R CB 1.272 31.389 30.300 -0.306 0.000 1.194 422 R HN 0.431 nan 8.270 nan 0.000 0.476 423 L N 2.021 123.266 121.223 0.036 0.000 2.309 423 L HA 0.536 4.877 4.340 0.001 0.000 0.282 423 L C -1.223 175.658 176.870 0.018 0.000 1.036 423 L CA -0.681 54.193 54.840 0.057 0.000 0.806 423 L CB 1.304 43.398 42.059 0.058 0.000 1.220 423 L HN 0.503 nan 8.230 nan 0.000 0.429 424 L N 5.578 126.819 121.223 0.030 0.000 2.333 424 L HA 0.693 5.034 4.340 0.001 0.000 0.280 424 L C -0.607 176.256 176.870 -0.013 0.000 1.004 424 L CA -0.267 54.566 54.840 -0.012 0.000 0.820 424 L CB 1.217 43.270 42.059 -0.009 0.000 1.247 424 L HN 0.833 nan 8.230 nan 0.000 0.416 425 R N 4.443 124.871 120.500 -0.119 0.000 2.732 425 R HA 1.018 5.358 4.340 0.001 0.000 0.278 425 R C -1.242 174.951 176.300 -0.180 0.000 0.976 425 R CA -0.719 55.223 56.100 -0.262 0.000 0.963 425 R CB 1.717 31.577 30.300 -0.733 0.000 1.150 425 R HN 0.725 nan 8.270 nan 0.000 0.478 426 A N 1.191 123.984 122.820 -0.045 0.000 2.572 426 A HA 0.680 5.001 4.320 0.001 0.000 0.295 426 A C -1.212 176.507 177.584 0.226 0.000 1.072 426 A CA -0.795 51.275 52.037 0.056 0.000 0.691 426 A CB 2.325 21.342 19.000 0.029 0.000 1.291 426 A HN 0.693 nan 8.150 nan 0.000 0.404 427 S N -0.916 114.870 115.700 0.144 0.000 2.599 427 S HA 0.963 5.433 4.470 0.001 0.000 0.287 427 S C -0.118 174.502 174.600 0.033 0.000 1.105 427 S CA -0.132 58.147 58.200 0.130 0.000 0.899 427 S CB 2.120 65.402 63.200 0.137 0.000 1.100 427 S HN 1.940 nan 8.310 nan 0.000 0.482 428 G N 0.196 109.011 108.800 0.025 0.000 2.601 428 G HA2 0.415 4.375 3.960 0.001 0.000 0.291 428 G HA3 0.415 4.375 3.960 0.001 0.000 0.291 428 G C -0.298 174.595 174.900 -0.012 0.000 1.456 428 G CA -0.718 44.343 45.100 -0.065 0.000 0.804 428 G HN 0.404 nan 8.290 nan 0.000 0.499 429 R N -0.761 119.645 120.500 -0.157 0.000 2.148 429 R HA 0.076 4.417 4.340 0.001 0.000 0.223 429 R C 1.268 177.610 176.300 0.070 0.000 1.088 429 R CA 1.563 57.624 56.100 -0.065 0.000 0.985 429 R CB -0.263 29.912 30.300 -0.209 0.000 0.880 429 R HN 0.796 nan 8.270 nan 0.000 0.451 430 T N -4.186 110.299 114.554 -0.115 0.000 2.841 430 T HA 0.363 4.713 4.350 0.001 0.000 0.296 430 T C -2.506 171.817 174.700 -0.627 0.000 1.166 430 T CA -1.836 59.986 62.100 -0.463 0.000 1.007 430 T CB 2.823 71.495 68.868 -0.328 0.000 1.253 430 T HN -0.299 nan 8.240 nan 0.000 0.511 431 P HA 0.024 nan 4.420 nan 0.000 0.218 431 P C 1.037 178.174 177.300 -0.272 0.000 1.149 431 P CA 1.024 63.793 63.100 -0.551 0.000 0.817 431 P CB 0.067 31.461 31.700 -0.511 0.000 0.785 432 E N -0.187 119.858 120.200 -0.258 0.000 2.150 432 E HA -0.096 4.254 4.350 0.001 0.000 0.193 432 E C 2.136 178.656 176.600 -0.134 0.000 0.985 432 E CA 1.317 57.624 56.400 -0.155 0.000 0.814 432 E CB -0.947 28.676 29.700 -0.129 0.000 0.752 432 E HN 0.148 nan 8.360 nan 0.000 0.466 433 A N 0.519 123.236 122.820 -0.172 0.000 1.902 433 A HA -0.154 4.167 4.320 0.001 0.000 0.217 433 A C 2.440 179.958 177.584 -0.109 0.000 1.181 433 A CA 1.357 53.294 52.037 -0.167 0.000 0.623 433 A CB -0.671 18.184 19.000 -0.242 0.000 0.818 433 A HN 0.150 nan 8.150 nan 0.000 0.443 434 V N -0.059 119.804 119.914 -0.084 0.000 2.307 434 V HA -0.250 3.870 4.120 0.001 0.000 0.245 434 V C 2.701 178.777 176.094 -0.030 0.000 1.045 434 V CA 1.931 64.215 62.300 -0.028 0.000 1.024 434 V CB -0.836 31.000 31.823 0.022 0.000 0.651 434 V HN 0.532 nan 8.190 nan 0.000 0.449 435 Q N 0.113 119.884 119.800 -0.048 0.000 2.112 435 Q HA -0.282 4.058 4.340 0.001 0.000 0.206 435 Q C 2.304 178.291 176.000 -0.021 0.000 0.987 435 Q CA 1.918 57.697 55.803 -0.039 0.000 0.858 435 Q CB -0.436 28.271 28.738 -0.052 0.000 0.905 435 Q HN 0.520 nan 8.270 nan 0.000 0.420 436 K N 1.038 121.423 120.400 -0.025 0.000 2.057 436 K HA -0.093 4.228 4.320 0.001 0.000 0.207 436 K C 2.083 178.700 176.600 0.029 0.000 1.049 436 K CA 1.120 57.408 56.287 0.001 0.000 0.931 436 K CB -0.499 31.994 32.500 -0.011 0.000 0.714 436 K HN 0.173 nan 8.250 nan 0.000 0.440 437 L N 0.098 121.327 121.223 0.010 0.000 2.056 437 L HA -0.107 4.233 4.340 0.001 0.000 0.207 437 L C 2.353 179.240 176.870 0.028 0.000 1.078 437 L CA 0.999 55.851 54.840 0.019 0.000 0.749 437 L CB -0.426 41.621 42.059 -0.019 0.000 0.901 437 L HN 0.120 nan 8.230 nan 0.000 0.433 438 L N -0.247 120.983 121.223 0.012 0.000 2.083 438 L HA -0.213 4.127 4.340 0.001 0.000 0.209 438 L C 2.665 179.555 176.870 0.032 0.000 1.083 438 L CA 1.463 56.311 54.840 0.013 0.000 0.752 438 L CB -0.612 41.441 42.059 -0.010 0.000 0.899 438 L HN 0.395 nan 8.230 nan 0.000 0.433 439 E N 0.428 120.648 120.200 0.032 0.000 2.051 439 E HA -0.318 4.033 4.350 0.001 0.000 0.192 439 E C 2.195 178.838 176.600 0.071 0.000 0.991 439 E CA 1.482 57.903 56.400 0.035 0.000 0.799 439 E CB -0.014 29.700 29.700 0.023 0.000 0.748 439 E HN 0.351 nan 8.360 nan 0.000 0.449 440 Q N 0.292 120.172 119.800 0.133 0.000 2.119 440 Q HA -0.039 4.301 4.340 0.001 0.000 0.201 440 Q C 2.030 178.263 176.000 0.389 0.000 0.972 440 Q CA 1.966 57.922 55.803 0.255 0.000 0.847 440 Q CB -0.679 28.266 28.738 0.345 0.000 0.903 440 Q HN 0.387 nan 8.270 nan 0.000 0.433 441 G N 0.791 109.772 108.800 0.302 0.000 2.446 441 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 441 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 441 G C 1.316 176.327 174.900 0.185 0.000 1.168 441 G CA 0.971 46.234 45.100 0.271 0.000 0.771 441 G HN 0.425 nan 8.290 nan 0.000 0.551 442 L N 0.948 122.228 121.223 0.095 0.000 2.012 442 L HA -0.007 4.333 4.340 0.001 0.000 0.210 442 L C 2.731 179.601 176.870 -0.000 0.000 1.073 442 L CA 2.502 57.365 54.840 0.040 0.000 0.748 442 L CB -0.646 41.422 42.059 0.014 0.000 0.891 442 L HN 0.314 nan 8.230 nan 0.000 0.431 443 R N -1.446 119.026 120.500 -0.047 0.000 2.120 443 R HA -0.144 4.197 4.340 0.001 0.000 0.234 443 R C 0.495 176.562 176.300 -0.388 0.000 1.123 443 R CA 1.447 57.410 56.100 -0.230 0.000 0.975 443 R CB -0.271 29.846 30.300 -0.306 0.000 0.866 443 R HN 0.558 nan 8.270 nan 0.000 0.446 444 H N 0.146 119.249 119.070 0.056 0.000 2.505 444 H HA 0.117 4.673 4.556 0.001 0.000 0.260 444 H C 0.901 176.288 175.328 0.098 0.000 1.232 444 H CA 0.378 56.444 56.048 0.031 0.000 0.991 444 H CB 1.081 30.793 29.762 -0.084 0.000 1.729 444 H HN 0.295 nan 8.280 nan 0.000 0.561 445 S N -0.200 115.568 115.700 0.113 0.000 2.474 445 S HA -0.144 4.326 4.470 0.001 0.000 0.235 445 S C 1.433 176.067 174.600 0.057 0.000 0.997 445 S CA 0.880 59.130 58.200 0.083 0.000 0.949 445 S CB 0.138 63.361 63.200 0.039 0.000 0.766 445 S HN 0.354 nan 8.310 nan 0.000 0.517 446 Q N 0.662 120.494 119.800 0.053 0.000 2.319 446 Q HA 0.274 4.614 4.340 0.001 0.000 0.202 446 Q C -0.204 175.815 176.000 0.032 0.000 0.896 446 Q CA 0.047 55.862 55.803 0.021 0.000 0.942 446 Q CB 0.345 29.084 28.738 0.001 0.000 1.083 446 Q HN 0.407 nan 8.270 nan 0.000 0.510 447 D N 0.695 121.146 120.400 0.085 0.000 2.483 447 D HA 0.057 4.698 4.640 0.001 0.000 0.220 447 D C 0.717 177.080 176.300 0.104 0.000 1.173 447 D CA 0.027 54.078 54.000 0.085 0.000 0.964 447 D CB 0.429 41.288 40.800 0.099 0.000 1.046 447 D HN 0.222 nan 8.370 nan 0.000 0.517 448 L N 2.336 123.581 121.223 0.036 0.000 2.042 448 L HA -0.215 4.126 4.340 0.001 0.000 0.210 448 L C 2.482 179.365 176.870 0.023 0.000 1.076 448 L CA 1.360 56.209 54.840 0.016 0.000 0.749 448 L CB -0.413 41.646 42.059 -0.000 0.000 0.893 448 L HN 0.349 nan 8.230 nan 0.000 0.432 449 A N -0.155 122.667 122.820 0.005 0.000 1.902 449 A HA -0.264 4.056 4.320 0.001 0.000 0.217 449 A C 2.168 179.862 177.584 0.183 0.000 1.181 449 A CA 1.530 53.575 52.037 0.013 0.000 0.623 449 A CB -0.793 18.177 19.000 -0.050 0.000 0.818 449 A HN 0.387 nan 8.150 nan 0.000 0.443 450 F N 0.757 120.710 119.950 0.004 0.000 2.102 450 F HA -0.137 4.390 4.527 0.001 0.000 0.298 450 F C 1.908 177.725 175.800 0.027 0.000 1.105 450 F CA 1.692 59.694 58.000 0.003 0.000 1.239 450 F CB -0.399 38.574 39.000 -0.045 0.000 0.991 450 F HN 0.142 nan 8.300 nan 0.000 0.474 451 L N -1.012 120.200 121.223 -0.019 0.000 2.093 451 L HA -0.181 4.159 4.340 0.001 0.000 0.208 451 L C 2.725 179.544 176.870 -0.086 0.000 1.085 451 L CA 1.397 56.161 54.840 -0.127 0.000 0.755 451 L CB -1.139 40.901 42.059 -0.032 0.000 0.904 451 L HN 0.200 nan 8.230 nan 0.000 0.435 452 S N 0.028 115.733 115.700 0.008 0.000 2.368 452 S HA -0.192 4.279 4.470 0.001 0.000 0.225 452 S C 2.068 176.710 174.600 0.070 0.000 1.030 452 S CA 1.386 59.631 58.200 0.074 0.000 0.999 452 S CB -0.102 63.197 63.200 0.165 0.000 0.844 452 S HN 0.282 nan 8.310 nan 0.000 0.459 453 M N 0.530 120.170 119.600 0.066 0.000 2.132 453 M HA -0.002 4.479 4.480 0.001 0.000 0.263 453 M C 2.117 178.356 176.300 -0.103 0.000 1.065 453 M CA 1.217 56.511 55.300 -0.008 0.000 1.122 453 M CB -0.440 32.168 32.600 0.013 0.000 1.365 453 M HN 0.311 nan 8.290 nan 0.000 0.411 454 L N 0.069 121.162 121.223 -0.218 0.000 2.046 454 L HA -0.236 4.105 4.340 0.001 0.000 0.208 454 L C 2.169 178.958 176.870 -0.134 0.000 1.077 454 L CA 0.992 55.689 54.840 -0.238 0.000 0.747 454 L CB -0.835 40.987 42.059 -0.394 0.000 0.896 454 L HN 0.362 nan 8.230 nan 0.000 0.432 455 N N -0.002 118.633 118.700 -0.109 0.000 2.166 455 N HA -0.180 4.561 4.740 0.001 0.000 0.186 455 N C 1.407 176.890 175.510 -0.045 0.000 1.019 455 N CA 1.237 54.242 53.050 -0.076 0.000 0.856 455 N CB -0.288 38.172 38.487 -0.044 0.000 0.993 455 N HN 0.285 nan 8.380 nan 0.000 0.426 456 D N 0.538 120.919 120.400 -0.031 0.000 2.219 456 D HA -0.047 4.593 4.640 0.001 0.000 0.205 456 D C 1.839 178.132 176.300 -0.012 0.000 0.970 456 D CA 0.426 54.415 54.000 -0.019 0.000 0.851 456 D CB -0.022 40.760 40.800 -0.031 0.000 0.943 456 D HN 0.534 nan 8.370 nan 0.000 0.488 457 I N -2.742 117.816 120.570 -0.019 0.000 3.684 457 I HA 0.261 4.432 4.170 0.001 0.000 0.304 457 I C 1.750 177.895 176.117 0.046 0.000 1.278 457 I CA 0.104 61.411 61.300 0.012 0.000 1.272 457 I CB 0.147 38.148 38.000 0.002 0.000 1.029 457 I HN -0.210 nan 8.210 nan 0.000 0.458 458 A N 1.559 124.395 122.820 0.026 0.000 2.123 458 A HA 0.472 4.792 4.320 0.001 0.000 0.214 458 A C 1.795 179.457 177.584 0.130 0.000 1.152 458 A CA 0.582 52.656 52.037 0.062 0.000 0.728 458 A CB -0.441 18.545 19.000 -0.024 0.000 0.814 458 A HN 0.523 nan 8.150 nan 0.000 0.464 459 A N 0.774 123.652 122.820 0.097 0.000 3.037 459 A HA 0.510 4.831 4.320 0.001 0.000 0.272 459 A C -0.251 177.396 177.584 0.106 0.000 1.723 459 A CA -0.045 52.056 52.037 0.107 0.000 1.413 459 A CB -0.827 18.215 19.000 0.070 0.000 1.112 459 A HN 0.218 nan 8.150 nan 0.000 0.606 460 V N 3.577 123.564 119.914 0.122 0.000 2.495 460 V HA 0.369 4.490 4.120 0.001 0.000 0.298 460 V C -2.139 174.000 176.094 0.075 0.000 1.031 460 V CA -1.788 60.585 62.300 0.122 0.000 0.871 460 V CB 1.771 33.698 31.823 0.174 0.000 0.988 460 V HN 0.624 nan 8.190 nan 0.000 0.432 461 P HA 0.095 nan 4.420 nan 0.000 0.267 461 P C 0.603 177.902 177.300 -0.002 0.000 1.200 461 P CA -0.023 63.083 63.100 0.009 0.000 0.772 461 P CB 0.848 32.542 31.700 -0.010 0.000 0.855 462 A N 2.566 125.362 122.820 -0.040 0.000 2.070 462 A HA -0.148 4.173 4.320 0.001 0.000 0.220 462 A C 1.951 179.497 177.584 -0.062 0.000 1.159 462 A CA 2.078 54.073 52.037 -0.071 0.000 0.656 462 A CB -1.679 17.253 19.000 -0.114 0.000 0.800 462 A HN 0.669 nan 8.150 nan 0.000 0.453 463 T N -2.623 111.902 114.554 -0.048 0.000 2.915 463 T HA 0.123 4.473 4.350 0.001 0.000 0.269 463 T C 1.731 176.425 174.700 -0.011 0.000 1.071 463 T CA 1.501 63.576 62.100 -0.043 0.000 1.132 463 T CB -0.269 68.571 68.868 -0.047 0.000 0.878 463 T HN 0.503 nan 8.240 nan 0.000 0.479 464 A N 0.701 123.534 122.820 0.022 0.000 1.997 464 A HA 0.571 4.891 4.320 0.001 0.000 0.212 464 A C 1.387 179.089 177.584 0.197 0.000 1.178 464 A CA 0.049 52.152 52.037 0.110 0.000 0.698 464 A CB 0.062 19.119 19.000 0.095 0.000 0.842 464 A HN 0.517 nan 8.150 nan 0.000 0.458 465 M N 0.728 120.387 119.600 0.099 0.000 1.960 465 M HA 0.251 4.732 4.480 0.001 0.000 0.271 465 M C -2.308 173.989 176.300 -0.005 0.000 0.862 465 M CA -1.631 53.703 55.300 0.056 0.000 0.854 465 M CB 2.326 34.953 32.600 0.045 0.000 1.575 465 M HN 0.013 nan 8.290 nan 0.000 0.375 466 P HA 0.013 nan 4.420 nan 0.000 0.237 466 P C -0.358 176.616 177.300 -0.543 0.000 1.178 466 P CA 0.954 63.887 63.100 -0.277 0.000 0.766 466 P CB 0.018 31.525 31.700 -0.322 0.000 0.876 467 F N 0.108 120.027 119.950 -0.053 0.000 2.480 467 F HA 0.539 5.066 4.527 0.001 0.000 0.329 467 F C 1.117 176.891 175.800 -0.044 0.000 1.091 467 F CA -0.706 57.264 58.000 -0.051 0.000 0.972 467 F CB 1.869 40.838 39.000 -0.052 0.000 1.150 467 F HN -0.429 nan 8.300 nan 0.000 0.467 468 R N 0.533 121.101 120.500 0.113 0.000 2.774 468 R HA 0.817 5.158 4.340 0.001 0.000 0.272 468 R C -0.781 175.608 176.300 0.148 0.000 1.000 468 R CA -1.250 54.904 56.100 0.091 0.000 0.906 468 R CB 2.589 32.800 30.300 -0.148 0.000 1.227 468 R HN 0.890 nan 8.270 nan 0.000 0.468 469 G N 0.545 109.485 108.800 0.234 0.000 2.682 469 G HA2 0.608 4.569 3.960 0.001 0.000 0.290 469 G HA3 0.608 4.569 3.960 0.001 0.000 0.290 469 G C -2.061 173.000 174.900 0.269 0.000 1.425 469 G CA -0.548 44.655 45.100 0.171 0.000 0.807 469 G HN 0.553 nan 8.290 nan 0.000 0.482 470 Y N -2.228 118.111 120.300 0.065 0.000 2.638 470 Y HA 0.852 5.403 4.550 0.001 0.000 0.335 470 Y C -0.732 175.170 175.900 0.003 0.000 1.155 470 Y CA -1.378 56.733 58.100 0.017 0.000 1.046 470 Y CB 1.436 39.904 38.460 0.014 0.000 1.303 470 Y HN 1.374 nan 8.280 nan 0.000 0.460 471 A N 1.606 124.528 122.820 0.170 0.000 2.488 471 A HA 0.659 4.979 4.320 0.001 0.000 0.295 471 A C -2.087 175.608 177.584 0.184 0.000 1.045 471 A CA -0.759 51.324 52.037 0.075 0.000 0.703 471 A CB 1.404 20.410 19.000 0.011 0.000 1.271 471 A HN 0.822 nan 8.150 nan 0.000 0.400 472 V N 3.845 123.870 119.914 0.186 0.000 2.385 472 V HA 0.299 4.420 4.120 0.001 0.000 0.269 472 V C 0.007 176.152 176.094 0.085 0.000 1.043 472 V CA -0.049 62.336 62.300 0.142 0.000 0.906 472 V CB 0.751 32.666 31.823 0.153 0.000 0.995 472 V HN 0.708 nan 8.190 nan 0.000 0.467 473 L N 4.444 125.699 121.223 0.054 0.000 2.312 473 L HA 0.649 4.990 4.340 0.001 0.000 0.281 473 L C 1.332 178.217 176.870 0.025 0.000 1.070 473 L CA 0.204 55.063 54.840 0.032 0.000 0.805 473 L CB 1.120 43.189 42.059 0.017 0.000 1.174 473 L HN 0.865 nan 8.230 nan 0.000 0.434 474 G N 1.872 110.687 108.800 0.026 0.000 2.179 474 G HA2 -0.213 3.748 3.960 0.001 0.000 0.260 474 G HA3 -0.213 3.748 3.960 0.001 0.000 0.260 474 G C 0.464 175.390 174.900 0.044 0.000 0.977 474 G CA 0.051 45.165 45.100 0.025 0.000 0.641 474 G HN 0.976 nan 8.290 nan 0.000 0.533 475 G N -1.231 107.605 108.800 0.059 0.000 2.829 475 G HA2 0.554 4.515 3.960 0.001 0.000 0.173 475 G HA3 0.554 4.515 3.960 0.001 0.000 0.173 475 G C 0.510 175.448 174.900 0.063 0.000 1.476 475 G CA 0.804 45.951 45.100 0.078 0.000 1.072 475 G HN 0.182 nan 8.290 nan 0.000 0.577 476 E N -1.120 119.123 