*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-OCT-04 1XPV *TITLE SOLUTION STRUCTURE OF NORTHEAST STRUCTURAL GENOMICS TARGET *TITLE 2 PROTEIN XCR50 FROM X. CAMPESTRIS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN XCC2852; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA *KEYWDS ALPHA+BETA, GFT NMR, STRUCTURAL GENOMICS, NESGC, XCR50, *KEYWDS 2 PROTEIN STRUCTURE INITIATIVE *EXPDTA NMR, 20 STRUCTURES *AUTHOR S.YING, T.ACTON, G.LIU, L.MA, Y.SHEN, R.XIAO, *AUTHOR 2 G.T.MONTELIONE, T.SZYPERSKI, NORTHEAST CENTER FOR *AUTHOR 3 STRUCTURAL GENOMICS *REVDAT 2 01-SEP-10 1XPV 1 *REVDAT 1 14-DEC-04 1XPV 0 1 MET HG2 2 ALA HN 6.00 1 MET HG3 2 ALA HN 6.00 2 ALA HN 3 LEU HN 4.70 2 ALA HA 3 LEU HN 3.37 2 ALA QB 29 PHE HN 6.16 2 ALA QB 29 PHE HA 4.00 2 ALA QB 30 PHE HN 4.83 2 ALA QB 30 PHE QD 6.31 2 ALA QB 30 PHE QE 6.99 2 ALA QB 30 PHE HZ 5.84 3 LEU HN 3 LEU HB2 3.73 3 LEU HN 3 LEU HB3 3.73 3 LEU HN 3 LEU QB 3.27 3 LEU HN 3 LEU HG 3.44 3 LEU HN 3 LEU QD1 5.41 3 LEU HN 3 LEU QD2 5.41 3 LEU HN 3 LEU QQD 4.57 3 LEU HN 4 THR HN 6.00 3 LEU HN 29 PHE HA 3.30 3 LEU HN 29 PHE HB2 5.50 3 LEU HN 29 PHE HB3 4.78 3 LEU HA 3 LEU QD1 6.56 3 LEU HA 3 LEU QD2 6.56 3 LEU HA 4 THR HN 2.69 3 LEU HA 53 ASP HA 3.01 3 LEU HB2 4 THR HN 3.48 3 LEU HB2 51 LEU QD1 8.19 3 LEU HB2 51 LEU QD2 8.19 3 LEU HB3 4 THR HN 3.48 3 LEU HB3 51 LEU QD1 8.19 3 LEU HB3 51 LEU QD2 8.19 3 LEU QB 4 THR HN 3.28 3 LEU QB 29 PHE HA 6.45 3 LEU QB 29 PHE HB2 6.16 3 LEU QB 29 PHE HB3 4.94 3 LEU QB 30 PHE HN 5.48 3 LEU QB 51 LEU QQD 6.40 3 LEU QB 53 ASP HA 6.88 3 LEU QB 53 ASP QB 7.75 3 LEU HG 4 THR HN 4.85 3 LEU HG 51 LEU QQD 8.27 3 LEU QD1 4 THR HN 5.44 3 LEU QD1 21 LEU QD1 8.06 3 LEU QD1 21 LEU QD2 8.06 3 LEU QD1 26 ALA QB 6.58 3 LEU QD1 51 LEU QD1 6.33 3 LEU QD1 51 LEU QD2 6.33 3 LEU QD1 53 ASP HB2 7.72 3 LEU QD1 53 ASP HB3 7.72 3 LEU QD1 54 PRO HD2 7.72 3 LEU QD1 54 PRO HD3 7.72 3 LEU QD1 71 TRP HZ3 5.19 3 LEU QD2 4 THR HN 5.44 3 LEU QD2 21 LEU QD1 8.06 3 LEU QD2 21 LEU QD2 8.06 3 LEU QD2 26 ALA QB 6.58 3 LEU QD2 51 LEU QD1 6.33 3 LEU QD2 51 LEU QD2 6.33 3 LEU QD2 53 ASP HB2 7.72 3 LEU QD2 53 ASP HB3 7.72 3 LEU QD2 54 PRO HD2 7.72 3 LEU QD2 54 PRO HD3 7.72 3 LEU QD2 71 TRP HZ3 5.19 3 LEU QQD 4 THR HN 4.63 3 LEU QQD 5 LEU QB 7.46 3 LEU QQD 21 LEU HG 7.84 3 LEU QQD 21 LEU QD1 7.12 3 LEU QQD 21 LEU QD2 7.27 3 LEU QQD 26 ALA QB 5.94 3 LEU QQD 27 GLY HN 8.49 3 LEU QQD 29 PHE HB2 8.60 3 LEU QQD 29 PHE HB3 8.60 3 LEU QQD 51 LEU QQD 5.71 3 LEU QQD 53 ASP HN 8.45 3 LEU QQD 53 ASP HA 5.00 3 LEU QQD 53 ASP QB 5.79 3 LEU QQD 54 PRO QD 6.00 3 LEU QQD 71 TRP HZ3 4.16 3 LEU QQD 71 TRP HH2 5.83 4 THR HN 4 THR HB 3.05 4 THR HN 5 LEU HN 4.60 4 THR HN 51 LEU QD1 7.03 4 THR HN 51 LEU QD2 7.03 4 THR HN 52 ARG HN 3.73 4 THR HN 53 ASP HA 4.31 4 THR HA 5 LEU HN 3.01 4 THR HA 30 PHE HN 3.52 4 THR HA 30 PHE HB3 5.24 4 THR HB 5 LEU HN 4.81 4 THR HB 52 ARG HN 4.70 4 THR HB 52 ARG HB2 4.56 4 THR HB 52 ARG HB3 4.56 4 THR HB 52 ARG QB 4.36 4 THR QG2 5 LEU HN 4.80 4 THR QG2 6 TYR HN 6.60 4 THR QG2 6 TYR QD 9.13 4 THR QG2 6 TYR QE 8.15 4 THR QG2 30 PHE HN 5.91 4 THR QG2 30 PHE HB2 6.06 4 THR QG2 30 PHE HB3 6.16 4 THR QG2 30 PHE QE 9.15 4 THR QG2 32 VAL HN 4.80 4 THR QG2 32 VAL HB 4.76 4 THR QG2 32 VAL QG1 6.98 4 THR QG2 32 VAL QG2 5.28 4 THR QG2 52 ARG HN 7.03 4 THR QG2 52 ARG QB 7.04 5 LEU HN 5 LEU QB 3.72 5 LEU HN 5 LEU HG 5.50 5 LEU HN 5 LEU QD1 5.44 5 LEU HN 5 LEU QD2 5.05 5 LEU HN 6 TYR HN 6.00 5 LEU HN 29 PHE QD 7.73 5 LEU HN 29 PHE QE 8.12 5 LEU HN 30 PHE HB2 6.00 5 LEU HN 30 PHE HB3 5.93 5 LEU HN 31 SER HA 3.84 5 LEU HN 32 VAL HN 4.34 5 LEU HN 32 VAL QG2 7.03 5 LEU HA 5 LEU QD1 4.62 5 LEU HA 5 LEU QD2 5.80 5 LEU HA 6 TYR HN 3.41 5 LEU HA 51 LEU HA 4.60 5 LEU HA 51 LEU QD1 5.95 5 LEU HA 51 LEU QD2 5.95 5 LEU HA 51 LEU QQD 5.32 5 LEU HA 52 ARG HN 3.84 5 LEU QB 6 TYR HN 5.40 5 LEU QB 29 PHE QD 9.00 5 LEU QB 32 VAL HN 5.91 5 LEU QB 51 LEU QQD 9.48 5 LEU HG 6 TYR HN 4.67 5 LEU HG 7 GLN HN 6.00 5 LEU HG 7 GLN QB 5.19 5 LEU QD1 6 TYR HN 4.83 5 LEU QD1 7 GLN HN 7.03 5 LEU QD1 7 GLN QB 6.83 5 LEU QD1 17 ALA QB 5.93 5 LEU QD1 18 VAL HA 7.03 5 LEU QD1 18 VAL QG1 8.06 5 LEU QD1 18 VAL QG2 5.97 5 LEU QD1 21 LEU QD1 5.57 5 LEU QD1 29 PHE QD 9.15 5 LEU QD1 49 PRO HA 5.98 5 LEU QD1 49 PRO HB2 4.87 5 LEU QD1 49 PRO HB3 4.87 5 LEU QD1 49 PRO QB 4.70 5 LEU QD1 50 VAL HN 5.23 5 LEU QD1 51 LEU HN 5.62 5 LEU QD1 51 LEU HA 4.62 5 LEU QD1 51 LEU QQD 7.50 5 LEU QD1 52 ARG HN 7.03 5 LEU QD1 63 PHE QE 8.50 5 LEU QD1 63 PHE HZ 4.33 5 LEU QD2 6 TYR HN 6.02 5 LEU QD2 7 GLN QB 5.82 5 LEU QD2 7 GLN QG 6.86 5 LEU QD2 17 ALA QB 6.76 5 LEU QD2 18 VAL HN 5.77 5 LEU QD2 18 VAL HA 4.98 5 LEU QD2 18 VAL HB 7.03 5 LEU QD2 18 VAL QG2 5.14 5 LEU QD2 21 LEU QD1 6.90 5 LEU QD2 29 PHE QD 9.15 5 LEU QD2 29 PHE QE 7.53 5 LEU QD2 29 PHE HZ 5.80 5 LEU QD2 49 PRO HA 7.03 5 LEU QD2 50 VAL HN 7.03 6 TYR HN 6 TYR HB2 4.16 6 TYR HN 7 GLN HN 5.39 6 TYR HN 50 VAL HN 4.70 6 TYR HN 50 VAL HB 5.60 6 TYR HN 50 VAL QG2 7.03 6 TYR HN 51 LEU HA 4.88 6 TYR HA 6 TYR HB3 3.01 6 TYR HA 7 GLN HN 2.40 6 TYR HA 32 VAL HN 3.55 6 TYR HB2 7 GLN HN 4.49 6 TYR HB2 34 ILE QG2 5.62 6 TYR HB2 34 ILE QD1 7.03 6 TYR HB2 48 VAL QQG 6.82 6 TYR HB2 50 VAL HN 4.92 6 TYR HB2 50 VAL HB 3.77 6 TYR HB2 50 VAL QG1 5.91 6 TYR HB2 50 VAL QG2 5.30 6 TYR HB3 7 GLN HN 3.91 6 TYR HB3 34 ILE QG2 4.47 6 TYR HB3 48 VAL QQG 5.78 6 TYR HB3 50 VAL HN 5.57 6 TYR HB3 50 VAL HB 4.74 6 TYR QD 7 GLN HN 5.94 6 TYR QD 32 VAL HB 7.06 6 TYR QD 32 VAL QG1 6.54 6 TYR QD 32 VAL QG2 9.17 6 TYR QD 34 ILE HA 8.00 6 TYR QD 34 ILE QG2 6.83 6 TYR QD 40 LEU QD1 9.17 6 TYR QD 40 LEU QD2 9.17 6 TYR QD 40 LEU QQD 8.68 6 TYR QD 44 TYR QD 9.13 6 TYR QD 48 VAL QQG 10.04 6 TYR QD 50 VAL HB 6.99 6 TYR QD 50 VAL QG1 7.91 6 TYR QD 50 VAL QG2 9.17 6 TYR QE 32 VAL HB 8.13 6 TYR QE 32 VAL QG1 6.78 6 TYR QE 32 VAL QG2 8.33 6 TYR QE 34 ILE QG2 9.16 6 TYR QE 40 LEU QD1 8.22 6 TYR QE 40 LEU QD2 8.22 6 TYR QE 40 LEU QQD 7.62 6 TYR QE 50 VAL QG1 9.09 6 TYR QE 52 ARG HB2 7.20 6 TYR QE 52 ARG HB3 7.20 6 TYR QE 52 ARG QB 7.09 6 TYR QE 52 ARG HD2 6.33 6 TYR QE 52 ARG HD3 7.63 7 GLN HN 7 GLN QB 3.73 7 GLN HN 7 GLN HG2 4.27 7 GLN HN 7 GLN HG3 4.27 7 GLN HN 7 GLN QG 4.09 7 GLN HN 32 VAL HN 3.88 7 GLN HN 32 VAL HB 5.21 7 GLN HN 32 VAL QG1 5.84 7 GLN HN 32 VAL QG2 6.56 7 GLN HN 33 PHE HN 5.24 7 GLN HN 33 PHE HA 5.35 7 GLN HN 34 ILE HN 4.67 7 GLN HN 34 ILE QG2 4.11 7 GLN HN 34 ILE QG1 6.88 7 GLN HA 48 VAL HB 4.74 7 GLN HA 48 VAL QG1 5.44 7 GLN HA 48 VAL QG2 5.44 7 GLN HA 48 VAL QQG 4.98 7 GLN HA 50 VAL HN 6.00 7 GLN QB 32 VAL HN 6.88 7 GLN QB 49 PRO HA 6.88 8 ARG HA 9 ASP HN 2.90 8 ARG HA 33 PHE QD 8.09 8 ARG HA 34 ILE HN 4.31 8 ARG HA 35 ASP HN 4.74 8 ARG HB2 9 ASP HN 4.49 8 ARG HB2 48 VAL QG1 10.15 8 ARG HB2 48 VAL QG2 10.15 8 ARG HB3 9 ASP HN 4.49 8 ARG HB3 48 VAL QG1 10.15 8 ARG HB3 48 VAL QG2 10.15 8 ARG QB 9 ASP HN 4.29 8 ARG QB 48 VAL QQG 8.09 8 ARG HG2 48 VAL QG1 10.15 8 ARG HG2 48 VAL QG2 10.15 8 ARG HG3 48 VAL QG1 10.15 8 ARG HG3 48 VAL QG2 10.15 8 ARG QG 34 ILE QG1 7.10 8 ARG QG 48 VAL QQG 8.28 8 ARG HD2 48 VAL QG1 9.68 8 ARG HD2 48 VAL QG2 9.68 8 ARG HD3 48 VAL QG1 9.68 8 ARG HD3 48 VAL QG2 9.68 8 ARG QD 48 VAL QQG 7.87 9 ASP HN 9 ASP QB 3.59 10 ASP HN 10 ASP HB2 3.23 10 ASP HN 10 ASP HB3 3.80 10 ASP HN 11 CYS HN 4.49 10 ASP HA 10 ASP HB2 2.83 10 ASP HA 11 CYS HN 2.80 10 ASP HB2 11 CYS HN 5.68 10 ASP HB3 11 CYS HN 4.88 13 LEU HN 13 LEU HG 5.24 13 LEU HN 13 LEU QD1 5.77 13 LEU HN 13 LEU QD2 7.03 13 LEU HN 14 CYS HN 4.49 13 LEU HA 13 LEU QD1 3.90 13 LEU HA 13 LEU QD2 6.31 13 LEU HA 16 GLN HN 4.49 13 LEU HA 16 GLN HG3 6.00 13 LEU HA 16 GLN QE2 5.90 13 LEU HG 14 CYS HN 6.00 13 LEU QD1 14 CYS HN 7.03 13 LEU QD1 16 GLN HE21 6.56 13 LEU QD1 16 GLN HE22 6.56 13 LEU QD1 16 GLN QE2 6.32 13 LEU QD1 61 TRP HD1 5.26 13 LEU QD1 61 TRP HE1 3.61 13 LEU QD1 61 TRP HZ2 5.05 13 LEU QD2 14 CYS HN 7.03 13 LEU QD2 49 PRO HD2 5.77 13 LEU QD2 49 PRO HD3 5.77 13 LEU QD2 49 PRO QD 5.63 13 LEU QD2 61 TRP HD1 5.30 13 LEU QD2 61 TRP HE1 5.37 14 CYS HN 15 ASP HN 3.98 14 CYS HA 17 ALA HN 4.34 14 CYS HA 17 ALA QB 3.79 14 CYS HA 18 VAL QG2 5.48 14 CYS HA 49 PRO HB2 6.00 14 CYS HA 49 PRO HB3 6.00 14 CYS HA 49 PRO QB 5.35 14 CYS HA 49 PRO QG 5.30 14 CYS HB2 15 ASP HN 4.63 14 CYS HB3 15 ASP HN 4.63 14 CYS QB 15 ASP HN 4.11 14 CYS QB 17 ALA QB 7.26 15 ASP HN 15 ASP HB2 3.84 15 ASP HN 15 ASP HB3 3.84 15 ASP HN 15 ASP QB 3.49 15 ASP HN 16 GLN HN 3.34 15 ASP HN 17 ALA HN 4.92 15 ASP HN 18 VAL HN 6.00 15 ASP HA 18 VAL HN 3.70 15 ASP HA 18 VAL HB 3.55 15 ASP HA 18 VAL QG1 7.03 15 ASP HA 18 VAL QG2 4.58 15 ASP HB2 16 GLN HN 3.73 15 ASP HB3 16 GLN HN 3.73 15 ASP QB 16 GLN HA 4.83 15 ASP QB 16 GLN HG2 6.88 15 ASP QB 16 GLN HG3 6.56 16 GLN HN 16 GLN HB2 3.80 16 GLN HN 16 GLN HB3 3.80 16 GLN HN 16 GLN QB 3.57 16 GLN HN 16 GLN HG2 3.77 16 GLN HN 16 GLN HG3 3.34 16 GLN HN 17 ALA HN 3.16 16 GLN HN 18 VAL HN 4.74 16 GLN HA 16 GLN HB2 2.98 16 GLN HA 16 GLN HB3 2.98 16 GLN HA 16 GLN HG2 4.06 16 GLN HA 16 GLN HG3 3.98 16 GLN HA 16 GLN QE2 6.87 16 GLN HA 19 GLU HN 3.84 16 GLN HA 19 GLU HB2 4.49 16 GLN HA 19 GLU HB3 4.49 16 GLN HA 19 GLU QB 4.07 16 GLN HA 19 GLU HG2 5.06 16 GLN HA 19 GLU HG3 5.06 16 GLN HA 20 ALA HN 5.57 16 GLN HA 61 TRP HH2 6.00 16 GLN HB2 16 GLN HE21 7.73 16 GLN HB2 16 GLN HE22 7.73 16 GLN HB2 17 ALA HN 4.42 16 GLN HB2 61 TRP HZ2 6.00 16 GLN HB2 61 TRP HH2 4.96 16 GLN HB3 16 GLN HE21 7.73 16 GLN HB3 16 GLN HE22 7.73 16 GLN HB3 17 ALA HN 4.42 16 GLN HB3 61 TRP HZ2 6.00 16 GLN HB3 61 TRP HH2 4.96 16 GLN QB 17 ALA HN 4.01 16 GLN QB 17 ALA HA 5.01 16 GLN QB 61 TRP HE3 6.88 16 GLN QB 61 TRP HE1 6.88 16 GLN QB 61 TRP HH2 4.53 16 GLN HG2 17 ALA HN 6.00 16 GLN HG2 61 TRP HH2 5.10 16 GLN HG3 16 GLN HE21 3.62 16 GLN HG3 16 GLN HE22 3.62 16 GLN HG3 16 GLN QE2 3.37 16 GLN HG3 17 ALA HN 6.00 17 ALA HN 17 ALA QB 3.43 17 ALA HN 18 VAL HN 3.37 17 ALA HN 18 VAL QG2 5.52 17 ALA HN 19 GLU HN 4.38 17 ALA HN 20 ALA HN 6.00 17 ALA HN 63 PHE QE 8.12 17 ALA HA 20 ALA HN 3.59 17 ALA HA 20 ALA QB 3.82 17 ALA HA 21 LEU HN 4.81 17 ALA HA 61 TRP HE3 5.78 17 ALA HA 61 TRP HZ3 4.06 17 ALA HA 63 PHE QE 7.15 17 ALA HA 68 LEU QD2 7.03 17 ALA QB 18 VAL HN 3.79 17 ALA QB 19 GLU HN 7.03 17 ALA QB 20 ALA QB 6.80 17 ALA QB 21 LEU QD1 8.06 17 ALA QB 49 PRO HB2 5.55 17 ALA QB 49 PRO HB3 5.55 17 ALA QB 49 PRO QB 5.32 17 ALA QB 49 PRO QG 7.22 17 ALA QB 61 TRP HE3 5.52 17 ALA QB 61 TRP HZ3 5.37 17 ALA QB 63 PHE QD 9.15 17 ALA QB 63 PHE QE 7.28 17 ALA QB 63 PHE HZ 4.69 18 VAL HN 18 VAL HB 2.90 18 VAL HN 18 VAL QG2 3.43 18 VAL HN 19 GLU HN 2.80 18 VAL HN 19 GLU HA 6.00 18 VAL HN 19 GLU QB 6.88 18 VAL HN 20 ALA HN 4.49 18 VAL HN 21 LEU QD1 7.03 18 VAL HA 18 VAL QG1 3.61 18 VAL HA 18 VAL QG2 3.72 18 VAL HA 21 LEU HN 3.55 18 VAL HA 21 LEU HB2 3.44 18 VAL HA 21 LEU HB3 4.70 18 VAL HA 21 LEU HG 4.85 18 VAL HA 21 LEU QD1 4.04 18 VAL HA 21 LEU QD2 5.95 18 VAL HA 22 ALA HN 5.39 18 VAL HA 29 PHE HZ 5.24 18 VAL HB 19 GLU HN 3.41 18 VAL HB 22 ALA QB 7.03 18 VAL QG1 19 GLU HN 4.98 18 VAL QG1 19 GLU HA 5.59 18 VAL QG1 19 GLU QG 7.51 18 VAL QG1 21 LEU QD1 8.06 18 VAL QG1 22 ALA HN 7.03 18 VAL QG1 22 ALA QB 7.41 18 VAL QG1 29 PHE QE 8.03 18 VAL QG1 29 PHE HZ 4.51 18 VAL QG2 19 GLU HN 5.19 18 VAL QG2 21 LEU QD1 6.51 18 VAL QG2 29 PHE QD 9.15 18 VAL QG2 29 PHE HZ 4.40 19 GLU HN 19 GLU HB2 3.08 19 GLU HN 19 GLU HB3 3.08 19 GLU HN 19 GLU QB 2.88 19 GLU HN 19 GLU HG2 4.42 19 GLU HN 19 GLU HG3 4.42 19 GLU HN 19 GLU QG 4.24 19 GLU HN 20 ALA HN 3.05 19 GLU HN 20 ALA QB 5.80 19 GLU HA 19 GLU HB2 2.94 19 GLU HA 19 GLU HB3 2.94 19 GLU HA 19 GLU HG2 3.30 19 GLU HA 19 GLU HG3 3.30 19 GLU HA 19 GLU QG 3.09 19 GLU HA 21 LEU HN 4.31 19 GLU HA 22 ALA QB 3.68 19 GLU HA 23 GLN HN 4.67 19 GLU HB2 20 ALA HN 3.98 19 GLU HB3 20 ALA HN 3.98 19 GLU QB 20 ALA HN 3.81 19 GLU QB 23 GLN QE2 7.74 19 GLU HG2 20 ALA HN 6.00 19 GLU HG2 22 ALA QB 7.03 19 GLU HG2 23 GLN HE21 7.73 19 GLU HG2 23 GLN HE22 7.73 19 GLU HG3 20 ALA HN 6.00 19 GLU HG3 22 ALA QB 7.03 19 GLU HG3 23 GLN HE21 7.73 19 GLU HG3 23 GLN HE22 7.73 19 GLU QG 20 ALA HN 5.83 19 GLU QG 23 GLN QE2 6.81 20 ALA HN 21 LEU HN 2.98 20 ALA HN 23 GLN HN 4.92 20 ALA HN 68 LEU QD2 7.03 20 ALA HA 23 GLN HN 3.55 20 ALA HA 23 GLN HB2 3.34 20 ALA HA 23 GLN HB3 3.88 20 ALA HA 23 GLN HG2 5.96 20 ALA HA 23 GLN HG3 4.85 20 ALA QB 21 LEU HN 3.43 20 ALA QB 21 LEU HA 4.87 20 ALA QB 21 LEU QD1 8.06 20 ALA QB 23 GLN HB2 7.03 20 ALA QB 23 GLN HB3 7.03 20 ALA QB 51 LEU QQD 9.63 20 ALA QB 61 TRP HZ3 6.85 20 ALA QB 63 PHE QD 7.39 20 ALA QB 63 PHE QE 6.85 20 ALA QB 64 ASP HA 4.62 20 ALA QB 65 ALA HN 5.44 20 ALA QB 68 LEU QD2 5.46 21 LEU HN 21 LEU HB2 3.44 21 LEU HN 21 LEU HB3 3.59 21 LEU HN 21 LEU HG 3.41 21 LEU HN 21 LEU QD1 4.44 21 LEU HN 21 LEU QD2 5.19 21 LEU HN 22 ALA HN 2.94 21 LEU HN 22 ALA QB 5.41 21 LEU HN 23 GLN HN 4.99 21 LEU HN 24 ALA HN 4.96 21 LEU HN 68 LEU QD2 4.36 21 LEU HA 21 LEU HG 3.01 21 LEU HA 21 LEU QD1 4.62 21 LEU HA 21 LEU QD2 3.57 21 LEU HA 24 ALA HN 4.45 21 LEU HA 24 ALA QB 4.11 21 LEU HA 25 ARG HN 4.78 21 LEU HA 26 ALA HN 3.77 21 LEU HA 26 ALA QB 4.00 21 LEU HA 68 LEU QD2 3.79 21 LEU HB2 22 ALA HN 3.44 21 LEU HB3 21 LEU QD1 3.75 21 LEU HB3 22 ALA HN 3.52 21 LEU HB3 68 LEU QD2 7.03 21 LEU HG 22 ALA HN 6.00 21 LEU HG 63 PHE QE 8.12 21 LEU HG 68 LEU QD2 4.36 21 LEU QD1 22 ALA HN 6.02 21 LEU QD1 26 ALA QB 7.16 21 LEU QD1 29 PHE HB2 7.03 21 LEU QD1 29 PHE HB3 7.03 21 LEU QD1 29 PHE QD 8.36 21 LEU QD1 29 PHE QE 7.42 21 LEU QD1 51 LEU QD1 7.62 21 LEU QD1 51 LEU QD2 7.62 21 LEU QD1 51 LEU QQD 7.01 21 LEU QD1 68 LEU QD1 8.06 21 LEU QD1 68 LEU QD2 6.36 21 LEU QD2 22 ALA HN 5.44 21 LEU QD2 24 ALA QB 7.34 21 LEU QD2 26 ALA HN 4.80 21 LEU QD2 26 ALA HA 6.42 21 LEU QD2 26 ALA QB 5.10 21 LEU QD2 27 GLY HN 6.34 21 LEU QD2 29 PHE HB2 7.03 21 LEU QD2 29 PHE HB3 6.88 21 LEU QD2 29 PHE QD 8.47 21 LEU QD2 29 PHE QE 9.15 21 LEU QD2 51 LEU HG 5.77 21 LEU QD2 68 LEU QD1 8.06 22 ALA HN 22 ALA QB 3.43 22 ALA HN 23 GLN HN 3.12 22 ALA HN 24 ALA HN 4.70 22 ALA HN 26 ALA HN 6.00 22 ALA HA 23 GLN HA 5.42 22 ALA HA 25 ARG HN 3.66 22 ALA HA 26 ALA HN 3.77 22 ALA QB 23 GLN HN 3.93 22 ALA QB 23 GLN HA 7.03 22 ALA QB 23 GLN HG2 5.59 22 ALA QB 23 GLN HG3 6.34 22 ALA QB 24 ALA HN 5.77 22 ALA QB 26 ALA HN 7.03 23 GLN HN 23 GLN HA 2.69 23 GLN HN 23 GLN HB2 3.05 23 GLN HN 23 GLN HB3 3.41 23 GLN HN 23 GLN HG2 3.26 23 GLN HN 23 GLN HG3 3.01 23 GLN HN 24 ALA HN 2.83 23 GLN HN 24 ALA QB 6.27 23 GLN HN 25 ARG HN 4.27 23 GLN HN 65 ALA QB 6.24 23 GLN HA 23 GLN HB3 2.72 23 GLN HA 23 GLN HG2 3.23 23 GLN HA 23 GLN HG3 3.41 23 GLN HA 25 ARG HN 4.49 23 GLN HA 65 ALA QB 5.62 23 GLN HB2 23 GLN HG3 2.76 23 GLN HB2 24 ALA HN 3.08 23 GLN HB2 65 ALA QB 3.72 23 GLN HB3 23 GLN HG2 2.80 23 GLN HB3 23 GLN HG3 2.90 23 GLN HB3 24 ALA HN 3.66 23 GLN HB3 65 ALA QB 3.61 23 GLN HG2 24 ALA HN 4.85 23 GLN HG2 65 ALA QB 6.13 23 GLN HG3 24 ALA HN 4.85 23 GLN HG3 65 ALA QB 6.45 24 ALA HN 24 ALA HA 2.90 24 ALA HN 24 ALA QB 3.43 24 ALA HN 25 ARG HN 2.62 24 ALA HN 65 ALA QB 5.23 24 ALA HN 68 LEU QD2 4.94 24 ALA HA 25 ARG HN 3.52 24 ALA HA 68 LEU QD2 7.03 24 ALA HA 69 ARG HB2 4.31 24 ALA HA 69 ARG HB3 4.31 24 ALA HA 69 ARG QB 4.09 24 ALA HA 69 ARG QG 6.88 24 ALA HA 69 ARG HD2 6.00 24 ALA HA 69 ARG HD3 6.00 24 ALA QB 25 ARG HN 4.29 24 ALA QB 25 ARG HA 5.73 24 ALA QB 26 ALA HN 3.93 24 ALA QB 65 ALA HA 4.44 24 ALA QB 68 LEU QB 5.53 24 ALA QB 68 LEU QD2 5.28 24 ALA QB 69 ARG HN 7.03 24 ALA QB 69 ARG HA 4.58 24 ALA QB 69 ARG HB2 5.16 24 ALA QB 69 ARG HB3 5.16 24 ALA QB 69 ARG QB 4.99 24 ALA QB 69 ARG QG 7.33 24 ALA QB 69 ARG HD2 7.03 24 ALA QB 69 ARG HD3 7.03 24 ALA QB 72 LEU QQD 7.97 25 ARG HN 25 ARG HB2 3.70 25 ARG HN 25 ARG HG2 4.20 25 ARG HN 25 ARG HG3 4.20 25 ARG HN 25 ARG QG 3.72 25 ARG HN 25 ARG HD2 5.75 25 ARG HN 25 ARG HD3 5.75 25 ARG HN 25 ARG QD 5.40 25 ARG HN 26 ALA HN 3.26 25 ARG HA 25 ARG HB2 2.98 25 ARG HA 25 ARG QG 3.60 25 ARG HA 25 ARG HD2 6.00 25 ARG HA 25 ARG HD3 6.00 25 ARG HA 25 ARG QD 5.67 25 ARG HA 26 ALA HN 2.83 25 ARG HA 26 ALA QB 5.30 25 ARG HA 27 GLY HN 4.27 25 ARG HB2 25 ARG HG2 2.94 25 ARG HB2 25 ARG HG3 2.94 25 ARG HB2 25 ARG QD 3.73 25 ARG HB2 26 ALA HN 4.81 25 ARG HB3 25 ARG HD2 3.16 25 ARG HB3 25 ARG HD3 3.16 25 ARG HB3 26 ALA HN 5.28 25 ARG HG2 26 ALA HN 6.00 25 ARG HG3 26 ALA HN 6.00 25 ARG QD 26 ALA HN 6.81 26 ALA HN 26 ALA QB 3.43 26 ALA HN 27 GLY HN 3.80 26 ALA HN 68 LEU QD2 5.34 26 ALA HN 72 LEU QQD 6.83 26 ALA HA 27 GLY HN 3.59 26 ALA HA 27 GLY QA 5.30 26 ALA HA 72 LEU QQD 6.08 26 ALA QB 27 GLY HN 4.22 26 ALA QB 29 PHE QD 8.68 26 ALA QB 68 LEU QD2 6.00 26 ALA QB 72 LEU QD1 6.98 26 ALA QB 72 LEU QD2 6.98 26 ALA QB 72 LEU QQD 6.22 27 GLY HN 28 ALA HN 4.70 27 GLY HN 28 ALA HA 5.28 27 GLY HN 28 ALA QB 7.03 27 GLY HA1 28 ALA HN 3.16 27 GLY HA1 28 ALA QB 6.09 27 GLY HA2 28 ALA HN 3.16 27 GLY HA2 28 ALA QB 6.09 27 GLY QA 28 ALA HN 2.98 27 GLY QA 28 ALA QB 5.97 28 ALA HN 28 ALA QB 3.43 28 ALA HN 29 PHE HN 4.60 28 ALA HA 29 PHE HN 2.69 28 ALA HA 29 PHE QD 8.12 28 ALA QB 29 PHE HN 3.43 29 PHE HN 29 PHE HB2 3.88 29 PHE HN 29 PHE HB3 3.77 29 PHE HN 29 PHE QE 7.19 29 PHE HN 30 PHE HN 4.88 29 PHE HA 30 PHE HN 3.26 29 PHE HB2 30 PHE HN 4.24 29 PHE HB3 30 PHE HN 3.59 29 PHE QD 30 PHE HN 7.29 29 PHE QE 31 SER QB 9.00 30 PHE HN 30 PHE HB2 2.90 30 PHE HN 30 PHE HB3 3.59 30 PHE HN 31 SER HN 5.28 30 PHE HA 30 PHE HB3 2.83 30 PHE HA 31 SER HN 2.51 30 PHE HB2 31 SER HN 4.16 30 PHE HB2 32 VAL QG2 6.85 30 PHE HB3 31 SER HN 3.41 30 PHE HB3 32 VAL QG2 5.91 30 PHE QD 31 SER HN 7.87 31 SER HN 31 SER HB2 3.48 31 SER HN 31 SER HB3 3.48 31 SER HN 31 SER QB 3.13 31 SER HN 32 VAL HN 5.86 31 SER HN 32 VAL QG2 6.02 31 SER HA 32 VAL HN 2.76 31 SER HA 32 VAL QG2 5.66 31 SER HB2 32 VAL HN 4.38 31 SER HB2 33 PHE QE 6.57 31 SER HB3 32 VAL HN 4.38 31 SER HB3 33 PHE QE 6.57 31 SER QB 32 VAL HN 3.97 32 VAL HN 32 VAL HB 3.19 32 VAL HN 32 VAL QG2 3.86 32 VAL HN 33 PHE HN 5.14 32 VAL HA 32 VAL QG1 3.61 32 VAL HA 32 VAL QG2 3.57 32 VAL HA 33 PHE HN 2.83 32 VAL HB 33 PHE HN 4.49 32 VAL QG1 33 PHE HN 3.61 32 VAL QG1 34 ILE HN 5.73 32 VAL QG1 34 ILE HA 5.91 32 VAL QG2 33 PHE HN 5.01 32 VAL QG2 40 LEU QQD 9.63 33 PHE HN 33 PHE HB2 4.02 33 PHE HN 33 PHE HB3 4.02 33 PHE HN 33 PHE QB 3.76 33 PHE HN 34 ILE HN 5.64 33 PHE HA 34 ILE HN 3.05 33 PHE HA 34 ILE QG2 5.26 33 PHE HA 35 ASP HN 4.85 33 PHE HB2 34 ILE HN 4.27 33 PHE HB2 35 ASP HN 4.78 33 PHE HB3 34 ILE HN 4.27 33 PHE HB3 35 ASP HN 4.78 33 PHE QB 34 ILE HN 3.88 33 PHE QB 35 ASP HN 4.30 34 ILE HN 34 ILE QG2 3.64 34 ILE HN 34 ILE HG12 3.16 34 ILE HN 34 ILE HG13 3.16 34 ILE HN 34 ILE QG1 2.96 34 ILE HN 34 ILE QD1 5.34 34 ILE HN 35 ASP HN 3.23 34 ILE HN 48 VAL QQG 8.59 34 ILE HA 34 ILE HB 2.69 34 ILE HA 34 ILE QG2 3.43 34 ILE HA 34 ILE QD1 4.76 34 ILE HA 35 ASP HN 3.44 34 ILE HA 37 ASP HB2 5.03 34 ILE HA 37 ASP HB3 5.03 34 ILE HA 37 ASP QB 4.57 34 ILE HA 40 LEU HB2 4.70 34 ILE HA 40 LEU HB3 4.70 34 ILE HA 40 LEU QB 4.46 34 ILE HA 40 LEU QD1 5.62 34 ILE HA 40 LEU QD2 5.62 34 ILE HB 34 ILE QD1 3.43 34 ILE HB 35 ASP HN 4.70 34 ILE HB 40 LEU HB2 4.09 34 ILE HB 40 LEU HB3 4.09 34 ILE HB 40 LEU QB 3.92 34 ILE HB 40 LEU QQD 8.06 34 ILE HB 41 GLU HA 6.00 34 ILE HB 41 GLU HG2 5.32 34 ILE QG2 35 ASP HN 5.37 34 ILE QG2 40 LEU QB 5.93 34 ILE QG2 44 TYR HB2 4.90 34 ILE QG2 44 TYR HB3 4.87 34 ILE QG2 44 TYR QD 7.01 34 ILE QG2 44 TYR QE 7.83 34 ILE HG12 35 ASP HN 4.56 34 ILE HG12 41 GLU HG3 6.00 34 ILE HG13 35 ASP HN 4.56 34 ILE HG13 41 GLU HG3 6.00 34 ILE QG1 35 ASP HN 4.12 34 ILE QG1 35 ASP HA 6.34 34 ILE QG1 41 GLU HG3 5.56 34 ILE QG1 48 VAL QQG 8.14 34 ILE QD1 35 ASP HN 6.06 34 ILE QD1 40 LEU QB 6.47 34 ILE QD1 41 GLU HN 6.13 34 ILE QD1 41 GLU HA 3.46 34 ILE QD1 41 GLU QB 6.54 34 ILE QD1 41 GLU HG2 4.36 34 ILE QD1 41 GLU HG3 5.59 34 ILE QD1 44 TYR HB2 4.54 34 ILE QD1 44 TYR HB3 5.88 34 ILE QD1 44 TYR QD 8.74 34 ILE QD1 45 GLY HN 4.29 34 ILE QD1 45 GLY HA1 4.83 34 ILE QD1 45 GLY HA2 4.83 34 ILE QD1 45 GLY QA 4.52 34 ILE QD1 46 LEU HA 7.03 34 ILE QD1 48 VAL HN 6.13 34 ILE QD1 48 VAL QQG 8.57 35 ASP HN 35 ASP HB2 3.52 35 ASP HN 35 ASP HB3 3.52 35 ASP HN 35 ASP QB 3.28 35 ASP HN 36 ASP HN 5.53 35 ASP HN 37 ASP HN 6.00 35 ASP HA 36 ASP HN 2.83 35 ASP HA 37 ASP HN 4.45 36 ASP HN 37 ASP HN 3.48 36 ASP HA 41 GLU HG3 6.00 36 ASP HB2 37 ASP HN 5.17 36 ASP HB3 37 ASP HN 5.17 37 ASP HN 37 ASP HA 2.87 37 ASP HN 37 ASP HB2 3.55 37 ASP HN 37 ASP HB3 3.55 37 ASP HN 37 ASP QB 3.33 37 ASP HN 38 ALA HN 4.74 37 ASP HN 40 LEU QB 6.05 37 ASP HN 40 LEU QQD 8.60 37 ASP HN 41 GLU HG3 4.20 37 ASP HA 38 ALA HN 2.65 37 ASP HA 38 ALA HA 5.46 37 ASP HA 38 ALA QB 5.34 37 ASP HA 39 ALA HN 3.59 37 ASP HB2 38 ALA HN 4.70 37 ASP HB2 40 LEU HN 4.49 37 ASP HB2 40 LEU HB2 5.88 37 ASP HB2 40 LEU HB3 5.88 37 ASP HB2 40 LEU HG 6.00 37 ASP HB2 40 LEU QD1 8.30 37 ASP HB2 40 LEU QD2 8.30 37 ASP HB3 38 ALA HN 4.70 37 ASP HB3 40 LEU HN 4.49 37 ASP HB3 40 LEU HB2 5.88 37 ASP HB3 40 LEU HB3 5.88 37 ASP HB3 40 LEU HG 6.00 37 ASP HB3 40 LEU QD1 8.30 37 ASP HB3 40 LEU QD2 8.30 37 ASP QB 38 ALA HN 4.39 37 ASP QB 40 LEU HN 3.92 37 ASP QB 40 LEU QB 4.82 37 ASP QB 40 LEU HG 5.69 37 ASP QB 40 LEU QQD 6.21 38 ALA HN 38 ALA QB 3.43 38 ALA HN 39 ALA HN 2.94 38 ALA HN 40 LEU HN 4.34 38 ALA HA 41 GLU HN 3.70 38 ALA HA 41 GLU HB2 3.52 38 ALA HA 41 GLU HB3 3.52 38 ALA HA 41 GLU HG2 3.88 38 ALA HA 42 SER HN 3.73 38 ALA QB 39 ALA HN 3.64 38 ALA QB 41 GLU HN 7.03 38 ALA QB 42 SER HN 7.03 39 ALA HN 39 ALA HA 2.80 39 ALA HN 39 ALA QB 3.43 39 ALA HN 40 LEU HN 3.41 39 ALA HN 41 GLU HN 4.02 39 ALA HA 42 SER HN 3.55 39 ALA QB 40 LEU HN 3.75 39 ALA QB 40 LEU HG 6.99 39 ALA QB 40 LEU QD1 8.06 39 ALA QB 40 LEU QD2 8.06 39 ALA QB 42 SER HN 7.03 39 ALA QB 42 SER HB2 7.03 39 ALA QB 42 SER HB3 7.03 39 ALA QB 42 SER QB 6.43 39 ALA QB 43 ALA HN 6.60 39 ALA QB 43 ALA QB 6.18 40 LEU HN 40 LEU HB2 4.02 40 LEU HN 40 LEU HB3 4.02 40 LEU HN 40 LEU HG 2.62 40 LEU HN 40 LEU QD1 5.34 40 LEU HN 40 LEU QD2 5.34 40 LEU HN 40 LEU QQD 4.97 40 LEU HN 41 GLU HN 3.48 40 LEU HN 42 SER HN 4.31 40 LEU HA 40 LEU QD1 5.19 40 LEU HA 40 LEU QD2 5.19 40 LEU HA 43 ALA HN 3.23 40 LEU HA 44 TYR QD 6.70 40 LEU HA 44 TYR QE 8.13 40 LEU HB2 41 GLU HN 5.24 40 LEU HB2 44 TYR QD 8.14 40 LEU HB3 41 GLU HN 5.24 40 LEU HB3 44 TYR QD 8.14 40 LEU QB 41 GLU HN 4.39 40 LEU QB 44 TYR QD 7.76 40 LEU HG 41 GLU HN 4.45 40 LEU QD1 41 GLU HN 6.96 40 LEU QD1 44 TYR QD 7.44 40 LEU QD1 44 TYR QE 9.16 40 LEU QD2 41 GLU HN 6.96 40 LEU QD2 44 TYR QD 7.44 40 LEU QD2 44 TYR QE 9.16 40 LEU QQD 41 GLU HN 6.52 40 LEU QQD 44 TYR QE 7.98 41 GLU HN 41 GLU HB2 3.73 41 GLU HN 41 GLU HB3 3.73 41 GLU HN 41 GLU QB 3.41 41 GLU HN 41 GLU HG2 4.16 41 GLU HN 41 GLU HG3 4.20 41 GLU HN 42 SER HN 2.90 41 GLU HN 44 TYR HN 5.78 41 GLU HA 41 GLU HG2 3.55 41 GLU HA 41 GLU HG3 3.62 41 GLU HA 43 ALA HN 5.89 41 GLU HA 44 TYR HN 5.39 41 GLU HA 45 GLY HN 3.52 41 GLU HA 45 GLY QA 4.76 41 GLU HA 48 VAL QQG 8.05 41 GLU HB2 42 SER HN 3.48 41 GLU HB3 42 SER HN 3.48 41 GLU QB 42 SER HN 3.24 41 GLU QB 42 SER HA 5.01 41 GLU QB 43 ALA HN 5.44 41 GLU HG2 42 SER HN 4.96 41 GLU HG2 45 GLY HN 6.00 41 GLU HG3 42 SER HN 4.96 41 GLU HG3 45 GLY HN 6.00 42 SER HN 42 SER HA 2.90 42 SER HN 42 SER HB2 3.08 42 SER HN 42 SER HB3 3.08 42 SER HN 43 ALA HN 3.12 42 SER HN 43 ALA QB 5.84 42 SER HN 44 TYR HN 5.17 42 SER HN 45 GLY QA 6.88 42 SER HA 42 SER HB2 2.90 42 SER HA 42 SER HB3 2.90 42 SER HA 43 ALA QB 7.03 42 SER HA 44 TYR HN 5.14 42 SER HB2 43 ALA HN 3.88 42 SER HB2 43 ALA QB 7.03 42 SER HB2 44 TYR HN 5.68 42 SER HB3 43 ALA HN 3.88 42 SER HB3 43 ALA QB 7.03 42 SER HB3 44 TYR HN 5.68 42 SER QB 43 ALA HN 3.69 42 SER QB 44 TYR HN 5.43 43 ALA HN 43 ALA HA 2.83 43 ALA HN 43 ALA QB 3.43 43 ALA HN 44 TYR HN 2.98 43 ALA HN 44 TYR QD 7.06 43 ALA QB 44 TYR HN 3.93 43 ALA QB 44 TYR QD 7.22 43 ALA QB 44 TYR QE 7.58 44 TYR HN 45 GLY HN 2.80 44 TYR HA 47 ARG HN 3.41 44 TYR HA 47 ARG HB2 4.24 44 TYR HA 47 ARG HB3 4.88 44 TYR HA 47 ARG QG 6.34 44 TYR HA 47 ARG HD2 4.09 44 TYR HA 47 ARG HD3 5.06 44 TYR HA 48 VAL HN 5.71 44 TYR HA 50 VAL QG2 6.78 44 TYR HB2 45 GLY HN 3.62 44 TYR HB2 48 VAL QG1 6.74 44 TYR HB2 48 VAL QG2 6.74 44 TYR HB2 48 VAL QQG 5.49 44 TYR HB3 45 GLY HN 4.06 44 TYR HB3 47 ARG HN 4.34 44 TYR HB3 48 VAL QG1 6.85 44 TYR HB3 48 VAL QG2 6.85 44 TYR HB3 48 VAL QQG 5.44 44 TYR HB3 50 VAL QG2 4.94 44 TYR QD 45 GLY HN 7.17 44 TYR QD 48 VAL QQG 9.25 44 TYR QD 50 VAL HB 8.14 44 TYR QD 50 VAL QG1 7.40 44 TYR QD 50 VAL QG2 7.48 44 TYR QE 48 VAL QQG 10.72 44 TYR QE 50 VAL QG1 6.96 44 TYR QE 50 VAL QG2 8.87 45 GLY HN 45 GLY HA1 2.90 45 GLY HN 45 GLY HA2 2.90 45 GLY HN 45 GLY QA 2.58 45 GLY HN 46 LEU HN 5.24 45 GLY HN 47 ARG HN 5.53 45 GLY HN 48 VAL QQG 6.00 45 GLY HA1 48 VAL QG1 8.56 45 GLY HA1 48 VAL QG2 8.56 45 GLY HA2 48 VAL QG1 8.56 45 GLY HA2 48 VAL QG2 8.56 45 GLY QA 48 VAL QQG 6.60 46 LEU HN 46 LEU HB2 3.48 46 LEU HN 46 LEU HB3 3.62 46 LEU HN 46 LEU HG 4.60 46 LEU HN 46 LEU QD1 5.52 46 LEU HN 46 LEU QD2 5.52 46 LEU HN 46 LEU QQD 4.98 46 LEU HN 47 ARG HN 2.65 46 LEU HN 47 ARG HB2 4.74 46 LEU HN 47 ARG QG 6.63 46 LEU HN 48 VAL HN 4.38 46 LEU HA 46 LEU QD1 4.90 46 LEU HA 46 LEU QD2 4.90 46 LEU HA 46 LEU QQD 3.93 46 LEU HA 47 ARG HN 3.55 46 LEU HA 48 VAL HN 4.31 46 LEU HB2 46 LEU HG 2.51 46 LEU HB2 47 ARG HN 3.59 46 LEU HB3 46 LEU HG 2.54 46 LEU HB3 47 ARG HN 3.70 46 LEU HB3 48 VAL QQG 8.26 46 LEU HG 47 ARG HN 6.00 46 LEU QD1 47 ARG HN 7.03 46 LEU QD2 47 ARG HN 7.03 47 ARG HN 47 ARG HB2 3.41 47 ARG HN 47 ARG HB3 3.55 47 ARG HN 47 ARG HG2 4.70 47 ARG HN 47 ARG HG3 4.70 47 ARG HN 47 ARG QG 3.94 47 ARG HN 47 ARG HD3 4.78 47 ARG HN 48 VAL HN 3.08 47 ARG HN 48 VAL HA 5.35 47 ARG HN 48 VAL QQG 7.54 47 ARG HA 47 ARG HB3 3.01 47 ARG HA 47 ARG HG2 3.30 47 ARG HA 47 ARG HG3 3.30 47 ARG HA 47 ARG QG 2.97 47 ARG HA 47 ARG HD2 6.00 47 ARG HA 47 ARG HD3 6.00 47 ARG HA 48 VAL QQG 8.59 47 ARG HA 50 VAL QG2 6.85 47 ARG HB2 48 VAL HN 4.56 47 ARG HB2 50 VAL QG2 4.22 47 ARG HB3 47 ARG HE 5.32 47 ARG HB3 48 VAL HN 4.63 47 ARG HB3 50 VAL QG2 4.00 47 ARG HG2 48 VAL HN 6.00 47 ARG HG3 48 VAL HN 6.00 47 ARG QG 48 VAL HN 5.58 47 ARG HD3 48 VAL HN 6.00 48 VAL HN 48 VAL HB 4.16 48 VAL HN 48 VAL QG1 4.29 48 VAL HN 48 VAL QG2 4.29 48 VAL HN 48 VAL QQG 3.62 48 VAL HN 49 PRO QD 6.88 48 VAL HA 50 VAL HN 4.27 48 VAL QG1 49 PRO HD2 6.98 48 VAL QG1 49 PRO HD3 6.98 48 VAL QG2 49 PRO HD2 6.98 48 VAL QG2 49 PRO HD3 6.98 48 VAL QQG 49 PRO QD 5.78 48 VAL QQG 50 VAL HN 8.59 49 PRO QB 61 TRP HN 6.88 49 PRO QB 61 TRP HE3 6.66 49 PRO HG2 61 TRP HB2 7.75 49 PRO HG2 61 TRP HB3 7.75 49 PRO HG2 61 TRP HE3 5.57 49 PRO HG3 61 TRP HB2 7.75 49 PRO HG3 61 TRP HB3 7.75 49 PRO HG3 61 TRP HE3 5.57 49 PRO QG 61 TRP QB 6.82 49 PRO QG 61 TRP HE3 5.20 49 PRO QG 61 TRP HE1 6.88 49 PRO QD 50 VAL QG2 7.91 50 VAL HN 50 VAL HB 3.88 50 VAL HN 50 VAL QG2 3.93 50 VAL HN 51 LEU HN 5.75 50 VAL HA 51 LEU HN 2.76 50 VAL HA 51 LEU HB2 5.14 50 VAL HA 51 LEU HB3 6.00 50 VAL HA 60 ASP HA 5.53 50 VAL HA 61 TRP HN 4.56 50 VAL HB 51 LEU HN 5.46 50 VAL QG1 51 LEU HN 3.64 50 VAL QG1 52 ARG HA 6.09 50 VAL QG1 58 GLU HA 6.63 50 VAL QG1 58 GLU HB2 4.62 50 VAL QG1 58 GLU HB3 4.62 50 VAL QG1 58 GLU QB 4.48 50 VAL QG1 58 GLU HG2 7.03 50 VAL QG1 58 GLU HG3 7.03 50 VAL QG1 59 LEU HN 5.44 50 VAL QG2 51 LEU HN 4.87 50 VAL QG2 58 GLU QG 7.91 50 VAL QG2 61 TRP HN 5.23 51 LEU HN 51 LEU HB2 3.26 51 LEU HN 51 LEU HB3 3.34 51 LEU HN 51 LEU HG 4.52 51 LEU HN 51 LEU QD1 6.16 51 LEU HN 51 LEU QD2 6.16 51 LEU HN 51 LEU QQD 5.68 51 LEU HN 52 ARG HN 4.88 51 LEU HN 59 LEU HN 3.52 51 LEU HN 59 LEU QB 5.26 51 LEU HN 60 ASP HA 5.21 51 LEU HN 63 PHE QE 8.12 51 LEU HN 63 PHE HZ 5.28 51 LEU HA 51 LEU QD1 4.54 51 LEU HA 51 LEU QD2 4.54 51 LEU HA 52 ARG HN 2.54 51 LEU HB2 52 ARG HN 4.85 51 LEU HB2 59 LEU QB 4.36 51 LEU HB2 59 LEU QQD 7.91 51 LEU HB2 63 PHE HZ 5.89 51 LEU HB2 71 TRP HZ3 5.24 51 LEU HB2 71 TRP HH2 5.64 51 LEU HB3 51 LEU QD1 3.50 51 LEU HB3 51 LEU QD2 3.50 51 LEU HB3 52 ARG HN 4.81 51 LEU HB3 59 LEU HB2 5.03 51 LEU HB3 59 LEU HB3 5.03 51 LEU HB3 59 LEU QB 4.39 51 LEU HB3 59 LEU QQD 7.55 51 LEU HB3 63 PHE HZ 6.00 51 LEU HB3 71 TRP HZ3 3.52 51 LEU HB3 71 TRP HH2 6.00 51 LEU HG 52 ARG HN 4.31 51 LEU HG 71 TRP HZ3 5.86 51 LEU QD1 52 ARG HN 6.02 51 LEU QD1 59 LEU HN 7.03 51 LEU QD1 59 LEU QD1 11.20 51 LEU QD1 59 LEU QD2 11.20 51 LEU QD1 63 PHE QD 9.15 51 LEU QD1 63 PHE QE 9.08 51 LEU QD1 63 PHE HZ 7.03 51 LEU QD1 68 LEU QD1 7.88 51 LEU QD1 71 TRP HZ3 6.13 51 LEU QD2 52 ARG HN 6.02 51 LEU QD2 59 LEU HN 7.03 51 LEU QD2 59 LEU QD1 11.20 51 LEU QD2 59 LEU QD2 11.20 51 LEU QD2 63 PHE QD 9.15 51 LEU QD2 63 PHE QE 9.08 51 LEU QD2 63 PHE HZ 7.03 51 LEU QD2 68 LEU QD1 7.88 51 LEU QD2 71 TRP HZ3 6.13 51 LEU QQD 52 ARG HN 5.42 51 LEU QQD 59 LEU QQD 9.50 51 LEU QQD 63 PHE QE 8.73 51 LEU QQD 63 PHE HZ 6.69 51 LEU QQD 68 LEU HG 6.94 51 LEU QQD 68 LEU QD1 7.54 51 LEU QQD 68 LEU QD2 7.03 51 LEU QQD 71 TRP HZ3 5.34 52 ARG HN 52 ARG HB2 3.91 52 ARG HN 52 ARG HB3 3.91 52 ARG HN 52 ARG QB 3.74 52 ARG HN 52 ARG HG2 6.00 52 ARG HN 52 ARG HG3 6.00 52 ARG HN 53 ASP HN 5.89 52 ARG HA 52 ARG HD3 6.00 52 ARG HA 53 ASP HN 2.90 52 ARG HA 58 GLU HA 3.30 52 ARG HA 58 GLU HG2 5.46 52 ARG HA 58 GLU HG3 5.46 52 ARG HA 58 GLU QG 4.95 52 ARG HA 59 LEU HN 4.31 52 ARG HA 71 TRP HH2 5.53 52 ARG HB2 52 ARG HD2 4.09 52 ARG HB2 53 ASP HN 4.09 52 ARG HB2 58 GLU HG2 6.31 52 ARG HB2 58 GLU HG3 6.31 52 ARG HB3 52 ARG HD2 4.09 52 ARG HB3 53 ASP HN 4.09 52 ARG HB3 58 GLU HG2 6.31 52 ARG HB3 58 GLU HG3 6.31 52 ARG QB 52 ARG HD2 3.87 52 ARG QB 52 ARG HD3 3.94 52 ARG QB 53 ASP HN 3.85 52 ARG QB 58 GLU QG 5.31 52 ARG HG2 53 ASP HN 4.92 52 ARG HG3 53 ASP HN 4.92 53 ASP HN 53 ASP HB2 3.91 53 ASP HN 53 ASP HB3 3.91 53 ASP HN 53 ASP QB 3.75 53 ASP HN 56 GLY HN 4.96 53 ASP HN 57 ARG HN 4.02 53 ASP HN 58 GLU HA 3.84 53 ASP HN 71 TRP HZ2 4.81 53 ASP HN 71 TRP HH2 3.70 53 ASP HA 54 PRO QG 5.61 53 ASP HA 54 PRO HD2 3.80 53 ASP HA 54 PRO HD3 3.80 53 ASP HA 54 PRO QD 3.38 53 ASP HB2 54 PRO HD2 4.42 53 ASP HB2 54 PRO HD3 4.42 53 ASP HB2 71 TRP HZ2 6.00 53 ASP HB2 71 TRP HH2 6.00 53 ASP HB3 54 PRO HD2 4.42 53 ASP HB3 54 PRO HD3 4.42 53 ASP HB3 71 TRP HZ2 6.00 53 ASP HB3 71 TRP HH2 6.00 53 ASP QB 54 PRO QD 4.06 53 ASP QB 55 MET HN 5.04 53 ASP QB 71 TRP HZ3 6.77 53 ASP QB 71 TRP HZ2 5.52 53 ASP QB 71 TRP HH2 5.38 54 PRO HB2 55 MET HN 4.42 54 PRO HB3 55 MET HN 4.42 54 PRO QB 55 MET HN 4.22 54 PRO QG 55 MET HN 5.07 54 PRO QG 56 GLY HN 6.88 54 PRO HD2 55 MET HN 4.52 54 PRO HD3 55 MET HN 4.52 54 PRO QD 55 MET HN 4.27 54 PRO QD 56 GLY QA 7.32 55 MET HN 55 MET HB2 3.70 55 MET HN 55 MET HB3 3.70 55 MET HN 55 MET QB 3.29 55 MET HN 55 MET HG2 3.88 55 MET HN 55 MET HG3 3.88 55 MET HN 55 MET QG 3.55 55 MET HN 55 MET QE 6.52 55 MET HN 56 GLY HN 2.76 55 MET HN 56 GLY HA1 5.82 55 MET HN 56 GLY HA2 5.82 55 MET HN 56 GLY QA 5.28 55 MET HN 57 ARG HN 4.34 55 MET HA 55 MET QE 5.44 55 MET HB2 56 GLY HN 4.31 55 MET HB3 56 GLY HN 4.31 55 MET QB 57 ARG HN 6.16 55 MET HG2 56 GLY HN 6.00 55 MET HG3 56 GLY HN 6.00 55 MET QG 56 GLY HN 5.37 55 MET QG 57 ARG HN 6.52 55 MET QG 75 ALA QB 7.91 55 MET QE 56 GLY HN 7.03 55 MET QE 75 ALA QB 6.58 56 GLY HN 57 ARG HN 3.70 56 GLY HN 57 ARG QG 5.19 57 ARG HN 57 ARG HB2 4.06 57 ARG HN 57 ARG HB3 4.06 57 ARG HN 57 ARG HG2 3.55 57 ARG HN 57 ARG HG3 3.55 57 ARG HN 57 ARG QG 3.24 57 ARG HN 57 ARG HD2 6.00 57 ARG HN 57 ARG HD3 6.00 57 ARG HN 58 GLU HN 4.49 57 ARG HA 57 ARG HD2 6.00 57 ARG HA 57 ARG HD3 6.00 57 ARG HA 58 GLU HN 2.80 57 ARG HB2 58 GLU HN 3.59 57 ARG HB2 71 TRP HZ2 4.31 57 ARG HB3 58 GLU HN 3.59 57 ARG HB3 71 TRP HZ2 4.31 57 ARG QB 58 GLU HN 3.40 57 ARG QB 71 TRP HE1 4.29 57 ARG QB 71 TRP HZ2 3.90 57 ARG HG2 58 GLU HN 5.35 57 ARG HG3 58 GLU HN 5.35 57 ARG QG 58 GLU HN 5.17 57 ARG QD 71 TRP HE1 5.98 58 GLU HN 58 GLU HB2 3.73 58 GLU HN 58 GLU HB3 3.73 58 GLU HN 58 GLU QB 3.52 58 GLU HN 58 GLU HG2 3.91 58 GLU HN 58 GLU HG3 3.91 58 GLU HN 58 GLU QG 3.63 58 GLU HN 59 LEU HN 4.45 58 GLU HN 71 TRP HZ2 4.34 58 GLU HA 58 GLU HG2 4.27 58 GLU HA 58 GLU HG3 4.27 58 GLU HA 59 LEU HN 2.76 58 GLU HA 71 TRP HZ2 4.09 58 GLU HB2 59 LEU HN 4.13 58 GLU HB3 59 LEU HN 4.13 58 GLU QB 59 LEU HN 3.84 58 GLU QB 71 TRP HZ2 6.23 58 GLU HG2 59 LEU HN 5.75 58 GLU HG3 59 LEU HN 5.75 58 GLU QG 59 LEU HN 5.26 59 LEU HN 59 LEU HB2 3.70 59 LEU HN 59 LEU HB3 3.70 59 LEU HN 59 LEU QB 3.52 59 LEU HN 59 LEU HG 5.35 59 LEU HN 59 LEU QD1 7.03 59 LEU HN 59 LEU QD2 7.03 59 LEU HN 59 LEU QQD 6.09 59 LEU HN 60 ASP HN 4.63 59 LEU HN 71 TRP HZ2 4.02 59 LEU HA 60 ASP HN 2.65 59 LEU HA 60 ASP HA 4.88 59 LEU HB2 60 ASP HN 4.45 59 LEU HB3 60 ASP HN 4.45 59 LEU QB 60 ASP HN 4.22 59 LEU QB 71 TRP HE1 6.88 59 LEU HG 60 ASP HN 3.88 59 LEU HG 63 PHE QD 6.75 59 LEU QD1 63 PHE HB2 7.03 59 LEU QD1 63 PHE HB3 7.03 59 LEU QD1 63 PHE QD 8.29 59 LEU QD1 67 ARG HG2 7.03 59 LEU QD1 67 ARG HG3 7.03 59 LEU QD1 67 ARG HD2 10.17 59 LEU QD1 67 ARG HD3 10.17 59 LEU QD1 71 TRP HN 6.74 59 LEU QD1 71 TRP HB2 6.16 59 LEU QD1 71 TRP HB3 6.42 59 LEU QD1 71 TRP HD1 6.24 59 LEU QD1 71 TRP HE3 5.55 59 LEU QD2 63 PHE HB2 7.03 59 LEU QD2 63 PHE HB3 7.03 59 LEU QD2 63 PHE QD 8.29 59 LEU QD2 67 ARG HG2 7.03 59 LEU QD2 67 ARG HG3 7.03 59 LEU QD2 67 ARG HD2 10.17 59 LEU QD2 67 ARG HD3 10.17 59 LEU QD2 71 TRP HN 6.74 59 LEU QD2 71 TRP HB2 6.16 59 LEU QD2 71 TRP HB3 6.42 59 LEU QD2 71 TRP HD1 6.24 59 LEU QD2 71 TRP HE3 5.55 59 LEU QQD 60 ASP HN 5.00 59 LEU QQD 63 PHE QB 6.09 59 LEU QQD 63 PHE QD 7.99 59 LEU QQD 64 ASP HN 7.09 59 LEU QQD 67 ARG QG 5.92 59 LEU QQD 67 ARG QD 8.10 59 LEU QQD 68 LEU HA 8.60 59 LEU QQD 71 TRP HN 5.62 59 LEU QQD 71 TRP HB2 5.15 59 LEU QQD 71 TRP HD1 5.21 59 LEU QQD 71 TRP HE3 5.01 59 LEU QQD 71 TRP HE1 5.83 60 ASP HN 60 ASP HB2 3.44 60 ASP HN 60 ASP HB3 3.44 60 ASP HN 60 ASP QB 3.10 60 ASP HN 61 TRP HN 5.82 60 ASP HA 61 TRP HN 2.69 60 ASP HB2 61 TRP HN 4.60 60 ASP HB3 61 TRP HN 4.60 60 ASP QB 61 TRP HN 4.32 60 ASP QB 63 PHE QD 9.00 61 TRP HN 61 TRP HB2 3.23 61 TRP HN 61 TRP HB3 3.23 61 TRP HN 61 TRP QB 2.98 61 TRP HN 61 TRP HD1 6.00 61 TRP HN 63 PHE QD 8.12 61 TRP HA 61 TRP HE3 5.03 61 TRP HA 63 PHE QD 5.89 61 TRP HA 63 PHE QE 7.98 61 TRP HZ3 63 PHE QE 8.12 63 PHE HN 63 PHE HB2 3.84 63 PHE HN 63 PHE HB3 3.84 63 PHE HN 63 PHE QB 3.52 63 PHE HN 64 ASP HN 4.60 63 PHE HA 64 ASP HN 3.05 63 PHE HA 67 ARG HB2 4.49 63 PHE HA 67 ARG HB3 4.49 63 PHE HA 67 ARG HD2 5.06 63 PHE HA 67 ARG HD3 5.06 63 PHE HA 67 ARG QD 4.77 63 PHE HB2 64 ASP HN 3.77 63 PHE HB2 67 ARG HB2 6.99 63 PHE HB2 67 ARG HB3 6.99 63 PHE HB2 67 ARG HD2 6.00 63 PHE HB2 67 ARG HD3 6.00 63 PHE HB3 64 ASP HN 3.77 63 PHE HB3 67 ARG HB2 6.99 63 PHE HB3 67 ARG HB3 6.99 63 PHE HB3 67 ARG HD2 6.00 63 PHE HB3 67 ARG HD3 6.00 63 PHE QB 64 ASP HN 3.43 63 PHE QB 67 ARG QB 5.96 63 PHE QB 67 ARG QG 7.61 63 PHE QB 67 ARG QD 5.62 63 PHE QB 68 LEU HN 5.37 63 PHE QB 68 LEU QB 7.75 63 PHE QD 64 ASP HN 6.79 63 PHE QD 67 ARG HD2 8.12 63 PHE QD 67 ARG HD3 8.12 63 PHE QD 68 LEU HN 8.12 63 PHE QD 68 LEU QB 8.86 63 PHE QD 68 LEU QD2 7.39 63 PHE QE 68 LEU QD2 7.82 63 PHE HZ 68 LEU QD2 7.03 64 ASP HN 64 ASP QB 3.79 64 ASP HN 65 ALA HN 5.71 64 ASP HN 66 PRO QD 6.23 64 ASP HN 67 ARG HN 3.66 64 ASP HN 67 ARG HA 4.81 64 ASP HN 67 ARG HB2 3.52 64 ASP HN 67 ARG HB3 3.52 64 ASP HN 67 ARG HG2 6.00 64 ASP HN 67 ARG HG3 6.00 64 ASP HN 67 ARG QG 5.35 64 ASP HN 67 ARG HD2 5.03 64 ASP HN 67 ARG HD3 5.03 64 ASP HN 67 ARG QD 4.52 64 ASP HN 68 LEU HN 4.20 64 ASP HA 65 ALA HN 2.90 64 ASP HA 65 ALA QB 5.66 64 ASP HA 66 PRO QD 6.63 64 ASP HB2 65 ALA HN 3.19 64 ASP HB2 66 PRO HD2 6.13 64 ASP HB2 66 PRO HD3 6.13 64 ASP HB3 65 ALA HN 3.19 64 ASP HB3 66 PRO HD2 6.13 64 ASP HB3 66 PRO HD3 6.13 64 ASP QB 65 ALA HN 2.82 64 ASP QB 65 ALA QB 5.93 64 ASP QB 66 PRO QD 5.28 64 ASP QB 67 ARG QB 6.31 64 ASP QB 67 ARG QG 7.75 65 ALA HN 65 ALA QB 3.43 65 ALA HN 66 PRO HG2 4.56 65 ALA HN 66 PRO HG3 4.56 65 ALA HN 66 PRO HD2 3.62 65 ALA HN 66 PRO HD3 3.62 65 ALA HN 66 PRO QD 3.02 65 ALA HA 67 ARG HN 5.46 65 ALA HA 68 LEU HN 3.55 65 ALA HA 68 LEU HB2 3.88 65 ALA HA 68 LEU HB3 3.88 65 ALA HA 68 LEU QB 3.60 65 ALA HA 68 LEU QD2 5.01 65 ALA HA 69 ARG HN 4.45 65 ALA QB 66 PRO HB2 7.03 65 ALA QB 66 PRO HB3 7.03 65 ALA QB 66 PRO QB 6.62 65 ALA QB 66 PRO HG2 6.42 65 ALA QB 66 PRO HG3 6.42 65 ALA QB 66 PRO QG 6.11 65 ALA QB 66 PRO QD 4.11 65 ALA QB 68 LEU QD2 8.06 66 PRO HA 68 LEU HN 4.31 66 PRO HA 69 ARG HN 3.70 66 PRO HA 69 ARG HG2 5.93 66 PRO HA 69 ARG HG3 5.93 66 PRO HA 69 ARG QG 5.43 66 PRO HB2 67 ARG HN 4.45 66 PRO HB3 67 ARG HN 4.45 66 PRO QB 67 ARG HN 4.22 66 PRO QB 70 ALA QB 7.80 66 PRO HG2 67 ARG HN 4.67 66 PRO HG3 67 ARG HN 4.67 66 PRO QG 67 ARG HN 4.42 66 PRO HD2 67 ARG HN 4.31 66 PRO HD3 67 ARG HN 4.31 66 PRO QD 67 ARG HN 4.04 67 ARG HN 67 ARG HB2 3.55 67 ARG HN 67 ARG HB3 3.55 67 ARG HN 67 ARG QB 3.24 67 ARG HN 67 ARG HG2 4.96 67 ARG HN 67 ARG HG3 4.96 67 ARG HN 67 ARG QG 4.29 67 ARG HN 67 ARG HD2 6.00 67 ARG HN 67 ARG HD3 6.00 67 ARG HN 67 ARG QD 5.88 67 ARG HN 68 LEU HN 3.05 67 ARG HN 69 ARG HN 4.67 67 ARG HN 70 ALA QB 6.63 67 ARG HA 67 ARG HB2 3.01 67 ARG HA 67 ARG HB3 3.01 67 ARG HA 67 ARG HG2 4.09 67 ARG HA 67 ARG HG3 4.09 67 ARG HA 67 ARG QG 3.81 67 ARG HA 67 ARG HD2 4.99 67 ARG HA 67 ARG HD3 4.99 67 ARG HA 69 ARG HN 4.49 67 ARG HA 70 ALA HN 3.66 67 ARG HA 70 ALA QB 3.75 67 ARG HB2 68 LEU HN 3.73 67 ARG HB3 68 LEU HN 3.73 67 ARG QB 68 LEU HA 5.19 67 ARG HG2 68 LEU HN 5.75 67 ARG HG3 68 LEU HN 5.75 67 ARG QG 68 LEU HN 5.50 67 ARG QG 71 TRP HB2 5.44 68 LEU HN 68 LEU HB2 3.34 68 LEU HN 68 LEU HB3 3.34 68 LEU HN 68 LEU QB 2.95 68 LEU HN 68 LEU HG 4.81 68 LEU HN 68 LEU QD1 6.06 68 LEU HN 68 LEU QD2 5.08 68 LEU HN 69 ARG HN 3.16 68 LEU HN 69 ARG HA 4.92 68 LEU HN 70 ALA HN 4.27 68 LEU HN 70 ALA QB 7.03 68 LEU HA 68 LEU QD1 4.54 68 LEU HA 68 LEU QD2 4.44 68 LEU HA 71 TRP HN 3.70 68 LEU HA 71 TRP HB2 3.59 68 LEU HA 71 TRP HB3 3.44 68 LEU HA 71 TRP HE3 5.86 68 LEU HA 72 LEU HN 4.81 68 LEU HB2 69 ARG HN 4.27 68 LEU HB3 69 ARG HN 4.27 68 LEU QB 69 ARG HN 4.11 68 LEU HG 69 ARG HN 5.06 68 LEU HG 72 LEU QQD 7.34 68 LEU QD1 69 ARG HN 7.03 68 LEU QD2 69 ARG HN 5.70 68 LEU QD2 69 ARG HA 6.27 68 LEU QD2 71 TRP HN 7.03 68 LEU QD2 71 TRP HB3 7.03 68 LEU QD2 71 TRP HE3 6.16 68 LEU QD2 71 TRP HZ3 6.06 68 LEU QD2 72 LEU HN 6.74 68 LEU QD2 72 LEU HB2 7.03 68 LEU QD2 72 LEU HG 5.26 68 LEU QD2 72 LEU QD1 7.05 68 LEU QD2 72 LEU QD2 7.05 68 LEU QD2 72 LEU QQD 6.46 69 ARG HN 69 ARG HB2 3.08 69 ARG HN 69 ARG HB3 3.08 69 ARG HN 69 ARG HG2 4.74 69 ARG HN 69 ARG HG3 4.74 69 ARG HN 69 ARG QG 4.57 69 ARG HN 69 ARG HD2 6.00 69 ARG HN 69 ARG HD3 6.00 69 ARG HN 69 ARG QD 5.15 69 ARG HN 70 ALA HN 3.05 69 ARG HN 70 ALA QB 5.91 69 ARG HA 69 ARG HD2 4.13 69 ARG HA 69 ARG HD3 4.13 69 ARG HA 69 ARG QD 3.87 69 ARG HA 72 LEU HN 4.63 69 ARG HA 72 LEU HA 5.24 69 ARG HA 72 LEU HB2 4.06 69 ARG HA 72 LEU HB3 4.52 69 ARG HA 72 LEU QD1 5.19 69 ARG HA 72 LEU QD2 5.19 69 ARG HA 72 LEU QQD 4.38 69 ARG HA 73 ASP HN 4.60 69 ARG HB2 70 ALA HN 3.84 69 ARG HB3 70 ALA HN 3.84 69 ARG QB 70 ALA HN 3.61 69 ARG HG2 70 ALA HN 5.46 69 ARG HG3 70 ALA HN 5.46 69 ARG QG 70 ALA HN 4.82 69 ARG QD 70 ALA HN 5.51 69 ARG QD 72 LEU QQD 9.48 70 ALA HN 70 ALA QB 3.43 70 ALA HN 71 TRP HN 3.01 70 ALA HA 73 ASP HN 3.91 70 ALA HA 73 ASP QB 4.22 70 ALA QB 71 TRP HN 3.57 70 ALA QB 71 TRP HB2 6.99 70 ALA QB 71 TRP HB3 6.45 70 ALA QB 72 LEU HN 7.03 70 ALA QB 73 ASP QB 7.01 70 ALA QB 74 ALA HN 6.81 71 TRP HN 71 TRP HB2 2.76 71 TRP HN 71 TRP HB3 3.05 71 TRP HN 71 TRP HE3 4.38 71 TRP HN 72 LEU HN 3.08 71 TRP HA 71 TRP HB2 2.76 71 TRP HA 71 TRP HD1 5.75 71 TRP HA 74 ALA HN 3.59 71 TRP HB2 72 LEU HN 4.27 71 TRP HB3 71 TRP HE3 4.06 71 TRP HB3 71 TRP HZ3 6.00 71 TRP HB3 72 LEU HN 3.80 71 TRP HE3 72 LEU HN 3.26 71 TRP HE3 72 LEU HA 4.38 71 TRP HE3 72 LEU HG 4.92 71 TRP HE3 72 LEU QD1 5.34 71 TRP HE3 72 LEU QD2 5.34 71 TRP HE3 72 LEU QQD 4.62 71 TRP HZ3 72 LEU QQD 6.47 71 TRP HZ2 72 LEU QQD 8.60 72 LEU HN 72 LEU HB2 3.26 72 LEU HN 72 LEU HB3 3.59 72 LEU HN 72 LEU HG 3.73 72 LEU HN 72 LEU QD1 4.72 72 LEU HN 72 LEU QD2 4.72 72 LEU HN 72 LEU QQD 4.19 72 LEU HN 73 ASP HN 3.23 72 LEU HN 74 ALA HN 4.85 72 LEU HA 72 LEU HG 3.88 72 LEU HA 72 LEU QD1 4.65 72 LEU HA 72 LEU QD2 4.65 72 LEU HA 72 LEU QQD 3.92 72 LEU HA 74 ALA HN 5.32 72 LEU HA 75 ALA HN 3.98 72 LEU HB2 73 ASP HN 4.02 72 LEU HB2 74 ALA HN 4.92 72 LEU HB3 73 ASP HN 3.52 72 LEU HG 73 ASP HN 4.96 72 LEU QD1 73 ASP HN 6.09 72 LEU QD2 73 ASP HN 6.09 72 LEU QQD 73 ASP HN 5.44 73 ASP HN 73 ASP HB2 3.59 73 ASP HN 73 ASP HB3 3.59 73 ASP HN 73 ASP QB 3.43 73 ASP HN 74 ALA HN 3.26 73 ASP HN 75 ALA HN 4.20 73 ASP HA 73 ASP HB2 3.05 73 ASP HA 73 ASP HB3 3.05 73 ASP HA 74 ALA HN 3.62 73 ASP HA 75 ALA HN 3.77 73 ASP HB2 74 ALA HN 3.84 73 ASP HB3 74 ALA HN 3.84 73 ASP QB 74 ALA HN 3.58 74 ALA HN 74 ALA QB 3.43 74 ALA HN 75 ALA HN 3.12 74 ALA HN 75 ALA QB 7.03 74 ALA HA 75 ALA HN 3.52 74 ALA HA 75 ALA QB 5.77 74 ALA QB 75 ALA HN 3.68 75 ALA HN 75 ALA QB 3.43 75 ALA HN 76 PRO QD 6.88 75 ALA QB 76 PRO HD2 4.83 75 ALA QB 76 PRO HD3 4.83 76 PRO HA 77 HIS HN 2.76 76 PRO HB2 77 HIS HN 3.88 76 PRO HB3 77 HIS HN 3.88 76 PRO HG2 77 HIS HN 5.32 76 PRO HG3 77 HIS HN 5.32 76 PRO QG 77 HIS HN 4.84 76 PRO QD 77 HIS HN 5.55 77 HIS HN 77 HIS HB2 3.77 77 HIS HN 77 HIS HB3 3.77 77 HIS HN 77 HIS QB 3.52 77 HIS HN 77 HIS HD2 4.99 77 HIS HN 78 ALA HN 4.78 77 HIS HN 78 ALA QB 5.55 77 HIS HA 77 HIS HB2 2.98 77 HIS HA 77 HIS HB3 2.98 77 HIS HA 77 HIS HD2 6.00 77 HIS HB2 78 ALA HN 4.31 77 HIS HB3 78 ALA HN 4.31 78 ALA HN 78 ALA QB 3.43 4 THR PHI -156.0 -84.0 4 THR PSI 105.0 141.0 5 LEU PHI -126.0 -82.0 5 LEU PSI 100.0 144.0 6 TYR PHI -138.0 -62.0 6 TYR PSI 108.0 144.0 7 GLN PHI -176.0 -100.0 7 GLN PSI 142.0 170.0 13 LEU PHI -77.0 -45.0 13 LEU PSI -46.0 -26.0 14 CYS PHI -76.0 -52.0 14 CYS PSI -56.0 -24.0 15 ASP- PHI -71.0 -51.0 15 ASP- CHI1 15.0 345.0 15 ASP- CHI1 -225.0 95.0 15 ASP- PSI -59.0 -23.0 16 GLN PHI -77.0 -57.0 16 GLN CHI1 -325.0 -15.0 16 GLN CHI1 -115.0 85.0 16 GLN CHI2 -295.0 -25.0 16 GLN PSI -53.0 -23.0 17 ALA PHI -83.0 -55.0 17 ALA PSI -51.0 -27.0 18 VAL PHI -73.0 -53.0 18 VAL CHI1 135.0 215.0 18 VAL PSI -55.0 -35.0 19 GLU- PHI -73.0 -53.0 19 GLU- CHI1 -185.0 -105.0 19 GLU- CHI2 -235.0 -75.0 19 GLU- CHI2 -165.0 145.0 19 GLU- PSI -51.0 -25.0 20 ALA PHI -83.0 -53.0 20 ALA PSI -53.0 -31.0 21 LEU PHI -73.0 -49.0 21 LEU CHI1 -125.0 -45.0 21 LEU CHI2 115.0 195.0 21 LEU PSI -59.0 -35.0 22 ALA PHI -77.0 -55.0 22 ALA PSI -47.0 -27.0 23 GLN PHI -75.0 -53.0 23 GLN CHI1 -95.0 -45.0 23 GLN CHI2 -165.0 -115.0 23 GLN PSI -53.0 -25.0 24 ALA PHI 45.0 315.0 24 ALA PHI -205.0 95.0 24 ALA PSI -85.0 75.0 25 ARG+ PHI 25.0 285.0 25 ARG+ PHI -155.0 85.0 25 ARG+ CHI1 -125.0 -5.0 25 ARG+ CHI2 -305.0 -45.0 25 ARG+ PSI 25.0 105.0 26 ALA PHI -325.0 -25.0 26 ALA PHI -205.0 95.0 26 ALA PSI -295.0 45.0 26 ALA PSI -145.0 135.0 27 GLY PHI 25.0 335.0 27 GLY PSI 115.0 245.0 28 ALA PHI -315.0 -35.0 28 ALA PHI -205.0 95.0 28 ALA PSI 145.0 195.0 29 PHE PHI -169.0 -79.0 29 PHE CHI1 -195.0 105.0 29 PHE PSI 115.0 189.0 30 PHE PHI -157.0 -75.0 30 PHE CHI1 -155.0 -5.0 30 PHE PSI 125.0 161.0 31 SER PHI -155.0 -57.0 31 SER PSI 105.0 149.0 32 VAL PHI -155.0 -73.0 32 VAL CHI1 125.0 225.0 32 VAL PSI 115.0 139.0 33 PHE PHI 25.0 335.0 33 PHE PHI -205.0 85.0 33 PHE PSI 5.0 225.0 33 PHE PSI -255.0 15.0 34 ILE PHI -155.0 -35.0 34 ILE CHI1 25.0 95.0 34 ILE CHI21 65.0 205.0 34 ILE PSI -65.0 35.0 35 ASP- PHI 25.0 335.0 35 ASP- PHI -195.0 75.0 35 ASP- PSI 25.0 205.0 36 ASP- PHI 25.0 335.0 36 ASP- PHI -215.0 95.0 36 ASP- PSI -105.0 125.0 37 ASP- PHI -325.0 -25.0 37 ASP- PHI -195.0 75.0 37 ASP- PSI 45.0 195.0 38 ALA PHI -69.0 -49.0 38 ALA PSI -49.0 -15.0 39 ALA PHI -75.0 -51.0 39 ALA PSI -53.0 -27.0 40 LEU PHI -79.0 -55.0 40 LEU CHI1 -335.0 -5.0 40 LEU CHI1 -285.0 45.0 40 LEU CHI1 -75.0 95.0 40 LEU CHI2 35.0 235.0 40 LEU CHI2 -295.0 55.0 40 LEU PSI -51.0 -31.0 41 GLU- PHI -77.0 -51.0 41 GLU- CHI1 -155.0 -35.0 41 GLU- CHI2 -335.0 -15.0 41 GLU- PSI -57.0 -25.0 42 SER PHI -73.0 -53.0 42 SER CHI1 -195.0 -105.0 42 SER PSI -55.0 -29.0 43 ALA PHI -85.0 -49.0 43 ALA PSI -59.0 -17.0 44 TYR PHI -205.0 -35.0 44 TYR CHI1 -225.0 85.0 44 TYR PSI -95.0 15.0 45 GLY PHI 25.0 335.0 45 GLY PHI -175.0 175.0 46 LEU PHI -145.0 -45.0 46 LEU CHI1 -185.0 5.0 46 LEU CHI2 -105.0 -25.0 46 LEU PSI -85.0 -5.0 47 ARG+ PHI -135.0 -25.0 47 ARG+ CHI1 -125.0 -25.0 47 ARG+ CHI2 85.0 275.0 47 ARG+ PSI -105.0 65.0 48 VAL PHI 35.0 325.0 48 VAL PHI -175.0 65.0 48 VAL CHI1 5.0 355.0 48 VAL CHI1 -235.0 115.0 48 VAL PSI -305.0 -45.0 48 VAL PSI -55.0 175.0 49 PRO PSI -315.0 15.0 49 PRO PSI -95.0 205.0 50 VAL PHI -147.0 -97.0 50 VAL CHI1 -235.0 -95.0 50 VAL PSI 121.0 169.0 51 LEU PHI -151.0 -75.0 51 LEU CHI1 -245.0 -65.0 51 LEU CHI2 -275.0 25.0 51 LEU CHI2 -35.0 255.0 51 LEU PSI 115.0 153.0 52 ARG+ PHI -151.0 -95.0 52 ARG+ CHI1 -215.0 105.0 52 ARG+ CHI2 15.0 335.0 52 ARG+ PSI 115.0 167.0 53 ASP- PHI -153.0 -49.0 53 ASP- CHI1 -165.0 165.0 53 ASP- PSI 105.0 171.0 54 PRO PSI -95.0 5.0 55 MET PHI -155.0 -35.0 55 MET CHI1 -335.0 5.0 55 MET CHI1 -125.0 105.0 55 MET CHI2 -285.0 -35.0 55 MET PSI -95.0 45.0 56 GLY PHI 25.0 335.0 56 GLY PSI -135.0 135.0 57 ARG+ PHI -315.0 -35.0 57 ARG+ PHI -205.0 85.0 57 ARG+ CHI1 -105.0 85.0 57 ARG+ CHI2 -325.0 -15.0 57 ARG+ CHI2 -305.0 45.0 57 ARG+ PSI 125.0 205.0 58 GLU- PHI -165.0 -95.0 58 GLU- CHI1 -105.0 105.0 58 GLU- CHI2 -325.0 -25.0 58 GLU- PSI 125.0 177.0 59 LEU PHI -137.0 -51.0 59 LEU CHI1 -245.0 -105.0 59 LEU CHI2 -235.0 105.0 59 LEU CHI2 -95.0 225.0 59 LEU CHI2 -35.0 295.0 59 LEU PSI 115.0 147.0 60 ASP- PHI -325.0 -25.0 60 ASP- PHI -185.0 45.0 60 ASP- CHI1 5.0 355.0 60 ASP- PSI 35.0 195.0 61 TRP PHI 35.0 325.0 61 TRP PHI -165.0 55.0 61 TRP CHI1 85.0 275.0 61 TRP CHI2 -155.0 155.0 61 TRP PSI -305.0 -45.0 61 TRP PSI -65.0 185.0 62 PRO PSI -315.0 15.0 62 PRO PSI -95.0 205.0 63 PHE PHI 25.0 335.0 63 PHE PHI -205.0 85.0 63 PHE CHI1 -175.0 105.0 63 PHE PSI 135.0 225.0 64 ASP- PHI 35.0 325.0 64 ASP- PHI -185.0 65.0 64 ASP- CHI1 -65.0 45.0 64 ASP- PSI -205.0 -145.0 65 ALA PHI -85.0 -45.0 65 ALA PSI -65.0 -45.0 66 PRO PSI -95.0 5.0 67 ARG+ PHI -83.0 -53.0 67 ARG+ CHI1 55.0 275.0 67 ARG+ CHI1 -145.0 75.0 67 ARG+ CHI2 35.0 325.0 67 ARG+ CHI2 -275.0 45.0 67 ARG+ PSI -59.0 -17.0 68 LEU PHI -79.0 -51.0 68 LEU CHI1 -295.0 -15.0 68 LEU PSI -51.0 -27.0 69 ARG+ PHI -73.0 -53.0 69 ARG+ CHI1 -205.0 -145.0 69 ARG+ CHI2 15.0 275.0 69 ARG+ PSI -53.0 -25.0 70 ALA PHI -75.0 -55.0 70 ALA PSI -51.0 -27.0 71 TRP PHI -75.0 -53.0 71 TRP CHI1 145.0 195.0 71 TRP CHI2 45.0 115.0 71 TRP PSI -59.0 -27.0 72 LEU PHI -73.0 -53.0 72 LEU CHI1 -95.0 -45.0 72 LEU CHI2 -255.0 -25.0 72 LEU CHI2 -125.0 175.0 72 LEU PSI -53.0 -35.0 73 ASP- PHI -81.0 -45.0 73 ASP- CHI1 -345.0 -5.0 73 ASP- CHI1 -235.0 105.0 73 ASP- PSI -61.0 -7.0 74 ALA PHI -205.0 -35.0 74 ALA PSI -105.0 -15.0 75 ALA PHI 25.0 335.0 75 ALA PHI -205.0 95.0 75 ALA PSI -305.0 -45.0 75 ALA PSI -65.0 195.0 76 PRO PSI -195.0 -155.0 77 HIS PHI 25.0 335.0 77 HIS PHI -205.0 95.0 77 HIS PSI -285.0 45.0 78 ALA PHI 25.0 335.0 78 ALA PHI -205.0 95.0 78 ALA PSI 35.0 195.0 79 LEU PHI -95.0 -45.0 79 LEU CHI1 -145.0 -85.0 79 LEU CHI2 15.0 95.0 79 LEU PSI -195.0 -155.0 80 GLU- PHI 35.0 295.0 80 GLU- PHI -155.0 55.0 80 GLU- CHI1 -105.0 95.0 80 GLU- CHI2 35.0 325.0 80 GLU- PSI -305.0 45.0 80 GLU- PSI -15.0 65.0 # Number of dimensions 3 #INAME 1 C13 #INAME 2 H #INAME 3 H1 2 58.756 3.819 3.819 2 U -1.061e+05 0.00e+00 e 0 3 4 4 0 3 58.756 1.966 3.819 2 U -2.114e+03 0.00e+00 e 0 3 6 4 0 4 58.756 2.205 3.819 2 U 4.900e+01 0.00e+00 e 0 3 7 4 0 5 58.756 2.194 3.819 2 U 6.000e+01 0.00e+00 e 0 3 10 4 0 6 58.756 2.319 3.819 2 U 8.600e+01 0.00e+00 e 0 3 11 4 0 7 58.756 8.290 3.819 2 U 4.700e+01 0.00e+00 e 0 3 20 4 0 8 30.634 3.819 1.966 2 U 9.860e+03 0.00e+00 e 0 5 4 6 0 9 30.634 1.966 1.966 2 U 1.502e+04 0.00e+00 e 0 5 6 6 0 10 30.634 2.205 1.966 2 U -1.700e+01 0.00e+00 e 0 5 7 6 0 11 30.634 2.194 1.966 2 U 1.430e+02 0.00e+00 e 0 5 10 6 0 12 30.634 2.319 1.966 2 U 4.400e+01 0.00e+00 e 0 5 11 6 0 13 30.634 8.290 1.966 2 U 4.830e+03 0.00e+00 e 0 5 20 6 0 14 30.634 3.819 2.205 2 U 1.110e+02 0.00e+00 e 0 5 4 7 0 15 30.634 1.966 2.205 2 U 6.870e+02 0.00e+00 e 0 5 6 7 0 16 30.634 2.205 2.205 2 U -1.270e+02 0.00e+00 e 0 5 7 7 0 17 30.634 2.194 2.205 2 U -1.090e+02 0.00e+00 e 0 5 10 7 0 18 30.634 2.319 2.205 2 U -5.780e+02 0.00e+00 e 0 5 11 7 0 19 30.634 8.290 2.205 2 U 1.700e+01 0.00e+00 e 0 5 20 7 0 20 36.000 3.819 2.194 2 U 3.010e+03 0.00e+00 e 0 9 4 10 0 21 36.000 1.966 2.194 2 U 7.112e+03 0.00e+00 e 0 9 6 10 0 22 36.000 2.205 2.194 2 U 6.304e+04 0.00e+00 e 0 9 7 10 0 23 36.000 2.194 2.194 2 U 6.563e+04 0.00e+00 e 0 9 10 10 0 24 36.000 2.319 2.194 2 U 5.410e+03 0.00e+00 e 0 9 11 10 0 25 36.000 8.290 2.194 2 U 2.097e+03 0.00e+00 e 0 9 20 10 0 26 36.000 3.819 2.319 2 U -6.000e+01 0.00e+00 e 0 9 4 11 0 27 36.000 1.966 2.319 2 U -1.267e+04 0.00e+00 e 0 9 6 11 0 28 36.000 2.205 2.319 2 U 1.747e+03 0.00e+00 e 0 9 7 11 0 29 36.000 2.194 2.319 2 U 1.979e+03 0.00e+00 e 0 9 10 11 0 30 36.000 2.319 2.319 2 U -2.365e+03 0.00e+00 e 0 9 11 11 0 31 36.000 8.290 2.319 2 U -2.390e+02 0.00e+00 e 0 9 20 11 0 32 51.637 8.290 3.905 2 U -1.940e+03 0.00e+00 e 0 21 20 22 0 33 51.637 3.905 3.905 2 U -7.220e+04 0.00e+00 e 0 21 22 22 0 34 51.637 1.207 3.905 2 U -2.092e+04 0.00e+00 e 0 21 23 22 0 35 51.637 8.100 3.905 2 U -8.805e+03 0.00e+00 e 0 21 30 22 0 36 19.690 8.290 1.207 2 U -3.010e+04 0.00e+00 e 0 24 20 23 0 37 19.690 3.905 1.207 2 U -4.099e+04 0.00e+00 e 0 24 22 23 0 38 19.690 1.207 1.207 2 U -9.450e+04 0.00e+00 e 0 24 23 23 0 39 19.690 8.100 1.207 2 U -7.328e+03 0.00e+00 e 0 24 30 23 0 40 26.768 8.100 1.835 2 U 2.542e+03 0.00e+00 e 0 37 30 38 0 41 26.768 1.835 1.835 2 U 5.840e+04 0.00e+00 e 0 37 38 38 0 42 26.768 0.820 1.835 2 U 1.270e+04 0.00e+00 e 0 37 39 38 0 43 26.768 0.875 1.835 2 U 6.460e+03 0.00e+00 e 0 37 40 38 0 44 26.768 8.794 1.835 2 U 5.307e+03 0.00e+00 e 0 37 52 38 0 45 26.140 8.100 0.820 2 U 1.126e+03 0.00e+00 e 0 41 30 39 0 46 26.140 1.835 0.820 2 U 5.150e+04 0.00e+00 e 0 41 38 39 0 47 26.140 0.820 0.820 2 U 9.540e+04 0.00e+00 e 0 41 39 39 0 48 26.140 0.875 0.820 2 U 9.000e+04 0.00e+00 e 0 41 40 39 0 49 26.140 8.794 0.820 2 U 6.638e+03 0.00e+00 e 0 41 52 39 0 50 23.693 8.100 0.875 2 U 8.130e+02 0.00e+00 e 0 45 30 40 0 51 23.693 1.835 0.875 2 U 5.950e+04 0.00e+00 e 0 45 38 40 0 52 23.693 0.820 0.875 2 U 9.630e+04 0.00e+00 e 0 45 39 40 0 53 23.693 0.875 0.875 2 U 7.000e+04 0.00e+00 e 0 45 40 40 0 54 23.693 8.794 0.875 2 U 4.658e+03 0.00e+00 e 0 45 52 40 0 55 62.696 8.794 4.755 2 U 1.560e+04 0.00e+00 e 0 53 52 54 0 56 62.696 4.755 4.755 2 U 1.912e+04 0.00e+00 e 0 53 54 54 0 57 62.696 3.625 4.755 2 U 1.510e+04 0.00e+00 e 0 53 56 54 0 58 62.696 0.274 4.755 2 U 1.430e+04 0.00e+00 e 0 53 57 54 0 59 62.696 9.001 4.755 2 U 1.370e+04 0.00e+00 e 0 53 65 54 0 60 70.766 8.794 3.625 2 U -1.278e+04 0.00e+00 e 0 55 52 56 0 61 70.766 4.755 3.625 2 U -6.743e+03 0.00e+00 e 0 55 54 56 0 62 70.766 3.625 3.625 2 U -1.020e+05 0.00e+00 e 0 55 56 56 0 63 70.766 0.274 3.625 2 U -4.084e+03 0.00e+00 e 0 55 57 56 0 64 70.766 9.001 3.625 2 U -1.790e+03 0.00e+00 e 0 55 65 56 0 65 20.927 8.794 0.274 2 U -8.065e+03 0.00e+00 e 0 59 52 57 0 66 20.927 4.755 0.274 2 U -2.536e+04 0.00e+00 e 0 59 54 57 0 67 20.927 3.625 0.274 2 U -2.680e+04 0.00e+00 e 0 59 56 57 0 68 20.927 0.274 0.274 2 U -8.687e+04 0.00e+00 e 0 59 57 57 0 69 20.927 9.001 0.274 2 U -4.732e+03 0.00e+00 e 0 59 65 57 0 70 52.749 9.001 4.885 2 U -7.890e+03 0.00e+00 e 0 66 65 67 0 71 52.749 4.885 4.885 2 U -3.186e+04 0.00e+00 e 0 66 67 67 0 72 52.749 0.598 4.885 2 U 4.980e+03 0.00e+00 e 0 66 69 67 0 73 52.749 1.750 4.885 2 U 7.680e+03 0.00e+00 e 0 66 70 67 0 74 52.749 0.947 4.885 2 U -3.398e+03 0.00e+00 e 0 66 73 67 0 75 52.749 0.374 4.885 2 U 1.400e+03 0.00e+00 e 0 66 74 67 0 76 52.749 0.583 4.885 2 U -3.500e+03 0.00e+00 e 0 66 75 67 0 77 52.749 9.328 4.885 2 U -1.240e+04 0.00e+00 e 0 66 87 67 0 78 43.824 9.001 0.598 2 U 1.822e+03 0.00e+00 e 0 68 65 69 0 79 43.824 4.885 0.598 2 U 6.604e+03 0.00e+00 e 0 68 67 69 0 80 43.824 0.598 0.598 2 U 1.434e+04 0.00e+00 e 0 68 69 69 0 81 43.824 1.750 0.598 2 U 6.220e+03 0.00e+00 e 0 68 70 69 0 82 43.824 0.947 0.598 2 U 3.315e+03 0.00e+00 e 0 68 73 69 0 83 43.824 0.374 0.598 2 U 1.490e+03 0.00e+00 e 0 68 74 69 0 84 43.824 0.583 0.598 2 U 2.300e+04 0.00e+00 e 0 68 75 69 0 86 43.824 9.001 1.750 2 U 1.345e+03 0.00e+00 e 0 68 65 70 0 87 43.824 4.885 1.750 2 U 2.170e+03 0.00e+00 e 0 68 67 70 0 88 43.824 0.598 1.750 2 U 8.413e+03 0.00e+00 e 0 68 69 70 0 89 43.824 1.750 1.750 2 U 2.530e+04 0.00e+00 e 0 68 70 70 0 90 43.824 0.947 1.750 2 U 3.990e+03 0.00e+00 e 0 68 73 70 0 91 43.824 0.374 1.750 2 U 9.120e+03 0.00e+00 e 0 68 74 70 0 92 43.824 0.583 1.750 2 U 1.360e+04 0.00e+00 e 0 68 75 70 0 96 27.643 0.598 0.947 2 U 4.113e+03 0.00e+00 e 0 72 69 73 0 97 27.643 1.750 0.947 2 U 6.740e+03 0.00e+00 e 0 72 70 73 0 98 27.643 0.947 0.947 2 U 3.300e+04 0.00e+00 e 0 72 73 73 0 99 27.643 0.374 0.947 2 U 5.220e+03 0.00e+00 e 0 72 74 73 0 100 27.643 0.583 0.947 2 U 4.040e+03 0.00e+00 e 0 72 75 73 0 102 26.744 9.001 0.374 2 U 4.729e+03 0.00e+00 e 0 76 65 74 0 103 26.744 4.885 0.374 2 U 5.020e+03 0.00e+00 e 0 76 67 74 0 104 26.744 0.598 0.374 2 U 1.261e+04 0.00e+00 e 0 76 69 74 0 105 26.744 1.750 0.374 2 U 3.650e+04 0.00e+00 e 0 76 70 74 0 106 26.744 0.947 0.374 2 U 2.800e+04 0.00e+00 e 0 76 73 74 0 107 26.744 0.374 0.374 2 U 8.060e+04 0.00e+00 e 0 76 74 74 0 108 26.744 0.583 0.374 2 U 1.370e+04 0.00e+00 e 0 76 75 74 0 109 26.744 9.328 0.374 2 U -3.700e+01 0.00e+00 e 0 76 87 74 0 110 23.251 9.001 0.583 2 U 1.262e+03 0.00e+00 e 0 80 65 75 0 111 23.251 4.885 0.583 2 U 1.527e+04 0.00e+00 e 0 80 67 75 0 112 23.251 0.598 0.583 2 U 7.640e+04 0.00e+00 e 0 80 69 75 0 113 23.251 1.750 0.583 2 U 1.510e+04 0.00e+00 e 0 80 70 75 0 114 23.251 0.947 0.583 2 U 3.720e+04 0.00e+00 e 0 80 73 75 0 115 23.251 0.374 0.583 2 U 5.000e+04 0.00e+00 e 0 80 74 75 0 116 23.251 0.583 0.583 2 U 8.000e+04 0.00e+00 e 0 80 75 75 0 117 23.251 9.328 0.583 2 U 1.220e+04 0.00e+00 e 0 80 87 75 0 118 58.103 9.328 4.756 2 U -4.556e+03 0.00e+00 e 0 88 87 89 0 119 58.103 4.756 4.756 2 U 2.230e+02 0.00e+00 e 0 88 89 89 0 120 58.103 1.996 4.756 2 U -2.497e+04 0.00e+00 e 0 88 91 89 0 121 58.103 2.337 4.756 2 U 2.445e+03 0.00e+00 e 0 88 92 89 0 122 58.103 8.513 4.756 2 U -3.848e+03 0.00e+00 e 0 88 110 89 0 123 38.643 9.328 1.996 2 U 3.100e+03 0.00e+00 e 0 90 87 91 0 124 38.643 4.756 1.996 2 U 8.740e+03 0.00e+00 e 0 90 89 91 0 125 38.643 1.996 1.996 2 U 5.680e+04 0.00e+00 e 0 90 91 91 0 126 38.643 2.337 1.996 2 U 5.500e+04 0.00e+00 e 0 90 92 91 0 127 38.643 8.513 1.996 2 U 2.320e+03 0.00e+00 e 0 90 110 91 0 128 38.643 9.328 2.337 2 U 3.930e+03 0.00e+00 e 0 90 87 92 0 129 38.643 4.756 2.337 2 U 8.870e+03 0.00e+00 e 0 90 89 92 0 130 38.643 1.996 2.337 2 U 2.130e+04 0.00e+00 e 0 90 91 92 0 131 38.643 2.337 2.337 2 U 4.040e+04 0.00e+00 e 0 90 92 92 0 134 34.831 1.706 1.706 2 U 1.480e+04 0.00e+00 e 0 117 118 118 0 137 34.831 1.706 1.712 2 U 2.360e+04 0.00e+00 e 0 117 118 119 0 138 34.831 1.712 1.712 2 U 1.250e+04 0.00e+00 e 0 117 119 119 0 139 27.409 1.378 1.378 2 U 7.400e+04 0.00e+00 e 0 135 136 136 0 140 27.409 1.452 1.378 2 U 1.140e+04 0.00e+00 e 0 135 137 136 0 141 27.409 3.038 1.378 2 U 4.260e+03 0.00e+00 e 0 135 140 136 0 142 27.409 3.102 1.378 2 U 2.840e+03 0.00e+00 e 0 135 141 136 0 143 27.409 1.378 1.452 2 U 3.840e+03 0.00e+00 e 0 135 136 137 0 144 27.409 1.452 1.452 2 U 6.750e+03 0.00e+00 e 0 135 137 137 0 145 27.409 3.038 1.452 2 U 3.820e+02 0.00e+00 e 0 135 140 137 0 146 27.409 3.102 1.452 2 U 1.120e+02 0.00e+00 e 0 135 141 137 0 147 43.080 1.378 3.038 2 U 7.062e+03 0.00e+00 e 0 139 136 140 0 148 43.080 1.452 3.038 2 U 2.484e+03 0.00e+00 e 0 139 137 140 0 149 43.080 3.038 3.038 2 U 5.478e+04 0.00e+00 e 0 139 140 140 0 150 43.080 3.102 3.038 2 U 4.672e+04 0.00e+00 e 0 139 141 140 0 151 43.080 1.378 3.102 2 U 1.352e+04 0.00e+00 e 0 139 136 141 0 152 43.080 1.452 3.102 2 U 1.971e+03 0.00e+00 e 0 139 137 141 0 153 43.080 3.038 3.102 2 U 9.770e+04 0.00e+00 e 0 139 140 141 0 154 43.080 3.102 3.102 2 U 1.840e+05 0.00e+00 e 0 139 141 141 0 155 55.883 4.288 4.288 2 U -4.133e+04 0.00e+00 e 0 155 156 156 0 156 55.883 2.362 4.288 2 U -1.730e+03 0.00e+00 e 0 155 158 156 0 157 55.883 2.307 4.288 2 U -5.220e+03 0.00e+00 e 0 155 159 156 0 158 55.883 8.315 4.288 2 U -4.110e+03 0.00e+00 e 0 155 165 156 0 159 40.777 4.288 2.362 2 U 2.220e+03 0.00e+00 e 0 157 156 158 0 160 40.777 2.362 2.362 2 U 2.440e+04 0.00e+00 e 0 157 158 158 0 161 40.777 2.307 2.362 2 U 7.240e+04 0.00e+00 e 0 157 159 158 0 163 40.777 4.288 2.307 2 U 7.548e+03 0.00e+00 e 0 157 156 159 0 164 40.777 2.362 2.307 2 U 8.441e+03 0.00e+00 e 0 157 158 159 0 165 40.777 2.307 2.307 2 U 6.172e+04 0.00e+00 e 0 157 159 159 0 166 40.777 8.315 2.307 2 U 1.445e+03 0.00e+00 e 0 157 165 159 0 167 54.133 8.315 4.199 2 U -2.710e+04 0.00e+00 e 0 166 165 167 0 168 54.133 4.199 4.199 2 U -4.400e+04 0.00e+00 e 0 166 167 167 0 169 54.133 2.284 4.199 2 U -9.856e+03 0.00e+00 e 0 166 169 167 0 170 54.133 2.247 4.199 2 U -8.328e+03 0.00e+00 e 0 166 170 167 0 171 54.133 8.018 4.199 2 U -3.951e+04 0.00e+00 e 0 166 176 167 0 172 39.517 8.315 2.284 2 U 1.706e+04 0.00e+00 e 0 168 165 169 0 173 39.517 4.199 2.284 2 U 3.615e+04 0.00e+00 e 0 168 167 169 0 174 39.517 2.284 2.309 2 U 5.012e+04 0.00e+00 e 0 168 169 169 0 175 39.517 2.247 2.284 2 U 4.333e+04 0.00e+00 e 0 168 170 169 0 177 39.517 8.315 2.247 2 U 1.426e+03 0.00e+00 e 0 168 165 170 0 178 39.517 4.199 2.247 2 U 3.390e+03 0.00e+00 e 0 168 167 170 0 179 39.517 2.284 2.247 2 U 3.633e+04 0.00e+00 e 0 168 169 170 0 180 39.517 2.247 2.247 2 U 3.190e+04 0.00e+00 e 0 168 170 170 0 182 26.522 8.658 1.189 2 U 3.908e+03 0.00e+00 e 0 210 203 211 0 183 26.522 1.189 1.189 2 U 9.860e+04 0.00e+00 e 0 210 211 211 0 184 26.522 0.522 1.189 2 U 1.990e+04 0.00e+00 e 0 210 212 211 0 185 26.522 0.516 1.189 2 U 2.200e+04 0.00e+00 e 0 210 213 211 0 187 24.587 8.658 0.522 2 U 1.590e+03 0.00e+00 e 0 214 203 212 0 188 24.587 1.189 0.522 2 U 6.870e+04 0.00e+00 e 0 214 211 212 0 189 24.587 0.522 0.522 2 U 6.780e+05 0.00e+00 e 0 214 212 212 0 190 24.587 0.516 0.522 2 U 7.400e+04 0.00e+00 e 0 214 213 212 0 192 21.917 8.658 0.516 2 U 5.080e+03 0.00e+00 e 0 218 203 213 0 193 21.917 1.189 0.516 2 U 7.690e+04 0.00e+00 e 0 218 211 213 0 194 21.917 0.522 0.516 2 U 9.400e+04 0.00e+00 e 0 218 212 213 0 195 21.917 0.516 0.516 2 U 2.880e+05 0.00e+00 e 0 218 213 213 0 197 57.371 7.586 4.166 2 U -2.170e+04 0.00e+00 e 0 236 235 237 0 198 57.371 4.166 4.166 2 U -8.180e+04 0.00e+00 e 0 236 237 237 0 199 57.371 2.545 4.166 2 U -2.240e+04 0.00e+00 e 0 236 239 237 0 200 57.371 2.615 4.166 2 U -3.420e+03 0.00e+00 e 0 236 240 237 0 201 57.371 7.394 4.166 2 U -7.380e+03 0.00e+00 e 0 236 246 237 0 202 39.555 7.586 2.545 2 U 6.140e+03 0.00e+00 e 0 238 235 239 0 203 39.555 4.166 2.545 2 U 3.150e+04 0.00e+00 e 0 238 237 239 0 204 39.555 2.545 2.545 2 U 1.670e+05 0.00e+00 e 0 238 239 239 0 205 39.555 2.615 2.545 2 U 1.870e+05 0.00e+00 e 0 238 240 239 0 206 39.555 7.394 2.545 2 U 4.610e+03 0.00e+00 e 0 238 246 239 0 207 39.555 7.586 2.615 2 U 1.410e+04 0.00e+00 e 0 238 235 240 0 208 39.555 4.166 2.615 2 U 1.270e+03 0.00e+00 e 0 238 237 240 0 209 39.555 2.545 2.615 2 U 1.710e+05 0.00e+00 e 0 238 239 240 0 210 39.555 2.615 2.615 2 U 3.790e+05 0.00e+00 e 0 238 240 240 0 211 39.555 7.394 2.615 2 U 8.040e+03 0.00e+00 e 0 238 246 240 0 212 58.794 7.394 3.921 2 U -1.820e+04 0.00e+00 e 0 247 246 248 0 213 58.794 3.921 3.921 2 U -5.872e+04 0.00e+00 e 0 247 248 248 0 214 58.794 2.000 3.921 2 U -1.482e+04 0.00e+00 e 0 247 250 248 0 215 58.794 2.083 3.921 2 U -3.100e+04 0.00e+00 e 0 247 251 248 0 216 58.794 2.200 3.921 2 U -8.700e+03 0.00e+00 e 0 247 254 248 0 217 58.794 2.335 3.921 2 U -1.110e+04 0.00e+00 e 0 247 255 248 0 218 58.794 7.834 3.921 2 U -4.980e+03 0.00e+00 e 0 247 264 248 0 219 29.402 7.394 2.000 2 U 9.530e+03 0.00e+00 e 0 249 246 250 0 220 29.402 3.921 2.000 2 U 2.725e+04 0.00e+00 e 0 249 248 250 0 221 29.402 2.000 2.000 2 U 5.883e+04 0.00e+00 e 0 249 250 250 0 222 29.402 2.083 2.000 2 U 9.407e+03 0.00e+00 e 0 249 251 250 0 223 29.402 2.200 2.000 2 U 1.860e+04 0.00e+00 e 0 249 254 250 0 224 29.402 2.335 2.000 2 U 1.240e+04 0.00e+00 e 0 249 255 250 0 225 29.402 7.834 2.000 2 U 6.800e+02 0.00e+00 e 0 249 264 250 0 226 29.402 7.394 2.083 2 U 6.400e+03 0.00e+00 e 0 249 246 251 0 227 29.402 3.921 2.083 2 U 2.340e+04 0.00e+00 e 0 249 248 251 0 228 29.402 2.000 2.083 2 U 1.500e+04 0.00e+00 e 0 249 250 251 0 229 29.402 2.083 2.083 2 U 1.622e+04 0.00e+00 e 0 249 251 251 0 230 29.402 2.200 2.083 2 U 1.740e+04 0.00e+00 e 0 249 254 251 0 231 29.402 2.335 2.083 2 U 1.170e+04 0.00e+00 e 0 249 255 251 0 232 29.402 7.834 2.083 2 U 1.087e+03 0.00e+00 e 0 249 264 251 0 233 34.893 7.394 2.200 2 U 9.300e+03 0.00e+00 e 0 253 246 254 0 234 34.893 3.921 2.200 2 U 1.040e+04 0.00e+00 e 0 253 248 254 0 235 34.893 2.000 2.200 2 U 1.010e+04 0.00e+00 e 0 253 250 254 0 236 34.893 2.083 2.200 2 U 2.340e+04 0.00e+00 e 0 253 251 254 0 237 34.893 2.200 2.200 2 U 3.831e+04 0.00e+00 e 0 253 254 254 0 238 34.893 2.335 2.200 2 U 8.800e+04 0.00e+00 e 0 253 255 254 0 239 34.893 7.834 2.200 2 U 8.500e+02 0.00e+00 e 0 253 264 254 0 240 34.893 7.394 2.335 2 U 1.080e+04 0.00e+00 e 0 253 246 255 0 241 34.893 3.921 2.335 2 U 8.400e+03 0.00e+00 e 0 253 248 255 0 242 34.893 2.000 2.335 2 U 2.060e+04 0.00e+00 e 0 253 250 255 0 243 34.893 2.083 2.335 2 U 1.540e+04 0.00e+00 e 0 253 251 255 0 244 34.893 2.200 2.335 2 U 1.320e+05 0.00e+00 e 0 253 254 255 0 245 34.893 2.335 2.335 2 U 1.180e+05 0.00e+00 e 0 253 255 255 0 246 34.893 7.834 2.335 2 U 9.630e+02 0.00e+00 e 0 253 264 255 0 247 55.267 7.834 3.927 2 U -2.240e+04 0.00e+00 e 0 265 264 266 0 248 55.267 3.927 3.927 2 U -3.649e+04 0.00e+00 e 0 265 266 266 0 249 55.267 1.185 3.927 2 U -3.210e+04 0.00e+00 e 0 265 267 266 0 250 55.267 7.697 3.927 2 U -4.100e+03 0.00e+00 e 0 265 274 266 0 251 18.721 7.834 1.185 2 U -2.370e+04 0.00e+00 e 0 268 264 267 0 252 18.721 3.927 1.185 2 U -3.700e+04 0.00e+00 e 0 268 266 267 0 253 18.721 1.185 1.185 2 U -8.680e+04 0.00e+00 e 0 268 267 267 0 254 18.721 7.697 1.185 2 U -2.110e+04 0.00e+00 e 0 268 274 267 0 255 67.077 7.697 3.213 2 U -1.532e+04 0.00e+00 e 0 275 274 276 0 256 67.077 3.213 3.213 2 U -3.917e+04 0.00e+00 e 0 275 276 276 0 257 67.077 2.076 3.213 2 U -1.360e+04 0.00e+00 e 0 275 278 276 0 258 67.077 0.916 3.213 2 U -2.830e+04 0.00e+00 e 0 275 279 276 0 259 67.077 0.866 3.213 2 U -3.370e+04 0.00e+00 e 0 275 280 276 0 260 67.077 7.431 3.213 2 U -5.190e+03 0.00e+00 e 0 275 292 276 0 261 31.682 7.697 2.076 2 U 3.100e+04 0.00e+00 e 0 277 274 278 0 262 31.682 3.213 2.076 2 U 5.150e+03 0.00e+00 e 0 277 276 278 0 263 31.682 2.076 2.076 2 U 9.100e+04 0.00e+00 e 0 277 278 278 0 264 31.682 0.916 2.076 2 U 1.710e+04 0.00e+00 e 0 277 279 278 0 265 31.682 0.866 2.076 2 U 4.700e+04 0.00e+00 e 0 277 280 278 0 266 31.682 7.431 2.076 2 U 1.200e+04 0.00e+00 e 0 277 292 278 0 267 21.181 7.697 0.916 2 U -9.445e+03 0.00e+00 e 0 281 274 279 0 268 21.181 3.213 0.916 2 U -5.451e+04 0.00e+00 e 0 281 276 279 0 269 21.181 2.076 0.916 2 U -6.741e+04 0.00e+00 e 0 281 278 279 0 270 21.181 0.916 0.916 2 U -7.900e+04 0.00e+00 e 0 281 279 279 0 271 21.181 0.866 0.916 2 U -6.120e+04 0.00e+00 e 0 281 280 279 0 272 21.181 7.431 0.916 2 U -5.820e+03 0.00e+00 e 0 281 292 279 0 273 23.116 7.697 0.866 2 U 3.160e+04 0.00e+00 e 0 285 274 280 0 274 23.116 3.213 0.866 2 U 4.652e+04 0.00e+00 e 0 285 276 280 0 275 23.116 2.076 0.866 2 U 4.810e+04 0.00e+00 e 0 285 278 280 0 276 23.116 0.916 0.866 2 U 6.837e+04 0.00e+00 e 0 285 279 280 0 277 23.116 0.866 0.866 2 U 7.996e+04 0.00e+00 e 0 285 280 280 0 278 23.116 7.431 0.866 2 U 4.000e+03 0.00e+00 e 0 285 292 280 0 279 58.748 7.431 4.075 2 U -2.130e+04 0.00e+00 e 0 293 292 294 0 280 58.748 4.075 4.075 2 U -8.600e+04 0.00e+00 e 0 293 294 294 0 281 58.748 1.986 4.075 2 U -8.214e+03 0.00e+00 e 0 293 296 294 0 282 58.748 1.955 4.075 2 U -7.839e+03 0.00e+00 e 0 293 297 294 0 283 58.748 2.246 4.075 2 U -5.180e+03 0.00e+00 e 0 293 300 294 0 284 58.748 2.155 4.075 2 U -2.950e+04 0.00e+00 e 0 293 301 294 0 285 58.748 8.059 4.075 2 U -2.718e+03 0.00e+00 e 0 293 307 294 0 286 29.070 7.431 1.986 2 U 2.830e+04 0.00e+00 e 0 295 292 296 0 287 29.070 4.075 1.986 2 U 3.002e+04 0.00e+00 e 0 295 294 296 0 288 29.070 1.986 1.986 2 U 8.790e+04 0.00e+00 e 0 295 296 296 0 289 29.070 1.955 1.986 2 U 7.400e+04 0.00e+00 e 0 295 297 296 0 290 29.070 2.246 1.986 2 U 3.060e+04 0.00e+00 e 0 295 300 296 0 291 29.070 2.155 1.986 2 U 2.860e+04 0.00e+00 e 0 295 301 296 0 292 29.070 8.059 1.986 2 U 5.345e+03 0.00e+00 e 0 295 307 296 0 293 29.070 7.431 1.955 2 U 2.200e+04 0.00e+00 e 0 295 292 297 0 294 29.070 4.075 1.955 2 U 3.281e+04 0.00e+00 e 0 295 294 297 0 295 29.070 1.986 1.955 2 U 1.860e+05 0.00e+00 e 0 295 296 297 0 296 29.070 1.955 1.955 2 U 1.452e+05 0.00e+00 e 0 295 297 297 0 297 29.070 2.246 1.955 2 U 1.710e+04 0.00e+00 e 0 295 300 297 0 298 29.070 2.155 1.955 2 U 3.040e+04 0.00e+00 e 0 295 301 297 0 299 29.070 8.059 1.955 2 U 2.226e+03 0.00e+00 e 0 295 307 297 0 300 35.809 7.431 2.246 2 U 8.840e+03 0.00e+00 e 0 299 292 300 0 301 35.809 4.075 2.246 2 U 2.400e+04 0.00e+00 e 0 299 294 300 0 302 35.809 1.986 2.246 2 U 4.420e+04 0.00e+00 e 0 299 296 300 0 303 35.809 1.955 2.246 2 U 4.390e+04 0.00e+00 e 0 299 297 300 0 304 35.809 2.246 2.246 2 U 8.000e+04 0.00e+00 e 0 299 300 300 0 305 35.809 2.155 2.246 2 U 7.000e+04 0.00e+00 e 0 299 301 300 0 306 35.809 8.059 2.246 2 U 1.853e+03 0.00e+00 e 0 299 307 300 0 307 35.809 7.431 2.155 2 U 7.520e+03 0.00e+00 e 0 299 292 301 0 308 35.809 4.075 2.155 2 U 1.480e+04 0.00e+00 e 0 299 294 301 0 309 35.809 1.986 2.155 2 U 1.884e+04 0.00e+00 e 0 299 296 301 0 310 35.809 1.955 2.155 2 U 2.766e+04 0.00e+00 e 0 299 297 301 0 311 35.809 2.246 2.155 2 U 9.798e+04 0.00e+00 e 0 299 300 301 0 312 35.809 2.155 2.155 2 U 8.000e+04 0.00e+00 e 0 299 301 301 0 313 35.809 8.059 2.155 2 U 1.590e+03 0.00e+00 e 0 299 307 301 0 314 55.239 8.059 4.085 2 U -1.250e+04 0.00e+00 e 0 308 307 309 0 315 55.239 4.085 4.088 2 U -1.150e+05 0.00e+00 e 0 308 309 309 0 316 55.239 1.431 4.085 2 U -1.538e+04 0.00e+00 e 0 308 310 309 0 317 55.239 7.886 4.085 2 U -6.460e+03 0.00e+00 e 0 308 317 309 0 318 17.056 8.059 1.431 2 U -5.040e+04 0.00e+00 e 0 311 307 310 0 319 17.056 4.085 1.431 2 U -1.070e+05 0.00e+00 e 0 311 309 310 0 320 17.056 1.431 1.431 2 U -8.988e+04 0.00e+00 e 0 311 310 310 0 321 17.056 7.886 1.431 2 U -2.600e+04 0.00e+00 e 0 311 317 310 0 322 58.797 7.886 3.514 2 U -5.635e+03 0.00e+00 e 0 318 317 319 0 323 58.797 3.514 3.514 2 U -9.400e+04 0.00e+00 e 0 318 319 319 0 324 58.797 1.147 3.514 2 U -2.007e+04 0.00e+00 e 0 318 321 319 0 325 58.797 1.641 3.514 2 U -4.980e+03 0.00e+00 e 0 318 322 319 0 326 58.797 1.255 3.514 2 U -3.420e+04 0.00e+00 e 0 318 325 319 0 327 58.797 -0.193 3.514 2 U -4.110e+03 0.00e+00 e 0 318 326 319 0 328 58.797 0.330 3.514 2 U -1.640e+04 0.00e+00 e 0 318 327 319 0 329 58.797 7.396 3.514 2 U -2.740e+03 0.00e+00 e 0 318 339 319 0 330 41.141 7.886 1.147 2 U 4.408e+03 0.00e+00 e 0 320 317 321 0 331 41.141 3.514 1.147 2 U 7.600e+03 0.00e+00 e 0 320 319 321 0 332 41.141 1.147 1.147 2 U 1.100e+05 0.00e+00 e 0 320 321 321 0 333 41.141 1.641 1.147 2 U 6.015e+04 0.00e+00 e 0 320 322 321 0 334 41.141 1.255 1.147 2 U 2.900e+04 0.00e+00 e 0 320 325 321 0 335 41.141 -0.193 1.147 2 U 9.930e+03 0.00e+00 e 0 320 326 321 0 336 41.141 0.330 1.147 2 U 1.180e+04 0.00e+00 e 0 320 327 321 0 337 41.141 7.396 1.147 2 U 4.250e+03 0.00e+00 e 0 320 339 321 0 338 41.141 7.886 1.641 2 U 4.476e+03 0.00e+00 e 0 320 317 322 0 339 41.141 3.514 1.641 2 U 8.650e+03 0.00e+00 e 0 320 319 322 0 340 41.141 1.147 1.641 2 U 4.310e+04 0.00e+00 e 0 320 321 322 0 341 41.141 1.641 1.641 2 U 6.954e+04 0.00e+00 e 0 320 322 322 0 342 41.141 1.255 1.641 2 U 2.370e+04 0.00e+00 e 0 320 325 322 0 343 41.141 -0.193 1.641 2 U 1.370e+04 0.00e+00 e 0 320 326 322 0 344 41.141 0.330 1.641 2 U 7.480e+03 0.00e+00 e 0 320 327 322 0 345 41.141 7.396 1.641 2 U 5.850e+03 0.00e+00 e 0 320 339 322 0 346 27.745 7.886 1.255 2 U 9.089e+03 0.00e+00 e 0 324 317 325 0 347 27.745 3.514 1.255 2 U 3.450e+04 0.00e+00 e 0 324 319 325 0 348 27.745 1.147 1.255 2 U 3.280e+04 0.00e+00 e 0 324 321 325 0 349 27.745 1.641 1.255 2 U 2.410e+04 0.00e+00 e 0 324 322 325 0 350 27.745 1.255 1.255 2 U 4.730e+04 0.00e+00 e 0 324 325 325 0 351 27.745 -0.193 1.255 2 U 2.560e+04 0.00e+00 e 0 324 326 325 0 352 27.745 0.330 1.255 2 U 2.410e+04 0.00e+00 e 0 324 327 325 0 353 27.745 7.396 1.255 2 U 1.740e+03 0.00e+00 e 0 324 339 325 0 354 24.942 7.886 -0.193 2 U 1.009e+04 0.00e+00 e 0 328 317 326 0 355 24.942 3.514 -0.193 2 U 1.500e+04 0.00e+00 e 0 328 319 326 0 356 24.942 1.147 -0.193 2 U 4.420e+04 0.00e+00 e 0 328 321 326 0 357 24.942 1.641 -0.193 2 U 1.990e+04 0.00e+00 e 0 328 322 326 0 358 24.942 1.255 -0.193 2 U 3.560e+04 0.00e+00 e 0 328 325 326 0 359 24.942 -0.193 -0.193 2 U 9.000e+04 0.00e+00 e 0 328 326 326 0 360 24.942 0.330 -0.193 2 U 2.818e+04 0.00e+00 e 0 328 327 326 0 361 24.942 7.396 -0.193 2 U 2.750e+03 0.00e+00 e 0 328 339 326 0 362 25.141 7.886 0.330 2 U 8.379e+03 0.00e+00 e 0 332 317 327 0 363 25.141 3.514 0.330 2 U 5.990e+04 0.00e+00 e 0 332 319 327 0 364 25.141 1.147 0.330 2 U 2.936e+04 0.00e+00 e 0 332 321 327 0 365 25.141 1.641 0.330 2 U 2.230e+04 0.00e+00 e 0 332 322 327 0 366 25.141 1.255 0.330 2 U 5.520e+04 0.00e+00 e 0 332 325 327 0 367 25.141 -0.193 0.330 2 U 2.028e+04 0.00e+00 e 0 332 326 327 0 368 25.141 0.330 0.330 2 U 1.132e+05 0.00e+00 e 0 332 327 327 0 369 25.141 7.396 0.330 2 U 1.570e+03 0.00e+00 e 0 332 339 327 0 370 54.847 7.396 4.101 2 U -9.980e+03 0.00e+00 e 0 340 339 341 0 371 54.847 4.101 4.101 2 U -9.710e+04 0.00e+00 e 0 340 341 341 0 372 54.847 1.480 4.101 2 U -5.370e+04 0.00e+00 e 0 340 342 341 0 373 54.847 8.531 4.101 2 U -7.600e+03 0.00e+00 e 0 340 349 341 0 374 17.788 7.396 1.480 2 U -7.060e+04 0.00e+00 e 0 343 339 342 0 375 17.788 4.101 1.480 2 U -7.300e+04 0.00e+00 e 0 343 341 342 0 376 17.788 1.480 1.480 2 U -7.500e+04 0.00e+00 e 0 343 342 342 0 377 17.788 8.531 1.480 2 U -3.430e+04 0.00e+00 e 0 343 349 342 0 378 58.333 8.531 3.902 2 U -2.580e+04 0.00e+00 e 0 350 349 351 0 379 58.333 3.902 3.902 2 U -8.500e+04 0.00e+00 e 0 350 351 351 0 380 58.333 1.957 3.902 2 U -4.790e+04 0.00e+00 e 0 350 353 351 0 381 58.333 2.083 3.902 2 U -1.970e+04 0.00e+00 e 0 350 354 351 0 382 58.333 2.330 3.902 2 U -2.600e+04 0.00e+00 e 0 350 357 351 0 383 58.333 2.484 3.902 2 U -2.100e+04 0.00e+00 e 0 350 358 351 0 384 58.333 8.251 3.902 2 U -6.506e+03 0.00e+00 e 0 350 367 351 0 385 28.648 8.531 1.957 2 U 1.220e+04 0.00e+00 e 0 352 349 353 0 386 28.648 3.902 1.957 2 U 2.180e+04 0.00e+00 e 0 352 351 353 0 387 28.648 1.957 1.957 2 U 7.481e+04 0.00e+00 e 0 352 353 353 0 388 28.648 2.083 1.957 2 U 7.584e+04 0.00e+00 e 0 352 354 353 0 389 28.648 2.330 1.957 2 U 4.621e+04 0.00e+00 e 0 352 357 353 0 390 28.648 2.484 1.957 2 U 1.560e+04 0.00e+00 e 0 352 358 353 0 391 28.648 8.251 1.957 2 U 7.862e+03 0.00e+00 e 0 352 367 353 0 392 28.648 8.531 2.083 2 U 1.490e+04 0.00e+00 e 0 352 349 354 0 393 28.648 3.902 2.083 2 U 9.600e+03 0.00e+00 e 0 352 351 354 0 394 28.648 1.957 2.083 2 U 3.000e+04 0.00e+00 e 0 352 353 354 0 395 28.648 2.083 2.083 2 U 2.237e+04 0.00e+00 e 0 352 354 354 0 396 28.648 2.330 2.083 2 U 2.190e+04 0.00e+00 e 0 352 357 354 0 397 28.648 2.484 2.083 2 U 1.230e+04 0.00e+00 e 0 352 358 354 0 398 28.648 8.251 2.083 2 U 7.380e+03 0.00e+00 e 0 352 367 354 0 399 33.509 8.531 2.330 2 U 1.100e+04 0.00e+00 e 0 356 349 357 0 400 33.509 3.902 2.330 2 U 1.600e+04 0.00e+00 e 0 356 351 357 0 401 33.509 1.957 2.330 2 U 2.570e+04 0.00e+00 e 0 356 353 357 0 402 33.509 2.083 2.330 2 U 2.720e+04 0.00e+00 e 0 356 354 357 0 403 33.509 2.330 2.330 2 U 8.016e+04 0.00e+00 e 0 356 357 357 0 404 33.509 2.484 2.330 2 U 5.348e+04 0.00e+00 e 0 356 358 357 0 405 33.509 8.251 2.330 2 U 1.590e+03 0.00e+00 e 0 356 367 357 0 406 33.509 8.531 2.484 2 U 1.209e+04 0.00e+00 e 0 356 349 358 0 407 33.509 3.902 2.484 2 U 1.470e+04 0.00e+00 e 0 356 351 358 0 408 33.509 1.957 2.484 2 U 4.010e+04 0.00e+00 e 0 356 353 358 0 409 33.509 2.083 2.484 2 U 4.700e+04 0.00e+00 e 0 356 354 358 0 410 33.509 2.330 2.484 2 U 5.626e+04 0.00e+00 e 0 356 357 358 0 411 33.509 2.484 2.484 2 U 9.100e+04 0.00e+00 e 0 356 358 358 0 412 33.509 8.251 2.484 2 U 1.875e+03 0.00e+00 e 0 356 367 358 0 413 51.854 8.251 4.140 2 U -3.074e+04 0.00e+00 e 0 368 367 369 0 414 51.854 4.140 4.140 2 U -9.988e+04 0.00e+00 e 0 368 369 369 0 415 51.854 1.316 4.140 2 U -1.886e+04 0.00e+00 e 0 368 370 369 0 416 51.854 7.774 4.140 2 U -9.880e+03 0.00e+00 e 0 368 377 369 0 417 19.359 8.251 1.316 2 U -5.101e+04 0.00e+00 e 0 371 367 370 0 418 19.359 4.140 1.316 2 U -6.170e+04 0.00e+00 e 0 371 369 370 0 419 19.359 1.316 1.316 2 U -7.578e+04 0.00e+00 e 0 371 370 370 0 420 19.359 7.774 1.316 2 U -1.788e+04 0.00e+00 e 0 371 377 370 0 421 56.259 7.774 3.884 2 U -1.930e+04 0.00e+00 e 0 378 377 379 0 422 56.259 3.884 3.884 2 U -5.354e+04 0.00e+00 e 0 378 379 379 0 423 56.259 1.711 3.884 2 U -2.810e+04 0.00e+00 e 0 378 381 379 0 424 56.259 1.898 3.884 2 U -1.690e+04 0.00e+00 e 0 378 382 379 0 425 56.259 1.446 3.884 2 U -9.510e+03 0.00e+00 e 0 378 385 379 0 426 56.259 1.437 3.884 2 U -3.720e+03 0.00e+00 e 0 378 386 379 0 427 56.259 3.075 3.884 2 U -1.614e+03 0.00e+00 e 0 378 389 379 0 428 56.259 3.083 3.884 2 U -9.350e+02 0.00e+00 e 0 378 390 379 0 429 56.259 7.760 3.884 2 U -1.975e+04 0.00e+00 e 0 378 403 379 0 430 26.134 7.774 1.711 2 U 1.130e+03 0.00e+00 e 0 380 377 381 0 431 26.134 3.884 1.711 2 U 1.380e+04 0.00e+00 e 0 380 379 381 0 432 26.134 1.711 1.711 2 U 2.250e+04 0.00e+00 e 0 380 381 381 0 433 26.134 1.898 1.711 2 U 8.760e+04 0.00e+00 e 0 380 382 381 0 434 26.134 1.446 1.711 2 U 3.402e+03 0.00e+00 e 0 380 385 381 0 435 26.134 1.437 1.711 2 U 4.186e+03 0.00e+00 e 0 380 386 381 0 436 26.134 3.075 1.711 2 U 2.255e+03 0.00e+00 e 0 380 389 381 0 437 26.134 3.083 1.711 2 U 2.255e+03 0.00e+00 e 0 380 390 381 0 438 26.134 7.760 1.711 2 U 6.900e+02 0.00e+00 e 0 380 403 381 0 439 26.134 7.774 1.898 2 U 2.370e+03 0.00e+00 e 0 380 377 382 0 440 26.134 3.884 1.898 2 U 1.070e+04 0.00e+00 e 0 380 379 382 0 441 26.134 1.711 1.898 2 U 1.759e+04 0.00e+00 e 0 380 381 382 0 442 26.134 1.898 1.898 2 U 3.304e+04 0.00e+00 e 0 380 382 382 0 443 26.134 1.446 1.898 2 U 3.169e+03 0.00e+00 e 0 380 385 382 0 444 26.134 1.437 1.898 2 U 2.896e+03 0.00e+00 e 0 380 386 382 0 445 26.134 3.075 1.898 2 U 5.620e+03 0.00e+00 e 0 380 389 382 0 446 26.134 3.083 1.898 2 U 3.920e+03 0.00e+00 e 0 380 390 382 0 447 26.134 7.760 1.898 2 U 6.600e+02 0.00e+00 e 0 380 403 382 0 448 27.343 7.774 1.446 2 U 2.080e+03 0.00e+00 e 0 384 377 385 0 449 27.343 3.884 1.446 2 U 3.410e+04 0.00e+00 e 0 384 379 385 0 450 27.343 1.711 1.446 2 U 3.880e+04 0.00e+00 e 0 384 381 385 0 451 27.343 1.898 1.446 2 U 3.670e+04 0.00e+00 e 0 384 382 385 0 452 27.343 1.446 1.446 2 U 9.620e+04 0.00e+00 e 0 384 385 385 0 453 27.343 1.437 1.446 2 U 9.920e+04 0.00e+00 e 0 384 386 385 0 456 27.343 7.760 1.446 2 U 5.800e+02 0.00e+00 e 0 384 403 385 0 459 27.343 1.711 1.437 2 U 3.680e+04 0.00e+00 e 0 384 381 386 0 460 27.343 1.898 1.437 2 U 3.070e+04 0.00e+00 e 0 384 382 386 0 463 27.343 3.075 1.437 2 U 5.069e+03 0.00e+00 e 0 384 389 386 0 464 27.343 3.083 1.437 2 U 4.942e+03 0.00e+00 e 0 384 390 386 0 466 43.422 7.774 3.075 2 U 2.683e+03 0.00e+00 e 0 388 377 389 0 467 43.422 3.884 3.075 2 U 3.345e+03 0.00e+00 e 0 388 379 389 0 468 43.422 1.711 3.075 2 U 7.851e+03 0.00e+00 e 0 388 381 389 0 469 43.422 1.898 3.075 2 U 2.810e+04 0.00e+00 e 0 388 382 389 0 470 43.422 1.446 3.075 2 U 2.571e+04 0.00e+00 e 0 388 385 389 0 471 43.422 1.437 3.075 2 U 4.072e+04 0.00e+00 e 0 388 386 389 0 472 43.422 3.075 3.075 2 U 8.720e+04 0.00e+00 e 0 388 389 389 0 473 43.422 3.083 3.075 2 U 8.340e+04 0.00e+00 e 0 388 390 389 0 474 43.422 7.760 3.075 2 U 2.510e+03 0.00e+00 e 0 388 403 389 0 477 43.422 1.711 3.083 2 U 2.370e+04 0.00e+00 e 0 388 381 390 0 478 43.422 1.898 3.083 2 U 2.830e+04 0.00e+00 e 0 388 382 390 0 484 53.479 7.760 3.767 2 U -2.810e+04 0.00e+00 e 0 404 403 405 0 485 53.479 3.767 3.767 2 U -9.500e+04 0.00e+00 e 0 404 405 405 0 486 53.479 1.163 3.767 2 U -5.710e+04 0.00e+00 e 0 404 406 405 0 487 53.479 8.221 3.767 2 U -9.071e+03 0.00e+00 e 0 404 413 405 0 488 20.855 7.760 1.163 2 U -7.270e+04 0.00e+00 e 0 407 403 406 0 489 20.855 3.767 1.163 2 U -8.950e+04 0.00e+00 e 0 407 405 406 0 490 20.855 1.163 1.163 2 U -9.220e+04 0.00e+00 e 0 407 406 406 0 491 20.855 8.221 1.163 2 U -1.710e+04 0.00e+00 e 0 407 413 406 0 492 43.684 8.221 4.034 2 U 7.200e+03 0.00e+00 e 0 414 413 415 0 493 43.684 4.034 4.040 2 U 2.890e+04 0.00e+00 e 0 414 415 415 0 494 43.684 3.526 4.034 2 U 2.320e+04 0.00e+00 e 0 414 416 415 0 495 43.684 8.043 4.034 2 U 8.067e+03 0.00e+00 e 0 414 420 415 0 496 43.684 8.221 3.526 2 U 3.600e+03 0.00e+00 e 0 414 413 416 0 497 43.684 4.034 3.526 2 U 2.606e+04 0.00e+00 e 0 414 415 416 0 498 43.684 3.526 3.526 2 U 3.136e+04 0.00e+00 e 0 414 416 416 0 499 43.684 8.043 3.526 2 U 7.521e+03 0.00e+00 e 0 414 420 416 0 500 52.593 8.043 4.000 2 U -1.600e+04 0.00e+00 e 0 421 420 422 0 501 52.593 4.000 4.000 2 U -5.690e+04 0.00e+00 e 0 421 422 422 0 502 52.593 1.088 4.000 2 U -6.360e+04 0.00e+00 e 0 421 423 422 0 503 52.593 7.803 4.000 2 U -5.160e+04 0.00e+00 e 0 421 430 422 0 504 19.068 8.043 1.088 2 U -2.131e+04 0.00e+00 e 0 424 420 423 0 505 19.068 4.000 1.088 2 U -1.847e+04 0.00e+00 e 0 424 422 423 0 506 19.068 1.088 1.088 2 U -9.940e+04 0.00e+00 e 0 424 423 423 0 507 19.068 7.803 1.088 2 U -3.280e+04 0.00e+00 e 0 424 430 423 0 508 54.708 7.803 5.093 2 U -2.470e+03 0.00e+00 e 0 431 430 432 0 509 54.708 5.093 5.093 2 U -1.180e+05 0.00e+00 e 0 431 432 432 0 510 54.708 2.428 5.093 2 U -1.110e+04 0.00e+00 e 0 431 434 432 0 511 54.708 2.630 5.093 2 U -1.140e+04 0.00e+00 e 0 431 435 432 0 512 54.708 8.834 5.093 2 U -5.100e+03 0.00e+00 e 0 431 453 432 0 513 41.961 7.803 2.428 2 U 5.790e+02 0.00e+00 e 0 433 430 434 0 514 41.961 5.093 2.428 2 U 6.670e+03 0.00e+00 e 0 433 432 434 0 515 41.961 2.428 2.428 2 U 8.060e+04 0.00e+00 e 0 433 434 434 0 516 41.961 2.630 2.428 2 U 2.970e+04 0.00e+00 e 0 433 435 434 0 517 41.961 8.834 2.428 2 U 1.480e+03 0.00e+00 e 0 433 453 434 0 518 41.961 7.803 2.630 2 U 1.910e+03 0.00e+00 e 0 433 430 435 0 519 41.961 5.093 2.630 2 U 9.910e+03 0.00e+00 e 0 433 432 435 0 520 41.961 2.428 2.630 2 U 2.740e+04 0.00e+00 e 0 433 434 435 0 521 41.961 2.630 2.630 2 U 8.480e+04 0.00e+00 e 0 433 435 435 0 522 41.961 8.834 2.630 2 U 9.150e+03 0.00e+00 e 0 433 453 435 0 523 56.057 8.834 4.560 2 U -6.210e+03 0.00e+00 e 0 454 453 455 0 524 56.057 4.560 4.560 2 U -2.200e+05 0.00e+00 e 0 454 455 455 0 525 56.057 2.734 4.560 2 U -9.770e+03 0.00e+00 e 0 454 457 455 0 526 56.057 2.893 4.560 2 U -1.060e+04 0.00e+00 e 0 454 458 455 0 527 56.057 8.646 4.560 2 U -3.820e+04 0.00e+00 e 0 454 476 455 0 528 40.706 8.834 2.734 2 U 8.010e+03 0.00e+00 e 0 456 453 457 0 529 40.706 4.560 2.734 2 U 9.680e+03 0.00e+00 e 0 456 455 457 0 530 40.706 2.734 2.734 2 U 2.060e+05 0.00e+00 e 0 456 457 457 0 531 40.706 2.893 2.734 2 U 8.360e+04 0.00e+00 e 0 456 458 457 0 532 40.706 8.646 2.734 2 U 3.810e+03 0.00e+00 e 0 456 476 457 0 533 40.706 8.834 2.893 2 U 6.340e+03 0.00e+00 e 0 456 453 458 0 534 40.706 4.560 2.893 2 U 3.760e+04 0.00e+00 e 0 456 455 458 0 535 40.706 2.734 2.893 2 U 2.020e+05 0.00e+00 e 0 456 457 458 0 536 40.706 2.893 2.893 2 U 4.580e+05 0.00e+00 e 0 456 458 458 0 537 40.706 8.646 2.893 2 U 9.820e+03 0.00e+00 e 0 456 476 458 0 538 57.885 8.646 4.909 2 U -7.560e+03 0.00e+00 e 0 477 476 478 0 539 57.885 4.909 4.909 2 U -3.610e+04 0.00e+00 e 0 477 478 478 0 540 57.885 3.119 4.909 2 U -4.240e+03 0.00e+00 e 0 477 480 478 0 541 57.885 3.506 4.909 2 U -9.690e+03 0.00e+00 e 0 477 481 478 0 542 57.885 8.228 4.909 2 U 2.410e+04 0.00e+00 e 0 477 486 478 0 543 64.407 8.646 3.119 2 U 7.200e+01 0.00e+00 e 0 479 476 480 0 544 64.407 4.909 3.119 2 U 1.210e+03 0.00e+00 e 0 479 478 480 0 545 64.407 3.119 3.119 2 U -7.994e+04 0.00e+00 e 0 479 480 480 0 546 64.407 3.506 3.119 2 U 5.910e+04 0.00e+00 e 0 479 481 480 0 547 64.407 8.228 3.119 2 U 1.800e+03 0.00e+00 e 0 479 486 480 0 548 64.407 8.646 3.506 2 U -3.026e+03 0.00e+00 e 0 479 476 481 0 549 64.407 4.909 3.506 2 U 7.830e+03 0.00e+00 e 0 479 478 481 0 550 64.407 3.119 3.506 2 U -3.252e+04 0.00e+00 e 0 479 480 481 0 551 64.407 3.506 3.506 2 U -1.720e+06 0.00e+00 e 0 479 481 481 0 552 64.407 8.228 3.506 2 U 2.480e+03 0.00e+00 e 0 479 486 481 0 553 61.231 8.228 3.841 2 U -5.950e+03 0.00e+00 e 0 487 486 488 0 554 61.231 3.841 3.841 2 U -3.863e+04 0.00e+00 e 0 487 488 488 0 555 61.231 1.087 3.841 2 U -9.330e+03 0.00e+00 e 0 487 490 488 0 556 61.231 0.397 3.841 2 U -1.700e+04 0.00e+00 e 0 487 491 488 0 557 61.231 0.682 3.841 2 U -2.270e+04 0.00e+00 e 0 487 492 488 0 558 61.231 8.769 3.841 2 U -3.000e+04 0.00e+00 e 0 487 504 488 0 559 33.924 8.228 1.087 2 U 1.100e+04 0.00e+00 e 0 489 486 490 0 560 33.924 3.841 1.087 2 U 3.940e+03 0.00e+00 e 0 489 488 490 0 561 33.924 1.087 1.087 2 U 9.600e+04 0.00e+00 e 0 489 490 490 0 562 33.924 0.397 1.087 2 U 2.330e+04 0.00e+00 e 0 489 491 490 0 563 33.924 0.682 1.087 2 U 3.530e+04 0.00e+00 e 0 489 492 490 0 564 33.924 8.769 1.087 2 U 5.430e+02 0.00e+00 e 0 489 504 490 0 565 21.181 8.228 0.397 2 U -7.346e+03 0.00e+00 e 0 493 486 491 0 566 21.181 3.841 0.397 2 U -5.940e+04 0.00e+00 e 0 493 488 491 0 567 21.181 1.087 0.397 2 U -5.730e+04 0.00e+00 e 0 493 490 491 0 568 21.181 0.397 0.397 2 U -1.300e+05 0.00e+00 e 0 493 491 491 0 569 21.181 0.682 0.397 2 U -9.000e+04 0.00e+00 e 0 493 492 491 0 570 21.181 8.769 0.397 2 U -3.022e+03 0.00e+00 e 0 493 504 491 0 571 21.188 8.228 0.682 2 U -1.062e+04 0.00e+00 e 0 497 486 492 0 572 21.188 3.841 0.682 2 U -5.690e+04 0.00e+00 e 0 497 488 492 0 573 21.188 1.087 0.682 2 U -9.070e+04 0.00e+00 e 0 497 490 492 0 574 21.188 0.397 0.682 2 U -8.900e+04 0.00e+00 e 0 497 491 492 0 575 21.188 0.682 0.682 2 U -2.760e+06 0.00e+00 e 0 497 492 492 0 576 21.188 8.769 0.682 2 U -4.709e+03 0.00e+00 e 0 497 504 492 0 577 58.239 8.769 4.776 2 U -2.407e+03 0.00e+00 e 0 505 504 506 0 578 58.239 4.776 4.776 2 U -1.299e+03 0.00e+00 e 0 505 506 506 0 579 58.239 2.784 4.776 2 U 2.530e+04 0.00e+00 e 0 505 508 506 0 580 58.239 3.009 4.776 2 U 1.240e+04 0.00e+00 e 0 505 509 506 0 581 58.239 8.557 4.776 2 U 3.462e+03 0.00e+00 e 0 505 527 506 0 582 39.209 8.769 2.784 2 U 6.563e+03 0.00e+00 e 0 507 504 508 0 583 39.209 4.776 2.784 2 U 2.450e+03 0.00e+00 e 0 507 506 508 0 584 39.209 2.784 2.784 2 U 6.850e+04 0.00e+00 e 0 507 508 508 0 585 39.209 3.009 2.784 2 U 4.500e+04 0.00e+00 e 0 507 509 508 0 586 39.209 8.557 2.784 2 U 3.830e+02 0.00e+00 e 0 507 527 508 0 587 39.209 8.769 3.009 2 U 4.487e+03 0.00e+00 e 0 507 504 509 0 588 39.209 4.776 3.009 2 U 3.960e+03 0.00e+00 e 0 507 506 509 0 589 39.209 2.784 3.009 2 U 4.060e+04 0.00e+00 e 0 507 508 509 0 590 39.209 3.009 3.009 2 U 4.130e+04 0.00e+00 e 0 507 509 509 0 591 39.209 8.557 3.009 2 U 1.580e+03 0.00e+00 e 0 507 527 509 0 592 62.108 8.557 4.092 2 U -7.730e+03 0.00e+00 e 0 528 527 529 0 593 62.108 4.092 4.092 2 U -3.050e+04 0.00e+00 e 0 528 529 529 0 594 62.108 1.799 4.092 2 U -4.940e+04 0.00e+00 e 0 528 531 529 0 595 62.108 0.823 4.092 2 U -9.800e+04 0.00e+00 e 0 528 532 529 0 596 62.108 1.136 4.092 2 U -5.960e+03 0.00e+00 e 0 528 538 529 0 597 62.108 0.980 4.092 2 U -3.810e+03 0.00e+00 e 0 528 539 529 0 598 62.108 0.597 4.092 2 U -2.690e+03 0.00e+00 e 0 528 541 529 0 599 62.108 8.097 4.092 2 U -1.320e+03 0.00e+00 e 0 528 548 529 0 600 38.267 8.557 1.799 2 U 8.040e+02 0.00e+00 e 0 530 527 531 0 601 38.267 4.092 1.799 2 U 1.420e+04 0.00e+00 e 0 530 529 531 0 602 38.267 1.799 1.799 2 U 7.840e+04 0.00e+00 e 0 530 531 531 0 603 38.267 0.823 1.799 2 U 2.640e+04 0.00e+00 e 0 530 532 531 0 604 38.267 1.136 1.799 2 U 9.150e+03 0.00e+00 e 0 530 538 531 0 605 38.267 0.980 1.799 2 U 5.890e+03 0.00e+00 e 0 530 539 531 0 606 38.267 0.597 1.799 2 U 1.280e+04 0.00e+00 e 0 530 541 531 0 607 38.267 8.097 1.799 2 U 1.160e+02 0.00e+00 e 0 530 548 531 0 608 18.482 8.557 0.823 2 U -3.580e+04 0.00e+00 e 0 533 527 532 0 609 18.482 4.092 0.823 2 U -1.620e+04 0.00e+00 e 0 533 529 532 0 610 18.482 1.799 0.823 2 U -3.580e+04 0.00e+00 e 0 533 531 532 0 611 18.482 0.823 0.823 2 U -8.750e+04 0.00e+00 e 0 533 532 532 0 612 18.482 1.136 0.823 2 U -1.230e+04 0.00e+00 e 0 533 538 532 0 613 18.482 0.980 0.823 2 U -2.970e+04 0.00e+00 e 0 533 539 532 0 614 18.482 0.597 0.823 2 U -4.760e+04 0.00e+00 e 0 533 541 532 0 615 18.482 8.097 0.823 2 U -5.170e+02 0.00e+00 e 0 533 548 532 0 616 25.274 8.557 1.136 2 U 7.520e+03 0.00e+00 e 0 537 527 538 0 617 25.274 4.088 1.136 2 U 4.670e+02 0.00e+00 e 0 537 529 538 0 618 25.274 1.799 1.136 2 U 3.520e+03 0.00e+00 e 0 537 531 538 0 619 25.274 0.823 1.136 2 U 5.550e+03 0.00e+00 e 0 537 532 538 0 620 25.274 1.136 1.136 2 U 6.750e+04 0.00e+00 e 0 537 538 538 0 621 25.274 0.980 1.136 2 U 2.470e+04 0.00e+00 e 0 537 539 538 0 622 25.274 0.597 1.136 2 U 1.660e+04 0.00e+00 e 0 537 541 538 0 623 25.274 8.097 1.136 2 U 7.700e+01 0.00e+00 e 0 537 548 538 0 624 25.274 8.557 0.980 2 U 1.060e+04 0.00e+00 e 0 537 527 539 0 625 25.274 4.092 0.980 2 U 2.150e+03 0.00e+00 e 0 537 529 539 0 626 25.274 1.799 0.980 2 U 4.240e+03 0.00e+00 e 0 537 531 539 0 627 25.274 0.823 0.980 2 U 1.840e+04 0.00e+00 e 0 537 532 539 0 628 25.274 1.136 0.980 2 U 1.690e+04 0.00e+00 e 0 537 538 539 0 629 25.274 0.980 0.980 2 U 2.690e+04 0.00e+00 e 0 537 539 539 0 630 25.274 0.597 0.980 2 U 5.690e+03 0.00e+00 e 0 537 541 539 0 631 25.274 8.097 0.980 2 U 8.600e+01 0.00e+00 e 0 537 548 539 0 632 15.982 8.557 0.597 2 U -7.336e+03 0.00e+00 e 0 542 527 541 0 633 15.982 4.092 0.597 2 U -1.290e+04 0.00e+00 e 0 542 529 541 0 634 15.982 1.799 0.597 2 U -7.730e+04 0.00e+00 e 0 542 531 541 0 635 15.982 0.823 0.597 2 U -2.809e+04 0.00e+00 e 0 542 532 541 0 636 15.982 1.136 0.597 2 U -5.570e+04 0.00e+00 e 0 542 538 541 0 637 15.982 0.980 0.597 2 U -6.790e+04 0.00e+00 e 0 542 539 541 0 638 15.982 0.597 0.597 2 U -9.411e+04 0.00e+00 e 0 542 541 541 0 639 15.982 8.097 0.597 2 U -1.400e+03 0.00e+00 e 0 542 548 541 0 640 55.253 8.997 4.266 2 U -7.090e+03 0.00e+00 e 0 560 559 561 0 641 55.253 4.266 4.266 2 U -6.840e+05 0.00e+00 e 0 560 561 561 0 642 55.253 2.753 4.266 2 U -1.540e+04 0.00e+00 e 0 560 563 561 0 643 55.253 2.607 4.266 2 U -1.470e+04 0.00e+00 e 0 560 564 561 0 644 55.253 7.701 4.266 2 U -1.210e+03 0.00e+00 e 0 560 570 561 0 645 40.140 8.997 2.753 2 U 2.150e+03 0.00e+00 e 0 562 559 563 0 646 40.140 4.266 2.753 2 U 1.800e+04 0.00e+00 e 0 562 561 563 0 647 40.140 2.753 2.753 2 U 4.000e+04 0.00e+00 e 0 562 563 563 0 648 40.140 2.607 2.753 2 U 9.800e+04 0.00e+00 e 0 562 564 563 0 649 40.140 7.701 2.753 2 U 1.020e+03 0.00e+00 e 0 562 570 563 0 650 40.140 8.997 2.607 2 U 3.980e+03 0.00e+00 e 0 562 559 564 0 651 40.140 4.266 2.607 2 U 2.850e+04 0.00e+00 e 0 562 561 564 0 652 40.140 2.753 2.607 2 U 1.130e+05 0.00e+00 e 0 562 563 564 0 653 40.140 2.607 2.607 2 U 2.480e+05 0.00e+00 e 0 562 564 564 0 654 40.140 7.701 2.607 2 U 4.440e+02 0.00e+00 e 0 562 570 564 0 655 52.822 7.701 4.707 2 U -3.380e+04 0.00e+00 e 0 571 570 572 0 656 52.822 4.707 4.707 2 U -2.224e+04 0.00e+00 e 0 571 