120.200 0.072 0.000 2.702 476 E HA 0.168 4.518 4.350 0.001 0.000 0.225 476 E C 1.244 177.876 176.600 0.054 0.000 0.942 476 E CA -0.074 56.358 56.400 0.053 0.000 1.210 476 E CB 1.007 30.733 29.700 0.044 0.000 1.143 476 E HN 0.402 nan 8.360 nan 0.000 0.544 477 R N 0.688 121.233 120.500 0.074 0.000 3.472 477 R HA 0.475 4.816 4.340 0.001 0.000 0.322 477 R C 0.511 176.849 176.300 0.064 0.000 1.330 477 R CA 0.237 56.382 56.100 0.074 0.000 1.387 477 R CB -0.384 29.984 30.300 0.112 0.000 1.446 477 R HN 0.043 nan 8.270 nan 0.000 0.628 478 G N 0.510 109.335 108.800 0.042 0.000 2.977 478 G HA2 0.493 4.453 3.960 0.001 0.000 0.306 478 G HA3 0.493 4.453 3.960 0.001 0.000 0.306 478 G C 0.189 175.090 174.900 0.003 0.000 0.885 478 G CA 0.227 45.344 45.100 0.029 0.000 1.649 478 G HN 0.825 nan 8.290 nan 0.000 0.514 479 G N 2.362 111.152 108.800 -0.017 0.000 2.620 479 G HA2 0.739 4.700 3.960 0.001 0.000 0.301 479 G HA3 0.739 4.700 3.960 0.001 0.000 0.301 479 G C -2.759 172.074 174.900 -0.111 0.000 1.347 479 G CA -1.224 43.846 45.100 -0.049 0.000 0.971 479 G HN 0.289 nan 8.290 nan 0.000 0.488 480 P HA 0.318 nan 4.420 nan 0.000 0.271 480 P C -0.909 176.240 177.300 -0.252 0.000 1.218 480 P CA -0.083 62.908 63.100 -0.182 0.000 0.780 480 P CB 1.585 33.223 31.700 -0.104 0.000 0.901 481 E N 0.945 120.898 120.200 -0.411 0.000 2.210 481 E HA 0.500 4.850 4.350 0.001 0.000 0.266 481 E C -0.862 175.614 176.600 -0.207 0.000 0.883 481 E CA -0.822 55.353 56.400 -0.375 0.000 0.761 481 E CB 2.480 31.738 29.700 -0.737 0.000 1.156 481 E HN 0.128 nan 8.360 nan 0.000 0.412 482 V N 2.660 122.526 119.914 -0.081 0.000 2.841 482 V HA 0.512 4.633 4.120 0.001 0.000 0.310 482 V C -0.507 175.618 176.094 0.053 0.000 1.090 482 V CA -0.794 61.511 62.300 0.008 0.000 0.930 482 V CB 2.211 34.040 31.823 0.011 0.000 1.014 482 V HN 0.737 nan 8.190 nan 0.000 0.425 483 Q N 2.021 121.883 119.800 0.104 0.000 2.578 483 Q HA 0.556 4.896 4.340 0.001 0.000 0.284 483 Q C -1.275 174.770 176.000 0.075 0.000 0.960 483 Q CA -0.938 54.924 55.803 0.099 0.000 0.809 483 Q CB 2.060 30.819 28.738 0.035 0.000 1.462 483 Q HN 0.666 nan 8.270 nan 0.000 0.392 484 Q N 1.050 120.834 119.800 -0.027 0.000 2.327 484 Q HA 0.426 4.766 4.340 0.001 0.000 0.254 484 Q C -1.167 174.659 176.000 -0.290 0.000 0.952 484 Q CA -0.510 55.029 55.803 -0.440 0.000 0.884 484 Q CB 1.356 29.830 28.738 -0.440 0.000 1.224 484 Q HN 0.524 nan 8.270 nan 0.000 0.422 485 V N 6.940 126.647 119.914 -0.344 0.000 2.408 485 V HA 0.260 4.380 4.120 0.001 0.000 0.267 485 V C -2.005 173.967 176.094 -0.204 0.000 1.047 485 V CA -1.634 60.531 62.300 -0.225 0.000 0.937 485 V CB 0.490 32.187 31.823 -0.210 0.000 0.999 485 V HN 0.877 nan 8.190 nan 0.000 0.472 486 P HA 0.141 nan 4.420 nan 0.000 0.261 486 P C -0.014 177.182 177.300 -0.174 0.000 1.183 486 P CA 0.237 63.245 63.100 -0.154 0.000 0.761 486 P CB 0.391 32.015 31.700 -0.126 0.000 0.785 487 A N 3.196 125.909 122.820 -0.178 0.000 2.366 487 A HA 0.618 4.938 4.320 0.001 0.000 0.249 487 A C 0.826 178.285 177.584 -0.208 0.000 1.084 487 A CA 0.696 52.633 52.037 -0.167 0.000 0.794 487 A CB -0.554 18.365 19.000 -0.136 0.000 1.034 487 A HN 0.891 nan 8.150 nan 0.000 0.491 488 G N -0.162 108.542 108.800 -0.159 0.000 2.515 488 G HA2 0.054 4.014 3.960 0.001 0.000 0.686 488 G HA3 0.054 4.014 3.960 0.001 0.000 0.686 488 G C -0.680 174.159 174.900 -0.102 0.000 1.274 488 G CA -0.428 44.581 45.100 -0.153 0.000 0.874 488 G HN 0.884 nan 8.290 nan 0.000 0.631 489 E N 0.372 120.540 120.200 -0.055 0.000 2.316 489 E HA 0.306 4.656 4.350 0.001 0.000 0.275 489 E C 0.256 176.863 176.600 0.011 0.000 1.029 489 E CA -0.042 56.348 56.400 -0.018 0.000 0.871 489 E CB 0.542 30.243 29.700 0.003 0.000 1.022 489 E HN 0.398 nan 8.360 nan 0.000 0.418 490 R N 4.639 125.150 120.500 0.019 0.000 2.358 490 R HA 0.313 4.653 4.340 0.001 0.000 0.309 490 R C -2.318 174.031 176.300 0.081 0.000 1.026 490 R CA -1.834 54.299 56.100 0.056 0.000 0.909 490 R CB 1.368 31.686 30.300 0.031 0.000 1.153 490 R HN 0.305 nan 8.270 nan 0.000 0.515 491 P HA 0.019 nan 4.420 nan 0.000 0.271 491 P C -0.637 176.807 177.300 0.241 0.000 1.216 491 P CA -0.527 62.678 63.100 0.176 0.000 0.776 491 P CB 0.854 32.738 31.700 0.306 0.000 0.881 492 L N 4.648 125.943 121.223 0.120 0.000 2.264 492 L HA 0.488 4.829 4.340 0.001 0.000 0.289 492 L C -1.298 175.591 176.870 0.031 0.000 1.044 492 L CA -0.232 54.682 54.840 0.123 0.000 0.807 492 L CB 0.159 42.236 42.059 0.031 0.000 1.192 492 L HN 0.277 nan 8.230 nan 0.000 0.425 493 W N 4.874 126.203 121.300 0.048 0.000 2.632 493 W HA 0.535 5.196 4.660 0.001 0.000 0.328 493 W C -0.941 175.759 176.519 0.302 0.000 1.044 493 W CA -0.328 57.053 57.345 0.061 0.000 1.225 493 W CB 1.524 31.015 29.460 0.051 0.000 1.396 493 W HN 0.182 nan 8.180 nan 0.000 0.499 494 F N 4.879 124.903 119.950 0.124 0.000 2.427 494 F HA 0.463 4.991 4.527 0.001 0.000 0.346 494 F C 0.051 175.945 175.800 0.158 0.000 1.120 494 F CA -2.033 56.025 58.000 0.096 0.000 1.033 494 F CB 0.844 39.846 39.000 0.004 0.000 1.126 494 F HN -0.076 nan 8.300 nan 0.000 0.462 495 I N 3.541 124.313 120.570 0.338 0.000 2.355 495 I HA 0.202 4.372 4.170 0.001 0.000 0.288 495 I C -0.515 175.729 176.117 0.212 0.000 0.999 495 I CA -0.501 60.982 61.300 0.306 0.000 1.163 495 I CB 0.999 39.189 38.000 0.318 0.000 1.316 495 I HN 0.408 nan 8.210 nan 0.000 0.454 496 C N 5.262 124.682 119.300 0.199 0.000 2.246 496 C HA 0.417 4.878 4.460 0.001 0.000 0.329 496 C C 1.233 176.290 174.990 0.112 0.000 1.221 496 C CA -0.378 58.710 59.018 0.116 0.000 1.697 496 C CB -0.297 27.487 27.740 0.073 0.000 2.312 496 C HN 0.792 nan 8.230 nan 0.000 0.509 497 S N 1.853 117.581 115.700 0.047 0.000 2.608 497 S HA 0.577 5.047 4.470 0.001 0.000 0.261 497 S C 0.887 175.473 174.600 -0.024 0.000 1.314 497 S CA -0.115 58.066 58.200 -0.031 0.000 0.992 497 S CB 0.972 64.127 63.200 -0.076 0.000 0.935 497 S HN 0.962 nan 8.310 nan 0.000 0.564 498 G N 0.239 108.998 108.800 -0.070 0.000 3.310 498 G HA2 0.465 4.425 3.960 0.001 0.000 0.176 498 G HA3 0.465 4.425 3.960 0.001 0.000 0.176 498 G C 0.027 174.904 174.900 -0.037 0.000 1.307 498 G CA -0.806 44.281 45.100 -0.022 0.000 0.935 498 G HN 0.637 nan 8.290 nan 0.000 0.628 499 M N -0.133 119.459 119.600 -0.014 0.000 2.207 499 M HA 0.433 4.913 4.480 0.001 0.000 0.311 499 M C 1.167 177.497 176.300 0.050 0.000 1.127 499 M CA 0.945 56.267 55.300 0.037 0.000 1.181 499 M CB -0.130 32.509 32.600 0.065 0.000 1.409 499 M HN 1.522 nan 8.290 nan 0.000 0.461 500 G N 0.179 109.037 108.800 0.097 0.000 2.157 500 G HA2 -0.262 3.698 3.960 0.001 0.000 0.248 500 G HA3 -0.262 3.698 3.960 0.001 0.000 0.248 500 G C 0.492 175.473 174.900 0.135 0.000 0.979 500 G CA 0.695 45.863 45.100 0.112 0.000 0.650 500 G HN 1.101 nan 8.290 nan 0.000 0.529 501 T N -1.748 112.881 114.554 0.124 0.000 3.023 501 T HA 0.365 4.715 4.350 0.001 0.000 0.253 501 T C 1.046 175.888 174.700 0.236 0.000 1.038 501 T CA 0.863 63.084 62.100 0.202 0.000 0.962 501 T CB 0.287 69.233 68.868 0.130 0.000 1.018 501 T HN 0.812 nan 8.240 nan 0.000 0.521 502 Q N 1.915 121.774 119.800 0.098 0.000 2.340 502 Q HA 0.304 4.645 4.340 0.001 0.000 0.249 502 Q C -0.602 175.494 176.000 0.159 0.000 0.957 502 Q CA -0.690 55.066 55.803 -0.077 0.000 0.882 502 Q CB 0.828 29.368 28.738 -0.331 0.000 1.235 502 Q HN 0.749 nan 8.270 nan 0.000 0.439 503 W N 0.904 122.159 121.300 -0.074 0.000 3.213 503 W HA 0.465 5.125 4.660 0.001 0.000 0.318 503 W C -1.032 175.624 176.519 0.228 0.000 1.248 503 W CA -1.046 56.344 57.345 0.074 0.000 1.187 503 W CB 0.774 30.224 29.460 -0.016 0.000 1.403 503 W HN 0.769 nan 8.180 nan 0.000 0.556 504 R N 1.502 122.255 120.500 0.421 0.000 2.449 504 R HA 0.368 4.709 4.340 0.001 0.000 0.296 504 R C 1.171 177.559 176.300 0.147 0.000 1.047 504 R CA 1.839 58.103 56.100 0.274 0.000 1.018 504 R CB -0.123 30.292 30.300 0.191 0.000 0.962 504 R HN 1.160 nan 8.270 nan 0.000 0.428 505 G N 4.040 112.831 108.800 -0.015 0.000 2.176 505 G HA2 -0.299 3.661 3.960 0.001 0.000 0.253 505 G HA3 -0.299 3.661 3.960 0.001 0.000 0.253 505 G C 0.280 174.853 174.900 -0.545 0.000 0.979 505 G CA 0.272 45.296 45.100 -0.128 0.000 0.641 505 G HN 0.716 nan 8.290 nan 0.000 0.530 506 M N -0.724 118.212 119.600 -1.107 0.000 2.251 506 M HA 0.464 4.944 4.480 0.001 0.000 0.343 506 M C 1.525 177.495 176.300 -0.549 0.000 1.245 506 M CA 1.428 55.807 55.300 -1.535 0.000 1.061 506 M CB 0.825 32.414 32.600 -1.685 0.000 1.723 506 M HN 1.663 nan 8.290 nan 0.000 0.449 507 G N 2.601 111.208 108.800 -0.321 0.000 2.234 507 G HA2 -0.275 3.686 3.960 0.001 0.000 0.260 507 G HA3 -0.275 3.686 3.960 0.001 0.000 0.260 507 G C 0.555 175.414 174.900 -0.067 0.000 0.987 507 G CA 0.488 45.520 45.100 -0.113 0.000 0.625 507 G HN 0.752 nan 8.290 nan 0.000 0.532 508 L N 0.839 122.021 121.223 -0.068 0.000 2.083 508 L HA -0.064 4.276 4.340 0.001 0.000 0.209 508 L C 2.950 179.815 176.870 -0.008 0.000 1.083 508 L CA 2.011 56.844 54.840 -0.012 0.000 0.752 508 L CB -0.522 41.536 42.059 -0.001 0.000 0.899 508 L HN 0.441 nan 8.230 nan 0.000 0.433 509 S N 0.037 115.730 115.700 -0.011 0.000 2.383 509 S HA -0.093 4.378 4.470 0.001 0.000 0.227 509 S C 1.917 176.457 174.600 -0.099 0.000 1.026 509 S CA 0.919 59.115 58.200 -0.005 0.000 0.981 509 S CB -0.090 63.142 63.200 0.054 0.000 0.818 509 S HN 0.337 nan 8.310 nan 0.000 0.472 510 L N 1.043 122.100 121.223 -0.278 0.000 2.376 510 L HA 0.059 4.399 4.340 0.001 0.000 0.219 510 L C 2.334 179.035 176.870 -0.281 0.000 1.133 510 L CA 0.380 54.893 54.840 -0.545 0.000 0.816 510 L CB -0.367 40.870 42.059 -1.370 0.000 0.933 510 L HN 0.345 nan 8.230 nan 0.000 0.449 511 M N -0.354 119.227 119.600 -0.031 0.000 2.435 511 M HA -0.188 4.292 4.480 0.001 0.000 0.262 511 M C 2.034 178.375 176.300 0.068 0.000 1.065 511 M CA 1.530 56.917 55.300 0.145 0.000 1.076 511 M CB -0.985 31.680 32.600 0.108 0.000 1.403 511 M HN 0.187 nan 8.290 nan 0.000 0.454 512 R N -0.640 119.872 120.500 0.020 0.000 2.235 512 R HA 0.033 4.374 4.340 0.001 0.000 0.213 512 R C 0.002 176.322 176.300 0.032 0.000 1.059 512 R CA 0.228 56.351 56.100 0.039 0.000 0.997 512 R CB -0.029 30.304 30.300 0.054 0.000 0.884 512 R HN 0.095 nan 8.270 nan 0.000 0.462 513 L N 1.461 122.673 121.223 -0.019 0.000 2.281 513 L HA 0.061 4.402 4.340 0.001 0.000 0.285 513 L C 0.533 177.391 176.870 -0.020 0.000 1.074 513 L CA 0.273 55.066 54.840 -0.078 0.000 0.817 513 L CB 1.272 43.217 42.059 -0.191 0.000 1.168 513 L HN -0.008 nan 8.230 nan 0.000 0.434 514 D N 2.081 122.461 120.400 -0.034 0.000 2.133 514 D HA -0.205 4.435 4.640 0.001 0.000 0.195 514 D C 1.988 178.273 176.300 -0.024 0.000 0.997 514 D CA 1.300 55.289 54.000 -0.018 0.000 0.840 514 D CB 0.238 41.023 40.800 -0.025 0.000 0.947 514 D HN 0.459 nan 8.370 nan 0.000 0.452 515 R N -0.821 119.654 120.500 -0.042 0.000 2.075 515 R HA -0.094 4.247 4.340 0.001 0.000 0.232 515 R C 2.228 178.515 176.300 -0.021 0.000 1.126 515 R CA 0.747 56.825 56.100 -0.037 0.000 0.963 515 R CB -0.355 29.917 30.300 -0.046 0.000 0.858 515 R HN 0.132 nan 8.270 nan 0.000 0.435 516 F N 1.071 120.931 119.950 -0.150 0.000 2.113 516 F HA -0.122 4.405 4.527 0.001 0.000 0.297 516 F C 2.511 178.241 175.800 -0.116 0.000 1.103 516 F CA 1.509 59.416 58.000 -0.155 0.000 1.248 516 F CB -0.153 38.722 39.000 -0.209 0.000 0.999 516 F HN -0.108 nan 8.300 nan 0.000 0.475 517 R N 0.447 120.988 120.500 0.068 0.000 2.083 517 R HA -0.193 4.147 4.340 0.001 0.000 0.237 517 R C 1.828 178.070 176.300 -0.098 0.000 1.137 517 R CA 2.242 58.339 56.100 -0.005 0.000 0.951 517 R CB -0.696 29.622 30.300 0.029 0.000 0.851 517 R HN 0.254 nan 8.270 nan 0.000 0.434 518 D N -0.271 120.079 120.400 -0.083 0.000 2.144 518 D HA -0.137 4.503 4.640 0.001 0.000 0.199 518 D C 1.832 178.052 176.300 -0.134 0.000 0.984 518 D CA 1.362 55.310 54.000 -0.087 0.000 0.834 518 D CB -0.311 40.453 40.800 -0.060 0.000 0.955 518 D HN 0.191 nan 8.370 nan 0.000 0.465 519 S N -0.088 115.493 115.700 -0.198 0.000 2.368 519 S HA -0.107 4.363 4.470 0.001 0.000 0.225 519 S C 1.980 176.401 174.600 -0.298 0.000 1.030 519 S CA 0.539 58.587 58.200 -0.254 0.000 0.999 519 S CB -0.089 62.909 63.200 -0.336 0.000 0.844 519 S HN 0.064 nan 8.310 nan 0.000 0.459 520 I N 1.906 122.250 120.570 -0.377 0.000 2.226 520 I HA -0.130 4.040 4.170 0.001 0.000 0.245 520 I C 2.295 178.306 176.117 -0.176 0.000 1.100 520 I CA 1.186 62.302 61.300 -0.306 0.000 1.374 520 I CB -1.508 36.308 38.000 -0.306 0.000 1.057 520 I HN 0.368 nan 8.210 nan 0.000 0.413 521 L N -0.113 121.027 121.223 -0.139 0.000 2.083 521 L HA -0.200 4.141 4.340 0.001 0.000 0.209 521 L C 2.765 179.581 176.870 -0.089 0.000 1.083 521 L CA 1.168 55.952 54.840 -0.094 0.000 0.752 521 L CB -0.616 41.401 42.059 -0.071 0.000 0.899 521 L HN 0.186 nan 8.230 nan 0.000 0.433 522 R N -0.292 120.147 120.500 -0.102 0.000 2.075 522 R HA -0.119 4.222 4.340 0.001 0.000 0.232 522 R C 2.517 178.762 176.300 -0.091 0.000 1.126 522 R CA 1.563 57.611 56.100 -0.087 0.000 0.963 522 R CB -0.042 30.204 30.300 -0.090 0.000 0.858 522 R HN 0.212 nan 8.270 nan 0.000 0.435 523 S N 0.705 116.332 115.700 -0.122 0.000 2.382 523 S HA -0.120 4.351 4.470 0.001 0.000 0.228 523 S C 1.162 175.717 174.600 -0.076 0.000 1.027 523 S CA 1.291 59.425 58.200 -0.110 0.000 0.991 523 S CB -0.233 62.880 63.200 -0.146 0.000 0.823 523 S HN 0.350 nan 8.310 nan 0.000 0.469 524 D N 1.305 121.658 120.400 -0.078 0.000 2.123 524 D HA -0.100 4.540 4.640 0.001 0.000 0.196 524 D C 2.057 178.325 176.300 -0.054 0.000 0.992 524 D CA 0.937 54.900 54.000 -0.061 0.000 0.833 524 D CB -0.250 40.513 40.800 -0.061 0.000 0.954 524 D HN 0.251 nan 8.370 nan 0.000 0.455 525 E N 0.443 120.610 120.200 -0.055 0.000 2.110 525 E HA -0.105 4.245 4.350 0.001 0.000 0.193 525 E C 2.060 178.633 176.600 -0.046 0.000 0.988 525 E CA 0.819 57.188 56.400 -0.051 0.000 0.804 525 E CB -0.341 29.331 29.700 -0.046 0.000 0.745 525 E HN 0.247 nan 8.360 nan 0.000 0.458 526 A N 0.919 123.719 122.820 -0.032 0.000 1.933 526 A HA -0.140 4.181 4.320 0.001 0.000 0.218 526 A C 2.333 179.927 177.584 0.016 0.000 1.175 526 A CA 1.895 53.931 52.037 -0.001 0.000 0.628 526 A CB -0.401 18.604 19.000 0.007 0.000 0.814 526 A HN 0.205 nan 8.150 nan 0.000 0.444 527 V N -2.783 117.127 119.914 -0.007 0.000 3.647 527 V HA 0.168 4.288 4.120 0.001 0.000 0.279 527 V C 1.800 177.866 176.094 -0.046 0.000 1.314 527 V CA 1.171 63.481 62.300 0.016 0.000 1.125 527 V CB -0.561 31.248 31.823 -0.024 0.000 0.907 527 V HN 0.495 nan 8.190 nan 0.000 0.434 528 K N 1.854 122.200 120.400 -0.090 0.000 2.074 528 K HA -0.103 4.217 4.320 0.001 0.000 0.209 528 K C -0.317 176.161 176.600 -0.204 0.000 1.048 528 K CA 2.241 58.460 56.287 -0.114 0.000 0.926 528 K CB -1.142 31.299 32.500 -0.098 0.000 0.713 528 K HN 0.477 nan 8.250 nan 0.000 0.444 529 P HA -0.103 nan 4.420 nan 0.000 0.225 529 P C 0.025 176.892 177.300 -0.723 0.000 1.148 529 P CA 1.012 63.762 63.100 -0.584 0.000 0.779 529 P CB 0.091 31.281 31.700 -0.850 0.000 0.780 530 F N -1.689 118.134 119.950 -0.212 0.000 2.639 530 F HA 0.437 4.965 4.527 0.001 0.000 0.300 530 F C 1.632 177.366 175.800 -0.110 0.000 1.109 530 F CA -0.050 57.809 58.000 -0.234 0.000 1.335 530 F CB -0.708 37.905 39.000 -0.646 0.000 1.014 530 F HN -0.081 nan 8.300 nan 0.000 0.537 531 G N 0.830 109.626 108.800 -0.007 0.000 2.179 531 G HA2 -0.274 3.687 3.960 0.001 0.000 0.257 531 G HA3 -0.274 3.687 3.960 0.001 0.000 0.257 531 G C -0.356 174.565 174.900 0.035 0.000 1.010 531 G CA -0.106 45.003 45.100 0.015 0.000 0.736 531 G HN 0.185 nan 8.290 nan 0.000 0.513 532 L N -0.577 120.663 121.223 0.029 0.000 2.333 532 L HA 0.827 5.167 4.340 0.001 0.000 0.269 532 L C 0.183 177.044 176.870 -0.014 0.000 1.010 532 L CA -1.081 53.777 54.840 0.030 0.000 0.818 532 L CB 2.057 44.162 42.059 0.076 0.000 1.306 532 L HN 0.134 nan 8.230 nan 0.000 0.430 533 K N 1.223 121.603 120.400 -0.034 0.000 2.668 533 K HA 0.315 4.635 4.320 0.001 0.000 0.246 533 K C 0.276 176.845 176.600 -0.051 0.000 0.976 533 K CA -0.315 55.946 56.287 -0.045 0.000 0.902 533 K CB 1.670 34.140 32.500 -0.050 0.000 1.172 533 K HN 0.367 nan 8.250 nan 0.000 0.452 534 V N 1.789 121.680 119.914 -0.039 0.000 2.282 534 V HA -0.322 3.799 4.120 0.001 0.000 0.249 534 V C 2.159 178.233 176.094 -0.034 0.000 1.057 534 V CA 2.579 64.861 62.300 -0.030 0.000 1.032 534 V CB -0.590 31.207 31.823 -0.043 0.000 0.645 534 V HN 0.902 nan 8.190 nan 0.000 0.447 535 S N -0.522 115.150 115.700 -0.046 0.000 2.400 535 S HA -0.325 4.145 4.470 0.001 0.000 0.232 535 S C 1.899 176.476 174.600 -0.038 0.000 1.025 535 S CA 1.701 59.879 58.200 -0.037 0.000 0.993 535 S CB -0.456 62.720 63.200 -0.039 0.000 0.808 535 S HN 0.516 nan 8.310 nan 0.000 0.478 536 Q N 1.224 120.991 119.800 -0.055 0.000 2.123 536 Q HA 0.264 4.605 4.340 0.001 0.000 0.199 536 Q C 2.069 178.005 176.000 -0.106 0.000 0.966 536 Q CA 1.163 56.923 55.803 -0.072 0.000 0.845 536 Q CB -0.660 28.032 28.738 -0.077 0.000 0.907 536 Q HN 0.659 nan 8.270 nan 0.000 0.439 537 L N -0.426 120.724 121.223 -0.122 0.000 2.083 537 L HA -0.164 4.176 4.340 0.001 0.000 0.209 537 L C 2.063 178.887 176.870 -0.077 0.000 1.083 537 L CA 0.867 55.596 54.840 -0.185 0.000 0.752 537 L CB -0.488 41.500 42.059 -0.120 0.000 0.899 537 L HN 0.239 nan 8.230 nan 0.000 0.433 538 L N -0.669 120.568 121.223 0.024 0.000 2.141 538 L HA -0.184 4.156 4.340 0.001 0.000 0.209 538 L C 2.341 179.202 176.870 -0.015 0.000 1.094 538 L CA 1.025 55.896 54.840 0.052 0.000 0.763 538 L CB -0.371 41.700 42.059 0.021 0.000 0.908 538 L HN 0.300 nan 8.230 nan 0.000 0.437 539 L N -0.723 120.478 121.223 -0.038 0.000 2.418 539 L HA 0.005 4.345 4.340 0.001 0.000 0.218 539 L C 1.505 178.339 176.870 -0.060 0.000 1.125 539 L CA -0.182 54.634 54.840 -0.039 0.000 0.835 539 L CB -0.026 42.012 42.059 -0.035 0.000 0.953 539 L HN 0.126 nan 8.230 nan 0.000 0.454 540 S N -0.086 115.551 115.700 -0.105 0.000 2.563 540 S HA -0.062 4.408 4.470 0.001 0.000 0.294 540 S C 1.347 175.888 174.600 -0.098 0.000 1.279 540 S CA 0.273 58.393 58.200 -0.133 0.000 1.069 540 S CB 0.542 63.598 63.200 -0.239 0.000 0.828 540 S HN 0.427 nan 8.310 nan 0.000 0.497 541 T N 0.957 115.470 114.554 -0.068 0.000 3.086 541 T HA 0.177 4.528 4.350 0.001 0.000 0.250 541 T C 0.149 174.824 174.700 -0.041 0.000 1.074 541 T CA -0.397 61.681 62.100 -0.036 0.000 0.988 541 T CB -0.059 68.798 68.868 -0.018 0.000 0.988 541 T HN 0.543 nan 8.240 nan 0.000 0.530 542 D N 2.036 122.391 120.400 -0.074 0.000 2.317 542 D HA 0.136 4.776 4.640 0.001 0.000 0.252 542 D C 1.030 177.287 176.300 -0.072 0.000 1.174 542 D CA -0.166 53.794 54.000 -0.067 0.000 0.866 542 D CB 1.635 42.389 40.800 -0.077 0.000 1.127 542 D HN 0.220 nan 8.370 nan 0.000 0.467 543 E N 1.949 122.135 120.200 -0.024 0.000 2.265 543 E HA -0.157 4.193 4.350 0.001 0.000 0.196 543 E C 1.409 178.012 176.600 0.006 0.000 0.996 543 E CA 1.182 57.588 56.400 0.009 0.000 0.832 543 E CB 0.080 29.800 29.700 0.033 0.000 0.756 543 E HN 0.355 nan 8.360 nan 0.000 0.491 544 S N -2.065 113.624 115.700 -0.019 0.000 2.575 544 S HA 0.028 4.498 4.470 0.001 0.000 0.215 544 S C 1.710 176.288 174.600 -0.035 0.000 0.966 544 S CA 0.462 58.659 58.200 -0.005 0.000 0.911 544 S CB -0.163 63.037 63.200 -0.000 0.000 0.780 544 S HN 0.151 nan 8.310 nan 0.000 0.514 545 T N 2.270 116.736 114.554 -0.148 0.000 2.653 545 T HA -0.082 4.269 4.350 0.001 0.000 0.268 545 T C 0.623 175.212 174.700 -0.184 0.000 1.035 545 T CA 1.657 63.600 62.100 -0.261 0.000 1.154 545 T CB -0.542 67.959 68.868 -0.612 0.000 0.862 545 T HN 0.558 nan 8.240 nan 0.000 0.441 546 F N 1.209 121.216 119.950 0.096 0.000 2.731 546 F HA 0.214 4.742 4.527 0.001 0.000 0.304 546 F C 1.584 177.422 175.800 0.063 0.000 1.133 546 F CA -0.703 57.350 58.000 0.089 0.000 1.380 546 F CB -0.367 38.671 39.000 0.064 0.000 1.079 546 F HN 0.073 nan 8.300 nan 0.000 0.550 547 D N -0.613 119.877 120.400 0.150 0.000 2.323 547 D HA -0.088 4.553 4.640 0.001 0.000 0.209 547 D C 0.657 176.971 176.300 0.024 0.000 0.973 547 D CA 0.632 54.685 54.000 0.089 0.000 0.874 547 D CB -0.050 40.783 40.800 0.054 0.000 0.930 547 D HN 0.177 nan 8.370 nan 0.000 0.521 548 D N 0.942 121.336 120.400 -0.010 0.000 2.317 548 D HA 0.006 4.646 4.640 0.001 0.000 0.252 548 D C 1.415 177.619 176.300 -0.161 0.000 1.174 548 D CA -0.287 53.615 54.000 -0.163 0.000 0.866 548 D CB 1.201 41.743 40.800 -0.430 0.000 1.127 548 D HN 0.019 nan 8.370 nan 0.000 0.467 549 I N 3.866 124.289 120.570 -0.244 0.000 2.264 549 I HA -0.270 3.901 4.170 0.001 0.000 0.248 549 I C 1.811 177.589 176.117 -0.565 0.000 1.111 549 I CA 0.923 61.953 61.300 -0.450 0.000 1.382 549 I CB 0.378 38.094 38.000 -0.473 0.000 1.060 549 I HN 0.308 nan 8.210 nan 0.000 0.418 550 V N 0.532 120.224 119.914 -0.370 0.000 2.307 550 V HA -0.306 3.815 4.120 0.001 0.000 0.245 550 V C 2.189 178.311 176.094 0.047 0.000 1.045 550 V CA 2.188 64.355 62.300 -0.223 0.000 1.024 550 V CB -1.019 30.663 31.823 -0.236 0.000 0.651 550 V HN 0.501 nan 8.190 nan 0.000 0.449 551 H N 0.446 119.526 119.070 0.018 0.000 2.319 551 H HA -0.170 4.386 4.556 0.001 0.000 0.299 551 H C 2.557 178.045 175.328 0.267 0.000 1.092 551 H CA 1.633 57.771 56.048 0.150 0.000 1.302 551 H CB -0.030 29.809 29.762 0.128 0.000 1.373 551 H HN 0.586 nan 8.280 nan 0.000 0.497 552 S N 0.582 116.496 115.700 0.358 0.000 2.387 552 S HA -0.136 4.334 4.470 0.001 0.000 0.226 552 S C 1.938 176.682 174.600 0.240 0.000 1.026 552 S CA 0.709 59.053 58.200 0.241 0.000 0.972 552 S CB -0.428 62.895 63.200 0.205 0.000 0.814 552 S HN 0.166 nan 8.310 nan 0.000 0.477 553 F N 2.146 122.114 119.950 0.029 0.000 2.075 553 F HA 0.044 4.571 4.527 0.001 0.000 0.297 553 F C 2.723 178.519 175.800 -0.007 0.000 1.113 553 F CA -0.040 57.951 58.000 -0.014 0.000 1.218 553 F CB -1.314 37.668 39.000 -0.031 0.000 0.984 553 F HN 0.086 nan 8.300 nan 0.000 0.472 554 V N -0.904 119.152 119.914 0.237 0.000 2.343 554 V HA -0.257 3.864 4.120 0.001 0.000 0.247 554 V C 2.367 178.501 176.094 0.066 0.000 1.051 554 V CA 2.029 64.414 62.300 0.141 0.000 1.036 554 V CB -0.888 31.034 31.823 0.165 0.000 0.654 554 V HN 0.269 nan 8.190 nan 0.000 0.451 555 S N -0.384 115.358 115.700 0.071 0.000 2.387 555 S HA -0.090 4.380 4.470 0.001 0.000 0.226 555 S C 1.829 176.368 174.600 -0.102 0.000 1.026 555 S CA 1.223 59.411 58.200 -0.020 0.000 0.972 555 S CB -0.249 62.942 63.200 -0.014 0.000 0.814 555 S HN 0.418 nan 8.310 nan 0.000 0.477 556 L N 1.356 122.527 121.223 -0.088 0.000 1.994 556 L HA -0.125 4.215 4.340 0.001 0.000 0.208 556 L C 2.519 179.349 176.870 -0.066 0.000 1.071 556 L CA 1.573 56.362 54.840 -0.086 0.000 0.745 556 L CB -0.920 41.113 42.059 -0.043 0.000 0.892 556 L HN 0.229 nan 8.230 nan 0.000 0.431 557 T N -0.419 114.103 114.554 -0.053 0.000 2.684 557 T HA -0.222 4.129 4.350 0.001 0.000 0.267 557 T C 1.867 176.495 174.700 -0.119 0.000 1.036 557 T CA 1.334 63.389 62.100 -0.075 0.000 1.148 557 T CB -0.517 68.317 68.868 -0.055 0.000 0.863 557 T HN 0.506 nan 8.240 nan 0.000 0.436 558 A N 1.034 123.784 122.820 -0.117 0.000 1.908 558 A HA -0.045 4.276 4.320 0.001 0.000 0.218 558 A C 2.314 179.772 177.584 -0.209 0.000 1.181 558 A CA 1.310 53.241 52.037 -0.176 0.000 0.627 558 A CB -0.792 18.121 19.000 -0.145 0.000 0.818 558 A HN 0.529 nan 8.150 nan 0.000 0.445 559 I N -0.810 119.684 120.570 -0.126 0.000 2.252 559 I HA -0.286 3.884 4.170 0.001 0.000 0.245 559 I C 2.796 178.914 176.117 0.001 0.000 1.102 559 I CA 1.390 62.673 61.300 -0.027 0.000 1.385 559 I CB -0.396 37.631 38.000 0.046 0.000 1.064 559 I HN 0.451 nan 8.210 nan 0.000 0.414 560 Q N 0.479 120.256 119.800 -0.038 0.000 2.124 560 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 560 Q C 2.347 178.313 176.000 -0.056 0.000 0.977 560 Q CA 1.477 57.265 55.803 -0.025 0.000 0.850 560 Q CB -0.034 28.685 28.738 -0.032 0.000 0.901 560 Q HN 0.544 nan 8.270 nan 0.000 0.429 561 I N -0.004 120.467 120.570 -0.166 0.000 2.252 561 I HA -0.189 3.981 4.170 0.001 0.000 0.245 561 I C 2.279 178.275 176.117 -0.202 0.000 1.102 561 I CA 1.092 62.209 61.300 -0.304 0.000 1.385 561 I CB -0.475 37.167 38.000 -0.596 0.000 1.064 561 I HN 0.277 nan 8.210 nan 0.000 0.414 562 G N 0.796 109.438 108.800 -0.263 0.000 2.422 562 G HA2 -0.173 3.787 3.960 0.001 0.000 0.218 562 G HA3 -0.173 3.787 3.960 0.001 0.000 0.218 562 G C 1.705 176.631 174.900 0.043 0.000 1.146 562 G CA 0.405 45.297 45.100 -0.347 0.000 0.769 562 G HN 0.256 nan 8.290 nan 0.000 0.547 563 L N -0.077 121.229 121.223 0.139 0.000 2.093 563 L HA 0.057 4.398 4.340 0.001 0.000 0.208 563 L C 2.807 179.712 176.870 0.059 0.000 1.085 563 L CA 0.507 55.418 54.840 0.117 0.000 0.755 563 L CB -0.283 41.833 42.059 0.095 0.000 0.904 563 L HN 0.185 nan 8.230 nan 0.000 0.435 564 I N -0.116 120.484 120.570 0.049 0.000 2.226 564 I HA -0.301 3.869 4.170 0.001 0.000 0.245 564 I C 2.036 178.237 176.117 0.140 0.000 1.100 564 I CA 1.180 62.537 61.300 0.094 0.000 1.374 564 I CB -0.330 37.807 38.000 0.228 0.000 1.057 564 I HN 0.257 nan 8.210 nan 0.000 0.413 565 D N 0.707 121.187 120.400 0.134 0.000 2.144 565 D HA -0.125 4.515 4.640 0.001 0.000 0.199 565 D C 2.352 178.695 176.300 0.072 0.000 0.984 565 D CA 1.187 55.249 54.000 0.103 0.000 0.834 565 D CB -0.224 40.604 40.800 0.048 0.000 0.955 565 D HN 0.291 nan 8.370 nan 0.000 0.465 566 L N 0.144 121.408 121.223 0.069 0.000 2.046 566 L HA -0.124 4.216 4.340 0.001 0.000 0.208 566 L C 2.521 179.471 176.870 0.133 0.000 1.077 566 L CA 0.673 55.555 54.840 0.070 0.000 0.747 566 L CB -0.388 41.670 42.059 -0.001 0.000 0.896 566 L HN 0.051 nan 8.230 nan 0.000 0.432 567 L N -0.960 120.349 121.223 0.143 0.000 2.083 567 L HA -0.177 4.163 4.340 0.001 0.000 0.209 567 L C 2.686 179.634 176.870 0.129 0.000 1.083 567 L CA 1.034 55.953 54.840 0.131 0.000 0.752 567 L CB -0.480 41.615 42.059 0.060 0.000 0.899 567 L HN 0.186 nan 8.230 nan 0.000 0.433 568 S N -0.360 115.410 115.700 0.118 0.000 2.383 568 S HA -0.192 4.279 4.470 0.001 0.000 0.227 568 S C 2.130 176.764 174.600 0.056 0.000 1.026 568 S CA 1.349 59.601 58.200 0.086 0.000 0.981 568 S CB -0.539 62.700 63.200 0.065 0.000 0.818 568 S HN 0.714 nan 8.310 nan 0.000 0.472 569 C N 1.078 120.409 119.300 0.052 0.000 2.422 569 C HA 0.172 4.632 4.460 0.001 0.000 0.286 569 C C 1.961 176.972 174.990 0.035 0.000 1.412 569 C CA 0.170 59.207 59.018 0.032 0.000 1.786 569 C CB -1.456 26.294 27.740 0.017 0.000 1.835 569 C HN 0.469 nan 8.230 nan 0.000 0.533 570 M N 0.652 120.282 119.600 0.050 0.000 2.431 570 M HA 0.247 4.727 4.480 0.001 0.000 0.237 570 M C 1.657 177.982 176.300 0.042 0.000 1.130 570 M CA 0.875 56.202 55.300 0.046 0.000 1.002 570 M CB 0.145 32.776 32.600 0.052 0.000 1.524 570 M HN 0.644 nan 8.290 nan 0.000 0.482 571 G N 1.364 110.188 108.800 0.040 0.000 2.157 571 G HA2 -0.234 3.726 3.960 0.001 0.000 0.248 571 G HA3 -0.234 3.726 3.960 0.001 0.000 0.248 571 G C -0.002 174.917 174.900 0.031 0.000 0.979 571 G CA -0.333 44.783 45.100 0.027 0.000 0.650 571 G HN 0.405 nan 8.290 nan 0.000 0.529 572 L N 0.256 121.519 121.223 0.065 0.000 2.367 572 L HA 0.572 4.913 4.340 0.001 0.000 0.275 572 L C 0.926 177.831 176.870 0.059 0.000 1.129 572 L CA -0.162 54.731 54.840 0.088 0.000 0.839 572 L CB 0.817 42.983 42.059 0.178 0.000 1.133 572 L HN 0.148 nan 8.230 nan 0.000 0.453 573 R N 4.173 124.644 120.500 -0.049 0.000 2.476 573 R HA 0.415 4.755 4.340 0.001 0.000 0.305 573 R C -2.449 173.639 176.300 -0.354 0.000 0.965 573 R CA -1.530 54.465 56.100 -0.174 0.000 0.867 573 R CB 1.799 32.014 30.300 -0.141 0.000 1.176 573 R HN 0.357 nan 8.270 nan 0.000 0.447 574 P HA 0.099 nan 4.420 nan 0.000 0.274 574 P C -0.624 176.313 177.300 -0.605 0.000 1.231 574 P CA -0.221 62.347 63.100 -0.887 0.000 0.790 574 P CB 1.089 31.862 31.700 -1.545 0.000 0.951 575 D N -0.139 119.899 120.400 -0.603 0.000 2.346 575 D HA 0.153 4.793 4.640 0.001 0.000 0.206 575 D C 0.954 176.709 176.300 -0.908 0.000 1.001 575 D CA 0.811 54.482 54.000 -0.548 0.000 0.871 575 D CB 0.513 41.114 40.800 -0.331 0.000 0.943 575 D HN 0.572 nan 8.370 nan 0.000 0.518 576 G N 0.269 108.203 108.800 -1.443 0.000 2.718 576 G HA2 0.603 4.563 3.960 0.001 0.000 0.295 576 G HA3 0.603 4.563 3.960 0.001 0.000 0.295 576 G C -1.437 172.837 174.900 -1.045 0.000 1.421 576 G CA -0.568 43.319 45.100 -2.022 0.000 0.902 576 G HN -0.017 nan 8.290 nan 0.000 0.501 577 I N 0.674 120.952 120.570 -0.487 0.000 2.534 577 I HA 0.497 4.667 4.170 0.001 0.000 0.288 577 I C -0.737 175.507 176.117 0.212 0.000 1.077 577 I CA -1.065 60.176 61.300 -0.098 0.000 1.051 577 I CB 2.542 40.384 38.000 -0.263 0.000 1.234 577 I HN 0.217 nan 8.210 nan 0.000 0.425 578 V N 4.221 124.319 119.914 0.306 0.000 2.577 578 V HA 0.779 4.900 4.120 0.001 0.000 0.303 578 V C 0.238 176.550 176.094 0.363 0.000 1.042 578 V CA -0.507 62.021 62.300 0.380 0.000 0.872 578 V CB 1.799 33.832 31.823 0.350 0.000 0.998 578 V HN 0.882 nan 8.190 nan 0.000 0.423 579 G N 1.324 110.356 108.800 0.387 0.000 2.432 579 G HA2 0.550 4.511 3.960 0.001 0.000 0.331 579 G HA3 0.550 4.511 3.960 0.001 0.000 0.331 579 G C -1.281 173.839 174.900 0.367 0.000 1.170 579 G CA -0.394 44.900 45.100 0.323 0.000 0.943 579 G HN 0.701 nan 8.290 nan 0.000 0.483 580 H N 1.394 120.540 119.070 0.126 0.000 2.595 580 H HA 0.472 5.029 4.556 0.001 0.000 0.313 580 H C 0.791 176.087 175.328 -0.054 0.000 1.023 580 H CA 0.628 56.648 56.048 -0.045 0.000 1.218 580 H CB 1.304 30.845 29.762 -0.369 0.000 1.403 580 H HN 0.837 nan 8.280 nan 0.000 0.477 581 S N 3.231 118.863 115.700 -0.114 0.000 4.114 581 S HA -0.346 4.124 4.470 0.001 0.000 0.618 581 S C 1.549 176.179 174.600 0.050 0.000 1.937 581 S CA 1.391 59.586 58.200 -0.009 0.000 4.228 581 S CB -1.165 62.108 63.200 0.121 0.000 0.216 581 S HN 0.597 nan 8.310 nan 0.000 0.528 582 L N 3.167 124.362 121.223 -0.047 0.000 2.263 582 L HA 0.146 4.487 4.340 0.001 0.000 0.216 582 L