572 572 0 657 52.822 2.228 4.707 2 U -3.000e+02 0.00e+00 e 0 571 574 572 0 658 52.822 2.945 4.707 2 U -5.000e+02 0.00e+00 e 0 571 575 572 0 659 52.822 8.765 4.707 2 U -5.540e+04 0.00e+00 e 0 571 581 572 0 660 42.823 7.701 2.228 2 U 1.060e+04 0.00e+00 e 0 573 570 574 0 661 42.823 4.707 2.228 2 U 8.700e+03 0.00e+00 e 0 573 572 574 0 662 42.823 2.228 2.228 2 U 1.854e+04 0.00e+00 e 0 573 574 574 0 663 42.823 2.945 2.228 2 U 6.970e+04 0.00e+00 e 0 573 575 574 0 664 42.823 8.765 2.228 2 U 8.520e+02 0.00e+00 e 0 573 581 574 0 665 42.823 7.701 2.945 2 U 9.000e+03 0.00e+00 e 0 573 570 575 0 666 42.823 4.707 2.945 2 U 5.130e+03 0.00e+00 e 0 573 572 575 0 667 42.823 2.228 2.945 2 U 9.720e+04 0.00e+00 e 0 573 574 575 0 668 42.823 2.945 2.945 2 U 1.950e+05 0.00e+00 e 0 573 575 575 0 670 55.393 8.765 3.970 2 U -1.420e+04 0.00e+00 e 0 582 581 583 0 671 55.393 3.970 3.970 2 U -8.310e+04 0.00e+00 e 0 582 583 583 0 672 55.393 1.294 3.970 2 U -6.500e+04 0.00e+00 e 0 582 584 583 0 673 55.393 8.111 3.970 2 U -2.887e+03 0.00e+00 e 0 582 591 583 0 674 18.217 8.765 1.294 2 U -5.770e+04 0.00e+00 e 0 585 581 584 0 675 18.217 3.970 1.294 2 U -7.760e+04 0.00e+00 e 0 585 583 584 0 676 18.217 1.294 1.294 2 U -9.000e+04 0.00e+00 e 0 585 584 584 0 677 18.217 8.111 1.294 2 U -1.081e+04 0.00e+00 e 0 585 591 584 0 678 54.928 8.111 4.065 2 U -3.880e+04 0.00e+00 e 0 592 591 593 0 679 54.928 4.065 4.065 2 U -4.500e+04 0.00e+00 e 0 592 593 593 0 680 54.928 1.339 4.065 2 U -3.200e+04 0.00e+00 e 0 592 594 593 0 681 54.928 8.303 4.065 2 U -4.027e+03 0.00e+00 e 0 592 601 593 0 682 18.163 8.111 1.339 2 U -6.139e+04 0.00e+00 e 0 595 591 594 0 683 18.163 4.065 1.339 2 U 3.700e+04 0.00e+00 e 0 595 593 594 0 684 18.163 1.339 1.339 2 U 7.610e+05 0.00e+00 e 0 595 594 594 0 685 18.163 8.303 1.339 2 U -1.850e+04 0.00e+00 e 0 595 601 594 0 686 57.292 8.303 4.112 2 U -3.780e+03 0.00e+00 e 0 602 601 603 0 687 57.292 4.112 4.112 2 U -3.590e+04 0.00e+00 e 0 602 603 603 0 688 57.292 1.230 4.112 2 U -7.230e+03 0.00e+00 e 0 602 605 603 0 689 57.292 2.049 4.112 2 U -3.780e+03 0.00e+00 e 0 602 606 603 0 690 57.292 1.656 4.112 2 U -4.650e+03 0.00e+00 e 0 602 609 603 0 691 57.292 0.779 4.112 2 U -9.280e+03 0.00e+00 e 0 602 610 603 0 692 57.292 0.830 4.112 2 U -3.438e+03 0.00e+00 e 0 602 611 603 0 693 57.292 9.136 4.112 2 U -2.208e+03 0.00e+00 e 0 602 623 603 0 694 41.604 8.303 1.230 2 U 4.570e+03 0.00e+00 e 0 604 601 605 0 695 41.604 4.112 1.230 2 U 1.130e+04 0.00e+00 e 0 604 603 605 0 696 41.604 1.230 1.230 2 U 5.550e+04 0.00e+00 e 0 604 605 605 0 697 41.604 2.049 1.230 2 U 2.700e+04 0.00e+00 e 0 604 606 605 0 698 41.604 1.656 1.230 2 U 1.490e+04 0.00e+00 e 0 604 609 605 0 699 41.604 0.779 1.230 2 U 1.050e+04 0.00e+00 e 0 604 610 605 0 700 41.604 0.830 1.230 2 U 9.407e+03 0.00e+00 e 0 604 611 605 0 701 41.604 9.136 1.230 2 U 1.120e+03 0.00e+00 e 0 604 623 605 0 702 41.604 8.303 2.049 2 U 5.180e+03 0.00e+00 e 0 604 601 606 0 703 41.604 4.112 2.049 2 U 6.250e+03 0.00e+00 e 0 604 603 606 0 704 41.604 1.230 2.049 2 U 2.300e+04 0.00e+00 e 0 604 605 606 0 705 41.604 2.049 2.049 2 U 1.050e+04 0.00e+00 e 0 604 606 606 0 706 41.604 1.656 2.049 2 U 2.650e+03 0.00e+00 e 0 604 609 606 0 707 41.604 0.779 2.049 2 U 7.510e+03 0.00e+00 e 0 604 610 606 0 708 41.604 0.830 2.049 2 U 3.050e+03 0.00e+00 e 0 604 611 606 0 709 41.604 9.136 2.049 2 U 8.030e+02 0.00e+00 e 0 604 623 606 0 710 26.727 8.303 1.656 2 U 1.680e+04 0.00e+00 e 0 608 601 609 0 711 26.727 4.112 1.656 2 U 6.270e+03 0.00e+00 e 0 608 603 609 0 712 26.727 1.230 1.656 2 U 6.580e+03 0.00e+00 e 0 608 605 609 0 713 26.727 2.049 1.656 2 U 1.270e+04 0.00e+00 e 0 608 606 609 0 714 26.727 1.656 1.656 2 U 7.960e+04 0.00e+00 e 0 608 609 609 0 715 26.727 0.779 1.656 2 U 1.160e+04 0.00e+00 e 0 608 610 609 0 716 26.727 0.830 1.656 2 U 3.070e+04 0.00e+00 e 0 608 611 609 0 717 26.727 9.136 1.656 2 U 1.530e+03 0.00e+00 e 0 608 623 609 0 718 22.592 8.303 0.779 2 U 9.440e+03 0.00e+00 e 0 612 601 610 0 719 22.592 4.112 0.779 2 U 2.343e+04 0.00e+00 e 0 612 603 610 0 720 22.592 1.230 0.779 2 U 1.410e+04 0.00e+00 e 0 612 605 610 0 721 22.592 2.049 0.779 2 U 8.700e+03 0.00e+00 e 0 612 606 610 0 722 22.592 1.656 0.779 2 U 2.320e+04 0.00e+00 e 0 612 609 610 0 723 22.592 0.779 0.779 2 U 7.700e+04 0.00e+00 e 0 612 610 610 0 724 22.592 0.830 0.779 2 U 3.050e+04 0.00e+00 e 0 612 611 610 0 725 22.592 9.136 0.779 2 U 7.610e+02 0.00e+00 e 0 612 623 610 0 726 26.987 8.303 0.830 2 U 7.420e+03 0.00e+00 e 0 616 601 611 0 727 26.987 4.112 0.830 2 U 8.500e+03 0.00e+00 e 0 616 603 611 0 728 26.987 1.230 0.830 2 U 8.490e+03 0.00e+00 e 0 616 605 611 0 729 26.987 2.049 0.830 2 U 4.022e+03 0.00e+00 e 0 616 606 611 0 730 26.987 1.656 0.830 2 U 4.490e+04 0.00e+00 e 0 616 609 611 0 731 26.987 0.779 0.830 2 U 1.980e+04 0.00e+00 e 0 616 610 611 0 732 26.987 0.830 0.830 2 U -8.010e+03 0.00e+00 e 0 616 611 611 0 734 59.859 9.136 3.787 2 U -3.460e+03 0.00e+00 e 0 624 623 625 0 735 59.859 3.787 3.787 2 U -8.600e+04 0.00e+00 e 0 624 625 625 0 736 59.859 1.863 3.787 2 U -1.460e+04 0.00e+00 e 0 624 627 625 0 737 59.859 2.024 3.787 2 U -1.540e+04 0.00e+00 e 0 624 628 625 0 738 59.859 2.193 3.787 2 U -7.150e+03 0.00e+00 e 0 624 631 625 0 739 59.859 2.190 3.787 2 U -6.320e+03 0.00e+00 e 0 624 632 625 0 740 59.859 7.855 3.787 2 U -1.768e+03 0.00e+00 e 0 624 638 625 0 741 28.893 9.136 1.863 2 U 1.260e+04 0.00e+00 e 0 626 623 627 0 742 28.893 3.787 1.863 2 U 1.140e+04 0.00e+00 e 0 626 625 627 0 743 28.893 1.863 1.863 2 U 2.282e+04 0.00e+00 e 0 626 627 627 0 744 28.893 2.024 1.863 2 U 9.230e+04 0.00e+00 e 0 626 628 627 0 745 28.893 2.193 1.863 2 U 7.680e+03 0.00e+00 e 0 626 631 627 0 746 28.893 2.190 1.863 2 U 1.360e+04 0.00e+00 e 0 626 632 627 0 747 28.893 7.855 1.863 2 U 7.990e+03 0.00e+00 e 0 626 638 627 0 748 28.893 9.136 2.024 2 U 7.080e+03 0.00e+00 e 0 626 623 628 0 749 28.893 3.787 2.024 2 U 6.980e+03 0.00e+00 e 0 626 625 628 0 750 28.893 1.863 2.024 2 U 6.900e+04 0.00e+00 e 0 626 627 628 0 751 28.893 2.024 2.024 2 U 1.850e+05 0.00e+00 e 0 626 628 628 0 752 28.893 2.193 2.024 2 U 2.060e+04 0.00e+00 e 0 626 631 628 0 753 28.893 2.190 2.024 2 U 3.210e+04 0.00e+00 e 0 626 632 628 0 754 28.893 7.855 2.024 2 U 5.540e+03 0.00e+00 e 0 626 638 628 0 755 35.676 9.136 2.193 2 U 5.530e+03 0.00e+00 e 0 630 623 631 0 756 35.676 3.787 2.193 2 U 1.730e+04 0.00e+00 e 0 630 625 631 0 757 35.676 1.863 2.193 2 U 2.760e+04 0.00e+00 e 0 630 627 631 0 758 35.676 2.024 2.193 2 U 3.347e+04 0.00e+00 e 0 630 628 631 0 759 35.676 2.193 2.193 2 U 7.260e+04 0.00e+00 e 0 630 631 631 0 760 35.676 2.190 2.193 2 U 5.200e+04 2.10e+04 a 0 630 632 631 0 761 35.676 7.855 2.193 2 U 3.196e+03 0.00e+00 e 0 630 638 631 0 762 35.676 9.136 2.190 2 U 3.802e+03 0.00e+00 e 0 630 623 632 0 763 35.676 3.787 2.190 2 U 1.628e+04 0.00e+00 e 0 630 625 632 0 764 35.676 1.863 2.190 2 U 2.050e+04 0.00e+00 e 0 630 627 632 0 765 35.676 2.024 2.190 2 U 2.936e+04 0.00e+00 e 0 630 628 632 0 766 35.676 2.193 2.190 2 U 8.070e+04 0.00e+00 e 0 630 631 632 0 767 35.676 2.190 2.190 2 U 6.720e+04 2.10e+04 a 0 630 632 632 0 768 35.676 7.855 2.190 2 U 1.733e+03 0.00e+00 e 0 630 638 632 0 769 61.342 7.855 3.995 2 U -4.480e+03 0.00e+00 e 0 639 638 640 0 770 61.342 3.995 3.995 2 U -4.170e+05 0.00e+00 e 0 639 640 640 0 771 61.342 3.818 3.995 2 U -2.530e+04 0.00e+00 e 0 639 642 640 0 772 61.342 3.782 3.995 2 U -3.210e+04 0.00e+00 e 0 639 643 640 0 773 61.342 7.312 3.995 2 U -4.320e+03 0.00e+00 e 0 639 648 640 0 774 62.440 7.855 3.818 2 U -2.130e+04 0.00e+00 e 0 641 638 642 0 775 62.440 3.995 3.818 2 U -3.540e+04 0.00e+00 e 0 641 640 642 0 776 62.440 3.818 3.818 2 U -1.530e+05 0.00e+00 e 0 641 642 642 0 777 62.440 3.782 3.818 2 U -2.540e+05 0.00e+00 e 0 641 643 642 0 778 62.440 7.312 3.818 2 U -3.931e+03 0.00e+00 e 0 641 648 642 0 779 62.440 7.855 3.782 2 U -2.480e+04 0.00e+00 e 0 641 638 643 0 780 62.440 3.995 3.782 2 U -2.300e+04 0.00e+00 e 0 641 640 643 0 781 62.440 3.818 3.782 2 U -2.080e+05 0.00e+00 e 0 641 642 643 0 782 62.440 3.782 3.782 2 U -1.440e+05 0.00e+00 e 0 641 643 643 0 783 62.440 7.312 3.782 2 U -4.910e+03 0.00e+00 e 0 641 648 643 0 784 54.364 7.312 3.859 2 U -2.400e+04 0.00e+00 e 0 649 648 650 0 785 54.364 3.859 3.859 2 U -6.130e+04 0.00e+00 e 0 649 650 650 0 786 54.364 0.725 3.859 2 U -5.200e+04 0.00e+00 e 0 649 651 650 0 787 54.364 8.430 3.859 2 U -5.560e+03 0.00e+00 e 0 649 658 650 0 788 19.482 7.312 0.725 2 U -3.830e+04 0.00e+00 e 0 652 648 651 0 789 19.482 3.859 0.725 2 U -1.100e+05 0.00e+00 e 0 652 650 651 0 790 19.482 0.725 0.725 2 U -9.000e+04 0.00e+00 e 0 652 651 651 0 792 58.668 8.430 4.358 2 U -3.510e+03 0.00e+00 e 0 659 658 660 0 793 58.668 4.358 4.358 2 U -2.384e+04 0.00e+00 e 0 659 660 660 0 794 58.668 2.399 4.358 2 U -3.940e+03 0.00e+00 e 0 659 662 660 0 795 58.668 2.933 4.358 2 U -8.800e+03 0.00e+00 e 0 659 663 660 0 796 58.668 8.439 4.358 2 U -3.020e+03 0.00e+00 e 0 659 681 660 0 797 40.019 8.430 2.399 2 U 2.750e+03 0.00e+00 e 0 661 658 662 0 798 40.019 4.358 2.399 2 U 5.990e+03 0.00e+00 e 0 661 660 662 0 799 40.019 2.399 2.399 2 U 2.710e+04 0.00e+00 e 0 661 662 662 0 800 40.019 2.933 2.399 2 U 3.760e+04 0.00e+00 e 0 661 663 662 0 801 40.019 8.439 2.399 2 U 2.020e+03 0.00e+00 e 0 661 681 662 0 802 40.019 8.430 2.933 2 U 2.340e+03 0.00e+00 e 0 661 658 663 0 803 40.019 4.358 2.933 2 U 4.300e+03 0.00e+00 e 0 661 660 663 0 804 40.019 2.399 2.933 2 U 7.270e+04 0.00e+00 e 0 661 662 663 0 805 40.019 2.933 2.933 2 U 8.410e+04 0.00e+00 e 0 661 663 663 0 806 40.019 8.439 2.933 2 U 2.130e+03 0.00e+00 e 0 661 681 663 0 807 48.221 8.439 4.168 2 U 4.200e+04 0.00e+00 e 0 682 681 683 0 808 48.221 4.168 4.168 2 U 1.340e+05 0.00e+00 e 0 682 683 683 0 809 48.221 3.468 4.168 2 U 6.490e+04 0.00e+00 e 0 682 684 683 0 810 48.221 8.300 4.168 2 U 1.660e+03 0.00e+00 e 0 682 688 683 0 811 48.221 8.439 3.468 2 U 3.200e+04 0.00e+00 e 0 682 681 684 0 812 48.221 4.168 3.468 2 U 8.339e+03 0.00e+00 e 0 682 683 684 0 813 48.221 3.468 3.468 2 U 8.350e+04 0.00e+00 e 0 682 684 684 0 814 48.221 8.300 3.468 2 U -8.490e+02 0.00e+00 e 0 682 688 684 0 815 54.882 8.300 4.384 2 U -7.860e+03 0.00e+00 e 0 689 688 690 0 816 54.882 4.384 4.384 2 U -8.356e+04 0.00e+00 e 0 689 690 690 0 817 54.882 1.431 4.384 2 U -1.540e+04 0.00e+00 e 0 689 692 690 0 818 54.882 1.524 4.384 2 U -1.320e+04 0.00e+00 e 0 689 693 690 0 819 54.882 1.536 4.384 2 U -8.220e+03 0.00e+00 e 0 689 696 690 0 820 54.882 0.695 4.384 2 U -1.824e+04 0.00e+00 e 0 689 697 690 0 821 54.882 0.740 4.384 2 U -4.948e+03 0.00e+00 e 0 689 698 690 0 822 54.882 7.664 4.384 2 U -2.510e+03 0.00e+00 e 0 689 710 690 0 823 41.579 8.300 1.431 2 U 8.620e+03 0.00e+00 e 0 691 688 692 0 824 41.579 4.384 1.431 2 U 7.800e+03 0.00e+00 e 0 691 690 692 0 825 41.579 1.431 1.431 2 U 7.700e+04 0.00e+00 e 0 691 692 692 0 826 41.579 1.524 1.431 2 U 2.124e+03 0.00e+00 e 0 691 693 692 0 827 41.579 1.536 1.431 2 U 2.124e+03 0.00e+00 e 0 691 696 692 0 828 41.579 0.695 1.431 2 U 1.550e+04 0.00e+00 e 0 691 697 692 0 829 41.579 0.740 1.431 2 U 1.580e+04 0.00e+00 e 0 691 698 692 0 830 41.579 7.664 1.431 2 U 1.210e+03 0.00e+00 e 0 691 710 692 0 831 41.579 8.300 1.524 2 U 6.000e+03 0.00e+00 e 0 691 688 693 0 832 41.579 4.384 1.524 2 U 9.586e+03 0.00e+00 e 0 691 690 693 0 833 41.579 1.431 1.524 2 U 5.200e+03 0.00e+00 e 0 691 692 693 0 834 41.579 1.524 1.524 2 U 2.220e+04 0.00e+00 e 0 691 693 693 0 835 41.579 1.536 1.524 2 U 2.945e+03 0.00e+00 e 0 691 696 693 0 836 41.579 0.695 1.524 2 U 8.260e+03 0.00e+00 e 0 691 697 693 0 837 41.579 0.740 1.524 2 U 1.080e+04 0.00e+00 e 0 691 698 693 0 838 41.579 7.664 1.524 2 U 1.440e+03 0.00e+00 e 0 691 710 693 0 839 26.714 8.300 1.536 2 U 5.294e+03 0.00e+00 e 0 695 688 696 0 840 26.714 4.384 1.536 2 U 3.337e+03 0.00e+00 e 0 695 690 696 0 841 26.714 1.431 1.536 2 U 6.800e+04 0.00e+00 e 0 695 692 696 0 842 26.714 1.524 1.536 2 U 7.154e+04 0.00e+00 e 0 695 693 696 0 843 26.714 1.536 1.536 2 U 7.154e+04 0.00e+00 e 0 695 696 696 0 844 26.714 0.695 1.536 2 U 3.300e+04 0.00e+00 e 0 695 697 696 0 845 26.714 0.740 1.536 2 U 2.710e+04 0.00e+00 e 0 695 698 696 0 846 26.714 7.664 1.536 2 U 9.150e+02 0.00e+00 e 0 695 710 696 0 847 22.302 8.300 0.695 2 U 8.800e+03 0.00e+00 e 0 699 688 697 0 848 22.302 4.384 0.695 2 U 9.710e+04 0.00e+00 e 0 699 690 697 0 849 22.302 1.431 0.695 2 U 1.680e+04 0.00e+00 e 0 699 692 697 0 850 22.302 1.524 0.695 2 U 2.796e+04 0.00e+00 e 0 699 693 697 0 851 22.302 1.536 0.695 2 U 1.832e+04 0.00e+00 e 0 699 696 697 0 852 22.302 0.695 0.695 2 U 7.000e+04 0.00e+00 e 0 699 697 697 0 853 22.302 0.740 0.695 2 U 7.800e+04 0.00e+00 e 0 699 698 697 0 854 22.302 7.664 0.695 2 U 1.910e+03 0.00e+00 e 0 699 710 697 0 855 25.046 8.300 0.740 2 U 5.170e+03 0.00e+00 e 0 703 688 698 0 856 25.046 4.384 0.740 2 U 1.120e+04 0.00e+00 e 0 703 690 698 0 857 25.046 1.431 0.740 2 U 3.400e+04 0.00e+00 e 0 703 692 698 0 858 25.046 1.524 0.740 2 U 1.065e+04 0.00e+00 e 0 703 693 698 0 859 25.046 1.536 0.740 2 U 1.330e+04 0.00e+00 e 0 703 696 698 0 860 25.046 0.695 0.740 2 U 6.200e+04 0.00e+00 e 0 703 697 698 0 861 25.046 0.740 0.740 2 U 6.000e+04 0.00e+00 e 0 703 698 698 0 862 25.046 7.664 0.740 2 U 1.070e+03 0.00e+00 e 0 703 710 698 0 863 55.764 7.664 4.227 2 U -1.180e+04 0.00e+00 e 0 711 710 712 0 864 55.764 4.227 4.227 2 U -5.926e+04 0.00e+00 e 0 711 712 712 0 865 55.764 1.144 4.227 2 U -1.650e+04 0.00e+00 e 0 711 714 712 0 866 55.764 1.929 4.227 2 U -2.540e+04 0.00e+00 e 0 711 715 712 0 867 55.764 1.314 4.227 2 U -4.030e+04 0.00e+00 e 0 711 718 712 0 868 55.764 1.554 4.227 2 U -2.390e+04 0.00e+00 e 0 711 719 712 0 869 55.764 2.952 4.227 2 U -2.165e+03 0.00e+00 e 0 711 722 712 0 870 55.764 3.225 4.227 2 U -1.642e+03 0.00e+00 e 0 711 723 712 0 871 55.764 7.020 4.227 2 U -4.780e+03 0.00e+00 e 0 711 736 712 0 872 35.860 7.664 1.144 2 U 5.400e+03 0.00e+00 e 0 713 710 714 0 873 35.860 4.227 1.144 2 U 3.210e+03 0.00e+00 e 0 713 712 714 0 874 35.860 1.144 1.144 2 U 3.630e+04 0.00e+00 e 0 713 714 714 0 875 35.860 1.929 1.144 2 U 1.350e+04 0.00e+00 e 0 713 715 714 0 876 35.860 1.314 1.144 2 U 2.850e+03 0.00e+00 e 0 713 718 714 0 877 35.860 1.554 1.144 2 U 3.120e+03 0.00e+00 e 0 713 719 714 0 878 35.860 2.952 1.144 2 U 2.323e+03 0.00e+00 e 0 713 722 714 0 879 35.860 3.225 1.144 2 U 2.101e+03 0.00e+00 e 0 713 723 714 0 880 35.860 7.020 1.144 2 U 1.400e+03 0.00e+00 e 0 713 736 714 0 881 35.860 7.664 1.929 2 U 3.830e+03 0.00e+00 e 0 713 710 715 0 882 35.860 4.227 1.929 2 U 7.130e+03 0.00e+00 e 0 713 712 715 0 883 35.860 1.144 1.929 2 U 8.530e+03 0.00e+00 e 0 713 714 715 0 884 35.860 1.929 1.929 2 U 8.805e+03 0.00e+00 e 0 713 715 715 0 885 35.860 1.314 1.929 2 U 7.980e+02 0.00e+00 e 0 713 718 715 0 886 35.860 1.554 1.929 2 U 1.110e+04 0.00e+00 e 0 713 719 715 0 887 35.860 2.952 1.929 2 U 5.640e+03 0.00e+00 e 0 713 722 715 0 888 35.860 3.225 1.929 2 U 3.690e+02 0.00e+00 e 0 713 723 715 0 889 35.860 7.020 1.929 2 U 2.180e+03 0.00e+00 e 0 713 736 715 0 890 25.553 7.664 1.314 2 U 5.220e+03 0.00e+00 e 0 717 710 718 0 891 25.553 4.227 1.314 2 U 2.769e+03 0.00e+00 e 0 717 712 718 0 892 25.553 1.144 1.314 2 U 1.320e+04 0.00e+00 e 0 717 714 718 0 893 25.553 1.929 1.314 2 U 5.470e+03 0.00e+00 e 0 717 715 718 0 894 25.553 1.314 1.314 2 U 3.500e+04 0.00e+00 e 0 717 718 718 0 895 25.553 1.554 1.314 2 U 4.540e+04 0.00e+00 e 0 717 719 718 0 896 25.553 2.952 1.314 2 U 7.583e+03 0.00e+00 e 0 717 722 718 0 897 25.553 3.225 1.314 2 U 9.640e+03 0.00e+00 e 0 717 723 718 0 899 25.553 7.664 1.554 2 U 1.760e+03 0.00e+00 e 0 717 710 719 0 900 25.553 4.227 1.554 2 U 2.827e+03 0.00e+00 e 0 717 712 719 0 901 25.553 1.144 1.554 2 U 1.740e+04 0.00e+00 e 0 717 714 719 0 902 25.553 1.929 1.554 2 U 3.920e+03 0.00e+00 e 0 717 715 719 0 903 25.553 1.314 1.554 2 U 3.150e+04 0.00e+00 e 0 717 718 719 0 904 25.553 1.554 1.554 2 U 4.330e+04 0.00e+00 e 0 717 719 719 0 905 25.553 2.952 1.554 2 U 7.610e+03 0.00e+00 e 0 717 722 719 0 906 25.553 3.225 1.554 2 U 7.660e+03 0.00e+00 e 0 717 723 719 0 909 44.228 4.227 2.952 2 U 1.141e+03 0.00e+00 e 0 721 712 722 0 910 44.228 1.144 2.952 2 U 9.640e+02 0.00e+00 e 0 721 714 722 0 911 44.228 1.929 2.952 2 U 1.790e+03 0.00e+00 e 0 721 715 722 0 912 44.228 1.314 2.952 2 U 2.500e+03 0.00e+00 e 0 721 718 722 0 913 44.228 1.554 2.952 2 U 5.450e+03 0.00e+00 e 0 721 719 722 0 914 44.228 2.952 2.952 2 U 2.630e+04 0.00e+00 e 0 721 722 722 0 915 44.228 3.225 2.952 2 U 1.730e+04 0.00e+00 e 0 721 723 722 0 918 44.228 4.227 3.225 2 U 1.392e+03 0.00e+00 e 0 721 712 723 0 919 44.228 1.144 3.225 2 U 1.670e+03 0.00e+00 e 0 721 714 723 0 920 44.228 1.929 3.225 2 U 3.532e+03 0.00e+00 e 0 721 715 723 0 921 44.228 1.314 3.225 2 U 4.490e+03 0.00e+00 e 0 721 718 723 0 922 44.228 1.554 3.225 2 U 1.290e+04 0.00e+00 e 0 721 719 723 0 923 44.228 2.952 3.225 2 U 3.010e+04 0.00e+00 e 0 721 722 723 0 924 44.228 3.225 3.225 2 U 6.600e+04 0.00e+00 e 0 721 723 723 0 926 60.712 7.020 3.829 2 U -1.252e+04 0.00e+00 e 0 737 736 738 0 927 60.712 3.829 3.829 2 U -1.212e+05 0.00e+00 e 0 737 738 738 0 928 60.712 1.877 3.829 2 U -1.100e+04 0.00e+00 e 0 737 740 738 0 929 60.712 0.748 3.829 2 U -2.290e+04 0.00e+00 e 0 737 741 738 0 930 60.712 0.826 3.829 2 U -1.688e+04 0.00e+00 e 0 737 742 738 0 931 31.786 7.020 1.877 2 U 3.784e+03 0.00e+00 e 0 739 736 740 0 932 31.786 3.829 1.877 2 U 1.100e+04 0.00e+00 e 0 739 738 740 0 933 31.786 1.877 1.877 2 U 8.860e+04 0.00e+00 e 0 739 740 740 0 934 31.786 0.748 1.877 2 U 1.230e+04 0.00e+00 e 0 739 741 740 0 935 31.786 0.826 1.877 2 U 7.294e+03 0.00e+00 e 0 739 742 740 0 936 18.319 7.020 0.748 2 U -8.112e+03 0.00e+00 e 0 743 736 741 0 937 18.319 3.829 0.748 2 U -9.090e+03 0.00e+00 e 0 743 738 741 0 938 18.319 1.877 0.748 2 U -3.350e+04 0.00e+00 e 0 743 740 741 0 939 18.319 0.748 0.748 2 U -7.550e+04 0.00e+00 e 0 743 741 741 0 940 18.319 0.826 0.748 2 U -3.654e+04 0.00e+00 e 0 743 742 741 0 941 24.038 7.020 0.826 2 U 7.703e+03 0.00e+00 e 0 747 736 742 0 942 24.038 3.829 0.826 2 U 2.700e+04 0.00e+00 e 0 747 738 742 0 943 24.038 1.877 0.826 2 U 3.780e+04 0.00e+00 e 0 747 740 742 0 944 24.038 0.748 0.826 2 U 1.999e+04 0.00e+00 e 0 747 741 742 0 945 24.038 0.826 0.826 2 U 1.900e+04 0.00e+00 e 0 747 742 742 0 946 49.825 3.829 2.770 2 U -6.000e+00 0.00e+00 e 0 754 738 765 0 947 60.712 2.770 3.829 2 U -3.480e+02 0.00e+00 e 0 737 765 738 0 948 49.825 3.829 2.928 2 U 2.830e+02 0.00e+00 e 0 754 738 766 0 949 60.712 2.928 3.829 2 U -3.900e+02 0.00e+00 e 0 737 766 738 0 950 49.825 4.759 2.770 2 U 1.650e+02 0.00e+00 e 0 754 756 765 0 951 49.825 1.674 2.770 2 U 7.900e+01 0.00e+00 e 0 754 758 765 0 952 49.825 2.205 2.770 2 U 1.570e+02 0.00e+00 e 0 754 759 765 0 953 49.825 1.122 2.770 2 U 1.780e+03 0.00e+00 e 0 754 762 765 0 954 49.825 1.491 2.770 2 U -6.600e+01 0.00e+00 e 0 754 763 765 0 955 49.825 2.770 2.770 2 U 2.310e+04 0.00e+00 e 0 754 765 765 0 956 49.825 2.928 2.770 2 U 1.610e+04 0.00e+00 e 0 754 766 765 0 957 49.825 7.698 2.770 2 U -3.500e+01 0.00e+00 e 0 754 770 765 0 958 49.825 4.759 2.928 2 U 2.030e+02 0.00e+00 e 0 754 756 766 0 959 49.825 1.674 2.928 2 U 1.730e+02 0.00e+00 e 0 754 758 766 0 960 49.825 2.205 2.928 2 U -1.110e+02 0.00e+00 e 0 754 759 766 0 961 49.825 1.122 2.928 2 U 1.300e+03 0.00e+00 e 0 754 762 766 0 962 49.825 1.491 2.928 2 U 1.330e+03 0.00e+00 e 0 754 763 766 0 963 49.825 2.770 2.928 2 U 2.260e+04 0.00e+00 e 0 754 765 766 0 964 49.825 2.928 2.928 2 U 2.500e+04 0.00e+00 e 0 754 766 766 0 965 49.825 7.698 2.928 2 U -4.500e+01 0.00e+00 e 0 754 770 766 0 966 62.500 4.759 4.759 2 U 9.840e+03 0.00e+00 e 0 755 756 756 0 967 62.500 1.674 4.759 2 U 6.030e+02 0.00e+00 e 0 755 758 756 0 968 62.500 2.205 4.759 2 U 2.350e+03 0.00e+00 e 0 755 759 756 0 969 62.500 1.122 4.759 2 U -3.490e+03 0.00e+00 e 0 755 762 756 0 970 62.500 1.491 4.759 2 U -4.320e+03 0.00e+00 e 0 755 763 756 0 973 62.500 7.698 4.759 2 U 1.890e+03 0.00e+00 e 0 755 770 756 0 974 34.873 4.759 1.674 2 U 8.010e+03 0.00e+00 e 0 757 756 758 0 975 34.873 1.674 1.674 2 U 6.260e+04 0.00e+00 e 0 757 758 758 0 976 34.873 2.205 1.674 2 U 4.107e+03 0.00e+00 e 0 757 759 758 0 977 34.873 1.122 1.674 2 U 3.420e+04 0.00e+00 e 0 757 762 758 0 978 34.873 1.491 1.674 2 U 7.140e+03 0.00e+00 e 0 757 763 758 0 979 34.873 2.770 1.674 2 U 1.720e+03 0.00e+00 e 0 757 765 758 0 980 34.873 2.928 1.674 2 U 1.470e+03 0.00e+00 e 0 757 766 758 0 981 34.873 7.698 1.674 2 U 4.830e+02 0.00e+00 e 0 757 770 758 0 982 34.873 4.759 2.205 2 U 5.160e+03 0.00e+00 e 0 757 756 759 0 983 34.873 1.674 2.205 2 U 1.760e+04 0.00e+00 e 0 757 758 759 0 984 34.873 2.205 2.205 2 U 3.731e+04 0.00e+00 e 0 757 759 759 0 985 34.873 1.122 2.205 2 U 9.150e+03 0.00e+00 e 0 757 762 759 0 986 34.873 1.491 2.205 2 U 4.440e+03 0.00e+00 e 0 757 763 759 0 987 34.873 2.770 2.205 2 U 1.590e+03 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3.880e+05 0.00e+00 e 0 1073 1074 1074 0 1575 43.225 3.151 3.054 2 U 3.600e+05 0.00e+00 e 0 1073 1075 1074 0 1577 43.225 7.850 3.151 2 U 2.570e+03 0.00e+00 e 0 1073 1062 1075 0 1578 43.225 4.004 3.151 2 U 1.752e+03 0.00e+00 e 0 1073 1064 1075 0 1579 43.225 1.693 3.151 2 U 1.870e+04 0.00e+00 e 0 1073 1066 1075 0 1580 43.225 1.911 3.151 2 U 5.900e+03 0.00e+00 e 0 1073 1067 1075 0 1581 43.225 1.513 3.151 2 U 2.200e+04 0.00e+00 e 0 1073 1070 1075 0 1582 43.225 1.588 3.151 2 U 1.160e+04 0.00e+00 e 0 1073 1071 1075 0 1583 43.225 3.054 3.151 2 U 8.600e+04 0.00e+00 e 0 1073 1074 1075 0 1584 43.225 3.151 3.151 2 U 9.200e+04 0.00e+00 e 0 1073 1075 1075 0 1586 58.265 8.441 3.708 2 U -1.240e+04 0.00e+00 e 0 1089 1088 1090 0 1587 58.265 3.708 3.708 2 U -4.473e+04 0.00e+00 e 0 1089 1090 1090 0 1588 58.265 1.343 3.708 2 U -1.400e+04 0.00e+00 e 0 1089 1092 1090 0 1589 58.265 1.550 3.708 2 U -4.020e+03 0.00e+00 e 0 1089 1093 1090 0 1590 58.265 1.174 3.708 2 U -2.796e+03 0.00e+00 e 0 1089 1096 1090 0 1591 58.265 -0.645 3.708 2 U -1.620e+04 0.00e+00 e 0 1089 1097 1090 0 1592 58.265 0.445 3.708 2 U -1.860e+04 0.00e+00 e 0 1089 1098 1090 0 1593 58.265 8.732 3.708 2 U -1.320e+03 0.00e+00 e 0 1089 1110 1090 0 1594 42.018 8.441 1.343 2 U 1.650e+04 0.00e+00 e 0 1091 1088 1092 0 1595 42.018 3.708 1.343 2 U 3.980e+03 0.00e+00 e 0 1091 1090 1092 0 1596 42.018 1.343 1.343 2 U 4.100e+04 0.00e+00 e 0 1091 1092 1092 0 1597 42.018 1.550 1.343 2 U 4.680e+04 0.00e+00 e 0 1091 1093 1092 0 1598 42.018 1.174 1.343 2 U 1.700e+04 0.00e+00 e 0 1091 1096 1092 0 1599 42.018 -0.645 1.343 2 U 3.220e+03 0.00e+00 e 0 1091 1097 1092 0 1600 42.018 0.445 1.343 2 U 1.760e+04 0.00e+00 e 0 1091 1098 1092 0 1601 42.018 8.732 1.343 2 U 3.020e+03 0.00e+00 e 0 1091 1110 1092 0 1602 42.018 8.441 1.550 2 U 4.980e+03 0.00e+00 e 0 1091 1088 1093 0 1603 42.018 3.708 1.550 2 U 5.420e+03 0.00e+00 e 0 1091 1090 1093 0 1604 42.018 1.343 1.550 2 U 6.280e+04 0.00e+00 e 0 1091 1092 1093 0 1605 42.018 1.550 1.550 2 U 7.610e+04 0.00e+00 e 0 1091 1093 1093 0 1606 42.018 1.174 1.550 2 U 5.590e+03 0.00e+00 e 0 1091 1096 1093 0 1607 42.018 -0.645 1.550 2 U 5.090e+02 0.00e+00 e 0 1091 1097 1093 0 1608 42.018 0.445 1.550 2 U 1.620e+04 0.00e+00 e 0 1091 1098 1093 0 1609 42.018 8.732 1.550 2 U 3.393e+03 0.00e+00 e 0 1091 1110 1093 0 1610 27.515 8.441 1.174 2 U 1.277e+03 0.00e+00 e 0 1095 1088 1096 0 1611 27.515 3.708 1.174 2 U 2.970e+03 0.00e+00 e 0 1095 1090 1096 0 1612 27.515 1.343 1.174 2 U 3.380e+04 0.00e+00 e 0 1095 1092 1096 0 1613 27.515 1.550 1.174 2 U 1.700e+04 0.00e+00 e 0 1095 1093 1096 0 1614 27.515 1.174 1.174 2 U 8.100e+04 0.00e+00 e 0 1095 1096 1096 0 1615 27.515 -0.645 1.174 2 U 3.830e+03 0.00e+00 e 0 1095 1097 1096 0 1616 27.515 0.445 1.174 2 U 1.680e+04 0.00e+00 e 0 1095 1098 1096 0 1619 25.150 3.708 -0.645 2 U 1.630e+04 0.00e+00 e 0 1099 1090 1097 0 1620 25.150 1.343 -0.645 2 U 3.590e+03 0.00e+00 e 0 1099 1092 1097 0 1622 25.150 1.174 -0.645 2 U 2.710e+03 0.00e+00 e 0 1099 1096 1097 0 1623 25.150 -0.645 -0.645 2 U 7.700e+04 0.00e+00 e 0 1099 1097 1097 0 1624 25.150 0.445 -0.645 2 U 2.520e+04 0.00e+00 e 0 1099 1098 1097 0 1626 25.595 8.441 0.445 2 U 3.008e+03 0.00e+00 e 0 1103 1088 1098 0 1627 25.595 3.708 0.445 2 U 1.460e+04 0.00e+00 e 0 1103 1090 1098 0 1628 25.595 1.343 0.445 2 U 3.220e+04 0.00e+00 e 0 1103 1092 1098 0 1629 25.595 1.550 0.445 2 U 5.190e+04 0.00e+00 e 0 1103 1093 1098 0 1630 25.595 1.174 0.445 2 U 6.470e+04 0.00e+00 e 0 1103 1096 1098 0 1631 25.595 -0.645 0.445 2 U 2.480e+04 0.00e+00 e 0 1103 1097 1098 0 1632 25.595 0.445 0.445 2 U 9.120e+04 0.00e+00 e 0 1103 1098 1098 0 1633 25.595 8.732 0.445 2 U 5.360e+02 0.00e+00 e 0 1103 1110 1098 0 1634 58.523 8.732 3.807 2 U -1.050e+04 0.00e+00 e 0 1111 1110 1112 0 1635 58.523 3.807 3.807 2 U -7.400e+04 0.00e+00 e 0 1111 1112 1112 0 1636 58.523 1.779 3.807 2 U -1.820e+04 0.00e+00 e 0 1111 1114 1112 0 1637 58.523 1.951 3.807 2 U -1.370e+04 0.00e+00 e 0 1111 1115 1112 0 1638 58.523 1.501 3.807 2 U -6.950e+03 0.00e+00 e 0 1111 1118 1112 0 1639 58.523 1.729 3.807 2 U -1.140e+04 0.00e+00 e 0 1111 1119 1112 0 1640 58.523 3.299 3.807 2 U -5.630e+03 0.00e+00 e 0 1111 1122 1112 0 1641 58.523 3.141 3.807 2 U -9.920e+03 0.00e+00 e 0 1111 1123 1112 0 1642 58.523 7.728 3.807 2 U -3.340e+03 0.00e+00 e 0 1111 1136 1112 0 1643 30.973 8.732 1.779 2 U 8.970e+03 0.00e+00 e 0 1113 1110 1114 0 1644 30.973 3.807 1.779 2 U 7.750e+03 0.00e+00 e 0 1113 1112 1114 0 1645 30.973 1.779 1.779 2 U 1.556e+04 0.00e+00 e 0 1113 1114 1114 0 1646 30.973 1.951 1.779 2 U 1.030e+04 0.00e+00 e 0 1113 1115 1114 0 1647 30.973 1.501 1.779 2 U 1.450e+04 0.00e+00 e 0 1113 1118 1114 0 1648 30.973 1.729 1.779 2 U 4.270e+04 0.00e+00 e 0 1113 1119 1114 0 1649 30.973 3.299 1.779 2 U 3.920e+03 0.00e+00 e 0 1113 1122 1114 0 1650 30.973 3.141 1.779 2 U 2.200e+03 0.00e+00 e 0 1113 1123 1114 0 1651 30.973 7.728 1.779 2 U 2.940e+03 0.00e+00 e 0 1113 1136 1114 0 1652 30.973 8.732 1.951 2 U 8.740e+03 0.00e+00 e 0 1113 1110 1115 0 1653 30.973 3.807 1.951 2 U 1.019e+04 0.00e+00 e 0 1113 1112 1115 0 1654 30.973 1.779 1.951 2 U 1.160e+04 0.00e+00 e 0 1113 1114 1115 0 1655 30.973 1.951 1.951 2 U 8.386e+04 0.00e+00 r 0 1113 1115 1115 0 1656 30.973 1.501 1.951 2 U 2.100e+04 0.00e+00 e 0 1113 1118 1115 0 1657 30.973 1.729 1.951 2 U 4.150e+04 0.00e+00 e 0 1113 1119 1115 0 1658 30.973 3.299 1.951 2 U 4.120e+03 0.00e+00 e 0 1113 1122 1115 0 1659 30.973 3.141 1.951 2 U 3.850e+03 0.00e+00 e 0 1113 1123 1115 0 1660 30.973 7.728 1.951 2 U 4.370e+03 0.00e+00 e 0 1113 1136 1115 0 1661 25.361 8.732 1.501 2 U 1.480e+03 0.00e+00 e 0 1117 1110 1118 0 1662 25.361 3.807 1.501 2 U 3.990e+03 0.00e+00 e 0 1117 1112 1118 0 1663 25.361 1.779 1.501 2 U 1.400e+04 0.00e+00 e 0 1117 1114 1118 0 1664 25.361 1.951 1.501 2 U 1.470e+04 0.00e+00 e 0 1117 1115 1118 0 1665 25.361 1.501 1.501 2 U 2.616e+04 0.00e+00 e 0 1117 1118 1118 0 1666 25.361 1.729 1.501 2 U 1.704e+04 0.00e+00 e 0 1117 1119 1118 0 1667 25.361 3.299 1.501 2 U 2.180e+04 0.00e+00 e 0 1117 1122 1118 0 1668 25.361 3.141 1.501 2 U 1.474e+04 0.00e+00 e 0 1117 1123 1118 0 1670 25.361 8.732 1.729 2 U 1.670e+03 0.00e+00 e 0 1117 1110 1119 0 1671 25.361 3.807 1.729 2 U 3.580e+03 0.00e+00 e 0 1117 1112 1119 0 1672 25.361 1.779 1.729 2 U 1.860e+04 0.00e+00 e 0 1117 1114 1119 0 1673 25.361 1.951 1.729 2 U 1.630e+04 0.00e+00 e 0 1117 1115 1119 0 1674 25.361 1.501 1.729 2 U 2.850e+04 0.00e+00 e 0 1117 1118 1119 0 1675 25.361 1.729 1.729 2 U 1.010e+05 0.00e+00 e 0 1117 1119 1119 0 1676 25.361 3.299 1.729 2 U 1.500e+04 0.00e+00 e 0 1117 1122 1119 0 1677 25.361 3.141 1.729 2 U 7.080e+03 0.00e+00 e 0 1117 1123 1119 0 1678 25.361 7.728 1.729 2 U 1.560e+03 0.00e+00 e 0 1117 1136 1119 0 1680 43.400 3.807 3.299 2 U 1.340e+04 0.00e+00 e 0 1121 1112 1122 0 1681 43.400 1.779 3.299 2 U 4.780e+03 0.00e+00 e 0 1121 1114 1122 0 1682 43.400 1.951 3.299 2 U 3.220e+03 0.00e+00 e 0 1121 1115 1122 0 1683 43.400 1.501 3.299 2 U 1.730e+04 0.00e+00 e 0 1121 1118 1122 0 1684 43.400 1.729 3.299 2 U 1.700e+04 0.00e+00 e 0 1121 1119 1122 0 1685 43.400 3.299 3.299 2 U 7.600e+04 0.00e+00 e 0 1121 1122 1122 0 1686 43.400 3.141 3.299 2 U 7.500e+04 0.00e+00 e 0 1121 1123 1122 0 1689 43.400 3.807 3.141 2 U 6.040e+03 0.00e+00 e 0 1121 1112 1123 0 1690 43.400 1.779 3.141 2 U 6.930e+03 0.00e+00 e 0 1121 1114 1123 0 1691 43.400 1.951 3.141 2 U 3.540e+03 0.00e+00 e 0 1121 1115 1123 0 1692 43.400 1.501 3.141 2 U 1.210e+04 0.00e+00 e 0 1121 1118 1123 0 1693 43.400 1.729 3.141 2 U 2.860e+04 0.00e+00 e 0 1121 1119 1123 0 1694 43.400 3.299 3.141 2 U 5.850e+04 0.00e+00 e 0 1121 1122 1123 0 1695 43.400 3.141 3.141 2 U 9.290e+04 0.00e+00 e 0 1121 1123 1123 0 1697 54.873 7.728 4.030 2 U -7.050e+03 0.00e+00 e 0 1137 1136 1138 0 1698 54.873 4.030 4.030 2 U -8.857e+04 0.00e+00 e 0 1137 1138 1138 0 1699 54.873 1.367 4.030 2 U -3.090e+04 0.00e+00 e 0 1137 1139 1138 0 1700 54.873 8.022 4.030 2 U -2.190e+03 0.00e+00 e 0 1137 1146 1138 0 1701 17.952 7.728 1.367 2 U -6.060e+04 0.00e+00 e 0 1140 1136 1139 0 1702 17.952 4.030 1.367 2 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0 1717 28.556 3.057 3.348 2 U 4.660e+04 0.00e+00 e 0 1149 1150 1151 0 1718 28.556 3.348 3.348 2 U 1.770e+04 0.00e+00 e 0 1149 1151 1151 0 1719 28.556 8.807 3.348 2 U 2.400e+03 0.00e+00 e 0 1149 1170 1151 0 1720 57.539 8.807 3.509 2 U -7.610e+03 0.00e+00 e 0 1171 1170 1172 0 1721 57.539 3.509 3.509 2 U -9.000e+04 0.00e+00 e 0 1171 1172 1172 0 1722 57.539 1.284 3.509 2 U -1.430e+04 0.00e+00 e 0 1171 1174 1172 0 1723 57.539 1.859 3.509 2 U -1.180e+04 0.00e+00 e 0 1171 1175 1172 0 1724 57.539 1.908 3.509 2 U -1.270e+04 0.00e+00 e 0 1171 1178 1172 0 1725 57.539 0.775 3.509 2 U -3.860e+04 0.00e+00 e 0 1171 1179 1172 0 1726 57.539 0.679 3.509 2 U -1.430e+04 0.00e+00 e 0 1171 1180 1172 0 1727 57.539 8.141 3.509 2 U -5.820e+03 0.00e+00 e 0 1171 1192 1172 0 1728 41.647 8.807 1.284 2 U 6.190e+03 0.00e+00 e 0 1173 1170 1174 0 1729 41.647 3.509 1.284 2 U 1.300e+04 0.00e+00 e 0 1173 1172 1174 0 1730 41.647 1.284 1.284 2 U 1.440e+05 0.00e+00 e 0 1173 1174 1174 0 1731 41.647 1.859 1.284 2 U 2.450e+04 0.00e+00 e 0 1173 1175 1174 0 1732 41.647 1.908 1.284 2 U 1.560e+04 0.00e+00 e 0 1173 1178 1174 0 1733 41.647 0.775 1.284 2 U 1.010e+04 0.00e+00 e 0 1173 1179 1174 0 1734 41.647 0.679 1.284 2 U 2.040e+04 0.00e+00 e 0 1173 1180 1174 0 1735 41.647 8.141 1.284 2 U 4.640e+03 0.00e+00 e 0 1173 1192 1174 0 1736 41.647 8.807 1.859 2 U 9.740e+03 0.00e+00 e 0 1173 1170 1175 0 1737 41.647 3.509 1.859 2 U 4.850e+03 0.00e+00 e 0 1173 1172 1175 0 1738 41.647 1.284 1.859 2 U 3.540e+04 0.00e+00 e 0 1173 1174 1175 0 1739 41.647 1.859 1.859 2 U 6.670e+03 0.00e+00 e 0 1173 1175 1175 0 1740 41.647 1.908 1.859 2 U 1.740e+04 0.00e+00 e 0 1173 1178 1175 0 1741 41.647 0.775 1.859 2 U 7.430e+03 0.00e+00 e 0 1173 1179 1175 0 1742 41.647 0.679 1.859 2 U 1.620e+04 0.00e+00 e 0 1173 1180 1175 0 1743 41.647 8.141 1.859 2 U 4.650e+03 0.00e+00 e 0 1173 1192 1175 0 1744 26.807 8.807 1.908 2 U 9.380e+03 0.00e+00 e 0 1177 1170 1178 0 1745 26.807 3.509 1.908 2 U 7.770e+03 0.00e+00 e 0 1177 1172 1178 0 1746 26.807 1.284 1.908 2 U 9.580e+03 0.00e+00 e 0 1177 1174 1178 0 1747 26.807 1.859 1.908 2 U 1.740e+04 0.00e+00 e 0 1177 1175 1178 0 1748 26.807 1.908 1.908 2 U 4.090e+04 0.00e+00 e 0 1177 1178 1178 0 1749 26.807 0.775 1.908 2 U 1.530e+04 0.00e+00 e 0 1177 1179 1178 0 1750 26.807 0.679 1.908 2 U 7.240e+03 0.00e+00 e 0 1177 1180 1178 0 1751 26.807 8.141 1.908 2 U 5.520e+02 0.00e+00 e 0 1177 1192 1178 0 1752 23.352 8.807 0.775 2 U 1.280e+04 0.00e+00 e 0 1181 1170 1179 0 1753 23.352 3.509 0.775 2 U 4.570e+04 0.00e+00 e 0 1181 1172 1179 0 1754 23.352 1.284 0.775 2 U 1.730e+04 0.00e+00 e 0 1181 1174 1179 0 1755 23.352 1.859 0.775 2 U 1.820e+04 0.00e+00 e 0 1181 1175 1179 0 1756 23.352 1.908 0.775 2 U 1.850e+04 0.00e+00 e 0 1181 1178 1179 0 1757 23.352 0.775 0.775 2 U 8.300e+04 0.00e+00 e 0 1181 1179 1179 0 1758 23.352 0.679 0.775 2 U 9.400e+04 0.00e+00 e 0 1181 1180 1179 0 1759 23.352 8.141 0.775 2 U 4.050e+03 0.00e+00 e 0 1181 1192 1179 0 1760 25.657 8.807 0.679 2 U 7.060e+03 0.00e+00 e 0 1185 1170 1180 0 1761 25.657 3.509 0.679 2 U 6.160e+03 0.00e+00 e 0 1185 1172 1180 0 1762 25.657 1.284 0.679 2 U 3.750e+04 0.00e+00 e 0 1185 1174 1180 0 1763 25.657 1.859 0.679 2 U 1.370e+04 0.00e+00 e 0 1185 1175 1180 0 1764 25.657 1.908 0.679 2 U 1.920e+04 0.00e+00 e 0 1185 1178 1180 0 1765 25.657 0.775 0.679 2 U 9.900e+04 0.00e+00 e 0 1185 1179 1180 0 1766 25.657 0.679 0.679 2 U 9.506e+04 0.00e+00 e 0 1185 1180 1180 0 1767 25.657 8.141 0.679 2 U 5.720e+02 0.00e+00 e 0 1185 1192 1180 0 1768 55.792 8.141 4.265 2 U -1.560e+04 0.00e+00 e 0 1193 1192 1194 0 1769 55.792 4.265 4.265 2 U -1.118e+05 0.00e+00 e 0 1193 1194 1194 0 1770 55.792 2.568 4.265 2 U -3.154e+04 0.00e+00 e 0 1193 1196 1194 0 1771 55.792 2.522 4.265 2 U -2.280e+04 0.00e+00 e 0 1193 1197 1194 0 1772 55.792 7.109 4.265 2 U -5.020e+03 0.00e+00 e 0 1193 1203 1194 0 1773 39.753 8.141 2.568 2 U 7.383e+03 0.00e+00 e 0 1195 1192 1196 0 1774 39.753 4.265 2.568 2 U 6.633e+03 0.00e+00 e 0 1195 1194 1196 0 1775 39.753 2.568 2.568 2 U 9.307e+04 0.00e+00 e 0 1195 1196 1196 0 1776 39.753 2.522 2.568 2 U 8.553e+04 0.00e+00 e 0 1195 1197 1196 0 1777 39.753 7.109 2.568 2 U 1.390e+03 0.00e+00 e 0 1195 1203 1196 0 1779 39.753 4.265 2.522 2 U 1.030e+04 0.00e+00 e 0 1195 1194 1197 0 1780 39.753 2.568 2.522 2 U 2.400e+05 0.00e+00 e 0 1195 1196 1197 0 1781 39.753 2.522 2.522 2 U 7.685e+04 0.00e+00 e 0 1195 1197 1197 0 1783 51.716 7.109 4.112 2 U -1.300e+04 0.00e+00 e 0 1204 1203 1205 0 1784 51.716 4.112 4.112 2 U -8.140e+04 0.00e+00 e 0 1204 1205 1205 0 1785 51.716 1.203 4.112 2 U -6.690e+04 0.00e+00 e 0 1204 1206 1205 0 1786 51.716 7.014 4.112 2 U -9.870e+03 0.00e+00 e 0 1204 1213 1205 0 1787 18.668 7.109 1.203 2 U -2.740e+04 0.00e+00 e 0 1207 1203 1206 0 1788 18.668 4.112 1.203 2 U -7.760e+04 0.00e+00 e 0 1207 1205 1206 0 1789 18.668 1.203 1.203 2 U -9.940e+04 0.00e+00 e 0 1207 1206 1206 0 1790 18.668 7.014 1.203 2 U -1.080e+04 0.00e+00 e 0 1207 1213 1206 0 1791 49.800 4.134 3.307 2 U 8.410e+02 0.00e+00 e 0 1223 1225 1234 0 1792 49.800 1.608 3.307 2 U 2.880e+03 0.00e+00 e 0 1223 1227 1234 0 1793 49.800 2.034 3.307 2 U 6.030e+03 0.00e+00 e 0 1223 1228 1234 0 1794 49.800 1.793 3.307 2 U 4.862e+03 0.00e+00 e 0 1223 1231 1234 0 1795 49.800 1.798 3.307 2 U 1.569e+04 0.00e+00 e 0 1223 1232 1234 0 1796 49.800 3.307 3.307 2 U 1.480e+05 0.00e+00 e 0 1223 1234 1234 0 1797 49.800 3.488 3.307 2 U 4.840e+03 0.00e+00 e 0 1223 1235 1234 0 1798 49.800 8.223 3.307 2 U 1.620e+03 0.00e+00 e 0 1223 1239 1234 0 1799 49.800 4.134 3.488 2 U 6.060e+03 0.00e+00 e 0 1223 1225 1235 0 1800 49.800 1.608 3.488 2 U 7.410e+03 0.00e+00 e 0 1223 1227 1235 0 1801 49.800 2.034 3.488 2 U 1.300e+04 0.00e+00 e 0 1223 1228 1235 0 1802 49.800 1.793 3.488 2 U 4.436e+03 0.00e+00 e 0 1223 1231 1235 0 1803 49.800 1.798 3.488 2 U 1.802e+04 0.00e+00 e 0 1223 1232 1235 0 1804 49.800 3.307 3.488 2 U 5.480e+04 0.00e+00 e 0 1223 1234 1235 0 1805 49.800 3.488 3.488 2 U 4.473e+04 0.00e+00 e 0 1223 1235 1235 0 1806 49.800 8.223 3.488 2 U -1.920e+03 0.00e+00 e 0 1223 1239 1235 0 1807 63.169 4.134 4.134 2 U -3.940e+05 0.00e+00 e 0 1224 1225 1225 0 1808 63.169 1.608 4.134 2 U -8.130e+03 0.00e+00 e 0 1224 1227 1225 0 1809 63.169 2.034 4.134 2 U -3.170e+04 0.00e+00 e 0 1224 1228 1225 0 1810 63.169 1.793 4.134 2 U -4.554e+03 0.00e+00 e 0 1224 1231 1225 0 1811 63.169 1.798 4.134 2 U -7.131e+03 0.00e+00 e 0 1224 1232 1225 0 1812 63.169 3.307 4.134 2 U -1.277e+03 0.00e+00 e 0 1224 1234 1225 0 1813 63.169 3.488 4.134 2 U -2.142e+03 0.00e+00 e 0 1224 1235 1225 0 1814 63.169 8.223 4.134 2 U -3.280e+04 0.00e+00 e 0 1224 1239 1225 0 1815 31.569 4.134 1.608 2 U 2.120e+04 0.00e+00 e 0 1226 1225 1227 0 1816 31.569 1.608 1.608 2 U 9.290e+05 0.00e+00 e 0 1226 1227 1227 0 1817 31.569 2.034 1.608 2 U 1.600e+05 0.00e+00 e 0 1226 1228 1227 0 1818 31.569 1.793 1.608 2 U 3.379e+04 0.00e+00 e 0 1226 1231 1227 0 1819 31.569 1.798 1.608 2 U 5.815e+04 0.00e+00 e 0 1226 1232 1227 0 1820 31.569 3.307 1.608 2 U 1.070e+04 0.00e+00 e 0 1226 1234 1227 0 1821 31.569 3.488 1.608 2 U 9.680e+03 0.00e+00 e 0 1226 1235 1227 0 1822 31.569 8.223 1.608 2 U 6.250e+03 0.00e+00 e 0 1226 1239 1227 0 1823 31.569 4.134 2.034 2 U 5.130e+04 0.00e+00 e 0 1226 1225 1228 0 1824 31.569 1.608 2.034 2 U 4.360e+04 0.00e+00 e 0 1226 1227 1228 0 1825 31.569 2.034 2.034 2 U 1.214e+05 0.00e+00 e 0 1226 1228 1228 0 1826 31.569 1.793 2.034 2 U 2.489e+04 0.00e+00 e 0 1226 1231 1228 0 1827 31.569 1.798 2.034 2 U 4.833e+04 0.00e+00 e 0 1226 1232 1228 0 1828 31.569 3.307 2.034 2 U 1.260e+04 0.00e+00 e 0 1226 1234 1228 0 1829 31.569 3.488 2.034 2 U 6.780e+03 0.00e+00 e 0 1226 1235 1228 0 1830 31.569 8.223 2.034 2 U 5.620e+03 0.00e+00 e 0 1226 1239 1228 0 1831 27.399 4.134 1.793 2 U 6.340e+04 2.60e+02 a 0 1230 1225 1231 0 1832 27.399 1.608 1.793 2 U 1.816e+04 0.00e+00 e 0 1230 1227 1231 0 1833 27.399 2.034 1.793 2 U 7.210e+04 0.00e+00 e 0 1230 1228 1231 0 1834 27.399 1.793 1.793 2 U 6.826e+04 0.00e+00 e 0 1230 1231 1231 0 1835 27.399 1.798 1.793 2 U 1.716e+05 0.00e+00 e 0 1230 1232 1231 0 1836 27.399 3.307 1.793 2 U 4.042e+04 0.00e+00 e 0 1230 1234 1231 0 1837 27.399 3.488 1.793 2 U 1.290e+05 8.10e+02 a 0 1230 1235 1231 0 1838 27.399 8.223 1.793 2 U 1.520e+03 0.00e+00 e 0 1230 1239 1231 0 1839 27.399 4.134 1.798 2 U 6.340e+04 2.60e+02 a 0 1230 1225 1232 0 1840 27.399 1.608 1.798 2 U 5.757e+04 0.00e+00 e 0 1230 1227 1232 0 1842 27.399 1.793 1.798 2 U 8.870e+04 0.00e+00 e 0 1230 1231 1232 0 1843 27.399 1.798 1.798 2 U 1.174e+05 0.00e+00 e 0 1230 1232 1232 0 1844 27.399 3.307 1.798 2 U 2.750e+04 0.00e+00 e 0 1230 1234 1232 0 1845 27.399 3.488 1.798 2 U 0.000e+00 0.00e+00 e 0 1230 1235 1232 0 1846 27.399 8.223 1.798 2 U 7.050e+02 0.00e+00 e 0 1230 1239 1232 0 1847 55.361 8.223 4.409 2 U -1.920e+04 0.00e+00 e 0 1240 1239 1241 0 1848 55.361 4.409 4.409 2 U -4.400e+04 0.00e+00 e 0 1240 1241 1241 0 1849 55.361 3.006 4.409 2 U -2.700e+04 0.00e+00 e 0 1240 1243 1241 0 1850 55.361 2.942 4.409 2 U -3.000e+04 0.00e+00 e 0 1240 1244 1241 0 1851 55.361 8.083 4.409 2 U -7.042e+03 0.00e+00 e 0 1240 1256 1241 0 1852 29.589 8.223 3.006 2 U 4.027e+03 0.00e+00 e 0 1242 1239 1243 0 1853 29.589 4.409 3.006 2 U 8.487e+03 0.00e+00 e 0 1242 1241 1243 0 1854 29.589 3.006 3.006 2 U 4.010e+05 0.00e+00 e 0 1242 1243 1243 0 1855 29.589 2.942 3.006 2 U 4.120e+05 0.00e+00 e 0 1242 1244 1243 0 1856 29.589 8.083 3.006 2 U 2.089e+03 0.00e+00 e 0 1242 1256 1243 0 1857 29.589 8.223 2.942 2 U 6.952e+03 0.00e+00 e 0 1242 1239 1244 0 1858 29.589 4.409 2.942 2 U 1.480e+04 0.00e+00 e 0 1242 1241 1244 0 1859 29.589 3.006 2.942 2 U 7.996e+04 0.00e+00 e 0 1242 1243 1244 0 1860 29.589 2.942 2.942 2 U 3.905e+05 0.00e+00 e 0 1242 1244 1244 0 1861 29.589 8.083 2.942 2 U 2.674e+03 0.00e+00 e 0 1242 1256 1244 0 1862 52.679 8.083 4.063 2 U -3.732e+03 0.00e+00 e 0 1257 1256 1258 0 1863 52.679 4.063 4.063 2 U -8.700e+04 0.00e+00 e 0 1257 1258 1258 0 1864 52.679 1.184 4.063 2 U -5.810e+04 0.00e+00 e 0 1257 1259 1258 0 1865 52.679 8.218 4.063 2 U -1.388e+04 0.00e+00 e 0 1257 1266 1258 0 1866 19.162 8.083 1.184 2 U -1.387e+04 0.00e+00 e 0 1260 1256 1259 0 1867 19.162 4.063 1.184 2 U -1.050e+05 0.00e+00 e 0 1260 1258 1259 0 1868 19.162 1.184 1.184 2 U -9.200e+04 0.00e+00 e 0 1260 1259 1259 0 1869 19.162 8.218 1.184 2 U -1.484e+04 0.00e+00 e 0 1260 1266 1259 0 1870 54.978 8.218 4.091 2 U -3.880e+04 0.00e+00 e 0 1267 1266 1268 0 1871 54.978 4.091 4.091 2 U -7.400e+04 0.00e+00 e 0 1267 1268 1268 0 1872 54.978 1.344 4.091 2 U -3.580e+04 0.00e+00 e 0 1267 1270 1268 0 1873 54.978 1.430 4.091 2 U -5.800e+03 0.00e+00 e 0 1267 1271 1268 0 1874 54.978 1.444 4.091 2 U -5.700e+03 0.00e+00 e 0 1267 1274 1268 0 1876 54.978 0.727 4.091 2 U -8.520e+03 0.00e+00 e 0 1267 1276 1268 0 1877 54.978 8.138 4.091 2 U -7.300e+03 0.00e+00 e 0 1267 1288 1268 0 1878 42.012 8.218 1.344 2 U 2.280e+04 0.00e+00 e 0 1269 1266 1270 0 1879 42.012 4.091 1.344 2 U 3.550e+04 0.00e+00 e 0 1269 1268 1270 0 1880 42.012 1.344 1.344 2 U 4.130e+04 0.00e+00 e 0 1269 1270 1270 0 1881 42.012 1.430 1.344 2 U 5.240e+04 0.00e+00 e 0 1269 1271 1270 0 1882 42.012 1.444 1.344 2 U 9.800e+03 0.00e+00 e 0 1269 1274 1270 0 1883 42.012 0.668 1.344 2 U 1.080e+04 0.00e+00 e 0 1269 1275 1270 0 1884 42.012 0.727 1.344 2 U 3.320e+04 0.00e+00 e 0 1269 1276 1270 0 1885 42.012 8.138 1.344 2 U 6.150e+03 0.00e+00 e 0 1269 1288 1270 0 1886 42.012 8.218 1.430 2 U 1.620e+04 0.00e+00 e 0 1269 1266 1271 0 1887 42.012 4.091 1.430 2 U 2.810e+04 0.00e+00 e 0 1269 1268 1271 0 1888 42.012 1.344 1.430 2 U 3.030e+04 0.00e+00 e 0 1269 1270 1271 0 1889 42.012 1.430 1.430 2 U 5.600e+03 0.00e+00 e 0 1269 1271 1271 0 1890 42.012 1.444 1.430 2 U 5.600e+03 0.00e+00 e 0 1269 1274 1271 0 1891 42.012 0.668 1.430 2 U 1.520e+04 0.00e+00 e 0 1269 1275 1271 0 1892 42.012 0.727 1.430 2 U 5.520e+04 0.00e+00 e 0 1269 1276 1271 0 1893 42.012 8.138 1.430 2 U 6.000e+03 0.00e+00 e 0 1269 1288 1271 0 1894 26.789 8.218 1.444 2 U 8.600e+03 0.00e+00 e 0 1273 1266 1274 0 1895 26.789 4.091 1.444 2 U -3.981e+04 0.00e+00 e 0 1273 1268 1274 0 1896 26.789 1.344 1.444 2 U 2.200e+04 0.00e+00 e 0 1273 1270 1274 0 1897 26.789 1.430 1.444 2 U 2.000e+04 0.00e+00 e 0 1273 1271 1274 0 1898 26.789 1.444 1.444 2 U 8.934e+04 0.00e+00 e 0 1273 1274 1274 0 1899 26.789 0.668 1.444 2 U 1.050e+04 0.00e+00 e 0 1273 1275 1274 0 1900 26.789 0.727 1.444 2 U -5.820e+03 0.00e+00 e 0 1273 1276 1274 0 1902 23.380 8.218 0.668 2 U 3.860e+03 0.00e+00 e 0 1277 1266 1275 0 1903 23.380 4.091 0.668 2 U 3.950e+04 0.00e+00 e 0 1277 1268 1275 0 1904 23.380 1.344 0.668 2 U 2.190e+04 0.00e+00 e 0 1277 1270 1275 0 1905 23.380 1.430 0.668 2 U 1.065e+04 0.00e+00 e 0 1277 1271 1275 0 1906 23.380 1.444 0.668 2 U 2.153e+03 0.00e+00 e 0 1277 1274 1275 0 1907 23.380 0.668 0.668 2 U 9.400e+04 0.00e+00 e 0 1277 1275 1275 0 1908 23.380 0.727 0.668 2 U 5.640e+03 0.00e+00 e 0 1277 1276 1275 0 1909 23.380 8.138 0.668 2 U 4.780e+03 0.00e+00 e 0 1277 1288 1275 0 1910 24.717 8.218 0.727 2 U 2.382e+03 0.00e+00 e 0 1281 1266 1276 0 1911 24.717 4.091 0.727 2 U 1.170e+04 0.00e+00 e 0 1281 1268 1276 0 1912 24.717 1.344 0.727 2 U 1.990e+04 0.00e+00 e 0 1281 1270 1276 0 1913 24.717 1.430 0.727 2 U 7.442e+03 0.00e+00 e 0 1281 1271 1276 0 1914 24.717 1.444 0.727 2 U 5.960e+02 0.00e+00 e 0 1281 1274 1276 0 1915 24.717 0.668 0.727 2 U 5.180e+04 0.00e+00 e 0 1281 1275 1276 0 1916 24.717 0.727 0.727 2 U 8.570e+04 0.00e+00 e 0 1281 1276 1276 0 1917 24.717 8.138 0.727 2 U 2.200e+03 0.00e+00 e 0 1281 1288 1276 0 1918 56.440 8.138 3.998 2 U -2.350e+04 0.00e+00 e 0 1289 1288 1290 0 1919 56.440 3.998 3.998 2 U -8.210e+04 0.00e+00 e 0 1289 1290 1290 0 1920 56.440 1.699 3.998 2 U -7.510e+03 0.00e+00 e 0 1289 1292 1290 0 1921 56.440 1.721 3.998 2 U -4.887e+03 0.00e+00 e 0 1289 1293 1290 0 1922 56.440 1.987 3.998 2 U -9.300e+03 0.00e+00 e 0 1289 1296 1290 0 1923 56.440 2.028 3.998 2 U -1.000e+04 0.00e+00 e 0 1289 1297 1290 0 1924 56.440 8.229 3.998 2 U -1.670e+04 0.00e+00 e 0 1289 1303 1290 0 1925 30.243 8.138 1.699 2 U 7.200e+03 0.00e+00 e 0 1291 1288 1292 0 1926 30.243 3.998 1.699 2 U 6.138e+03 0.00e+00 e 0 1291 1290 1292 0 1927 30.243 1.699 1.699 2 U 1.977e+05 0.00e+00 e 0 1291 1292 1292 0 1928 30.243 1.721 1.699 2 U 3.878e+05 0.00e+00 e 0 1291 1293 1292 0 1929 30.243 1.987 1.699 2 U 3.151e+04 0.00e+00 e 0 1291 1296 1292 0 1930 30.243 2.028 1.699 2 U 1.470e+04 0.00e+00 e 0 1291 1297 1292 0 1931 30.243 8.229 1.699 2 U 1.340e+03 0.00e+00 e 0 1291 1303 1292 0 1932 30.243 8.138 1.721 2 U 7.400e+03 0.00e+00 e 0 1291 1288 1293 0 1933 30.243 3.998 1.721 2 U 2.960e+04 0.00e+00 e 0 1291 1290 1293 0 1934 30.243 1.699 1.721 2 U 7.000e+04 0.00e+00 e 0 1291 1292 1293 0 1935 30.243 1.721 1.721 2 U 5.160e+04 0.00e+00 e 0 1291 1293 1293 0 1936 30.243 1.987 1.721 2 U 3.680e+04 0.00e+00 e 0 1291 1296 1293 0 1937 30.243 2.028 1.721 2 U 1.640e+04 0.00e+00 e 0 1291 1297 1293 0 1938 30.243 8.229 1.721 2 U 3.720e+03 0.00e+00 e 0 1291 1303 1293 0 1939 35.944 8.138 1.987 2 U 6.590e+03 0.00e+00 e 0 1295 1288 1296 0 1940 35.944 3.998 1.987 2 U 9.290e+03 0.00e+00 e 0 1295 1290 1296 0 1941 35.944 1.699 1.987 2 U 1.130e+04 0.00e+00 e 0 1295 1292 1296 0 1942 35.944 1.721 1.987 2 U 1.369e+04 0.00e+00 e 0 1295 1293 1296 0 1943 35.944 1.987 1.987 2 U 3.310e+05 0.00e+00 e 0 1295 1296 1296 0 1944 35.944 2.028 1.987 2 U 4.590e+05 0.00e+00 e 0 1295 1297 1296 0 1946 35.944 8.138 2.028 2 U 6.450e+03 0.00e+00 e 0 1295 1288 1297 0 1947 35.944 3.998 2.028 2 U 1.300e+04 0.00e+00 e 0 1295 1290 1297 0 1948 35.944 1.699 2.028 2 U 1.610e+04 0.00e+00 e 0 1295 1292 1297 0 1949 35.944 1.721 2.028 2 U 2.198e+04 0.00e+00 e 0 1295 1293 1297 0 1950 35.944 1.987 2.028 2 U 5.200e+04 0.00e+00 e 0 1295 1296 1297 0 1951 35.944 2.028 2.028 2 U 5.100e+04 0.00e+00 e 0 1295 1297 1297 0 1953 55.644 8.229 4.294 2 U 2.302e+03 0.00e+00 e 0 1304 1303 1305 0 1954 55.644 4.294 4.294 2 U -9.740e+04 0.00e+00 e 0 1304 1305 1305 0 1956 55.644 2.822 4.294 2 U -3.177e+03 0.00e+00 e 0 1304 1308 1305 0 1957 55.644 8.202 4.294 2 U -1.250e+03 0.00e+00 e 0 1304 1320 1305 0 1958 29.937 8.229 1.760 2 U 1.223e+03 0.00e+00 e 0 1306 1303 1307 0 1959 29.937 4.294 1.760 2 U -1.660e+02 0.00e+00 e 0 1306 1305 1307 0 1961 29.937 2.822 1.760 2 U 3.785e+03 0.00e+00 e 0 1306 1308 1307 0 1962 29.937 8.202 1.760 2 U 4.670e+02 0.00e+00 e 0 1306 1320 1307 0 1963 29.937 8.229 2.822 2 U 2.092e+03 0.00e+00 e 0 1306 1303 1308 0 1964 29.937 4.294 2.822 2 U -1.085e+03 0.00e+00 e 0 1306 1305 1308 0 1966 29.937 2.822 2.822 2 U 2.908e+06 0.00e+00 e 0 1306 1308 1308 0 1967 29.937 8.202 2.822 2 U 5.296e+03 0.00e+00 e 0 1306 1320 1308 0 1968 55.621 8.202 4.412 2 U -6.444e+03 0.00e+00 e 0 1321 1320 1322 0 1969 55.621 4.412 4.412 2 U -3.046e+06 0.00e+00 e 0 1321 1322 1322 0 1970 55.621 3.008 4.412 2 U -6.690e+02 0.00e+00 e 0 1321 1324 1322 0 1971 55.621 2.931 4.412 2 U -6.946e+03 0.00e+00 e 0 1321 1325 1322 0 1972 55.621 8.084 4.412 2 U -1.505e+03 0.00e+00 e 0 1321 1337 1322 0 1973 29.872 8.202 3.008 2 U 5.820e+02 0.00e+00 e 0 1323 1320 1324 0 1974 29.872 4.412 3.008 2 U 7.082e+03 0.00e+00 e 0 1323 1322 1324 0 1975 29.872 3.008 3.008 2 U 5.534e+05 0.00e+00 e 0 1323 1324 1324 0 1976 29.872 2.931 3.008 2 U 4.535e+05 0.00e+00 e 0 1323 1325 1324 0 1977 29.872 8.084 3.008 2 U 1.988e+03 0.00e+00 e 0 1323 1337 1324 0 1978 29.872 8.202 2.931 2 U 3.655e+03 0.00e+00 e 0 1323 1320 1325 0 1979 29.872 4.412 2.931 2 U 4.473e+03 0.00e+00 e 0 1323 1322 1325 0 1980 29.872 3.008 2.931 2 U 1.407e+05 0.00e+00 e 0 1323 1324 1325 0 1981 29.872 2.931 2.931 2 U 5.072e+05 0.00e+00 e 0 1323 1325 1325 0 1982 29.872 8.084 2.931 2 U 1.960e+03 0.00e+00 e 0 1323 1337 1325 0 1983 51.168 1.031 3.858 1 U -3.130e+04 0.00e+00 e 0 1214 1216 1215 0 1986 51.168 3.858 3.858 1 U -6.140e+05 0.00e+00 e 0 1214 1215 1215 0 1987 17.663 3.858 1.031 1 U -7.675e+04 0.00e+00 e 0 1217 1215 1216 0 1990 17.663 1.031 1.031 1 U -2.180e+06 0.00e+00 e 0 1217 1216 1216 0 1991 16.183 4.166 1.400 1 U -2.172e+04 0.00e+00 e 0 1040 1038 1039 0 1992 16.183 1.400 1.400 1 U -8.692e+04 0.00e+00 e 0 1040 1039 1039 0 1993 39.991 6.587 2.559 1 U 6.090e+03 0.00e+00 e 0 1005 1002 1007 0 1994 39.991 6.587 2.737 1 U 1.210e+04 0.00e+00 e 0 1005 1002 1006 0 1995 29.881 3.456 2.766 1 U 2.860e+04 0.00e+00 e 0 965 967 966 0 1996 29.881 2.766 2.766 1 U 1.080e+05 0.00e+00 e 0 965 966 966 0 1997 29.881 2.766 3.456 1 U 2.940e+04 0.00e+00 e 0 965 966 967 0 1998 55.490 4.000 4.000 1 U -5.592e+04 0.00e+00 e 0 963 964 964 0 2000 55.490 3.456 4.000 1 U -4.890e+03 0.00e+00 e 0 963 967 964 0 4501 130.849 4.756 6.208 2 U -2.513e+03 0.00e+00 e 0 98 89 94 0 4502 130.849 1.996 6.208 2 U -1.047e+04 0.00e+00 e 0 98 91 94 0 4503 130.849 2.337 6.208 2 U -8.941e+03 0.00e+00 e 0 98 92 94 0 4504 130.849 6.208 6.208 2 U -9.830e+04 0.00e+00 e 0 98 94 94 0 4505 130.849 6.287 6.208 2 U -8.382e+04 0.00e+00 e 0 98 95 94 0 4506 117.315 6.208 6.287 2 U -5.950e+04 0.00e+00 e 0 100 94 95 0 4507 117.315 6.287 6.287 2 U -8.390e+04 0.00e+00 e 0 100 95 95 0 4508 119.654 6.907 6.907 2 U -4.639e+04 0.00e+00 e 0 195 199 199 0 4511 135.654 7.907 7.907 2 U 2.462e+04 0.00e+00 e 0 197 200 200 0 4512 131.747 5.091 6.863 2 U 2.310e+02 0.00e+00 e 0 441 432 437 0 4513 131.747 2.428 6.863 2 U -9.377e+03 0.00e+00 e 0 441 434 437 0 4514 131.747 2.633 6.863 2 U -1.014e+04 0.00e+00 e 0 441 435 437 0 4515 131.747 6.863 6.863 2 U -1.104e+05 0.00e+00 e 0 441 437 437 0 4516 131.747 7.070 6.863 2 U -1.642e+03 0.00e+00 e 0 441 438 437 0 4517 131.747 7.101 6.863 2 U -1.542e+03 0.00e+00 e 0 441 446 437 0 4518 130.707 6.863 7.070 2 U -4.066e+03 0.00e+00 e 0 443 437 438 0 4519 130.707 7.070 7.070 2 U -2.714e+05 0.00e+00 e 0 443 438 438 0 4520 130.707 7.101 7.070 2 U -1.052e+04 0.00e+00 e 0 443 446 438 0 4521 130.651 6.863 7.101 2 U -2.778e+03 0.00e+00 e 0 445 437 446 0 4522 130.651 7.070 7.101 2 U -8.420e+04 0.00e+00 e 0 445 438 446 0 4523 130.651 7.101 7.101 2 U -5.385e+04 0.00e+00 e 0 445 446 446 0 4524 131.043 4.560 6.996 2 U -1.990e+03 0.00e+00 e 0 464 455 460 0 4525 131.043 2.734 6.996 2 U -5.628e+03 0.00e+00 e 0 464 457 460 0 4526 131.043 2.892 6.996 2 U -3.117e+03 0.00e+00 e 0 464 458 460 0 4527 131.043 6.996 6.996 2 U -1.732e+05 0.00e+00 e 0 464 460 460 0 4528 131.043 7.042 6.996 2 U -4.756e+04 0.00e+00 e 0 464 461 460 0 4529 131.043 7.025 6.996 2 U -6.816e+04 0.00e+00 e 0 464 469 460 0 4530 130.767 6.996 7.042 2 U -3.304e+04 0.00e+00 e 0 466 460 461 0 4531 130.767 7.042 7.042 2 U -6.081e+04 0.00e+00 e 0 466 461 461 0 4532 130.767 7.025 7.042 2 U -6.626e+04 0.00e+00 e 0 466 469 461 0 4533 129.778 6.996 7.025 2 U -4.513e+04 0.00e+00 e 0 468 460 469 0 4534 129.778 7.042 7.025 2 U -4.730e+04 0.00e+00 e 0 468 461 469 0 4535 129.778 7.025 7.025 2 U -4.580e+04 0.00e+00 e 0 468 469 469 0 4536 130.628 4.776 6.918 2 U -5.925e+03 0.00e+00 e 0 515 506 511 0 4537 130.628 2.784 6.918 2 U -6.050e+03 0.00e+00 e 0 515 508 511 0 4538 130.628 3.004 6.918 2 U -9.737e+03 0.00e+00 e 0 515 509 511 0 4539 130.628 6.918 6.918 2 U -3.262e+05 0.00e+00 e 0 515 511 511 0 4540 130.628 7.020 6.918 2 U -6.368e+04 0.00e+00 e 0 515 512 511 0 4541 130.628 7.046 6.918 2 U -1.071e+05 0.00e+00 e 0 515 520 511 0 4542 130.828 6.918 7.020 2 U -1.334e+04 0.00e+00 e 0 517 511 512 0 4543 130.828 7.020 7.020 2 U -1.140e+05 0.00e+00 e 0 517 512 512 0 4544 130.828 7.046 7.020 2 U -4.358e+04 0.00e+00 e 0 517 520 512 0 4545 128.932 6.918 7.046 2 U -1.228e+04 0.00e+00 e 0 519 511 520 0 4546 128.932 7.020 7.046 2 U -1.823e+05 0.00e+00 e 0 519 512 520 0 4547 128.932 7.046 7.046 2 U -3.325e+05 0.00e+00 e 0 519 520 520 0 4548 130.921 4.358 6.438 2 U -4.598e+03 0.00e+00 e 0 669 660 665 0 4549 130.921 2.399 6.438 2 U -3.203e+04 0.00e+00 e 0 669 662 665 0 4550 130.921 2.933 6.438 2 U -1.623e+04 0.00e+00 e 0 669 663 665 0 4551 130.921 6.438 6.438 2 U -1.615e+05 0.00e+00 e 0 669 665 665 0 4552 130.921 6.085 6.438 2 U -1.076e+04 0.00e+00 e 0 669 666 665 0 4553 116.817 6.438 6.085 2 U -3.215e+04 0.00e+00 e 0 671 665 666 0 4554 116.817 6.085 6.085 2 U -3.583e+05 0.00e+00 e 0 671 666 666 0 4555 126.805 4.000 7.014 2 U -8.900e+01 0.00e+00 e 0 970 964 975 0 4556 126.805 2.765 7.014 2 U -8.414e+03 0.00e+00 e 0 970 966 975 0 4557 126.805 3.455 7.014 2 U -6.410e+02 0.00e+00 e 0 970 967 975 0 4558 126.805 7.014 7.014 2 U -1.458e+05 0.00e+00 e 0 970 975 975 0 4560 126.805 10.247 7.014 2 U -3.385e+04 0.00e+00 e 0 970 979 975 0 4564 118.126 7.014 5.898 2 U -1.996e+03 0.00e+00 e 0 972 975 976 0 4565 118.126 5.898 5.898 2 U -5.605e+04 0.00e+00 e 0 972 976 976 0 4567 118.126 6.000 5.898 2 U -1.848e+04 0.00e+00 e 0 972 980 976 0 4571 121.795 5.898 6.000 2 U -7.305e+03 0.00e+00 e 0 977 976 980 0 4573 121.795 6.000 6.000 2 U -5.744e+04 0.00e+00 e 0 977 980 980 0 4575 121.795 6.765 6.000 2 U -1.011e+04 0.00e+00 e 0 977 983 980 0 4578 114.720 10.247 7.202 2 U -1.869e+04 0.00e+00 e 0 978 979 982 0 4580 114.720 7.202 7.202 2 U -3.138e+05 0.00e+00 e 0 978 982 982 0 4581 114.720 6.765 7.202 2 U -4.490e+04 0.00e+00 e 0 978 983 982 0 4585 124.416 6.000 6.765 2 U -1.196e+04 0.00e+00 e 0 981 980 983 0 4586 124.416 7.202 6.765 2 U -2.620e+04 0.00e+00 e 0 981 982 983 0 4587 124.416 6.765 6.765 2 U -1.411e+05 0.00e+00 e 0 981 983 983 0 4588 132.555 4.288 6.578 2 U -2.794e+03 0.00e+00 e 0 1013 1004 1009 0 4589 132.555 2.737 6.578 2 U -8.033e+03 0.00e+00 e 0 1013 1006 1009 0 4590 132.555 2.559 6.578 2 U -1.051e+04 0.00e+00 e 0 1013 1007 1009 0 4591 132.555 6.578 6.578 2 U -2.796e+04 0.00e+00 e 0 1013 1009 1009 0 4592 132.555 7.020 6.578 2 U -1.227e+04 0.00e+00 e 0 1013 1010 1009 0 4593 132.555 6.712 6.578 2 U -2.437e+03 0.00e+00 e 0 1013 1018 1009 0 4594 129.655 6.578 7.020 2 U -1.082e+04 0.00e+00 e 0 1015 1009 1010 0 4595 129.655 7.020 7.020 2 U -3.870e+04 0.00e+00 e 0 1015 1010 1010 0 4596 129.655 6.712 7.020 2 U -9.539e+03 0.00e+00 e 0 1015 1018 1010 0 4597 128.640 6.578 6.712 2 U -1.584e+04 0.00e+00 e 0 1017 1009 1018 0 4598 128.640 7.020 6.712 2 U -3.557e+03 0.00e+00 e 0 1017 1010 1018 0 4599 128.640 6.712 6.712 2 U -2.270e+04 0.00e+00 e 0 1017 1018 1018 0 4600 127.438 4.203 7.110 2 U -2.783e+03 0.00e+00 e 0 1154 1148 1159 0 4601 127.438 3.057 7.110 2 U -2.986e+03 0.00e+00 e 0 1154 1150 1159 0 4602 127.438 3.348 7.110 2 U -6.240e+02 0.00e+00 e 0 1154 1151 1159 0 4603 127.438 7.110 7.110 2 U -4.338e+04 0.00e+00 e 0 1154 1159 1159 0 4605 127.438 9.856 7.110 2 U -1.614e+04 0.00e+00 e 0 1154 1163 1159 0 4610 118.928 7.129 7.129 2 U -4.216e+04 0.00e+00 e 0 1156 1160 1160 0 4611 118.928 9.856 7.129 2 U -3.600e+01 0.00e+00 e 0 1156 1163 1160 0 4612 118.928 6.452 7.129 2 U -1.255e+04 0.00e+00 e 0 1156 1164 1160 0 4616 120.594 7.129 6.452 2 U -3.996e+03 0.00e+00 e 0 1161 1160 1164 0 4617 120.594 9.856 6.452 2 U 5.400e+01 0.00e+00 e 0 1161 1163 1164 0 4618 120.594 6.452 6.452 2 U -8.930e+04 0.00e+00 e 0 1161 1164 1164 0 4619 120.594 6.684 6.452 2 U -2.318e+03 0.00e+00 e 0 1161 1166 1164 0 4620 120.594 6.517 6.452 2 U -1.951e+04 0.00e+00 e 0 1161 1167 1164 0 4623 114.320 9.856 6.684 2 U -8.068e+03 0.00e+00 e 0 1162 1163 1166 0 4624 114.320 6.452 6.684 2 U -6.122e+03 0.00e+00 e 0 1162 1164 1166 0 4625 114.320 6.684 6.684 2 U -8.530e+04 0.00e+00 e 0 1162 1166 1166 0 4626 114.320 6.517 6.684 2 U -1.924e+04 0.00e+00 e 0 1162 1167 1166 0 4629 122.628 9.856 6.517 2 U 1.444e+03 0.00e+00 e 0 1165 1163 1167 0 4630 122.628 6.452 6.517 2 U -1.515e+04 0.00e+00 e 0 1165 1164 1167 0 4631 122.628 6.684 6.517 2 U -1.284e+04 0.00e+00 e 0 1165 1166 1167 0 4632 122.628 6.517 6.517 2 U -9.363e+04 0.00e+00 e 0 1165 1167 1167 0 4633 119.467 4.410 6.988 2 U -1.760e+03 0.00e+00 e 0 1248 1241 1252 0 4634 119.467 3.003 6.988 2 U -2.694e+03 0.00e+00 e 0 1248 1243 1252 0 4635 119.467 2.939 6.988 2 U -7.492e+03 0.00e+00 e 0 1248 1244 1252 0 4636 119.467 6.988 6.988 2 U -9.852e+05 0.00e+00 e 0 1248 1252 1252 0 4637 119.467 8.245 6.988 2 U -2.946e+03 0.00e+00 e 0 1248 1253 1252 0 4639 136.487 8.245 8.245 2 U 1.423e+03 0.00e+00 e 0 1250 1253 1253 0 5001 57.371 2.083 4.166 1 U -9.360e+03 0.00e+00 e 0 236 278 237 0 5002 57.371 7.697 4.166 1 U -7.449e+03 0.00e+00 e 0 236 274 237 0 5003 57.139 7.850 4.166 1 U -9.810e+02 0.00e+00 e 0 1037 1062 1038 0 5004 57.139 8.447 4.166 1 U -9.421e+03 0.00e+00 e 0 1037 1088 1038 0 5005 57.139 8.732 4.166 1 U -2.685e+03 0.00e+00 e 0 1037 1110 1038 0 5009 57.139 1.550 4.166 1 U -9.879e+03 0.00e+00 e 0 1037 1093 1038 0 5010 57.139 1.180 4.166 1 U -8.592e+03 0.00e+00 e 0 1037 0 1038 0 5011 57.371 0.866 4.166 1 U -1.590e+04 0.00e+00 e 0 236 280 237 0 5013 57.139 0.445 4.166 1 U -9.986e+03 0.00e+00 e 0 1037 1098 1038 0 5014 57.139 0.330 4.166 1 U -2.320e+03 0.00e+00 e 0 1037 0 1038 0 5027 58.794 7.041 3.921 1 U -9.800e+02 0.00e+00 e 0 247 259 248 0 5028 58.794 6.746 3.921 1 U -1.090e+03 0.00e+00 e 0 247 983 248 0 5044 58.794 2.545 3.921 1 U -5.270e+03 0.00e+00 e 0 247 239 248 0 5050 29.402 6.761 2.083 1 U 3.913e+03 0.00e+00 e 0 249 983 251 0 5053 34.893 7.029 2.335 1 U 4.050e+03 0.00e+00 e 0 253 259 255 0 5054 34.893 6.844 2.335 1 U 2.640e+03 0.00e+00 e 0 253 260 255 0 5055 55.267 8.060 3.927 1 U -8.940e+03 0.00e+00 e 0 265 307 266 0 5058 55.267 7.020 3.927 1 U -8.660e+03 0.00e+00 e 0 265 1010 266 0 5060 55.267 6.000 3.927 1 U -1.060e+04 0.00e+00 e 0 265 980 266 0 5061 55.267 5.898 3.927 1 U -2.740e+03 0.00e+00 e 0 265 976 266 0 5063 18.721 6.728 1.185 1 U -1.410e+04 0.00e+00 e 0 268 1018 267 0 5064 18.721 6.578 1.185 1 U -1.860e+03 0.00e+00 e 0 268 1009 267 0 5065 18.721 5.997 1.185 1 U -4.590e+03 0.00e+00 e 0 268 980 267 0 5066 18.721 5.898 1.185 1 U -2.730e+03 0.00e+00 e 0 268 976 267 0 5067 18.721 3.508 1.185 1 U -4.226e+04 0.00e+00 e 0 268 227 267 0 5068 18.721 2.908 1.185 1 U -3.260e+03 0.00e+00 e 0 268 229 267 0 5069 18.721 2.205 1.185 1 U -8.270e+03 0.00e+00 e 0 268 759 267 0 5070 18.721 1.674 1.185 1 U -6.120e+03 0.00e+00 e 0 268 758 267 0 5071 18.721 1.491 1.185 1 U -3.360e+03 0.00e+00 e 0 268 763 267 0 5074 18.721 0.583 1.185 1 U -2.010e+04 0.00e+00 e 0 268 75 267 0 5075 18.721 0.374 1.185 1 U -1.510e+04 0.00e+00 e 0 268 74 267 0 5077 18.721 -0.198 1.185 1 U -4.360e+03 0.00e+00 e 0 268 326 267 0 5079 55.267 1.431 3.927 1 U -1.730e+04 0.00e+00 e 0 265 310 266 0 5081 55.267 2.007 3.927 1 U -3.970e+03 0.00e+00 e 0 265 250 266 0 5091 34.873 1.185 2.205 1 U 3.610e+03 0.00e+00 e 0 757 267 759 0 5092 34.873 0.583 2.205 1 U 1.400e+04 0.00e+00 e 0 757 75 759 0 5094 34.893 2.545 2.200 1 U 1.740e+03 0.00e+00 e 0 253 239 254 0 5098 34.893 1.687 2.335 1 U 2.220e+03 0.00e+00 e 0 253 0 255 0 5099 34.893 2.459 2.335 1 U 2.630e+04 0.00e+00 e 0 253 0 255 0 5100 34.893 2.615 2.335 1 U 2.920e+03 0.00e+00 e 0 253 240 255 0 5101 34.893 3.413 2.335 1 U 1.371e+03 0.00e+00 e 0 253 205 255 0 5103 67.077 7.884 3.213 1 U -9.384e+03 0.00e+00 e 0 275 317 276 0 5106 23.116 7.858 0.866 1 U 6.230e+03 0.00e+00 e 0 285 264 280 0 5107 23.116 7.083 0.866 1 U 1.951e+04 0.00e+00 e 0 285 446 280 0 5110 67.077 1.636 3.213 1 U -1.110e+04 0.00e+00 e 0 275 322 276 0 5111 67.077 1.138 3.213 1 U -1.860e+03 0.00e+00 e 0 275 321 276 0 5114 67.077 0.374 3.213 1 U -1.050e+04 0.00e+00 e 0 275 74 276 0 5115 67.077 -0.198 3.213 1 U -2.900e+04 0.00e+00 e 0 275 326 276 0 5117 31.682 4.166 2.076 1 U 9.072e+03 0.00e+00 e 0 277 237 278 0 5118 21.181 4.166 0.916 1 U -1.449e+03 0.00e+00 e 0 281 237 279 0 5119 21.181 7.215 0.916 1 U -9.990e+02 0.00e+00 e 0 281 0 279 0 5120 21.181 7.101 0.916 1 U -1.710e+04 0.00e+00 e 0 281 446 279 0 5126 23.116 4.166 0.866 1 U 3.490e+02 0.00e+00 e 0 285 237 280 0 5129 21.181 0.583 0.916 1 U -1.190e+03 0.00e+00 e 0 281 75 279 0 5130 21.181 0.374 0.916 1 U 2.520e+02 0.00e+00 e 0 281 74 279 0 5131 21.181 -0.198 0.916 1 U -5.360e+03 0.00e+00 e 0 281 326 279 0 5132 23.116 0.583 0.866 1 U 3.000e+04 0.00e+00 e 0 285 75 280 0 5134 23.116 0.374 0.866 1 U 8.160e+04 0.00e+00 e 0 285 74 280 0 5137 23.116 -0.198 0.866 1 U 1.910e+04 0.00e+00 e 0 285 326 280 0 5146 23.116 3.512 0.866 1 U 6.569e+03 0.00e+00 e 0 285 227 280 0 5148 21.181 1.480 0.916 1 U -3.130e+03 0.00e+00 e 0 281 342 279 0 5149 31.682 1.480 2.076 1 U 2.100e+03 0.00e+00 e 0 277 342 278 0 5154 58.748 1.480 4.075 1 U -5.020e+04 0.00e+00 e 0 293 342 294 0 5158 58.748 0.916 4.075 1 U -6.020e+03 0.00e+00 e 0 293 279 294 0 5159 58.748 7.886 4.075 1 U -3.240e+03 0.00e+00 e 0 293 317 294 0 5160 58.748 8.528 4.075 1 U -2.100e+03 0.00e+00 e 0 293 349 294 0 5161 58.748 7.697 4.075 1 U -5.600e+02 0.00e+00 e 0 293 274 294 0 5162 29.070 6.809 1.986 1 U 5.800e+02 0.00e+00 e 0 295 363 296 0 5165 29.070 7.676 1.955 1 U 3.480e+03 0.00e+00 e 0 295 0 297 0 5169 35.809 1.480 2.246 1 U 1.077e+03 0.00e+00 e 0 299 342 300 0 5170 35.809 1.480 2.155 1 U 1.257e+03 0.00e+00 e 0 299 342 301 0 5172 35.809 0.916 2.155 1 U 2.760e+03 0.00e+00 e 0 299 279 301 0 5173 35.809 3.943 2.155 1 U 4.854e+03 0.00e+00 e 0 299 248 301 0 5174 35.809 3.920 2.246 1 U 4.420e+03 0.00e+00 e 0 299 248 300 0 5176 35.809 7.600 2.155 1 U 7.840e+02 0.00e+00 e 0 299 362 301 0 5177 35.809 7.598 2.246 1 U 5.830e+02 0.00e+00 e 0 299 362 300 0 5178 35.809 7.848 2.246 1 U 2.080e+03 0.00e+00 e 0 299 0 300 0 5183 17.056 9.061 1.431 1 U -6.739e+03 0.00e+00 e 0 311 1036 310 0 5184 17.056 7.423 1.431 1 U -1.038e+03 0.00e+00 e 0 311 292 310 0 5185 17.056 7.020 1.431 1 U -2.606e+04 0.00e+00 e 0 311 1010 310 0 5186 17.056 6.578 1.431 1 U -1.560e+04 0.00e+00 e 0 311 1009 310 0 5187 17.056 6.766 1.431 1 U -2.500e+03 0.00e+00 e 0 311 0 310 0 5188 17.056 5.993 1.431 1 U -2.400e+03 0.00e+00 e 0 311 980 310 0 5189 58.797 7.772 3.514 1 U -4.560e+03 0.00e+00 e 0 318 403 319 0 5190 17.056 4.542 1.431 1 U -1.490e+04 0.00e+00 e 0 311 1027 310 0 5191 17.056 3.924 1.431 1 U -4.010e+04 0.00e+00 e 0 311 266 310 0 5192 17.056 3.517 1.431 1 U -1.170e+04 0.00e+00 e 0 311 319 310 0 5193 58.797 0.445 3.514 1 U -2.230e+04 0.00e+00 e 0 318 1098 319 0 5194 41.141 0.445 1.147 1 U 1.380e+03 0.00e+00 e 0 320 1098 321 0 5195 17.056 0.445 1.431 1 U -3.750e+04 0.00e+00 e 0 311 1098 310 0 5196 17.056 0.324 1.431 1 U -1.790e+03 0.00e+00 e 0 311 797 310 0 5197 17.056 1.185 1.431 1 U -1.484e+04 0.00e+00 e 0 311 267 310 0 5199 17.056 -0.194 1.431 1 U -2.700e+03 0.00e+00 e 0 311 326 310 0 5201 17.056 2.083 1.431 1 U -1.040e+03 0.00e+00 e 0 311 354 310 0 5202 55.239 1.957 4.085 1 U -6.710e+02 0.00e+00 e 0 308 353 309 0 5203 55.239 2.083 4.085 1 U -9.912e+03 0.00e+00 e 0 308 354 309 0 5205 41.141 3.210 1.147 1 U 2.007e+03 0.00e+00 e 0 320 276 321 0 5206 41.141 3.216 1.641 1 U 5.580e+03 0.00e+00 e 0 320 276 322 0 5207 27.745 7.020 1.255 1 U 1.070e+03 0.00e+00 e 0 324 1010 325 0 5208 24.942 7.075 -0.193 1 U 1.480e+04 0.00e+00 e 0 328 438 326 0 5209 24.942 6.863 -0.193 1 U 6.880e+03 0.00e+00 e 0 328 437 326 0 5210 25.141 7.082 0.330 1 U 3.600e+03 0.00e+00 e 0 332 438 327 0 5211 25.141 6.863 0.330 1 U 6.400e+03 0.00e+00 e 0 332 437 327 0 5212 25.141 7.775 0.330 1 U 4.100e+03 0.00e+00 e 0 332 403 327 0 5214 25.141 8.232 0.330 1 U 3.320e+03 0.00e+00 e 0 332 413 327 0 5215 24.942 7.697 -0.193 1 U 9.900e+02 0.00e+00 e 0 328 274 326 0 5216 24.942 8.078 -0.193 1 U 2.020e+03 0.00e+00 e 0 328 0 326 0 5217 54.847 7.769 4.101 1 U -8.170e+03 0.00e+00 e 0 340 377 341 0 5219 17.788 8.251 1.480 1 U -5.170e+03 0.00e+00 e 0 343 367 342 0 5220 17.788 7.886 1.480 1 U -6.897e+03 0.00e+00 e 0 343 317 342 0 5221 17.788 7.743 1.480 1 U 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e 0 328 40 326 0 5240 24.942 0.730 -0.193 1 U 1.790e+04 0.00e+00 e 0 328 0 326 0 5244 25.141 -0.631 0.330 1 U 2.620e+03 0.00e+00 e 0 332 1097 327 0 5247 58.333 7.776 3.902 1 U -2.560e+03 0.00e+00 e 0 350 377 351 0 5248 33.509 7.598 2.330 1 U 9.770e+03 0.00e+00 e 0 356 362 357 0 5249 33.509 7.598 2.484 1 U 6.631e+03 0.00e+00 e 0 356 362 358 0 5250 33.509 6.802 2.484 1 U 1.996e+03 0.00e+00 e 0 356 363 358 0 5251 33.509 6.815 2.330 1 U 2.970e+03 0.00e+00 e 0 356 363 357 0 5252 33.509 4.087 2.330 1 U 2.450e+03 0.00e+00 e 0 356 309 357 0 5253 33.509 4.085 2.484 1 U 5.250e+03 0.00e+00 e 0 356 309 358 0 5255 58.333 1.480 3.902 1 U -1.871e+03 0.00e+00 e 0 350 342 351 0 5256 33.509 1.400 2.330 1 U 3.922e+03 0.00e+00 e 0 356 1039 357 0 5257 33.509 1.400 2.484 1 U 2.579e+03 0.00e+00 e 0 356 1039 358 0 5258 19.359 8.539 1.316 1 U -3.481e+03 0.00e+00 e 0 371 349 370 0 5259 19.359 8.732 1.316 1 U -1.872e+03 0.00e+00 e 0 371 1110 370 0 5260 56.259 8.229 3.884 1 U -2.950e+03 0.00e+00 e 0 378 413 379 0 5263 19.359 3.819 1.316 1 U -1.600e+04 0.00e+00 e 0 371 1112 370 0 5264 19.359 3.510 1.316 1 U -2.720e+04 0.00e+00 e 0 371 319 370 0 5265 19.359 3.141 1.316 1 U -5.200e+02 0.00e+00 e 0 371 1123 370 0 5267 19.359 0.680 1.316 1 U -2.100e+04 0.00e+00 e 0 371 1180 370 0 5268 19.359 0.445 1.316 1 U -1.622e+04 0.00e+00 e 0 371 1098 370 0 5269 19.359 0.330 1.316 1 U -9.730e+03 0.00e+00 e 0 371 327 370 0 5270 19.359 1.531 1.316 1 U -1.450e+04 0.00e+00 e 0 371 1093 370 0 5274 56.259 1.316 3.884 1 U -5.260e+03 0.00e+00 e 0 378 370 379 0 5275 56.259 1.174 3.884 1 U -7.520e+03 0.00e+00 e 0 378 406 379 0 5276 19.359 1.779 1.316 1 U -1.020e+04 0.00e+00 e 0 371 1114 370 0 5277 19.359 1.951 1.316 1 U -7.740e+03 0.00e+00 e 0 371 1115 370 0 5278 51.854 1.779 4.140 1 U -2.360e+03 0.00e+00 e 0 368 1114 369 0 5282 43.422 7.042 3.075 1 U 1.210e+04 0.00e+00 e 0 388 393 389 0 5287 20.855 6.863 1.163 1 U -5.450e+03 0.00e+00 e 0 407 437 406 0 5288 20.855 3.523 1.163 1 U -3.210e+04 0.00e+00 e 0 407 319 406 0 5289 53.479 3.530 3.767 1 U -2.830e+03 0.00e+00 e 0 404 416 405 0 5291 53.479 0.681 3.767 1 U -1.680e+04 0.00e+00 e 0 404 1180 405 0 5292 20.855 0.797 1.163 1 U -1.260e+04 0.00e+00 e 0 407 1179 406 0 5293 20.855 0.678 1.163 1 U -3.770e+04 0.00e+00 e 0 407 1180 406 0 5294 20.855 0.330 1.163 1 U -8.770e+04 0.00e+00 e 0 407 327 406 0 5295 20.855 -0.204 1.163 1 U -1.120e+04 0.00e+00 e 0 407 326 406 0 5296 20.855 0.445 1.163 1 U -3.020e+04 0.00e+00 e 0 407 1098 406 0 5298 19.068 8.230 1.088 1 U -1.600e+03 0.00e+00 e 0 424 413 423 0 5299 52.593 8.243 4.000 1 U -1.144e+03 0.00e+00 e 0 421 413 422 0 5300 41.961 6.863 2.428 1 U 8.310e+03 0.00e+00 e 0 433 437 434 0 5301 41.961 6.863 2.630 1 U 1.040e+04 0.00e+00 e 0 433 437 435 0 5302 52.593 6.863 4.000 1 U -2.980e+03 0.00e+00 e 0 421 437 422 0 5304 19.068 3.520 1.088 1 U -3.760e+03 0.00e+00 e 0 424 416 423 0 5305 41.961 1.616 2.428 1 U 3.860e+03 0.00e+00 e 0 433 35 434 0 5306 41.961 1.616 2.630 1 U 1.050e+04 0.00e+00 e 0 433 35 435 0 5310 41.961 0.330 2.428 1 U 2.020e+03 0.00e+00 e 0 433 327 434 0 5311 41.961 0.820 2.428 1 U 1.420e+03 0.00e+00 e 0 433 39 434 0 5312 41.961 0.820 2.630 1 U 1.260e+03 0.00e+00 e 0 433 39 435 0 5313 41.961 0.330 2.630 1 U 1.960e+03 0.00e+00 e 0 433 327 435 0 5314 40.706 6.996 2.893 1 U 8.510e+03 0.00e+00 e 0 456 460 458 0 5315 40.706 0.825 2.734 1 U 2.140e+03 0.00e+00 e 0 456 0 457 0 5316 40.706 0.417 2.734 1 U 2.430e+03 0.00e+00 e 0 456 491 457 0 5317 40.706 0.274 2.734 1 U 2.930e+03 0.00e+00 e 0 456 57 457 0 5319 40.706 0.391 2.893 1 U 4.540e+03 0.00e+00 e 0 456 491 458 0 5320 40.706 0.274 2.893 1 U 3.846e+03 0.00e+00 e 0 456 57 458 0 5322 33.924 1.400 1.087 1 U 2.800e+03 0.00e+00 e 0 489 0 490 0 5323 33.924 0.274 1.087 1 U 6.830e+03 0.00e+00 e 0 489 57 490 0 5326 21.181 0.779 0.397 1 U -3.900e+03 0.00e+00 e 0 493 610 491 0 5327 21.181 2.897 0.397 1 U -3.520e+03 0.00e+00 e 0 493 458 491 0 5331 21.181 4.909 0.397 1 U -5.620e+03 0.00e+00 e 0 493 478 491 0 5332 21.181 6.208 0.397 1 U -3.941e+03 0.00e+00 e 0 493 94 491 0 5333 21.181 6.287 0.397 1 U -7.103e+03 0.00e+00 e 0 493 95 491 0 5334 21.188 8.546 0.682 1 U -5.305e+03 0.00e+00 e 0 497 527 492 0 5335 39.209 8.097 2.784 1 U 1.200e+03 0.00e+00 e 0 507 548 508 0 5336 39.209 6.918 2.784 1 U 3.110e+03 0.00e+00 e 0 507 511 508 0 5338 39.209 6.918 3.009 1 U 4.680e+03 0.00e+00 e 0 507 511 509 0 5339 62.108 0.723 4.092 1 U -1.840e+04 0.00e+00 e 0 528 0 529 0 5341 18.482 2.397 0.823 1 U -8.700e+03 0.00e+00 e 0 533 662 532 0 5342 18.482 2.945 0.823 1 U -1.719e+03 0.00e+00 e 0 533 663 532 0 5343 15.982 2.049 0.597 1 U -5.900e+03 0.00e+00 e 0 542 606 541 0 5344 15.982 2.191 0.597 1 U -2.050e+04 0.00e+00 e 0 542 631 541 0 5345 15.982 2.399 0.597 1 U -1.611e+04 0.00e+00 e 0 542 662 541 0 5346 15.982 2.945 0.597 1 U -4.681e+03 0.00e+00 e 0 542 663 541 0 5347 15.982 3.486 0.597 1 U -2.030e+04 0.00e+00 e 0 542 684 541 0 5348 15.982 3.787 0.597 1 U -6.920e+04 0.00e+00 e 0 542 625 541 0 5349 38.267 2.049 1.799 1 U 1.003e+04 0.00e+00 e 0 530 606 531 0 5350 38.267 2.185 1.799 1 U 3.730e+03 0.00e+00 e 0 530 631 531 0 5351 62.108 2.049 4.092 1 U -5.910e+03 0.00e+00 e 0 528 606 529 0 5352 62.108 2.945 4.092 1 U -3.577e+03 0.00e+00 e 0 528 575 529 0 5354 62.108 1.214 4.092 1 U -7.710e+03 0.00e+00 e 0 528 605 529 0 5355 62.108 6.208 4.092 1 U -4.950e+03 0.00e+00 e 0 528 94 529 0 5356 18.482 4.776 0.823 1 U -7.820e+03 0.00e+00 e 0 533 506 532 0 5357 18.482 6.208 0.823 1 U -1.740e+04 0.00e+00 e 0 533 94 532 0 5358 18.482 6.287 0.823 1 U -8.000e+02 0.00e+00 e 0 533 95 532 0 5359 18.482 6.448 0.823 1 U -2.790e+03 0.00e+00 e 0 533 665 532 0 5360 15.982 4.168 0.597 1 U -1.188e+04 0.00e+00 e 0 542 683 541 0 5361 15.982 4.384 0.597 1 U -1.101e+03 0.00e+00 e 0 542 690 541 0 5362 15.982 6.438 0.597 1 U -5.300e+03 0.00e+00 e 0 542 665 541 0 5364 18.482 1.996 0.823 1 U -1.787e+04 0.00e+00 e 0 533 91 532 0 5366 15.982 1.553 0.597 1 U -8.120e+03 0.00e+00 e 0 542 0 541 0 5367 25.274 1.378 0.980 1 U 3.600e+03 0.00e+00 e 0 537 136 539 0 5368 25.525 3.502 1.122 1 U 7.560e+03 0.00e+00 e 0 761 227 762 0 5373 42.823 1.656 2.228 1 U 1.453e+03 0.00e+00 e 0 573 609 574 0 5374 42.823 0.830 2.228 1 U 8.590e+03 0.00e+00 e 0 573 611 574 0 5375 42.823 0.823 2.945 1 U 7.020e+03 0.00e+00 e 0 573 611 575 0 5376 42.823 1.224 2.945 1 U 2.110e+03 0.00e+00 e 0 573 605 575 0 5377 42.823 1.230 2.228 1 U 1.400e+03 0.00e+00 e 0 573 605 574 0 5378 55.393 2.188 3.970 1 U -1.162e+04 0.00e+00 e 0 582 631 583 0 5379 55.393 1.863 3.970 1 U -6.750e+03 0.00e+00 e 0 582 627 583 0 5381 42.823 8.303 2.945 1 U 1.080e+03 0.00e+00 e 0 573 601 575 0 5382 42.823 8.303 2.228 1 U 2.510e+03 0.00e+00 e 0 573 601 574 0 5386 55.393 9.136 3.970 1 U -7.460e+03 0.00e+00 e 0 582 623 583 0 5391 41.604 1.799 2.049 1 U 2.010e+03 0.00e+00 e 0 604 531 606 0 5392 41.604 2.945 2.049 1 U 4.970e+03 0.00e+00 e 0 604 575 606 0 5393 26.727 1.339 1.656 1 U 2.230e+03 0.00e+00 e 0 608 594 609 0 5394 22.592 1.339 0.779 1 U 3.730e+03 0.00e+00 e 0 612 594 610 0 5395 23.352 3.805 0.775 1 U 8.310e+03 0.00e+00 e 0 1181 1112 1179 0 5396 59.859 3.489 3.787 1 U -5.600e+02 0.00e+00 e 0 624 684 625 0 5402 59.859 8.432 3.787 1 U -1.021e+04 0.00e+00 e 0 624 681 625 0 5403 35.676 8.439 2.190 1 U 8.000e+02 0.00e+00 e 0 630 681 632 0 5405 61.342 4.177 3.995 1 U -8.880e+03 0.00e+00 e 0 639 0 640 0 5406 35.676 1.137 2.190 1 U 3.958e+03 0.00e+00 e 0 630 538 632 0 5407 35.676 0.971 2.190 1 U 3.300e+02 0.00e+00 e 0 630 539 632 0 5409 35.676 0.597 2.190 1 U 5.904e+03 0.00e+00 e 0 630 541 632 0 5410 61.342 1.869 3.995 1 U -4.130e+03 0.00e+00 e 0 639 627 640 0 5411 61.342 0.725 3.995 1 U -8.720e+02 0.00e+00 e 0 639 651 640 0 5414 54.364 4.398 3.859 1 U -8.900e+03 0.00e+00 e 0 649 0 650 0 5415 62.440 4.756 3.782 1 U -3.240e+03 0.00e+00 e 0 641 0 643 0 5416 19.482 6.438 0.725 1 U -1.450e+04 0.00e+00 e 0 652 665 651 0 5417 19.482 6.085 0.725 1 U -8.880e+03 0.00e+00 e 0 652 666 651 0 5419 62.440 1.332 3.818 1 U -4.560e+03 0.00e+00 e 0 641 594 642 0 5420 62.440 0.725 3.818 1 U -9.940e+02 0.00e+00 e 0 641 651 642 0 5424 19.482 1.331 0.725 1 U -2.530e+04 0.00e+00 e 0 652 594 651 0 5425 40.019 6.438 2.933 1 U 9.380e+03 0.00e+00 e 0 661 665 663 0 5426 40.019 6.438 2.399 1 U 3.020e+03 0.00e+00 e 0 661 665 662 0 5427 48.221 3.787 4.168 1 U 5.770e+03 0.00e+00 e 0 682 625 683 0 5429 40.019 0.826 2.399 1 U 1.860e+04 0.00e+00 e 0 661 742 662 0 5430 40.019 0.597 2.399 1 U 5.950e+03 0.00e+00 e 0 661 541 662 0 5431 40.019 0.824 2.933 1 U 2.594e+04 0.00e+00 e 0 661 742 663 0 5432 40.019 0.597 2.933 1 U 4.440e+03 0.00e+00 e 0 661 541 663 0 5433 48.221 0.597 4.168 1 U 5.244e+03 0.00e+00 e 0 682 541 683 0 5434 48.221 0.746 4.168 1 U 3.288e+03 0.00e+00 e 0 682 741 683 0 5435 48.221 2.300 4.168 1 U 3.210e+03 0.00e+00 e 0 682 0 683 0 5436 35.860 0.826 1.144 1 U 6.986e+03 0.00e+00 e 0 713 776 714 0 5437 35.860 0.826 1.929 1 U 3.600e+03 0.00e+00 e 0 713 776 715 0 5438 55.764 0.749 4.227 1 U -1.130e+03 0.00e+00 e 0 711 741 712 0 5439 55.764 0.826 4.227 1 U -2.417e+03 0.00e+00 e 0 711 776 712 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938 0 5607 25.165 2.737 -0.651 1 U 4.570e+03 0.00e+00 e 0 940 1006 938 0 5608 22.105 2.737 0.108 1 U 1.910e+03 0.00e+00 e 0 944 1006 939 0 5609 22.105 1.515 0.108 1 U 9.410e+03 0.00e+00 e 0 944 1070 939 0 5614 42.288 1.062 0.155 1 U 2.120e+03 0.00e+00 e 0 932 793 934 0 5620 40.786 6.587 2.745 1 U 1.090e+03 0.00e+00 e 0 954 1009 956 0 5622 29.881 4.000 2.766 1 U 9.460e+03 0.00e+00 e 0 965 964 966 0 5625 29.881 7.879 2.766 1 U 1.670e+04 0.00e+00 e 0 965 962 966 0 5626 29.881 1.462 3.456 1 U 4.650e+03 0.00e+00 e 0 965 0 967 0 5630 27.399 1.026 1.793 1 U 5.260e+03 0.00e+00 e 0 1230 0 1231 0 5633 27.300 1.582 1.900 1 U 6.240e+03 0.00e+00 e 0 993 0 995 0 5634 27.399 3.858 1.793 1 U 6.040e+03 0.00e+00 e 0 1230 0 1231 0 5635 42.056 3.542 2.554 1 U 4.740e+03 0.00e+00 e 0 1028 1057 1029 0 5636 42.056 3.552 2.937 1 U 7.750e+03 0.00e+00 e 0 1028 1058 1030 0 5639 16.183 4.535 1.400 1 U -5.520e+03 0.00e+00 e 0 1040 1027 1039 0 5640 16.183 3.899 1.400 1 U -5.780e+03 0.00e+00 e 0 1040 351 1039 0 5641 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5.460e+02 0.00e+00 e 0 1069 1029 1070 0 5700 28.363 2.559 1.513 1 U 2.600e+03 0.00e+00 e 0 1069 1007 1070 0 5701 43.225 2.565 3.054 1 U 2.517e+03 0.00e+00 e 0 1073 1007 1074 0 5702 43.225 2.731 3.054 1 U 3.139e+03 0.00e+00 e 0 1073 1006 1074 0 5705 28.363 8.998 1.588 1 U 1.590e+03 0.00e+00 e 0 1069 0 1071 0 5706 25.595 8.254 0.445 1 U 4.610e+03 0.00e+00 e 0 1103 367 1098 0 5707 25.595 8.038 0.445 1 U 1.341e+03 0.00e+00 e 0 1103 307 1098 0 5708 58.265 8.045 3.708 1 U -7.530e+03 0.00e+00 e 0 1089 1146 1090 0 5709 25.595 7.886 0.445 1 U 4.330e+03 0.00e+00 e 0 1103 317 1098 0 5710 25.595 7.773 0.445 1 U 2.520e+03 0.00e+00 e 0 1103 403 1098 0 5711 25.595 7.129 0.445 1 U 3.772e+03 0.00e+00 e 0 1103 1160 1098 0 5712 25.595 7.025 0.445 1 U 1.060e+04 0.00e+00 e 0 1103 1010 1098 0 5713 25.595 6.723 0.445 1 U 5.300e+02 0.00e+00 e 0 1103 1018 1098 0 5714 25.595 6.578 0.445 1 U 1.530e+04 0.00e+00 e 0 1103 1009 1098 0 5715 25.595 6.452 0.445 1 U 4.090e+03 0.00e+00 e 0 1103 1164 1098 0 5717 58.265 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0 6473 130.707 3.122 7.070 1 U -1.187e+03 0.00e+00 e 0 443 480 438 0 6475 130.707 0.376 7.070 1 U -3.413e+03 0.00e+00 e 0 443 74 438 0 6476 130.651 0.364 7.101 1 U -5.041e+03 0.00e+00 e 0 445 74 446 0 6477 131.747 1.104 6.863 1 U -3.176e+03 0.00e+00 e 0 441 0 437 0 6478 131.747 0.847 6.863 1 U -1.754e+03 0.00e+00 e 0 441 280 437 0 6479 131.747 0.564 6.863 1 U -3.278e+03 0.00e+00 e 0 441 75 437 0 6480 131.747 0.330 6.863 1 U -3.280e+03 0.00e+00 e 0 441 327 437 0 6481 131.747 -0.194 6.863 1 U -2.006e+03 0.00e+00 e 0 441 326 437 0 6485 130.767 4.274 7.042 1 U 0.000e+00 0.00e+00 - 0 466 0 461 0 6486 131.043 0.389 6.996 1 U 0.000e+00 0.00e+00 - 0 464 0 460 0 6487 33.924 6.290 1.087 1 U 1.379e+03 0.00e+00 e 0 489 95 490 0 6488 21.181 7.067 0.397 1 U 0.000e+00 0.00e+00 - 0 493 0 491 0 6489 64.407 7.022 3.119 1 U -1.505e+04 0.00e+00 e 0 479 512 480 0 6490 64.407 6.454 3.119 1 U 0.000e+00 0.00e+00 - 0 479 0 480 0 6491 64.407 7.022 3.506 1 U -1.406e+04 0.00e+00 e 0 479 512 481 0 6492 64.407 6.443 3.506 1 U 0.000e+00 0.00e+00 - 0 479 0 481 0 6493 64.407 6.910 3.119 1 U 0.000e+00 0.00e+00 - 0 479 0 480 0 6494 130.628 4.298 6.918 1 U 0.000e+00 0.00e+00 - 0 515 0 511 0 6495 64.407 2.179 3.119 1 U 0.000e+00 0.00e+00 - 0 479 0 480 0 6496 21.181 0.281 0.397 1 U -2.871e+04 0.00e+00 e 0 493 57 491 0 6497 21.188 0.281 0.682 1 U -1.279e+04 0.00e+00 e 0 497 57 492 0 6498 21.181 2.759 0.397 1 U -1.115e+03 0.00e+00 e 0 493 457 491 0 6499 38.267 1.217 1.799 1 U 1.145e+04 0.00e+00 e 0 530 605 531 0 6500 38.267 2.009 1.799 1 U 0.000e+00 0.00e+00 - 0 530 0 531 0 6501 18.482 2.349 0.823 1 U -5.848e+03 0.00e+00 e 0 533 92 532 0 6504 15.982 2.005 0.597 1 U -5.611e+03 0.00e+00 e 0 542 628 541 0 6505 15.982 2.348 0.597 1 U -1.500e+03 0.00e+00 e 0 542 92 541 0 6506 55.253 8.310 4.266 1 U 0.000e+00 0.00e+00 - 0 560 0 561 0 6507 42.823 1.656 2.945 1 U 3.319e+03 0.00e+00 e 0 573 609 575 0 6508 18.217 9.136 1.294 1 U -7.600e+02 0.00e+00 e 0 585 623 584 0 6509 18.217 7.857 1.294 1 U -1.353e+03 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0 6526 62.440 8.430 3.782 1 U -8.450e+02 0.00e+00 e 0 641 658 643 0 6528 62.440 1.334 3.782 1 U -1.301e+03 0.00e+00 e 0 641 594 643 0 6529 62.440 0.722 3.782 1 U -1.971e+03 0.00e+00 e 0 641 651 643 0 6530 61.342 1.315 3.995 1 U 0.000e+00 0.00e+00 - 0 639 0 640 0 6531 130.921 0.821 6.438 1 U -2.298e+04 0.00e+00 e 0 669 532 665 0 6532 24.038 6.432 0.826 1 U 5.839e+03 0.00e+00 e 0 747 665 742 0 6533 116.817 2.397 6.085 1 U -1.402e+03 0.00e+00 e 0 671 662 666 0 6534 18.319 4.673 0.748 1 U -6.811e+03 0.00e+00 e 0 743 112 741 0 6535 116.817 0.821 6.085 1 U -1.043e+04 0.00e+00 e 0 671 532 666 0 6536 116.817 0.830 6.085 1 U -2.589e+03 0.00e+00 e 0 671 611 666 0 6537 116.817 0.779 6.085 1 U -1.184e+04 0.00e+00 e 0 671 610 666 0 6538 130.921 0.830 6.438 1 U -1.614e+04 0.00e+00 e 0 669 611 665 0 6539 130.921 0.839 6.438 1 U -1.434e+04 0.00e+00 e 0 669 776 665 0 6540 130.921 0.779 6.438 1 U -1.151e+04 0.00e+00 e 0 669 610 665 0 6541 130.921 0.713 6.438 1 U -1.538e+04 0.00e+00 e 0 669 775 665 0 6542 116.817 0.707 6.085 1 U -2.383e+04 0.00e+00 e 0 671 775 666 0 6543 40.019 0.841 2.933 1 U 1.085e+04 0.00e+00 e 0 661 776 663 0 6544 40.019 0.809 2.933 1 U 1.144e+04 0.00e+00 e 0 661 532 663 0 6545 40.019 0.813 2.399 1 U 1.104e+04 0.00e+00 e 0 661 532 662 0 6546 54.882 7.024 4.384 1 U -3.138e+03 0.00e+00 e 0 689 736 690 0 6547 44.228 8.196 3.225 1 U 4.483e+03 0.00e+00 e 0 721 726 723 0 6548 44.228 6.269 2.952 1 U 6.747e+03 0.00e+00 e 0 721 0 722 0 6549 43.225 7.236 3.151 1 U 8.246e+03 0.00e+00 e 0 1073 1078 1075 0 6551 24.038 1.129 0.826 1 U 5.513e+03 0.00e+00 e 0 747 538 742 0 6552 18.319 2.943 0.748 1 U -8.037e+03 0.00e+00 e 0 743 766 741 0 6556 18.319 7.883 0.748 1 U 0.000e+00 0.00e+00 - 0 743 0 741 0 6557 25.525 5.898 1.122 1 U 3.111e+03 0.00e+00 e 0 761 976 762 0 6558 34.873 3.505 1.674 1 U 1.694e+03 0.00e+00 e 0 757 227 758 0 6559 37.059 9.317 1.529 1 U 1.345e+03 0.00e+00 e 0 773 87 774 0 6560 46.117 6.709 1.066 1 U 2.564e+03 0.00e+00 e 0 791 1018 793 0 6561 46.117 6.476 0.784 1 U 2.493e+03 0.00e+00 e 0 791 1164 792 0 6562 46.117 6.465 1.066 1 U 3.912e+03 0.00e+00 e 0 791 1164 793 0 6563 26.679 6.569 0.422 1 U 2.514e+03 0.00e+00 e 0 803 1009 798 0 6565 23.495 7.015 0.842 1 U 0.000e+00 0.00e+00 - 0 781 0 776 0 6566 25.926 8.972 0.325 1 U 0.000e+00 0.00e+00 - 0 799 0 797 0 6567 25.926 8.797 0.325 1 U 5.760e+02 0.00e+00 e 0 799 52 797 0 6568 26.679 8.797 0.422 1 U 4.870e+02 0.00e+00 e 0 803 52 798 0 6569 26.522 -0.167 1.189 1 U 4.215e+03 0.00e+00 e 0 210 207 211 0 6570 26.361 0.313 1.188 1 U 5.122e+03 0.00e+00 e 0 795 327 796 0 6572 28.277 7.271 1.972 1 U 1.403e+03 0.00e+00 e 0 817 826 819 0 6573 28.148 1.395 1.999 1 U 4.553e+03 0.00e+00 e 0 1053 1039 1055 0 6574 44.173 1.711 3.184 1 U 1.022e+04 0.00e+00 e 0 821 815 822 0 6575 44.173 1.967 3.184 1 U 1.161e+04 0.00e+00 e 0 821 818 822 0 6576 44.173 1.590 3.438 1 U 1.405e+04 0.00e+00 e 0 821 814 823 0 6577 44.173 3.438 3.432 1 U 6.264e+04 0.00e+00 e 0 821 823 823 0 6578 44.173 3.182 3.432 1 U 8.056e+04 0.00e+00 e 0 821 822 823 0 6580 44.173 6.284 3.184 1 U 1.775e+04 0.00e+00 e 0 821 95 822 0 6581 51.853 0.858 3.534 1 U -5.383e+03 0.00e+00 e 0 847 40 858 0 6582 51.853 0.854 3.592 1 U -5.767e+03 0.00e+00 e 0 847 40 859 0 6583 17.000 1.832 1.843 1 U -1.111e+07 0.00e+00 e 0 875 874 874 0 6584 17.000 1.029 1.843 1 U -1.764e+04 0.00e+00 e 0 875 1216 874 0 6585 17.000 2.366 1.843 1 U -1.494e+04 0.00e+00 e 0 875 871 874 0 6587 17.000 4.394 1.843 1 U -6.656e+03 0.00e+00 e 0 875 865 874 0 6589 17.000 7.562 1.843 1 U -2.863e+03 0.00e+00 e 0 875 863 874 0 6590 17.000 8.270 1.843 1 U -4.480e+02 0.00e+00 e 0 875 881 874 0 6592 30.840 6.670 1.791 1 U 1.276e+04 0.00e+00 e 0 891 1166 893 0 6593 44.826 3.352 4.126 1 U 9.606e+04 0.00e+00 e 0 882 884 883 0 6596 44.173 7.293 3.184 1 U 6.757e+03 0.00e+00 e 0 821 826 822 0 6599 33.457 1.743 1.743 1 U 1.256e+05 0.00e+00 e 0 131 133 133 0 6600 33.457 1.743 1.575 1 U 1.148e+05 0.00e+00 e 0 131 133 132 0 6601 33.457 1.575 1.575 1 U 1.171e+05 0.00e+00 e 0 131 132 132 0 6602 33.457 1.575 1.743 1 U 9.449e+04 0.00e+00 e 0 131 132 133 0 6603 33.457 1.452 1.743 1 U 2.863e+04 0.00e+00 e 0 131 137 133 0 6604 33.457 1.378 1.743 1 U 7.204e+03 0.00e+00 e 0 131 136 133 0 6605 33.457 1.452 1.575 1 U 2.168e+04 0.00e+00 e 0 131 137 132 0 6606 33.457 1.378 1.575 1 U 8.534e+03 0.00e+00 e 0 131 136 132 0 6607 54.500 5.086 5.092 1 U -2.421e+05 0.00e+00 e 0 129 130 130 0 6608 33.457 5.063 1.575 1 U 8.053e+03 0.00e+00 e 0 131 130 132 0 6609 33.457 5.063 1.743 1 U 1.138e+04 0.00e+00 e 0 131 130 133 0 6610 33.457 0.734 1.575 1 U 1.478e+03 0.00e+00 e 0 131 741 132 0 6611 33.457 0.747 1.743 1 U 3.999e+03 0.00e+00 e 0 131 741 133 0 6613 33.457 3.026 1.575 1 U 1.856e+03 0.00e+00 e 0 131 140 132 0 6614 33.457 3.110 1.575 1 U 4.955e+03 0.00e+00 e 0 131 141 132 0 6615 33.457 2.504 1.743 1 U 4.104e+03 0.00e+00 e 0 131 0 133 0 6616 33.457 3.019 1.743 1 U 3.386e+03 0.00e+00 e 0 131 140 133 0 6617 33.457 3.110 1.743 1 U 2.917e+03 0.00e+00 e 0 131 141 133 0 6618 27.409 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-1.092e+04 0.00e+00 e 0 1013 964 1009 0 6664 39.991 -0.657 2.720 1 U 4.875e+03 0.00e+00 e 0 1005 938 1006 0 6665 39.991 -0.660 2.559 1 U 7.426e+03 0.00e+00 e 0 1005 938 1007 0 6666 129.655 7.864 7.020 1 U 0.000e+00 0.00e+00 - 0 1015 0 1010 0 6667 28.148 1.396 1.735 1 U 3.212e+03 0.00e+00 e 0 1053 1039 1054 0 6668 30.566 1.391 2.125 1 U 7.780e+02 0.00e+00 e 0 1049 1039 1051 0 6669 30.566 1.374 1.696 1 U 2.301e+03 0.00e+00 e 0 1049 1139 1050 0 6670 58.927 1.374 4.004 1 U -4.556e+04 0.00e+00 e 0 1063 1139 1064 0 6671 43.225 7.027 3.054 1 U 9.694e+03 0.00e+00 e 0 1073 1025 1074 0 6672 43.225 6.573 3.054 1 U 2.102e+03 0.00e+00 e 0 1073 1009 1074 0 6673 30.397 4.294 1.911 1 U 2.573e+03 0.00e+00 e 0 1065 1004 1067 0 6674 30.397 4.291 1.693 1 U 2.849e+03 0.00e+00 e 0 1065 1004 1066 0 6675 43.225 2.721 3.151 1 U 2.241e+03 0.00e+00 e 0 1073 1006 1075 0 6676 43.225 2.562 3.151 1 U 3.303e+03 0.00e+00 e 0 1073 1007 1075 0 6677 25.595 8.810 0.445 1 U 2.730e+03 0.00e+00 e 0 1103 0 1098 0 6678 58.265 3.033 3.708 1 U -8.989e+03 0.00e+00 e 0 1089 1150 1090 0 6679 25.595 1.848 0.445 1 U 2.111e+03 0.00e+00 e 0 1103 1175 1098 0 6680 25.595 3.808 0.445 1 U 2.839e+03 0.00e+00 e 0 1103 1112 1098 0 6682 58.523 8.835 3.807 1 U 0.000e+00 0.00e+00 - 0 1111 0 1112 0 6683 17.952 8.827 1.367 1 U -1.213e+03 0.00e+00 e 0 1140 1170 1139 0 6684 118.928 0.676 7.129 1 U 0.000e+00 0.00e+00 - 0 1156 0 1160 0 6685 118.928 0.863 7.129 1 U 0.000e+00 0.00e+00 - 0 1156 0 1160 0 6686 122.628 0.780 6.517 1 U 0.000e+00 0.00e+00 - 0 1165 0 1167 0 6687 25.657 1.164 0.679 1 U 0.000e+00 0.00e+00 - 0 1185 0 1180 0 6688 23.352 1.167 0.775 1 U 0.000e+00 0.00e+00 - 0 1181 0 1179 0 6689 42.018 4.164 1.343 1 U 2.861e+03 0.00e+00 e 0 1091 1038 1092 0 6690 26.679 8.828 0.422 1 U 1.072e+03 0.00e+00 e 0 803 929 798 0 6691 25.926 8.828 0.325 1 U 1.031e+03 0.00e+00 e 0 799 929 797 0 6692 26.140 0.318 0.820 1 U 1.221e+04 0.00e+00 e 0 41 327 39 0 6693 23.693 0.318 0.875 1 U 3.760e+03 0.00e+00 e 0 45 327 40 0 # Number of dimensions 3 #INAME 1 N15 #INAME 2 H #INAME 3 H1 2 120.673 3.819 8.313 2 U 1.650e+03 0.00e+00 e 0 19 4 20 0 3 120.673 1.966 8.313 2 U 4.900e+03 0.00e+00 e 0 19 6 20 0 4 120.673 2.205 8.313 2 U 1.029e+03 0.00e+00 e 0 19 7 20 0 6 120.673 2.319 8.313 2 U 3.690e+02 0.00e+00 e 0 19 11 20 0 7 120.673 8.313 8.316 2 U 4.930e+04 0.00e+00 e 0 19 20 20 0 8 120.673 3.897 8.313 2 U 6.490e+03 0.00e+00 e 0 19 22 20 0 9 120.673 1.213 8.313 2 U 4.040e+03 0.00e+00 e 0 19 23 20 0 10 120.673 8.113 8.313 2 U 2.970e+03 0.00e+00 e 0 19 30 20 0 11 120.410 8.313 8.113 2 U 1.033e+03 0.00e+00 e 0 29 20 30 0 12 120.410 3.897 8.113 2 U 1.984e+04 0.00e+00 e 0 29 22 30 0 13 120.410 1.213 8.113 2 U 7.907e+03 0.00e+00 e 0 29 23 30 0 14 120.410 8.113 8.113 2 U 7.890e+04 0.00e+00 e 0 29 30 30 0 15 120.410 1.834 8.113 2 U 1.210e+04 0.00e+00 e 0 29 38 30 0 17 120.410 0.863 8.113 2 U 1.450e+04 0.00e+00 e 0 29 40 30 0 18 120.410 8.797 8.113 2 U 3.110e+02 0.00e+00 e 0 29 52 30 0 19 117.354 8.113 8.797 2 U 5.160e+02 0.00e+00 e 0 51 30 52 0 20 117.354 1.834 8.797 2 U 2.340e+03 0.00e+00 e 0 51 38 52 0 21 117.354 0.831 8.797 2 U 3.910e+03 0.00e+00 e 0 51 39 52 0 22 117.354 0.863 8.797 2 U 1.290e+04 0.00e+00 e 0 51 40 52 0 23 117.354 8.797 8.797 2 U 6.390e+04 0.00e+00 e 0 51 52 52 0 24 117.354 4.754 8.797 2 U 1.490e+04 0.00e+00 e 0 51 54 52 0 25 117.354 3.615 8.797 2 U 3.530e+04 0.00e+00 e 0 51 56 52 0 26 117.354 0.271 8.797 2 U 4.493e+03 0.00e+00 e 0 51 57 52 0 27 117.354 9.005 8.797 2 U 3.333e+03 0.00e+00 e 0 51 65 52 0 28 128.433 8.797 9.005 2 U 3.190e+03 0.00e+00 e 0 64 52 65 0 29 128.433 4.754 9.005 2 U 3.950e+04 0.00e+00 e 0 64 54 65 0 30 128.433 3.615 9.005 2 U 2.450e+02 0.00e+00 e 0 64 56 65 0 31 128.433 0.271 9.005 2 U 7.101e+03 0.00e+00 e 0 64 57 65 0 32 128.433 9.005 9.005 2 U 6.117e+04 0.00e+00 e 0 64 65 65 0 33 128.433 4.890 9.005 2 U 4.290e+04 0.00e+00 e 0 64 67 65 0 34 128.433 0.583 9.005 2 U 4.380e+03 0.00e+00 e 0 64 69 65 0 35 128.433 1.748 9.005 2 U 1.840e+04 0.00e+00 e 0 64 70 65 0 36 128.433 0.944 9.005 2 U 2.090e+03 0.00e+00 e 0 64 73 65 0 37 128.433 0.375 9.005 2 U 5.620e+03 0.00e+00 e 0 64 74 65 0 38 128.433 0.589 9.005 2 U 3.880e+03 0.00e+00 e 0 64 75 65 0 39 128.433 9.336 9.005 2 U 4.400e+02 0.00e+00 e 0 64 87 65 0 40 128.701 9.005 9.336 2 U -1.600e+02 0.00e+00 e 0 86 65 87 0 41 128.701 4.890 9.336 2 U 1.897e+04 0.00e+00 e 0 86 67 87 0 42 128.701 0.583 9.336 2 U 3.680e+03 0.00e+00 e 0 86 69 87 0 43 128.701 1.748 9.336 2 U 2.740e+02 0.00e+00 e 0 86 70 87 0 44 128.701 0.944 9.336 2 U 3.710e+03 0.00e+00 e 0 86 73 87 0 45 128.701 0.375 9.336 2 U 2.510e+03 0.00e+00 e 0 86 74 87 0 46 128.701 0.589 9.336 2 U 3.830e+03 0.00e+00 e 0 86 75 87 0 47 128.701 9.336 9.336 2 U 5.342e+04 0.00e+00 e 0 86 87 87 0 48 128.701 4.762 9.336 2 U 4.650e+03 0.00e+00 e 0 86 89 87 0 49 128.701 1.996 9.336 2 U 4.420e+03 0.00e+00 e 0 86 91 87 0 50 128.701 2.331 9.336 2 U 5.750e+03 0.00e+00 e 0 86 92 87 0 51 128.701 8.511 9.336 2 U 6.960e+02 0.00e+00 e 0 86 110 87 0 52 118.163 9.336 8.511 2 U 1.448e+03 0.00e+00 e 0 109 87 110 0 53 118.163 4.762 8.511 2 U 2.170e+05 0.00e+00 e 0 109 89 110 0 54 118.163 1.996 8.511 2 U 8.450e+03 0.00e+00 e 0 109 91 110 0 55 118.163 2.331 8.511 2 U 3.870e+03 0.00e+00 e 0 109 92 110 0 56 118.163 8.511 8.511 2 U 6.508e+04 0.00e+00 e 0 109 110 110 0 57 118.163 1.707 8.510 2 U 6.180e+03 0.00e+00 e 0 109 118 110 0 58 118.163 1.715 8.509 2 U 5.239e+03 0.00e+00 e 0 109 119 110 0 59 119.958 4.288 8.311 2 U 8.919e+03 0.00e+00 e 0 164 156 165 0 60 119.958 2.362 8.311 2 U 1.170e+03 0.00e+00 e 0 164 158 165 0 61 119.958 2.307 8.311 2 U 8.720e+03 0.00e+00 e 0 164 159 165 0 62 119.958 8.311 8.311 2 U 6.390e+04 0.00e+00 e 0 164 165 165 0 63 119.958 4.196 8.311 2 U 1.620e+04 0.00e+00 e 0 164 167 165 0 64 119.958 2.286 8.311 2 U 5.220e+03 0.00e+00 e 0 164 169 165 0 65 119.958 2.249 8.311 2 U 1.000e+04 0.00e+00 e 0 164 170 165 0 66 119.958 8.014 8.311 2 U 3.832e+03 0.00e+00 e 0 164 176 165 0 67 122.015 8.311 8.014 2 U 3.158e+03 0.00e+00 e 0 175 165 176 0 68 122.015 4.196 8.014 2 U 2.984e+04 0.00e+00 e 0 175 167 176 0 69 122.015 2.286 8.014 2 U 1.156e+03 0.00e+00 e 0 175 169 176 0 70 122.015 2.249 8.014 2 U 2.379e+03 0.00e+00 e 0 175 170 176 0 71 122.015 8.014 8.014 2 U 8.240e+04 0.00e+00 e 0 175 176 176 0 72 124.281 8.670 8.670 2 U 5.300e+04 0.00e+00 e 0 202 203 203 0 73 124.281 1.189 8.670 2 U 6.400e+02 0.00e+00 e 0 202 211 203 0 74 124.281 0.509 8.670 