C 2.413 179.247 176.870 -0.060 0.000 1.111 582 L CA 2.895 57.632 54.840 -0.171 0.000 0.773 582 L CB -1.356 40.433 42.059 -0.450 0.000 0.906 582 L HN 0.771 nan 8.230 nan 0.000 0.439 583 G N -1.185 107.620 108.800 0.008 0.000 2.501 583 G HA2 -0.247 3.713 3.960 0.001 0.000 0.220 583 G HA3 -0.247 3.713 3.960 0.001 0.000 0.220 583 G C 1.389 176.333 174.900 0.074 0.000 1.114 583 G CA 0.667 45.795 45.100 0.046 0.000 0.757 583 G HN 0.571 nan 8.290 nan 0.000 0.559 584 E N -0.142 120.142 120.200 0.140 0.000 2.338 584 E HA -0.030 4.320 4.350 0.001 0.000 0.197 584 E C 2.472 179.161 176.600 0.149 0.000 1.007 584 E CA 0.248 56.800 56.400 0.253 0.000 0.849 584 E CB 0.098 30.085 29.700 0.478 0.000 0.774 584 E HN 0.400 nan 8.360 nan 0.000 0.506 585 V N 1.120 121.080 119.914 0.077 0.000 2.346 585 V HA -0.183 3.937 4.120 0.001 0.000 0.244 585 V C 2.333 178.420 176.094 -0.013 0.000 1.037 585 V CA 1.770 64.100 62.300 0.051 0.000 1.029 585 V CB -0.495 31.345 31.823 0.028 0.000 0.663 585 V HN 0.264 nan 8.190 nan 0.000 0.454 586 A N -1.213 121.588 122.820 -0.031 0.000 1.969 586 A HA -0.236 4.084 4.320 0.001 0.000 0.218 586 A C 2.316 179.846 177.584 -0.090 0.000 1.169 586 A CA 1.957 53.981 52.037 -0.022 0.000 0.635 586 A CB -1.051 17.939 19.000 -0.017 0.000 0.810 586 A HN 0.587 nan 8.150 nan 0.000 0.445 587 C N -1.056 118.093 119.300 -0.252 0.000 2.429 587 C HA -0.027 4.433 4.460 0.001 0.000 0.277 587 C C 2.978 177.370 174.990 -0.998 0.000 1.262 587 C CA 0.751 59.378 59.018 -0.650 0.000 1.733 587 C CB -1.526 25.648 27.740 -0.944 0.000 2.010 587 C HN 0.706 nan 8.230 nan 0.000 0.483 588 G N -1.496 106.806 108.800 -0.830 0.000 2.422 588 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 588 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 588 G C 1.398 176.172 174.900 -0.211 0.000 1.146 588 G CA 1.000 45.788 45.100 -0.520 0.000 0.769 588 G HN 0.594 nan 8.290 nan 0.000 0.547 589 Y N 1.923 122.093 120.300 -0.217 0.000 2.163 589 Y HA 0.115 4.665 4.550 0.001 0.000 0.288 589 Y C 2.861 178.685 175.900 -0.127 0.000 1.136 589 Y CA 1.265 59.290 58.100 -0.125 0.000 1.147 589 Y CB -0.378 38.029 38.460 -0.088 0.000 0.987 589 Y HN 0.228 nan 8.280 nan 0.000 0.509 590 A N -0.427 122.296 122.820 -0.162 0.000 1.972 590 A HA -0.201 4.120 4.320 0.001 0.000 0.219 590 A C 1.771 179.190 177.584 -0.275 0.000 1.169 590 A CA 1.930 53.861 52.037 -0.177 0.000 0.635 590 A CB -0.871 18.134 19.000 0.009 0.000 0.810 590 A HN 0.566 nan 8.150 nan 0.000 0.446 591 D N -2.061 118.148 120.400 -0.317 0.000 2.349 591 D HA 0.254 4.895 4.640 0.001 0.000 0.224 591 D C 1.257 177.452 176.300 -0.175 0.000 1.029 591 D CA 1.141 54.996 54.000 -0.241 0.000 0.879 591 D CB -0.130 40.550 40.800 -0.200 0.000 0.906 591 D HN 0.517 nan 8.370 nan 0.000 0.528 592 G N -0.830 107.836 108.800 -0.223 0.000 2.179 592 G HA2 -0.366 3.595 3.960 0.001 0.000 0.260 592 G HA3 -0.366 3.595 3.960 0.001 0.000 0.260 592 G C 1.413 176.257 174.900 -0.093 0.000 0.977 592 G CA 0.424 45.416 45.100 -0.181 0.000 0.641 592 G HN 0.423 nan 8.290 nan 0.000 0.533 593 C N -0.023 119.248 119.300 -0.049 0.000 2.450 593 C HA 0.466 4.926 4.460 0.001 0.000 0.279 593 C C 1.319 176.329 174.990 0.033 0.000 1.335 593 C CA 0.642 59.672 59.018 0.019 0.000 1.749 593 C CB -0.800 27.006 27.740 0.110 0.000 1.963 593 C HN 0.483 nan 8.230 nan 0.000 0.501 594 L N 0.892 122.138 121.223 0.039 0.000 2.362 594 L HA 0.376 4.717 4.340 0.001 0.000 0.271 594 L C 0.412 177.363 176.870 0.134 0.000 1.002 594 L CA -0.050 54.845 54.840 0.092 0.000 0.818 594 L CB 1.785 43.916 42.059 0.119 0.000 1.298 594 L HN 0.164 nan 8.230 nan 0.000 0.420 595 S N 0.723 116.500 115.700 0.129 0.000 2.634 595 S HA 0.073 4.543 4.470 0.001 0.000 0.261 595 S C 0.751 175.493 174.600 0.237 0.000 1.271 595 S CA -0.242 58.059 58.200 0.167 0.000 0.985 595 S CB 1.280 64.540 63.200 0.101 0.000 0.968 595 S HN 0.776 nan 8.310 nan 0.000 0.568 596 Q N 0.607 120.543 119.800 0.228 0.000 2.050 596 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 596 Q C 1.807 177.794 176.000 -0.021 0.000 0.980 596 Q CA 1.901 57.697 55.803 -0.013 0.000 0.840 596 Q CB -0.284 28.411 28.738 -0.072 0.000 0.898 596 Q HN 0.841 nan 8.270 nan 0.000 0.424 597 E N 0.698 120.915 120.200 0.028 0.000 2.110 597 E HA -0.219 4.131 4.350 0.001 0.000 0.193 597 E C 1.693 178.337 176.600 0.073 0.000 0.988 597 E CA 1.406 57.829 56.400 0.039 0.000 0.804 597 E CB -0.350 29.378 29.700 0.047 0.000 0.745 597 E HN 0.582 nan 8.360 nan 0.000 0.458 598 E N 1.043 121.296 120.200 0.089 0.000 2.072 598 E HA -0.068 4.282 4.350 0.001 0.000 0.191 598 E C 2.095 178.760 176.600 0.109 0.000 0.985 598 E CA 1.143 57.609 56.400 0.111 0.000 0.801 598 E CB -0.119 29.645 29.700 0.107 0.000 0.750 598 E HN 0.334 nan 8.360 nan 0.000 0.452 599 A N 0.632 123.500 122.820 0.080 0.000 1.898 599 A HA -0.129 4.191 4.320 0.001 0.000 0.216 599 A C 2.443 180.048 177.584 0.036 0.000 1.181 599 A CA 1.067 53.137 52.037 0.055 0.000 0.620 599 A CB -0.552 18.456 19.000 0.013 0.000 0.819 599 A HN 0.124 nan 8.150 nan 0.000 0.442 600 V N 0.117 120.036 119.914 0.009 0.000 2.358 600 V HA -0.211 3.910 4.120 0.001 0.000 0.246 600 V C 2.507 178.648 176.094 0.078 0.000 1.047 600 V CA 1.765 64.073 62.300 0.014 0.000 1.035 600 V CB -0.643 31.165 31.823 -0.025 0.000 0.658 600 V HN 0.554 nan 8.190 nan 0.000 0.452 601 L N -0.127 121.166 121.223 0.115 0.000 2.156 601 L HA -0.086 4.255 4.340 0.001 0.000 0.208 601 L C 2.676 179.712 176.870 0.277 0.000 1.095 601 L CA 1.262 56.215 54.840 0.189 0.000 0.770 601 L CB -0.711 41.511 42.059 0.271 0.000 0.914 601 L HN 0.366 nan 8.230 nan 0.000 0.439 602 A N 0.155 123.107 122.820 0.220 0.000 1.898 602 A HA -0.120 4.201 4.320 0.001 0.000 0.216 602 A C 2.524 180.211 177.584 0.171 0.000 1.181 602 A CA 1.597 53.764 52.037 0.216 0.000 0.620 602 A CB -0.528 18.568 19.000 0.159 0.000 0.819 602 A HN 0.379 nan 8.150 nan 0.000 0.442 603 A N -1.484 121.407 122.820 0.119 0.000 1.930 603 A HA -0.045 4.275 4.320 0.001 0.000 0.217 603 A C 2.112 179.788 177.584 0.153 0.000 1.175 603 A CA 1.557 53.653 52.037 0.099 0.000 0.627 603 A CB -0.799 18.241 19.000 0.066 0.000 0.815 603 A HN 0.712 nan 8.150 nan 0.000 0.443 604 Y N -0.906 119.370 120.300 -0.040 0.000 2.070 604 Y HA -0.278 4.273 4.550 0.001 0.000 0.280 604 Y C 2.137 177.864 175.900 -0.288 0.000 1.148 604 Y CA 2.017 59.970 58.100 -0.245 0.000 1.125 604 Y CB -0.628 37.511 38.460 -0.535 0.000 0.975 604 Y HN 0.438 nan 8.280 nan 0.000 0.492 605 W N 0.624 121.865 121.300 -0.098 0.000 2.374 605 W HA -0.131 4.529 4.660 0.001 0.000 0.288 605 W C 2.807 179.259 176.519 -0.111 0.000 1.218 605 W CA 1.464 58.710 57.345 -0.164 0.000 1.245 605 W CB -0.289 29.169 29.460 -0.005 0.000 1.126 605 W HN -0.020 nan 8.180 nan 0.000 0.545 606 R N 0.551 121.164 120.500 0.187 0.000 2.081 606 R HA -0.105 4.235 4.340 0.001 0.000 0.235 606 R C 2.313 178.750 176.300 0.229 0.000 1.131 606 R CA 1.879 58.104 56.100 0.209 0.000 0.960 606 R CB -0.881 29.529 30.300 0.184 0.000 0.856 606 R HN 0.230 nan 8.270 nan 0.000 0.436 607 G N -0.092 108.807 108.800 0.164 0.000 2.396 607 G HA2 -0.272 3.688 3.960 0.001 0.000 0.214 607 G HA3 -0.272 3.688 3.960 0.001 0.000 0.214 607 G C 1.325 176.070 174.900 -0.258 0.000 1.166 607 G CA 0.450 45.468 45.100 -0.138 0.000 0.793 607 G HN 0.319 nan 8.290 nan 0.000 0.533 608 Q N 0.145 119.687 119.800 -0.429 0.000 2.079 608 Q HA -0.071 4.270 4.340 0.001 0.000 0.200 608 Q C 2.472 178.407 176.000 -0.108 0.000 0.974 608 Q CA 1.639 57.181 55.803 -0.435 0.000 0.840 608 Q CB -0.943 27.233 28.738 -0.936 0.000 0.898 608 Q HN 0.400 nan 8.270 nan 0.000 0.430 609 C N -0.304 119.013 119.300 0.030 0.000 2.425 609 C HA -0.046 4.415 4.460 0.001 0.000 0.277 609 C C 2.501 177.513 174.990 0.036 0.000 1.280 609 C CA 0.496 59.566 59.018 0.088 0.000 1.744 609 C CB -1.055 26.761 27.740 0.126 0.000 1.989 609 C HN 0.552 nan 8.230 nan 0.000 0.491 610 I N 0.596 121.178 120.570 0.020 0.000 2.202 610 I HA -0.204 3.967 4.170 0.001 0.000 0.242 610 I C 2.579 178.677 176.117 -0.032 0.000 1.091 610 I CA 1.514 62.820 61.300 0.009 0.000 1.368 610 I CB -0.455 37.573 38.000 0.045 0.000 1.058 610 I HN 0.338 nan 8.210 nan 0.000 0.410 611 K N 0.732 121.090 120.400 -0.070 0.000 2.057 611 K HA -0.188 4.133 4.320 0.001 0.000 0.207 611 K C 1.768 178.350 176.600 -0.030 0.000 1.049 611 K CA 1.358 57.600 56.287 -0.074 0.000 0.931 611 K CB -0.097 32.328 32.500 -0.125 0.000 0.714 611 K HN 0.297 nan 8.250 nan 0.000 0.440 612 E N -0.055 120.139 120.200 -0.010 0.000 2.515 612 E HA -0.021 4.330 4.350 0.001 0.000 0.201 612 E C -0.225 176.393 176.600 0.030 0.000 1.071 612 E CA -0.145 56.269 56.400 0.024 0.000 0.880 612 E CB 0.317 30.053 29.700 0.059 0.000 0.828 612 E HN 0.236 nan 8.360 nan 0.000 0.540 613 A N 0.176 123.008 122.820 0.020 0.000 2.435 613 A HA 0.505 4.825 4.320 0.001 0.000 0.296 613 A C -1.349 176.260 177.584 0.042 0.000 1.147 613 A CA -0.677 51.377 52.037 0.028 0.000 0.775 613 A CB 1.023 20.027 19.000 0.007 0.000 1.340 613 A HN 0.227 nan 8.150 nan 0.000 0.427 614 H N 0.063 119.109 119.070 -0.039 0.000 2.511 614 H HA 0.714 5.270 4.556 0.001 0.000 0.328 614 H C -1.357 173.926 175.328 -0.076 0.000 1.044 614 H CA -0.402 55.615 56.048 -0.051 0.000 1.212 614 H CB 0.623 30.358 29.762 -0.046 0.000 1.428 614 H HN 0.496 nan 8.280 nan 0.000 0.483 615 L N 6.469 127.267 121.223 -0.709 0.000 2.341 615 L HA 0.497 4.837 4.340 0.001 0.000 0.267 615 L C -2.020 174.401 176.870 -0.749 0.000 1.009 615 L CA -2.295 52.182 54.840 -0.604 0.000 0.819 615 L CB 2.044 43.904 42.059 -0.332 0.000 1.323 615 L HN 0.604 nan 8.230 nan 0.000 0.425 616 P HA 0.136 nan 4.420 nan 0.000 0.269 616 P C -2.515 174.713 177.300 -0.119 0.000 1.217 616 P CA -0.964 61.972 63.100 -0.273 0.000 0.783 616 P CB -0.380 31.133 31.700 -0.310 0.000 0.898 617 P HA 0.196 nan 4.420 nan 0.000 0.267 617 P C 0.153 177.483 177.300 0.049 0.000 1.209 617 P CA 0.561 63.664 63.100 0.004 0.000 0.763 617 P CB 0.319 32.032 31.700 0.022 0.000 0.816 618 G N 1.486 110.273 108.800 -0.022 0.000 2.644 618 G HA2 0.796 4.757 3.960 0.001 0.000 0.307 618 G HA3 0.796 4.757 3.960 0.001 0.000 0.307 618 G C -1.579 173.169 174.900 -0.252 0.000 1.250 618 G CA -0.678 44.343 45.100 -0.131 0.000 0.996 618 G HN 0.626 nan 8.290 nan 0.000 0.489 619 A N -0.390 122.223 122.820 -0.344 0.000 2.610 619 A HA 0.836 5.156 4.320 0.001 0.000 0.291 619 A C -0.973 176.479 177.584 -0.221 0.000 1.086 619 A CA -0.611 51.228 52.037 -0.331 0.000 0.677 619 A CB 1.468 20.027 19.000 -0.735 0.000 1.278 619 A HN 0.680 nan 8.150 nan 0.000 0.414 620 M N 0.171 119.721 119.600 -0.082 0.000 2.501 620 M HA 0.707 5.187 4.480 0.001 0.000 0.293 620 M C -0.563 175.780 176.300 0.073 0.000 1.192 620 M CA -0.423 54.883 55.300 0.011 0.000 0.886 620 M CB 2.623 35.273 32.600 0.083 0.000 1.710 620 M HN 1.262 nan 8.290 nan 0.000 0.457 621 A N 1.463 124.337 122.820 0.091 0.000 2.488 621 A HA 0.879 5.200 4.320 0.001 0.000 0.298 621 A C -1.154 176.499 177.584 0.115 0.000 1.044 621 A CA -0.727 51.367 52.037 0.093 0.000 0.693 621 A CB 1.375 20.416 19.000 0.068 0.000 1.272 621 A HN 0.911 nan 8.150 nan 0.000 0.402 622 A N 1.566 124.463 122.820 0.128 0.000 2.347 622 A HA 0.562 4.882 4.320 0.001 0.000 0.287 622 A C 0.320 178.027 177.584 0.205 0.000 1.199 622 A CA 0.126 52.298 52.037 0.224 0.000 0.851 622 A CB -0.479 18.722 19.000 0.336 0.000 1.118 622 A HN 2.079 nan 8.150 nan 0.000 0.525 623 V N 1.352 121.399 119.914 0.221 0.000 2.513 623 V HA 0.791 4.911 4.120 0.001 0.000 0.299 623 V C 0.713 176.983 176.094 0.294 0.000 1.035 623 V CA -0.021 62.386 62.300 0.179 0.000 0.889 623 V CB 1.425 33.298 31.823 0.082 0.000 0.988 623 V HN 1.019 nan 8.190 nan 0.000 0.440 624 G N 4.239 113.244 108.800 0.342 0.000 3.452 624 G HA2 0.462 4.422 3.960 0.001 0.000 0.258 624 G HA3 0.462 4.422 3.960 0.001 0.000 0.258 624 G C -0.200 174.797 174.900 0.163 0.000 1.305 624 G CA 0.272 45.541 45.100 0.281 0.000 1.514 624 G HN 0.974 nan 8.290 nan 0.000 0.593 625 L N -2.598 118.717 121.223 0.153 0.000 2.277 625 L HA 0.826 5.166 4.340 0.001 0.000 0.254 625 L C 0.325 177.281 176.870 0.143 0.000 1.044 625 L CA -1.519 53.396 54.840 0.125 0.000 0.842 625 L CB 0.955 43.076 42.059 0.103 0.000 1.422 625 L HN -0.052 nan 8.230 nan 0.000 0.422 626 S N -0.068 115.704 115.700 0.120 0.000 2.593 626 S HA 0.082 4.552 4.470 0.001 0.000 0.269 626 S C 0.790 175.472 174.600 0.135 0.000 1.334 626 S CA -0.316 57.963 58.200 0.133 0.000 1.015 626 S CB 0.239 63.499 63.200 0.100 0.000 0.912 626 S HN 0.840 nan 8.310 nan 0.000 0.541 627 W N 2.281 123.472 121.300 -0.180 0.000 2.338 627 W HA -0.167 4.494 4.660 0.001 0.000 0.304 627 W C 1.839 178.271 176.519 -0.145 0.000 1.212 627 W CA 1.854 59.017 57.345 -0.304 0.000 1.264 627 W CB -0.177 28.859 29.460 -0.707 0.000 1.142 627 W HN 0.922 nan 8.180 nan 0.000 0.512 628 E N 0.051 120.283 120.200 0.053 0.000 2.047 628 E HA -0.230 4.121 4.350 0.001 0.000 0.191 628 E C 1.925 178.496 176.600 -0.048 0.000 0.987 628 E CA 1.484 57.869 56.400 -0.025 0.000 0.799 628 E CB -0.324 29.388 29.700 0.020 0.000 0.752 628 E HN 0.364 nan 8.360 nan 0.000 0.449 629 E N -0.041 120.158 120.200 -0.002 0.000 2.150 629 E HA -0.175 4.175 4.350 0.001 0.000 0.193 629 E C 2.098 178.697 176.600 -0.001 0.000 0.985 629 E CA 0.519 56.925 56.400 0.009 0.000 0.814 629 E CB -0.102 29.625 29.700 0.045 0.000 0.752 629 E HN 0.246 nan 8.360 nan 0.000 0.466 630 C N 1.099 120.382 119.300 -0.029 0.000 2.453 630 C HA -0.102 4.359 4.460 0.001 0.000 0.277 630 C C 2.248 177.147 174.990 -0.152 0.000 1.262 630 C CA 0.880 59.870 59.018 -0.047 0.000 1.718 630 C CB -0.483 27.199 27.740 -0.097 0.000 2.031 630 C HN 0.343 nan 8.230 nan 0.000 0.480 631 K N 0.413 120.663 120.400 -0.250 0.000 2.360 631 K HA -0.189 4.132 4.320 0.001 0.000 0.201 631 K C 1.947 178.447 176.600 -0.167 0.000 1.046 631 K CA 1.544 57.675 56.287 -0.260 0.000 0.945 631 K CB -0.135 32.185 32.500 -0.300 0.000 0.750 631 K HN 0.762 nan 8.250 nan 0.000 0.464 632 Q N -0.106 119.624 119.800 -0.117 0.000 2.349 632 Q HA 0.064 4.404 4.340 0.001 0.000 0.209 632 Q C 1.601 177.552 176.000 -0.082 0.000 0.920 632 Q CA 0.366 56.118 55.803 -0.085 0.000 0.901 632 Q CB 0.307 29.014 28.738 -0.051 0.000 1.021 632 Q HN 0.037 nan 8.270 nan 0.000 0.519 633 R N -0.240 120.223 120.500 -0.062 0.000 2.265 633 R HA 0.266 4.607 4.340 0.001 0.000 0.194 633 R C 0.040 176.138 176.300 -0.336 0.000 0.931 633 R CA 0.098 56.166 56.100 -0.053 0.000 1.032 633 R CB 0.026 30.424 30.300 0.163 0.000 0.980 633 R HN 0.163 nan 8.270 nan 0.000 0.497 634 C N 4.751 123.818 119.300 -0.388 0.000 2.590 634 C HA 0.104 4.565 4.460 0.001 0.000 0.411 634 C C -1.425 173.237 174.990 -0.547 0.000 1.420 634 C CA -1.032 57.601 59.018 -0.642 0.000 1.643 634 C CB 0.143 27.679 27.740 -0.340 0.000 2.528 634 C HN 0.302 nan 8.230 nan 0.000 0.606 635 P HA 0.231 nan 4.420 nan 0.000 0.273 635 P C -2.664 174.496 177.300 -0.232 0.000 1.250 635 P CA -1.274 61.611 63.100 -0.359 0.000 0.793 635 P CB -0.386 31.132 31.700 -0.303 0.000 1.011 636 P HA 0.111 nan 4.420 nan 0.000 0.267 636 P C 1.010 178.259 177.300 -0.085 0.000 1.205 636 P CA 1.275 64.305 63.100 -0.117 0.000 0.765 636 P CB -0.138 31.511 31.700 -0.086 0.000 0.828 637 G N 1.235 109.987 108.800 -0.080 0.000 2.241 637 G HA2 -0.202 3.759 3.960 0.001 0.000 0.244 637 G HA3 -0.202 3.759 3.960 0.001 0.000 0.244 637 G C 0.010 174.947 174.900 0.062 0.000 0.998 637 G CA -0.112 45.003 45.100 0.025 0.000 0.621 637 G HN 0.533 nan 8.290 nan 0.000 0.519 638 V N 0.748 120.628 119.914 -0.057 0.000 2.472 638 V HA 0.798 4.918 4.120 0.001 0.000 0.290 638 V C 0.230 176.277 176.094 -0.078 0.000 1.037 638 V CA -0.461 61.789 62.300 -0.084 0.000 0.908 638 V CB 1.743 33.480 31.823 -0.143 0.000 0.985 638 V HN 0.443 nan 8.190 nan 0.000 0.454 639 V N 5.910 125.800 119.914 -0.040 0.000 3.007 639 V HA 0.605 4.726 4.120 0.001 0.000 0.311 639 V C -2.482 173.576 176.094 -0.060 0.000 1.120 639 V CA -2.182 60.087 62.300 -0.051 0.000 0.980 639 V CB 3.520 35.370 31.823 0.044 0.000 1.033 639 V HN 0.786 nan 8.190 nan 0.000 0.429 640 P HA 0.283 nan 4.420 nan 0.000 0.276 640 P C -0.259 177.071 177.300 0.050 0.000 1.243 640 P CA 0.053 63.020 63.100 -0.222 0.000 0.768 640 P CB 1.678 32.800 31.700 -0.963 0.000 0.856 641 A N 3.132 126.112 122.820 0.266 0.000 1.970 641 A HA 0.206 4.526 4.320 0.001 0.000 0.204 641 A C 0.449 178.270 177.584 0.394 0.000 1.325 641 A CA 0.760 52.995 52.037 0.329 0.000 0.767 641 A CB -0.135 19.024 19.000 0.266 0.000 0.949 641 A HN 0.570 nan 8.150 nan 0.000 0.481 642 C N -0.238 119.307 119.300 0.409 0.000 2.396 642 C HA 0.509 4.969 4.460 0.001 0.000 0.321 642 C C -0.147 174.996 174.990 0.255 0.000 1.233 642 C CA -0.558 58.602 59.018 0.238 0.000 1.440 642 C CB 0.023 27.877 27.740 0.191 0.000 2.110 642 C HN 0.618 nan 8.230 nan 0.000 0.473 643 H N 3.336 122.227 119.070 -0.298 0.000 2.702 643 H HA 0.169 4.726 4.556 0.001 0.000 0.252 643 H C 0.600 175.876 175.328 -0.086 0.000 1.493 643 H CA -0.323 55.424 56.048 -0.502 0.000 1.273 643 H CB 0.352 29.276 29.762 -1.397 0.000 1.537 643 H HN 0.665 nan 8.280 nan 0.000 0.547 644 N N 1.378 120.208 118.700 0.216 0.000 2.135 644 N HA -0.093 4.648 4.740 0.001 0.000 0.186 644 N C 0.316 175.939 175.510 0.188 0.000 1.027 644 N CA 1.058 54.256 53.050 0.248 0.000 0.849 644 N CB 0.349 38.963 38.487 0.212 0.000 1.002 644 N HN 0.580 nan 8.380 nan 0.000 0.425 645 S N -1.669 114.113 115.700 0.137 0.000 2.688 645 S HA 0.377 4.847 4.470 0.001 0.000 0.275 645 S C 0.563 175.242 174.600 0.132 0.000 1.175 645 S CA -0.853 57.391 58.200 0.074 0.000 0.818 645 S CB 2.354 65.611 63.200 0.094 0.000 1.157 645 S HN -0.103 nan 8.310 nan 0.000 0.482 646 K N -0.076 120.386 120.400 0.103 0.000 2.059 646 K HA -0.144 4.177 4.320 0.001 0.000 0.212 646 K C 0.020 176.727 176.600 0.178 0.000 1.050 646 K CA 2.085 58.464 56.287 0.154 0.000 0.927 646 K CB -0.299 32.258 32.500 0.094 0.000 0.714 646 K HN 0.573 nan 8.250 nan 0.000 0.447 647 D N -0.166 120.313 120.400 0.131 0.000 2.501 647 D HA 0.028 4.668 4.640 0.001 0.000 0.226 647 D C -0.651 175.726 176.300 0.128 0.000 1.198 647 D CA 0.278 54.349 54.000 0.118 0.000 0.830 647 D CB 1.009 41.850 40.800 0.069 0.000 1.014 647 D HN 0.227 nan 8.370 nan 0.000 0.496 648 T N -1.961 112.696 114.554 0.172 0.000 3.066 648 T HA 0.549 4.899 4.350 0.001 0.000 0.318 648 T C -0.709 174.151 174.700 0.267 0.000 0.979 648 T CA -0.642 61.570 62.100 0.188 0.000 1.025 648 T CB 1.130 70.066 68.868 0.113 0.000 1.002 648 T HN -0.259 nan 8.240 nan 0.000 0.453 649 V N 3.152 123.246 119.914 0.298 0.000 2.769 649 V HA 0.687 4.808 4.120 0.001 0.000 0.312 649 V C 0.207 176.494 176.094 0.321 0.000 1.061 649 V CA -0.656 61.871 62.300 0.377 0.000 0.931 649 V CB 2.496 34.585 31.823 0.443 0.000 1.010 649 V HN 1.058 nan 8.190 nan 0.000 0.433 650 T N 5.548 120.307 114.554 0.341 0.000 2.795 650 T HA 0.615 4.966 4.350 0.001 0.000 0.282 650 T C -0.176 174.667 174.700 0.239 0.000 0.980 650 T CA -0.096 62.164 62.100 0.267 0.000 1.012 650 T CB 0.780 69.798 68.868 0.251 0.000 0.936 650 T HN 0.597 nan 8.240 nan 0.000 0.457 651 I N 0.060 120.735 120.570 0.176 0.000 2.664 651 I HA 0.880 5.050 4.170 0.001 0.000 0.308 651 I C 0.040 176.200 176.117 0.072 0.000 0.984 651 I CA -0.565 60.811 61.300 0.126 0.000 1.213 651 I CB 1.775 39.870 38.000 0.158 0.000 1.379 651 I HN 0.476 nan 8.210 nan 0.000 0.501 652 S N 1.918 117.620 115.700 0.004 0.000 2.541 652 S HA 0.929 5.400 4.470 0.001 0.000 0.271 652 S C -0.479 173.970 174.600 -0.252 0.000 1.133 652 S CA 0.212 58.353 58.200 -0.099 0.000 0.876 652 S CB 1.544 64.721 63.200 -0.039 0.000 1.105 652 S HN 1.491 nan 8.310 nan 0.000 0.470 653 G N 2.772 111.283 108.800 -0.483 0.000 2.350 653 G HA2 0.255 4.216 3.960 0.001 0.000 0.282 653 G HA3 0.255 4.216 3.960 0.001 0.000 0.282 653 G C -3.533 170.881 174.900 -0.809 0.000 1.314 653 G CA -0.759 43.852 45.100 -0.814 0.000 0.915 653 G HN 0.574 nan 8.290 nan 0.000 0.499 654 P HA 0.093 nan 4.420 nan 0.000 0.261 654 P C 0.814 177.973 177.300 -0.235 0.000 1.173 654 P CA 0.371 63.374 63.100 -0.161 0.000 0.760 654 P CB 0.858 32.606 31.700 0.080 0.000 0.783 655 Q N 4.089 123.749 119.800 -0.233 0.000 2.112 655 Q HA -0.285 4.055 4.340 0.001 0.000 0.206 655 Q C 1.714 177.476 176.000 -0.397 0.000 0.987 655 Q CA 2.269 57.785 55.803 -0.477 0.000 0.858 655 Q CB -0.440 28.131 28.738 -0.279 0.000 0.905 655 Q HN 0.520 nan 8.270 nan 0.000 0.420 656 A N 1.156 123.922 122.820 -0.090 0.000 1.835 656 A HA -0.113 4.207 4.320 0.001 0.000 0.215 656 A C -0.347 177.265 177.584 0.046 0.000 1.199 656 A CA 1.450 53.513 52.037 0.043 0.000 0.615 656 A CB -1.695 17.340 19.000 0.058 0.000 0.838 656 A HN 0.448 nan 8.150 nan 0.000 0.444 657 P HA -0.096 nan 4.420 nan 0.000 0.215 657 P C 1.653 178.981 177.300 0.046 0.000 1.153 657 P CA 1.244 64.358 63.100 0.023 0.000 0.853 657 P CB -0.151 31.541 31.700 -0.013 0.000 0.788 658 V N -1.149 118.734 119.914 -0.051 0.000 2.295 658 V HA -0.239 3.882 4.120 0.001 0.000 0.246 658 V C 2.193 178.356 176.094 0.116 0.000 1.049 658 V CA 1.762 64.048 62.300 -0.024 0.000 1.024 658 V CB -1.298 30.390 31.823 -0.224 0.000 0.648 658 V HN -0.030 nan 8.190 nan 0.000 0.447 659 F N 1.218 121.194 119.950 0.042 0.000 2.216 659 F HA -0.127 4.401 4.527 0.001 0.000 0.300 659 F C 2.462 178.280 175.800 0.030 0.000 1.085 659 F CA 1.410 59.424 58.000 0.023 0.000 1.326 659 F CB -0.864 38.143 39.000 0.012 0.000 1.027 659 F HN 0.435 nan 8.300 nan 0.000 0.497 660 E N -1.025 119.320 120.200 0.243 0.000 2.076 660 E HA -0.205 4.145 4.350 0.001 0.000 0.190 660 E C 2.133 178.844 176.600 0.185 0.000 0.979 660 E CA 0.940 57.441 56.400 0.168 0.000 0.807 660 E CB -1.102 28.679 29.700 0.135 0.000 0.761 660 E HN 0.279 nan 8.360 nan 0.000 0.454 661 F N 2.774 122.748 119.950 0.039 0.000 2.161 661 F HA -0.175 4.352 4.527 0.001 0.000 0.300 661 F C 2.032 177.844 175.800 0.021 0.000 1.089 661 F CA 0.869 58.880 58.000 0.018 0.000 1.282 661 F CB -0.334 38.667 39.000 0.002 0.000 1.010 661 F HN -0.178 nan 8.300 nan 0.000 0.485 662 V N 0.230 120.120 119.914 -0.040 0.000 2.295 662 V HA -0.286 3.835 4.120 0.001 0.000 0.246 662 V C 2.414 178.429 176.094 -0.132 0.000 1.049 662 V CA 2.179 64.388 62.300 -0.152 0.000 1.024 662 V CB -0.707 31.119 31.823 0.004 0.000 0.648 662 V HN 0.281 nan 8.190 nan 0.000 0.447 663 E N 0.161 120.338 120.200 -0.037 0.000 2.058 663 E HA -0.269 4.081 4.350 0.001 0.000 0.194 663 E C 2.206 178.779 176.600 -0.046 0.000 0.997 663 E CA 1.814 58.192 56.400 -0.036 0.000 0.801 663 E CB -0.310 29.392 29.700 0.003 0.000 0.746 663 E HN 0.597 nan 8.360 nan 0.000 0.450 664 Q N -0.251 119.536 119.800 -0.022 0.000 2.061 664 Q HA -0.090 4.250 4.340 0.001 0.000 0.204 664 Q C 2.283 178.239 176.000 -0.073 0.000 0.984 664 Q CA 1.823 57.619 55.803 -0.010 0.000 0.846 664 Q CB -0.226 28.556 28.738 0.073 0.000 0.902 664 Q HN 0.345 nan 8.270 nan 0.000 0.421 665 L N -0.275 120.831 121.223 -0.196 0.000 2.079 665 L HA -0.233 4.108 4.340 0.001 0.000 0.210 665 L C 2.455 179.244 176.870 -0.135 0.000 1.081 665 L CA 1.302 56.005 54.840 -0.228 0.000 0.752 665 L CB -0.333 41.468 42.059 -0.430 0.000 0.896 665 L HN 0.178 nan 8.230 nan 0.000 0.433 666 R N -0.236 120.187 120.500 -0.128 0.000 2.148 666 R HA -0.126 4.215 4.340 0.001 0.000 0.227 666 R C 2.315 178.584 176.300 -0.052 0.000 1.103 666 R CA 0.939 56.984 56.100 -0.091 0.000 0.983 666 R CB 0.003 30.245 30.300 -0.096 0.000 0.874 666 R HN 0.303 nan 8.270 nan 0.000 0.451 667 K N 0.709 121.082 120.400 -0.044 0.000 2.001 667 K HA -0.144 4.177 4.320 0.001 0.000 0.208 667 K C 1.307 177.899 176.600 -0.013 0.000 1.048 667 K CA 1.457 57.732 56.287 -0.021 0.000 0.932 667 K CB 0.096 32.590 32.500 -0.011 0.000 0.715 667 K HN 0.205 nan 8.250 nan 0.000 0.437 668 E N -0.439 119.752 120.200 -0.016 0.000 2.512 668 E HA 0.014 4.364 4.350 0.001 0.000 0.195 668 E C 0.604 177.204 176.600 -0.001 0.000 1.083 668 E CA 0.348 56.746 56.400 -0.004 0.000 0.873 668 E CB 0.168 29.869 29.700 0.002 0.000 0.897 668 E HN 0.513 nan 8.360 nan 0.000 0.514 669 G N 0.825 109.622 108.800 -0.006 0.000 2.153 669 G HA2 -0.290 3.671 3.960 0.001 0.000 0.252 669 G HA3 -0.290 3.671 3.960 0.001 0.000 0.252 669 G C 0.302 175.215 174.900 0.021 0.000 0.994 669 G CA 0.147 45.252 45.100 0.007 0.000 0.698 669 G HN 0.210 nan 8.290 nan 0.000 0.521 670 V N 0.653 120.568 119.914 0.003 0.000 2.686 670 V HA 0.571 4.692 4.120 0.001 0.000 0.295 670 V C 0.756 176.876 176.094 0.043 0.000 1.057 670 V CA -0.658 61.658 62.300 0.028 0.000 1.012 670 V CB 1.397 33.215 31.823 -0.010 0.000 1.006 670 V HN 0.409 nan 8.190 nan 0.000 0.477 671 F N 4.539 124.476 119.950 -0.020 0.000 2.541 671 F HA 0.505 5.032 4.527 0.001 0.000 0.378 671 F C 0.340 176.123 175.800 -0.027 0.000 1.068 671 F CA 0.021 58.014 58.000 -0.013 0.000 1.199 671 F CB 0.095 39.100 39.000 0.008 0.000 1.091 671 F HN 0.550 nan 8.300 nan 0.000 0.555 672 A N 7.259 129.616 122.820 -0.772 0.000 2.456 672 A HA 0.564 4.885 4.320 0.001 0.000 0.288 672 A C -1.323 175.866 177.584 -0.658 0.000 1.042 672 A CA -0.862 50.812 52.037 -0.606 0.000 0.738 672 A CB 1.183 19.981 19.000 -0.336 0.000 1.266 672 A HN 0.779 nan 8.150 nan 0.000 0.407 673 K N 2.373 122.439 120.400 -0.557 0.000 2.513 673 K HA 0.341 4.662 4.320 0.001 0.000 0.251 673 K C -0.390 176.160 176.600 -0.082 0.000 0.939 673 K CA -0.397 55.701 56.287 -0.315 0.000 0.793 673 K CB 1.565 33.873 32.500 -0.320 0.000 1.241 673 K HN 0.921 nan 8.250 nan 0.000 0.431 674 E N 3.531 123.726 120.200 -0.008 0.000 2.392 674 E HA 0.066 4.417 4.350 0.001 0.000 0.264 674 E C -1.071 175.591 176.600 0.103 0.000 1.024 674 E CA -0.335 56.129 56.400 0.107 0.000 0.903 674 E CB 1.023 30.829 29.700 0.176 0.000 0.963 674 E HN 0.229 nan 8.360 nan 0.000 0.432 675 V N 4.324 124.316 119.914 0.131 0.000 2.713 675 V HA 0.303 4.423 4.120 0.001 0.000 0.307 675 V C 0.386 176.563 176.094 0.137 0.000 1.052 675 V CA -0.602 61.778 62.300 0.132 0.000 0.967 675 V CB 1.641 33.553 31.823 0.147 0.000 1.019 675 V HN 0.698 nan 8.190 nan 0.000 0.459 676 R N 1.390 121.969 120.500 0.132 0.000 2.233 676 R HA 0.289 4.629 4.340 0.001 0.000 0.334 676 R C 0.769 177.156 176.300 0.145 0.000 1.037 676 R CA 0.262 56.438 56.100 0.127 0.000 0.920 676 R CB 0.862 31.227 30.300 0.108 0.000 1.137 676 R HN 0.965 nan 8.270 nan 0.000 0.492 677 T N -0.854 113.776 114.554 0.127 0.000 3.022 677 T HA 0.158 4.508 4.350 0.001 0.000 0.250 677 T C 1.151 175.901 174.700 0.083 0.000 1.060 677 T CA 0.451 62.641 62.100 0.148 0.000 1.013 677 T CB 0.655 69.557 68.868 0.056 0.000 0.982 677 T HN 0.629 nan 8.240 nan 0.000 0.508 678 G N 0.754 109.587 108.800 0.055 0.000 2.142 678 G HA2 0.219 4.179 3.960 0.001 0.000 0.225 678 G HA3 0.219 4.179 3.960 0.001 0.000 0.225 678 G C 0.989 175.872 174.900 -0.028 0.000 1.015 678 G CA 0.206 45.322 45.100 0.026 0.000 0.716 678 G HN 1.744 nan 8.290 nan 0.000 0.508 679 G N -1.644 107.132 108.800 -0.040 0.000 2.136 679 G HA2 -0.143 3.818 3.960 0.001 0.000 0.242 679 G HA3 -0.143 3.818 3.960 0.001 0.000 0.242 679 G C 0.312 175.114 174.900 -0.163 0.000 0.989 679 G CA 0.995 46.051 45.100 -0.072 0.000 0.682 679 G HN 1.031 nan 8.290 nan 0.000 0.522 680 M N 0.128 119.559 119.600 -0.282 0.000 2.423 680 M HA 0.693 5.174 4.480 0.001 0.000 0.335 680 M C 0.441 176.436 176.300 -0.509 0.000 1.177 680 M CA -0.543 54.445 55.300 -0.519 0.000 1.038 680 M CB 1.663 33.594 32.600 -1.115 0.000 1.641 680 M HN 0.678 nan 8.290 nan 0.000 0.455 681 A N 3.040 125.602 122.820 -0.430 0.000 3.047 681 A HA 0.592 4.912 4.320 0.001 0.000 0.337 681 A C -0.670 176.771 177.584 -0.238 0.000 1.143 681 A CA -0.546 51.279 52.037 -0.354 0.000 0.905 681 A CB -0.481 18.194 19.000 -0.542 0.000 1.088 681 A HN 0.594 nan 8.150 nan 0.000 0.488 682 F N 1.037 120.963 119.950 -0.041 0.000 2.490 682 F HA 0.222 4.750 4.527 0.001 0.000 0.336 682 F C 1.479 177.240 175.800 -0.065 0.000 1.178 682 F CA 0.714 58.648 58.000 -0.110 0.000 1.301 682 F CB 0.092 39.036 39.000 -0.093 0.000 1.175 682 F HN 0.613 nan 8.300 nan 0.000 0.593 683 H N -0.602 118.623 119.070 0.258 0.000 2.748 683 H HA -0.145 4.412 4.556 0.001 0.000 0.322 683 H C -0.032 175.365 175.328 0.116 0.000 1.208 683 H CA 0.509 56.654 56.048 0.162 0.000 1.151 683 H CB -1.648 28.212 29.762 0.162 0.000 1.505 683 H HN 0.592 nan 8.280 nan 0.000 0.429 684 S N -1.065 114.703 115.700 0.113 0.000 2.688 684 S HA 0.425 4.896 4.470 0.001 0.000 0.275 684 S C 0.967 175.603 174.600 0.060 0.000 1.175 684 S CA -0.411 57.825 58.200 0.061 0.000 0.818 684 S CB 0.954 64.061 63.200 -0.155 0.000 1.157 684 S HN 0.173 nan 8.310 nan 0.000 0.482 685 Y N -0.361 120.014 120.300 0.126 0.000 2.403 685 Y HA 0.217 4.768 4.550 0.001 0.000 0.291 685 Y C 1.553 177.582 175.900 0.214 0.000 1.143 685 Y CA 0.431 58.616 58.100 0.141 0.000 1.257 685 Y CB -0.818 37.714 38.460 0.121 0.000 0.984 685 Y HN 0.486 nan 8.280 nan 0.000 0.550 686 F N 0.739 120.243 119.950 -0.743 0.000 2.161 686 F HA -0.214 4.313 4.527 0.001 0.000 0.300 686 F C 2.170 177.840 175.800 -0.217 0.000 1.089 686 F CA 1.079 58.783 58.000 -0.493 0.000 1.282 686 F CB -0.452 38.233 39.000 -0.525 0.000 1.010 686 F HN 0.165 nan 8.300 nan 0.000 0.485 687 M N -0.787 118.832 119.600 0.031 0.000 2.557 687 M HA -0.121 4.360 4.480 0.001 0.000 0.259 687 M C 1.854 178.170 176.300 0.026 0.000 1.086 687 M CA 0.809 56.125 55.300 0.027 0.000 1.096 687 M CB -1.237 31.392 32.600 0.048 0.000 1.424 687 M HN 0.200 nan 8.290 nan 0.000 0.488 688 E N 0.877 121.102 120.200 0.042 0.000 2.187 688 E HA -0.188 4.163 4.350 0.001 0.000 0.199 688 E C 1.929 178.542 176.600 0.022 0.000 1.004 688 E CA 1.635 58.065 56.400 0.049 0.000 0.813 688 E CB -0.025 29.727 29.700 0.087 0.000 0.736 688 E HN 0.543 nan 8.360 nan 0.000 0.468 689 A N 0.322 123.138 122.820 -0.006 0.000 2.119 689 A HA -0.101 4.219 4.320 0.001 0.000 0.217 689 A C 1.812 