2 U 9.100e+02 0.00e+00 e 0 202 212 203 0 75 124.281 0.515 8.670 2 U 1.410e+03 0.00e+00 e 0 202 213 203 0 76 124.281 8.565 8.670 2 U 1.962e+03 0.00e+00 e 0 202 225 203 0 77 122.679 8.670 8.565 2 U 3.870e+03 0.00e+00 e 0 224 203 225 0 78 122.679 1.189 8.565 2 U 1.349e+03 0.00e+00 e 0 224 211 225 0 79 122.679 0.509 8.565 2 U 4.690e+02 0.00e+00 e 0 224 212 225 0 80 122.679 0.515 8.565 2 U 3.820e+02 0.00e+00 e 0 224 213 225 0 81 122.679 8.565 8.565 2 U 7.270e+04 0.00e+00 e 0 224 225 225 0 82 122.679 7.577 8.565 2 U 3.310e+03 0.00e+00 e 0 224 235 225 0 83 118.581 8.565 7.577 2 U 7.350e+03 0.00e+00 e 0 234 225 235 0 84 118.581 7.577 7.577 2 U 6.259e+04 0.00e+00 e 0 234 235 235 0 85 118.581 4.156 7.577 2 U 1.250e+04 0.00e+00 e 0 234 237 235 0 86 118.581 2.546 7.577 2 U 7.480e+03 0.00e+00 e 0 234 239 235 0 87 118.581 2.616 7.577 2 U 1.030e+04 0.00e+00 e 0 234 240 235 0 88 118.581 7.393 7.577 2 U 1.290e+04 0.00e+00 e 0 234 246 235 0 89 120.022 7.577 7.393 2 U 2.120e+04 0.00e+00 e 0 245 235 246 0 90 120.022 4.156 7.393 2 U 3.070e+03 0.00e+00 e 0 245 237 246 0 91 120.022 2.546 7.393 2 U 1.070e+04 0.00e+00 e 0 245 239 246 0 92 120.022 2.616 7.393 2 U 1.060e+04 0.00e+00 e 0 245 240 246 0 93 120.022 7.393 7.393 2 U 4.589e+04 0.00e+00 e 0 245 246 246 0 94 120.022 3.917 7.393 2 U 1.210e+04 0.00e+00 e 0 245 248 246 0 96 120.022 2.085 7.393 2 U 2.459e+03 0.00e+00 e 0 245 251 246 0 97 120.022 2.205 7.393 2 U 8.300e+03 0.00e+00 e 0 245 254 246 0 98 120.022 2.342 7.393 2 U 1.350e+04 0.00e+00 e 0 245 255 246 0 99 120.022 7.836 7.393 2 U 2.910e+04 0.00e+00 e 0 245 264 246 0 100 124.960 7.393 7.836 2 U 1.840e+04 0.00e+00 e 0 263 246 264 0 101 124.960 3.917 7.836 2 U 5.960e+03 0.00e+00 e 0 263 248 264 0 102 124.960 1.996 7.836 2 U 1.010e+04 0.00e+00 e 0 263 250 264 0 103 124.960 2.085 7.836 2 U 4.220e+03 0.00e+00 e 0 263 251 264 0 104 124.960 2.205 7.836 2 U 1.431e+03 0.00e+00 e 0 263 254 264 0 105 124.960 2.342 7.836 2 U 1.150e+03 0.00e+00 e 0 263 255 264 0 106 124.960 7.836 7.836 2 U 5.772e+04 0.00e+00 e 0 263 264 264 0 107 124.960 3.924 7.836 2 U 3.817e+03 0.00e+00 e 0 263 266 264 0 108 124.960 1.180 7.836 2 U 4.840e+04 0.00e+00 e 0 263 267 264 0 109 124.960 7.704 7.836 2 U 1.990e+04 0.00e+00 e 0 263 274 264 0 110 118.157 7.836 7.704 2 U 1.990e+04 0.00e+00 e 0 273 264 274 0 111 118.157 3.924 7.704 2 U 6.010e+03 0.00e+00 e 0 273 266 274 0 112 118.157 1.180 7.704 2 U 2.440e+04 0.00e+00 e 0 273 267 274 0 113 118.157 7.704 7.704 2 U 5.309e+04 0.00e+00 e 0 273 274 274 0 114 118.157 3.203 7.704 2 U 2.960e+04 0.00e+00 e 0 273 276 274 0 115 118.157 2.076 7.704 2 U 2.970e+04 0.00e+00 e 0 273 278 274 0 116 118.157 0.897 7.704 2 U 5.300e+03 0.00e+00 e 0 273 279 274 0 117 118.157 0.866 7.704 2 U 8.580e+04 0.00e+00 e 0 273 280 274 0 118 118.157 7.443 7.704 2 U 4.880e+04 0.00e+00 e 0 273 292 274 0 119 120.074 7.704 7.443 2 U 6.000e+04 0.00e+00 e 0 291 274 292 0 120 120.074 3.203 7.443 2 U 3.420e+03 0.00e+00 e 0 291 276 292 0 121 120.074 2.076 7.443 2 U 1.340e+04 0.00e+00 e 0 291 278 292 0 122 120.074 0.897 7.443 2 U 6.000e+03 0.00e+00 e 0 291 279 292 0 123 120.074 0.866 7.443 2 U 4.850e+03 0.00e+00 e 0 291 280 292 0 124 120.074 7.443 7.443 2 U 6.517e+04 0.00e+00 e 0 291 292 292 0 125 120.074 4.080 7.443 2 U 4.460e+04 0.00e+00 e 0 291 294 292 0 126 120.074 1.986 7.443 2 U 1.329e+04 0.00e+00 e 0 291 296 292 0 127 120.074 1.950 7.443 2 U 9.962e+03 0.00e+00 e 0 291 297 292 0 128 120.074 2.247 7.443 2 U 3.970e+03 0.00e+00 e 0 291 300 292 0 129 120.074 2.156 7.443 2 U 3.136e+03 0.00e+00 e 0 291 301 292 0 130 120.074 8.064 7.443 2 U 7.726e+03 0.00e+00 e 0 291 307 292 0 131 122.915 7.443 8.064 2 U 3.540e+04 0.00e+00 e 0 306 292 307 0 132 122.915 4.080 8.064 2 U 8.362e+03 0.00e+00 e 0 306 294 307 0 133 122.915 1.986 8.064 2 U 9.250e+03 0.00e+00 e 0 306 296 307 0 134 122.915 1.950 8.064 2 U 7.629e+03 0.00e+00 e 0 306 297 307 0 135 122.915 2.247 8.064 2 U 8.400e+02 0.00e+00 e 0 306 300 307 0 136 122.915 2.156 8.064 2 U 1.730e+03 0.00e+00 e 0 306 301 307 0 137 122.915 8.064 8.064 2 U 8.163e+04 0.00e+00 e 0 306 307 307 0 138 122.915 4.097 8.064 2 U 1.990e+04 0.00e+00 e 0 306 309 307 0 139 122.915 1.432 8.064 2 U 1.654e+04 0.00e+00 e 0 306 310 307 0 140 122.915 7.887 8.064 2 U 3.030e+04 0.00e+00 e 0 306 317 307 0 141 118.800 8.064 7.887 2 U 4.240e+04 0.00e+00 e 0 316 307 317 0 142 118.800 4.097 7.887 2 U 1.160e+04 0.00e+00 e 0 316 309 317 0 143 118.800 1.432 7.887 2 U 4.290e+04 0.00e+00 e 0 316 310 317 0 144 118.800 7.887 7.887 2 U 9.230e+04 0.00e+00 e 0 316 317 317 0 145 118.800 3.512 7.887 2 U 2.190e+04 0.00e+00 e 0 316 319 317 0 146 118.800 1.145 7.887 2 U 1.375e+04 0.00e+00 e 0 316 321 317 0 147 118.800 1.635 7.887 2 U 1.739e+04 0.00e+00 e 0 316 322 317 0 148 118.800 1.245 7.887 2 U 1.234e+04 0.00e+00 e 0 316 325 317 0 149 118.800 -0.195 7.887 2 U 1.050e+04 0.00e+00 e 0 316 326 317 0 150 118.800 0.326 7.887 2 U 3.639e+03 0.00e+00 e 0 316 327 317 0 151 118.800 7.394 7.887 2 U 4.640e+04 0.00e+00 e 0 316 339 317 0 152 120.858 7.887 7.394 2 U 1.480e+04 0.00e+00 e 0 338 317 339 0 153 120.858 3.512 7.394 2 U 5.310e+03 0.00e+00 e 0 338 319 339 0 154 120.858 1.145 7.394 2 U 1.530e+04 0.00e+00 e 0 338 321 339 0 155 120.858 1.635 7.394 2 U 1.760e+04 0.00e+00 e 0 338 322 339 0 156 120.858 1.245 7.394 2 U 7.000e+02 0.00e+00 e 0 338 325 339 0 157 120.858 -0.195 7.394 2 U 2.480e+03 0.00e+00 e 0 338 326 339 0 158 120.858 0.326 7.394 2 U 3.920e+03 0.00e+00 e 0 338 327 339 0 159 120.858 7.394 7.394 2 U 6.799e+04 0.00e+00 e 0 338 339 339 0 160 120.858 4.090 7.394 2 U 2.850e+04 0.00e+00 e 0 338 341 339 0 161 120.858 1.476 7.394 2 U 5.340e+04 0.00e+00 e 0 338 342 339 0 162 120.858 8.533 7.394 2 U 3.110e+04 0.00e+00 e 0 338 349 339 0 163 120.215 7.394 8.533 2 U 9.316e+03 0.00e+00 e 0 348 339 349 0 164 120.215 4.090 8.533 2 U 1.480e+04 0.00e+00 e 0 348 309 349 0 165 120.215 1.476 8.533 2 U 1.420e+04 0.00e+00 e 0 348 342 349 0 166 120.215 8.533 8.533 2 U 7.580e+04 0.00e+00 e 0 348 349 349 0 167 120.215 3.890 8.533 2 U 7.853e+04 0.00e+00 e 0 348 351 349 0 168 120.215 1.951 8.533 2 U 1.740e+04 0.00e+00 e 0 348 353 349 0 169 120.215 2.081 8.533 2 U 3.670e+04 0.00e+00 e 0 348 354 349 0 170 120.215 2.319 8.533 2 U 1.490e+04 0.00e+00 e 0 348 357 349 0 171 120.215 2.473 8.533 2 U 2.040e+04 0.00e+00 e 0 348 358 349 0 172 120.215 8.256 8.533 2 U 4.550e+04 0.00e+00 e 0 348 367 349 0 173 119.061 8.533 8.256 2 U 5.780e+04 0.00e+00 e 0 366 349 367 0 174 119.061 3.890 8.256 2 U 9.190e+03 0.00e+00 e 0 366 351 367 0 175 119.061 1.951 8.256 2 U 1.060e+04 0.00e+00 e 0 366 353 367 0 176 119.061 2.081 8.256 2 U 3.520e+04 0.00e+00 e 0 366 354 367 0 177 119.061 2.319 8.256 2 U 3.280e+03 0.00e+00 e 0 366 357 367 0 178 119.061 2.473 8.256 2 U 3.270e+03 0.00e+00 e 0 366 358 367 0 179 119.061 8.256 8.256 2 U 9.453e+04 0.00e+00 e 0 366 367 367 0 180 119.061 4.127 8.256 2 U 3.350e+04 0.00e+00 e 0 366 369 367 0 181 119.061 1.316 8.256 2 U 5.935e+04 0.00e+00 e 0 366 370 367 0 182 119.061 7.777 8.256 2 U 6.190e+04 0.00e+00 e 0 366 377 367 0 183 114.888 8.256 7.777 2 U 9.028e+04 0.00e+00 e 0 376 367 377 0 184 114.888 4.127 7.777 2 U 1.250e+04 0.00e+00 e 0 376 369 377 0 185 114.888 1.316 7.777 2 U 1.250e+04 0.00e+00 e 0 376 370 377 0 186 114.888 7.777 7.777 2 U 7.600e+04 0.00e+00 e 0 376 377 377 0 187 114.888 3.883 7.777 2 U 2.986e+04 0.00e+00 e 0 376 379 377 0 188 114.888 1.713 7.777 2 U 1.180e+04 0.00e+00 e 0 376 381 377 0 189 114.888 1.904 7.777 2 U 3.100e+03 0.00e+00 e 0 376 382 377 0 190 114.888 1.434 7.777 2 U 1.250e+04 0.00e+00 e 0 376 385 377 0 191 114.888 1.445 7.777 2 U 5.500e+03 0.00e+00 e 0 376 386 377 0 192 114.888 3.073 7.777 2 U 2.580e+03 0.00e+00 e 0 376 389 377 0 193 114.888 3.066 7.777 2 U 1.770e+03 0.00e+00 e 0 376 390 377 0 194 114.888 7.764 7.777 2 U 2.430e+04 0.00e+00 e 0 376 403 377 0 195 117.900 7.777 7.764 2 U 2.100e+04 0.00e+00 e 0 402 377 403 0 196 117.900 3.883 7.764 2 U 5.520e+04 0.00e+00 e 0 402 379 403 0 197 117.900 1.713 7.764 2 U 2.571e+03 0.00e+00 e 0 402 381 403 0 198 117.900 1.904 7.764 2 U 1.627e+03 0.00e+00 e 0 402 382 403 0 199 117.900 1.434 7.764 2 U 6.700e+02 0.00e+00 e 0 402 385 403 0 200 117.900 1.445 7.764 2 U 3.200e+02 0.00e+00 e 0 402 386 403 0 203 117.900 7.764 7.764 2 U 8.900e+04 0.00e+00 e 0 402 403 403 0 204 117.900 3.759 7.764 2 U 4.330e+04 0.00e+00 e 0 402 405 403 0 205 117.900 1.155 7.764 2 U 7.910e+04 0.00e+00 e 0 402 406 403 0 206 117.900 8.223 7.764 2 U 9.600e+03 0.00e+00 e 0 402 413 403 0 207 105.763 7.764 8.223 2 U 3.770e+03 0.00e+00 e 0 412 403 413 0 208 105.763 3.759 8.223 2 U 1.281e+04 0.00e+00 e 0 412 405 413 0 209 105.763 1.155 8.223 2 U 1.360e+04 0.00e+00 e 0 412 406 413 0 210 105.763 8.223 8.223 2 U 9.640e+04 0.00e+00 e 0 412 413 413 0 211 105.763 4.032 8.223 2 U 6.040e+04 0.00e+00 e 0 412 415 413 0 213 105.763 8.048 8.223 2 U 2.590e+03 0.00e+00 e 0 412 420 413 0 214 121.739 8.223 8.048 2 U 2.980e+03 0.00e+00 e 0 419 413 420 0 215 121.739 4.032 8.048 2 U 2.940e+04 0.00e+00 e 0 419 415 420 0 217 121.739 8.048 8.048 2 U 2.016e+05 0.00e+00 e 0 419 420 420 0 218 121.739 4.002 8.048 2 U 3.690e+04 0.00e+00 e 0 419 422 420 0 219 121.739 1.083 8.048 2 U 4.666e+04 0.00e+00 e 0 419 423 420 0 220 121.739 7.786 8.048 2 U 1.700e+03 0.00e+00 e 0 419 430 420 0 221 117.000 8.048 7.803 2 U 3.400e+03 0.00e+00 e 0 429 420 430 0 222 117.000 4.002 7.803 2 U 3.868e+04 0.00e+00 e 0 429 422 430 0 223 117.000 1.083 7.803 2 U 5.530e+04 0.00e+00 e 0 429 423 430 0 224 117.000 7.803 7.803 2 U 1.833e+05 0.00e+00 e 0 429 430 430 0 225 117.000 5.088 7.803 2 U 2.060e+04 0.00e+00 e 0 429 432 430 0 226 117.000 2.419 7.803 2 U 8.940e+03 0.00e+00 e 0 429 434 430 0 227 117.000 2.629 7.803 2 U 1.010e+04 0.00e+00 e 0 429 435 430 0 228 117.000 8.838 7.803 2 U 2.380e+03 0.00e+00 e 0 429 453 430 0 229 120.728 7.803 8.838 2 U 1.080e+03 0.00e+00 e 0 452 430 453 0 230 120.728 5.088 8.838 2 U 2.500e+04 0.00e+00 e 0 452 432 453 0 231 120.728 2.419 8.838 2 U 5.383e+03 0.00e+00 e 0 452 434 453 0 232 120.728 2.629 8.838 2 U 3.607e+03 0.00e+00 e 0 452 435 453 0 233 120.728 8.838 8.838 2 U 3.250e+05 0.00e+00 e 0 452 453 453 0 234 120.728 4.560 8.838 2 U 1.200e+04 0.00e+00 e 0 452 455 453 0 235 120.728 2.723 8.838 2 U 4.730e+04 0.00e+00 e 0 452 457 453 0 236 120.728 2.887 8.838 2 U 1.380e+04 0.00e+00 e 0 452 458 453 0 237 120.728 8.651 8.838 2 U 1.640e+03 0.00e+00 e 0 452 476 453 0 238 119.931 8.838 8.651 2 U 1.420e+03 0.00e+00 e 0 475 453 476 0 239 119.931 4.560 8.651 2 U 1.190e+05 0.00e+00 e 0 475 455 476 0 240 119.931 2.723 8.651 2 U 5.450e+03 0.00e+00 e 0 475 457 476 0 241 119.931 2.887 8.651 2 U 1.860e+04 0.00e+00 e 0 475 458 476 0 242 119.931 8.651 8.651 2 U 3.870e+05 0.00e+00 e 0 475 476 476 0 243 119.931 4.907 8.651 2 U 5.240e+03 0.00e+00 e 0 475 478 476 0 244 119.931 3.119 8.651 2 U 1.648e+04 0.00e+00 e 0 475 480 476 0 245 119.931 3.502 8.651 2 U 3.814e+04 0.00e+00 e 0 475 481 476 0 246 119.931 8.227 8.651 2 U 1.020e+03 0.00e+00 e 0 475 486 476 0 247 126.827 8.651 8.227 2 U 5.370e+02 0.00e+00 e 0 485 476 486 0 249 126.827 3.119 8.227 2 U 1.110e+04 0.00e+00 e 0 485 480 486 0 250 126.827 3.502 8.227 2 U 4.300e+03 0.00e+00 e 0 485 481 486 0 251 126.827 8.227 8.227 2 U 9.000e+04 0.00e+00 e 0 485 486 486 0 252 126.827 3.843 8.227 2 U 1.590e+04 0.00e+00 e 0 485 488 486 0 253 126.827 1.080 8.227 2 U 2.770e+04 0.00e+00 e 0 485 490 486 0 254 126.827 0.402 8.227 2 U 2.220e+04 0.00e+00 e 0 485 491 486 0 255 126.827 0.684 8.227 2 U 5.570e+03 0.00e+00 e 0 485 492 486 0 256 126.827 8.767 8.227 2 U 1.670e+03 0.00e+00 e 0 485 504 486 0 258 126.304 3.843 8.767 2 U 5.570e+04 0.00e+00 e 0 503 488 504 0 259 126.304 1.080 8.767 2 U 3.770e+03 0.00e+00 e 0 503 490 504 0 260 126.304 0.402 8.767 2 U 5.800e+03 0.00e+00 e 0 503 491 504 0 261 126.304 0.684 8.767 2 U 3.170e+04 0.00e+00 e 0 503 492 504 0 262 126.304 8.767 8.767 2 U 4.358e+04 0.00e+00 e 0 503 504 504 0 263 126.304 4.776 8.767 2 U 1.390e+04 0.00e+00 e 0 503 506 504 0 264 126.304 2.764 8.767 2 U 1.134e+04 0.00e+00 e 0 503 508 504 0 265 126.304 2.988 8.767 2 U 7.121e+03 0.00e+00 e 0 503 509 504 0 266 126.304 8.567 8.767 2 U -3.000e+02 0.00e+00 e 0 503 527 504 0 267 115.650 8.767 8.567 2 U 1.183e+03 0.00e+00 e 0 526 504 527 0 268 115.650 4.776 8.567 2 U 3.580e+04 0.00e+00 e 0 526 506 527 0 269 115.650 2.764 8.567 2 U 5.060e+03 0.00e+00 e 0 526 508 527 0 270 115.650 2.988 8.567 2 U 1.210e+04 0.00e+00 e 0 526 509 527 0 271 115.650 8.567 8.567 2 U 3.572e+04 0.00e+00 e 0 526 527 527 0 272 115.650 4.058 8.567 2 U 5.440e+03 0.00e+00 e 0 526 529 527 0 273 115.650 1.787 8.567 2 U 3.830e+03 0.00e+00 e 0 526 531 527 0 274 115.650 0.822 8.567 2 U 2.963e+04 0.00e+00 e 0 526 532 527 0 275 115.650 1.146 8.567 2 U 2.030e+04 0.00e+00 e 0 526 538 527 0 276 115.650 0.981 8.567 2 U 1.710e+04 0.00e+00 e 0 526 539 527 0 277 115.650 0.600 8.567 2 U 3.345e+03 0.00e+00 e 0 526 541 527 0 278 115.650 8.092 8.567 2 U 4.620e+03 0.00e+00 e 0 526 548 527 0 279 115.714 8.567 8.092 2 U 2.660e+04 0.00e+00 e 0 547 527 548 0 280 115.714 4.058 8.092 2 U 1.790e+04 0.00e+00 e 0 547 529 548 0 281 115.714 1.787 8.092 2 U 3.000e+03 0.00e+00 e 0 547 531 548 0 282 115.714 0.822 8.092 2 U 4.100e+03 0.00e+00 e 0 547 532 548 0 283 115.714 1.146 8.092 2 U 7.740e+03 0.00e+00 e 0 547 538 548 0 284 115.714 0.981 8.092 2 U 4.030e+03 0.00e+00 e 0 547 539 548 0 285 115.714 0.600 8.092 2 U 2.470e+03 0.00e+00 e 0 547 541 548 0 286 115.714 8.092 8.092 2 U 9.665e+04 0.00e+00 e 0 547 548 548 0 287 115.714 9.007 8.092 2 U 1.284e+03 0.00e+00 e 0 547 559 548 0 288 116.609 8.092 9.007 2 U -7.400e+01 0.00e+00 e 0 558 548 559 0 289 116.609 9.007 9.007 2 U 1.920e+04 0.00e+00 e 0 558 559 559 0 290 116.609 4.285 9.007 2 U 1.200e+04 0.00e+00 e 0 558 561 559 0 291 116.609 2.764 9.007 2 U 1.360e+03 0.00e+00 e 0 558 563 559 0 292 116.609 2.609 9.007 2 U 3.750e+02 0.00e+00 e 0 558 564 559 0 293 116.609 7.708 9.007 2 U 1.470e+03 0.00e+00 e 0 558 570 559 0 294 120.986 9.007 7.708 2 U 1.640e+04 0.00e+00 e 0 569 559 570 0 295 120.986 4.285 7.708 2 U 1.130e+04 0.00e+00 e 0 569 561 570 0 296 120.986 2.764 7.708 2 U 2.680e+03 0.00e+00 e 0 569 563 570 0 297 120.986 2.609 7.708 2 U 1.820e+03 0.00e+00 e 0 569 564 570 0 298 120.986 7.708 7.708 2 U 5.617e+04 0.00e+00 e 0 569 570 570 0 299 120.986 4.703 7.708 2 U 1.200e+04 0.00e+00 e 0 569 572 570 0 300 120.986 2.208 7.708 2 U 2.192e+04 0.00e+00 e 0 569 574 570 0 301 120.986 2.959 7.708 2 U 1.509e+04 0.00e+00 e 0 569 575 570 0 302 120.986 8.772 7.708 2 U 1.697e+03 0.00e+00 e 0 569 581 570 0 303 128.315 7.708 8.772 2 U 2.879e+03 0.00e+00 e 0 580 570 581 0 304 128.315 4.703 8.772 2 U 1.684e+04 0.00e+00 e 0 580 572 581 0 305 128.315 2.208 8.772 2 U 5.161e+03 0.00e+00 e 0 580 574 581 0 306 128.315 2.959 8.772 2 U 2.931e+03 0.00e+00 e 0 580 575 581 0 307 128.315 8.772 8.772 2 U 9.820e+04 0.00e+00 e 0 580 581 581 0 308 128.315 3.969 8.772 2 U 3.970e+04 0.00e+00 e 0 580 583 581 0 309 128.315 1.294 8.772 2 U 6.600e+04 0.00e+00 e 0 580 584 581 0 310 128.315 8.112 8.772 2 U 1.272e+04 0.00e+00 e 0 580 591 581 0 311 120.733 8.772 8.112 2 U 4.650e+04 0.00e+00 e 0 590 581 591 0 312 120.733 3.969 8.112 2 U 5.270e+03 0.00e+00 e 0 590 583 591 0 313 120.733 1.294 8.112 2 U 2.963e+04 0.00e+00 e 0 590 584 591 0 315 120.733 4.063 8.112 2 U 4.367e+04 0.00e+00 e 0 590 593 591 0 316 120.733 1.329 8.112 2 U 9.576e+04 0.00e+00 e 0 590 594 591 0 317 120.733 8.317 8.112 2 U 1.868e+04 0.00e+00 e 0 590 601 591 0 319 120.708 4.063 8.317 2 U 5.240e+03 0.00e+00 e 0 600 593 601 0 320 120.708 1.329 8.317 2 U 2.540e+04 0.00e+00 e 0 600 594 601 0 321 120.708 8.317 8.317 2 U 6.500e+04 0.00e+00 e 0 600 601 601 0 322 120.708 4.104 8.317 2 U 1.360e+04 0.00e+00 e 0 600 603 601 0 324 120.708 2.036 8.317 2 U 2.896e+03 0.00e+00 e 0 600 606 601 0 325 120.708 1.646 8.317 2 U 3.500e+04 0.00e+00 e 0 600 609 601 0 326 120.708 0.777 8.317 2 U 3.450e+03 0.00e+00 e 0 600 610 601 0 327 120.708 0.834 8.317 2 U 3.560e+03 0.00e+00 e 0 600 611 601 0 328 120.708 9.140 8.317 2 U 1.160e+04 0.00e+00 e 0 600 623 601 0 329 121.243 8.317 9.140 2 U 1.670e+04 0.00e+00 e 0 622 601 623 0 330 121.243 4.104 9.140 2 U 6.840e+03 0.00e+00 e 0 622 603 623 0 331 121.243 1.222 9.140 2 U 1.700e+03 0.00e+00 e 0 622 605 623 0 332 121.243 2.036 9.140 2 U 1.460e+04 0.00e+00 e 0 622 606 623 0 333 121.243 1.646 9.140 2 U 4.400e+03 0.00e+00 e 0 622 609 623 0 334 121.243 0.777 9.140 2 U 1.880e+03 0.00e+00 e 0 622 610 623 0 335 121.243 0.834 9.140 2 U 1.410e+03 0.00e+00 e 0 622 611 623 0 336 121.243 9.140 9.140 2 U 8.414e+04 0.00e+00 e 0 622 623 623 0 337 121.243 3.784 9.140 2 U 1.590e+04 0.00e+00 e 0 622 625 623 0 338 121.243 1.853 9.140 2 U 2.230e+04 0.00e+00 e 0 622 627 623 0 339 121.243 2.017 9.140 2 U 1.110e+04 0.00e+00 e 0 622 628 623 0 340 121.243 2.182 9.140 2 U 5.700e+03 0.00e+00 e 0 622 631 623 0 341 121.243 2.188 9.140 2 U 5.500e+03 0.00e+00 e 0 622 632 623 0 342 121.243 7.870 9.140 2 U 3.690e+04 0.00e+00 e 0 622 638 623 0 343 114.171 9.140 7.870 2 U 5.060e+04 0.00e+00 e 0 637 623 638 0 344 114.171 3.784 7.870 2 U 5.000e+03 0.00e+00 e 0 637 625 638 0 345 114.171 1.853 7.870 2 U 2.513e+04 0.00e+00 e 0 637 627 638 0 346 114.171 2.017 7.870 2 U 1.656e+04 0.00e+00 e 0 637 628 638 0 347 114.171 2.182 7.870 2 U 2.996e+03 0.00e+00 e 0 637 631 638 0 348 114.171 2.188 7.870 2 U 2.996e+03 0.00e+00 e 0 637 632 638 0 349 114.171 7.870 7.870 2 U 6.540e+04 0.00e+00 e 0 637 638 638 0 350 114.171 3.992 7.870 2 U 4.960e+04 0.00e+00 e 0 637 640 638 0 351 114.171 3.802 7.870 2 U 3.230e+04 0.00e+00 e 0 637 642 638 0 352 114.171 3.778 7.870 2 U 3.960e+04 0.00e+00 e 0 637 643 638 0 353 114.171 7.317 7.870 2 U 3.071e+04 0.00e+00 e 0 637 648 638 0 354 120.135 7.870 7.317 2 U 2.460e+04 0.00e+00 e 0 647 638 648 0 355 120.135 3.992 7.317 2 U 4.459e+03 0.00e+00 e 0 647 640 648 0 356 120.135 3.802 7.317 2 U 1.170e+04 0.00e+00 e 0 647 642 648 0 357 120.135 3.778 7.317 2 U 8.600e+03 0.00e+00 e 0 647 643 648 0 358 120.135 7.317 7.317 2 U 5.650e+05 0.00e+00 e 0 647 648 648 0 359 120.135 3.844 7.317 2 U 5.730e+04 0.00e+00 e 0 647 650 648 0 360 120.135 0.719 7.317 2 U 2.160e+05 0.00e+00 e 0 647 651 648 0 361 120.135 8.440 7.317 2 U 4.280e+04 0.00e+00 e 0 647 658 648 0 362 111.528 7.317 8.440 2 U 2.970e+04 0.00e+00 e 0 657 648 658 0 363 111.528 3.844 8.440 2 U 8.200e+03 0.00e+00 e 0 657 650 658 0 364 111.528 0.719 8.440 2 U 7.226e+03 0.00e+00 e 0 657 651 658 0 365 111.528 8.440 8.440 2 U 6.800e+04 0.00e+00 e 0 657 658 658 0 366 111.528 4.354 8.440 2 U 7.290e+03 0.00e+00 e 0 657 660 658 0 369 111.528 8.444 8.440 2 U 6.200e+04 0.00e+00 e 0 657 681 658 0 372 111.484 2.392 8.444 2 U 1.280e+04 0.00e+00 e 0 680 662 681 0 373 111.484 2.933 8.444 2 U 6.900e+03 0.00e+00 e 0 680 663 681 0 376 111.484 3.471 8.444 2 U 9.146e+03 0.00e+00 e 0 680 684 681 0 377 111.484 8.297 8.444 2 U 1.400e+03 0.00e+00 e 0 680 688 681 0 378 117.074 8.444 8.297 2 U 1.700e+03 0.00e+00 e 0 687 681 688 0 379 117.074 4.169 8.297 2 U 6.400e+03 0.00e+00 e 0 687 683 688 0 380 117.074 3.471 8.297 2 U 1.190e+04 0.00e+00 e 0 687 684 688 0 381 117.074 8.297 8.297 2 U 6.762e+04 0.00e+00 e 0 687 688 688 0 382 117.074 4.383 8.297 2 U 1.670e+04 0.00e+00 e 0 687 690 688 0 383 117.074 1.420 8.297 2 U 1.090e+04 0.00e+00 e 0 687 692 688 0 384 117.074 1.525 8.297 2 U 1.618e+04 0.00e+00 e 0 687 693 688 0 385 117.074 1.551 8.297 2 U 3.950e+03 0.00e+00 e 0 687 696 688 0 386 117.074 0.707 8.297 2 U 6.300e+03 0.00e+00 e 0 687 697 688 0 387 117.074 0.743 8.297 2 U 3.700e+03 0.00e+00 e 0 687 698 688 0 388 117.074 7.665 8.297 2 U 8.320e+04 0.00e+00 e 0 687 710 688 0 389 117.193 8.297 7.665 2 U 2.970e+04 0.00e+00 e 0 709 688 710 0 390 117.193 4.383 7.665 2 U 1.470e+04 0.00e+00 e 0 709 690 710 0 391 117.193 1.420 7.665 2 U 1.160e+04 0.00e+00 e 0 709 692 710 0 392 117.193 1.525 7.665 2 U 1.370e+04 0.00e+00 e 0 709 693 710 0 393 117.193 1.551 7.665 2 U 7.500e+02 0.00e+00 e 0 709 696 710 0 394 117.193 0.707 7.665 2 U 3.000e+02 0.00e+00 e 0 709 697 710 0 395 117.193 0.743 7.665 2 U 1.400e+03 0.00e+00 e 0 709 698 710 0 396 117.193 7.665 7.665 2 U 9.540e+04 0.00e+00 e 0 709 710 710 0 397 117.193 4.223 7.665 2 U 1.550e+04 0.00e+00 e 0 709 712 710 0 398 117.193 1.128 7.665 2 U 1.840e+04 0.00e+00 e 0 709 714 710 0 399 117.193 1.934 7.665 2 U 1.460e+04 0.00e+00 e 0 709 715 710 0 400 117.193 1.309 7.665 2 U 1.540e+04 0.00e+00 e 0 709 718 710 0 401 117.193 1.543 7.665 2 U 3.580e+03 0.00e+00 e 0 709 719 710 0 403 117.193 3.239 7.665 2 U 3.380e+03 0.00e+00 e 0 709 723 710 0 404 117.193 7.024 7.665 2 U 3.380e+04 0.00e+00 e 0 709 736 710 0 405 108.998 7.665 7.024 2 U 2.820e+04 0.00e+00 e 0 735 710 736 0 406 108.998 4.223 7.024 2 U 3.712e+03 0.00e+00 e 0 735 712 736 0 407 108.998 1.128 7.024 2 U 3.545e+03 0.00e+00 e 0 735 714 736 0 408 108.998 1.934 7.024 2 U 2.209e+03 0.00e+00 e 0 735 715 736 0 409 108.998 1.309 7.024 2 U 1.240e+03 0.00e+00 e 0 735 718 736 0 410 108.998 1.543 7.024 2 U 2.370e+03 0.00e+00 e 0 735 719 736 0 411 108.998 2.932 7.024 2 U 1.250e+03 0.00e+00 e 0 735 766 736 0 412 108.998 3.239 7.024 2 U -4.280e+02 0.00e+00 e 0 735 723 736 0 413 108.998 7.024 7.024 2 U 1.126e+05 0.00e+00 e 0 735 736 736 0 414 108.998 3.834 7.024 2 U 2.920e+04 0.00e+00 e 0 735 738 736 0 415 108.998 1.878 7.024 2 U 3.790e+03 0.00e+00 e 0 735 740 736 0 416 108.998 0.744 7.024 2 U 3.310e+04 0.00e+00 e 0 735 741 736 0 417 108.998 0.817 7.024 2 U 1.250e+04 0.00e+00 e 0 735 742 736 0 418 119.958 4.761 7.699 2 U 1.060e+04 0.00e+00 e 0 769 756 770 0 419 119.958 1.693 7.699 2 U 1.604e+03 0.00e+00 e 0 769 758 770 0 420 119.958 2.239 7.699 2 U 6.200e+01 0.00e+00 e 0 769 759 770 0 421 119.958 1.142 7.699 2 U 7.410e+02 0.00e+00 e 0 769 762 770 0 422 119.958 1.482 7.699 2 U 1.920e+03 0.00e+00 e 0 769 763 770 0 425 119.958 7.699 7.699 2 U 6.040e+04 0.00e+00 e 0 769 770 770 0 426 119.958 4.847 7.699 2 U 1.450e+04 0.00e+00 e 0 769 772 770 0 427 119.958 1.517 7.699 2 U 4.380e+03 0.00e+00 e 0 769 774 770 0 428 119.958 0.720 7.699 2 U 3.520e+03 0.00e+00 e 0 769 775 770 0 429 119.958 0.824 7.699 2 U 1.970e+04 0.00e+00 e 0 769 776 770 0 430 119.958 8.847 7.699 2 U 1.090e+03 0.00e+00 e 0 769 788 770 0 431 128.418 7.699 8.847 2 U 9.150e+02 0.00e+00 e 0 787 770 788 0 432 128.418 4.847 8.847 2 U 6.710e+04 0.00e+00 e 0 787 772 788 0 433 128.418 1.517 8.847 2 U 1.369e+03 0.00e+00 e 0 787 774 788 0 434 128.418 0.720 8.847 2 U 3.030e+04 0.00e+00 e 0 787 775 788 0 435 128.418 0.824 8.847 2 U 6.598e+03 0.00e+00 e 0 787 776 788 0 436 128.418 8.847 8.847 2 U 4.600e+04 0.00e+00 e 0 787 788 788 0 437 128.418 5.137 8.847 2 U 9.930e+03 0.00e+00 e 0 787 790 788 0 438 128.418 0.775 8.847 2 U 9.630e+03 0.00e+00 e 0 787 792 788 0 439 128.418 1.063 8.847 2 U 2.330e+04 0.00e+00 e 0 787 793 788 0 440 128.418 1.188 8.847 2 U 4.240e+03 0.00e+00 e 0 787 796 788 0 441 128.418 0.316 8.847 2 U 2.270e+03 0.00e+00 e 0 787 797 788 0 442 128.418 0.410 8.847 2 U 3.390e+03 0.00e+00 e 0 787 798 788 0 443 128.418 9.420 8.847 2 U 2.410e+03 0.00e+00 e 0 787 810 788 0 444 124.587 8.847 9.420 2 U 1.430e+03 0.00e+00 e 0 809 788 810 0 445 124.587 5.137 9.420 2 U 1.090e+05 0.00e+00 e 0 809 790 810 0 446 124.587 0.775 9.420 2 U 2.652e+03 0.00e+00 e 0 809 792 810 0 447 124.587 1.063 9.420 2 U 2.508e+03 0.00e+00 e 0 809 793 810 0 448 124.587 1.188 9.420 2 U 5.060e+03 0.00e+00 e 0 809 796 810 0 449 124.587 0.316 9.420 2 U 4.655e+03 0.00e+00 e 0 809 797 810 0 450 124.587 0.410 9.420 2 U 2.478e+03 0.00e+00 e 0 809 798 810 0 451 124.587 9.420 9.420 2 U 8.400e+04 0.00e+00 e 0 809 810 810 0 452 124.587 5.877 9.420 2 U 4.150e+03 0.00e+00 e 0 809 812 810 0 453 124.587 1.598 9.420 2 U 1.050e+04 0.00e+00 e 0 809 814 810 0 454 124.587 1.724 9.420 2 U 8.350e+03 0.00e+00 e 0 809 815 810 0 455 124.587 1.980 9.420 2 U 6.020e+02 0.00e+00 e 0 809 818 810 0 456 124.587 1.967 9.420 2 U 6.100e+02 0.00e+00 e 0 809 819 810 0 459 124.587 9.005 9.420 2 U 9.820e+02 0.00e+00 e 0 809 836 810 0 461 128.828 5.877 9.005 2 U 4.920e+04 0.00e+00 e 0 835 812 836 0 462 128.828 1.598 9.005 2 U 9.640e+03 0.00e+00 e 0 835 814 836 0 463 128.828 1.724 9.005 2 U 6.300e+03 0.00e+00 e 0 835 815 836 0 464 128.828 1.980 9.005 2 U 3.080e+03 0.00e+00 e 0 835 818 836 0 465 128.828 1.967 9.005 2 U 3.080e+03 0.00e+00 e 0 835 819 836 0 468 128.828 9.005 9.005 2 U 2.860e+05 0.00e+00 e 0 835 836 836 0 469 128.828 5.056 9.005 2 U 9.280e+03 0.00e+00 e 0 835 838 836 0 470 128.828 2.374 9.005 2 U 9.620e+03 0.00e+00 e 0 835 840 836 0 471 128.828 3.013 9.005 2 U 7.670e+03 0.00e+00 e 0 835 841 836 0 472 113.914 4.303 7.564 2 U 9.590e+03 0.00e+00 e 0 862 849 863 0 473 113.914 1.686 7.564 2 U 5.600e+03 0.00e+00 e 0 862 851 863 0 474 113.914 2.332 7.564 2 U 4.110e+03 0.00e+00 e 0 862 852 863 0 475 113.914 1.965 7.564 2 U 5.053e+03 0.00e+00 e 0 862 855 863 0 476 113.914 1.953 7.564 2 U 5.820e+02 0.00e+00 e 0 862 856 863 0 477 113.914 3.523 7.564 2 U 5.460e+03 0.00e+00 e 0 862 858 863 0 478 113.914 3.585 7.564 2 U 4.230e+03 0.00e+00 e 0 862 859 863 0 479 113.914 7.564 7.564 2 U 9.963e+04 0.00e+00 e 0 862 863 863 0 480 113.914 4.388 7.564 2 U 1.930e+04 0.00e+00 e 0 862 865 863 0 481 113.914 2.028 7.564 2 U 1.192e+04 0.00e+00 e 0 862 867 863 0 482 113.914 2.043 7.564 2 U 1.173e+04 0.00e+00 e 0 862 868 863 0 483 113.914 2.354 7.564 2 U 4.435e+03 0.00e+00 e 0 862 871 863 0 484 113.914 2.363 7.564 2 U 7.464e+03 0.00e+00 e 0 862 872 863 0 485 113.914 8.273 7.564 2 U 4.360e+04 0.00e+00 e 0 862 881 863 0 486 108.844 7.564 8.273 2 U 6.422e+04 0.00e+00 e 0 880 863 881 0 487 108.844 4.388 8.273 2 U 1.114e+04 0.00e+00 e 0 880 865 881 0 488 108.844 2.028 8.273 2 U 5.041e+03 0.00e+00 e 0 880 867 881 0 489 108.844 2.043 8.273 2 U 4.722e+03 0.00e+00 e 0 880 868 881 0 490 108.844 2.354 8.273 2 U 3.367e+03 0.00e+00 e 0 880 871 881 0 491 108.844 2.363 8.273 2 U 1.556e+03 0.00e+00 e 0 880 872 881 0 492 108.844 8.273 8.273 2 U 7.800e+04 0.00e+00 e 0 880 881 881 0 493 108.844 4.129 8.273 2 U 1.141e+04 0.00e+00 e 0 880 883 881 0 494 108.844 3.358 8.273 2 U 7.567e+03 0.00e+00 e 0 880 884 881 0 495 108.844 8.282 8.273 2 U 1.150e+04 0.00e+00 e 0 880 888 881 0 496 121.501 8.273 8.282 2 U 1.075e+04 0.00e+00 e 0 887 881 888 0 497 121.501 4.129 8.282 2 U 4.460e+03 0.00e+00 e 0 887 883 888 0 498 121.501 3.358 8.282 2 U 8.220e+03 0.00e+00 e 0 887 884 888 0 499 121.501 8.282 8.282 2 U 6.644e+04 0.00e+00 e 0 887 888 888 0 500 121.501 4.217 8.282 2 U 1.500e+04 0.00e+00 e 0 887 890 888 0 501 121.501 1.787 8.282 2 U 7.540e+03 0.00e+00 e 0 887 892 888 0 502 121.501 1.773 8.282 2 U 6.747e+03 0.00e+00 e 0 887 893 888 0 503 121.501 1.441 8.282 2 U 1.066e+04 0.00e+00 e 0 887 896 888 0 504 121.501 1.507 8.282 2 U 1.693e+04 0.00e+00 e 0 887 897 888 0 505 121.501 2.887 8.282 2 U 7.020e+02 0.00e+00 e 0 887 900 888 0 506 121.501 3.030 8.282 2 U 1.231e+03 0.00e+00 e 0 887 901 888 0 507 121.501 8.544 8.282 2 U 3.896e+03 0.00e+00 e 0 887 914 888 0 508 119.122 8.282 8.544 2 U 3.820e+03 0.00e+00 e 0 913 888 914 0 509 119.122 4.217 8.544 2 U 6.180e+04 0.00e+00 e 0 913 890 914 0 510 119.122 1.787 8.544 2 U 1.407e+04 0.00e+00 e 0 913 892 914 0 511 119.122 1.773 8.544 2 U 1.800e+04 0.00e+00 e 0 913 893 914 0 512 119.122 1.441 8.544 2 U 2.254e+03 0.00e+00 e 0 913 896 914 0 513 119.122 1.507 8.544 2 U 2.663e+03 0.00e+00 e 0 913 897 914 0 516 119.122 8.544 8.544 2 U 6.917e+04 0.00e+00 e 0 913 914 914 0 517 119.122 5.724 8.544 2 U 9.810e+03 0.00e+00 e 0 913 916 914 0 518 119.122 1.452 8.544 2 U 1.080e+04 0.00e+00 e 0 913 918 914 0 519 119.122 1.744 8.544 2 U 1.530e+04 0.00e+00 e 0 913 919 914 0 520 119.122 1.999 8.544 2 U 7.340e+03 0.00e+00 e 0 913 922 914 0 521 119.122 2.395 8.544 2 U 1.040e+04 0.00e+00 e 0 913 923 914 0 522 119.122 8.829 8.544 2 U 4.030e+03 0.00e+00 e 0 913 929 914 0 523 127.480 8.544 8.829 2 U 2.660e+03 0.00e+00 e 0 928 914 929 0 524 127.480 5.724 8.829 2 U 6.800e+04 0.00e+00 e 0 928 916 929 0 525 127.480 1.452 8.829 2 U 8.110e+03 0.00e+00 e 0 928 918 929 0 526 127.480 1.744 8.829 2 U 6.010e+03 0.00e+00 e 0 928 919 929 0 527 127.480 1.999 8.829 2 U 3.130e+03 0.00e+00 e 0 928 922 929 0 528 127.480 2.395 8.829 2 U 1.770e+03 0.00e+00 e 0 928 923 929 0 529 127.480 8.829 8.829 2 U 7.600e+04 0.00e+00 e 0 928 929 929 0 530 127.480 3.937 8.829 2 U 8.380e+03 0.00e+00 e 0 928 931 929 0 531 127.480 10.498 8.829 2 U 1.170e+04 0.00e+00 e 0 928 933 929 0 532 127.480 0.179 8.829 2 U 9.180e+03 0.00e+00 e 0 928 934 929 0 533 127.480 0.523 8.829 2 U 2.270e+03 0.00e+00 e 0 928 937 929 0 534 127.480 -0.682 8.829 2 U 1.198e+03 0.00e+00 e 0 928 938 929 0 535 127.480 0.111 8.829 2 U 3.880e+03 0.00e+00 e 0 928 939 929 0 536 127.480 8.291 8.829 2 U 2.810e+03 0.00e+00 e 0 928 951 929 0 537 126.901 8.829 8.291 2 U 3.270e+03 0.00e+00 e 0 950 929 951 0 538 126.901 3.937 8.291 2 U 8.400e+04 0.00e+00 e 0 950 931 951 0 539 126.901 10.498 8.291 2 U 3.920e+03 0.00e+00 e 0 950 933 951 0 540 126.901 0.179 8.291 2 U 5.950e+03 0.00e+00 e 0 950 934 951 0 541 126.901 0.523 8.291 2 U 7.520e+03 0.00e+00 e 0 950 937 951 0 542 126.901 -0.682 8.291 2 U -2.800e+01 0.00e+00 e 0 950 938 951 0 543 126.901 0.111 8.291 2 U 5.280e+04 0.00e+00 e 0 950 939 951 0 544 126.901 8.291 8.291 2 U 2.110e+05 0.00e+00 e 0 950 951 951 0 545 126.901 4.867 8.291 2 U 1.560e+04 0.00e+00 e 0 950 953 951 0 546 126.901 2.443 8.291 2 U 3.170e+04 0.00e+00 e 0 950 955 951 0 547 126.901 2.734 8.291 2 U 1.740e+04 0.00e+00 e 0 950 956 951 0 549 121.050 8.291 7.879 2 U 1.040e+03 0.00e+00 e 0 961 951 962 0 550 121.050 4.867 7.879 2 U 7.803e+04 0.00e+00 e 0 961 953 962 0 551 121.050 2.443 7.879 2 U 3.300e+03 0.00e+00 e 0 961 955 962 0 552 121.050 2.734 7.879 2 U 5.590e+03 0.00e+00 e 0 961 956 962 0 553 121.050 7.879 7.879 2 U 4.017e+04 0.00e+00 e 0 961 962 962 0 554 118.225 4.293 7.045 2 U 3.490e+04 0.00e+00 e 0 1024 1004 1025 0 555 118.225 2.735 7.045 2 U 8.950e+03 0.00e+00 e 0 1024 1006 1025 0 556 118.225 2.552 7.045 2 U 2.230e+04 0.00e+00 e 0 1024 1007 1025 0 557 118.225 7.045 7.045 2 U 7.117e+04 0.00e+00 e 0 1024 1025 1025 0 558 118.225 4.544 7.045 2 U 1.090e+04 0.00e+00 e 0 1024 1027 1025 0 559 118.225 2.555 7.045 2 U 1.506e+04 0.00e+00 e 0 1024 1029 1025 0 560 118.225 2.937 7.045 2 U 4.560e+03 0.00e+00 e 0 1024 1030 1025 0 561 118.225 9.061 7.045 2 U 1.120e+03 0.00e+00 e 0 1024 1036 1025 0 562 120.665 7.045 9.061 2 U 8.800e+02 0.00e+00 e 0 1035 1025 1036 0 563 120.665 4.544 9.061 2 U 4.360e+04 0.00e+00 e 0 1035 1027 1036 0 564 120.665 2.555 9.061 2 U 2.780e+04 0.00e+00 e 0 1035 1029 1036 0 565 120.665 2.937 9.061 2 U 7.870e+04 0.00e+00 e 0 1035 1030 1036 0 566 120.665 9.061 9.061 2 U 8.805e+04 0.00e+00 e 0 1035 1036 1036 0 567 120.665 4.157 9.061 2 U 2.630e+04 0.00e+00 e 0 1035 1038 1036 0 568 120.665 1.408 9.061 2 U 6.790e+04 0.00e+00 e 0 1035 1039 1036 0 569 119.287 4.125 7.849 2 U 9.500e+03 0.00e+00 e 0 1061 1048 1062 0 570 119.287 1.709 7.849 2 U 3.026e+03 0.00e+00 e 0 1061 1050 1062 0 571 119.287 2.118 7.849 2 U 2.032e+03 0.00e+00 e 0 1061 1051 1062 0 572 119.287 1.737 7.849 2 U 3.672e+03 0.00e+00 e 0 1061 1054 1062 0 573 119.287 1.996 7.849 2 U 4.832e+03 0.00e+00 e 0 1061 1055 1062 0 574 119.287 3.519 7.849 2 U 7.100e+03 0.00e+00 e 0 1061 1057 1062 0 575 119.287 3.538 7.849 2 U 4.280e+03 0.00e+00 e 0 1061 1058 1062 0 576 119.287 7.849 7.849 2 U 8.870e+04 0.00e+00 e 0 1061 1062 1062 0 577 119.287 4.010 7.849 2 U 3.360e+04 0.00e+00 e 0 1061 1064 1062 0 578 119.287 1.694 7.849 2 U 1.295e+04 0.00e+00 e 0 1061 1066 1062 0 579 119.287 1.900 7.849 2 U 9.521e+03 0.00e+00 e 0 1061 1067 1062 0 580 119.287 1.525 7.849 2 U 2.998e+03 0.00e+00 e 0 1061 1070 1062 0 581 119.287 1.592 7.849 2 U 9.161e+03 0.00e+00 e 0 1061 1071 1062 0 584 119.287 8.450 7.849 2 U 3.670e+04 0.00e+00 e 0 1061 1088 1062 0 585 121.629 7.849 8.450 2 U 2.840e+04 0.00e+00 e 0 1087 1062 1088 0 586 121.629 4.010 8.450 2 U 7.380e+03 0.00e+00 e 0 1087 1064 1088 0 587 121.629 1.694 8.450 2 U 1.033e+04 0.00e+00 e 0 1087 1066 1088 0 588 121.629 1.900 8.450 2 U 1.198e+04 0.00e+00 e 0 1087 1067 1088 0 589 121.629 1.525 8.450 2 U 2.240e+03 0.00e+00 e 0 1087 1070 1088 0 590 121.629 1.592 8.450 2 U 1.800e+03 0.00e+00 e 0 1087 1071 1088 0 593 121.629 8.450 8.450 2 U 8.253e+04 0.00e+00 e 0 1087 1088 1088 0 594 121.629 3.701 8.450 2 U 1.540e+04 0.00e+00 e 0 1087 1090 1088 0 595 121.629 1.326 8.450 2 U 6.160e+04 0.00e+00 e 0 1087 1092 1088 0 596 121.629 1.548 8.450 2 U 2.150e+04 0.00e+00 e 0 1087 1093 1088 0 597 121.629 1.168 8.450 2 U 3.333e+03 0.00e+00 e 0 1087 1096 1088 0 598 121.629 -0.661 8.450 2 U 2.437e+03 0.00e+00 e 0 1087 1097 1088 0 599 121.629 0.433 8.450 2 U 5.360e+03 0.00e+00 e 0 1087 1098 1088 0 600 121.629 8.737 8.450 2 U 2.990e+04 0.00e+00 e 0 1087 1110 1088 0 601 119.893 8.450 8.737 2 U 1.410e+04 0.00e+00 e 0 1109 1088 1110 0 602 119.893 3.701 8.737 2 U 7.950e+03 0.00e+00 e 0 1109 1090 1110 0 603 119.893 1.326 8.737 2 U 6.063e+03 0.00e+00 e 0 1109 1092 1110 0 604 119.893 1.548 8.737 2 U 3.728e+03 0.00e+00 e 0 1109 1093 1110 0 605 119.893 1.168 8.737 2 U 2.776e+03 0.00e+00 e 0 1109 1096 1110 0 606 119.893 -0.661 8.737 2 U 4.720e+02 0.00e+00 e 0 1109 1097 1110 0 607 119.893 0.433 8.737 2 U 3.168e+03 0.00e+00 e 0 1109 1098 1110 0 608 119.893 8.737 8.737 2 U 6.354e+04 0.00e+00 e 0 1109 1110 1110 0 609 119.893 3.811 8.737 2 U 2.060e+04 0.00e+00 e 0 1109 1112 1110 0 610 119.893 1.777 8.737 2 U 3.600e+04 0.00e+00 e 0 1109 1114 1110 0 611 119.893 1.948 8.737 2 U 3.320e+04 0.00e+00 e 0 1109 1115 1110 0 612 119.893 1.520 8.737 2 U 4.067e+03 0.00e+00 e 0 1109 1118 1110 0 613 119.893 1.729 8.737 2 U 3.491e+03 0.00e+00 e 0 1109 1119 1110 0 614 119.893 3.310 8.737 2 U 9.990e+02 0.00e+00 e 0 1109 1122 1110 0 615 119.893 3.125 8.737 2 U 4.960e+03 0.00e+00 e 0 1109 1123 1110 0 616 119.893 7.742 8.737 2 U 2.800e+04 0.00e+00 e 0 1109 1136 1110 0 617 119.572 8.737 7.742 2 U 3.620e+04 0.00e+00 e 0 1135 1110 1136 0 618 119.572 3.811 7.742 2 U 7.843e+03 0.00e+00 e 0 1135 1112 1136 0 619 119.572 1.777 7.742 2 U 1.380e+04 0.00e+00 e 0 1135 1114 1136 0 620 119.572 1.948 7.742 2 U 9.190e+03 0.00e+00 e 0 1135 1115 1136 0 621 119.572 1.520 7.742 2 U 2.110e+03 0.00e+00 e 0 1135 1118 1136 0 622 119.572 1.729 7.742 2 U 5.164e+03 0.00e+00 e 0 1135 1119 1136 0 623 119.572 3.310 7.742 2 U 3.780e+03 0.00e+00 e 0 1135 1122 1136 0 624 119.572 3.125 7.742 2 U 2.950e+02 0.00e+00 e 0 1135 1123 1136 0 625 119.572 7.742 7.742 2 U 9.000e+04 0.00e+00 e 0 1135 1136 1136 0 626 119.572 4.020 7.742 2 U 2.709e+04 0.00e+00 e 0 1135 1138 1136 0 627 119.572 1.363 7.742 2 U 6.100e+04 0.00e+00 e 0 1135 1139 1136 0 628 119.572 8.033 7.742 2 U 3.330e+04 0.00e+00 e 0 1135 1146 1136 0 629 120.729 7.742 8.033 2 U 3.840e+04 0.00e+00 e 0 1145 1136 1146 0 630 120.729 4.020 8.033 2 U 1.198e+04 0.00e+00 e 0 1145 1138 1146 0 631 120.729 1.363 8.033 2 U 3.310e+04 0.00e+00 e 0 1145 1139 1146 0 632 120.729 8.033 8.033 2 U 9.731e+04 0.00e+00 e 0 1145 1146 1146 0 633 120.729 4.193 8.033 2 U 1.840e+04 0.00e+00 e 0 1145 1148 1146 0 634 120.729 3.040 8.033 2 U 6.470e+04 0.00e+00 e 0 1145 1150 1146 0 635 120.729 3.340 8.033 2 U 3.610e+04 0.00e+00 e 0 1145 1151 1146 0 636 120.729 8.817 8.033 2 U 2.050e+04 0.00e+00 e 0 1145 1170 1146 0 637 121.501 8.033 8.817 2 U 3.290e+04 0.00e+00 e 0 1169 1146 1170 0 638 121.501 4.193 8.817 2 U 9.080e+03 0.00e+00 e 0 1169 1148 1170 0 639 121.501 3.040 8.817 2 U 5.080e+03 0.00e+00 e 0 1169 1150 1170 0 640 121.501 3.340 8.817 2 U 1.000e+04 0.00e+00 e 0 1169 1151 1170 0 641 121.501 8.817 8.817 2 U 9.500e+04 0.00e+00 e 0 1169 1170 1170 0 642 121.501 3.500 8.817 2 U 2.160e+04 0.00e+00 e 0 1169 1172 1170 0 643 121.501 1.273 8.817 2 U 1.410e+04 0.00e+00 e 0 1169 1174 1170 0 644 121.501 1.857 8.817 2 U 2.360e+04 0.00e+00 e 0 1169 1175 1170 0 645 121.501 1.912 8.817 2 U 8.770e+03 0.00e+00 e 0 1169 1178 1170 0 646 121.501 0.777 8.817 2 U 7.560e+03 0.00e+00 e 0 1169 1179 1170 0 647 121.501 0.667 8.817 2 U 1.370e+04 0.00e+00 e 0 1169 1180 1170 0 648 121.501 8.142 8.817 2 U 2.660e+04 0.00e+00 e 0 1169 1192 1170 0 649 119.122 8.817 8.142 2 U 2.220e+04 0.00e+00 e 0 1191 1170 1192 0 650 119.122 3.500 8.142 2 U 5.320e+03 0.00e+00 e 0 1191 1172 1192 0 651 119.122 1.273 8.142 2 U 1.560e+04 0.00e+00 e 0 1191 1174 1192 0 652 119.122 1.857 8.142 2 U 5.190e+03 0.00e+00 e 0 1191 1175 1192 0 653 119.122 1.912 8.142 2 U 2.996e+03 0.00e+00 e 0 1191 1178 1192 0 654 119.122 0.777 8.142 2 U 2.070e+03 0.00e+00 e 0 1191 1179 1192 0 655 119.122 0.667 8.142 2 U 4.840e+03 0.00e+00 e 0 1191 1180 1192 0 656 119.122 8.142 8.142 2 U 9.101e+04 0.00e+00 e 0 1191 1192 1192 0 657 119.122 4.257 8.142 2 U 2.310e+04 0.00e+00 e 0 1191 1194 1192 0 658 119.122 2.566 8.142 2 U 1.360e+04 0.00e+00 e 0 1191 1196 1192 0 659 119.122 2.520 8.142 2 U 1.700e+04 0.00e+00 e 0 1191 1197 1192 0 660 119.122 7.116 8.142 2 U 2.360e+04 0.00e+00 e 0 1191 1203 1192 0 661 120.600 8.142 7.116 2 U 2.230e+04 0.00e+00 e 0 1202 1192 1203 0 662 120.600 4.257 7.116 2 U 1.320e+04 0.00e+00 e 0 1202 1194 1203 0 663 120.600 2.566 7.116 2 U 1.590e+04 0.00e+00 e 0 1202 1196 1203 0 664 120.600 2.520 7.116 2 U 9.290e+03 0.00e+00 e 0 1202 1197 1203 0 665 120.600 7.116 7.116 2 U 8.160e+04 0.00e+00 e 0 1202 1203 1203 0 666 120.600 4.104 7.116 2 U 2.790e+04 0.00e+00 e 0 1202 1205 1203 0 667 120.600 1.209 7.116 2 U 9.500e+04 0.00e+00 e 0 1202 1206 1203 0 668 120.600 7.018 7.116 2 U 1.710e+04 0.00e+00 e 0 1202 1213 1203 0 669 122.979 7.116 7.018 2 U 3.130e+04 0.00e+00 e 0 1212 1203 1213 0 670 122.979 4.104 7.018 2 U 1.154e+04 0.00e+00 e 0 1212 1205 1213 0 671 122.979 1.209 7.018 2 U 2.870e+04 0.00e+00 e 0 1212 1206 1213 0 672 122.979 7.018 7.018 2 U 6.460e+05 0.00e+00 e 0 1212 1213 1213 0 673 118.028 4.131 8.232 2 U 6.480e+04 0.00e+00 e 0 1238 1225 1239 0 674 118.028 1.594 8.232 2 U 4.810e+03 0.00e+00 e 0 1238 1227 1239 0 675 118.028 2.039 8.232 2 U 8.070e+03 0.00e+00 e 0 1238 1228 1239 0 676 118.028 1.774 8.232 2 U 4.254e+03 0.00e+00 e 0 1238 1231 1239 0 677 118.028 1.780 8.232 2 U 2.336e+03 0.00e+00 e 0 1238 1232 1239 0 678 118.028 3.320 8.232 2 U 2.180e+03 0.00e+00 e 0 1238 1234 1239 0 679 118.028 3.498 8.232 2 U 1.280e+03 0.00e+00 e 0 1238 1235 1239 0 680 118.028 8.232 8.232 2 U 6.000e+05 0.00e+00 e 0 1238 1239 1239 0 681 118.028 4.409 8.232 2 U 1.420e+04 0.00e+00 e 0 1238 1241 1239 0 682 118.028 2.991 8.232 2 U 1.680e+04 0.00e+00 e 0 1238 1243 1239 0 683 118.028 2.925 8.232 2 U 8.980e+03 0.00e+00 e 0 1238 1244 1239 0 685 124.950 8.232 8.084 2 U 2.700e+03 0.00e+00 e 0 1255 1239 1256 0 686 124.950 4.409 8.084 2 U 1.206e+04 0.00e+00 e 0 1255 1241 1256 0 687 124.950 2.991 8.084 2 U 5.258e+03 0.00e+00 e 0 1255 1243 1256 0 688 124.950 2.925 8.084 2 U 4.878e+03 0.00e+00 e 0 1255 1244 1256 0 689 124.950 8.084 8.084 2 U 1.220e+06 0.00e+00 e 0 1255 1256 1256 0 690 124.950 4.062 8.084 2 U 3.340e+04 0.00e+00 e 0 1255 1258 1256 0 691 124.950 1.178 8.084 2 U 7.160e+04 0.00e+00 e 0 1255 1259 1256 0 692 124.950 8.225 8.084 2 U 9.550e+02 0.00e+00 e 0 1255 1266 1256 0 693 120.858 8.084 8.225 2 U 3.410e+03 0.00e+00 e 0 1265 1256 1266 0 694 120.858 4.062 8.225 2 U 8.490e+04 0.00e+00 e 0 1265 1258 1266 0 695 120.858 1.178 8.225 2 U 9.282e+03 0.00e+00 e 0 1265 1259 1266 0 696 120.858 8.225 8.225 2 U 5.900e+04 0.00e+00 e 0 1265 1266 1266 0 697 120.858 4.091 8.225 2 U 7.100e+03 0.00e+00 e 0 1265 1268 1266 0 698 120.858 1.321 8.225 2 U 8.300e+03 0.00e+00 e 0 1265 1270 1266 0 699 120.858 1.413 8.225 2 U 5.100e+03 0.00e+00 e 0 1265 1271 1266 0 700 120.858 1.456 8.225 2 U 4.500e+03 0.00e+00 e 0 1265 1274 1266 0 701 120.858 0.658 8.225 2 U 1.440e+04 0.00e+00 e 0 1265 1275 1266 0 702 120.858 0.749 8.225 2 U 5.920e+03 0.00e+00 e 0 1265 1276 1266 0 703 120.858 8.142 8.225 2 U 3.000e+03 0.00e+00 e 0 1265 1288 1266 0 704 121.051 8.225 8.142 2 U 3.000e+03 0.00e+00 e 0 1287 1266 1288 0 705 121.051 4.091 8.142 2 U 5.486e+04 0.00e+00 e 0 1287 1268 1288 0 706 121.051 1.321 8.142 2 U 1.700e+03 0.00e+00 e 0 1287 1270 1288 0 707 121.051 1.413 8.142 2 U 8.340e+03 0.00e+00 e 0 1287 1271 1288 0 708 121.051 1.456 8.142 2 U 6.140e+03 0.00e+00 e 0 1287 1274 1288 0 709 121.051 0.658 8.142 2 U 1.880e+03 0.00e+00 e 0 1287 1275 1288 0 710 121.051 0.749 8.142 2 U 3.630e+03 0.00e+00 e 0 1287 1276 1288 0 711 121.051 8.142 8.142 2 U 9.780e+04 0.00e+00 e 0 1287 1288 1288 0 712 121.051 3.991 8.142 2 U 3.610e+04 0.00e+00 e 0 1287 1290 1288 0 713 121.051 1.685 8.142 2 U 8.500e+03 0.00e+00 e 0 1287 1292 1288 0 714 121.051 1.706 8.142 2 U 1.230e+04 0.00e+00 e 0 1287 1293 1288 0 715 121.051 1.995 8.142 2 U 7.950e+03 0.00e+00 e 0 1287 1296 1288 0 716 121.051 2.012 8.142 2 U 1.400e+04 0.00e+00 e 0 1287 1297 1288 0 717 121.051 8.230 8.142 2 U 3.560e+03 0.00e+00 e 0 1287 1303 1288 0 718 119.678 8.142 8.213 2 U 5.350e+04 0.00e+00 e 0 1302 1288 1303 0 719 119.678 3.991 8.213 2 U 2.010e+04 0.00e+00 e 0 1302 1290 1303 0 720 119.678 1.685 8.213 2 U 1.270e+03 0.00e+00 e 0 1302 1292 1303 0 721 119.678 1.706 8.213 2 U 2.780e+03 0.00e+00 e 0 1302 1293 1303 0 722 119.678 1.995 8.213 2 U 2.980e+03 0.00e+00 e 0 1302 1296 1303 0 723 119.678 2.012 8.213 2 U 4.270e+02 0.00e+00 e 0 1302 1297 1303 0 724 119.678 8.230 8.213 2 U 5.160e+04 0.00e+00 e 0 1302 1303 1303 0 725 119.678 4.294 8.213 2 U 1.300e+03 0.00e+00 e 0 1302 1305 1303 0 726 119.678 1.760 8.213 2 U 3.480e+03 0.00e+00 e 0 1302 1307 1303 0 727 119.678 2.822 8.213 2 U 1.710e+04 0.00e+00 e 0 1302 1308 1303 0 728 119.678 8.202 8.213 2 U 1.080e+05 0.00e+00 e 0 1302 1320 1303 0 729 119.996 8.230 8.185 2 U 8.150e+03 0.00e+00 e 0 1319 1303 1320 0 730 119.996 4.294 8.185 2 U 8.860e+02 0.00e+00 e 0 1319 1305 1320 0 732 119.996 2.822 8.185 2 U 3.120e+03 0.00e+00 e 0 1319 1308 1320 0 733 119.996 8.202 8.185 2 U 3.330e+04 0.00e+00 e 0 1319 1320 1320 0 734 119.996 4.422 8.185 2 U 4.340e+03 0.00e+00 e 0 1319 1322 1320 0 735 119.996 3.008 8.185 2 U 1.030e+02 0.00e+00 e 0 1319 1324 1320 0 736 119.996 2.931 8.185 2 U 6.850e+02 0.00e+00 e 0 1319 1325 1320 0 737 119.996 8.069 8.185 2 U 1.030e+03 0.00e+00 e 0 1319 1337 1320 0 738 125.294 8.202 8.069 2 U 1.460e+03 0.00e+00 e 0 1336 1320 1337 0 739 125.294 4.422 8.069 2 U 1.030e+04 0.00e+00 e 0 1336 1322 1337 0 740 125.294 3.008 8.069 2 U 8.220e+03 0.00e+00 e 0 1336 1324 1337 0 741 125.294 2.931 8.069 2 U 1.210e+04 0.00e+00 e 0 1336 1325 1337 0 742 125.294 8.069 8.069 2 U 1.020e+06 0.00e+00 e 0 1336 1337 1337 0 743 122.979 1.030 7.018 1 U 7.940e+04 0.00e+00 e 0 1212 1216 1213 0 744 122.979 3.854 7.018 1 U 3.470e+04 0.00e+00 e 0 1212 1215 1213 0 745 118.225 6.571 7.045 1 U 3.359e+03 0.00e+00 e 0 1024 1002 1025 0 747 121.050 3.988 7.879 1 U 2.060e+04 0.00e+00 e 0 961 964 962 0 748 121.050 3.452 7.879 1 U 4.100e+04 0.00e+00 e 0 961 967 962 0 749 121.050 2.751 7.879 1 U 1.560e+04 0.00e+00 e 0 961 966 962 0 2001 118.581 2.904 7.577 1 U 3.220e+03 0.00e+00 e 0 234 229 235 0 2002 118.581 3.168 7.577 1 U 1.080e+04 0.00e+00 e 0 234 230 235 0 2003 111.484 3.784 8.444 1 U 7.122e+03 0.00e+00 e 0 680 625 681 0 2004 118.581 4.425 7.577 1 U 1.060e+04 0.00e+00 e 0 234 0 235 0 2005 118.581 3.514 7.577 1 U 4.230e+03 0.00e+00 e 0 234 227 235 0 2006 118.581 7.836 7.577 1 U 2.362e+03 0.00e+00 e 0 234 264 235 0 2007 120.022 7.704 7.393 1 U 2.868e+03 0.00e+00 e 0 245 274 246 0 2010 120.022 3.413 7.393 1 U 3.760e+03 0.00e+00 e 0 245 205 246 0 2011 124.960 7.577 7.836 1 U 2.118e+03 0.00e+00 e 0 263 235 264 0 2013 124.960 8.064 7.836 1 U 5.700e+02 0.00e+00 e 0 263 307 264 0 2014 118.157 8.064 7.704 1 U 3.730e+03 0.00e+00 e 0 273 307 274 0 2017 120.074 7.836 7.443 1 U 4.420e+03 0.00e+00 e 0 291 264 292 0 2019 118.157 1.986 7.704 1 U 5.100e+02 0.00e+00 e 0 273 296 274 0 2020 118.157 4.153 7.704 1 U 3.583e+03 0.00e+00 e 0 273 237 274 0 2021 118.157 0.373 7.704 1 U 3.020e+03 0.00e+00 e 0 273 74 274 0 2022 118.157 7.577 7.704 1 U 5.600e+02 0.00e+00 e 0 273 235 274 0 2023 120.074 1.432 7.443 1 U 2.941e+03 0.00e+00 e 0 291 310 292 0 2024 120.074 1.179 7.443 1 U 5.000e+02 0.00e+00 e 0 291 267 292 0 2026 122.915 3.920 8.064 1 U 1.136e+04 0.00e+00 e 0 306 266 307 0 2027 122.915 8.301 8.064 1 U 8.670e+03 0.00e+00 e 0 306 0 307 0 2028 122.915 8.533 8.064 1 U 2.357e+03 0.00e+00 e 0 306 349 307 0 2030 118.800 8.394 7.887 1 U 2.170e+03 0.00e+00 e 0 316 0 317 0 2031 118.800 8.533 7.887 1 U 2.180e+03 0.00e+00 e 0 316 349 317 0 2032 118.800 7.624 7.887 1 U 4.620e+03 0.00e+00 e 0 316 0 317 0 2033 118.800 3.203 7.887 1 U 1.158e+04 0.00e+00 e 0 316 276 317 0 2034 118.800 3.924 7.887 1 U 2.600e+03 0.00e+00 e 0 316 266 317 0 2035 118.800 4.680 7.887 1 U 2.810e+03 0.00e+00 e 0 316 0 317 0 2036 118.800 0.434 7.887 1 U 1.130e+04 0.00e+00 e 0 316 1098 317 0 2038 120.858 7.764 7.394 1 U 7.800e+02 0.00e+00 e 0 338 403 339 0 2041 120.215 7.887 8.533 1 U 1.670e+03 0.00e+00 e 0 348 317 349 0 2042 120.215 7.777 8.533 1 U 3.960e+03 0.00e+00 e 0 348 377 349 0 2046 114.888 8.533 7.777 1 U 5.100e+03 0.00e+00 e 0 376 349 377 0 2048 119.061 7.397 8.256 1 U 1.514e+03 0.00e+00 e 0 366 339 367 0 2051 119.061 3.500 8.256 1 U 3.936e+03 0.00e+00 e 0 366 319 367 0 2053 119.061 0.436 8.256 1 U 6.220e+03 0.00e+00 e 0 366 1098 367 0 2054 114.888 1.168 7.777 1 U 8.740e+03 0.00e+00 e 0 376 0 377 0 2056 114.888 3.529 7.777 1 U 2.720e+03 0.00e+00 e 0 376 319 377 0 2058 117.900 3.530 7.764 1 U 1.010e+04 0.00e+00 e 0 402 319 403 0 2059 117.900 4.112 7.764 1 U 1.039e+04 0.00e+00 e 0 402 341 403 0 2060 117.900 1.309 7.764 1 U 1.960e+04 0.00e+00 e 0 402 370 403 0 2061 117.900 0.672 7.764 1 U 4.560e+03 0.00e+00 e 0 402 1180 403 0 2062 117.900 0.322 7.764 1 U 7.050e+03 0.00e+00 e 0 402 327 403 0 2063 117.900 0.444 7.764 1 U 4.260e+03 0.00e+00 e 0 402 1098 403 0 2069 105.763 3.520 8.223 1 U 1.800e+04 0.00e+00 e 0 412 416 413 0 2070 105.763 3.881 8.223 1 U 4.913e+03 0.00e+00 e 0 412 379 413 0 2071 105.763 3.125 8.223 1 U 4.020e+03 0.00e+00 e 0 412 0 413 0 2072 121.739 3.523 8.048 1 U 3.692e+04 0.00e+00 e 0 419 416 420 0 2073 105.763 0.839 8.223 1 U 1.440e+03 0.00e+00 e 0 412 39 413 0 2079 117.000 6.858 7.803 1 U 3.700e+04 0.00e+00 e 0 429 437 430 0 2081 117.000 7.091 7.803 1 U 5.210e+03 0.00e+00 e 0 429 438 430 0 2082 120.728 1.625 8.838 1 U 3.980e+03 0.00e+00 e 0 452 35 453 0 2083 120.728 1.216 8.838 1 U 6.957e+03 0.00e+00 e 0 452 23 453 0 2084 120.728 0.270 8.838 1 U 2.740e+03 0.00e+00 e 0 452 57 453 0 2085 120.728 4.779 8.838 1 U 1.580e+04 0.00e+00 e 0 452 54 453 0 2086 120.728 6.990 8.838 1 U 4.180e+03 0.00e+00 e 0 452 460 453 0 2087 120.728 6.858 8.838 1 U 4.860e+03 0.00e+00 e 0 452 437 453 0 2088 119.931 0.391 8.651 1 U 2.480e+03 0.00e+00 e 0 475 491 476 0 2089 126.827 0.828 8.227 1 U 2.410e+03 0.00e+00 e 0 485 0 486 0 2090 126.827 0.286 8.227 1 U 7.190e+03 0.00e+00 e 0 485 57 486 0 2093 126.827 1.744 8.227 1 U 2.830e+03 0.00e+00 e 0 485 70 486 0 2095 126.827 8.006 8.227 1 U 5.800e+03 0.00e+00 e 0 485 0 486 0 2096 126.827 9.005 8.227 1 U 4.420e+03 0.00e+00 e 0 485 65 486 0 2098 126.304 6.914 8.767 1 U 1.870e+04 0.00e+00 e 0 503 511 504 0 2099 126.304 9.014 8.767 1 U 3.600e+03 0.00e+00 e 0 503 0 504 0 2100 126.304 8.511 8.767 1 U 4.200e+02 0.00e+00 e 0 503 110 504 0 2101 126.304 8.227 8.767 1 U 1.830e+03 0.00e+00 e 0 503 486 504 0 2102 115.714 2.279 8.092 1 U 1.590e+04 0.00e+00 e 0 547 552 548 0 2103 115.714 2.357 8.092 1 U 2.490e+04 0.00e+00 e 0 547 553 548 0 2104 115.714 2.767 8.092 1 U 2.700e+03 0.00e+00 e 0 547 508 548 0 2105 115.714 2.992 8.092 1 U 8.030e+03 0.00e+00 e 0 547 509 548 0 2106 116.609 4.049 9.007 1 U 6.040e+03 0.00e+00 e 0 558 550 559 0 2107 120.986 2.025 7.708 1 U 1.815e+03 0.00e+00 e 0 569 606 570 0 2108 115.714 4.776 8.092 1 U 2.500e+03 0.00e+00 e 0 547 506 548 0 2109 115.714 5.075 8.092 1 U 2.850e+03 0.00e+00 e 0 547 130 548 0 2110 120.986 4.060 7.708 1 U 3.976e+03 0.00e+00 e 0 569 550 570 0 2111 128.315 0.817 8.772 1 U 3.830e+03 0.00e+00 e 0 580 0 581 0 2114 128.315 8.317 8.772 1 U 4.580e+03 0.00e+00 e 0 580 601 581 0 2117 120.708 8.772 8.317 1 U 4.220e+03 0.00e+00 e 0 600 581 601 0 2120 120.733 9.140 8.112 1 U 6.980e+03 0.00e+00 e 0 590 623 591 0 2133 121.243 3.969 9.140 1 U 8.108e+03 0.00e+00 e 0 622 583 623 0 2134 121.243 8.112 9.140 1 U 4.570e+03 0.00e+00 e 0 622 591 623 0 2135 114.171 8.440 7.870 1 U 1.393e+03 0.00e+00 e 0 637 658 638 0 2136 114.171 1.315 7.870 1 U 4.470e+02 0.00e+00 e 0 637 584 638 0 2137 114.171 0.719 7.870 1 U 2.831e+03 0.00e+00 e 0 637 651 638 0 2140 120.135 1.316 7.317 1 U 1.730e+03 0.00e+00 e 0 647 594 648 0 2141 120.135 2.009 7.317 1 U 3.520e+03 0.00e+00 e 0 647 628 648 0 2142 120.135 4.115 7.317 1 U 2.510e+04 0.00e+00 e 0 647 603 648 0 2144 120.135 6.436 7.317 1 U 5.890e+03 0.00e+00 e 0 647 665 648 0 2145 111.528 6.436 8.440 1 U 9.800e+03 0.00e+00 e 0 657 665 658 0 2149 111.528 7.870 8.440 1 U 1.820e+03 0.00e+00 e 0 657 638 658 0 2152 117.074 7.024 8.297 1 U 4.375e+03 0.00e+00 e 0 687 736 688 0 2155 117.074 4.772 8.297 1 U 2.450e+03 0.00e+00 e 0 687 0 688 0 2156 117.074 1.312 8.297 1 U 1.803e+03 0.00e+00 e 0 687 718 688 0 2157 117.074 1.146 8.297 1 U 2.819e+03 0.00e+00 e 0 687 714 688 0 2158 117.193 3.834 7.665 1 U 1.540e+03 0.00e+00 e 0 709 738 710 0 2161 108.998 7.282 7.024 1 U 4.470e+03 0.00e+00 e 0 735 0 736 0 2162 108.998 8.297 7.024 1 U 3.151e+03 0.00e+00 e 0 735 688 736 0 2163 108.998 4.362 7.024 1 U 1.117e+03 0.00e+00 e 0 735 660 736 0 2164 119.958 0.589 7.699 1 U 4.740e+03 0.00e+00 e 0 769 75 770 0 2165 128.418 7.016 8.847 1 U 2.320e+03 0.00e+00 e 0 787 1010 788 0 2166 124.587 0.569 9.420 1 U 5.300e+02 0.00e+00 e 0 809 75 810 0 2167 124.587 4.877 9.420 1 U 9.080e+03 0.00e+00 e 0 809 67 810 0 2168 124.587 3.608 9.420 1 U 3.650e+03 0.00e+00 e 0 809 56 810 0 2169 128.828 8.282 9.005 1 U 6.998e+03 0.00e+00 e 0 835 888 836 0 2170 128.828 6.521 9.005 1 U 9.200e+03 0.00e+00 e 0 835 1167 836 0 2171 128.828 6.687 9.005 1 U 3.330e+03 0.00e+00 e 0 835 1166 836 0 2173 113.914 1.524 7.564 1 U 4.060e+03 0.00e+00 e 0 862 0 863 0 2176 108.844 8.979 8.273 1 U 2.240e+03 0.00e+00 e 0 880 836 881 0 2177 108.844 1.531 8.273 1 U 5.030e+03 0.00e+00 e 0 880 897 881 0 2178 121.501 2.029 8.282 1 U 1.600e+03 0.00e+00 e 0 887 867 888 0 2179 121.501 2.354 8.282 1 U 1.900e+03 0.00e+00 e 0 887 871 888 0 2180 121.501 7.564 8.282 1 U 4.630e+03 0.00e+00 e 0 887 863 888 0 2181 121.501 9.005 8.282 1 U 4.373e+03 0.00e+00 e 0 887 836 888 0 2183 127.480 0.703 8.829 1 U 3.900e+03 0.00e+00 e 0 928 775 929 0 2185 127.480 6.682 8.829 1 U 6.600e+03 0.00e+00 e 0 928 1166 929 0 2189 121.050 0.833 7.879 1 U 4.690e+03 0.00e+00 e 0 961 776 962 0 2190 121.050 7.009 7.879 1 U 1.360e+03 0.00e+00 e 0 961 975 962 0 2191 121.050 6.583 7.879 1 U 9.470e+02 0.00e+00 e 0 961 1009 962 0 2192 118.225 8.442 7.045 1 U 4.220e+03 0.00e+00 e 0 1024 1088 1025 0 2195 118.225 7.849 7.045 1 U 1.196e+04 0.00e+00 e 0 1024 1062 1025 0 2197 120.665 3.542 9.061 1 U 3.690e+04 0.00e+00 e 0 1035 1058 1036 0 2198 118.225 4.001 7.045 1 U 6.000e+02 0.00e+00 e 0 1024 1064 1025 0 2199 118.225 3.028 7.045 1 U 5.410e+03 0.00e+00 e 0 1024 1074 1025 0 2200 118.225 3.142 7.045 1 U 2.180e+03 0.00e+00 e 0 1024 1075 1025 0 2201 118.225 3.533 7.045 1 U 2.260e+03 0.00e+00 e 0 1024 1057 1025 0 2202 118.225 1.908 7.045 1 U 1.297e+04 0.00e+00 e 0 1024 1067 1025 0 2203 118.225 1.706 7.045 1 U 7.953e+03 0.00e+00 e 0 1024 1066 1025 0 2204 118.225 1.582 7.045 1 U 3.400e+03 0.00e+00 e 0 1024 1071 1025 0 2205 118.225 1.408 7.045 1 U 1.060e+04 0.00e+00 e 0 1024 0 1025 0 2206 118.225 -0.667 7.045 1 U 3.720e+03 0.00e+00 e 0 1024 938 1025 0 2207 120.665 1.993 9.061 1 U 4.100e+03 0.00e+00 e 0 1035 1055 1036 0 2208 120.665 1.737 9.061 1 U 4.260e+03 0.00e+00 e 0 1035 1054 1036 0 2209 119.287 7.045 7.849 1 U 3.185e+03 0.00e+00 e 0 1061 1025 1062 0 2210 119.287 8.735 7.849 1 U 3.080e+03 0.00e+00 e 0 1061 1110 1062 0 2212 121.629 7.045 8.450 1 U 5.640e+03 0.00e+00 e 0 1087 1025 1088 0 2214 121.629 6.557 8.450 1 U 1.410e+03 0.00e+00 e 0 1087 1009 1088 0 2215 121.629 4.170 8.450 1 U 5.716e+03 0.00e+00 e 0 1087 1038 1088 0 2216 121.629 3.822 8.450 1 U 2.340e+03 0.00e+00 e 0 1087 1112 1088 0 2217 121.629 2.556 8.450 1 U 4.320e+03 0.00e+00 e 0 1087 1006 1088 0 2218 119.893 4.014 8.737 1 U 3.790e+03 0.00e+00 e 0 1109 1064 1110 0 2219 119.893 4.135 8.737 1 U 1.170e+04 0.00e+00 e 0 1109 1048 1110 0 2221 119.572 8.432 7.742 1 U 4.980e+03 0.00e+00 e 0 1135 1088 1136 0 2223 120.729 7.126 8.033 1 U 4.758e+03 0.00e+00 e 0 1145 1160 1146 0 2224 120.729 3.708 8.033 1 U 9.400e+03 0.00e+00 e 0 1145 1090 1146 0 2225 120.729 1.895 8.033 1 U 5.530e+03 0.00e+00 e 0 1145 0 1146 0 2226 120.729 -0.647 8.033 1 U 7.310e+03 0.00e+00 e 0 1145 938 1146 0 2227 120.729 0.111 8.033 1 U 1.600e+03 0.00e+00 e 0 1145 939 1146 0 2228 120.729 0.446 8.033 1 U 5.700e+02 0.00e+00 e 0 1145 1098 1146 0 2229 121.501 0.449 8.817 1 U 1.580e+03 0.00e+00 e 0 1169 1098 1170 0 2231 121.501 3.707 8.817 1 U 2.600e+03 0.00e+00 e 0 1169 1090 1170 0 2232 121.501 3.821 8.817 1 U 3.200e+03 0.00e+00 e 0 1169 1112 1170 0 2233 121.501 7.113 8.817 1 U 1.450e+04 0.00e+00 e 0 1169 1160 1170 0 2238 122.979 8.142 7.018 1 U 5.570e+03 0.00e+00 e 0 1212 1192 1213 0 2240 122.979 4.257 7.018 1 U 1.050e+04 0.00e+00 e 0 1212 1194 1213 0 2241 122.979 3.513 7.018 1 U 7.547e+03 0.00e+00 e 0 1212 1172 1213 0 2242 122.979 3.320 7.018 1 U 9.000e+02 0.00e+00 e 0 1212 1234 1213 0 2244 120.600 3.484 7.116 1 U 1.590e+03 0.00e+00 e 0 1202 1172 1203 0 2247 120.858 4.418 8.225 1 U 4.570e+02 0.00e+00 e 0 1265 1241 1266 0 2251 124.950 -1.138 8.084 1 U 4.490e+03 0.00e+00 e 0 1255 0 1256 0 2252 120.858 2.029 8.225 1 U 1.960e+03 0.00e+00 e 0 1265 1297 1266 0 2271 121.051 1.185 8.142 1 U 9.000e+00 0.00e+00 e 0 1287 1259 1288 0 2284 118.028 6.983 8.232 1 U 2.880e+03 0.00e+00 e 0 1238 1252 1239 0 2285 118.028 1.181 8.232 1 U 3.580e+03 0.00e+00 e 0 1238 1259 1239 0 2287 124.960 3.514 7.836 1 U 4.560e+03 0.00e+00 e 0 263 227 264 0 2289 120.074 3.917 7.443 1 U 9.036e+03 0.00e+00 e 0 291 248 292 0 2290 120.858 8.258 7.394 1 U 2.960e+03 0.00e+00 e 0 338 367 339 0 2292 120.858 3.203 7.394 1 U 1.450e+03 0.00e+00 e 0 338 276 339 0 2293 105.763 2.922 8.223 1 U 1.960e+03 0.00e+00 e 0 412 0 413 0 2294 117.900 0.834 7.764 1 U 4.780e+03 0.00e+00 e 0 402 0 403 0 2297 119.931 7.000 8.651 1 U 3.250e+03 0.00e+00 e 0 475 460 476 0 2299 115.650 0.708 8.567 1 U 3.240e+03 0.00e+00 e 0 526 0 527 0 2300 115.650 5.078 8.567 1 U 4.720e+03 0.00e+00 e 0 526 130 527 0 2301 120.986 8.094 7.708 1 U 3.790e+02 0.00e+00 e 0 569 548 570 0 2303 121.243 0.590 9.140 1 U 2.300e+03 0.00e+00 e 0 622 541 623 0 2304 114.171 8.317 7.870 1 U 4.770e+03 0.00e+00 e 0 637 601 638 0 2306 117.193 8.444 7.665 1 U 1.310e+03 0.00e+00 e 0 709 681 710 0 2307 128.418 0.589 8.847 1 U 3.400e+03 0.00e+00 e 0 787 75 788 0 2308 128.828 5.726 9.005 1 U 5.090e+03 0.00e+00 e 0 835 916 836 0 2309 113.914 3.363 7.564 1 U 2.532e+03 0.00e+00 e 0 862 884 863 0 2310 113.914 3.010 7.564 1 U 5.900e+03 0.00e+00 e 0 862 841 863 0 2311 113.914 4.131 7.564 1 U 1.045e+03 0.00e+00 e 0 862 883 863 0 2312 119.122 3.804 8.142 1 U 3.280e+03 0.00e+00 e 0 1191 1112 1192 0 2314 120.858 0.899 7.394 1 U 6.550e+02 0.00e+00 e 0 338 279 339 0 2315 119.061 1.408 8.256 1 U 4.741e+03 0.00e+00 e 0 366 1039 367 0 2316 119.061 1.718 8.256 1 U 8.230e+02 0.00e+00 e 0 366 0 367 0 2318 117.900 9.959 7.764 1 U 1.580e+03 0.00e+00 e 0 402 0 403 0 2320 105.763 1.739 8.223 1 U 2.540e+03 0.00e+00 e 0 412 0 413 0 2321 105.763 1.978 8.223 1 U 2.880e+03 0.00e+00 e 0 412 0 413 0 2323 126.827 8.485 8.227 1 U 5.311e+03 0.00e+00 e 0 485 110 486 0 2334 111.484 2.195 8.444 1 U 1.270e+03 0.00e+00 e 0 680 631 681 0 2341 119.958 1.869 7.699 1 U 8.300e+02 0.00e+00 e 0 769 0 770 0 2342 119.958 2.331 7.699 1 U 3.050e+03 0.00e+00 e 0 769 92 770 0 2343 119.958 1.996 7.699 1 U 2.000e+03 0.00e+00 e 0 769 91 770 0 2344 119.958 3.823 7.699 1 U 5.140e+03 0.00e+00 e 0 769 738 770 0 2346 119.958 9.336 7.699 1 U 2.458e+03 0.00e+00 e 0 769 87 770 0 2347 128.418 6.700 8.847 1 U 2.370e+03 0.00e+00 e 0 787 1018 788 0 2348 128.418 0.179 8.847 1 U 4.710e+03 0.00e+00 e 0 787 934 788 0 2349 124.587 8.797 9.420 1 U 1.113e+04 0.00e+00 e 0 809 52 810 0 2350 117.354 9.420 8.797 1 U 7.595e+03 0.00e+00 e 0 51 810 52 0 2351 117.354 5.056 8.797 1 U 4.782e+03 0.00e+00 e 0 51 838 52 0 2352 128.828 0.849 9.005 1 U 5.210e+03 0.00e+00 e 0 835 0 836 0 2355 117.354 1.609 8.797 1 U 8.350e+03 0.00e+00 e 0 51 35 52 0 2356 117.354 1.336 8.797 1 U 2.330e+04 0.00e+00 e 0 51 34 52 0 2357 117.354 4.621 8.797 1 U 7.790e+04 0.00e+00 e 0 51 32 52 0 2358 120.410 4.618 8.113 1 U 1.110e+04 0.00e+00 e 0 29 32 30 0 2360 120.410 5.087 8.113 1 U 2.210e+04 0.00e+00 e 0 29 432 30 0 2363 120.410 1.604 8.113 1 U 3.950e+04 0.00e+00 e 0 29 35 30 0 2364 120.410 2.427 8.113 1 U 2.070e+03 0.00e+00 e 0 29 434 30 0 2365 120.410 2.634 8.113 1 U 3.450e+03 0.00e+00 e 0 29 435 30 0 2367 128.433 2.745 9.005 1 U 1.420e+03 0.00e+00 e 0 64 457 65 0 2368 128.433 8.227 9.005 1 U 4.653e+03 0.00e+00 e 0 64 486 65 0 2371 126.827 1.373 8.227 1 U 1.420e+03 0.00e+00 e 0 485 114 486 0 2373 114.171 3.471 7.870 1 U 5.800e+02 0.00e+00 e 0 637 684 638 0 2374 128.701 6.206 9.336 1 U 6.380e+03 0.00e+00 e 0 86 94 87 0 2377 118.163 4.679 8.511 1 U 3.080e+04 0.00e+00 e 0 109 112 110 0 2378 118.163 1.362 8.511 1 U 1.820e+04 0.00e+00 e 0 109 114 110 0 2379 122.679 3.168 8.565 1 U 5.290e+03 0.00e+00 e 0 224 230 225 0 2380 122.679 3.514 8.565 1 U 2.890e+03 0.00e+00 e 0 224 227 225 0 2381 122.679 2.897 8.565 1 U 4.430e+03 0.00e+00 e 0 224 229 225 0 2382 124.281 -0.155 8.670 1 U 3.240e+02 0.00e+00 e 0 202 207 203 0 2383 124.281 1.172 8.670 1 U 6.360e+03 0.00e+00 e 0 202 208 203 0 2384 128.701 7.699 9.336 1 U 2.889e+03 0.00e+00 e 0 86 770 87 0 2385 118.163 8.767 8.511 1 U 1.674e+03 0.00e+00 e 0 109 504 110 0 2387 118.163 8.227 8.511 1 U 9.024e+03 0.00e+00 e 0 109 486 110 0 2388 118.163 6.206 8.511 1 U 1.580e+04 0.00e+00 e 0 109 94 110 0 2389 118.163 1.087 8.511 1 U 2.503e+03 0.00e+00 e 0 109 490 110 0 2391 118.163 0.923 8.511 1 U 6.900e+02 0.00e+00 e 0 109 73 110 0 2392 118.163 0.696 8.511 1 U 2.873e+03 0.00e+00 e 0 109 492 110 0 2393 118.163 0.589 8.511 1 U 5.400e+02 0.00e+00 e 0 109 75 110 0 2394 118.163 0.389 8.511 1 U 1.773e+03 0.00e+00 e 0 109 491 110 0 2401 128.433 6.852 9.005 1 U 3.560e+03 0.00e+00 e 0 64 437 65 0 2402 128.433 7.076 9.005 1 U 1.220e+03 0.00e+00 e 0 64 438 65 0 2408 128.701 5.143 9.336 1 U 2.440e+03 0.00e+00 e 0 86 790 87 0 2409 128.701 0.826 9.336 1 U 1.280e+03 0.00e+00 e 0 86 776 87 0 2411 128.701 0.293 9.336 1 U 1.740e+03 0.00e+00 e 0 86 57 87 0 2412 128.701 1.525 9.336 1 U 1.940e+03 0.00e+00 e 0 86 774 87 0 2413 119.958 2.656 8.311 1 U 7.530e+03 0.00e+00 e 0 164 0 165 0 2420 112.192 7.601 7.601 1 U 1.920e+06 0.00e+00 e 0 361 362 362 0 2421 112.218 6.798 6.798 1 U 1.400e+06 0.00e+00 e 0 361 363 363 0 2422 110.942 7.042 7.042 1 U 4.040e+05 0.00e+00 e 0 258 259 259 0 2423 110.891 6.865 6.865 1 U 1.500e+06 0.00e+00 e 0 258 260 260 0 2424 108.672 6.467 6.467 1 U 5.160e+05 0.00e+00 e 0 0 0 0 0 2425 130.144 9.861 9.861 1 U 8.500e+04 0.00e+00 e 0 1158 1163 1163 0 2426 131.828 10.253 10.253 1 U 8.350e+05 0.00e+00 e 0 974 979 979 0 2427 131.828 7.197 10.253 1 U 2.660e+04 0.00e+00 e 0 974 982 979 0 2428 131.828 6.997 10.253 1 U 8.650e+04 0.00e+00 e 0 974 975 979 0 2429 130.144 7.103 9.861 1 U 4.710e+04 0.00e+00 e 0 1158 1159 1163 0 2430 130.144 6.687 9.861 1 U 1.120e+04 0.00e+00 e 0 1158 1166 1163 0 2441 110.942 6.865 7.042 1 U 2.400e+05 0.00e+00 e 0 258 260 259 0 2443 110.891 7.042 6.865 1 U 3.330e+05 0.00e+00 e 0 258 259 260 0 2445 112.192 6.804 7.601 1 U 3.800e+05 0.00e+00 e 0 361 363 362 0 2446 112.218 7.594 6.798 1 U 5.600e+05 0.00e+00 e 0 361 362 363 0 2447 119.931 1.932 8.651 1 U 2.870e+03 0.00e+00 e 0 475 0 476 0 2448 120.986 0.838 7.708 1 U 4.500e+02 0.00e+00 e 0 569 611 570 0 2453 119.122 6.683 8.544 1 U 4.840e+03 0.00e+00 e 0 913 1166 914 0 2460 130.144 3.071 9.861 1 U 1.820e+03 0.00e+00 e 0 1158 1150 1163 0 2461 130.144 2.896 9.861 1 U 2.690e+03 0.00e+00 e 0 1158 900 1163 0 2462 130.144 0.111 9.861 1 U 1.310e+04 0.00e+00 e 0 1158 939 1163 0 2463 130.144 1.787 9.861 1 U 1.230e+04 0.00e+00 e 0 1158 893 1163 0 2464 119.122 4.031 8.142 1 U 8.440e+03 0.00e+00 e 0 1191 1138 1192 0 2465 120.600 1.856 7.116 1 U 2.280e+03 0.00e+00 e 0 1202 1175 1203 0 2467 119.996 3.987 8.185 1 U 7.530e+03 0.00e+00 e 0 1319 1290 1320 0 2468 122.015 2.516 8.014 1 U 1.820e+04 0.00e+00 e 0 175 0 176 0 2482 131.828 2.003 10.253 1 U 7.910e+02 0.00e+00 e 0 974 250 979 0 2483 131.828 1.404 10.253 1 U 6.114e+03 0.00e+00 e 0 974 0 979 0 2484 131.828 1.128 10.253 1 U 1.563e+03 0.00e+00 e 0 974 762 979 0 2485 131.828 0.819 10.253 1 U 1.448e+04 0.00e+00 e 0 974 0 979 0 2486 131.828 0.502 10.253 1 U 3.199e+04 0.00e+00 e 0 974 213 979 0 2491 108.672 6.213 6.467 1 U 7.653e+03 0.00e+00 e 0 0 0 0 0 2492 108.672 6.699 6.467 1 U 1.662e+04 0.00e+00 e 0 0 0 0 0 2493 108.672 7.028 6.470 1 U 3.371e+04 0.00e+00 e 0 0 0 0 0 2495 110.942 3.419 7.042 1 U 2.830e+03 0.00e+00 e 0 258 205 259 0 2496 110.942 2.339 7.042 1 U 1.352e+04 0.00e+00 e 0 258 255 259 0 2497 110.942 2.199 7.042 1 U 2.788e+03 0.00e+00 e 0 258 254 259 0 2498 110.942 2.009 7.042 1 U 3.150e+02 0.00e+00 e 0 258 250 259 0 2500 110.891 3.399 6.865 1 U 1.249e+04 0.00e+00 e 0 258 0 260 0 2502 110.891 2.347 6.865 1 U 9.822e+03 0.00e+00 e 0 258 255 260 0 2503 110.891 2.207 6.865 1 U 8.836e+03 0.00e+00 e 0 258 254 260 0 2504 110.891 1.994 6.865 1 U 1.153e+03 0.00e+00 e 0 258 250 260 0 2505 110.891 0.511 6.865 1 U 2.240e+03 0.00e+00 e 0 258 213 260 0 2506 110.942 0.509 7.042 1 U 1.075e+03 0.00e+00 e 0 258 213 259 0 2507 110.942 2.085 7.042 1 U 4.020e+02 0.00e+00 e 0 258 251 259 0 2508 118.163 0.821 8.511 1 U 1.586e+04 0.00e+00 e 0 109 532 110 0 2512 118.800 8.256 7.887 1 U 1.279e+03 0.00e+00 e 0 316 367 317 0 2513 119.061 7.887 8.256 1 U 2.255e+03 0.00e+00 e 0 366 317 367 0 2515 120.733 8.112 8.112 1 U 3.087e+05 0.00e+00 e 0 590 591 591 0 2518 120.600 8.807 7.116 1 U 2.464e+03 0.00e+00 e 0 1202 1170 1203 0 2519 126.827 4.911 8.227 1 U 6.726e+04 0.00e+00 e 0 485 478 486 0 2521 120.410 1.327 8.113 1 U 1.087e+04 0.00e+00 e 0 29 34 30 0 2523 120.410 0.831 8.113 1 U 4.036e+03 0.00e+00 e 0 29 39 30 0 2524 120.708 8.112 8.317 1 U 1.476e+03 0.00e+00 e 0 600 591 601 0 2526 111.484 4.159 8.444 1 U 1.074e+05 0.00e+00 e 0 680 683 681 0 2527 118.225 6.579 7.045 1 U 7.240e+03 0.00e+00 e 0 1024 1009 1025 0 2528 120.708 4.406 8.317 1 U 0.000e+00 0.00e+00 - 0 600 0 601 0 2530 118.163 1.128 8.511 1 U 1.418e+03 0.00e+00 e 0 109 538 110 0 2531 111.528 3.782 8.440 1 U 1.456e+03 0.00e+00 e 0 657 625 658 0 2533 123.773 9.744 9.751 1 U 1.337e+05 0.00e+00 e 0 153 154 154 0 2536 123.773 5.063 9.751 1 U 2.809e+04 0.00e+00 e 0 153 130 154 0 2537 123.773 4.290 9.751 1 U 2.846e+03 0.00e+00 e 0 153 156 154 0 2539 123.773 2.297 9.751 1 U 3.114e+04 0.00e+00 e 0 153 159 154 0 2540 111.484 0.816 8.444 1 U 1.074e+04 0.00e+00 e 0 680 742 681 0 2541 111.484 0.596 8.444 1 U 7.201e+03 0.00e+00 e 0 680 541 681 0 2542 111.528 9.121 8.440 1 U 1.072e+03 0.00e+00 e 0 657 623 658 0 2543 117.193 0.825 7.665 1 U 3.454e+03 0.00e+00 e 0 709 0 710 0 2544 108.881 3.119 6.467 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 2545 108.881 1.379 6.465 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 2546 108.881 0.861 6.467 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 2547 108.881 0.365 6.462 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 2548 108.672 4.918 6.467 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 2549 127.480 5.875 8.829 1 U 4.741e+03 0.00e+00 e 0 928 812 929 0 2550 127.480 8.847 8.829 1 U 1.514e+04 0.00e+00 e 0 928 788 929 0 2551 128.418 4.874 8.847 1 U 1.754e+03 0.00e+00 e 0 787 953 788 0 2552 121.050 4.839 7.879 1 U 3.509e+03 0.00e+00 e 0 961 772 962 0 2553 119.958 4.682 7.699 1 U 5.930e+02 0.00e+00 e 0 769 112 770 0 2554 126.827 4.762 8.227 1 U 1.429e+04 0.00e+00 e 0 485 89 486 0 2555 118.163 4.783 8.511 1 U 1.517e+03 0.00e+00 e 0 109 506 110 0 2556 118.163 8.569 8.511 1 U 3.104e+03 0.00e+00 e 0 109 527 110 0 2557 120.708 2.939 8.317 1 U 1.650e+04 0.00e+00 e 0 600 575 601 0 2558 120.708 2.829 8.317 1 U 0.000e+00 0.00e+00 - 0 600 0 601 0 2559 115.714 4.052 8.092 1 U 1.793e+04 0.00e+00 e 0 547 550 548 0 2560 121.629 4.134 8.450 1 U 4.771e+03 0.00e+00 e 0 1087 1048 1088 0 2561 117.193 4.358 7.665 1 U 1.895e+04 0.00e+00 e 0 709 660 710 0 2562 120.022 2.005 7.393 1 U 1.499e+04 0.00e+00 e 0 245 250 246 0 2568 112.192 2.465 7.601 1 U 7.310e+03 0.00e+00 e 0 361 358 362 0 2569 112.192 2.318 7.601 1 U 5.219e+03 0.00e+00 e 0 361 357 362 0 2570 112.218 2.461 6.798 1 U 0.000e+00 0.00e+00 e 0 361 358 363 0 2571 112.218 2.314 6.798 1 U 4.381e+03 0.00e+00 e 0 361 357 363 0 2572 119.931 7.048 8.651 1 U 0.000e+00 0.00e+00 - 0 475 0 476 0 2573 120.733 4.707 8.112 1 U 1.390e+04 0.00e+00 e 0 590 572 591 0 2574 121.243 1.334 9.140 1 U 0.000e+00 0.00e+00 - 0 622 0 623 0 2575 114.171 4.072 7.870 1 U 1.459e+04 0.00e+00 e 0 637 593 638 0 2576 83.200 8.189 8.185 1 U 0.000e+00 0.00e+00 - 0 725 726 726 0 2577 83.900 7.565 7.565 1 U 0.000e+00 0.00e+00 - 0 143 144 144 0 2578 83.700 7.325 7.325 1 U 0.000e+00 0.00e+00 - 0 903 904 904 0 2579 85.200 7.252 7.252 1 U 0.000e+00 0.00e+00 - 0 1077 1078 1078 0 2580 85.900 7.316 7.316 1 U -1.532e+05 0.00e+00 e 0 825 826 826 0 2581 85.000 7.060 7.060 1 U 0.000e+00 0.00e+00 - 0 392 393 393 0 2582 84.400 6.953 6.953 1 U 0.000e+00 0.00e+00 - 0 1125 1126 1126 0 2583 113.914 1.836 7.564 1 U 1.807e+03 0.00e+00 e 0 862 874 863 0 2584 108.844 1.957 8.273 1 U 6.100e+02 0.00e+00 e 0 880 855 881 0 2585 123.773 1.735 9.751 1 U 1.963e+03 0.00e+00 e 0 153 133 154 0 2586 121.501 1.996 8.282 1 U 0.000e+00 0.00e+00 - 0 887 0 888 0 2587 119.122 1.187 8.142 1 U 0.000e+00 0.00e+00 - 0 1191 0 1192 0 2589 122.915 3.913 8.064 1 U 1.258e+03 0.00e+00 e 0 306 248 307 0 2590 112.192 2.240 7.601 1 U 0.000e+00 0.00e+00 - 0 361 0 362 0 2591 112.192 2.159 7.601 1 U 0.000e+00 0.00e+00 - 0 361 0 362 0 2592 117.193 2.934 7.665 1 U 4.678e+03 0.00e+00 e 0 709 663 710 0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 12.062 -1.872 2.836 2 HA MET 1 HA MET 1 12.984 -1.070 0.860 3 1HB MET 1 1HB MET 1 12.356 -4.002 1.084 4 2HB MET 1 2HB MET 1 12.949 -3.489 -0.484 5 1HG MET 1 1HG MET 1 14.764 -2.195 1.065 6 2HG MET 1 2HG MET 1 14.361 -3.490 2.174 7 1HE MET 1 1HE MET 1 17.262 -4.287 1.660 8 2HE MET 1 2HE MET 1 17.743 -4.033 -0.034 9 3HE MET 1 3HE MET 1 16.992 -2.707 0.886 10 H ALA 2 H ALA 2 10.017 -3.051 0.185 11 HA ALA 2 HA ALA 2 9.817 -1.813 -2.435 12 1HB ALA 2 1HB ALA 2 9.480 -4.263 -2.121 13 2HB ALA 2 2HB ALA 2 8.087 -3.914 -1.068 14 3HB ALA 2 3HB ALA 2 8.040 -3.456 -2.788 15 H LEU 3 H LEU 3 6.715 -2.385 -1.857 16 HA LEU 3 HA LEU 3 6.151 0.366 -1.337 17 1HB LEU 3 1HB LEU 3 4.420 -2.060 -1.807 18 2HB LEU 3 2HB LEU 3 3.774 -0.456 -1.524 19 HG LEU 3 HG LEU 3 5.730 -0.990 -3.760 20 1HD1 LEU 3 1HD1 LEU 3 4.248 -2.171 -4.907 21 2HD1 LEU 3 2HD1 LEU 3 3.110 -2.096 -3.539 22 3HD1 LEU 3 3HD1 LEU 3 3.082 -0.831 -4.791 23 1HD2 LEU 3 1HD2 LEU 3 3.966 1.257 -2.922 24 2HD2 LEU 3 2HD2 LEU 3 5.591 1.275 -3.648 25 3HD2 LEU 3 3HD2 LEU 3 4.164 0.969 -4.667 26 H THR 4 H THR 4 4.126 0.707 0.286 27 HA THR 4 HA THR 4 4.338 -0.882 2.675 28 HB THR 4 HB THR 4 5.220 2.047 2.753 29 HG1 THR 4 HG1 THR 4 7.344 0.876 3.088 30 1HG2 THR 4 1HG2 THR 4 4.672 -0.045 4.762 31 2HG2 THR 4 2HG2 THR 4 6.347 0.550 4.855 32 3HG2 THR 4 3HG2 THR 4 4.988 1.689 5.006 33 H LEU 5 H LEU 5 2.247 -1.220 3.085 34 HA LEU 5 HA LEU 5 0.470 1.098 2.771 35 1HB LEU 5 1HB LEU 5 -0.262 -0.443 1.219 36 2HB LEU 5 2HB LEU 5 0.121 -1.821 2.231 37 HG LEU 5 HG LEU 5 -1.793 -0.855 3.768 38 1HD1 LEU 5 1HD1 LEU 5 -2.143 0.616 1.198 39 2HD1 LEU 5 2HD1 LEU 5 -3.599 0.000 2.015 40 3HD1 LEU 5 3HD1 LEU 5 -2.503 1.113 2.869 41 1HD2 LEU 5 1HD2 LEU 5 -1.614 -2.858 1.794 42 2HD2 LEU 5 2HD2 LEU 5 -2.772 -2.743 3.141 43 3HD2 LEU 5 3HD2 LEU 5 -3.184 -2.055 1.552 44 H TYR 6 H TYR 6 0.361 2.049 4.759 45 HA TYR 6 HA TYR 6 0.618 0.582 7.158 46 1HB TYR 6 1HB TYR 6 -0.477 3.337 6.329 47 2HB TYR 6 2HB TYR 6 -0.304 2.882 8.013 48 HD1 TYR 6 HD1 TYR 6 1.972 2.503 8.980 49 HD2 TYR 6 HD2 TYR 6 1.422 4.004 5.011 50 HE1 TYR 6 HE1 TYR 6 4.383 3.307 8.942 51 HE2 TYR 6 HE2 TYR 6 3.835 4.803 4.987 52 HH TYR 6 HH TYR 6 6.052 3.918 7.518 53 H GLN 7 H GLN 7 -0.900 -0.250 8.574 54 HA GLN 7 HA GLN 7 -3.679 0.240 7.904 55 1HB GLN 7 1HB GLN 7 -4.212 -2.176 8.149 56 2HB GLN 7 2HB GLN 7 -3.136 -1.880 6.798 57 1HG GLN 7 1HG GLN 7 -1.182 -2.562 8.143 58 2HG GLN 7 2HG GLN 7 -2.182 -2.731 9.572 59 1HE2 GLN 7 1HE2 GLN 7 -4.245 -4.112 9.107 60 2HE2 GLN 7 2HE2 GLN 7 -3.962 -5.645 8.352 61 H ARG 8 H ARG 8 -5.157 -0.647 9.756 62 HA ARG 8 HA ARG 8 -3.703 -0.582 12.262 63 1HB ARG 8 1HB ARG 8 -5.241 1.030 13.238 64 2HB ARG 8 2HB ARG 8 -4.662 1.716 11.733 65 1HG ARG 8 1HG ARG 8 -6.725 0.977 10.568 66 2HG ARG 8 2HG ARG 8 -7.297 0.197 12.029 67 1HD ARG 8 1HD ARG 8 -6.623 2.914 12.717 68 2HD ARG 8 2HD ARG 8 -7.577 2.969 11.248 69 HE ARG 8 HE ARG 8 -8.480 2.041 13.895 70 1HH1 ARG 8 2HH2 ARG 8 -9.140 2.116 10.439 71 2HH1 ARG 8 1HH2 ARG 8 -10.832 1.794 10.626 72 1HH2 ARG 8 2HH1 ARG 8 -10.711 1.617 14.142 73 2HH2 ARG 8 1HH1 ARG 8 -11.732 1.509 12.747 74 H ASP 9 H ASP 9 -5.462 -1.096 14.147 75 HA ASP 9 HA ASP 9 -6.227 -3.621 13.918 76 1HB ASP 9 1HB ASP 9 -7.073 -1.309 15.567 77 2HB ASP 9 2HB ASP 9 -8.301 -2.554 15.465 78 H ASP 10 H ASP 10 -8.474 -4.641 13.696 79 HA ASP 10 HA ASP 10 -10.329 -5.014 12.636 80 1HB ASP 10 1HB ASP 10 -11.062 -2.843 13.724 81 2HB ASP 10 2HB ASP 10 -10.565 -1.989 12.277 82 H CYS 11 H CYS 11 -10.987 -5.419 10.417 83 HA CYS 11 HA CYS 11 -9.257 -4.128 8.433 84 1HB CYS 11 1HB CYS 11 -10.019 -6.985 8.826 85 2HB CYS 11 2HB CYS 11 -9.941 -6.409 7.173 86 HG CYS 11 HG CYS 11 -7.557 -5.608 7.125 87 H HIS 12 H HIS 12 -10.385 -2.859 6.998 88 HA HIS 12 HA HIS 12 -12.772 -3.668 5.820 89 1HB HIS 12 1HB HIS 12 -13.796 -3.266 7.980 90 2HB HIS 12 2HB HIS 12 -13.090 -1.664 8.068 91 HD1 HIS 12 HD1 HIS 12 -14.423 0.242 7.078 92 HD2 HIS 12 HD2 HIS 12 -15.822 -3.518 5.852 93 HE1 HIS 12 HE1 HIS 12 -16.591 0.668 5.802 94 H LEU 13 H LEU 13 -11.385 -0.547 7.084 95 HA LEU 13 HA LEU 13 -11.775 0.757 4.611 96 1HB LEU 13 1HB LEU 13 -11.700 1.814 6.867 97 2HB LEU 13 2HB LEU 13 -9.973 1.520 6.911 98 HG LEU 13 HG LEU 13 -9.842 2.894 4.743 99 1HD1 LEU 13 1HD1 LEU 13 -12.545 2.750 4.746 100 2HD1 LEU 13 2HD1 LEU 13 -12.305 4.327 5.537 101 3HD1 LEU 13 3HD1 LEU 13 -11.611 4.024 3.926 102 1HD2 LEU 13 1HD2 LEU 13 -9.091 3.635 7.001 103 2HD2 LEU 13 2HD2 LEU 13 -9.645 4.959 5.949 104 3HD2 LEU 13 3HD2 LEU 13 -10.698 4.358 7.252 105 H CYS 14 H CYS 14 -8.961 -0.843 6.204 106 HA CYS 14 HA CYS 14 -7.208 -0.158 4.080 107 1HB CYS 14 1HB CYS 14 -5.607 -1.635 5.214 108 2HB CYS 14 2HB CYS 14 -6.347 -0.508 6.333 109 HG CYS 14 HG CYS 14 -7.112 -2.122 7.875 110 H ASP 15 H ASP 15 -9.543 -2.706 4.828 111 HA ASP 15 HA ASP 15 -8.560 -4.770 3.353 112 1HB ASP 15 1HB ASP 15 -10.781 -4.410 4.813 113 2HB ASP 15 2HB ASP 15 -11.510 -4.113 3.247 114 H GLN 16 H GLN 16 -10.859 -2.114 2.371 115 HA GLN 16 HA GLN 16 -11.128 -2.889 -0.250 116 1HB GLN 16 1HB GLN 16 -11.576 -0.394 1.325 117 2HB GLN 16 2HB GLN 16 -11.437 -0.171 -0.407 118 1HG GLN 16 1HG GLN 16 -13.113 -2.274 -0.467 119 2HG GLN 16 2HG GLN 16 -13.507 -1.720 1.148 120 1HE2 GLN 16 1HE2 GLN 16 -14.894 -0.124 1.400 121 2HE2 GLN 16 2HE2 GLN 16 -15.493 0.932 0.164 122 H ALA 17 H ALA 17 -8.573 -1.024 1.401 123 HA ALA 17 HA ALA 17 -7.373 0.060 -0.884 124 1HB ALA 17 1HB ALA 17 -5.915 -0.768 1.640 125 2HB ALA 17 2HB ALA 17 -5.608 0.631 0.584 126 3HB ALA 17 3HB ALA 17 -7.050 0.602 1.625 127 H VAL 18 H VAL 18 -6.740 -2.989 0.979 128 HA VAL 18 HA VAL 18 -4.636 -3.873 -0.598 129 HB VAL 18 HB VAL 18 -6.718 -5.353 1.016 130 1HG1 VAL 18 1HG1 VAL 18 -4.424 -6.926 0.938 131 2HG1 VAL 18 2HG1 VAL 18 -5.947 -7.230 0.069 132 3HG1 VAL 18 3HG1 VAL 18 -4.618 -6.369 -0.741 133 1HG2 VAL 18 1HG2 VAL 18 -5.535 -4.798 2.828 134 2HG2 VAL 18 2HG2 VAL 18 -4.010 -5.311 2.067 135 3HG2 VAL 18 3HG2 VAL 18 -4.626 -3.662 1.803 136 H GLU 19 H GLU 19 -8.183 -4.043 -1.033 137 HA GLU 19 HA GLU 19 -8.194 -5.944 -3.029 138 1HB GLU 19 1HB GLU 19 -10.081 -4.385 -1.696 139 2HB GLU 19 2HB GLU 19 -10.207 -3.802 -3.344 140 1HG GLU 19 1HG GLU 19 -10.009 -6.746 -3.211 141 2HG GLU 19 2HG GLU 19 -11.390 -6.132 -2.322 142 H ALA 20 H ALA 20 -7.963 -2.332 -3.200 143 HA ALA 20 HA ALA 20 -7.928 -2.186 -5.993 144 1HB ALA 20 1HB ALA 20 -6.458 -0.015 -5.050 145 2HB ALA 20 2HB ALA 20 -8.225 -0.076 -5.248 146 3HB ALA 20 3HB ALA 20 -7.493 -0.447 -3.669 147 H LEU 21 H LEU 21 -5.378 -2.718 -3.524 148 HA LEU 21 HA LEU 21 -3.204 -2.374 -5.256 149 1HB LEU 21 1HB LEU 21 -3.714 -3.270 -2.540 150 2HB LEU 21 2HB LEU 21 -2.441 -4.204 -3.300 151 HG LEU 21 HG LEU 21 -2.311 -1.225 -3.527 152 1HD1 LEU 21 1HD1 LEU 21 -2.146 -2.746 -0.975 153 2HD1 LEU 21 2HD1 LEU 21 -0.911 -1.498 -1.267 154 3HD1 LEU 21 3HD1 LEU 21 -2.638 -1.064 -1.287 155 1HD2 LEU 21 1HD2 LEU 21 -0.414 -1.871 -4.502 156 2HD2 LEU 21 2HD2 LEU 21 0.177 -2.235 -2.863 157 3HD2 LEU 21 3HD2 LEU 21 -0.543 -3.524 -3.856 158 H ALA 22 H ALA 22 -4.883 -5.388 -4.111 159 HA ALA 22 HA ALA 22 -3.424 -7.151 -5.658 160 1HB ALA 22 1HB ALA 22 -4.836 -8.657 -4.727 161 2HB ALA 22 2HB ALA 22 -5.492 -7.268 -3.827 162 3HB ALA 22 3HB ALA 22 -6.281 -7.809 -5.328 163 H GLN 23 H GLN 23 -6.467 -5.339 -6.412 164 HA GLN 23 HA GLN 23 -6.879 -6.483 -8.879 165 1HB GLN 23 1HB GLN 23 -7.669 -3.864 -7.599 166 2HB GLN 23 2HB GLN 23 -8.025 -4.117 -9.296 167 1HG GLN 23 1HG GLN 23 -8.814 -6.530 -8.042 168 2HG GLN 23 2HG GLN 23 -9.332 -5.273 -6.936 169 1HE2 GLN 23 1HE2 GLN 23 -11.472 -5.964 -7.492 170 2HE2 GLN 23 2HE2 GLN 23 -12.260 -5.360 -8.912 171 H ALA 24 H ALA 24 -4.993 -3.546 -7.926 172 HA ALA 24 HA ALA 24 -4.304 -2.841 -10.566 173 1HB ALA 24 1HB ALA 24 -4.219 -1.186 -8.837 174 2HB ALA 24 2HB ALA 24 -3.157 -2.196 -7.828 175 3HB ALA 24 3HB ALA 24 -2.535 -1.478 -9.333 176 H ARG 25 H ARG 25 -3.420 -5.492 -8.589 177 HA ARG 25 HA ARG 25 -1.957 -7.069 -8.784 178 1HB ARG 25 1HB ARG 25 -1.916 -5.896 -11.545 179 2HB ARG 25 2HB ARG 25 -0.565 -6.939 -11.148 180 1HG ARG 25 1HG ARG 25 -3.062 -8.139 -10.217 181 2HG ARG 25 2HG ARG 25 -3.188 -7.733 -11.917 182 1HD ARG 25 1HD ARG 25 -0.674 -8.840 -11.883 183 2HD ARG 25 2HD ARG 25 -1.416 -9.734 -10.571 184 HE ARG 25 HE ARG 25 -1.978 -10.061 -13.378 185 1HH1 ARG 25 2HH2 ARG 25 -3.560 -10.091 -10.235 186 2HH1 ARG 25 1HH2 ARG 25 -4.827 -11.158 -10.740 187 1HH2 ARG 25 2HH1 ARG 25 -3.650 -11.469 -14.046 188 2HH2 ARG 25 1HH1 ARG 25 -4.879 -11.947 -12.922 189 H ALA 26 H ALA 26 -1.157 -4.694 -7.415 190 HA ALA 26 HA ALA 26 1.222 -3.559 -8.166 191 1HB ALA 26 1HB ALA 26 1.266 -2.723 -6.004 192 2HB ALA 26 2HB ALA 26 -0.443 -3.208 -6.128 193 3HB ALA 26 3HB ALA 26 0.721 -4.257 -5.284 194 H GLY 27 H GLY 27 0.825 -6.363 -5.876 195 1HA GLY 27 1HA GLY 27 2.239 -8.323 -6.617 196 2HA GLY 27 2HA GLY 27 3.569 -7.182 -6.605 197 H ALA 28 H ALA 28 4.817 -7.885 -4.884 198 HA ALA 28 HA ALA 28 3.453 -8.457 -2.372 199 1HB ALA 28 1HB ALA 28 6.141 -9.058 -3.587 200 2HB ALA 28 2HB ALA 28 5.971 -9.060 -1.815 201 3HB ALA 28 3HB ALA 28 4.978 -10.156 -2.805 202 H PHE 29 H PHE 29 4.212 -7.454 -0.356 203 HA PHE 29 HA PHE 29 5.936 -5.198 -0.507 204 1HB PHE 29 1HB PHE 29 4.031 -3.617 0.226 205 2HB PHE 29 2HB PHE 29 3.932 -4.137 -1.445 206 HD1 PHE 29 HD1 PHE 29 2.192 -5.673 -2.170 207 HD2 PHE 29 HD2 PHE 29 2.437 -4.427 1.879 208 HE1 PHE 29 HE1 PHE 29 -0.133 -6.528 -1.767 209 HE2 PHE 29 HE2 PHE 29 0.112 -5.282 2.283 210 HZ PHE 29 HZ PHE 29 -1.145 -6.322 0.455 211 H PHE 30 H PHE 30 5.493 -3.849 1.751 212 HA PHE 30 HA PHE 30 5.312 -5.958 3.785 213 1HB PHE 30 1HB PHE 30 6.805 -3.266 3.692 214 2HB PHE 30 2HB PHE 30 6.869 -4.379 5.044 215 HD1 PHE 30 HD1 PHE 30 7.710 -4.067 1.443 216 HD2 PHE 30 HD2 PHE 30 8.442 -6.119 5.084 217 HE1 PHE 30 HE1 PHE 30 9.672 -5.229 0.394 218 HE2 PHE 30 HE2 PHE 30 10.404 -7.281 4.036 219 HZ PHE 30 HZ PHE 30 10.996 -6.822 1.703 220 H SER 31 H SER 31 3.969 -5.660 5.558 221 HA SER 31 HA SER 31 2.298 -3.293 5.382 222 1HB SER 31 1HB SER 31 1.836 -6.101 6.020 223 2HB SER 31 2HB SER 31 1.260 -5.088 7.329 224 HG SER 31 HG SER 31 0.476 -5.046 4.554 225 H VAL 32 H VAL 32 2.037 -1.876 7.171 226 HA VAL 32 HA VAL 32 3.726 -2.485 9.494 227 HB VAL 32 HB VAL 32 3.450 0.148 8.031 228 1HG1 VAL 32 1HG1 VAL 32 4.378 1.235 9.773 229 2HG1 VAL 32 2HG1 VAL 32 3.802 -0.150 10.732 230 3HG1 VAL 32 3HG1 VAL 32 5.485 -0.107 10.151 231 1HG2 VAL 32 1HG2 VAL 32 5.045 -1.930 7.317 232 2HG2 VAL 32 2HG2 VAL 32 5.458 -0.219 7.052 233 3HG2 VAL 32 3HG2 VAL 32 6.111 -1.084 8.464 234 H PHE 33 H PHE 33 2.716 -2.257 11.446 235 HA PHE 33 HA PHE 33 -0.050 -1.364 11.332 236 1HB PHE 33 1HB PHE 33 1.662 -2.672 13.531 237 2HB PHE 33 2HB PHE 33 -0.079 -2.487 13.597 238 HD1 PHE 33 HD1 PHE 33 2.670 -4.450 12.289 239 HD2 PHE 33 HD2 PHE 33 -1.523 -3.825 12.086 240 HE1 PHE 33 HE1 PHE 33 2.390 -6.686 11.184 241 HE2 PHE 33 HE2 PHE 33 -1.802 -6.061 10.981 242 HZ PHE 33 HZ PHE 33 0.157 -7.465 10.543 243 H ILE 34 H ILE 34 -0.685 0.603 12.084 244 HA ILE 34 HA ILE 34 1.308 2.276 13.320 245 HB ILE 34 HB ILE 34 -0.241 4.048 12.991 246 1HG1 ILE 34 1HG1 ILE 34 -2.410 2.334 11.881 247 2HG1 ILE 34 2HG1 ILE 34 -2.227 2.345 13.624 248 1HG2 ILE 34 1HG2 ILE 34 -0.951 3.340 10.466 249 2HG2 ILE 34 2HG2 ILE 34 0.672 3.893 10.944 250 3HG2 ILE 34 3HG2 ILE 34 0.330 2.152 10.803 251 1HD1 ILE 34 1HD1 ILE 34 -3.797 4.120 12.799 252 2HD1 ILE 34 2HD1 ILE 34 -2.409 4.795 13.686 253 3HD1 ILE 34 3HD1 ILE 34 -2.446 4.861 11.908 254 H ASP 35 H ASP 35 -1.179 0.070 14.297 255 HA ASP 35 HA ASP 35 -1.895 1.376 16.672 256 1HB ASP 35 1HB ASP 35 -3.351 -0.330 15.754 257 2HB ASP 35 2HB ASP 35 -2.058 -1.512 15.719 258 H ASP 36 H ASP 36 0.395 1.937 17.395 259 HA ASP 36 HA ASP 36 1.234 0.417 19.454 260 1HB ASP 36 1HB ASP 36 3.435 -0.506 18.490 261 2HB ASP 36 2HB ASP 36 1.976 -1.385 18.079 262 H ASP 37 H ASP 37 2.054 2.478 16.651 263 HA ASP 37 HA ASP 37 3.936 3.915 18.350 264 1HB ASP 37 1HB ASP 37 3.826 3.304 15.419 265 2HB ASP 37 2HB ASP 37 4.387 4.911 15.835 266 H ALA 38 H ALA 38 2.787 5.648 19.252 267 HA ALA 38 HA ALA 38 0.449 6.706 18.183 268 1HB ALA 38 1HB ALA 38 2.387 7.330 20.340 269 2HB ALA 38 2HB ALA 38 1.453 8.722 19.743 270 3HB ALA 38 3HB ALA 38 0.607 7.290 20.376 271 H ALA 39 H ALA 39 3.897 7.448 17.630 272 HA ALA 39 HA ALA 39 3.632 9.939 16.462 273 1HB ALA 39 1HB ALA 39 5.789 9.351 15.355 274 2HB ALA 39 2HB ALA 39 5.775 8.942 17.088 275 3HB ALA 39 3HB ALA 39 5.565 7.662 15.869 276 H LEU 40 H LEU 40 3.353 6.629 15.028 277 HA LEU 40 HA LEU 40 2.895 7.623 12.413 278 1HB LEU 40 1HB LEU 40 2.380 4.921 13.663 279 2HB LEU 40 2HB LEU 40 2.234 5.275 11.953 280 HG LEU 40 HG LEU 40 4.812 5.678 13.482 281 1HD1 LEU 40 1HD1 LEU 40 5.311 3.509 13.434 282 2HD1 LEU 40 2HD1 LEU 40 3.588 3.217 13.098 283 3HD1 LEU 40 3HD1 LEU 40 4.749 3.334 11.754 284 1HD2 LEU 40 1HD2 LEU 40 4.663 6.903 11.387 285 2HD2 LEU 40 2HD2 LEU 40 5.833 5.569 11.248 286 3HD2 LEU 40 3HD2 LEU 40 4.215 5.414 10.522 287 H GLU 41 H GLU 41 0.844 6.722 15.210 288 HA GLU 41 HA GLU 41 -1.557 6.714 13.832 289 1HB GLU 41 1HB GLU 41 -0.806 7.179 16.734 290 2HB GLU 41 2HB GLU 41 -2.478 7.285 16.220 291 1HG GLU 41 1HG GLU 41 -1.090 4.878 15.183 292 2HG GLU 41 2HG GLU 41 -1.148 4.939 16.934 293 H SER 42 H SER 42 0.251 9.348 15.518 294 HA SER 42 HA SER 42 -1.766 11.250 15.121 295 1HB SER 42 1HB SER 42 0.691 11.100 16.489 296 2HB SER 42 2HB SER 42 0.949 12.358 15.297 297 HG SER 42 HG SER 42 0.073 13.343 17.140 298 H ALA 43 H ALA 43 1.084 10.148 13.251 299 HA ALA 43 HA ALA 43 1.075 12.286 11.408 300 1HB ALA 43 1HB ALA 43 2.834 11.152 10.451 301 2HB ALA 43 2HB ALA 43 2.826 10.354 12.042 302 3HB ALA 43 3HB ALA 43 2.059 9.562 10.645 303 H TYR 44 H TYR 44 -0.305 8.933 11.368 304 HA TYR 44 HA TYR 44 -1.780 9.667 8.949 305 1HB TYR 44 1HB TYR 44 -1.148 7.089 10.508 306 2HB TYR 44 2HB TYR 44 -2.232 7.090 9.131 307 HD1 TYR 44 HD1 TYR 44 -0.940 8.764 7.151 308 HD2 TYR 44 HD2 TYR 44 0.826 6.020 9.918 309 HE1 TYR 44 HE1 TYR 44 1.047 8.461 5.594 310 HE2 TYR 44 HE2 TYR 44 2.807 5.727 8.352 311 HH TYR 44 HH TYR 44 3.546 7.792 5.978 312 H GLY 45 H GLY 45 -2.496 7.562 11.820 313 1HA GLY 45 1HA GLY 45 -4.320 7.403 13.121 314 2HA GLY 45 2HA GLY 45 -4.589 9.112 12.841 315 H LEU 46 H LEU 46 -5.789 9.787 10.859 316 HA LEU 46 HA LEU 46 -7.914 7.905 10.350 317 1HB LEU 46 1HB LEU 46 -7.470 10.805 10.124 318 2HB LEU 46 2HB LEU 46 -8.450 10.118 8.844 319 HG LEU 46 HG LEU 46 -9.732 11.022 10.790 320 1HD1 LEU 46 1HD1 LEU 46 -10.844 9.505 9.325 321 2HD1 LEU 46 2HD1 LEU 46 -10.050 8.099 10.074 322 3HD1 LEU 46 3HD1 LEU 46 -11.254 9.035 10.992 323 1HD2 LEU 46 1HD2 LEU 46 -9.557 8.818 12.571 324 2HD2 LEU 46 2HD2 LEU 46 -7.902 9.399 12.270 325 3HD2 LEU 46 3HD2 LEU 46 -9.146 10.524 12.868 326 H ARG 47 H ARG 47 -5.023 9.223 8.773 327 HA ARG 47 HA ARG 47 -5.860 8.123 6.256 328 1HB ARG 47 1HB ARG 47 -3.298 9.565 7.106 329 2HB ARG 47 2HB ARG 47 -3.628 9.050 5.464 330 1HG ARG 47 1HG ARG 47 -4.788 10.961 5.104 331 2HG ARG 47 2HG ARG 47 -5.948 10.482 6.327 332 1HD ARG 47 1HD ARG 47 -5.057 11.889 7.917 333 2HD ARG 47 2HD ARG 47 -3.405 11.548 7.443 334 HE ARG 47 HE ARG 47 -4.422 13.021 5.308 335 1HH1 ARG 47 2HH2 ARG 47 -4.136 13.548 8.775 336 2HH1 ARG 47 1HH2 ARG 47 -4.011 15.270 8.632 337 1HH2 ARG 47 2HH1 ARG 47 -4.257 15.293 5.119 338 2HH2 ARG 47 1HH1 ARG 47 -4.080 16.269 6.539 339 H VAL 48 H VAL 48 -5.577 6.203 8.386 340 HA VAL 48 HA VAL 48 -3.117 5.007 8.623 341 HB VAL 48 HB VAL 48 -5.942 4.283 8.979 342 1HG1 VAL 48 1HG1 VAL 48 -5.310 2.391 7.585 343 2HG1 VAL 48 2HG1 VAL 48 -3.863 2.105 8.580 344 3HG1 VAL 48 3HG1 VAL 48 -5.483 1.865 9.276 345 1HG2 VAL 48 1HG2 VAL 48 -5.319 3.974 11.155 346 2HG2 VAL 48 2HG2 VAL 48 -3.743 3.268 10.724 347 3HG2 VAL 48 3HG2 VAL 48 -3.982 5.030 10.640 348 HA PRO 49 HA PRO 49 -4.136 2.628 4.661 349 1HB PRO 49 1HB PRO 49 -6.221 3.427 3.086 350 2HB PRO 49 2HB PRO 49 -6.351 2.138 4.266 351 1HG PRO 49 1HG PRO 49 -7.382 4.904 4.421 352 2HG PRO 49 2HG PRO 49 -7.850 3.504 5.365 353 1HD PRO 49 1HD PRO 49 -6.172 5.667 6.220 354 2HD PRO 49 2HD PRO 49 -6.546 4.211 7.121 355 H VAL 50 H VAL 50 -2.135 3.981 4.611 356 HA VAL 50 HA VAL 50 -2.387 5.788 2.305 357 HB VAL 50 HB VAL 50 -0.842 5.972 4.866 358 1HG1 VAL 50 1HG1 VAL 50 1.028 6.529 3.756 359 2HG1 VAL 50 2HG1 VAL 50 0.174 6.654 2.199 360 3HG1 VAL 50 3HG1 VAL 50 0.177 8.032 3.327 361 1HG2 VAL 50 1HG2 VAL 50 -3.116 7.127 4.269 362 2HG2 VAL 50 2HG2 VAL 50 -1.842 8.052 5.098 363 3HG2 VAL 50 3HG2 VAL 50 -2.088 8.250 3.347 364 H LEU 51 H LEU 51 -1.271 5.202 0.510 365 HA LEU 51 HA LEU 51 0.498 2.906 0.774 366 1HB LEU 51 1HB LEU 51 -1.443 3.722 -1.092 367 2HB LEU 51 2HB LEU 51 0.097 3.854 -1.919 368 HG LEU 51 HG LEU 51 -0.753 1.352 -0.447 369 1HD1 LEU 51 1HD1 LEU 51 -1.325 0.450 -2.718 370 2HD1 LEU 51 2HD1 LEU 51 -2.443 1.688 -2.095 371 3HD1 LEU 51 3HD1 LEU 51 -1.239 2.118 -3.334 372 1HD2 LEU 51 1HD2 LEU 51 0.986 0.906 -2.675 373 2HD2 LEU 51 2HD2 LEU 51 1.685 2.174 -1.640 374 3HD2 LEU 51 3HD2 LEU 51 1.266 0.589 -0.946 375 H ARG 52 H ARG 52 2.657 3.158 0.919 376 HA ARG 52 HA ARG 52 3.698 5.683 -0.091 377 1HB ARG 52 1HB ARG 52 3.866 5.246 2.429 378 2HB ARG 52 2HB ARG 52 4.936 3.906 2.069 379 1HG ARG 52 1HG ARG 52 6.334 5.659 0.704 380 2HG ARG 52 2HG ARG 52 5.410 6.867 1.575 381 1HD ARG 52 1HD ARG 52 6.236 6.107 3.717 382 2HD ARG 52 2HD ARG 52 6.867 4.622 3.033 383 HE ARG 52 HE ARG 52 8.776 5.779 2.308 384 1HH1 ARG 52 2HH2 ARG 52 6.272 8.088 3.191 385 2HH1 ARG 52 1HH2 ARG 52 7.317 9.463 3.067 386 1HH2 ARG 52 2HH1 ARG 52 10.156 7.593 2.143 387 2HH2 ARG 52 1HH1 ARG 52 9.541 9.180 2.466 388 H ASP 53 H ASP 53 5.822 5.607 -1.176 389 HA ASP 53 HA ASP 53 6.391 2.925 -2.168 390 1HB ASP 53 1HB ASP 53 7.564 4.524 -4.025 391 2HB ASP 53 2HB ASP 53 5.906 3.973 -4.154 392 HA PRO 54 HA PRO 54 10.509 3.584 -0.805 393 1HB PRO 54 1HB PRO 54 12.051 2.340 -2.687 394 2HB PRO 54 2HB PRO 54 11.190 1.475 -1.430 395 1HG PRO 54 1HG PRO 54 10.536 1.704 -4.304 396 2HG PRO 54 2HG PRO 54 9.958 0.531 -3.137 397 1HD PRO 54 1HD PRO 54 8.518 2.793 -4.155 398 2HD PRO 54 2HD PRO 54 7.985 1.688 -2.904 399 H MET 55 H MET 55 9.660 4.801 -3.880 400 HA MET 55 HA MET 55 12.048 6.133 -4.396 401 1HB MET 55 1HB MET 55 9.254 6.066 -5.387 402 2HB MET 55 2HB MET 55 9.954 7.667 -5.525 403 1HG MET 55 1HG MET 55 12.045 6.308 -6.521 404 2HG MET 55 2HG MET 55 10.825 5.095 -6.851 405 1HE MET 55 1HE MET 55 11.826 8.491 -9.444 406 2HE MET 55 2HE MET 55 12.434 8.349 -7.777 407 3HE MET 55 3HE MET 55 12.675 7.014 -8.929 408 H GLY 56 H GLY 56 9.081 7.041 -2.572 409 1HA GLY 56 1HA GLY 56 9.586 8.478 -0.624 410 2HA GLY 56 2HA GLY 56 10.465 9.518 -1.727 411 H ARG 57 H ARG 57 7.297 7.793 -2.141 412 HA ARG 57 HA ARG 57 6.009 10.375 -2.138 413 1HB ARG 57 1HB ARG 57 5.441 8.380 -4.372 414 2HB ARG 57 2HB ARG 57 4.935 10.055 -4.280 415 1HG ARG 57 1HG ARG 57 7.636 10.410 -4.125 416 2HG ARG 57 2HG ARG 57 7.604 8.913 -5.037 417 1HD ARG 57 1HD ARG 57 7.532 10.586 -6.722 418 2HD ARG 57 2HD ARG 57 5.859 10.085 -6.579 419 HE ARG 57 HE ARG 57 6.482 12.285 -4.776 420 1HH1 ARG 57 2HH2 ARG 57 5.657 11.500 -8.105 421 2HH1 ARG 57 1HH2 ARG 57 4.982 13.059 -8.440 422 1HH2 ARG 57 2HH1 ARG 57 5.591 14.342 -5.217 423 2HH2 ARG 57 1HH1 ARG 57 4.944 14.687 -6.786 424 H GLU 58 H GLU 58 3.489 10.034 -2.250 425 HA GLU 58 HA GLU 58 2.791 7.432 -1.170 426 1HB GLU 58 1HB GLU 58 2.232 10.130 0.113 427 2HB GLU 58 2HB GLU 58 1.257 8.721 0.482 428 1HG GLU 58 1HG GLU 58 3.718 7.614 0.815 429 2HG GLU 58 2HG GLU 58 4.127 9.281 1.171 430 H LEU 59 H LEU 59 0.329 7.102 -1.177 431 HA LEU 59 HA LEU 59 -0.871 8.689 -3.337 432 1HB LEU 59 1HB LEU 59 -0.077 6.454 -4.085 433 2HB LEU 59 2HB LEU 59 -1.158 5.711 -2.923 434 HG LEU 59 HG LEU 59 -3.103 6.609 -4.076 435 1HD1 LEU 59 1HD1 LEU 59 -1.068 7.998 -5.824 436 2HD1 LEU 59 2HD1 LEU 59 -2.758 7.742 -6.319 437 3HD1 LEU 59 3HD1 LEU 59 -2.392 8.714 -4.874 438 1HD2 LEU 59 1HD2 LEU 59 -1.593 4.532 -4.908 439 2HD2 LEU 59 2HD2 LEU 59 -3.146 4.991 -5.647 440 3HD2 LEU 59 3HD2 LEU 59 -1.617 5.515 -6.392 441 H ASP 60 H ASP 60 -3.085 9.186 -3.115 442 HA ASP 60 HA ASP 60 -3.944 9.554 -0.544 443 1HB ASP 60 1HB ASP 60 -4.889 10.052 -3.205 444 2HB ASP 60 2HB ASP 60 -6.208 9.277 -2.351 445 H TRP 61 H TRP 61 -5.685 8.467 0.689 446 HA TRP 61 HA TRP 61 -5.559 5.696 0.657 447 1HB TRP 61 1HB TRP 61 -6.295 6.257 2.675 448 2HB TRP 61 2HB TRP 61 -6.960 7.780 2.120 449 HD1 TRP 61 HD1 TRP 61 -9.458 7.787 2.885 450 HE1 TRP 61 HE1 TRP 61 -11.549 6.179 2.824 451 HE3 TRP 61 HE3 TRP 61 -6.991 3.796 0.924 452 HZ2 TRP 61 HZ2 TRP 61 -11.929 3.478 1.982 453 HZ3 TRP 61 HZ3 TRP 61 -8.296 1.712 0.514 454 HH2 TRP 61 HH2 TRP 61 -10.681 1.514 1.010 455 HA PRO 62 HA PRO 62 -9.636 5.932 -1.754 456 1HB PRO 62 1HB PRO 62 -10.563 8.334 -2.671 457 2HB PRO 62 2HB PRO 62 -11.098 7.611 -1.166 458 1HG PRO 62 1HG PRO 62 -9.249 9.881 -1.578 459 2HG PRO 62 2HG PRO 62 -10.118 9.422 -0.126 460 1HD PRO 62 1HD PRO 62 -7.335 8.989 -0.671 461 2HD PRO 62 2HD PRO 62 -8.229 8.428 0.728 462 H PHE 63 H PHE 63 -9.011 4.780 -3.467 463 HA PHE 63 HA PHE 63 -8.241 6.356 -5.763 464 1HB PHE 63 1HB PHE 63 -6.307 4.455 -5.922 465 2HB PHE 63 2HB PHE 63 -6.019 5.958 -5.068 466 HD1 PHE 63 HD1 PHE 63 -8.094 3.111 -3.902 467 HD2 PHE 63 HD2 PHE 63 -4.474 5.277 -3.440 468 HE1 PHE 63 HE1 PHE 63 -7.591 1.824 -1.806 