179.394 177.584 -0.002 0.000 1.153 689 A CA 0.659 52.687 52.037 -0.014 0.000 0.692 689 A CB -0.128 18.845 19.000 -0.046 0.000 0.799 689 A HN 0.153 nan 8.150 nan 0.000 0.458 690 I N -0.511 120.063 120.570 0.007 0.000 2.716 690 I HA -0.057 4.113 4.170 0.001 0.000 0.259 690 I C 2.761 178.896 176.117 0.030 0.000 1.172 690 I CA 0.895 62.209 61.300 0.023 0.000 1.478 690 I CB -1.658 36.365 38.000 0.040 0.000 1.104 690 I HN 0.320 nan 8.210 nan 0.000 0.439 691 A N 2.423 125.260 122.820 0.029 0.000 1.869 691 A HA -0.175 4.146 4.320 0.001 0.000 0.218 691 A C 0.239 177.836 177.584 0.020 0.000 1.203 691 A CA 2.116 54.171 52.037 0.030 0.000 0.638 691 A CB -2.135 16.884 19.000 0.031 0.000 0.831 691 A HN 0.262 nan 8.150 nan 0.000 0.450 692 P HA -0.121 nan 4.420 nan 0.000 0.214 692 P C -1.312 175.985 177.300 -0.005 0.000 1.163 692 P CA 2.240 65.343 63.100 0.005 0.000 0.883 692 P CB -0.822 30.880 31.700 0.004 0.000 0.788 693 P HA -0.092 nan 4.420 nan 0.000 0.219 693 P C 1.680 178.963 177.300 -0.028 0.000 1.150 693 P CA 0.919 64.010 63.100 -0.016 0.000 0.814 693 P CB -0.295 31.408 31.700 0.005 0.000 0.787 694 L N -0.112 121.115 121.223 0.007 0.000 2.017 694 L HA -0.092 4.249 4.340 0.001 0.000 0.208 694 L C 2.414 179.279 176.870 -0.009 0.000 1.073 694 L CA 1.537 56.391 54.840 0.024 0.000 0.745 694 L CB -1.814 40.283 42.059 0.064 0.000 0.894 694 L HN -0.165 nan 8.230 nan 0.000 0.432 695 L N -0.329 120.893 121.223 -0.003 0.000 2.079 695 L HA -0.266 4.074 4.340 0.001 0.000 0.210 695 L C 2.619 179.465 176.870 -0.041 0.000 1.081 695 L CA 2.238 57.074 54.840 -0.006 0.000 0.752 695 L CB -0.776 41.285 42.059 0.004 0.000 0.896 695 L HN 0.613 nan 8.230 nan 0.000 0.433 696 Q N -1.088 118.673 119.800 -0.064 0.000 2.119 696 Q HA -0.206 4.134 4.340 0.001 0.000 0.201 696 Q C 1.860 177.755 176.000 -0.176 0.000 0.972 696 Q CA 1.566 57.311 55.803 -0.096 0.000 0.847 696 Q CB -0.020 28.665 28.738 -0.087 0.000 0.903 696 Q HN 0.561 nan 8.270 nan 0.000 0.433 697 E N 0.606 120.643 120.200 -0.272 0.000 2.072 697 E HA -0.108 4.243 4.350 0.001 0.000 0.190 697 E C 2.176 178.564 176.600 -0.354 0.000 0.982 697 E CA 0.701 56.775 56.400 -0.544 0.000 0.803 697 E CB -0.134 28.989 29.700 -0.961 0.000 0.755 697 E HN 0.447 nan 8.360 nan 0.000 0.453 698 L N 0.582 121.714 121.223 -0.152 0.000 2.201 698 L HA -0.120 4.221 4.340 0.001 0.000 0.212 698 L C 2.323 179.186 176.870 -0.012 0.000 1.105 698 L CA 0.952 55.777 54.840 -0.024 0.000 0.775 698 L CB -0.274 41.813 42.059 0.047 0.000 0.913 698 L HN 0.046 nan 8.230 nan 0.000 0.440 699 K N 0.174 120.552 120.400 -0.037 0.000 2.211 699 K HA -0.123 4.198 4.320 0.001 0.000 0.203 699 K C 1.977 178.567 176.600 -0.017 0.000 1.050 699 K CA 0.945 57.222 56.287 -0.016 0.000 0.945 699 K CB 0.129 32.616 32.500 -0.021 0.000 0.732 699 K HN 0.288 nan 8.250 nan 0.000 0.451 700 K N -0.024 120.347 120.400 -0.047 0.000 2.243 700 K HA 0.004 4.324 4.320 0.001 0.000 0.201 700 K C 1.845 178.458 176.600 0.021 0.000 1.051 700 K CA 0.612 56.884 56.287 -0.025 0.000 0.970 700 K CB 0.342 32.805 32.500 -0.061 0.000 0.755 700 K HN -0.059 nan 8.250 nan 0.000 0.465 701 V N 1.666 121.599 119.914 0.033 0.000 2.379 701 V HA -0.044 4.077 4.120 0.001 0.000 0.243 701 V C 1.291 177.437 176.094 0.087 0.000 1.035 701 V CA 1.008 63.368 62.300 0.100 0.000 1.035 701 V CB -0.053 31.870 31.823 0.166 0.000 0.673 701 V HN 0.183 nan 8.190 nan 0.000 0.457 702 I N 0.637 121.249 120.570 0.071 0.000 2.317 702 I HA 0.271 4.441 4.170 0.001 0.000 0.286 702 I C 1.330 177.475 176.117 0.046 0.000 1.119 702 I CA -0.027 61.313 61.300 0.066 0.000 1.228 702 I CB 0.355 38.400 38.000 0.076 0.000 1.476 702 I HN 0.082 nan 8.210 nan 0.000 0.514 703 R N 2.337 122.861 120.500 0.041 0.000 2.148 703 R HA 0.019 4.360 4.340 0.001 0.000 0.223 703 R C 0.028 176.343 176.300 0.025 0.000 1.088 703 R CA 1.042 57.159 56.100 0.029 0.000 0.985 703 R CB 0.176 30.492 30.300 0.027 0.000 0.880 703 R HN 0.533 nan 8.270 nan 0.000 0.451 704 E N 0.383 120.599 120.200 0.027 0.000 2.914 704 E HA 0.217 4.567 4.350 0.001 0.000 0.246 704 E C -2.539 174.073 176.600 0.020 0.000 1.146 704 E CA -1.886 54.526 56.400 0.020 0.000 0.803 704 E CB 1.537 31.247 29.700 0.016 0.000 1.409 704 E HN -0.006 nan 8.360 nan 0.000 0.392 705 P HA -0.070 nan 4.420 nan 0.000 0.266 705 P C -0.634 176.669 177.300 0.004 0.000 1.186 705 P CA 0.283 63.393 63.100 0.017 0.000 0.767 705 P CB 0.673 32.382 31.700 0.015 0.000 0.820 706 K N 2.956 123.356 120.400 -0.000 0.000 2.318 706 K HA 0.464 4.785 4.320 0.001 0.000 0.249 706 K C -2.475 174.106 176.600 -0.031 0.000 0.942 706 K CA -2.227 54.054 56.287 -0.010 0.000 0.808 706 K CB 1.509 34.008 32.500 -0.001 0.000 1.189 706 K HN 0.335 nan 8.250 nan 0.000 0.428 707 P HA 0.071 nan 4.420 nan 0.000 0.271 707 P C -1.017 176.241 177.300 -0.069 0.000 1.216 707 P CA -0.088 62.972 63.100 -0.067 0.000 0.776 707 P CB 0.591 32.259 31.700 -0.052 0.000 0.881 708 R N 1.540 121.954 120.500 -0.143 0.000 2.298 708 R HA 0.253 4.593 4.340 0.001 0.000 0.310 708 R C 1.174 177.421 176.300 -0.089 0.000 1.068 708 R CA -0.303 55.729 56.100 -0.112 0.000 0.957 708 R CB 0.336 30.345 30.300 -0.485 0.000 1.003 708 R HN 0.572 nan 8.270 nan 0.000 0.454 709 S N 2.121 117.818 115.700 -0.006 0.000 2.598 709 S HA 0.055 4.525 4.470 0.001 0.000 0.256 709 S C 1.340 175.893 174.600 -0.078 0.000 1.350 709 S CA -0.020 58.152 58.200 -0.048 0.000 0.984 709 S CB 1.190 64.358 63.200 -0.053 0.000 0.930 709 S HN 0.690 nan 8.310 nan 0.000 0.577 710 A N 1.139 123.907 122.820 -0.088 0.000 2.168 710 A HA 0.054 4.374 4.320 0.001 0.000 0.215 710 A C 2.290 179.807 177.584 -0.113 0.000 1.152 710 A CA 0.750 52.729 52.037 -0.097 0.000 0.716 710 A CB -0.583 18.383 19.000 -0.058 0.000 0.794 710 A HN 0.899 nan 8.150 nan 0.000 0.465 711 R N -2.075 118.344 120.500 -0.136 0.000 2.115 711 R HA -0.125 4.215 4.340 0.001 0.000 0.230 711 R C 0.445 176.642 176.300 -0.173 0.000 1.111 711 R CA 0.789 56.741 56.100 -0.247 0.000 0.976 711 R CB -0.113 30.003 30.300 -0.306 0.000 0.870 711 R HN 0.617 nan 8.270 nan 0.000 0.445 712 W N 2.245 123.373 121.300 -0.287 0.000 2.433 712 W HA 0.214 4.874 4.660 0.001 0.000 0.331 712 W C -1.205 175.137 176.519 -0.296 0.000 1.110 712 W CA -1.491 55.708 57.345 -0.243 0.000 1.450 712 W CB 0.140 29.468 29.460 -0.221 0.000 1.348 712 W HN -0.118 nan 8.180 nan 0.000 0.415 713 L N 5.903 127.158 121.223 0.053 0.000 2.283 713 L HA 0.111 4.452 4.340 0.001 0.000 0.287 713 L C 0.947 177.687 176.870 -0.217 0.000 1.073 713 L CA -0.358 54.303 54.840 -0.299 0.000 0.822 713 L CB 0.421 42.496 42.059 0.026 0.000 1.186 713 L HN 0.413 nan 8.230 nan 0.000 0.436 714 S N 1.693 117.030 115.700 -0.605 0.000 2.537 714 S HA 0.103 4.573 4.470 0.001 0.000 0.286 714 S C 1.240 175.926 174.600 0.144 0.000 1.299 714 S CA 0.239 58.304 58.200 -0.224 0.000 1.067 714 S CB 0.352 63.392 63.200 -0.268 0.000 0.864 714 S HN 0.794 nan 8.310 nan 0.000 0.494 715 T N 0.642 115.318 114.554 0.203 0.000 3.054 715 T HA 0.119 4.469 4.350 0.001 0.000 0.255 715 T C 1.469 176.231 174.700 0.104 0.000 1.035 715 T CA 0.396 62.608 62.100 0.186 0.000 0.941 715 T CB -0.135 68.857 68.868 0.208 0.000 1.026 715 T HN 0.609 nan 8.240 nan 0.000 0.533 716 S N 0.490 116.234 115.700 0.074 0.000 2.492 716 S HA 0.398 4.868 4.470 0.001 0.000 0.218 716 S C 0.380 174.976 174.600 -0.007 0.000 1.016 716 S CA -0.522 57.666 58.200 -0.021 0.000 0.916 716 S CB -0.350 62.753 63.200 -0.162 0.000 0.791 716 S HN 0.484 nan 8.310 nan 0.000 0.513 717 I N 2.733 123.349 120.570 0.077 0.000 2.433 717 I HA 0.468 4.639 4.170 0.001 0.000 0.292 717 I C -2.762 173.509 176.117 0.257 0.000 1.001 717 I CA -2.857 58.531 61.300 0.147 0.000 1.119 717 I CB 2.175 40.282 38.000 0.179 0.000 1.289 717 I HN -0.051 nan 8.210 nan 0.000 0.438 718 P HA 0.037 nan 4.420 nan 0.000 0.269 718 P C 0.557 177.639 177.300 -0.363 0.000 1.209 718 P CA -0.123 62.952 63.100 -0.041 0.000 0.776 718 P CB 0.709 32.390 31.700 -0.031 0.000 0.876 719 E N 2.903 122.638 120.200 -0.775 0.000 2.108 719 E HA -0.326 4.024 4.350 0.001 0.000 0.203 719 E C 1.745 177.865 176.600 -0.801 0.000 1.022 719 E CA 1.899 57.327 56.400 -1.621 0.000 0.823 719 E CB -0.477 28.580 29.700 -1.072 0.000 0.744 719 E HN 0.497 nan 8.360 nan 0.000 0.456 720 A N 0.044 122.645 122.820 -0.364 0.000 2.032 720 A HA -0.233 4.087 4.320 0.001 0.000 0.221 720 A C 1.852 179.443 177.584 0.011 0.000 1.165 720 A CA 1.791 53.756 52.037 -0.119 0.000 0.645 720 A CB -0.297 18.669 19.000 -0.058 0.000 0.807 720 A HN 0.320 nan 8.150 nan 0.000 0.453 721 Q N -2.120 117.639 119.800 -0.069 0.000 2.198 721 Q HA 0.088 4.428 4.340 0.001 0.000 0.209 721 Q C 0.776 176.773 176.000 -0.005 0.000 0.848 721 Q CA -0.271 55.486 55.803 -0.077 0.000 0.974 721 Q CB 0.147 28.852 28.738 -0.054 0.000 1.115 721 Q HN 0.798 nan 8.270 nan 0.000 0.494 722 W N 0.580 121.840 121.300 -0.067 0.000 2.424 722 W HA -0.148 4.512 4.660 0.001 0.000 0.264 722 W C 1.842 178.320 176.519 -0.068 0.000 1.229 722 W CA 1.359 58.665 57.345 -0.066 0.000 1.208 722 W CB -0.651 28.789 29.460 -0.033 0.000 1.127 722 W HN 0.504 nan 8.180 nan 0.000 0.588 723 H N -0.700 118.486 119.070 0.194 0.000 2.551 723 H HA 0.115 4.671 4.556 0.001 0.000 0.266 723 H C 0.910 176.283 175.328 0.075 0.000 0.964 723 H CA 0.998 57.111 56.048 0.108 0.000 1.180 723 H CB -0.622 29.186 29.762 0.077 0.000 1.408 723 H HN -0.083 nan 8.280 nan 0.000 0.563 724 S N 0.954 116.328 115.700 -0.542 0.000 2.580 724 S HA -0.026 4.444 4.470 0.001 0.000 0.266 724 S C 1.694 176.252 174.600 -0.070 0.000 1.354 724 S CA -0.004 58.021 58.200 -0.291 0.000 1.008 724 S CB 1.614 64.656 63.200 -0.263 0.000 0.898 724 S HN 0.467 nan 8.310 nan 0.000 0.555 725 S N 0.954 116.643 115.700 -0.018 0.000 2.399 725 S HA -0.144 4.326 4.470 0.001 0.000 0.231 725 S C 1.672 176.277 174.600 0.009 0.000 1.022 725 S CA 1.081 59.284 58.200 0.005 0.000 0.983 725 S CB -0.822 62.388 63.200 0.018 0.000 0.803 725 S HN 0.709 nan 8.310 nan 0.000 0.480 726 L N 2.064 123.293 121.223 0.011 0.000 2.017 726 L HA 0.212 4.552 4.340 0.001 0.000 0.208 726 L C 2.555 179.492 176.870 0.112 0.000 1.073 726 L CA 2.097 56.967 54.840 0.050 0.000 0.745 726 L CB -1.271 40.805 42.059 0.028 0.000 0.894 726 L HN 0.363 nan 8.230 nan 0.000 0.432 727 A N -0.616 122.246 122.820 0.071 0.000 2.168 727 A HA -0.151 4.170 4.320 0.001 0.000 0.215 727 A C 2.429 179.961 177.584 -0.087 0.000 1.152 727 A CA 1.192 53.278 52.037 0.082 0.000 0.716 727 A CB -0.721 18.312 19.000 0.054 0.000 0.794 727 A HN 0.572 nan 8.150 nan 0.000 0.465 728 R N 0.247 120.704 120.500 -0.072 0.000 2.090 728 R HA -0.050 4.290 4.340 0.001 0.000 0.228 728 R C 0.618 176.814 176.300 -0.174 0.000 1.110 728 R CA 1.730 57.762 56.100 -0.114 0.000 0.973 728 R CB -0.205 30.064 30.300 -0.051 0.000 0.869 728 R HN 0.495 nan 8.270 nan 0.000 0.440 729 T N -2.686 111.774 114.554 -0.156 0.000 2.942 729 T HA 0.249 4.600 4.350 0.001 0.000 0.289 729 T C -0.221 174.307 174.700 -0.286 0.000 1.044 729 T CA -0.846 61.154 62.100 -0.166 0.000 1.023 729 T CB 1.807 70.639 68.868 -0.061 0.000 1.123 729 T HN -0.021 nan 8.240 nan 0.000 0.512 730 S N 1.761 117.339 115.700 -0.204 0.000 3.940 730 S HA 0.403 4.873 4.470 0.001 0.000 0.210 730 S C 0.483 175.097 174.600 0.024 0.000 1.419 730 S CA -0.778 57.328 58.200 -0.156 0.000 0.912 730 S CB -1.533 61.715 63.200 0.081 0.000 1.489 730 S HN 0.862 nan 8.310 nan 0.000 0.469 731 S N 2.361 118.101 115.700 0.066 0.000 2.713 731 S HA 0.732 5.203 4.470 0.001 0.000 0.277 731 S C 1.617 176.301 174.600 0.141 0.000 1.168 731 S CA -0.360 57.898 58.200 0.096 0.000 0.994 731 S CB 0.840 64.089 63.200 0.081 0.000 1.054 731 S HN 0.595 nan 8.310 nan 0.000 0.555 732 A N 0.650 123.530 122.820 0.100 0.000 1.883 732 A HA -0.107 4.213 4.320 0.001 0.000 0.217 732 A C 2.003 179.646 177.584 0.099 0.000 1.186 732 A CA 1.989 54.081 52.037 0.091 0.000 0.624 732 A CB -1.394 17.637 19.000 0.052 0.000 0.822 732 A HN 0.881 nan 8.150 nan 0.000 0.444 733 E N -1.419 118.835 120.200 0.090 0.000 2.058 733 E HA -0.201 4.150 4.350 0.001 0.000 0.194 733 E C 1.818 178.475 176.600 0.096 0.000 0.997 733 E CA 1.585 58.031 56.400 0.076 0.000 0.801 733 E CB -0.507 29.230 29.700 0.062 0.000 0.746 733 E HN 0.765 nan 8.360 nan 0.000 0.450 734 Y N 1.541 121.853 120.300 0.020 0.000 2.181 734 Y HA -0.209 4.341 4.550 0.001 0.000 0.288 734 Y C 1.693 177.622 175.900 0.049 0.000 1.146 734 Y CA 1.556 59.664 58.100 0.014 0.000 1.164 734 Y CB -0.055 38.395 38.460 -0.017 0.000 0.982 734 Y HN 0.038 nan 8.280 nan 0.000 0.515 735 N N -0.413 118.447 118.700 0.266 0.000 2.216 735 N HA -0.140 4.600 4.740 0.001 0.000 0.183 735 N C 1.929 177.490 175.510 0.086 0.000 1.017 735 N CA 1.470 54.640 53.050 0.200 0.000 0.861 735 N CB -0.255 38.361 38.487 0.214 0.000 0.986 735 N HN 0.288 nan 8.380 nan 0.000 0.428 736 V N 2.281 122.235 119.914 0.068 0.000 2.358 736 V HA -0.175 3.945 4.120 0.001 0.000 0.246 736 V C 2.299 178.402 176.094 0.016 0.000 1.047 736 V CA 1.313 63.640 62.300 0.045 0.000 1.035 736 V CB -0.623 31.226 31.823 0.043 0.000 0.658 736 V HN 0.427 nan 8.190 nan 0.000 0.452 737 N N 0.751 119.434 118.700 -0.028 0.000 2.223 737 N HA -0.240 4.500 4.740 0.001 0.000 0.185 737 N C 1.842 177.317 175.510 -0.058 0.000 1.016 737 N CA 1.516 54.531 53.050 -0.058 0.000 0.863 737 N CB -0.295 38.119 38.487 -0.121 0.000 0.983 737 N HN 0.600 nan 8.380 nan 0.000 0.429 738 N N 1.521 120.165 118.700 -0.094 0.000 2.069 738 N HA -0.194 4.547 4.740 0.001 0.000 0.191 738 N C 2.036 177.635 175.510 0.148 0.000 1.031 738 N CA 0.907 53.953 53.050 -0.007 0.000 0.852 738 N CB -0.430 38.067 38.487 0.016 0.000 1.018 738 N HN 0.283 nan 8.380 nan 0.000 0.423 739 L N 1.374 122.640 121.223 0.073 0.000 2.079 739 L HA -0.096 4.244 4.340 0.001 0.000 0.210 739 L C 2.293 179.163 176.870 0.001 0.000 1.081 739 L CA 1.517 56.351 54.840 -0.010 0.000 0.752 739 L CB -0.444 41.621 42.059 0.011 0.000 0.896 739 L HN 0.263 nan 8.230 nan 0.000 0.433 740 V N -4.427 115.530 119.914 0.072 0.000 3.506 740 V HA 0.295 4.415 4.120 0.001 0.000 0.263 740 V C 0.885 177.069 176.094 0.149 0.000 1.203 740 V CA 0.324 62.681 62.300 0.094 0.000 1.133 740 V CB -0.424 31.446 31.823 0.078 0.000 0.802 740 V HN 0.325 nan 8.190 nan 0.000 0.459 741 S N 1.946 117.756 115.700 0.185 0.000 2.681 741 S HA 0.637 5.108 4.470 0.001 0.000 0.299 741 S C -2.688 172.061 174.600 0.249 0.000 1.113 741 S CA -1.057 57.254 58.200 0.184 0.000 1.013 741 S CB 1.521 64.783 63.200 0.104 0.000 1.076 741 S HN 0.327 nan 8.310 nan 0.000 0.534 742 P HA 0.177 nan 4.420 nan 0.000 0.272 742 P C -1.001 176.324 177.300 0.043 0.000 1.240 742 P CA -0.361 62.873 63.100 0.223 0.000 0.791 742 P CB 0.308 32.251 31.700 0.406 0.000 0.978 743 V N 2.856 122.716 119.914 -0.090 0.000 2.318 743 V HA 0.154 4.274 4.120 0.001 0.000 0.271 743 V C 0.741 176.754 176.094 -0.135 0.000 1.030 743 V CA -0.228 61.926 62.300 -0.243 0.000 0.844 743 V CB 0.196 31.668 31.823 -0.585 0.000 1.015 743 V HN 0.322 nan 8.190 nan 0.000 0.460 744 L N 5.275 126.462 121.223 -0.060 0.000 2.536 744 L HA 0.251 4.591 4.340 0.001 0.000 0.242 744 L C 1.107 177.970 176.870 -0.011 0.000 1.280 744 L CA -0.041 54.746 54.840 -0.087 0.000 1.221 744 L CB -0.480 41.571 42.059 -0.014 0.000 1.449 744 L HN 0.555 nan 8.230 nan 0.000 0.405 745 F N 0.853 120.685 119.950 -0.197 0.000 2.074 745 F HA -0.164 4.364 4.527 0.001 0.000 0.293 745 F C 2.532 178.267 175.800 -0.108 0.000 1.116 745 F CA 1.573 59.516 58.000 -0.095 0.000 1.212 745 F CB 0.103 39.096 39.000 -0.012 0.000 0.998 745 F HN 0.362 nan 8.300 nan 0.000 0.471 746 Q N 0.664 120.336 119.800 -0.215 0.000 2.133 746 Q HA -0.264 4.076 4.340 0.001 0.000 0.208 746 Q C 2.039 177.888 176.000 -0.253 0.000 0.991 746 Q CA 2.197 57.786 55.803 -0.356 0.000 0.867 746 Q CB -0.378 27.949 28.738 -0.686 0.000 0.911 746 Q HN 0.498 nan 8.270 nan 0.000 0.417 747 E N -0.003 120.053 120.200 -0.241 0.000 2.097 747 E HA -0.171 4.180 4.350 0.001 0.000 0.196 747 E C 1.767 178.450 176.600 0.138 0.000 1.000 747 E CA 1.513 57.875 56.400 -0.064 0.000 0.804 747 E CB -0.316 29.356 29.700 -0.047 0.000 0.740 747 E HN 0.426 nan 8.360 nan 0.000 0.454 748 A N 0.463 123.336 122.820 0.087 0.000 1.897 748 A HA -0.092 4.228 4.320 0.001 0.000 0.215 748 A C 2.160 179.798 177.584 0.091 0.000 1.181 748 A CA 0.890 53.034 52.037 0.179 0.000 0.620 748 A CB -0.609 18.460 19.000 0.116 0.000 0.821 748 A HN 0.193 nan 8.150 nan 0.000 0.443 749 L N -1.483 119.650 121.223 -0.150 0.000 2.129 749 L HA -0.241 4.099 4.340 0.001 0.000 0.212 749 L C 2.545 179.357 176.870 -0.097 0.000 1.087 749 L CA 1.303 56.009 54.840 -0.224 0.000 0.757 749 L CB -0.507 41.366 42.059 -0.311 0.000 0.896 749 L HN 0.756 nan 8.230 nan 0.000 0.434 750 W N 0.652 121.855 121.300 -0.162 0.000 2.392 750 W HA -0.191 4.470 4.660 0.001 0.000 0.279 750 W C 1.951 178.323 176.519 -0.245 0.000 1.225 750 W CA 1.399 58.626 57.345 -0.197 0.000 1.233 750 W CB -0.117 29.221 29.460 -0.204 0.000 1.122 750 W HN 0.345 nan 8.180 nan 0.000 0.561 751 H N -0.880 118.184 119.070 -0.010 0.000 2.551 751 H HA 0.054 4.610 4.556 0.001 0.000 0.266 751 H C 0.654 175.824 175.328 -0.263 0.000 0.977 751 H CA 0.351 56.372 56.048 -0.044 0.000 1.163 751 H CB -0.329 29.530 29.762 0.162 0.000 1.381 751 H HN -0.322 nan 8.280 nan 0.000 0.581 752 V N 4.902 124.556 119.914 -0.433 0.000 2.479 752 V HA 0.053 4.173 4.120 0.001 0.000 0.281 752 V C -1.645 174.131 176.094 -0.531 0.000 1.031 752 V CA -1.449 60.337 62.300 -0.855 0.000 1.038 752 V CB 0.769 31.977 31.823 -1.025 0.000 0.981 752 V HN 0.199 nan 8.190 nan 0.000 0.478 753 P HA 0.128 nan 4.420 nan 0.000 0.273 753 P C -0.061 177.082 177.300 -0.261 0.000 1.250 753 P CA -0.434 62.535 63.100 -0.219 0.000 0.793 753 P CB 0.687 32.365 31.700 -0.037 0.000 1.011 754 E N 0.119 120.167 120.200 -0.255 0.000 2.404 754 E HA -0.036 4.315 4.350 0.001 0.000 0.261 754 E C 0.423 176.859 176.600 -0.274 0.000 1.074 754 E CA 0.184 56.355 56.400 -0.383 0.000 0.917 754 E CB -0.110 29.289 29.700 -0.502 0.000 0.965 754 E HN 0.559 nan 8.360 nan 0.000 0.433 755 H N -2.240 116.775 119.070 -0.091 0.000 3.211 755 H HA -0.198 4.359 4.556 0.001 0.000 0.240 755 H C 0.143 175.449 175.328 -0.037 0.000 1.148 755 H CA 0.781 56.794 56.048 -0.059 0.000 1.160 755 H CB -2.024 27.711 29.762 -0.045 0.000 1.232 755 H HN 0.549 nan 8.280 nan 0.000 0.321 756 A N 0.830 123.654 122.820 0.008 0.000 2.466 756 A HA 0.439 4.760 4.320 0.001 0.000 0.238 756 A C 0.744 178.366 177.584 0.063 0.000 1.074 756 A CA 0.217 52.277 52.037 0.039 0.000 0.774 756 A CB 0.705 19.624 19.000 -0.135 0.000 1.015 756 A HN 0.132 nan 8.150 nan 0.000 0.498 757 V N 3.110 123.102 119.914 0.130 0.000 2.347 757 V HA 0.354 4.474 4.120 0.001 0.000 0.280 757 V C -0.277 175.922 176.094 0.175 0.000 1.021 757 V CA -0.367 62.000 62.300 0.112 0.000 0.847 757 V CB 1.162 33.039 31.823 0.090 0.000 0.990 757 V HN 0.590 nan 8.190 nan 0.000 0.444 758 V N 6.962 126.956 119.914 0.133 0.000 2.384 758 V HA 0.477 4.597 4.120 0.001 0.000 0.287 758 V C -0.140 176.042 176.094 0.145 0.000 1.020 758 V CA -0.490 61.919 62.300 0.182 0.000 0.850 758 V CB 1.611 33.505 31.823 0.119 0.000 0.987 758 V HN 0.628 nan 8.190 nan 0.000 0.436 759 L N 4.012 125.347 121.223 0.186 0.000 2.295 759 L HA 0.544 4.885 4.340 0.001 0.000 0.285 759 L C 0.321 177.235 176.870 0.074 0.000 1.035 759 L CA -0.332 54.554 54.840 0.077 0.000 0.806 759 L CB 1.738 43.786 42.059 -0.017 0.000 1.214 759 L HN 0.637 nan 8.230 nan 0.000 0.426 760 E N 4.090 124.321 120.200 0.050 0.000 2.089 760 E HA 0.212 4.563 4.350 0.001 0.000 0.284 760 E C -0.713 175.903 176.600 0.027 0.000 1.023 760 E CA -0.729 55.707 56.400 0.059 0.000 0.819 760 E CB 0.773 30.504 29.700 0.053 0.000 1.076 760 E HN 0.355 nan 8.360 nan 0.000 0.396 761 I N 4.127 124.705 120.570 0.014 0.000 2.278 761 I HA 0.383 4.553 4.170 0.001 0.000 0.296 761 I C 0.093 176.225 176.117 0.025 0.000 1.121 761 I CA 0.008 61.303 61.300 -0.010 0.000 1.267 761 I CB -0.452 37.516 38.000 -0.053 0.000 1.447 761 I HN 0.458 nan 8.210 nan 0.000 0.509 762 A N 8.859 131.707 122.820 0.046 0.000 2.599 762 A HA 0.657 4.977 4.320 0.001 0.000 0.294 762 A C -2.372 175.275 177.584 0.106 0.000 1.055 762 A CA -0.687 51.382 52.037 0.053 0.000 0.683 762 A CB 1.406 20.422 19.000 0.026 0.000 1.278 762 A HN 0.316 nan 8.150 nan 0.000 0.412 763 P HA -0.008 nan 4.420 nan 0.000 0.230 763 P C 0.023 177.613 177.300 0.483 0.000 1.158 763 P CA 1.555 64.796 63.100 0.235 0.000 0.769 763 P CB -0.022 31.732 31.700 0.089 0.000 0.807 764 H N -0.567 118.629 119.070 0.210 0.000 3.083 764 H HA 0.564 5.121 4.556 0.001 0.000 0.339 764 H C -1.097 174.260 175.328 0.049 0.000 1.020 764 H CA -0.908 55.204 56.048 0.106 0.000 1.360 764 H CB 0.932 30.743 29.762 0.081 0.000 1.811 764 H HN -0.159 nan 8.280 nan 0.000 0.493 765 A N 5.483 128.019 122.820 -0.473 0.000 3.026 765 A HA 0.146 4.467 4.320 0.001 0.000 0.272 765 A C 1.200 178.469 177.584 -0.525 0.000 1.782 765 A CA -0.200 51.631 52.037 -0.343 0.000 1.451 765 A CB -0.996 17.943 19.000 -0.101 0.000 1.081 765 A HN 0.750 nan 8.150 nan 0.000 0.611 766 L N 1.962 122.904 121.223 -0.468 0.000 2.093 766 L HA -0.026 4.314 4.340 0.001 0.000 0.208 766 L C 1.814 178.593 176.870 -0.152 0.000 1.085 766 L CA 1.742 56.415 54.840 -0.278 0.000 0.755 766 L CB -0.184 41.806 42.059 -0.115 0.000 0.904 766 L HN 0.640 nan 8.230 nan 0.000 0.435 767 L N -0.732 120.411 121.223 -0.134 0.000 2.599 767 L HA -0.013 4.327 4.340 0.001 0.000 0.230 767 L C 2.218 179.090 176.870 0.004 0.000 1.141 767 L CA -0.207 54.591 54.840 -0.070 0.000 0.877 767 L CB -0.536 41.482 42.059 -0.070 0.000 1.009 767 L HN 0.325 nan 8.230 nan 0.000 0.447 768 Q N 0.744 120.533 119.800 -0.018 0.000 2.062 768 Q HA -0.271 4.070 4.340 0.001 0.000 0.209 768 Q C 2.460 178.475 176.000 0.026 0.000 0.996 768 Q CA 2.228 58.039 55.803 0.012 0.000 0.859 768 Q CB -0.390 28.350 28.738 0.005 0.000 0.920 768 Q HN 0.584 nan 8.270 nan 0.000 0.415 769 A N 0.226 123.056 122.820 0.016 0.000 1.898 769 A HA -0.104 4.216 4.320 0.001 0.000 0.216 769 A C 2.488 180.093 177.584 0.035 0.000 1.181 769 A CA 1.480 53.529 52.037 0.019 0.000 0.620 769 A CB -0.689 18.315 19.000 0.007 0.000 0.819 769 A HN 0.215 nan 8.150 nan 0.000 0.442 770 V N 0.091 120.037 119.914 0.054 0.000 2.343 770 V HA -0.262 3.858 4.120 0.001 0.000 0.247 770 V C 2.569 178.738 176.094 0.125 0.000 1.051 770 V CA 1.972 64.332 62.300 0.101 0.000 1.036 770 V CB -0.660 31.243 31.823 0.134 0.000 0.654 770 V HN 0.572 nan 8.190 nan 0.000 0.451 771 L N -0.824 120.476 121.223 0.128 0.000 2.017 771 L HA -0.208 4.132 4.340 0.001 0.000 0.208 771 L C 2.592 179.479 176.870 0.029 0.000 1.073 771 L CA 1.630 56.529 54.840 0.098 0.000 0.745 771 L CB -0.486 41.635 42.059 0.104 0.000 0.894 771 L HN 0.236 nan 8.230 nan 0.000 0.432 772 K N -0.050 120.366 120.400 0.025 0.000 2.032 772 K HA -0.198 4.123 4.320 0.001 0.000 0.209 772 K C 2.173 178.772 176.600 -0.003 0.000 1.048 772 K CA 1.532 57.821 56.287 0.004 0.000 0.927 772 K CB -0.133 32.372 32.500 0.008 0.000 0.712 772 K HN 0.056 nan 8.250 nan 0.000 0.441 773 R N -0.985 119.524 120.500 0.014 0.000 2.075 773 R HA -0.030 4.310 4.340 0.001 0.000 0.232 773 R C 2.232 178.542 176.300 0.017 0.000 1.126 773 R CA 1.584 57.695 56.100 0.018 0.000 0.963 773 R CB -0.457 29.862 30.300 0.031 0.000 0.858 773 R HN 0.358 nan 8.270 nan 0.000 0.435 774 G N -0.672 108.135 108.800 0.012 0.000 2.777 774 G HA2 0.118 4.078 3.960 0.001 0.000 0.211 774 G HA3 0.118 4.078 3.960 0.001 0.000 0.211 774 G C 0.264 175.131 174.900 -0.054 0.000 1.149 774 G CA -0.100 44.999 45.100 -0.001 0.000 0.785 774 G HN 0.023 nan 8.290 nan 0.000 0.536 775 L N 0.504 121.673 121.223 -0.089 0.000 2.344 775 L HA 0.385 4.725 4.340 0.001 0.000 0.272 775 L C 0.113 176.877 176.870 -0.177 0.000 1.035 775 L CA -1.007 53.734 54.840 -0.164 0.000 0.807 775 L CB 1.639 43.605 42.059 -0.154 0.000 1.237 775 L HN -0.042 nan 8.230 nan 0.000 0.442 776 K N 1.990 122.235 120.400 -0.258 0.000 2.414 776 K HA 0.055 4.375 4.320 0.001 0.000 0.272 776 K C -1.699 174.791 176.600 -0.182 0.000 0.993 776 K CA -1.252 54.883 56.287 -0.254 0.000 0.964 776 K CB 0.292 32.593 32.500 -0.332 0.000 0.925 776 K HN 0.291 nan 8.250 nan 0.000 0.487 777 P HA -0.170 nan 4.420 nan 0.000 0.223 777 P C 0.856 178.104 177.300 -0.086 0.000 1.144 777 P CA 1.116 64.160 63.100 -0.094 0.000 0.783 777 P CB 0.153 31.809 31.700 -0.074 0.000 0.771 778 S N -2.870 112.749 115.700 -0.135 0.000 2.603 778 S HA 0.004 4.475 4.470 0.001 0.000 0.220 778 S C 0.774 175.344 174.600 -0.051 0.000 0.967 778 S CA -0.272 57.869 58.200 -0.098 0.000 0.920 778 S CB -1.337 61.673 63.200 -0.316 0.000 0.773 778 S HN 0.025 nan 8.310 nan 0.000 0.529 779 C N 2.438 121.684 119.300 -0.089 0.000 2.539 779 C HA 0.586 5.046 4.460 0.001 0.000 0.392 779 C C 0.801 175.777 174.990 -0.023 0.000 1.269 779 C CA -0.487 58.492 59.018 -0.065 0.000 2.250 779 C CB 0.430 28.102 27.740 -0.115 0.000 2.584 779 C HN 0.418 nan 8.230 nan 0.000 0.589 780 T N 3.782 118.336 114.554 -0.000 0.000 2.758 780 T HA 0.505 4.855 4.350 0.001 0.000 0.285 780 T C -0.325 174.383 174.700 0.014 0.000 0.981 780 T CA 0.035 62.140 62.100 0.008 0.000 0.965 780 T CB 0.322 69.198 68.868 0.013 0.000 0.927 780 T HN 0.397 nan 8.240 nan 0.000 0.448 781 I N 4.481 125.058 120.570 0.012 0.000 2.339 781 I HA 0.467 4.637 4.170 0.001 0.000 0.290 781 I C -0.377 175.749 176.117 0.014 0.000 0.994 781 I CA -0.565 60.748 61.300 0.022 0.000 1.191 781 I CB 1.086 39.100 38.000 0.023 0.000 1.343 781 I HN 0.460 nan 8.210 nan 0.000 0.458 782 I N 8.562 129.139 120.570 0.013 0.000 2.418 782 I HA 0.382 4.552 4.170 0.001 0.000 0.287 782 I C -2.375 173.739 176.117 -0.005 0.000 1.008 782 I CA -1.973 59.313 61.300 -0.023 0.000 1.104 782 I CB 2.047 40.008 38.000 -0.066 0.000 1.264 782 I HN 0.294 nan 8.210 nan 0.000 0.438 783 P HA 0.273 nan 4.420 nan 0.000 0.282 783 P C -0.041 177.343 177.300 0.139 0.000 1.249 783 P CA -0.314 62.860 63.100 0.124 0.000 0.806 783 P CB 2.024 33.879 31.700 0.258 0.000 0.984 784 L N 0.897 122.250 121.223 0.217 0.000 2.642 784 L HA 0.342 4.683 4.340 0.001 0.000 0.233 784 L C 1.098 178.251 176.870 0.471 0.000 1.077 784 L CA 0.605 55.596 54.840 0.251 0.000 0.879 784 L CB 0.145 42.340 42.059 0.226 0.000 1.151 784 L HN 0.356 nan 8.230 nan 0.000 0.495 785 M N -0.520 119.317 119.600 0.396 0.000 2.520 785 M HA 0.368 4.848 4.480 0.001 0.000 0.283 785 M C -1.227 175.041 176.300 -0.053 0.000 1.237 785 M CA -0.412 55.022 55.300 0.223 0.000 0.885 785 M CB 3.554 36.282 32.600 0.214 0.000 1.727 785 M HN -0.241 nan 8.290 nan 0.000 0.468 786 K N 2.116 122.311 120.400 -0.342 0.000 2.443 786 K HA 0.370 4.690 4.320 0.001 0.000 0.252 786 K C -1.176 175.157 176.600 -0.446 0.000 0.933 786 K CA -0.660 55.407 56.287 -0.366 0.000 0.792 786 K CB 2.330 34.333 32.500 -0.829 0.000 1.185 786 K HN 0.722 nan 8.250 nan 0.000 0.425 787 K N 3.261 123.282 120.400 -0.632 0.000 2.511 787 K HA -0.118 4.203 4.320 0.001 0.000 0.280 787 K C -0.571 175.235 176.600 -1.322 0.000 1.008 787 K CA 0.935 56.207 56.287 -1.691 0.000 1.050 787 K CB 0.230 31.814 32.500 -1.527 0.000 0.889 787 K HN 0.645 nan 8.250 nan 0.000 0.484 788 D N 1.112 120.454 120.400 -1.763 0.000 3.077 788 D HA -0.236 4.404 4.640 0.001 0.000 0.217 788 D C -0.200 175.874 176.300 -0.376 0.000 1.162 788 D CA 0.945 54.512 54.000 -0.722 0.000 0.943 788 D CB -1.245 39.303 40.800 -0.420 0.000 1.122 788 D HN 0.705 nan 8.370 nan 0.000 0.413 789 H N 1.027 119.823 119.070 -0.456 0.000 2.871 789 H HA 0.066 4.622 4.556 0.001 0.000 0.355 789 H C 1.719 177.005 175.328 -0.069 0.000 1.092 789 H CA 1.097 57.006 56.048 -0.231 0.000 1.420 789 H CB 0.724 30.335 29.762 -0.252 0.000 1.400 789 H HN 0.199 nan 8.280 nan 0.000 0.604 790 R N 2.088 122.468 120.500 -0.200 0.000 2.096 790 R HA -0.049 4.291 4.340 0.001 0.000 0.235 790 R C -0.061 176.364 176.300 0.208 0.000 1.127 790 R CA 1.368 57.469 56.100 0.002 0.000 0.968 790 R CB 0.245 30.501 30.300 -0.073 0.000 0.861 790 R HN 0.350 nan 8.270 nan 0.000 0.440 791 D N -0.352 120.358 120.400 0.517 0.000 2.328 791 D HA 0.142 4.783 4.640 0.001 0.000 0.243 791 D C -0.448 176.013 176.300 0.268 0.000 1.324 791 D CA -0.403 53.808 54.000 0.351 0.000 0.966 791 D CB 0.340 41.288 40.800 0.247 0.000 1.324 791 D HN -0.111 nan 8.370 nan 0.000 0.549 792 N N 1.909 120.701 118.700 0.153 0.000 2.443 792 N HA -0.111 4.629 4.740 0.001 0.000 0.184 792 N C 1.664 177.223 175.510 0.083 0.000 1.037 792 N CA 0.258 53.324 53.050 0.026 0.000 0.896 792 N CB 0.240 38.776 38.487 0.082 0.000 0.959 792 N HN 0.426 nan 8.380 nan 0.000 0.442 793 L N 1.763 123.031 121.223 0.075 0.000 2.093 793 L HA -0.084 4.257 4.340 0.001 0.000 0.208 793 L C 1.803 178.784 176.870 0.185 0.000 1.085 793 L CA 1.690 56.588 54.840 0.098 0.000 0.755 793 L CB -0.489 41.619 42.059 0.081 0.000 0.904 793 L HN 0.083 nan 8.230 nan 0.000 0.435 794 E N -1.382 118.917 120.200 0.165 0.000 2.072 794 E HA -0.239 4.112 4.350 0.001 0.000 0.191 794 E C 2.045 178.714 176.600 0.116 0.000 0.985 794 E CA 1.338 57.835 56.400 0.161 0.000 0.801 794 E CB -0.296 29.523 29.700 0.198 0.000 0.750 794 E HN 0.508 nan 8.360 nan 0.000 0.452 795 F N 0.574 120.450 119.950 -0.123 0.000 2.146 795 F HA -0.182 4.346 4.527 0.001 0.000 0.298 795 F C 1.983 177.744 175.800 -0.065 0.000 1.096 795 F CA 1.169 59.050 58.000 -0.198 0.000 1.275 795 F CB -0.139 38.536 39.000 -0.542 0.000 1.008 795 F HN -0.022 nan 8.300 nan 0.000 0.480 796 F N 0.458 120.402 119.950 -0.010 0.000 2.146 796 F HA -0.159 4.369 4.527 0.001 0.000 0.298 796 F C 1.843 177.560 175.800 -0.139 0.000 1.096 796 F CA 1.662 59.617 58.000 -0.075 0.000 1.275 796 F CB -0.514 38.450 39.000 -0.059 0.000 1.008 796 F HN -0.086 nan 8.300 nan 0.000 0.480 797 L N 0.055 121.263 121.223 -0.025 0.000 2.083 797 L HA -0.171 4.169 4.340 0.001 0.000 0.209 797 L C 2.825 179.507 