469 HE2 PHE 63 HE2 PHE 63 -3.972 3.990 -1.345 470 HZ PHE 63 HZ PHE 63 -5.536 2.279 -0.552 471 H ASP 64 H ASP 64 -7.488 4.399 -7.526 472 HA ASP 64 HA ASP 64 -9.659 2.466 -7.315 473 1HB ASP 64 1HB ASP 64 -8.645 3.688 -9.917 474 2HB ASP 64 2HB ASP 64 -10.065 2.683 -9.706 475 H ALA 65 H ALA 65 -9.081 0.896 -9.564 476 HA ALA 65 HA ALA 65 -6.665 -0.396 -8.740 477 1HB ALA 65 1HB ALA 65 -7.810 -2.146 -9.554 478 2HB ALA 65 2HB ALA 65 -9.086 -1.046 -10.127 479 3HB ALA 65 3HB ALA 65 -7.719 -1.452 -11.191 480 HA PRO 66 HA PRO 66 -5.351 1.216 -12.994 481 1HB PRO 66 1HB PRO 66 -6.891 3.062 -14.293 482 2HB PRO 66 2HB PRO 66 -6.977 1.342 -14.620 483 1HG PRO 66 1HG PRO 66 -8.876 3.041 -13.121 484 2HG PRO 66 2HG PRO 66 -9.136 1.453 -13.816 485 1HD PRO 66 1HD PRO 66 -8.711 2.066 -11.046 486 2HD PRO 66 2HD PRO 66 -8.855 0.470 -11.756 487 H ARG 67 H ARG 67 -6.823 3.338 -10.733 488 HA ARG 67 HA ARG 67 -5.120 5.493 -11.439 489 1HB ARG 67 1HB ARG 67 -7.511 5.296 -10.084 490 2HB ARG 67 2HB ARG 67 -6.406 5.451 -8.733 491 1HG ARG 67 1HG ARG 67 -5.816 7.624 -9.274 492 2HG ARG 67 2HG ARG 67 -5.929 7.344 -11.000 493 1HD ARG 67 1HD ARG 67 -8.567 7.071 -9.766 494 2HD ARG 67 2HD ARG 67 -7.858 8.614 -9.334 495 HE ARG 67 HE ARG 67 -7.626 7.929 -12.189 496 1HH1 ARG 67 2HH2 ARG 67 -9.548 9.535 -9.717 497 2HH1 ARG 67 1HH2 ARG 67 -10.375 10.558 -10.844 498 1HH2 ARG 67 2HH1 ARG 67 -8.717 9.278 -13.676 499 2HH2 ARG 67 1HH1 ARG 67 -9.899 10.411 -13.111 500 H LEU 68 H LEU 68 -5.131 2.760 -9.159 501 HA LEU 68 HA LEU 68 -2.989 3.824 -7.572 502 1HB LEU 68 1HB LEU 68 -4.817 2.372 -6.707 503 2HB LEU 68 2HB LEU 68 -4.166 1.043 -7.646 504 HG LEU 68 HG LEU 68 -2.011 2.071 -6.113 505 1HD1 LEU 68 1HD1 LEU 68 -3.010 3.029 -4.353 506 2HD1 LEU 68 2HD1 LEU 68 -4.595 2.313 -4.733 507 3HD1 LEU 68 3HD1 LEU 68 -3.377 1.362 -3.848 508 1HD2 LEU 68 1HD2 LEU 68 -1.690 -0.109 -5.613 509 2HD2 LEU 68 2HD2 LEU 68 -3.398 -0.385 -5.195 510 3HD2 LEU 68 3HD2 LEU 68 -2.895 -0.346 -6.902 511 H ARG 69 H ARG 69 -3.427 1.548 -10.307 512 HA ARG 69 HA ARG 69 -0.816 0.576 -10.205 513 1HB ARG 69 1HB ARG 69 -2.614 -0.620 -11.399 514 2HB ARG 69 2HB ARG 69 -2.836 0.728 -12.497 515 1HG ARG 69 1HG ARG 69 -1.345 -0.289 -13.876 516 2HG ARG 69 2HG ARG 69 -0.099 0.176 -12.735 517 1HD ARG 69 1HD ARG 69 -0.491 -1.977 -11.474 518 2HD ARG 69 2HD ARG 69 -1.674 -2.445 -12.680 519 HE ARG 69 HE ARG 69 0.066 -2.945 -14.173 520 1HH1 ARG 69 2HH2 ARG 69 1.329 -1.021 -11.511 521 2HH1 ARG 69 1HH2 ARG 69 2.984 -1.228 -11.978 522 1HH2 ARG 69 2HH1 ARG 69 2.249 -3.219 -14.790 523 2HH2 ARG 69 1HH1 ARG 69 3.511 -2.487 -13.856 524 H ALA 70 H ALA 70 -2.451 3.119 -12.221 525 HA ALA 70 HA ALA 70 -0.283 3.819 -13.779 526 1HB ALA 70 1HB ALA 70 -2.837 5.075 -12.877 527 2HB ALA 70 2HB ALA 70 -1.606 6.165 -13.557 528 3HB ALA 70 3HB ALA 70 -2.216 4.800 -14.522 529 H TRP 71 H TRP 71 -1.072 4.569 -10.390 530 HA TRP 71 HA TRP 71 0.849 6.665 -10.175 531 1HB TRP 71 1HB TRP 71 -1.091 6.639 -8.750 532 2HB TRP 71 2HB TRP 71 -0.675 5.057 -8.121 533 HD1 TRP 71 HD1 TRP 71 0.494 8.739 -7.883 534 HE1 TRP 71 HE1 TRP 71 1.945 9.133 -5.715 535 HE3 TRP 71 HE3 TRP 71 0.744 3.845 -6.523 536 HZ2 TRP 71 HZ2 TRP 71 3.011 7.394 -3.719 537 HZ3 TRP 71 HZ3 TRP 71 2.009 3.279 -4.452 538 HH2 TRP 71 HH2 TRP 71 3.120 4.960 -3.068 539 H LEU 72 H LEU 72 0.711 3.116 -9.702 540 HA LEU 72 HA LEU 72 3.173 2.904 -8.352 541 1HB LEU 72 1HB LEU 72 1.503 0.949 -9.928 542 2HB LEU 72 2HB LEU 72 2.988 0.498 -9.114 543 HG LEU 72 HG LEU 72 0.858 1.872 -7.520 544 1HD1 LEU 72 1HD1 LEU 72 0.414 -0.579 -8.977 545 2HD1 LEU 72 2HD1 LEU 72 0.377 -0.879 -7.223 546 3HD1 LEU 72 3HD1 LEU 72 -0.697 0.347 -7.939 547 1HD2 LEU 72 1HD2 LEU 72 2.801 -0.356 -6.851 548 2HD2 LEU 72 2HD2 LEU 72 3.060 1.376 -6.531 549 3HD2 LEU 72 3HD2 LEU 72 1.737 0.509 -5.716 550 H ASP 73 H ASP 73 2.228 2.501 -11.831 551 HA ASP 73 HA ASP 73 4.652 1.818 -12.803 552 1HB ASP 73 1HB ASP 73 2.260 2.325 -13.918 553 2HB ASP 73 2HB ASP 73 3.007 3.863 -14.300 554 H ALA 74 H ALA 74 3.432 4.965 -11.660 555 HA ALA 74 HA ALA 74 5.156 6.714 -12.888 556 1HB ALA 74 1HB ALA 74 4.209 8.204 -11.459 557 2HB ALA 74 2HB ALA 74 3.174 6.835 -10.989 558 3HB ALA 74 3HB ALA 74 4.615 7.233 -10.023 559 H ALA 75 H ALA 75 5.772 4.261 -10.431 560 HA ALA 75 HA ALA 75 8.553 5.207 -10.326 561 1HB ALA 75 1HB ALA 75 7.639 3.687 -7.984 562 2HB ALA 75 2HB ALA 75 8.526 5.228 -8.068 563 3HB ALA 75 3HB ALA 75 6.751 5.214 -8.205 564 HA PRO 76 HA PRO 76 9.590 1.137 -11.361 565 1HB PRO 76 1HB PRO 76 11.892 0.649 -9.973 566 2HB PRO 76 2HB PRO 76 11.843 1.604 -11.441 567 1HG PRO 76 1HG PRO 76 12.138 2.518 -8.646 568 2HG PRO 76 2HG PRO 76 12.506 3.379 -10.127 569 1HD PRO 76 1HD PRO 76 10.217 3.763 -8.442 570 2HD PRO 76 2HD PRO 76 10.528 4.541 -9.981 571 H HIS 77 H HIS 77 10.337 -1.150 -10.514 572 HA HIS 77 HA HIS 77 9.033 -1.553 -7.943 573 1HB HIS 77 1HB HIS 77 7.951 -3.637 -9.000 574 2HB HIS 77 2HB HIS 77 7.210 -2.072 -9.271 575 HD1 HIS 77 HD1 HIS 77 8.394 -5.013 -11.047 576 HD2 HIS 77 HD2 HIS 77 7.997 -0.932 -11.932 577 HE1 HIS 77 HE1 HIS 77 8.469 -4.822 -13.591 578 H ALA 78 H ALA 78 9.341 -4.120 -7.426 579 HA ALA 78 HA ALA 78 11.698 -5.271 -8.505 580 1HB ALA 78 1HB ALA 78 12.565 -3.349 -7.044 581 2HB ALA 78 2HB ALA 78 11.941 -4.265 -5.651 582 3HB ALA 78 3HB ALA 78 13.207 -4.970 -6.685 Start of MODEL 2 1 1H MET 1 1H MET 1 14.041 -1.743 -2.372 2 HA MET 1 HA MET 1 13.048 -2.940 -0.724 3 1HB MET 1 1HB MET 1 12.699 -0.176 0.430 4 2HB MET 1 2HB MET 1 11.492 -1.358 0.897 5 1HG MET 1 1HG MET 1 12.964 -2.524 2.217 6 2HG MET 1 2HG MET 1 14.255 -2.421 1.037 7 1HE MET 1 1HE MET 1 16.284 -1.739 2.184 8 2HE MET 1 2HE MET 1 16.355 -0.679 3.612 9 3HE MET 1 3HE MET 1 15.456 -2.214 3.686 10 H ALA 2 H ALA 2 10.586 -3.337 -0.162 11 HA ALA 2 HA ALA 2 9.151 -2.822 -2.612 12 1HB ALA 2 1HB ALA 2 7.769 -4.585 -1.935 13 2HB ALA 2 2HB ALA 2 9.331 -5.031 -1.207 14 3HB ALA 2 3HB ALA 2 8.063 -4.285 -0.206 15 H LEU 3 H LEU 3 6.579 -2.478 -2.088 16 HA LEU 3 HA LEU 3 6.433 0.185 -1.208 17 1HB LEU 3 1HB LEU 3 4.412 -1.913 -1.949 18 2HB LEU 3 2HB LEU 3 3.912 -0.346 -1.343 19 HG LEU 3 HG LEU 3 5.865 -0.197 -3.543 20 1HD1 LEU 3 1HD1 LEU 3 4.957 -1.708 -4.898 21 2HD1 LEU 3 2HD1 LEU 3 3.593 -1.993 -3.790 22 3HD1 LEU 3 3HD1 LEU 3 3.520 -0.661 -4.969 23 1HD2 LEU 3 1HD2 LEU 3 4.653 1.738 -2.569 24 2HD2 LEU 3 2HD2 LEU 3 4.407 1.556 -4.323 25 3HD2 LEU 3 3HD2 LEU 3 3.130 1.056 -3.188 26 H THR 4 H THR 4 4.344 0.592 0.433 27 HA THR 4 HA THR 4 4.467 -1.149 2.721 28 HB THR 4 HB THR 4 5.802 1.598 2.670 29 HG1 THR 4 HG1 THR 4 6.386 -1.153 3.509 30 1HG2 THR 4 1HG2 THR 4 4.642 1.746 4.743 31 2HG2 THR 4 2HG2 THR 4 4.669 -0.017 4.985 32 3HG2 THR 4 3HG2 THR 4 6.157 0.935 5.205 33 H LEU 5 H LEU 5 2.376 -1.380 3.183 34 HA LEU 5 HA LEU 5 0.727 1.045 2.997 35 1HB LEU 5 1HB LEU 5 -0.079 -0.377 1.357 36 2HB LEU 5 2HB LEU 5 0.191 -1.820 2.314 37 HG LEU 5 HG LEU 5 -1.662 -0.678 3.873 38 1HD1 LEU 5 1HD1 LEU 5 -3.341 0.104 1.845 39 2HD1 LEU 5 2HD1 LEU 5 -2.469 1.192 2.952 40 3HD1 LEU 5 3HD1 LEU 5 -1.786 0.816 1.352 41 1HD2 LEU 5 1HD2 LEU 5 -1.779 -2.563 1.589 42 2HD2 LEU 5 2HD2 LEU 5 -2.256 -2.777 3.290 43 3HD2 LEU 5 3HD2 LEU 5 -3.336 -1.921 2.163 44 H TYR 6 H TYR 6 0.279 1.887 4.954 45 HA TYR 6 HA TYR 6 0.686 0.370 7.322 46 1HB TYR 6 1HB TYR 6 -0.430 3.087 6.459 47 2HB TYR 6 2HB TYR 6 -0.590 2.605 8.136 48 HD1 TYR 6 HD1 TYR 6 1.545 4.109 5.701 49 HD2 TYR 6 HD2 TYR 6 1.587 1.956 9.398 50 HE1 TYR 6 HE1 TYR 6 3.896 4.954 6.175 51 HE2 TYR 6 HE2 TYR 6 3.937 2.808 9.860 52 HH TYR 6 HH TYR 6 5.662 4.734 7.447 53 H GLN 7 H GLN 7 -0.753 -0.719 8.613 54 HA GLN 7 HA GLN 7 -3.564 -0.293 8.111 55 1HB GLN 7 1HB GLN 7 -4.057 -2.659 7.815 56 2HB GLN 7 2HB GLN 7 -2.872 -2.180 6.616 57 1HG GLN 7 1HG GLN 7 -1.063 -3.211 7.835 58 2HG GLN 7 2HG GLN 7 -2.034 -3.383 9.284 59 1HE2 GLN 7 1HE2 GLN 7 -0.598 -5.420 7.892 60 2HE2 GLN 7 2HE2 GLN 7 -1.723 -6.625 7.361 61 H ARG 8 H ARG 8 -4.887 -1.686 9.819 62 HA ARG 8 HA ARG 8 -3.346 -1.568 12.287 63 1HB ARG 8 1HB ARG 8 -6.323 -1.028 11.824 64 2HB ARG 8 2HB ARG 8 -5.578 -1.085 13.409 65 1HG ARG 8 1HG ARG 8 -3.916 0.717 12.453 66 2HG ARG 8 2HG ARG 8 -5.105 0.929 11.183 67 1HD ARG 8 1HD ARG 8 -6.097 0.950 14.032 68 2HD ARG 8 2HD ARG 8 -5.200 2.350 13.477 69 HE ARG 8 HE ARG 8 -6.958 2.891 11.992 70 1HH1 ARG 8 2HH2 ARG 8 -7.485 -0.288 13.406 71 2HH1 ARG 8 1HH2 ARG 8 -9.117 -0.410 12.840 72 1HH2 ARG 8 2HH1 ARG 8 -9.111 2.730 11.245 73 2HH2 ARG 8 1HH1 ARG 8 -10.049 1.318 11.602 74 H ASP 9 H ASP 9 -3.475 -3.897 10.560 75 HA ASP 9 HA ASP 9 -3.819 -6.035 10.638 76 1HB ASP 9 1HB ASP 9 -3.622 -5.258 13.355 77 2HB ASP 9 2HB ASP 9 -5.016 -6.319 13.306 78 H ASP 10 H ASP 10 -5.610 -6.169 9.168 79 HA ASP 10 HA ASP 10 -7.623 -6.630 8.509 80 1HB ASP 10 1HB ASP 10 -7.493 -8.139 10.678 81 2HB ASP 10 2HB ASP 10 -8.604 -6.969 11.361 82 H CYS 11 H CYS 11 -8.715 -4.814 7.733 83 HA CYS 11 HA CYS 11 -10.410 -3.366 9.490 84 1HB CYS 11 1HB CYS 11 -8.034 -2.332 9.785 85 2HB CYS 11 2HB CYS 11 -8.297 -1.645 8.194 86 HG CYS 11 HG CYS 11 -9.683 0.161 8.834 87 H HIS 12 H HIS 12 -11.912 -2.028 8.218 88 HA HIS 12 HA HIS 12 -12.310 -3.079 5.627 89 1HB HIS 12 1HB HIS 12 -13.950 -2.083 7.486 90 2HB HIS 12 2HB HIS 12 -13.727 -0.617 6.553 91 HD1 HIS 12 HD1 HIS 12 -16.512 -1.664 6.527 92 HD2 HIS 12 HD2 HIS 12 -13.623 -3.020 3.804 93 HE1 HIS 12 HE1 HIS 12 -17.796 -2.622 4.541 94 H LEU 13 H LEU 13 -11.399 0.204 6.884 95 HA LEU 13 HA LEU 13 -11.136 1.436 4.433 96 1HB LEU 13 1HB LEU 13 -11.026 2.285 6.909 97 2HB LEU 13 2HB LEU 13 -9.298 2.067 6.710 98 HG LEU 13 HG LEU 13 -9.664 3.509 4.530 99 1HD1 LEU 13 1HD1 LEU 13 -12.264 3.619 5.787 100 2HD1 LEU 13 2HD1 LEU 13 -11.547 5.244 5.673 101 3HD1 LEU 13 3HD1 LEU 13 -11.732 4.248 4.209 102 1HD2 LEU 13 1HD2 LEU 13 -8.689 5.229 5.645 103 2HD2 LEU 13 2HD2 LEU 13 -9.843 5.162 6.998 104 3HD2 LEU 13 3HD2 LEU 13 -8.519 3.977 6.898 105 H CYS 14 H CYS 14 -8.871 -0.683 6.239 106 HA CYS 14 HA CYS 14 -6.746 -0.220 4.408 107 1HB CYS 14 1HB CYS 14 -6.132 -0.810 6.631 108 2HB CYS 14 2HB CYS 14 -7.176 -2.218 6.639 109 HG CYS 14 HG CYS 14 -5.348 -3.657 6.158 110 H ASP 15 H ASP 15 -9.275 -2.738 4.984 111 HA ASP 15 HA ASP 15 -8.452 -4.637 3.262 112 1HB ASP 15 1HB ASP 15 -11.185 -3.617 4.068 113 2HB ASP 15 2HB ASP 15 -11.082 -4.868 2.845 114 H GLN 16 H GLN 16 -10.622 -1.786 2.584 115 HA GLN 16 HA GLN 16 -10.983 -2.284 -0.089 116 1HB GLN 16 1HB GLN 16 -11.198 0.107 1.704 117 2HB GLN 16 2HB GLN 16 -11.153 0.430 -0.018 118 1HG GLN 16 1HG GLN 16 -12.963 -1.523 -0.138 119 2HG GLN 16 2HG GLN 16 -13.198 -1.149 1.558 120 1HE2 GLN 16 1HE2 GLN 16 -14.290 0.614 2.163 121 2HE2 GLN 16 2HE2 GLN 16 -14.981 1.789 1.095 122 H ALA 17 H ALA 17 -8.251 -0.839 1.667 123 HA ALA 17 HA ALA 17 -7.039 0.333 -0.616 124 1HB ALA 17 1HB ALA 17 -6.660 1.028 1.758 125 2HB ALA 17 2HB ALA 17 -5.818 -0.515 2.040 126 3HB ALA 17 3HB ALA 17 -5.151 0.666 0.887 127 H VAL 18 H VAL 18 -6.706 -2.795 1.160 128 HA VAL 18 HA VAL 18 -4.544 -3.741 -0.337 129 HB VAL 18 HB VAL 18 -6.744 -5.115 1.210 130 1HG1 VAL 18 1HG1 VAL 18 -5.266 -7.117 1.205 131 2HG1 VAL 18 2HG1 VAL 18 -5.896 -6.708 -0.409 132 3HG1 VAL 18 3HG1 VAL 18 -4.216 -6.304 0.020 133 1HG2 VAL 18 1HG2 VAL 18 -5.164 -3.598 2.445 134 2HG2 VAL 18 2HG2 VAL 18 -5.136 -5.294 2.984 135 3HG2 VAL 18 3HG2 VAL 18 -3.834 -4.670 1.943 136 H GLU 19 H GLU 19 -8.093 -3.786 -0.855 137 HA GLU 19 HA GLU 19 -8.128 -5.632 -2.892 138 1HB GLU 19 1HB GLU 19 -9.966 -3.924 -1.608 139 2HB GLU 19 2HB GLU 19 -10.049 -3.449 -3.293 140 1HG GLU 19 1HG GLU 19 -10.905 -5.491 -3.980 141 2HG GLU 19 2HG GLU 19 -10.001 -6.399 -2.784 142 H ALA 20 H ALA 20 -7.811 -2.018 -3.029 143 HA ALA 20 HA ALA 20 -7.659 -1.847 -5.807 144 1HB ALA 20 1HB ALA 20 -6.630 0.382 -5.312 145 2HB ALA 20 2HB ALA 20 -8.113 0.073 -4.378 146 3HB ALA 20 3HB ALA 20 -6.522 -0.087 -3.598 147 H LEU 21 H LEU 21 -5.201 -2.494 -3.271 148 HA LEU 21 HA LEU 21 -2.976 -2.231 -4.965 149 1HB LEU 21 1HB LEU 21 -3.566 -3.067 -2.242 150 2HB LEU 21 2HB LEU 21 -2.299 -4.039 -2.964 151 HG LEU 21 HG LEU 21 -2.181 -1.031 -3.093 152 1HD1 LEU 21 1HD1 LEU 21 -0.833 -1.056 -1.018 153 2HD1 LEU 21 2HD1 LEU 21 -2.535 -1.505 -0.751 154 3HD1 LEU 21 3HD1 LEU 21 -1.276 -2.763 -0.777 155 1HD2 LEU 21 1HD2 LEU 21 -0.261 -1.417 -4.129 156 2HD2 LEU 21 2HD2 LEU 21 0.341 -2.303 -2.708 157 3HD2 LEU 21 3HD2 LEU 21 -0.532 -3.171 -3.994 158 H ALA 22 H ALA 22 -4.782 -5.161 -3.799 159 HA ALA 22 HA ALA 22 -3.338 -6.970 -5.351 160 1HB ALA 22 1HB ALA 22 -6.240 -7.418 -4.713 161 2HB ALA 22 2HB ALA 22 -4.854 -8.520 -4.542 162 3HB ALA 22 3HB ALA 22 -5.097 -7.207 -3.366 163 H GLN 23 H GLN 23 -6.412 -5.164 -5.985 164 HA GLN 23 HA GLN 23 -6.966 -6.346 -8.399 165 1HB GLN 23 1HB GLN 23 -7.647 -3.702 -7.121 166 2HB GLN 23 2HB GLN 23 -8.063 -3.940 -8.807 167 1HG GLN 23 1HG GLN 23 -8.862 -6.337 -7.511 168 2HG GLN 23 2HG GLN 23 -9.336 -5.053 -6.416 169 1HE2 GLN 23 1HE2 GLN 23 -10.745 -3.421 -7.107 170 2HE2 GLN 23 2HE2 GLN 23 -11.812 -3.624 -8.456 171 H ALA 24 H ALA 24 -4.917 -3.483 -7.600 172 HA ALA 24 HA ALA 24 -4.352 -2.901 -10.327 173 1HB ALA 24 1HB ALA 24 -4.278 -1.147 -8.666 174 2HB ALA 24 2HB ALA 24 -3.102 -2.055 -7.686 175 3HB ALA 24 3HB ALA 24 -2.622 -1.397 -9.269 176 H ARG 25 H ARG 25 -3.509 -5.487 -8.335 177 HA ARG 25 HA ARG 25 -1.982 -7.015 -8.378 178 1HB ARG 25 1HB ARG 25 -2.153 -6.111 -11.211 179 2HB ARG 25 2HB ARG 25 -0.676 -6.977 -10.836 180 1HG ARG 25 1HG ARG 25 -2.814 -8.417 -9.577 181 2HG ARG 25 2HG ARG 25 -3.354 -8.035 -11.200 182 1HD ARG 25 1HD ARG 25 -0.745 -8.836 -11.681 183 2HD ARG 25 2HD ARG 25 -1.163 -9.849 -10.313 184 HE ARG 25 HE ARG 25 -3.358 -9.969 -12.098 185 1HH1 ARG 25 2HH2 ARG 25 0.045 -10.864 -12.084 186 2HH1 ARG 25 1HH2 ARG 25 -0.162 -12.172 -13.200 187 1HH2 ARG 25 2HH1 ARG 25 -3.632 -11.694 -13.571 188 2HH2 ARG 25 1HH1 ARG 25 -2.268 -12.647 -14.052 189 H ALA 26 H ALA 26 -1.148 -4.539 -7.234 190 HA ALA 26 HA ALA 26 1.173 -3.430 -8.158 191 1HB ALA 26 1HB ALA 26 1.208 -2.398 -6.116 192 2HB ALA 26 2HB ALA 26 -0.421 -3.105 -5.991 193 3HB ALA 26 3HB ALA 26 0.964 -3.918 -5.223 194 H GLY 27 H GLY 27 0.864 -6.206 -5.824 195 1HA GLY 27 1HA GLY 27 2.362 -8.111 -6.604 196 2HA GLY 27 2HA GLY 27 3.648 -6.926 -6.483 197 H ALA 28 H ALA 28 4.838 -7.646 -4.730 198 HA ALA 28 HA ALA 28 3.338 -8.203 -2.272 199 1HB ALA 28 1HB ALA 28 6.073 -8.897 -1.991 200 2HB ALA 28 2HB ALA 28 4.688 -9.997 -2.190 201 3HB ALA 28 3HB ALA 28 5.589 -9.432 -3.618 202 H PHE 29 H PHE 29 4.177 -7.309 -0.236 203 HA PHE 29 HA PHE 29 6.159 -5.264 -0.366 204 1HB PHE 29 1HB PHE 29 4.462 -3.487 0.382 205 2HB PHE 29 2HB PHE 29 4.247 -4.004 -1.278 206 HD1 PHE 29 HD1 PHE 29 2.262 -5.133 -1.972 207 HD2 PHE 29 HD2 PHE 29 2.905 -4.307 2.141 208 HE1 PHE 29 HE1 PHE 29 -0.129 -5.719 -1.480 209 HE2 PHE 29 HE2 PHE 29 0.514 -4.892 2.632 210 HZ PHE 29 HZ PHE 29 -0.974 -5.591 0.816 211 H PHE 30 H PHE 30 5.860 -3.903 1.919 212 HA PHE 30 HA PHE 30 5.643 -6.039 3.909 213 1HB PHE 30 1HB PHE 30 7.016 -3.284 3.846 214 2HB PHE 30 2HB PHE 30 7.079 -4.364 5.225 215 HD1 PHE 30 HD1 PHE 30 9.240 -3.170 3.151 216 HD2 PHE 30 HD2 PHE 30 7.492 -6.973 3.847 217 HE1 PHE 30 HE1 PHE 30 11.275 -4.281 2.189 218 HE2 PHE 30 HE2 PHE 30 9.527 -8.085 2.885 219 HZ PHE 30 HZ PHE 30 11.394 -6.725 2.067 220 H SER 31 H SER 31 4.338 -5.815 5.740 221 HA SER 31 HA SER 31 2.482 -3.593 5.561 222 1HB SER 31 1HB SER 31 2.354 -6.393 6.637 223 2HB SER 31 2HB SER 31 1.366 -5.189 7.442 224 HG SER 31 HG SER 31 -0.023 -5.597 5.858 225 H VAL 32 H VAL 32 2.289 -2.064 7.221 226 HA VAL 32 HA VAL 32 3.973 -2.532 9.582 227 HB VAL 32 HB VAL 32 3.606 0.042 8.035 228 1HG1 VAL 32 1HG1 VAL 32 4.829 -0.598 10.693 229 2HG1 VAL 32 2HG1 VAL 32 5.606 0.638 9.674 230 3HG1 VAL 32 3HG1 VAL 32 3.908 0.833 10.171 231 1HG2 VAL 32 1HG2 VAL 32 5.716 -2.070 8.036 232 2HG2 VAL 32 2HG2 VAL 32 5.145 -1.017 6.720 233 3HG2 VAL 32 3HG2 VAL 32 6.250 -0.374 7.958 234 H PHE 33 H PHE 33 2.913 -2.340 11.499 235 HA PHE 33 HA PHE 33 0.136 -1.521 11.360 236 1HB PHE 33 1HB PHE 33 1.828 -2.531 13.717 237 2HB PHE 33 2HB PHE 33 0.081 -2.598 13.590 238 HD1 PHE 33 HD1 PHE 33 3.215 -4.179 12.645 239 HD2 PHE 33 HD2 PHE 33 -0.994 -4.245 12.108 240 HE1 PHE 33 HE1 PHE 33 3.375 -6.490 11.679 241 HE2 PHE 33 HE2 PHE 33 -0.835 -6.556 11.143 242 HZ PHE 33 HZ PHE 33 1.348 -7.651 10.940 243 H ILE 34 H ILE 34 -0.605 0.440 12.035 244 HA ILE 34 HA ILE 34 1.317 2.283 13.137 245 HB ILE 34 HB ILE 34 -0.299 3.953 12.712 246 1HG1 ILE 34 1HG1 ILE 34 -2.488 2.249 11.741 247 2HG1 ILE 34 2HG1 ILE 34 -2.191 2.088 13.461 248 1HG2 ILE 34 1HG2 ILE 34 -0.027 1.849 10.586 249 2HG2 ILE 34 2HG2 ILE 34 -1.007 3.306 10.290 250 3HG2 ILE 34 3HG2 ILE 34 0.719 3.461 10.697 251 1HD1 ILE 34 1HD1 ILE 34 -2.231 4.870 12.303 252 2HD1 ILE 34 2HD1 ILE 34 -3.780 4.016 12.507 253 3HD1 ILE 34 3HD1 ILE 34 -2.733 4.308 13.916 254 H ASP 35 H ASP 35 -0.959 -0.030 14.297 255 HA ASP 35 HA ASP 35 -1.991 1.220 16.489 256 1HB ASP 35 1HB ASP 35 -2.498 -0.958 17.297 257 2HB ASP 35 2HB ASP 35 -2.441 -1.146 15.556 258 H ASP 36 H ASP 36 -1.257 1.357 18.734 259 HA ASP 36 HA ASP 36 0.146 1.228 20.426 260 1HB ASP 36 1HB ASP 36 1.201 -0.799 18.969 261 2HB ASP 36 2HB ASP 36 2.517 0.344 18.792 262 H ASP 37 H ASP 37 1.820 1.973 17.275 263 HA ASP 37 HA ASP 37 3.442 3.958 18.396 264 1HB ASP 37 1HB ASP 37 2.774 2.916 15.684 265 2HB ASP 37 2HB ASP 37 3.277 4.595 15.703 266 H ALA 38 H ALA 38 2.260 5.642 19.427 267 HA ALA 38 HA ALA 38 -0.163 6.657 18.442 268 1HB ALA 38 1HB ALA 38 1.502 6.933 20.720 269 2HB ALA 38 2HB ALA 38 1.307 8.569 20.045 270 3HB ALA 38 3HB ALA 38 -0.127 7.607 20.477 271 H ALA 39 H ALA 39 3.273 7.441 17.859 272 HA ALA 39 HA ALA 39 2.913 9.944 16.700 273 1HB ALA 39 1HB ALA 39 5.012 8.193 17.261 274 2HB ALA 39 2HB ALA 39 5.028 8.315 15.486 275 3HB ALA 39 3HB ALA 39 5.153 9.786 16.480 276 H LEU 40 H LEU 40 2.935 6.622 15.248 277 HA LEU 40 HA LEU 40 2.452 7.581 12.633 278 1HB LEU 40 1HB LEU 40 2.073 4.843 13.851 279 2HB LEU 40 2HB LEU 40 2.003 5.206 12.138 280 HG LEU 40 HG LEU 40 4.451 5.700 13.851 281 1HD1 LEU 40 1HD1 LEU 40 4.223 3.400 11.936 282 2HD1 LEU 40 2HD1 LEU 40 5.317 3.627 13.322 283 3HD1 LEU 40 3HD1 LEU 40 3.599 3.248 13.596 284 1HD2 LEU 40 1HD2 LEU 40 4.451 7.075 11.887 285 2HD2 LEU 40 2HD2 LEU 40 5.606 5.742 11.641 286 3HD2 LEU 40 3HD2 LEU 40 4.009 5.693 10.855 287 H GLU 41 H GLU 41 0.415 6.638 15.407 288 HA GLU 41 HA GLU 41 -1.953 6.415 13.966 289 1HB GLU 41 1HB GLU 41 -1.335 6.998 16.883 290 2HB GLU 41 2HB GLU 41 -2.986 6.895 16.303 291 1HG GLU 41 1HG GLU 41 -1.360 4.639 15.337 292 2HG GLU 41 2HG GLU 41 -1.346 4.739 17.087 293 H SER 42 H SER 42 -0.415 9.177 15.728 294 HA SER 42 HA SER 42 -2.546 10.921 15.170 295 1HB SER 42 1HB SER 42 -0.221 10.945 16.765 296 2HB SER 42 2HB SER 42 0.043 12.236 15.610 297 HG SER 42 HG SER 42 -1.921 11.998 17.648 298 H ALA 43 H ALA 43 0.401 9.894 13.483 299 HA ALA 43 HA ALA 43 0.496 12.097 11.691 300 1HB ALA 43 1HB ALA 43 2.411 10.580 12.339 301 2HB ALA 43 2HB ALA 43 1.648 9.301 11.365 302 3HB ALA 43 3HB ALA 43 2.206 10.800 10.584 303 H TYR 44 H TYR 44 -0.892 8.764 11.625 304 HA TYR 44 HA TYR 44 -2.183 9.471 9.083 305 1HB TYR 44 1HB TYR 44 -1.534 6.864 10.590 306 2HB TYR 44 2HB TYR 44 -2.495 6.878 9.125 307 HD1 TYR 44 HD1 TYR 44 -1.225 8.468 7.199 308 HD2 TYR 44 HD2 TYR 44 0.636 6.137 10.266 309 HE1 TYR 44 HE1 TYR 44 0.900 8.325 5.811 310 HE2 TYR 44 HE2 TYR 44 2.755 6.002 8.868 311 HH TYR 44 HH TYR 44 3.840 7.054 7.142 312 H GLY 45 H GLY 45 -2.926 7.270 11.879 313 1HA GLY 45 1HA GLY 45 -4.801 6.993 13.085 314 2HA GLY 45 2HA GLY 45 -5.181 8.675 12.772 315 H LEU 46 H LEU 46 -6.217 9.222 10.619 316 HA LEU 46 HA LEU 46 -8.171 7.163 10.018 317 1HB LEU 46 1HB LEU 46 -8.063 10.066 10.013 318 2HB LEU 46 2HB LEU 46 -8.723 9.443 8.514 319 HG LEU 46 HG LEU 46 -10.474 9.948 10.145 320 1HD1 LEU 46 1HD1 LEU 46 -10.225 6.968 9.652 321 2HD1 LEU 46 2HD1 LEU 46 -11.721 7.870 9.991 322 3HD1 LEU 46 3HD1 LEU 46 -10.825 8.168 8.482 323 1HD2 LEU 46 1HD2 LEU 46 -10.385 9.419 12.304 324 2HD2 LEU 46 2HD2 LEU 46 -10.039 7.709 11.948 325 3HD2 LEU 46 3HD2 LEU 46 -8.709 8.890 12.021 326 H ARG 47 H ARG 47 -5.283 8.692 8.700 327 HA ARG 47 HA ARG 47 -5.875 7.682 6.079 328 1HB ARG 47 1HB ARG 47 -3.309 9.025 7.061 329 2HB ARG 47 2HB ARG 47 -3.819 8.837 5.394 330 1HG ARG 47 1HG ARG 47 -5.131 10.694 5.485 331 2HG ARG 47 2HG ARG 47 -5.905 10.166 6.966 332 1HD ARG 47 1HD ARG 47 -4.595 11.520 8.255 333 2HD ARG 47 2HD ARG 47 -3.126 10.989 7.461 334 HE ARG 47 HE ARG 47 -3.191 12.939 6.191 335 1HH1 ARG 47 2HH2 ARG 47 -6.467 12.179 7.226 336 2HH1 ARG 47 1HH2 ARG 47 -7.156 13.605 6.523 337 1HH2 ARG 47 2HH1 ARG 47 -4.100 14.820 5.264 338 2HH2 ARG 47 1HH1 ARG 47 -5.801 15.117 5.400 339 H VAL 48 H VAL 48 -5.682 5.671 8.129 340 HA VAL 48 HA VAL 48 -3.166 4.569 8.455 341 HB VAL 48 HB VAL 48 -5.983 3.714 8.680 342 1HG1 VAL 48 1HG1 VAL 48 -5.448 1.345 8.995 343 2HG1 VAL 48 2HG1 VAL 48 -5.072 1.864 7.334 344 3HG1 VAL 48 3HG1 VAL 48 -3.760 1.650 8.518 345 1HG2 VAL 48 1HG2 VAL 48 -5.458 3.953 10.832 346 2HG2 VAL 48 2HG2 VAL 48 -4.244 2.658 10.696 347 3HG2 VAL 48 3HG2 VAL 48 -3.782 4.347 10.377 348 HA PRO 49 HA PRO 49 -4.026 2.252 4.416 349 1HB PRO 49 1HB PRO 49 -6.060 3.073 2.786 350 2HB PRO 49 2HB PRO 49 -6.222 1.756 3.931 351 1HG PRO 49 1HG PRO 49 -7.279 4.511 4.113 352 2HG PRO 49 2HG PRO 49 -7.770 3.085 5.007 353 1HD PRO 49 1HD PRO 49 -6.140 5.239 5.972 354 2HD PRO 49 2HD PRO 49 -6.535 3.760 6.825 355 H VAL 50 H VAL 50 -2.067 3.729 4.556 356 HA VAL 50 HA VAL 50 -2.232 5.521 2.231 357 HB VAL 50 HB VAL 50 -0.819 5.733 4.870 358 1HG1 VAL 50 1HG1 VAL 50 0.275 6.482 2.267 359 2HG1 VAL 50 2HG1 VAL 50 0.117 7.877 3.361 360 3HG1 VAL 50 3HG1 VAL 50 1.052 6.449 3.868 361 1HG2 VAL 50 1HG2 VAL 50 -3.129 6.774 4.228 362 2HG2 VAL 50 2HG2 VAL 50 -1.929 7.761 5.097 363 3HG2 VAL 50 3HG2 VAL 50 -2.144 7.962 3.342 364 H LEU 51 H LEU 51 -0.982 4.992 0.506 365 HA LEU 51 HA LEU 51 0.903 2.797 0.906 366 1HB LEU 51 1HB LEU 51 -1.021 3.467 -1.090 367 2HB LEU 51 2HB LEU 51 0.565 3.491 -1.835 368 HG LEU 51 HG LEU 51 -0.517 1.164 -0.225 369 1HD1 LEU 51 1HD1 LEU 51 -0.587 0.121 -2.614 370 2HD1 LEU 51 2HD1 LEU 51 -1.929 1.146 -2.051 371 3HD1 LEU 51 3HD1 LEU 51 -0.699 1.815 -3.150 372 1HD2 LEU 51 1HD2 LEU 51 1.537 0.337 -0.305 373 2HD2 LEU 51 2HD2 LEU 51 1.510 0.418 -2.082 374 3HD2 LEU 51 3HD2 LEU 51 2.106 1.804 -1.137 375 H ARG 52 H ARG 52 3.034 3.219 1.067 376 HA ARG 52 HA ARG 52 3.909 5.739 -0.102 377 1HB ARG 52 1HB ARG 52 5.619 5.866 1.681 378 2HB ARG 52 2HB ARG 52 4.023 5.731 2.394 379 1HG ARG 52 1HG ARG 52 4.462 3.158 2.448 380 2HG ARG 52 2HG ARG 52 6.138 3.559 2.130 381 1HD ARG 52 1HD ARG 52 5.366 5.313 4.223 382 2HD ARG 52 2HD ARG 52 4.630 3.777 4.636 383 HE ARG 52 HE ARG 52 6.759 2.895 5.043 384 1HH1 ARG 52 2HH2 ARG 52 7.079 5.818 3.109 385 2HH1 ARG 52 1HH2 ARG 52 8.808 5.849 3.212 386 1HH2 ARG 52 2HH1 ARG 52 9.040 2.936 5.178 387 2HH2 ARG 52 1HH1 ARG 52 9.931 4.199 4.397 388 H ASP 53 H ASP 53 5.949 5.722 -1.243 389 HA ASP 53 HA ASP 53 7.069 3.057 -1.593 390 1HB ASP 53 1HB ASP 53 5.730 4.675 -3.551 391 2HB ASP 53 2HB ASP 53 7.433 4.698 -3.963 392 HA PRO 54 HA PRO 54 10.912 5.163 -1.299 393 1HB PRO 54 1HB PRO 54 12.539 4.013 -3.169 394 2HB PRO 54 2HB PRO 54 12.164 3.260 -1.632 395 1HG PRO 54 1HG PRO 54 11.133 2.595 -4.321 396 2HG PRO 54 2HG PRO 54 11.113 1.619 -2.866 397 1HD PRO 54 1HD PRO 54 8.902 3.050 -4.003 398 2HD PRO 54 2HD PRO 54 8.914 2.169 -2.488 399 H MET 55 H MET 55 10.421 4.817 -4.788 400 HA MET 55 HA MET 55 11.120 7.648 -4.934 401 1HB MET 55 1HB MET 55 11.930 7.141 -7.237 402 2HB MET 55 2HB MET 55 12.731 6.100 -6.078 403 1HG MET 55 1HG MET 55 11.957 4.266 -7.169 404 2HG MET 55 2HG MET 55 10.305 4.768 -6.869 405 1HE MET 55 1HE MET 55 13.364 4.877 -9.073 406 2HE MET 55 2HE MET 55 12.853 5.684 -10.575 407 3HE MET 55 3HE MET 55 13.135 6.641 -9.102 408 H GLY 56 H GLY 56 8.660 5.261 -5.363 409 1HA GLY 56 1HA GLY 56 7.218 6.532 -7.486 410 2HA GLY 56 2HA GLY 56 6.663 5.248 -6.431 411 H ARG 57 H ARG 57 7.645 7.127 -4.066 412 HA ARG 57 HA ARG 57 6.886 8.791 -2.867 413 1HB ARG 57 1HB ARG 57 4.669 9.397 -4.871 414 2HB ARG 57 2HB ARG 57 5.378 10.488 -3.696 415 1HG ARG 57 1HG ARG 57 7.634 9.909 -5.060 416 2HG ARG 57 2HG ARG 57 6.489 9.558 -6.339 417 1HD ARG 57 1HD ARG 57 7.019 11.874 -6.618 418 2HD ARG 57 2HD ARG 57 5.438 11.871 -5.862 419 HE ARG 57 HE ARG 57 7.583 11.924 -3.890 420 1HH1 ARG 57 2HH2 ARG 57 5.686 13.930 -6.072 421 2HH1 ARG 57 1HH2 ARG 57 5.927 15.379 -5.154 422 1HH2 ARG 57 2HH1 ARG 57 7.900 13.835 -2.678 423 2HH2 ARG 57 1HH1 ARG 57 7.194 15.324 -3.211 424 H GLU 58 H GLU 58 4.312 9.587 -2.107 425 HA GLU 58 HA GLU 58 3.144 7.006 -1.436 426 1HB GLU 58 1HB GLU 58 2.535 9.589 0.023 427 2HB GLU 58 2HB GLU 58 2.412 7.944 0.616 428 1HG GLU 58 1HG GLU 58 4.401 8.624 1.639 429 2HG GLU 58 2HG GLU 58 5.026 7.868 0.187 430 H LEU 59 H LEU 59 1.007 6.542 -1.959 431 HA LEU 59 HA LEU 59 -0.331 8.586 -3.565 432 1HB LEU 59 1HB LEU 59 0.164 6.403 -4.592 433 2HB LEU 59 2HB LEU 59 -0.808 5.609 -3.369 434 HG LEU 59 HG LEU 59 -2.782 6.972 -4.187 435 1HD1 LEU 59 1HD1 LEU 59 -2.616 8.480 -5.817 436 2HD1 LEU 59 2HD1 LEU 59 -0.853 8.380 -5.594 437 3HD1 LEU 59 3HD1 LEU 59 -1.650 7.390 -6.840 438 1HD2 LEU 59 1HD2 LEU 59 -2.640 4.653 -4.741 439 2HD2 LEU 59 2HD2 LEU 59 -3.123 5.535 -6.209 440 3HD2 LEU 59 3HD2 LEU 59 -1.445 4.969 -6.022 441 H ASP 60 H ASP 60 -2.525 9.170 -3.169 442 HA ASP 60 HA ASP 60 -3.144 9.503 -0.536 443 1HB ASP 60 1HB ASP 60 -4.176 10.348 -2.945 444 2HB ASP 60 2HB ASP 60 -5.449 9.261 -2.426 445 H TRP 61 H TRP 61 -5.194 8.595 0.609 446 HA TRP 61 HA TRP 61 -5.054 5.772 0.642 447 1HB TRP 61 1HB TRP 61 -5.664 6.339 2.697 448 2HB TRP 61 2HB TRP 61 -6.272 7.903 2.192 449 HD1 TRP 61 HD1 TRP 61 -8.726 8.038 3.077 450 HE1 TRP 61 HE1 TRP 61 -10.902 6.547 3.108 451 HE3 TRP 61 HE3 TRP 61 -6.580 3.940 0.966 452 HZ2 TRP 61 HZ2 TRP 61 -11.470 3.880 2.265 453 HZ3 TRP 61 HZ3 TRP 61 -8.016 1.934 0.605 454 HH2 TRP 61 HH2 TRP 61 -10.381 1.861 1.216 455 HA PRO 62 HA PRO 62 -9.230 6.227 -1.564 456 1HB PRO 62 1HB PRO 62 -10.056 8.674 -2.456 457 2HB PRO 62 2HB PRO 62 -10.562 7.992 -0.922 458 1HG PRO 62 1HG PRO 62 -8.604 10.147 -1.437 459 2HG PRO 62 2HG PRO 62 -9.429 9.747 0.056 460 1HD PRO 62 1HD PRO 62 -6.705 9.148 -0.614 461 2HD PRO 62 2HD PRO 62 -7.564 8.648 0.830 462 H PHE 63 H PHE 63 -8.750 5.029 -3.293 463 HA PHE 63 HA PHE 63 -8.059 6.525 -5.654 464 1HB PHE 63 1HB PHE 63 -6.128 4.646 -5.880 465 2HB PHE 63 2HB PHE 63 -5.803 6.149 -5.039 466 HD1 PHE 63 HD1 PHE 63 -7.820 3.306 -3.769 467 HD2 PHE 63 HD2 PHE 63 -4.173 5.458 -3.498 468 HE1 PHE 63 HE1 PHE 63 -7.215 2.018 -1.701 469 HE2 PHE 63 HE2 PHE 63 -3.567 4.170 -1.430 470 HZ PHE 63 HZ PHE 63 -5.096 2.466 -0.556 471 H ASP 64 H ASP 64 -7.643 4.752 -7.531 472 HA ASP 64 HA ASP 64 -9.746 2.777 -7.115 473 1HB ASP 64 1HB ASP 64 -8.779 3.827 -9.804 474 2HB ASP 64 2HB ASP 64 -10.259 2.949 -9.473 475 H ALA 65 H ALA 65 -9.302 1.096 -9.300 476 HA ALA 65 HA ALA 65 -6.883 -0.225 -8.521 477 1HB ALA 65 1HB ALA 65 -8.115 -1.982 -9.179 478 2HB ALA 65 2HB ALA 65 -9.389 -0.877 -9.750 479 3HB ALA 65 3HB ALA 65 -8.086 -1.380 -10.854 480 HA PRO 66 HA PRO 66 -5.752 1.129 -12.915 481 1HB PRO 66 1HB PRO 66 -7.306 2.957 -14.225 482 2HB PRO 66 2HB PRO 66 -7.458 1.227 -14.458 483 1HG PRO 66 1HG PRO 66 -9.225 3.056 -12.951 484 2HG PRO 66 2HG PRO 66 -9.567 1.445 -13.550 485 1HD PRO 66 1HD PRO 66 -8.977 2.180 -10.841 486 2HD PRO 66 2HD PRO 66 -9.205 0.557 -11.460 487 H ARG 67 H ARG 67 -6.939 3.315 -10.593 488 HA ARG 67 HA ARG 67 -5.267 5.423 -11.525 489 1HB ARG 67 1HB ARG 67 -7.557 5.337 -9.992 490 2HB ARG 67 2HB ARG 67 -6.349 5.515 -8.735 491 1HG ARG 67 1HG ARG 67 -5.686 7.633 -9.461 492 2HG ARG 67 2HG ARG 67 -6.084 7.307 -11.136 493 1HD ARG 67 1HD ARG 67 -8.489 7.196 -9.455 494 2HD ARG 67 2HD ARG 67 -7.665 8.730 -9.263 495 HE ARG 67 HE ARG 67 -7.966 7.854 -12.059 496 1HH1 ARG 67 2HH2 ARG 67 -9.358 9.705 -9.409 497 2HH1 ARG 67 1HH2 ARG 67 -10.335 10.693 -10.443 498 1HH2 ARG 67 2HH1 ARG 67 -9.256 9.157 -13.424 499 2HH2 ARG 67 1HH1 ARG 67 -10.277 10.379 -12.742 500 H LEU 68 H LEU 68 -5.179 2.765 -9.163 501 HA LEU 68 HA LEU 68 -2.908 3.819 -7.763 502 1HB LEU 68 1HB LEU 68 -4.700 2.435 -6.730 503 2HB LEU 68 2HB LEU 68 -4.149 1.066 -7.676 504 HG LEU 68 HG LEU 68 -1.857 2.048 -6.348 505 1HD1 LEU 68 1HD1 LEU 68 -4.034 2.968 -4.917 506 2HD1 LEU 68 2HD1 LEU 68 -3.613 1.448 -4.091 507 3HD1 LEU 68 3HD1 LEU 68 -2.387 2.722 -4.289 508 1HD2 LEU 68 1HD2 LEU 68 -1.787 -0.194 -6.598 509 2HD2 LEU 68 2HD2 LEU 68 -2.470 -0.174 -4.955 510 3HD2 LEU 68 3HD2 LEU 68 -3.540 -0.392 -6.361 511 H ARG 69 H ARG 69 -3.583 1.579 -10.459 512 HA ARG 69 HA ARG 69 -0.983 0.526 -10.493 513 1HB ARG 69 1HB ARG 69 -2.800 -0.731 -11.519 514 2HB ARG 69 2HB ARG 69 -3.229 0.613 -12.559 515 1HG ARG 69 1HG ARG 69 -1.973 -1.039 -13.864 516 2HG ARG 69 2HG ARG 69 -1.016 0.422 -13.717 517 1HD ARG 69 1HD ARG 69 0.554 -0.570 -12.312 518 2HD ARG 69 2HD ARG 69 -0.617 -1.644 -11.573 519 HE ARG 69 HE ARG 69 -0.370 -2.410 -14.303 520 1HH1 ARG 69 2HH2 ARG 69 1.586 -2.352 -11.378 521 2HH1 ARG 69 1HH2 ARG 69 2.563 -3.702 -11.851 522 1HH2 ARG 69 2HH1 ARG 69 0.919 -4.191 -14.928 523 2HH2 ARG 69 1HH1 ARG 69 2.181 -4.755 -13.884 524 H ALA 70 H ALA 70 -2.741 2.993 -12.506 525 HA ALA 70 HA ALA 70 -0.666 3.626 -14.211 526 1HB ALA 70 1HB ALA 70 -1.979 5.977 -14.025 527 2HB ALA 70 2HB ALA 70 -2.647 4.568 -14.883 528 3HB ALA 70 3HB ALA 70 -3.167 4.926 -13.218 529 H TRP 71 H TRP 71 -1.344 4.651 -10.848 530 HA TRP 71 HA TRP 71 0.517 6.753 -10.781 531 1HB TRP 71 1HB TRP 71 -1.238 6.602 -9.158 532 2HB TRP 71 2HB TRP 71 -0.691 5.027 -8.619 533 HD1 TRP 71 HD1 TRP 71 0.496 8.732 -8.518 534 HE1 TRP 71 HE1 TRP 71 2.077 9.151 -6.447 535 HE3 TRP 71 HE3 TRP 71 0.703 3.875 -7.028 536 HZ2 TRP 71 HZ2 TRP 71 3.210 7.442 -4.462 537 HZ3 TRP 71 HZ3 TRP 71 2.068 3.335 -5.013 538 HH2 TRP 71 HH2 TRP 71 3.295 5.026 -3.744 539 H LEU 72 H LEU 72 0.680 3.203 -10.211 540 HA LEU 72 HA LEU 72 3.274 3.166 -9.169 541 1HB LEU 72 1HB LEU 72 1.629 1.094 -10.619 542 2HB LEU 72 2HB LEU 72 3.201 0.760 -9.918 543 HG LEU 72 HG LEU 72 1.018 1.930 -8.210 544 1HD1 LEU 72 1HD1 LEU 72 1.073 -0.902 -7.873 545 2HD1 LEU 72 2HD1 LEU 72 -0.285 0.144 -8.352 546 3HD1 LEU 72 3HD1 LEU 72 0.788 -0.547 -9.593 547 1HD2 LEU 72 1HD2 LEU 72 2.206 0.983 -6.400 548 2HD2 LEU 72 2HD2 LEU 72 3.196 -0.033 -7.476 549 3HD2 LEU 72 3HD2 LEU 72 3.430 1.731 -7.454 550 H ASP 73 H ASP 73 2.018 2.786 -12.546 551 HA ASP 73 HA ASP 73 4.554 2.430 -13.639 552 1HB ASP 73 1HB ASP 73 1.788 2.841 -14.571 553 2HB ASP 73 2HB ASP 73 2.948 3.612 -15.634 554 H ALA 74 H ALA 74 2.457 5.260 -12.929 555 HA ALA 74 HA ALA 74 3.473 7.248 -14.408 556 1HB ALA 74 1HB ALA 74 1.698 7.308 -12.575 557 2HB ALA 74 2HB ALA 74 3.033 7.495 -11.412 558 3HB ALA 74 3HB ALA 74 2.766 8.730 -12.666 559 H ALA 75 H ALA 75 5.085 5.535 -11.720 560 HA ALA 75 HA ALA 75 7.086 5.849 -10.759 561 1HB ALA 75 1HB ALA 75 8.927 5.893 -12.594 562 2HB ALA 75 2HB ALA 75 7.792 4.522 -12.574 563 3HB ALA 75 3HB ALA 75 7.572 5.842 -13.747 564 HA PRO 76 HA PRO 76 7.124 10.388 -11.209 565 1HB PRO 76 1HB PRO 76 6.153 11.055 -8.742 566 2HB PRO 76 2HB PRO 76 5.147 10.954 -10.173 567 1HG PRO 76 1HG PRO 76 5.349 9.060 -7.913 568 2HG PRO 76 2HG PRO 76 4.080 9.206 -9.113 569 1HD PRO 76 1HD PRO 76 6.140 7.212 -9.028 570 2HD PRO 76 2HD PRO 76 4.942 7.428 -10.288 571 H HIS 77 H HIS 77 8.295 12.100 -9.879 572 HA HIS 77 HA HIS 77 10.357 10.705 -8.340 573 1HB HIS 77 1HB HIS 77 10.636 12.454 -10.720 574 2HB HIS 77 2HB HIS 77 11.750 12.777 -9.406 575 HD1 HIS 77 HD1 HIS 77 12.306 11.391 -12.331 576 HD2 HIS 77 HD2 HIS 77 12.239 9.543 -8.566 577 HE1 HIS 77 HE1 HIS 77 13.703 9.267 -12.552 578 H ALA 78 H ALA 78 9.365 14.092 -9.236 579 HA ALA 78 HA ALA 78 8.728 14.618 -6.473 580 1HB ALA 78 1HB ALA 78 11.244 15.542 -7.795 581 2HB ALA 78 2HB ALA 78 10.361 16.736 -6.814 582 3HB ALA 78 3HB ALA 78 10.910 15.210 -6.079 Start of MODEL 3 1 1H MET 1 1H MET 1 14.121 -1.625 -1.148 2 HA MET 1 HA MET 1 12.937 -3.248 0.079 3 1HB MET 1 1HB MET 1 11.405 -2.529 1.915 4 2HB MET 1 2HB MET 1 13.038 -1.988 2.245 5 1HG MET 1 1HG MET 1 12.537 0.267 1.804 6 2HG MET 1 2HG MET 1 11.220 -0.124 0.715 7 1HE MET 1 1HE MET 1 12.496 -0.089 4.337 8 2HE MET 1 2HE MET 1 11.853 1.519 3.922 9 3HE MET 1 3HE MET 1 11.065 0.543 5.185 10 H ALA 2 H ALA 2 10.510 -3.721 -0.136 11 HA ALA 2 HA ALA 2 9.617 -2.640 -2.597 12 1HB ALA 2 1HB ALA 2 9.238 -4.968 -1.221 13 2HB ALA 2 2HB ALA 2 7.707 -4.128 -0.875 14 3HB ALA 2 3HB ALA 2 8.200 -4.423 -2.560 15 H LEU 3 H LEU 3 6.746 -2.537 -1.972 16 HA LEU 3 HA LEU 3 6.635 0.210 -1.252 17 1HB LEU 3 1HB LEU 3 4.695 -1.898 -2.096 18 2HB LEU 3 2HB LEU 3 4.078 -0.441 -1.343 19 HG LEU 3 HG LEU 3 6.015 0.087 -3.492 20 1HD1 LEU 3 1HD1 LEU 3 4.892 -2.003 -4.316 21 2HD1 LEU 3 2HD1 LEU 3 3.352 -1.111 -4.286 22 3HD1 LEU 3 3HD1 LEU 3 4.673 -0.570 -5.349 23 1HD2 LEU 3 1HD2 LEU 3 3.448 1.237 -3.945 24 2HD2 LEU 3 2HD2 LEU 3 3.808 1.349 -2.206 25 3HD2 LEU 3 3HD2 LEU 3 4.946 2.025 -3.396 26 H THR 4 H THR 4 4.464 0.605 0.338 27 HA THR 4 HA THR 4 4.604 -1.063 2.676 28 HB THR 4 HB THR 4 5.694 1.801 2.716 29 HG1 THR 4 HG1 THR 4 6.849 -0.812 3.369 30 1HG2 THR 4 1HG2 THR 4 6.432 0.748 5.083 31 2HG2 THR 4 2HG2 THR 4 4.870 1.582 4.904 32 3HG2 THR 4 3HG2 THR 4 4.941 -0.196 4.856 33 H LEU 5 H LEU 5 2.499 -1.355 3.050 34 HA LEU 5 HA LEU 5 0.787 1.015 2.775 35 1HB LEU 5 1HB LEU 5 0.012 -0.470 1.199 36 2HB LEU 5 2HB LEU 5 0.380 -1.881 2.172 37 HG LEU 5 HG LEU 5 -1.513 -0.945 3.743 38 1HD1 LEU 5 1HD1 LEU 5 -2.103 0.425 1.112 39 2HD1 LEU 5 2HD1 LEU 5 -3.328 0.130 2.369 40 3HD1 LEU 5 3HD1 LEU 5 -1.921 1.162 2.721 41 1HD2 LEU 5 1HD2 LEU 5 -2.905 -2.032 1.454 42 2HD2 LEU 5 2HD2 LEU 5 -1.370 -2.889 1.730 43 3HD2 LEU 5 3HD2 LEU 5 -2.569 -2.766 3.040 44 H TYR 6 H TYR 6 0.590 1.944 4.755 45 HA TYR 6 HA TYR 6 0.883 0.503 7.154 46 1HB TYR 6 1HB TYR 6 -0.362 3.184 6.297 47 2HB TYR 6 2HB TYR 6 -0.201 2.747 7.986 48 HD1 TYR 6 HD1 TYR 6 1.317 4.467 5.334 49 HD2 TYR 6 HD2 TYR 6 2.278 1.993 8.690 50 HE1 TYR 6 HE1 TYR 6 3.680 5.405 5.358 51 HE2 TYR 6 HE2 TYR 6 4.637 2.938 8.702 52 HH TYR 6 HH TYR 6 5.913 4.597 7.948 53 H GLN 7 H GLN 7 -0.580 -0.472 8.521 54 HA GLN 7 HA GLN 7 -3.365 0.023 8.139 55 1HB GLN 7 1HB GLN 7 -3.979 -2.332 7.717 56 2HB GLN 7 2HB GLN 7 -2.973 -1.709 6.424 57 1HG GLN 7 1HG GLN 7 -0.988 -2.695 7.934 58 2HG GLN 7 2HG GLN 7 -2.269 -3.695 8.589 59 1HE2 GLN 7 1HE2 GLN 7 -2.181 -5.616 7.720 60 2HE2 GLN 7 2HE2 GLN 7 -1.982 -6.004 6.043 61 H ARG 8 H ARG 8 -4.682 -0.947 9.909 62 HA ARG 8 HA ARG 8 -3.185 -2.179 12.009 63 1HB ARG 8 1HB ARG 8 -3.943 -0.477 13.720 64 2HB ARG 8 2HB ARG 8 -2.792 0.169 12.568 65 1HG ARG 8 1HG ARG 8 -4.282 1.799 12.061 66 2HG ARG 8 2HG ARG 8 -5.328 0.579 11.363 67 1HD ARG 8 1HD ARG 8 -5.942 0.202 13.991 68 2HD ARG 8 2HD ARG 8 -5.474 1.889 14.063 69 HE ARG 8 HE ARG 8 -7.215 1.523 11.817 70 1HH1 ARG 8 2HH2 ARG 8 -7.303 1.526 15.335 71 2HH1 ARG 8 1HH2 ARG 8 -8.963 2.013 15.420 72 1HH2 ARG 8 2HH1 ARG 8 -9.405 2.166 11.929 73 2HH2 ARG 8 1HH1 ARG 8 -10.167 2.379 13.470 74 H ASP 9 H ASP 9 -4.503 -3.802 12.781 75 HA ASP 9 HA ASP 9 -6.275 -5.021 13.099 76 1HB ASP 9 1HB ASP 9 -7.152 -2.287 14.028 77 2HB ASP 9 2HB ASP 9 -8.361 -3.553 13.971 78 H ASP 10 H ASP 10 -6.497 -5.439 10.720 79 HA ASP 10 HA ASP 10 -7.683 -3.987 8.870 80 1HB ASP 10 1HB ASP 10 -6.870 -6.505 8.906 81 2HB ASP 10 2HB ASP 10 -8.557 -6.875 9.204 82 H CYS 11 H CYS 11 -9.627 -2.849 8.867 83 HA CYS 11 HA CYS 11 -11.844 -4.038 10.369 84 1HB CYS 11 1HB CYS 11 -10.840 -1.259 10.151 85 2HB CYS 11 2HB CYS 11 -12.581 -1.427 10.038 86 HG CYS 11 HG CYS 11 -12.700 -3.118 12.163 87 H HIS 12 H HIS 12 -11.116 -1.809 7.574 88 HA HIS 12 HA HIS 12 -12.470 -3.407 5.727 89 1HB HIS 12 1HB HIS 12 -14.346 -2.340 7.250 90 2HB HIS 12 2HB HIS 12 -14.059 -0.920 6.264 91 HD1 HIS 12 HD1 HIS 12 -15.513 -0.783 4.246 92 HD2 HIS 12 HD2 HIS 12 -14.832 -4.752 5.422 93 HE1 HIS 12 HE1 HIS 12 -16.868 -2.244 2.652 94 H LEU 13 H LEU 13 -11.875 0.072 6.597 95 HA LEU 13 HA LEU 13 -11.432 1.038 4.088 96 1HB LEU 13 1HB LEU 13 -11.445 2.115 6.483 97 2HB LEU 13 2HB LEU 13 -9.707 1.920 6.368 98 HG LEU 13 HG LEU 13 -9.860 3.186 4.142 99 1HD1 LEU 13 1HD1 LEU 13 -11.775 4.639 3.814 100 2HD1 LEU 13 2HD1 LEU 13 -12.293 2.937 3.840 101 3HD1 LEU 13 3HD1 LEU 13 -12.564 3.971 5.263 102 1HD2 LEU 13 1HD2 LEU 13 -9.273 4.004 6.622 103 2HD2 LEU 13 2HD2 LEU 13 -9.287 5.097 5.218 104 3HD2 LEU 13 3HD2 LEU 13 -10.688 5.039 6.315 105 H CYS 14 H CYS 14 -9.293 -0.954 6.144 106 HA CYS 14 HA CYS 14 -7.028 -0.581 4.480 107 1HB CYS 14 1HB CYS 14 -7.465 -2.871 6.410 108 2HB CYS 14 2HB CYS 14 -5.945 -2.194 5.863 109 HG CYS 14 HG CYS 14 -5.917 -1.197 8.098 110 H ASP 15 H ASP 15 -9.721 -2.948 4.804 111 HA ASP 15 HA ASP 15 -8.728 -4.894 3.153 112 1HB ASP 15 1HB ASP 15 -11.178 -4.278 4.461 113 2HB ASP 15 2HB ASP 15 -11.606 -4.500 2.776 114 H GLN 16 H GLN 16 -10.932 -2.080 2.439 115 HA GLN 16 HA GLN 16 -11.186 -2.562 -0.255 116 1HB GLN 16 1HB GLN 16 -11.556 -0.206 1.557 117 2HB GLN 16 2HB GLN 16 -11.458 0.142 -0.157 118 1HG GLN 16 1HG GLN 16 -13.166 -2.021 -0.182 119 2HG GLN 16 2HG GLN 16 -13.576 -1.309 1.366 120 1HE2 GLN 16 1HE2 GLN 16 -15.128 0.112 1.332 121 2HE2 GLN 16 2HE2 GLN 16 -15.571 1.162 0.027 122 H ALA 17 H ALA 17 -8.547 -1.137 1.623 123 HA ALA 17 HA ALA 17 -7.299 0.163 -0.576 124 1HB ALA 17 1HB ALA 17 -5.312 -0.108 1.209 125 2HB ALA 17 2HB ALA 17 -6.620 1.080 1.422 126 3HB ALA 17 3HB ALA 17 -6.682 -0.476 2.284 127 H VAL 18 H VAL 18 -6.775 -2.962 1.191 128 HA VAL 18 HA VAL 18 -4.629 -3.792 -0.392 129 HB VAL 18 HB VAL 18 -6.677 -5.287 1.250 130 1HG1 VAL 18 1HG1 VAL 18 -4.288 -6.801 1.007 131 2HG1 VAL 18 2HG1 VAL 18 -5.916 -7.210 0.417 132 3HG1 VAL 18 3HG1 VAL 18 -4.780 -6.337 -0.639 133 1HG2 VAL 18 1HG2 VAL 18 -4.623 -3.599 2.033 134 2HG2 VAL 18 2HG2 VAL 18 -5.405 -4.839 3.042 135 3HG2 VAL 18 3HG2 VAL 18 -3.898 -5.219 2.173 136 H GLU 19 H GLU 19 -8.174 -3.962 -0.803 137 HA GLU 19 HA GLU 19 -8.181 -5.855 -2.820 138 1HB GLU 19 1HB GLU 19 -10.076 -4.338 -1.440 139 2HB GLU 19 2HB GLU 19 -10.240 -3.753 -3.083 140 1HG GLU 19 1HG GLU 19 -9.988 -6.703 -2.914 141 2HG GLU 19 2HG GLU 19 -11.394 -6.081 -2.074 142 H ALA 20 H ALA 20 -8.103 -2.228 -2.963 143 HA ALA 20 HA ALA 20 -8.109 -2.011 -5.727 144 1HB ALA 20 1HB ALA 20 -8.482 -0.168 -4.095 145 2HB ALA 20 2HB ALA 20 -6.755 -0.224 -3.665 146 3HB ALA 20 3HB ALA 20 -7.248 0.245 -5.310 147 H LEU 21 H LEU 21 -5.442 -2.570 -3.377 148 HA LEU 21 HA LEU 21 -3.344 -2.215 -5.178 149 1HB LEU 21 1HB LEU 21 -3.762 -3.219 -2.483 150 2HB LEU 21 2HB LEU 21 -2.526 -4.130 -3.329 151 HG LEU 21 HG LEU 21 -2.454 -1.118 -3.287 152 1HD1 LEU 21 1HD1 LEU 21 -1.813 -0.968 -1.159 153 2HD1 LEU 21 2HD1 LEU 21 -2.467 -2.611 -0.954 154 3HD1 LEU 21 3HD1 LEU 21 -0.735 -2.379 -1.296 155 1HD2 LEU 21 1HD2 LEU 21 0.112 -1.947 -3.225 156 2HD2 LEU 21 2HD2 LEU 21 -0.637 -3.322 -4.071 157 3HD2 LEU 21 3HD2 LEU 21 -0.808 -1.676 -4.725 158 H ALA 22 H ALA 22 -4.984 -5.270 -4.080 159 HA ALA 22 HA ALA 22 -3.604 -6.952 -5.797 160 1HB ALA 22 1HB ALA 22 -6.385 -7.103 -4.573 161 2HB ALA 22 2HB ALA 22 -5.601 -8.458 -5.419 162 3HB ALA 22 3HB ALA 22 -4.878 -7.800 -3.931 163 H GLN 23 H GLN 23 -6.641 -5.053 -6.252 164 HA GLN 23 HA GLN 23 -7.298 -6.127 -8.703 165 1HB GLN 23 1HB GLN 23 -7.889 -3.498 -7.326 166 2HB GLN 23 2HB GLN 23 -8.430 -3.752 -8.973 167 1HG GLN 23 1HG GLN 23 -9.132 -6.139 -7.615 168 2HG GLN 23 2HG GLN 23 -9.505 -4.859 -6.478 169 1HE2 GLN 23 1HE2 GLN 23 -11.604 -6.125 -7.223 170 2HE2 GLN 23 2HE2 GLN 23 -12.559 -5.305 -8.413 171 H ALA 24 H ALA 24 -5.058 -3.482 -7.778 172 HA ALA 24 HA ALA 24 -4.594 -2.746 -10.520 173 1HB ALA 24 1HB ALA 24 -4.374 -1.489 -8.063 174 2HB ALA 24 2HB ALA 24 -2.677 -1.841 -8.472 175 3HB ALA 24 3HB ALA 24 -3.685 -0.893 -9.593 176 H ARG 25 H ARG 25 -3.733 -5.371 -8.592 177 HA ARG 25 HA ARG 25 -2.193 -6.886 -8.667 178 1HB ARG 25 1HB ARG 25 -2.376 -5.923 -11.483 179 2HB ARG 25 2HB ARG 25 -0.899 -6.798 -11.128 180 1HG ARG 25 1HG ARG 25 -2.993 -8.286 -9.887 181 2HG ARG 25 2HG ARG 25 -3.605 -7.833 -11.465 182 1HD ARG 25 1HD ARG 25 -1.029 -8.606 -12.111 183 2HD ARG 25 2HD ARG 25 -1.364 -9.671 -10.760 184 HE ARG 25 HE ARG 25 -2.579 -9.794 -13.398 185 1HH1 ARG 25 2HH2 ARG 25 -3.154 -10.478 -9.995 186 2HH1 ARG 25 1HH2 ARG 25 -4.336 -11.704 -10.309 187 1HH2 ARG 25 2HH1 ARG 25 -4.139 -11.412 -13.814 188 2HH2 ARG 25 1HH1 ARG 25 -4.900 -12.239 -12.496 189 H ALA 26 H ALA 26 -1.370 -4.424 -7.481 190 HA ALA 26 HA ALA 26 0.947 -3.294 -8.399 191 1HB ALA 26 1HB ALA 26 0.710 -2.172 -6.465 192 2HB ALA 26 2HB ALA 26 -0.647 -3.254 -6.072 193 3HB ALA 26 3HB ALA 26 0.997 -3.648 -5.513 194 H GLY 27 H GLY 27 0.612 -6.127 -6.143 195 1HA GLY 27 1HA GLY 27 2.093 -8.023 -6.869 196 2HA GLY 27 2HA GLY 27 3.395 -6.850 -6.836 197 H ALA 28 H ALA 28 4.579 -7.892 -5.164 198 HA ALA 28 HA ALA 28 3.211 -8.297 -2.632 199 1HB ALA 28 1HB ALA 28 4.606 -10.112 -3.296 200 2HB ALA 28 2HB ALA 28 5.940 -9.023 -3.745 201 3HB ALA 28 3HB ALA 28 5.516 -9.252 -2.032 202 H PHE 29 H PHE 29 4.085 -7.376 -0.622 203 HA PHE 29 HA PHE 29 5.992 -5.268 -0.804 204 1HB PHE 29 1HB PHE 29 4.217 -3.570 0.035 205 2HB PHE 29 2HB PHE 29 4.073 -4.018 -1.653 206 HD1 PHE 29 HD1 PHE 29 2.627 -4.478 1.697 207 HD2 PHE 29 HD2 PHE 29 2.175 -5.246 -2.452 208 HE1 PHE 29 HE1 PHE 29 0.248 -5.180 2.086 209 HE2 PHE 29 HE2 PHE 29 -0.203 -5.948 -2.063 210 HZ PHE 29 HZ PHE 29 -1.138 -5.907 0.201 211 H PHE 30 H PHE 30 5.738 -3.920 1.479 212 HA PHE 30 HA PHE 30 5.603 -6.050 3.482 213 1HB PHE 30 1HB PHE 30 7.059 -3.379 3.142 214 2HB PHE 30 2HB PHE 30 6.938 -4.105 4.733 215 HD1 PHE 30 HD1 PHE 30 8.924 -5.072 5.361 216 HD2 PHE 30 HD2 PHE 30 7.679 -5.456 1.323 217 HE1 PHE 30 HE1 PHE 30 10.943 -6.481 4.873 218 HE2 PHE 30 HE2 PHE 30 9.698 -6.865 0.834 219 HZ PHE 30 HZ PHE 30 11.306 -7.360 2.615 220 H SER 31 H SER 31 4.544 -5.684 5.510 221 HA SER 31 HA SER 31 2.606 -3.515 5.332 222 1HB SER 31 1HB SER 31 2.046 -6.154 5.525 223 2HB SER 31 2HB SER 31 2.216 -5.807 7.235 224 HG SER 31 HG SER 31 0.718 -3.820 6.148 225 H VAL 32 H VAL 32 2.351 -2.091 7.113 226 HA VAL 32 HA VAL 32 4.144 -2.582 9.382 227 HB VAL 32 HB VAL 32 3.756 0.020 7.887 228 1HG1 VAL 32 1HG1 VAL 32 4.576 1.116 9.652 229 2HG1 VAL 32 2HG1 VAL 32 4.380 -0.380 10.596 230 3HG1 VAL 32 3HG1 VAL 32 5.934 -0.025 9.803 231 1HG2 VAL 32 1HG2 VAL 32 5.639 -0.394 6.737 232 2HG2 VAL 32 2HG2 VAL 32 6.480 -1.032 8.170 233 3HG2 VAL 32 3HG2 VAL 32 5.412 -2.092 7.219 234 H PHE 33 H PHE 33 3.267 -2.125 11.392 235 HA PHE 33 HA PHE 33 0.443 -1.391 11.324 236 1HB PHE 33 1HB PHE 33 2.166 -2.420 13.645 237 2HB PHE 33 2HB PHE 33 0.421 -2.516 13.514 238 HD1 PHE 33 HD1 PHE 33 3.150 -4.492 13.541 239 HD2 PHE 33 HD2 PHE 33 -0.189 -3.713 11.039 240 HE1 PHE 33 HE1 PHE 33 3.350 -6.793 12.557 241 HE2 PHE 33 HE2 PHE 33 0.012 -6.014 10.056 242 HZ PHE 33 HZ PHE 33 1.779 -7.526 10.826 243 H ILE 34 H ILE 34 -0.126 0.666 11.828 244 HA ILE 34 HA ILE 34 1.798 2.472 12.868 245 HB ILE 34 HB ILE 34 0.087 4.111 12.669 246 1HG1 ILE 34 1HG1 ILE 34 -2.074 2.214 11.913 247 2HG1 ILE 34 2HG1 ILE 34 -1.664 2.283 13.615 248 1HG2 ILE 34 1HG2 ILE 34 0.792 2.316 10.550 249 2HG2 ILE 34 2HG2 ILE 34 -0.871 2.897 10.296 250 3HG2 ILE 34 3HG2 ILE 34 0.460 4.064 10.485 251 1HD1 ILE 34 1HD1 ILE 34 -2.075 4.670 13.716 252 2HD1 ILE 34 2HD1 ILE 34 -2.208 4.775 11.944 253 3HD1 ILE 34 3HD1 ILE 34 -3.462 3.928 12.882 254 H ASP 35 H ASP 35 -0.183 0.074 14.291 255 HA ASP 35 HA ASP 35 -1.021 1.312 16.588 256 1HB ASP 35 1HB ASP 35 -1.345 -0.885 17.456 257 2HB ASP 35 2HB ASP 35 -1.528 -1.059 15.722 258 H ASP 36 H ASP 36 -0.031 0.519 18.891 259 HA ASP 36 HA ASP 36 1.554 0.940 20.329 260 1HB ASP 36 1HB ASP 36 3.207 -0.681 18.335 261 2HB ASP 36 2HB ASP 