176.870 -0.314 0.000 1.083 797 L CA 1.053 55.814 54.840 -0.131 0.000 0.752 797 L CB -1.213 40.897 42.059 0.084 0.000 0.899 797 L HN 0.264 nan 8.230 nan 0.000 0.433 798 A N 0.369 123.020 122.820 -0.282 0.000 1.940 798 A HA -0.145 4.176 4.320 0.001 0.000 0.219 798 A C 2.383 179.604 177.584 -0.605 0.000 1.176 798 A CA 1.796 53.608 52.037 -0.375 0.000 0.631 798 A CB -1.127 17.746 19.000 -0.212 0.000 0.814 798 A HN 0.454 nan 8.150 nan 0.000 0.446 799 G N -0.316 108.138 108.800 -0.576 0.000 2.403 799 G HA2 -0.063 3.897 3.960 0.001 0.000 0.216 799 G HA3 -0.063 3.897 3.960 0.001 0.000 0.216 799 G C 1.298 175.890 174.900 -0.514 0.000 1.154 799 G CA 0.957 45.738 45.100 -0.532 0.000 0.784 799 G HN 0.362 nan 8.290 nan 0.000 0.538 800 I N 2.010 122.219 120.570 -0.601 0.000 2.394 800 I HA -0.022 4.148 4.170 0.001 0.000 0.251 800 I C 2.915 178.788 176.117 -0.407 0.000 1.136 800 I CA 0.940 61.956 61.300 -0.472 0.000 1.425 800 I CB -1.418 36.304 38.000 -0.462 0.000 1.079 800 I HN 0.203 nan 8.210 nan 0.000 0.425 801 G N 0.596 108.993 108.800 -0.672 0.000 2.408 801 G HA2 -0.208 3.753 3.960 0.001 0.000 0.217 801 G HA3 -0.208 3.753 3.960 0.001 0.000 0.217 801 G C 1.905 176.408 174.900 -0.661 0.000 1.150 801 G CA 0.139 44.609 45.100 -1.049 0.000 0.776 801 G HN 0.270 nan 8.290 nan 0.000 0.542 802 R N -0.756 119.415 120.500 -0.549 0.000 2.092 802 R HA 0.051 4.391 4.340 0.001 0.000 0.231 802 R C 2.434 178.674 176.300 -0.100 0.000 1.119 802 R CA 0.625 56.623 56.100 -0.170 0.000 0.970 802 R CB -0.479 29.730 30.300 -0.151 0.000 0.864 802 R HN 0.340 nan 8.270 nan 0.000 0.440 803 L N 0.420 121.559 121.223 -0.141 0.000 2.012 803 L HA -0.216 4.124 4.340 0.001 0.000 0.210 803 L C 2.245 179.105 176.870 -0.018 0.000 1.073 803 L CA 2.039 56.837 54.840 -0.070 0.000 0.748 803 L CB -0.896 41.111 42.059 -0.086 0.000 0.891 803 L HN 0.178 nan 8.230 nan 0.000 0.431 804 H N -0.718 118.297 119.070 -0.091 0.000 2.289 804 H HA -0.196 4.360 4.556 0.001 0.000 0.296 804 H C 2.133 177.461 175.328 0.001 0.000 1.091 804 H CA 2.429 58.455 56.048 -0.036 0.000 1.274 804 H CB -0.323 29.423 29.762 -0.027 0.000 1.364 804 H HN 0.361 nan 8.280 nan 0.000 0.490 805 L N -0.032 121.168 121.223 -0.039 0.000 2.127 805 L HA -0.167 4.173 4.340 0.001 0.000 0.211 805 L C 2.537 179.346 176.870 -0.102 0.000 1.089 805 L CA 1.515 56.322 54.840 -0.056 0.000 0.757 805 L CB -0.678 41.429 42.059 0.080 0.000 0.899 805 L HN 0.457 nan 8.230 nan 0.000 0.434 806 S N -0.773 114.881 115.700 -0.076 0.000 2.561 806 S HA 0.076 4.546 4.470 0.001 0.000 0.225 806 S C 1.530 176.077 174.600 -0.089 0.000 0.977 806 S CA 0.573 58.734 58.200 -0.064 0.000 0.926 806 S CB 0.320 63.503 63.200 -0.030 0.000 0.769 806 S HN 0.587 nan 8.310 nan 0.000 0.533 807 G N 0.526 109.244 108.800 -0.137 0.000 2.179 807 G HA2 -0.147 3.813 3.960 0.001 0.000 0.220 807 G HA3 -0.147 3.813 3.960 0.001 0.000 0.220 807 G C -0.084 174.772 174.900 -0.074 0.000 0.990 807 G CA -0.026 44.998 45.100 -0.128 0.000 0.646 807 G HN 0.461 nan 8.290 nan 0.000 0.517 808 I N 1.483 122.028 120.570 -0.043 0.000 2.440 808 I HA 0.403 4.574 4.170 0.001 0.000 0.294 808 I C -0.433 175.707 176.117 0.038 0.000 0.995 808 I CA -0.977 60.325 61.300 0.002 0.000 1.306 808 I CB 1.186 39.198 38.000 0.020 0.000 1.407 808 I HN -0.084 nan 8.210 nan 0.000 0.501 809 D N 5.098 125.527 120.400 0.049 0.000 2.280 809 D HA 0.582 5.223 4.640 0.001 0.000 0.243 809 D C -0.214 176.124 176.300 0.064 0.000 1.129 809 D CA 0.068 54.117 54.000 0.081 0.000 0.848 809 D CB 1.592 42.429 40.800 0.062 0.000 1.107 809 D HN 0.649 nan 8.370 nan 0.000 0.471 810 A N 2.932 125.792 122.820 0.067 0.000 2.547 810 A HA 0.260 4.580 4.320 0.001 0.000 0.279 810 A C -0.672 176.921 177.584 0.015 0.000 1.088 810 A CA -0.879 51.178 52.037 0.034 0.000 0.796 810 A CB 0.727 19.734 19.000 0.012 0.000 1.308 810 A HN 0.320 nan 8.150 nan 0.000 0.415 811 N N 4.220 122.933 118.700 0.021 0.000 2.408 811 N HA 0.285 5.026 4.740 0.001 0.000 0.257 811 N C -1.595 173.938 175.510 0.039 0.000 1.064 811 N CA -1.986 51.073 53.050 0.016 0.000 0.952 811 N CB 1.485 39.987 38.487 0.025 0.000 1.093 811 N HN 0.343 nan 8.380 nan 0.000 0.490 812 P HA -0.026 nan 4.420 nan 0.000 0.230 812 P C 0.508 177.936 177.300 0.213 0.000 1.158 812 P CA 0.520 63.695 63.100 0.125 0.000 0.769 812 P CB 0.542 32.323 31.700 0.136 0.000 0.807 813 N N 1.279 120.070 118.700 0.151 0.000 2.104 813 N HA -0.144 4.596 4.740 0.001 0.000 0.190 813 N C 1.860 177.466 175.510 0.159 0.000 1.024 813 N CA 1.701 54.856 53.050 0.174 0.000 0.853 813 N CB -1.055 37.497 38.487 0.108 0.000 1.008 813 N HN 0.119 nan 8.380 nan 0.000 0.424 814 A N 0.414 123.289 122.820 0.091 0.000 2.125 814 A HA -0.045 4.275 4.320 0.001 0.000 0.219 814 A C 2.154 179.729 177.584 -0.015 0.000 1.156 814 A CA 0.784 52.846 52.037 0.042 0.000 0.671 814 A CB -0.559 18.461 19.000 0.032 0.000 0.794 814 A HN 0.264 nan 8.150 nan 0.000 0.459 815 L N -2.177 119.006 121.223 -0.067 0.000 2.341 815 L HA 0.127 4.467 4.340 0.001 0.000 0.214 815 L C 0.203 176.721 176.870 -0.587 0.000 1.115 815 L CA 0.100 54.733 54.840 -0.345 0.000 0.820 815 L CB -0.138 41.608 42.059 -0.521 0.000 0.944 815 L HN 0.313 nan 8.230 nan 0.000 0.452 816 F N -1.120 118.820 119.950 -0.015 0.000 2.594 816 F HA 0.481 5.008 4.527 0.001 0.000 0.335 816 F C -2.001 173.719 175.800 -0.134 0.000 1.058 816 F CA -2.933 55.023 58.000 -0.072 0.000 0.981 816 F CB -0.159 38.808 39.000 -0.054 0.000 1.289 816 F HN -0.389 nan 8.300 nan 0.000 0.490 817 P HA 0.133 nan 4.420 nan 0.000 0.266 817 P C -2.538 174.708 177.300 -0.090 0.000 1.195 817 P CA -0.710 62.290 63.100 -0.166 0.000 0.768 817 P CB -0.273 31.172 31.700 -0.425 0.000 0.838 818 P HA 0.014 nan 4.420 nan 0.000 0.267 818 P C -0.469 176.806 177.300 -0.042 0.000 1.205 818 P CA 0.098 63.196 63.100 -0.002 0.000 0.765 818 P CB 0.264 31.974 31.700 0.016 0.000 0.828 819 V N 3.269 123.143 119.914 -0.067 0.000 2.715 819 V HA 0.037 4.158 4.120 0.001 0.000 0.299 819 V C 0.897 176.778 176.094 -0.355 0.000 1.054 819 V CA 0.047 62.208 62.300 -0.232 0.000 1.077 819 V CB 0.476 32.088 31.823 -0.352 0.000 0.972 819 V HN 0.519 nan 8.190 nan 0.000 0.484 820 E N 2.465 122.455 120.200 -0.350 0.000 2.313 820 E HA 0.471 4.821 4.350 0.001 0.000 0.276 820 E C -1.136 175.171 176.600 -0.489 0.000 1.031 820 E CA 0.050 56.286 56.400 -0.273 0.000 0.857 820 E CB 0.695 30.314 29.700 -0.135 0.000 1.040 820 E HN 0.406 nan 8.360 nan 0.000 0.408 821 F N 3.353 123.298 119.950 -0.007 0.000 2.561 821 F HA 0.446 4.973 4.527 0.001 0.000 0.321 821 F C -1.661 174.127 175.800 -0.019 0.000 1.065 821 F CA -2.147 55.843 58.000 -0.017 0.000 0.934 821 F CB 1.083 40.072 39.000 -0.018 0.000 1.215 821 F HN 0.377 nan 8.300 nan 0.000 0.471 822 P HA 0.354 nan 4.420 nan 0.000 0.274 822 P C -0.882 176.515 177.300 0.162 0.000 1.231 822 P CA -0.436 62.795 63.100 0.218 0.000 0.790 822 P CB 0.734 32.482 31.700 0.079 0.000 0.951 823 A N 3.753 126.729 122.820 0.260 0.000 2.492 823 A HA 0.329 4.649 4.320 0.001 0.000 0.236 823 A C -2.040 175.537 177.584 -0.011 0.000 1.078 823 A CA -0.791 51.306 52.037 0.099 0.000 0.773 823 A CB -1.504 17.590 19.000 0.158 0.000 1.023 823 A HN 0.432 nan 8.150 nan 0.000 0.504 824 P HA 0.146 nan 4.420 nan 0.000 0.272 824 P C -0.050 177.196 177.300 -0.090 0.000 1.230 824 P CA -0.328 62.731 63.100 -0.068 0.000 0.788 824 P CB 0.406 32.060 31.700 -0.076 0.000 0.949 825 R N 1.386 121.831 120.500 -0.092 0.000 2.679 825 R HA 0.271 4.611 4.340 0.001 0.000 0.268 825 R C 1.070 177.283 176.300 -0.145 0.000 1.044 825 R CA 1.155 57.187 56.100 -0.113 0.000 1.105 825 R CB -0.749 29.490 30.300 -0.101 0.000 0.989 825 R HN 0.811 nan 8.270 nan 0.000 0.447 826 G N 2.018 110.706 108.800 -0.186 0.000 2.195 826 G HA2 -0.265 3.696 3.960 0.001 0.000 0.246 826 G HA3 -0.265 3.696 3.960 0.001 0.000 0.246 826 G C 0.119 174.864 174.900 -0.258 0.000 0.984 826 G CA 0.343 45.298 45.100 -0.242 0.000 0.633 826 G HN 0.682 nan 8.290 nan 0.000 0.525 827 T N 3.785 118.213 114.554 -0.211 0.000 2.866 827 T HA 0.393 4.743 4.350 0.001 0.000 0.293 827 T C -1.704 172.815 174.700 -0.303 0.000 1.005 827 T CA 0.204 62.172 62.100 -0.219 0.000 1.162 827 T CB 0.962 69.775 68.868 -0.092 0.000 0.968 827 T HN 0.200 nan 8.240 nan 0.000 0.530 828 P HA 0.058 nan 4.420 nan 0.000 0.266 828 P C 0.080 177.249 177.300 -0.218 0.000 1.193 828 P CA -0.168 62.565 63.100 -0.611 0.000 0.770 828 P CB 0.342 31.224 31.700 -1.363 0.000 0.836 829 L N 2.934 124.109 121.223 -0.080 0.000 2.483 829 L HA 0.084 4.425 4.340 0.001 0.000 0.276 829 L C 1.684 178.664 176.870 0.184 0.000 1.213 829 L CA 0.287 55.184 54.840 0.096 0.000 0.843 829 L CB -0.051 42.077 42.059 0.115 0.000 1.107 829 L HN 0.434 nan 8.230 nan 0.000 0.487 830 I N 0.047 120.745 120.570 0.213 0.000 3.718 830 I HA -0.125 4.045 4.170 0.001 0.000 0.297 830 I C 2.351 178.571 176.117 0.171 0.000 1.220 830 I CA 0.735 62.164 61.300 0.214 0.000 1.381 830 I CB 0.313 38.413 38.000 0.166 0.000 1.238 830 I HN 0.869 nan 8.210 nan 0.000 0.448 831 S N 2.112 117.919 115.700 0.178 0.000 2.387 831 S HA -0.108 4.362 4.470 0.001 0.000 0.230 831 S C -0.634 174.075 174.600 0.182 0.000 1.035 831 S CA 1.193 59.506 58.200 0.188 0.000 1.014 831 S CB -2.032 61.287 63.200 0.198 0.000 0.836 831 S HN 0.234 nan 8.310 nan 0.000 0.466 832 P HA 0.164 nan 4.420 nan 0.000 0.237 832 P C 0.959 178.339 177.300 0.132 0.000 1.178 832 P CA 0.580 63.776 63.100 0.161 0.000 0.766 832 P CB -0.173 31.624 31.700 0.161 0.000 0.876 833 L N -1.603 119.693 121.223 0.121 0.000 2.558 833 L HA 0.097 4.438 4.340 0.001 0.000 0.225 833 L C 0.681 177.560 176.870 0.015 0.000 1.128 833 L CA -0.084 54.807 54.840 0.085 0.000 0.868 833 L CB -0.237 41.891 42.059 0.116 0.000 1.006 833 L HN -0.082 nan 8.230 nan 0.000 0.454 834 I N 1.648 122.223 120.570 0.008 0.000 2.396 834 I HA 0.159 4.330 4.170 0.001 0.000 0.289 834 I C 0.197 176.160 176.117 -0.257 0.000 1.056 834 I CA 0.280 61.492 61.300 -0.146 0.000 1.365 834 I CB 0.579 38.530 38.000 -0.081 0.000 1.407 834 I HN 0.013 nan 8.210 nan 0.000 0.509 835 K N 5.458 125.594 120.400 -0.440 0.000 2.318 835 K HA 0.514 4.835 4.320 0.001 0.000 0.249 835 K C -1.033 175.140 176.600 -0.711 0.000 0.942 835 K CA -0.513 55.543 56.287 -0.385 0.000 0.808 835 K CB 2.510 34.887 32.500 -0.205 0.000 1.189 835 K HN 0.411 nan 8.250 nan 0.000 0.428 836 W N -0.055 121.027 121.300 -0.363 0.000 2.804 836 W HA 0.231 4.891 4.660 0.001 0.000 0.352 836 W C 0.150 176.427 176.519 -0.403 0.000 1.153 836 W CA -0.513 56.548 57.345 -0.472 0.000 1.119 836 W CB 0.612 29.647 29.460 -0.709 0.000 1.448 836 W HN 0.411 nan 8.180 nan 0.000 0.600 837 D N 0.683 121.103 120.400 0.033 0.000 2.453 837 D HA 0.070 4.710 4.640 0.001 0.000 0.223 837 D C -0.382 176.036 176.300 0.197 0.000 1.183 837 D CA 0.221 54.261 54.000 0.067 0.000 0.933 837 D CB -0.142 40.715 40.800 0.096 0.000 1.038 837 D HN 0.481 nan 8.370 nan 0.000 0.513 838 H N 1.378 120.535 119.070 0.144 0.000 2.539 838 H HA 0.093 4.649 4.556 0.001 0.000 0.293 838 H C 1.598 176.967 175.328 0.069 0.000 1.156 838 H CA -0.278 55.851 56.048 0.135 0.000 1.012 838 H CB 0.704 30.557 29.762 0.151 0.000 1.600 838 H HN 0.327 nan 8.280 nan 0.000 0.538 839 S N -0.009 115.782 115.700 0.151 0.000 2.395 839 S HA -0.008 4.462 4.470 0.001 0.000 0.225 839 S C 0.885 175.468 174.600 -0.030 0.000 1.027 839 S CA 0.106 58.337 58.200 0.052 0.000 0.965 839 S CB 0.107 63.324 63.200 0.029 0.000 0.812 839 S HN 0.234 nan 8.310 nan 0.000 0.482 840 L N 1.762 122.933 121.223 -0.087 0.000 2.436 840 L HA 0.595 4.935 4.340 0.001 0.000 0.265 840 L C 0.244 176.859 176.870 -0.426 0.000 1.168 840 L CA -0.531 54.102 54.840 -0.345 0.000 0.815 840 L CB 0.790 42.465 42.059 -0.641 0.000 1.109 840 L HN 0.313 nan 8.230 nan 0.000 0.462 841 A N 2.213 124.742 122.820 -0.485 0.000 2.291 841 A HA 0.540 4.860 4.320 0.001 0.000 0.311 841 A C -1.403 175.961 177.584 -0.367 0.000 1.224 841 A CA -0.477 51.379 52.037 -0.302 0.000 0.821 841 A CB 0.259 19.184 19.000 -0.124 0.000 1.172 841 A HN 0.643 nan 8.150 nan 0.000 0.494 842 W N 1.010 122.342 121.300 0.054 0.000 2.359 842 W HA 0.414 5.075 4.660 0.001 0.000 0.344 842 W C -0.254 176.382 176.519 0.196 0.000 1.170 842 W CA -0.311 57.071 57.345 0.061 0.000 1.296 842 W CB 0.645 30.063 29.460 -0.070 0.000 1.197 842 W HN 0.563 nan 8.180 nan 0.000 0.618 843 D N 0.958 121.774 120.400 0.694 0.000 2.488 843 D HA 0.180 4.821 4.640 0.001 0.000 0.238 843 D C -0.484 175.953 176.300 0.229 0.000 1.138 843 D CA 0.530 54.747 54.000 0.361 0.000 0.873 843 D CB 0.691 41.673 40.800 0.303 0.000 1.183 843 D HN -0.054 nan 8.370 nan 0.000 0.458 844 V N 3.871 123.871 119.914 0.143 0.000 2.686 844 V HA 0.319 4.439 4.120 0.001 0.000 0.306 844 V C -2.134 174.013 176.094 0.088 0.000 1.065 844 V CA -1.538 60.827 62.300 0.109 0.000 0.894 844 V CB 2.005 33.885 31.823 0.095 0.000 1.004 844 V HN 0.447 nan 8.190 nan 0.000 0.424 845 P HA 0.465 nan 4.420 nan 0.000 0.269 845 P C -0.596 176.764 177.300 0.100 0.000 1.215 845 P CA 0.006 63.136 63.100 0.049 0.000 0.780 845 P CB 0.643 32.377 31.700 0.056 0.000 0.898 846 A N 1.554 124.398 122.820 0.040 0.000 2.294 846 A HA 0.600 4.921 4.320 0.001 0.000 0.330 846 A C 1.426 179.122 177.584 0.187 0.000 1.133 846 A CA -0.011 52.090 52.037 0.106 0.000 0.836 846 A CB 0.723 19.755 19.000 0.053 0.000 1.190 846 A HN 0.520 nan 8.150 nan 0.000 0.492 847 A N 0.384 123.377 122.820 0.289 0.000 1.948 847 A HA -0.201 4.119 4.320 0.001 0.000 0.220 847 A C 1.653 179.411 177.584 0.290 0.000 1.177 847 A CA 2.056 54.330 52.037 0.394 0.000 0.636 847 A CB -0.790 18.422 19.000 0.354 0.000 0.815 847 A HN 0.961 nan 8.150 nan 0.000 0.449 848 E N -0.643 119.639 120.200 0.137 0.000 2.478 848 E HA -0.124 4.226 4.350 0.001 0.000 0.198 848 E C 0.197 176.783 176.600 -0.024 0.000 1.046 848 E CA 0.833 57.275 56.400 0.069 0.000 0.870 848 E CB -0.263 29.461 29.700 0.039 0.000 0.818 848 E HN 0.450 nan 8.360 nan 0.000 0.527 849 D N 0.200 120.500 120.400 -0.166 0.000 2.363 849 D HA 0.056 4.696 4.640 0.001 0.000 0.226 849 D C -0.454 175.513 176.300 -0.555 0.000 1.020 849 D CA 0.467 54.235 54.000 -0.388 0.000 0.892 849 D CB -0.012 40.474 40.800 -0.522 0.000 0.900 849 D HN 0.132 nan 8.370 nan 0.000 0.531 850 F N 0.389 120.358 119.950 0.032 0.000 2.470 850 F HA 0.392 4.919 4.527 0.001 0.000 0.329 850 F C -1.762 174.046 175.800 0.013 0.000 1.072 850 F CA -2.887 55.125 58.000 0.020 0.000 0.989 850 F CB 0.319 39.331 39.000 0.021 0.000 1.193 850 F HN -0.337 nan 8.300 nan 0.000 0.481 851 P HA 0.127 nan 4.420 nan 0.000 0.266 851 P C -1.013 176.337 177.300 0.084 0.000 1.195 851 P CA -0.127 63.028 63.100 0.091 0.000 0.768 851 P CB 0.385 32.120 31.700 0.058 0.000 0.838 852 N N 0.000 118.735 118.700 0.059 0.000 1.763 852 N HA 0.000 4.740 4.740 0.001 0.000 0.220 852 N CA 0.000 53.085 53.050 0.058 0.000 0.885 852 N CB 0.000 38.575 38.487 0.147 0.000 1.341 852 N HN 0.000 nan 8.380 nan 0.000 0.667