36 3.690 -0.367 19.989 262 H ASP 37 H ASP 37 1.245 3.011 18.289 263 HA ASP 37 HA ASP 37 3.738 4.303 18.643 264 1HB ASP 37 1HB ASP 37 3.226 2.899 16.160 265 2HB ASP 37 2HB ASP 37 3.212 4.620 15.829 266 H ALA 38 H ALA 38 2.490 5.977 19.648 267 HA ALA 38 HA ALA 38 0.062 6.922 18.594 268 1HB ALA 38 1HB ALA 38 0.141 7.588 20.753 269 2HB ALA 38 2HB ALA 38 1.919 7.517 20.798 270 3HB ALA 38 3HB ALA 38 1.103 8.963 20.159 271 H ALA 39 H ALA 39 3.491 7.698 18.023 272 HA ALA 39 HA ALA 39 3.143 10.195 16.838 273 1HB ALA 39 1HB ALA 39 5.334 9.566 17.442 274 2HB ALA 39 2HB ALA 39 5.205 7.988 16.629 275 3HB ALA 39 3HB ALA 39 5.347 9.478 15.665 276 H LEU 40 H LEU 40 3.142 6.850 15.445 277 HA LEU 40 HA LEU 40 2.704 7.764 12.805 278 1HB LEU 40 1HB LEU 40 2.264 5.058 14.075 279 2HB LEU 40 2HB LEU 40 2.217 5.387 12.354 280 HG LEU 40 HG LEU 40 4.631 5.706 14.160 281 1HD1 LEU 40 1HD1 LEU 40 5.356 3.663 13.533 282 2HD1 LEU 40 2HD1 LEU 40 3.617 3.361 13.300 283 3HD1 LEU 40 3HD1 LEU 40 4.642 3.781 11.907 284 1HD2 LEU 40 1HD2 LEU 40 5.882 6.069 12.042 285 2HD2 LEU 40 2HD2 LEU 40 4.328 6.163 11.181 286 3HD2 LEU 40 3HD2 LEU 40 4.730 7.370 12.425 287 H GLU 41 H GLU 41 0.603 6.804 15.546 288 HA GLU 41 HA GLU 41 -1.741 6.640 14.079 289 1HB GLU 41 1HB GLU 41 -1.087 7.125 16.993 290 2HB GLU 41 2HB GLU 41 -2.749 7.247 16.453 291 1HG GLU 41 1HG GLU 41 -1.185 4.827 15.576 292 2HG GLU 41 2HG GLU 41 -1.667 4.907 17.259 293 H SER 42 H SER 42 -0.158 9.392 15.809 294 HA SER 42 HA SER 42 -2.265 11.166 15.243 295 1HB SER 42 1HB SER 42 0.065 11.166 16.832 296 2HB SER 42 2HB SER 42 0.342 12.445 15.667 297 HG SER 42 HG SER 42 -0.798 13.134 17.641 298 H ALA 43 H ALA 43 0.672 10.082 13.569 299 HA ALA 43 HA ALA 43 0.806 12.262 11.756 300 1HB ALA 43 1HB ALA 43 2.738 10.840 12.324 301 2HB ALA 43 2HB ALA 43 1.917 9.429 11.614 302 3HB ALA 43 3HB ALA 43 2.406 10.790 10.576 303 H TYR 44 H TYR 44 -0.656 8.959 11.714 304 HA TYR 44 HA TYR 44 -1.986 9.717 9.202 305 1HB TYR 44 1HB TYR 44 -1.253 7.065 10.587 306 2HB TYR 44 2HB TYR 44 -2.247 7.121 9.145 307 HD1 TYR 44 HD1 TYR 44 -0.917 9.084 7.440 308 HD2 TYR 44 HD2 TYR 44 0.791 6.118 10.007 309 HE1 TYR 44 HE1 TYR 44 1.179 9.035 6.002 310 HE2 TYR 44 HE2 TYR 44 2.881 6.079 8.560 311 HH TYR 44 HH TYR 44 2.984 7.694 5.500 312 H GLY 45 H GLY 45 -2.602 7.417 11.950 313 1HA GLY 45 1HA GLY 45 -4.449 7.033 13.170 314 2HA GLY 45 2HA GLY 45 -4.847 8.728 12.968 315 H LEU 46 H LEU 46 -6.082 9.414 11.033 316 HA LEU 46 HA LEU 46 -8.043 7.425 10.371 317 1HB LEU 46 1HB LEU 46 -7.760 10.343 10.247 318 2HB LEU 46 2HB LEU 46 -8.624 9.657 8.885 319 HG LEU 46 HG LEU 46 -10.168 10.348 10.623 320 1HD1 LEU 46 1HD1 LEU 46 -11.451 8.697 9.890 321 2HD1 LEU 46 2HD1 LEU 46 -10.021 7.703 9.522 322 3HD1 LEU 46 3HD1 LEU 46 -10.763 7.630 11.138 323 1HD2 LEU 46 1HD2 LEU 46 -9.109 10.303 12.660 324 2HD2 LEU 46 2HD2 LEU 46 -10.125 8.847 12.779 325 3HD2 LEU 46 3HD2 LEU 46 -8.396 8.696 12.385 326 H ARG 47 H ARG 47 -5.183 8.934 8.910 327 HA ARG 47 HA ARG 47 -5.878 7.839 6.349 328 1HB ARG 47 1HB ARG 47 -3.381 9.353 7.267 329 2HB ARG 47 2HB ARG 47 -3.742 8.934 5.604 330 1HG ARG 47 1HG ARG 47 -4.926 10.856 5.414 331 2HG ARG 47 2HG ARG 47 -6.085 10.225 6.568 332 1HD ARG 47 1HD ARG 47 -5.301 11.551 8.267 333 2HD ARG 47 2HD ARG 47 -3.623 11.245 7.863 334 HE ARG 47 HE ARG 47 -4.378 12.868 5.797 335 1HH1 ARG 47 2HH2 ARG 47 -4.831 13.156 9.275 336 2HH1 ARG 47 1HH2 ARG 47 -4.830 14.888 9.261 337 1HH2 ARG 47 2HH1 ARG 47 -4.376 15.153 5.778 338 2HH2 ARG 47 1HH1 ARG 47 -4.569 16.032 7.258 339 H VAL 48 H VAL 48 -5.541 5.906 8.471 340 HA VAL 48 HA VAL 48 -3.000 4.850 8.701 341 HB VAL 48 HB VAL 48 -5.779 3.999 9.131 342 1HG1 VAL 48 1HG1 VAL 48 -5.043 2.132 7.720 343 2HG1 VAL 48 2HG1 VAL 48 -3.616 1.898 8.759 344 3HG1 VAL 48 3HG1 VAL 48 -5.248 1.616 9.411 345 1HG2 VAL 48 1HG2 VAL 48 -3.407 3.194 10.794 346 2HG2 VAL 48 2HG2 VAL 48 -3.934 4.894 10.772 347 3HG2 VAL 48 3HG2 VAL 48 -5.059 3.619 11.299 348 HA PRO 49 HA PRO 49 -3.996 2.378 4.790 349 1HB PRO 49 1HB PRO 49 -6.148 3.065 3.251 350 2HB PRO 49 2HB PRO 49 -6.195 1.786 4.449 351 1HG PRO 49 1HG PRO 49 -7.345 4.505 4.596 352 2HG PRO 49 2HG PRO 49 -7.730 3.097 5.565 353 1HD PRO 49 1HD PRO 49 -6.132 5.342 6.360 354 2HD PRO 49 2HD PRO 49 -6.422 3.882 7.284 355 H VAL 50 H VAL 50 -2.058 3.809 4.673 356 HA VAL 50 HA VAL 50 -2.437 5.565 2.346 357 HB VAL 50 HB VAL 50 -0.844 5.881 4.869 358 1HG1 VAL 50 1HG1 VAL 50 0.015 6.622 2.159 359 2HG1 VAL 50 2HG1 VAL 50 -0.024 7.993 3.293 360 3HG1 VAL 50 3HG1 VAL 50 0.941 6.547 3.677 361 1HG2 VAL 50 1HG2 VAL 50 -1.983 7.883 5.126 362 2HG2 VAL 50 2HG2 VAL 50 -2.301 8.052 3.383 363 3HG2 VAL 50 3HG2 VAL 50 -3.216 6.865 4.343 364 H LEU 51 H LEU 51 -1.248 5.073 0.558 365 HA LEU 51 HA LEU 51 0.664 2.885 0.865 366 1HB LEU 51 1HB LEU 51 -1.391 3.471 -0.988 367 2HB LEU 51 2HB LEU 51 0.124 3.620 -1.857 368 HG LEU 51 HG LEU 51 -0.801 1.191 -0.297 369 1HD1 LEU 51 1HD1 LEU 51 -0.851 1.922 -3.205 370 2HD1 LEU 51 2HD1 LEU 51 -0.653 0.221 -2.720 371 3HD1 LEU 51 3HD1 LEU 51 -2.092 1.132 -2.204 372 1HD2 LEU 51 1HD2 LEU 51 1.662 1.537 -0.234 373 2HD2 LEU 51 2HD2 LEU 51 1.166 0.055 -1.085 374 3HD2 LEU 51 3HD2 LEU 51 1.678 1.485 -2.013 375 H ARG 52 H ARG 52 2.821 3.231 0.728 376 HA ARG 52 HA ARG 52 3.610 5.768 -0.461 377 1HB ARG 52 1HB ARG 52 5.403 5.959 1.229 378 2HB ARG 52 2HB ARG 52 3.849 5.825 2.029 379 1HG ARG 52 1HG ARG 52 4.217 3.476 2.543 380 2HG ARG 52 2HG ARG 52 5.625 3.403 1.502 381 1HD ARG 52 1HD ARG 52 5.740 5.484 3.649 382 2HD ARG 52 2HD ARG 52 5.744 3.826 4.217 383 HE ARG 52 HE ARG 52 7.602 4.172 2.015 384 1HH1 ARG 52 2HH2 ARG 52 7.214 4.722 5.469 385 2HH1 ARG 52 1HH2 ARG 52 8.914 4.691 5.794 386 1HH2 ARG 52 2HH1 ARG 52 9.846 4.131 2.444 387 2HH2 ARG 52 1HH1 ARG 52 10.422 4.352 4.062 388 H ASP 53 H ASP 53 5.741 5.746 -1.539 389 HA ASP 53 HA ASP 53 6.482 3.028 -2.275 390 1HB ASP 53 1HB ASP 53 6.144 5.549 -3.760 391 2HB ASP 53 2HB ASP 53 7.713 4.832 -4.067 392 HA PRO 54 HA PRO 54 10.529 3.878 -0.807 393 1HB PRO 54 1HB PRO 54 12.193 2.660 -2.600 394 2HB PRO 54 2HB PRO 54 11.318 1.786 -1.358 395 1HG PRO 54 1HG PRO 54 10.769 1.930 -4.260 396 2HG PRO 54 2HG PRO 54 10.193 0.759 -3.090 397 1HD PRO 54 1HD PRO 54 8.704 2.938 -4.212 398 2HD PRO 54 2HD PRO 54 8.167 1.838 -2.958 399 H MET 55 H MET 55 9.913 4.854 -4.063 400 HA MET 55 HA MET 55 12.209 6.312 -4.465 401 1HB MET 55 1HB MET 55 9.535 6.017 -5.628 402 2HB MET 55 2HB MET 55 10.002 7.706 -5.672 403 1HG MET 55 1HG MET 55 12.343 6.553 -6.524 404 2HG MET 55 2HG MET 55 11.195 5.368 -7.114 405 1HE MET 55 1HE MET 55 12.569 9.166 -8.234 406 2HE MET 55 2HE MET 55 10.998 9.829 -7.723 407 3HE MET 55 3HE MET 55 11.982 8.887 -6.577 408 H GLY 56 H GLY 56 9.144 7.163 -2.786 409 1HA GLY 56 1HA GLY 56 9.555 8.686 -0.867 410 2HA GLY 56 2HA GLY 56 10.381 9.734 -2.002 411 H ARG 57 H ARG 57 7.366 7.802 -2.522 412 HA ARG 57 HA ARG 57 5.895 10.289 -2.544 413 1HB ARG 57 1HB ARG 57 5.560 8.245 -4.784 414 2HB ARG 57 2HB ARG 57 4.895 9.865 -4.713 415 1HG ARG 57 1HG ARG 57 7.439 10.612 -4.559 416 2HG ARG 57 2HG ARG 57 7.762 9.019 -5.214 417 1HD ARG 57 1HD ARG 57 6.766 9.501 -7.274 418 2HD ARG 57 2HD ARG 57 5.629 10.642 -6.585 419 HE ARG 57 HE ARG 57 8.300 11.667 -6.280 420 1HH1 ARG 57 2HH2 ARG 57 5.850 11.109 -8.744 421 2HH1 ARG 57 1HH2 ARG 57 6.414 12.382 -9.774 422 1HH2 ARG 57 2HH1 ARG 57 9.043 13.347 -7.639 423 2HH2 ARG 57 1HH1 ARG 57 8.242 13.664 -9.141 424 H GLU 58 H GLU 58 3.496 9.923 -2.379 425 HA GLU 58 HA GLU 58 2.826 7.206 -1.614 426 1HB GLU 58 1HB GLU 58 1.434 8.333 0.308 427 2HB GLU 58 2HB GLU 58 3.145 8.039 0.548 428 1HG GLU 58 1HG GLU 58 2.816 10.295 1.257 429 2HG GLU 58 2HG GLU 58 3.553 10.432 -0.327 430 H LEU 59 H LEU 59 0.543 6.690 -1.853 431 HA LEU 59 HA LEU 59 -0.813 8.620 -3.596 432 1HB LEU 59 1HB LEU 59 -0.152 6.318 -4.442 433 2HB LEU 59 2HB LEU 59 -1.361 5.665 -3.355 434 HG LEU 59 HG LEU 59 -3.067 7.130 -4.530 435 1HD1 LEU 59 1HD1 LEU 59 -0.781 8.232 -5.728 436 2HD1 LEU 59 2HD1 LEU 59 -1.608 7.320 -7.014 437 3HD1 LEU 59 3HD1 LEU 59 -2.485 8.576 -6.109 438 1HD2 LEU 59 1HD2 LEU 59 -2.145 4.594 -5.087 439 2HD2 LEU 59 2HD2 LEU 59 -3.629 5.335 -5.733 440 3HD2 LEU 59 3HD2 LEU 59 -2.124 5.383 -6.682 441 H ASP 60 H ASP 60 -2.965 9.229 -3.181 442 HA ASP 60 HA ASP 60 -3.643 9.507 -0.566 443 1HB ASP 60 1HB ASP 60 -4.705 10.226 -3.071 444 2HB ASP 60 2HB ASP 60 -5.990 9.283 -2.343 445 H TRP 61 H TRP 61 -5.492 8.494 0.676 446 HA TRP 61 HA TRP 61 -5.371 5.714 0.670 447 1HB TRP 61 1HB TRP 61 -6.092 6.264 2.692 448 2HB TRP 61 2HB TRP 61 -6.701 7.817 2.155 449 HD1 TRP 61 HD1 TRP 61 -9.196 7.923 2.919 450 HE1 TRP 61 HE1 TRP 61 -11.347 6.396 2.872 451 HE3 TRP 61 HE3 TRP 61 -6.892 3.836 0.958 452 HZ2 TRP 61 HZ2 TRP 61 -11.833 3.710 2.038 453 HZ3 TRP 61 HZ3 TRP 61 -8.278 1.802 0.558 454 HH2 TRP 61 HH2 TRP 61 -10.666 1.697 1.065 455 HA PRO 62 HA PRO 62 -9.477 5.979 -1.687 456 1HB PRO 62 1HB PRO 62 -10.395 8.386 -2.601 457 2HB PRO 62 2HB PRO 62 -10.916 7.674 -1.087 458 1HG PRO 62 1HG PRO 62 -9.052 9.925 -1.532 459 2HG PRO 62 2HG PRO 62 -9.905 9.479 -0.067 460 1HD PRO 62 1HD PRO 62 -7.134 9.018 -0.648 461 2HD PRO 62 2HD PRO 62 -8.014 8.471 0.765 462 H PHE 63 H PHE 63 -8.855 4.806 -3.390 463 HA PHE 63 HA PHE 63 -8.109 6.370 -5.708 464 1HB PHE 63 1HB PHE 63 -6.189 4.478 -5.901 465 2HB PHE 63 2HB PHE 63 -5.887 5.950 -4.998 466 HD1 PHE 63 HD1 PHE 63 -7.978 3.074 -3.929 467 HD2 PHE 63 HD2 PHE 63 -4.350 5.209 -3.390 468 HE1 PHE 63 HE1 PHE 63 -7.482 1.715 -1.878 469 HE2 PHE 63 HE2 PHE 63 -3.854 3.850 -1.339 470 HZ PHE 63 HZ PHE 63 -5.426 2.119 -0.608 471 H ASP 64 H ASP 64 -7.412 4.413 -7.482 472 HA ASP 64 HA ASP 64 -9.576 2.478 -7.223 473 1HB ASP 64 1HB ASP 64 -8.665 3.718 -9.853 474 2HB ASP 64 2HB ASP 64 -10.085 2.726 -9.586 475 H ALA 65 H ALA 65 -9.082 0.910 -9.475 476 HA ALA 65 HA ALA 65 -6.615 -0.354 -8.769 477 1HB ALA 65 1HB ALA 65 -8.054 -1.218 -11.211 478 2HB ALA 65 2HB ALA 65 -7.549 -2.158 -9.787 479 3HB ALA 65 3HB ALA 65 -9.043 -1.192 -9.732 480 HA PRO 66 HA PRO 66 -5.522 1.270 -13.081 481 1HB PRO 66 1HB PRO 66 -7.137 3.106 -14.300 482 2HB PRO 66 2HB PRO 66 -7.226 1.386 -14.625 483 1HG PRO 66 1HG PRO 66 -9.063 3.069 -13.033 484 2HG PRO 66 2HG PRO 66 -9.344 1.480 -13.716 485 1HD PRO 66 1HD PRO 66 -8.789 2.093 -10.970 486 2HD PRO 66 2HD PRO 66 -8.956 0.497 -11.675 487 H ARG 67 H ARG 67 -6.840 3.326 -10.692 488 HA ARG 67 HA ARG 67 -5.198 5.510 -11.493 489 1HB ARG 67 1HB ARG 67 -7.532 5.321 -10.052 490 2HB ARG 67 2HB ARG 67 -6.380 5.452 -8.738 491 1HG ARG 67 1HG ARG 67 -5.757 7.620 -9.301 492 2HG ARG 67 2HG ARG 67 -6.007 7.368 -11.017 493 1HD ARG 67 1HD ARG 67 -8.565 7.090 -9.694 494 2HD ARG 67 2HD ARG 67 -7.813 8.564 -9.115 495 HE ARG 67 HE ARG 67 -8.920 8.162 -11.729 496 1HH1 ARG 67 2HH2 ARG 67 -6.145 9.654 -10.162 497 2HH1 ARG 67 1HH2 ARG 67 -5.924 10.844 -11.401 498 1HH2 ARG 67 2HH1 ARG 67 -8.629 9.731 -13.364 499 2HH2 ARG 67 1HH1 ARG 67 -7.346 10.888 -13.235 500 H LEU 68 H LEU 68 -5.141 2.800 -9.173 501 HA LEU 68 HA LEU 68 -2.913 3.859 -7.708 502 1HB LEU 68 1HB LEU 68 -4.744 2.426 -6.767 503 2HB LEU 68 2HB LEU 68 -4.085 1.077 -7.671 504 HG LEU 68 HG LEU 68 -1.888 2.086 -6.268 505 1HD1 LEU 68 1HD1 LEU 68 -3.917 3.280 -4.992 506 2HD1 LEU 68 2HD1 LEU 68 -3.932 1.717 -4.141 507 3HD1 LEU 68 3HD1 LEU 68 -2.451 2.705 -4.162 508 1HD2 LEU 68 1HD2 LEU 68 -2.153 -0.009 -4.921 509 2HD2 LEU 68 2HD2 LEU 68 -3.719 -0.263 -5.727 510 3HD2 LEU 68 3HD2 LEU 68 -2.218 -0.242 -6.684 511 H ARG 69 H ARG 69 -3.506 1.484 -10.338 512 HA ARG 69 HA ARG 69 -0.924 0.476 -10.352 513 1HB ARG 69 1HB ARG 69 -2.821 -0.648 -11.481 514 2HB ARG 69 2HB ARG 69 -2.994 0.693 -12.595 515 1HG ARG 69 1HG ARG 69 -1.736 -0.822 -13.875 516 2HG ARG 69 2HG ARG 69 -0.480 0.207 -13.216 517 1HD ARG 69 1HD ARG 69 -0.534 -1.592 -11.213 518 2HD ARG 69 2HD ARG 69 -1.207 -2.625 -12.459 519 HE ARG 69 HE ARG 69 1.210 -1.175 -13.295 520 1HH1 ARG 69 2HH2 ARG 69 -0.053 -4.102 -11.804 521 2HH1 ARG 69 1HH2 ARG 69 1.357 -5.044 -12.159 522 1HH2 ARG 69 2HH1 ARG 69 3.070 -2.417 -13.763 523 2HH2 ARG 69 1HH1 ARG 69 3.145 -4.079 -13.280 524 H ALA 70 H ALA 70 -2.537 3.136 -12.210 525 HA ALA 70 HA ALA 70 -0.459 3.752 -13.917 526 1HB ALA 70 1HB ALA 70 -2.831 4.609 -13.959 527 2HB ALA 70 2HB ALA 70 -2.405 5.697 -12.617 528 3HB ALA 70 3HB ALA 70 -1.597 5.869 -14.194 529 H TRP 71 H TRP 71 -0.945 4.470 -10.459 530 HA TRP 71 HA TRP 71 1.139 6.416 -10.352 531 1HB TRP 71 1HB TRP 71 -0.705 6.489 -8.794 532 2HB TRP 71 2HB TRP 71 -0.337 4.879 -8.209 533 HD1 TRP 71 HD1 TRP 71 1.256 8.433 -8.176 534 HE1 TRP 71 HE1 TRP 71 2.815 8.736 -6.069 535 HE3 TRP 71 HE3 TRP 71 0.856 3.637 -6.535 536 HZ2 TRP 71 HZ2 TRP 71 3.687 6.976 -3.999 537 HZ3 TRP 71 HZ3 TRP 71 2.093 3.012 -4.463 538 HH2 TRP 71 HH2 TRP 71 3.471 4.592 -3.207 539 H LEU 72 H LEU 72 0.752 2.881 -9.783 540 HA LEU 72 HA LEU 72 3.163 2.356 -8.579 541 1HB LEU 72 1HB LEU 72 1.203 0.852 -10.213 542 2HB LEU 72 2HB LEU 72 2.802 0.146 -10.080 543 HG LEU 72 HG LEU 72 1.079 -0.636 -8.404 544 1HD1 LEU 72 1HD1 LEU 72 3.111 -1.335 -7.706 545 2HD1 LEU 72 2HD1 LEU 72 3.838 0.285 -7.825 546 3HD1 LEU 72 3HD1 LEU 72 2.829 -0.137 -6.420 547 1HD2 LEU 72 1HD2 LEU 72 1.362 1.302 -6.402 548 2HD2 LEU 72 2HD2 LEU 72 0.951 2.206 -7.880 549 3HD2 LEU 72 3HD2 LEU 72 -0.109 0.891 -7.317 550 H ASP 73 H ASP 73 2.398 2.404 -12.129 551 HA ASP 73 HA ASP 73 4.955 1.841 -12.948 552 1HB ASP 73 1HB ASP 73 2.469 2.902 -14.111 553 2HB ASP 73 2HB ASP 73 3.880 3.605 -14.878 554 H ALA 74 H ALA 74 3.264 4.948 -12.201 555 HA ALA 74 HA ALA 74 5.030 6.780 -13.147 556 1HB ALA 74 1HB ALA 74 3.365 7.960 -12.192 557 2HB ALA 74 2HB ALA 74 2.951 6.618 -11.099 558 3HB ALA 74 3HB ALA 74 4.232 7.769 -10.649 559 H ALA 75 H ALA 75 5.468 4.453 -10.541 560 HA ALA 75 HA ALA 75 8.083 5.687 -10.002 561 1HB ALA 75 1HB ALA 75 7.280 4.083 -7.791 562 2HB ALA 75 2HB ALA 75 7.467 5.853 -7.849 563 3HB ALA 75 3HB ALA 75 5.890 5.112 -8.214 564 HA PRO 76 HA PRO 76 9.755 1.800 -10.899 565 1HB PRO 76 1HB PRO 76 11.842 1.540 -9.154 566 2HB PRO 76 2HB PRO 76 11.919 2.527 -10.600 567 1HG PRO 76 1HG PRO 76 11.642 3.382 -7.783 568 2HG PRO 76 2HG PRO 76 12.141 4.326 -9.173 569 1HD PRO 76 1HD PRO 76 9.578 4.388 -7.886 570 2HD PRO 76 2HD PRO 76 10.040 5.244 -9.344 571 H HIS 77 H HIS 77 10.635 -0.406 -9.955 572 HA HIS 77 HA HIS 77 8.957 -1.040 -7.659 573 1HB HIS 77 1HB HIS 77 8.254 -1.712 -10.285 574 2HB HIS 77 2HB HIS 77 8.945 -3.183 -9.631 575 HD1 HIS 77 HD1 HIS 77 7.761 -4.203 -7.459 576 HD2 HIS 77 HD2 HIS 77 5.730 -1.036 -9.314 577 HE1 HIS 77 HE1 HIS 77 5.384 -4.239 -6.534 578 H ALA 78 H ALA 78 9.558 -3.320 -6.797 579 HA ALA 78 HA ALA 78 12.107 -4.338 -7.534 580 1HB ALA 78 1HB ALA 78 11.849 -2.420 -5.235 581 2HB ALA 78 2HB ALA 78 12.941 -3.815 -5.063 582 3HB ALA 78 3HB ALA 78 13.191 -2.646 -6.382 Start of MODEL 4 1 1H MET 1 1H MET 1 11.966 -0.774 1.826 2 HA MET 1 HA MET 1 13.480 -0.251 -0.587 3 1HB MET 1 1HB MET 1 13.783 -2.231 1.203 4 2HB MET 1 2HB MET 1 12.483 -2.984 0.301 5 1HG MET 1 1HG MET 1 13.786 -2.879 -1.783 6 2HG MET 1 2HG MET 1 15.043 -1.941 -1.001 7 1HE MET 1 1HE MET 1 16.839 -2.994 0.749 8 2HE MET 1 2HE MET 1 17.444 -4.490 -0.002 9 3HE MET 1 3HE MET 1 17.061 -3.077 -1.015 10 H ALA 2 H ALA 2 10.486 -2.061 0.427 11 HA ALA 2 HA ALA 2 9.501 -1.725 -2.311 12 1HB ALA 2 1HB ALA 2 9.655 -3.955 -0.698 13 2HB ALA 2 2HB ALA 2 7.982 -3.414 -0.420 14 3HB ALA 2 3HB ALA 2 8.542 -3.766 -2.073 15 H LEU 3 H LEU 3 6.736 -1.987 -1.773 16 HA LEU 3 HA LEU 3 6.146 0.685 -1.059 17 1HB LEU 3 1HB LEU 3 4.380 -1.710 -1.574 18 2HB LEU 3 2HB LEU 3 3.792 -0.076 -1.344 19 HG LEU 3 HG LEU 3 5.811 -0.646 -3.498 20 1HD1 LEU 3 1HD1 LEU 3 2.897 -1.372 -3.514 21 2HD1 LEU 3 2HD1 LEU 3 3.702 -0.847 -5.012 22 3HD1 LEU 3 3HD1 LEU 3 4.300 -2.275 -4.134 23 1HD2 LEU 3 1HD2 LEU 3 5.558 1.582 -3.604 24 2HD2 LEU 3 2HD2 LEU 3 4.052 1.191 -4.470 25 3HD2 LEU 3 3HD2 LEU 3 4.008 1.556 -2.729 26 H THR 4 H THR 4 4.158 1.008 0.574 27 HA THR 4 HA THR 4 4.310 -0.691 2.891 28 HB THR 4 HB THR 4 5.402 2.173 2.952 29 HG1 THR 4 HG1 THR 4 7.315 0.811 3.622 30 1HG2 THR 4 1HG2 THR 4 4.341 1.733 5.100 31 2HG2 THR 4 2HG2 THR 4 4.947 0.059 5.116 32 3HG2 THR 4 3HG2 THR 4 6.080 1.418 5.316 33 H LEU 5 H LEU 5 2.189 -1.008 3.180 34 HA LEU 5 HA LEU 5 0.480 1.370 2.977 35 1HB LEU 5 1HB LEU 5 -0.287 -0.098 1.377 36 2HB LEU 5 2HB LEU 5 0.075 -1.519 2.336 37 HG LEU 5 HG LEU 5 -1.830 -0.494 3.906 38 1HD1 LEU 5 1HD1 LEU 5 -2.647 0.475 1.153 39 2HD1 LEU 5 2HD1 LEU 5 -3.607 0.558 2.650 40 3HD1 LEU 5 3HD1 LEU 5 -2.116 1.518 2.494 41 1HD2 LEU 5 1HD2 LEU 5 -2.188 -2.658 3.257 42 2HD2 LEU 5 2HD2 LEU 5 -3.473 -1.840 2.336 43 3HD2 LEU 5 3HD2 LEU 5 -1.955 -2.302 1.528 44 H TYR 6 H TYR 6 0.421 2.259 5.000 45 HA TYR 6 HA TYR 6 0.640 0.747 7.356 46 1HB TYR 6 1HB TYR 6 -0.607 3.485 6.681 47 2HB TYR 6 2HB TYR 6 -0.187 2.986 8.308 48 HD1 TYR 6 HD1 TYR 6 1.084 4.231 5.117 49 HD2 TYR 6 HD2 TYR 6 2.192 2.771 8.983 50 HE1 TYR 6 HE1 TYR 6 3.429 5.164 4.806 51 HE2 TYR 6 HE2 TYR 6 4.532 3.709 8.659 52 HH TYR 6 HH TYR 6 5.994 4.240 6.646 53 H GLN 7 H GLN 7 -0.850 -0.254 8.658 54 HA GLN 7 HA GLN 7 -3.639 0.305 8.120 55 1HB GLN 7 1HB GLN 7 -2.532 -2.534 8.254 56 2HB GLN 7 2HB GLN 7 -4.210 -2.087 8.019 57 1HG GLN 7 1HG GLN 7 -3.769 -1.145 5.843 58 2HG GLN 7 2HG GLN 7 -2.037 -1.138 6.111 59 1HE2 GLN 7 1HE2 GLN 7 -4.871 -3.124 5.555 60 2HE2 GLN 7 2HE2 GLN 7 -4.064 -4.543 4.975 61 H ARG 8 H ARG 8 -5.056 -0.870 9.887 62 HA ARG 8 HA ARG 8 -3.524 -1.079 12.337 63 1HB ARG 8 1HB ARG 8 -5.173 0.312 13.551 64 2HB ARG 8 2HB ARG 8 -4.468 1.231 12.236 65 1HG ARG 8 1HG ARG 8 -6.430 0.896 10.835 66 2HG ARG 8 2HG ARG 8 -7.096 -0.288 11.942 67 1HD ARG 8 1HD ARG 8 -7.983 1.318 13.311 68 2HD ARG 8 2HD ARG 8 -6.520 2.282 13.279 69 HE ARG 8 HE ARG 8 -7.637 2.588 10.726 70 1HH1 ARG 8 2HH2 ARG 8 -8.671 3.201 14.033 71 2HH1 ARG 8 1HH2 ARG 8 -9.711 4.517 13.600 72 1HH2 ARG 8 2HH1 ARG 8 -9.008 4.325 10.153 73 2HH2 ARG 8 1HH1 ARG 8 -9.903 5.161 11.378 74 H ASP 9 H ASP 9 -5.340 -1.756 14.193 75 HA ASP 9 HA ASP 9 -6.023 -4.287 13.702 76 1HB ASP 9 1HB ASP 9 -6.157 -3.365 15.938 77 2HB ASP 9 2HB ASP 9 -7.375 -2.200 15.460 78 H ASP 10 H ASP 10 -8.416 -1.525 13.763 79 HA ASP 10 HA ASP 10 -10.553 -2.826 12.802 80 1HB ASP 10 1HB ASP 10 -10.036 -0.257 13.437 81 2HB ASP 10 2HB ASP 10 -9.976 -0.079 11.695 82 H CYS 11 H CYS 11 -10.816 -4.018 10.909 83 HA CYS 11 HA CYS 11 -9.231 -3.176 8.597 84 1HB CYS 11 1HB CYS 11 -9.530 -5.532 7.797 85 2HB CYS 11 2HB CYS 11 -8.571 -5.377 9.255 86 HG CYS 11 HG CYS 11 -10.272 -6.114 10.951 87 H HIS 12 H HIS 12 -10.474 -2.042 7.146 88 HA HIS 12 HA HIS 12 -12.875 -3.143 6.175 89 1HB HIS 12 1HB HIS 12 -13.774 -2.283 8.283 90 2HB HIS 12 2HB HIS 12 -13.137 -0.688 7.933 91 HD1 HIS 12 HD1 HIS 12 -16.242 -2.265 7.959 92 HD2 HIS 12 HD2 HIS 12 -14.265 0.027 5.054 93 HE1 HIS 12 HE1 HIS 12 -18.051 -1.385 6.390 94 H LEU 13 H LEU 13 -11.545 0.201 6.724 95 HA LEU 13 HA LEU 13 -11.969 0.900 4.013 96 1HB LEU 13 1HB LEU 13 -11.926 2.380 6.100 97 2HB LEU 13 2HB LEU 13 -10.179 2.316 5.977 98 HG LEU 13 HG LEU 13 -10.566 3.143 3.525 99 1HD1 LEU 13 1HD1 LEU 13 -12.556 4.619 3.325 100 2HD1 LEU 13 2HD1 LEU 13 -12.956 2.886 3.413 101 3HD1 LEU 13 3HD1 LEU 13 -13.180 3.926 4.841 102 1HD2 LEU 13 1HD2 LEU 13 -11.119 5.509 4.980 103 2HD2 LEU 13 2HD2 LEU 13 -10.153 4.454 6.040 104 3HD2 LEU 13 3HD2 LEU 13 -9.544 4.891 4.425 105 H CYS 14 H CYS 14 -9.266 -0.453 5.904 106 HA CYS 14 HA CYS 14 -7.344 0.018 3.873 107 1HB CYS 14 1HB CYS 14 -7.264 -1.887 6.236 108 2HB CYS 14 2HB CYS 14 -5.898 -1.465 5.223 109 HG CYS 14 HG CYS 14 -5.307 0.600 6.233 110 H ASP 15 H ASP 15 -9.641 -2.571 4.798 111 HA ASP 15 HA ASP 15 -8.599 -4.636 3.359 112 1HB ASP 15 1HB ASP 15 -10.713 -4.437 4.931 113 2HB ASP 15 2HB ASP 15 -11.585 -4.087 3.452 114 H GLN 16 H GLN 16 -10.709 -1.875 2.385 115 HA GLN 16 HA GLN 16 -11.177 -2.860 -0.208 116 1HB GLN 16 1HB GLN 16 -11.694 -0.320 1.294 117 2HB GLN 16 2HB GLN 16 -11.682 -0.199 -0.454 118 1HG GLN 16 1HG GLN 16 -13.187 -2.502 -0.063 119 2HG GLN 16 2HG GLN 16 -13.639 -1.543 1.332 120 1HE2 GLN 16 1HE2 GLN 16 -14.652 0.438 1.083 121 2HE2 GLN 16 2HE2 GLN 16 -15.417 0.933 -0.390 122 H ALA 17 H ALA 17 -8.583 -1.054 1.353 123 HA ALA 17 HA ALA 17 -7.535 0.101 -1.020 124 1HB ALA 17 1HB ALA 17 -6.954 1.181 0.987 125 2HB ALA 17 2HB ALA 17 -6.565 -0.349 1.810 126 3HB ALA 17 3HB ALA 17 -5.472 0.292 0.560 127 H VAL 18 H VAL 18 -6.686 -2.796 0.996 128 HA VAL 18 HA VAL 18 -4.556 -3.653 -0.536 129 HB VAL 18 HB VAL 18 -6.580 -5.085 1.179 130 1HG1 VAL 18 1HG1 VAL 18 -5.677 -6.647 -0.538 131 2HG1 VAL 18 2HG1 VAL 18 -4.033 -6.278 0.035 132 3HG1 VAL 18 3HG1 VAL 18 -5.197 -7.073 1.122 133 1HG2 VAL 18 1HG2 VAL 18 -3.659 -4.394 1.642 134 2HG2 VAL 18 2HG2 VAL 18 -5.050 -3.491 2.289 135 3HG2 VAL 18 3HG2 VAL 18 -4.763 -5.171 2.802 136 H GLU 19 H GLU 19 -8.090 -4.049 -0.987 137 HA GLU 19 HA GLU 19 -7.988 -6.004 -2.915 138 1HB GLU 19 1HB GLU 19 -9.951 -4.382 -1.704 139 2HB GLU 19 2HB GLU 19 -10.096 -4.027 -3.414 140 1HG GLU 19 1HG GLU 19 -10.777 -6.176 -3.955 141 2HG GLU 19 2HG GLU 19 -9.784 -6.923 -2.719 142 H ALA 20 H ALA 20 -7.979 -2.391 -3.262 143 HA ALA 20 HA ALA 20 -7.893 -2.350 -6.041 144 1HB ALA 20 1HB ALA 20 -7.582 -0.519 -3.791 145 2HB ALA 20 2HB ALA 20 -6.466 -0.114 -5.117 146 3HB ALA 20 3HB ALA 20 -8.216 -0.209 -5.425 147 H LEU 21 H LEU 21 -5.326 -2.686 -3.549 148 HA LEU 21 HA LEU 21 -3.154 -2.332 -5.261 149 1HB LEU 21 1HB LEU 21 -3.671 -3.221 -2.545 150 2HB LEU 21 2HB LEU 21 -2.371 -4.136 -3.284 151 HG LEU 21 HG LEU 21 -2.268 -1.171 -3.580 152 1HD1 LEU 21 1HD1 LEU 21 -1.889 -2.603 -0.947 153 2HD1 LEU 21 2HD1 LEU 21 -1.129 -1.036 -1.314 154 3HD1 LEU 21 3HD1 LEU 21 -2.902 -1.185 -1.307 155 1HD2 LEU 21 1HD2 LEU 21 0.163 -2.335 -2.676 156 2HD2 LEU 21 2HD2 LEU 21 -0.523 -3.405 -3.922 157 3HD2 LEU 21 3HD2 LEU 21 -0.233 -1.687 -4.286 158 H ALA 22 H ALA 22 -4.771 -5.383 -4.125 159 HA ALA 22 HA ALA 22 -3.246 -7.119 -5.635 160 1HB ALA 22 1HB ALA 22 -5.193 -8.655 -5.345 161 2HB ALA 22 2HB ALA 22 -4.738 -7.827 -3.836 162 3HB ALA 22 3HB ALA 22 -6.158 -7.279 -4.759 163 H GLN 23 H GLN 23 -6.307 -5.371 -6.464 164 HA GLN 23 HA GLN 23 -6.672 -6.533 -8.920 165 1HB GLN 23 1HB GLN 23 -7.454 -3.871 -7.718 166 2HB GLN 23 2HB GLN 23 -7.812 -4.190 -9.403 167 1HG GLN 23 1HG GLN 23 -8.611 -6.547 -8.053 168 2HG GLN 23 2HG GLN 23 -9.123 -5.244 -6.999 169 1HE2 GLN 23 1HE2 GLN 23 -11.155 -4.788 -7.315 170 2HE2 GLN 23 2HE2 GLN 23 -11.980 -4.642 -8.831 171 H ALA 24 H ALA 24 -4.719 -3.655 -7.956 172 HA ALA 24 HA ALA 24 -3.982 -3.031 -10.631 173 1HB ALA 24 1HB ALA 24 -2.109 -1.964 -8.777 174 2HB ALA 24 2HB ALA 24 -3.484 -1.132 -9.542 175 3HB ALA 24 3HB ALA 24 -3.695 -1.942 -7.971 176 H ARG 25 H ARG 25 -3.156 -5.554 -8.479 177 HA ARG 25 HA ARG 25 -1.643 -7.095 -8.491 178 1HB ARG 25 1HB ARG 25 -1.521 -6.119 -11.328 179 2HB ARG 25 2HB ARG 25 -0.174 -7.112 -10.808 180 1HG ARG 25 1HG ARG 25 -2.606 -8.340 -9.844 181 2HG ARG 25 2HG ARG 25 -2.834 -7.953 -11.538 182 1HD ARG 25 1HD ARG 25 -0.312 -8.995 -11.669 183 2HD ARG 25 2HD ARG 25 -0.902 -9.870 -10.270 184 HE ARG 25 HE ARG 25 -2.982 -10.173 -12.033 185 1HH1 ARG 25 2HH2 ARG 25 0.486 -10.666 -12.362 186 2HH1 ARG 25 1HH2 ARG 25 0.326 -11.913 -13.552 187 1HH2 ARG 25 2HH1 ARG 25 -3.195 -11.819 -13.604 188 2HH2 ARG 25 1HH1 ARG 25 -1.783 -12.574 -14.264 189 H ALA 26 H ALA 26 -0.935 -4.618 -7.266 190 HA ALA 26 HA ALA 26 1.416 -3.448 -8.000 191 1HB ALA 26 1HB ALA 26 -0.307 -3.172 -5.955 192 2HB ALA 26 2HB ALA 26 0.986 -4.047 -5.099 193 3HB ALA 26 3HB ALA 26 1.341 -2.500 -5.906 194 H GLY 27 H GLY 27 0.903 -6.505 -6.140 195 1HA GLY 27 1HA GLY 27 2.436 -8.312 -6.634 196 2HA GLY 27 2HA GLY 27 3.745 -7.146 -6.655 197 H ALA 28 H ALA 28 5.025 -7.787 -4.936 198 HA ALA 28 HA ALA 28 3.697 -8.339 -2.398 199 1HB ALA 28 1HB ALA 28 5.229 -10.030 -2.787 200 2HB ALA 28 2HB ALA 28 6.357 -8.958 -3.653 201 3HB ALA 28 3HB ALA 28 6.247 -8.889 -1.878 202 H PHE 29 H PHE 29 4.463 -7.287 -0.413 203 HA PHE 29 HA PHE 29 6.155 -5.005 -0.646 204 1HB PHE 29 1HB PHE 29 4.261 -3.442 0.102 205 2HB PHE 29 2HB PHE 29 4.071 -4.032 -1.537 206 HD1 PHE 29 HD1 PHE 29 2.928 -4.538 1.948 207 HD2 PHE 29 HD2 PHE 29 2.174 -5.292 -2.159 208 HE1 PHE 29 HE1 PHE 29 0.648 -5.411 2.528 209 HE2 PHE 29 HE2 PHE 29 -0.107 -6.165 -1.580 210 HZ PHE 29 HZ PHE 29 -0.843 -6.215 0.757 211 H PHE 30 H PHE 30 5.621 -3.614 1.625 212 HA PHE 30 HA PHE 30 5.738 -5.713 3.672 213 1HB PHE 30 1HB PHE 30 6.867 -2.863 3.415 214 2HB PHE 30 2HB PHE 30 6.976 -3.781 4.904 215 HD1 PHE 30 HD1 PHE 30 7.662 -6.469 3.931 216 HD2 PHE 30 HD2 PHE 30 9.045 -2.670 2.642 217 HE1 PHE 30 HE1 PHE 30 9.796 -7.519 3.128 218 HE2 PHE 30 HE2 PHE 30 11.180 -3.720 1.840 219 HZ PHE 30 HZ PHE 30 11.530 -6.131 2.093 220 H SER 31 H SER 31 4.538 -5.492 5.602 221 HA SER 31 HA SER 31 2.455 -3.471 5.393 222 1HB SER 31 1HB SER 31 2.127 -6.144 5.623 223 2HB SER 31 2HB SER 31 2.252 -5.762 7.329 224 HG SER 31 HG SER 31 0.469 -4.332 7.150 225 H VAL 32 H VAL 32 2.046 -2.047 7.144 226 HA VAL 32 HA VAL 32 3.797 -2.354 9.471 227 HB VAL 32 HB VAL 32 3.390 0.138 7.809 228 1HG1 VAL 32 1HG1 VAL 32 5.114 1.058 9.519 229 2HG1 VAL 32 2HG1 VAL 32 3.400 0.971 9.991 230 3HG1 VAL 32 3HG1 VAL 32 4.546 -0.265 10.565 231 1HG2 VAL 32 1HG2 VAL 32 5.921 0.019 7.682 232 2HG2 VAL 32 2HG2 VAL 32 5.793 -1.627 8.348 233 3HG2 VAL 32 3HG2 VAL 32 5.040 -1.239 6.783 234 H PHE 33 H PHE 33 2.759 -2.036 11.402 235 HA PHE 33 HA PHE 33 -0.045 -1.231 11.186 236 1HB PHE 33 1HB PHE 33 1.502 -2.538 13.497 237 2HB PHE 33 2HB PHE 33 -0.240 -2.491 13.314 238 HD1 PHE 33 HD1 PHE 33 2.154 -4.752 13.407 239 HD2 PHE 33 HD2 PHE 33 -0.675 -3.346 10.574 240 HE1 PHE 33 HE1 PHE 33 2.217 -6.974 12.242 241 HE2 PHE 33 HE2 PHE 33 -0.612 -5.569 9.409 242 HZ PHE 33 HZ PHE 33 0.833 -7.356 10.257 243 H ILE 34 H ILE 34 -0.599 0.788 11.839 244 HA ILE 34 HA ILE 34 1.313 2.435 13.141 245 HB ILE 34 HB ILE 34 -0.309 4.152 12.946 246 1HG1 ILE 34 1HG1 ILE 34 -2.533 2.531 11.899 247 2HG1 ILE 34 2HG1 ILE 34 -2.187 2.247 13.593 248 1HG2 ILE 34 1HG2 ILE 34 -1.131 3.661 10.487 249 2HG2 ILE 34 2HG2 ILE 34 0.591 3.919 10.855 250 3HG2 ILE 34 3HG2 ILE 34 -0.035 2.267 10.642 251 1HD1 ILE 34 1HD1 ILE 34 -2.477 5.048 12.425 252 2HD1 ILE 34 2HD1 ILE 34 -3.838 4.136 13.120 253 3HD1 ILE 34 3HD1 ILE 34 -2.453 4.586 14.144 254 H ASP 35 H ASP 35 -0.948 0.062 14.208 255 HA ASP 35 HA ASP 35 -1.861 1.133 16.541 256 1HB ASP 35 1HB ASP 35 -2.395 -1.085 17.164 257 2HB ASP 35 2HB ASP 35 -2.350 -1.158 15.414 258 H ASP 36 H ASP 36 -0.986 1.247 18.698 259 HA ASP 36 HA ASP 36 0.474 1.007 20.328 260 1HB ASP 36 1HB ASP 36 1.306 -1.091 18.867 261 2HB ASP 36 2HB ASP 36 2.675 -0.045 18.546 262 H ASP 37 H ASP 37 2.080 1.656 17.119 263 HA ASP 37 HA ASP 37 3.904 3.484 18.157 264 1HB ASP 37 1HB ASP 37 2.773 3.157 15.339 265 2HB ASP 37 2HB ASP 37 4.148 4.173 15.723 266 H ALA 38 H ALA 38 3.066 5.300 19.256 267 HA ALA 38 HA ALA 38 0.629 6.526 18.509 268 1HB ALA 38 1HB ALA 38 2.690 6.748 20.577 269 2HB ALA 38 2HB ALA 38 2.082 8.341 20.064 270 3HB ALA 38 3HB ALA 38 0.948 7.106 20.664 271 H ALA 39 H ALA 39 4.075 7.016 17.708 272 HA ALA 39 HA ALA 39 3.880 9.584 16.662 273 1HB ALA 39 1HB ALA 39 5.883 8.629 15.230 274 2HB ALA 39 2HB ALA 39 6.051 8.813 16.992 275 3HB ALA 39 3HB ALA 39 5.703 7.213 16.293 276 H LEU 40 H LEU 40 3.546 6.343 15.061 277 HA LEU 40 HA LEU 40 2.948 7.453 12.540 278 1HB LEU 40 1HB LEU 40 2.411 4.709 13.684 279 2HB LEU 40 2HB LEU 40 2.241 5.148 11.996 280 HG LEU 40 HG LEU 40 4.804 5.112 13.610 281 1HD1 LEU 40 1HD1 LEU 40 3.599 3.297 11.543 282 2HD1 LEU 40 2HD1 LEU 40 5.367 3.425 11.705 283 3HD1 LEU 40 3HD1 LEU 40 4.382 2.901 13.092 284 1HD2 LEU 40 1HD2 LEU 40 5.185 6.901 12.190 285 2HD2 LEU 40 2HD2 LEU 40 5.807 5.525 11.248 286 3HD2 LEU 40 3HD2 LEU 40 4.206 6.207 10.876 287 H GLU 41 H GLU 41 1.026 6.569 15.415 288 HA GLU 41 HA GLU 41 -1.445 6.616 14.148 289 1HB GLU 41 1HB GLU 41 -0.585 7.057 17.030 290 2HB GLU 41 2HB GLU 41 -2.272 7.090 16.559 291 1HG GLU 41 1HG GLU 41 -0.920 4.752 15.416 292 2HG GLU 41 2HG GLU 41 -0.714 4.799 17.156 293 H SER 42 H SER 42 0.442 9.169 15.890 294 HA SER 42 HA SER 42 -1.546 11.113 15.556 295 1HB SER 42 1HB SER 42 0.904 10.879 16.924 296 2HB SER 42 2HB SER 42 1.188 12.170 15.773 297 HG SER 42 HG SER 42 -0.321 13.442 16.731 298 H ALA 43 H ALA 43 1.099 9.868 13.555 299 HA ALA 43 HA ALA 43 1.253 12.113 11.822 300 1HB ALA 43 1HB ALA 43 2.017 9.294 11.059 301 2HB ALA 43 2HB ALA 43 2.827 10.829 10.665 302 3HB ALA 43 3HB ALA 43 2.939 10.160 12.311 303 H TYR 44 H TYR 44 -0.500 8.956 11.815 304 HA TYR 44 HA TYR 44 -1.979 9.920 9.464 305 1HB TYR 44 1HB TYR 44 -1.362 7.177 10.719 306 2HB TYR 44 2HB TYR 44 -2.515 7.354 9.411 307 HD1 TYR 44 HD1 TYR 44 0.817 6.596 10.171 308 HD2 TYR 44 HD2 TYR 44 -1.545 8.694 7.286 309 HE1 TYR 44 HE1 TYR 44 2.701 6.399 8.475 310 HE2 TYR 44 HE2 TYR 44 0.347 8.490 5.600 311 HH TYR 44 HH TYR 44 2.597 8.120 5.459 312 H GLY 45 H GLY 45 -2.600 7.574 12.168 313 1HA GLY 45 1HA GLY 45 -4.316 7.404 13.612 314 2HA GLY 45 2HA GLY 45 -4.636 9.110 13.375 315 H LEU 46 H LEU 46 -5.749 9.707 11.201 316 HA LEU 46 HA LEU 46 -7.927 7.807 10.852 317 1HB LEU 46 1HB LEU 46 -7.699 10.638 11.001 318 2HB LEU 46 2HB LEU 46 -8.288 10.239 9.400 319 HG LEU 46 HG LEU 46 -10.108 10.677 10.986 320 1HD1 LEU 46 1HD1 LEU 46 -10.875 9.357 9.266 321 2HD1 LEU 46 2HD1 LEU 46 -9.832 7.983 9.702 322 3HD1 LEU 46 3HD1 LEU 46 -11.273 8.351 10.679 323 1HD2 LEU 46 1HD2 LEU 46 -9.787 10.048 13.104 324 2HD2 LEU 46 2HD2 LEU 46 -10.335 8.438 12.577 325 3HD2 LEU 46 3HD2 LEU 46 -8.595 8.806 12.652 326 H ARG 47 H ARG 47 -5.122 9.216 9.212 327 HA ARG 47 HA ARG 47 -6.022 8.172 6.695 328 1HB ARG 47 1HB ARG 47 -3.411 9.571 7.470 329 2HB ARG 47 2HB ARG 47 -3.879 9.172 5.829 330 1HG ARG 47 1HG ARG 47 -5.176 11.029 5.672 331 2HG ARG 47 2HG ARG 47 -6.054 10.606 7.129 332 1HD ARG 47 1HD ARG 47 -4.872 12.091 8.400 333 2HD ARG 47 2HD ARG 47 -3.336 11.551 7.751 334 HE ARG 47 HE ARG 47 -3.366 13.430 6.381 335 1HH1 ARG 47 2HH2 ARG 47 -6.694 12.505 7.054 336 2HH1 ARG 47 1HH2 ARG 47 -7.376 13.815 6.149 337 1HH2 ARG 47 2HH1 ARG 47 -4.265 15.159 5.187 338 2HH2 ARG 47 1HH1 ARG 47 -5.985 15.335 5.080 339 H VAL 48 H VAL 48 -5.651 6.201 8.767 340 HA VAL 48 HA VAL 48 -3.167 5.027 8.876 341 HB VAL 48 HB VAL 48 -5.974 4.246 9.321 342 1HG1 VAL 48 1HG1 VAL 48 -5.003 1.816 9.782 343 2HG1 VAL 48 2HG1 VAL 48 -5.665 2.271 8.193 344 3HG1 VAL 48 3HG1 VAL 48 -3.904 2.265 8.455 345 1HG2 VAL 48 1HG2 VAL 48 -4.977 4.908 11.277 346 2HG2 VAL 48 2HG2 VAL 48 -4.641 3.162 11.352 347 3HG2 VAL 48 3HG2 VAL 48 -3.377 4.289 10.805 348 HA PRO 49 HA PRO 49 -4.367 2.721 4.919 349 1HB PRO 49 1HB PRO 49 -6.508 3.569 3.447 350 2HB PRO 49 2HB PRO 49 -6.600 2.257 4.605 351 1HG PRO 49 1HG PRO 49 -7.600 5.028 4.859 352 2HG PRO 49 2HG PRO 49 -8.042 3.612 5.792 353 1HD PRO 49 1HD PRO 49 -6.311 5.743 6.622 354 2HD PRO 49 2HD PRO 49 -6.661 4.272 7.508 355 H VAL 50 H VAL 50 -2.355 4.033 4.791 356 HA VAL 50 HA VAL 50 -2.678 5.855 2.507 357 HB VAL 50 HB VAL 50 -1.062 6.093 5.028 358 1HG1 VAL 50 1HG1 VAL 50 0.719 6.738 3.817 359 2HG1 VAL 50 2HG1 VAL 50 -0.230 6.872 2.317 360 3HG1 VAL 50 3HG1 VAL 50 -0.216 8.215 3.485 361 1HG2 VAL 50 1HG2 VAL 50 -3.417 7.131 4.570 362 2HG2 VAL 50 2HG2 VAL 50 -2.148 8.125 5.326 363 3HG2 VAL 50 3HG2 VAL 50 -2.508 8.309 3.592 364 H LEU 51 H LEU 51 -1.601 5.232 0.704 365 HA LEU 51 HA LEU 51 0.279 3.025 1.005 366 1HB LEU 51 1HB LEU 51 -1.772 3.661 -0.826 367 2HB LEU 51 2HB LEU 51 -0.267 3.790 -1.713 368 HG LEU 51 HG LEU 51 -1.186 1.365 -0.144 369 1HD1 LEU 51 1HD1 LEU 51 -2.472 1.004 -1.935 370 2HD1 LEU 51 2HD1 LEU 51 -1.642 2.248 -2.901 371 3HD1 LEU 51 3HD1 LEU 51 -0.955 0.611 -2.778 372 1HD2 LEU 51 1HD2 LEU 51 0.987 0.852 -0.085 373 2HD2 LEU 51 2HD2 LEU 51 0.828 0.542 -1.831 374 3HD2 LEU 51 3HD2 LEU 51 1.415 2.122 -1.258 375 H ARG 52 H ARG 52 2.447 3.285 0.820 376 HA ARG 52 HA ARG 52 3.312 5.790 -0.381 377 1HB ARG 52 1HB ARG 52 3.560 5.910 2.095 378 2HB ARG 52 2HB ARG 52 4.478 4.417 2.095 379 1HG ARG 52 1HG ARG 52 6.391 5.418 1.233 380 2HG ARG 52 2HG ARG 52 5.490 6.586 0.286 381 1HD ARG 52 1HD ARG 52 5.256 8.079 2.077 382 2HD ARG 52 2HD ARG 52 5.309 6.812 3.287 383 HE ARG 52 HE ARG 52 7.595 8.224 2.148 384 1HH1 ARG 52 2HH2 ARG 52 6.570 5.216 3.660 385 2HH1 ARG 52 1HH2 ARG 52 8.152 4.824 4.249 386 1HH2 ARG 52 2HH1 ARG 52 9.682 7.707 2.925 387 2HH2 ARG 52 1HH1 ARG 52 9.933 6.251 3.828 388 H ASP 53 H ASP 53 5.453 5.685 -1.442 389 HA ASP 53 HA ASP 53 6.064 2.946 -2.199 390 1HB ASP 53 1HB ASP 53 6.037 5.563 -3.588 391 2HB ASP 53 2HB ASP 53 7.495 4.643 -3.905 392 HA PRO 54 HA PRO 54 10.113 3.444 -0.581 393 1HB PRO 54 1HB PRO 54 11.766 2.249 -2.400 394 2HB PRO 54 2HB PRO 54 10.797 1.349 -1.250 395 1HG PRO 54 1HG PRO 54 10.362 1.719 -4.150 396 2HG PRO 54 2HG PRO 54 9.677 0.510 -3.083 397 1HD PRO 54 1HD PRO 54 8.360 2.847 -4.099 398 2HD PRO 54 2HD PRO 54 7.715 1.700 -2.942 399 H MET 55 H MET 55 9.651 4.690 -3.764 400 HA MET 55 HA MET 55 12.065 6.056 -3.918 401 1HB MET 55 1HB MET 55 9.294 6.544 -5.135 402 2HB MET 55 2HB MET 55 10.695 7.490 -5.599 403 1HG MET 55 1HG MET 55 11.018 5.862 -7.178 404 2HG MET 55 2HG MET 55 11.704 4.934 -5.859 405 1HE MET 55 1HE MET 55 9.787 1.883 -6.700 406 2HE MET 55 2HE MET 55 10.956 2.845 -7.636 407 3HE MET 55 3HE MET 55 11.183 2.627 -5.884 408 H GLY 56 H GLY 56 8.816 6.997 -2.648 409 1HA GLY 56 1HA GLY 56 9.109 8.426 -0.589 410 2HA GLY 56 2HA GLY 56 10.019 9.499 -1.634 411 H ARG 57 H ARG 57 7.012 7.581 -2.304 412 HA ARG 57 HA ARG 57 5.583 10.086 -2.468 413 1HB ARG 57 1HB ARG 57 5.386 7.989 -4.681 414 2HB ARG 57 2HB ARG 57 4.665 9.587 -4.675 415 1HG ARG 57 1HG ARG 57 7.249 10.328 -4.336 416 2HG ARG 57 2HG ARG 57 7.532 8.795 -5.136 417 1HD ARG 57 1HD ARG 57 5.893 9.546 -6.959 418 2HD ARG 57 2HD ARG 57 5.865 11.124 -6.198 419 HE ARG 57 HE ARG 57 8.594 10.287 -6.649 420 1HH1 ARG 57 2HH2 ARG 57 5.763 11.530 -8.330 421 2HH1 ARG 57 1HH2 ARG 57 6.683 12.269 -9.598 422 1HH2 ARG 57 2HH1 ARG 57 9.808 11.263 -8.322 423 2HH2 ARG 57 1HH1 ARG 57 8.999 12.116 -9.593 424 H GLU 58 H GLU 58 3.160 9.735 -2.477 425 HA GLU 58 HA GLU 58 2.426 7.054 -1.650 426 1HB GLU 58 1HB GLU 58 0.870 8.450 0.070 427 2HB GLU 58 2HB GLU 58 2.451 7.833 0.507 428 1HG GLU 58 1HG GLU 58 2.355 10.174 1.163 429 2HG GLU 58 2HG GLU 58 3.470 10.036 -0.183 430 H LEU 59 H LEU 59 -0.076 6.834 -1.584 431 HA LEU 59 HA LEU 59 -1.230 8.606 -3.623 432 1HB LEU 59 1HB LEU 59 -0.574 6.304 -4.420 433 2HB LEU 59 2HB LEU 59 -1.787 5.656 -3.335 434 HG LEU 59 HG LEU 59 -3.527 6.976 -4.542 435 1HD1 LEU 59 1HD1 LEU 59 -2.994 7.942 -6.735 436 2HD1 LEU 59 2HD1 LEU 59 -2.127 8.766 -5.416 437 3HD1 LEU 59 3HD1 LEU 59 -1.267 7.609 -6.460 438 1HD2 LEU 59 1HD2 LEU 59 -2.066 4.661 -5.488 439 2HD2 LEU 59 2HD2 LEU 59 -3.814 4.992 -5.498 440 3HD2 LEU 59 3HD2 LEU 59 -2.793 5.561 -6.841 441 H ASP 60 H ASP 60 -3.456 9.144 -3.368 442 HA ASP 60 HA ASP 60 -4.218 9.488 -0.749 443 1HB ASP 60 1HB ASP 60 -5.137 10.236 -3.318 444 2HB ASP 60 2HB ASP 60 -6.489 9.371 -2.615 445 H TRP 61 H TRP 61 -5.762 8.346 0.585 446 HA TRP 61 HA TRP 61 -5.846 5.643 0.487 447 1HB TRP 61 1HB TRP 61 -6.660 6.209 2.471 448 2HB TRP 61 2HB TRP 61 -7.250 7.756 1.895 449 HD1 TRP 61 HD1 TRP 61 -9.777 7.846 2.550 450 HE1 TRP 61 HE1 TRP 61 -11.917 6.309 2.396 451 HE3 TRP 61 HE3 TRP 61 -7.364 3.777 0.687 452 HZ2 TRP 61 HZ2 TRP 61 -12.350 3.624 1.531 453 HZ3 TRP 61 HZ3 TRP 61 -8.719 1.738 0.215 454 HH2 TRP 61 HH2 TRP 61 -11.129 1.620 0.607 455 HA PRO 62 HA PRO 62 -9.818 5.942 -2.085 456 1HB PRO 62 1HB PRO 62 -10.657 8.355 -3.056 457 2HB PRO 62 2HB PRO 62 -11.267 7.655 -1.570 458 1HG PRO 62 1HG PRO 62 -9.357 9.884 -1.921 459 2HG PRO 62 2HG PRO 62 -10.293 9.453 -0.503 460 1HD PRO 62 1HD PRO 62 -7.500 8.959 -0.931 461 2HD PRO 62 2HD PRO 62 -8.461 8.427 0.434 462 H PHE 63 H PHE 63 -9.135 4.760 -3.757 463 HA PHE 63 HA PHE 63 -8.244 6.303 -6.034 464 1HB PHE 63 1HB PHE 63 -6.354 4.338 -6.084 465 2HB PHE 63 2HB PHE 63 -6.058 5.863 -5.273 466 HD1 PHE 63 HD1 PHE 63 -8.216 3.072 -4.107 467 HD2 PHE 63 HD2 PHE 63 -4.611 5.238 -3.545 468 HE1 PHE 63 HE1 PHE 63 -7.817 1.848 -1.952 469 HE2 PHE 63 HE2 PHE 63 -4.211 4.014 -1.390 470 HZ PHE 63 HZ PHE 63 -5.819 2.334 -0.620 471 H ASP 64 H ASP 64 -7.459 4.316 -7.749 472 HA ASP 64 HA ASP 64 -9.664 2.416 -7.606 473 1HB ASP 64 1HB ASP 64 -8.569 3.613 -10.185 474 2HB ASP 64 2HB ASP 64 -10.017 2.643 -9.999 475 H ALA 65 H ALA 65 -9.047 0.828 -9.822 476 HA ALA 65 HA ALA 65 -6.658 -0.476 -8.940 477 1HB ALA 65 1HB ALA 65 -9.054 -1.197 -10.203 478 2HB ALA 65 2HB ALA 65 -7.808 -1.426 -11.453 479 3HB ALA 65 3HB ALA 65 -7.660 -2.257 -9.886 480 HA PRO 66 HA PRO 66 -5.243 1.097 -13.176 481 1HB PRO 66 1HB PRO 66 -6.743 2.944 -14.521 482 2HB PRO 66 2HB PRO 66 -6.834 1.223 -14.837 483 1HG PRO 66 1HG PRO 66 -8.752 2.946 -13.391 484 2HG PRO 66 2HG PRO 66 -9.008 1.355 -14.079 485 1HD PRO 66 1HD PRO 66 -8.638 1.985 -11.305 486 2HD PRO 66 2HD PRO 66 -8.778 0.385 -12.007 487 H ARG 67 H ARG 67 -6.710 3.208 -10.919 488 HA ARG 67 HA ARG 67 -4.984 5.357 -11.617 489 1HB ARG 67 1HB ARG 67 -7.409 5.199 -10.322 490 2HB ARG 67 2HB ARG 67 -6.338 5.345 -8.943 491 1HG ARG 67 1HG ARG 67 -5.670 7.501 -9.501 492 2HG ARG 67 2HG ARG 67 -5.815 7.222 -11.225 493 1HD ARG 67 1HD ARG 67 -8.454 6.972 -10.091 494 2HD ARG 67 2HD ARG 67 -7.740 8.432 -9.435 495 HE ARG 67 HE ARG 67 -8.638 8.067 -12.137 496 1HH1 ARG 67 2HH2 ARG 67 -6.014 9.548 -10.319 497 2HH1 ARG 67 1HH2 ARG 67 -5.699 10.760 -11.515 498 1HH2 ARG 67 2HH1 ARG 67 -8.223 9.667 -13.715 499 2HH2 ARG 67 1HH1 ARG 67 -6.964 10.829 -13.460 500 H LEU 68 H LEU 68 -5.097 2.654 -9.297 501 HA LEU 68 HA LEU 68 -2.966 3.702 -7.686 502 1HB LEU 68 1HB LEU 68 -4.858 2.294 -6.852 503 2HB LEU 68 2HB LEU 68 -4.176 0.936 -7.725 504 HG LEU 68 HG LEU 68 -2.063 1.964 -6.164 505 1HD1 LEU 68 1HD1 LEU 68 -4.699 2.242 -4.818 506 2HD1 LEU 68 2HD1 LEU 68 -3.377 1.512 -3.875 507 3HD1 LEU 68 3HD1 LEU 68 -3.178 3.136 -4.577 508 1HD2 LEU 68 1HD2 LEU 68 -1.860 -0.192 -5.484 509 2HD2 LEU 68 2HD2 LEU 68 -3.605 -0.386 -5.185 510 3HD2 LEU 68 3HD2 LEU 68 -2.973 -0.453 -6.848 511 H ARG 69 H ARG 69 -3.401 1.348 -10.361 512 HA ARG 69 HA ARG 69 -0.785 0.377 -10.188 513 1HB ARG 69 1HB ARG 69 -2.892 -0.624 -11.392 514 2HB ARG 69 2HB ARG 69 -2.461 0.419 -12.733 515 1HG ARG 69 1HG ARG 69 -0.168 -1.129 -11.654 516 2HG ARG 69 2HG ARG 69 -1.450 -2.137 -12.294 517 1HD ARG 69 1HD ARG 69 -1.061 0.049 -14.139 518 2HD ARG 69 2HD ARG 69 0.519 -0.605 -13.753 519 HE ARG 69 HE ARG 69 -0.058 -2.621 -14.824 520 1HH1 ARG 69 2HH2 ARG 69 -2.931 -0.637 -14.385 521 2HH1 ARG 69 1HH2 ARG 69 -3.930 -1.635 -15.388 522 1HH2 ARG 69 2HH1 ARG 69 -1.376 -3.938 -16.148 523 2HH2 ARG 69 1HH1 ARG 69 -3.039 -3.525 -16.398 524 H ALA 70 H ALA 70 -2.431 2.842 -12.279 525 HA ALA 70 HA ALA 70 -0.260 3.453 -13.892 526 1HB ALA 70 1HB ALA 70 -2.474 5.306 -12.923 527 2HB ALA 70 2HB ALA 70 -1.511 5.477 -14.410 528 3HB ALA 70 3HB ALA 70 -2.650 4.120 -14.240 529 H TRP 71 H TRP 71 -1.054 4.342 -10.544 530 HA TRP 71 HA TRP 71 0.818 6.489 -10.423 531 1HB TRP 71 1HB TRP 71 -1.095 6.489 -8.979 532 2HB TRP 71 2HB TRP 71 -0.670 4.924 -8.313 533 HD1 TRP 71 HD1 TRP 71 0.603 8.595 -8.241 534 HE1 TRP 71 HE1 TRP 71 2.015 9.055 -6.060 535 HE3 TRP 71 HE3 TRP 71 0.593 3.787 -6.587 536 HZ2 TRP 71 HZ2 TRP 71 2.948 7.395 -3.936 537 HZ3 TRP 71 HZ3 TRP 71 1.778 3.291 -4.450 538 HH2 TRP 71 HH2 TRP 71 2.928 5.002 -3.138 539 H LEU 72 H LEU 72 0.756 2.963 -9.719 540 HA LEU 72 HA LEU 72 3.218 2.848 -8.401 541 1HB LEU 72 1HB LEU 72 1.589 0.830 -9.933 542 2HB LEU 72 2HB LEU 72 3.109 0.417 -9.163 543 HG LEU 72 HG LEU 72 0.938 1.725 -7.548 544 1HD1 LEU 72 1HD1 LEU 72 -0.442 0.064 -8.244 545 2HD1 LEU 72 2HD1 LEU 72 0.896 -1.024 -8.686 546 3HD1 LEU 72 3HD1 LEU 72 0.430 -0.835 -6.979 547 1HD2 LEU 72 1HD2 LEU 72 1.959 0.342 -5.744 548 2HD2 LEU 72 2HD2 LEU 72 3.189 -0.198 -6.912 549 3HD2 LEU 72 3HD2 LEU 72 3.074 1.523 -6.472 550 H ASP 73 H ASP 73 2.312 2.488 -11.885 551 HA ASP 73 HA ASP 73 4.896 1.919 -12.720 552 1HB ASP 73 1HB ASP 73 2.593 3.265 -14.210 553 2HB ASP 73 2HB ASP 73 4.029 2.627 -14.985 554 H ALA 74 H ALA 74 3.051 4.933 -12.115 555 HA ALA 74 HA ALA 74 4.565 6.770 -13.478 556 1HB ALA 74 1HB ALA 74 3.551 7.383 -10.713 557 2HB ALA 74 2HB ALA 74 3.425 8.341 -12.207 558 3HB ALA 74 3HB ALA 74 2.385 6.915 -11.974 559 H ALA 75 H ALA 75 5.408 4.776 -10.724 560 HA ALA 75 HA ALA 75 7.189 6.170 -9.300 561 1HB ALA 75 1HB ALA 75 6.605 3.757 -9.041 562 2HB ALA 75 2HB ALA 75 7.651 3.381 -10.432 563 3HB ALA 75 3HB ALA 75 8.357 4.054 -8.943 564 HA PRO 76 HA PRO 76 10.210 7.552 -12.088 565 1HB PRO 76 1HB PRO 76 12.073 8.459 -10.305 566 2HB PRO 76 2HB PRO 76 10.667 9.391 -10.780 567 1HG PRO 76 1HG PRO 76 11.162 7.943 -8.251 568 2HG PRO 76 2HG PRO 76 9.991 9.203 -8.583 569 1HD PRO 76 1HD PRO 76 9.470 6.391 -8.357 570 2HD PRO 76 2HD PRO 76 8.321 7.638 -8.803 571 H HIS 77 H HIS 77 12.615 7.389 -12.637 572 HA HIS 77 HA HIS 77 14.041 5.859 -13.409 573 1HB HIS 77 1HB HIS 77 14.649 4.825 -10.723 574 2HB HIS 77 2HB HIS 77 15.685 5.626 -11.888 575 HD1 HIS 77 HD1 HIS 77 15.657 8.299 -11.884 576 HD2 HIS 77 HD2 HIS 77 13.612 6.461 -8.716 577 HE1 HIS 77 HE1 HIS 77 15.285 10.111 -10.127 578 H ALA 78 H ALA 78 12.739 4.393 -14.586 579 HA ALA 78 HA ALA 78 12.389 1.836 -13.212 580 1HB ALA 78 1HB ALA 78 10.150 1.960 -13.315 581 2HB ALA 78 2HB ALA 78 10.278 3.615 -13.958 582 3HB ALA 78 3HB ALA 78 10.234 2.229 -15.073 Start of MODEL 5 1 1H MET 1 1H MET 1 12.983 -1.354 2.124 2 HA MET 1 HA MET 1 13.578 -1.262 -0.295 3 1HB MET 1 1HB MET 1 12.534 -3.745 1.136 4 2HB MET 1 2HB MET 1 13.196 -3.887 -0.480 5 1HG MET 1 1HG MET 1 15.218 -4.101 0.568 6 2HG MET 1 2HG MET 1 15.148 -2.360 0.757 7 1HE MET 1 1HE MET 1 13.381 -5.326 3.718 8 2HE MET 1 2HE MET 1 13.587 -5.492 1.957 9 3HE MET 1 3HE MET 1 14.954 -5.821 3.048 10 H ALA 2 H ALA 2 10.418 -2.895 0.487 11 HA ALA 2 HA ALA 2 9.617 -2.410 -2.289 12 1HB ALA 2 1HB ALA 2 7.686 -4.008 -1.110 13 2HB ALA 2 2HB ALA 2 9.066 -4.593 -2.069 14 3HB ALA 2 3HB ALA 2 9.178 -4.532 -0.294 15 H LEU 3 H LEU 3 6.845 -2.431 -2.007 16 HA LEU 3 HA LEU 3 6.355 0.218 -1.286 17 1HB LEU 3 1HB LEU 3 4.528 -2.126 -1.801 18 2HB LEU 3 2HB LEU 3 3.944 -0.500 -1.508 19 HG LEU 3 HG LEU 3 5.904 -1.098 -3.726 20 1HD1 LEU 3 1HD1 LEU 3 2.903 -1.036 -4.081 21 2HD1 LEU 3 2HD1 LEU 3 4.152 -1.472 -5.271 22 3HD1 LEU 3 3HD1 LEU 3 3.831 -2.542 -3.885 23 1HD2 LEU 3 1HD2 LEU 3 4.347 1.240 -2.814 24 2HD2 LEU 3 2HD2 LEU 3 5.885 1.150 -3.706 25 3HD2 LEU 3 3HD2 LEU 3 4.342 0.955 -4.571 26 H THR 4 H THR 4 4.314 0.639 0.305 27 HA THR 4 HA THR 4 4.438 -0.961 2.695 28 HB THR 4 HB THR 4 5.633 1.852 2.547 29 HG1 THR 4 HG1 THR 4 7.420 0.549 3.444 30 1HG2 THR 4 1HG2 THR 4 4.764 2.066 4.685 31 2HG2 THR 4 2HG2 THR 4 4.429 0.323 4.821 32 3HG2 THR 4 3HG2 THR 4 6.075 0.938 5.107 33 H LEU 5 H LEU 5 2.364 -1.203 3.213 34 HA LEU 5 HA LEU 5 0.644 1.148 2.830 35 1HB LEU 5 1HB LEU 5 -0.090 -0.384 1.254 36 2HB LEU 5 2HB LEU 5 0.195 -1.764 2.296 37 HG LEU 5 HG LEU 5 -1.716 -0.609 3.755 38 1HD1 LEU 5 1HD1 LEU 5 -3.468 0.290 2.168 39 2HD1 LEU 5 2HD1 LEU 5 -2.079 1.357 2.487 40 3HD1 LEU 5 3HD1 LEU 5 -2.171 0.448 0.959 41 1HD2 LEU 5 1HD2 LEU 5 -3.355 -2.058 2.599 42 2HD2 LEU 5 2HD2 LEU 5 -2.180 -2.303 1.285 43 3HD2 LEU 5 3HD2 LEU 5 -1.810 -2.878 2.928 44 H TYR 6 H TYR 6 0.599 2.084 4.834 45 HA TYR 6 HA TYR 6 0.786 0.613 7.223 46 1HB TYR 6 1HB TYR 6 -0.461 3.355 6.570 47 2HB TYR 6 2HB TYR 6 0.115 2.870 8.152 48 HD1 TYR 6 HD1 TYR 6 2.614 2.418 8.454 49 HD2 TYR 6 HD2 TYR 6 1.003 4.336 4.986 50 HE1 TYR 6 HE1 TYR 6 4.910 3.358 7.898 51 HE2 TYR 6 HE2 TYR 6 3.305 5.270 4.442 52 HH TYR 6 HH TYR 6 5.990 4.860 6.678 53 H GLN 7 H GLN 7 -0.736 -0.296 8.563 54 HA GLN 7 HA GLN 7 -3.434 0.462 8.435 55 1HB GLN 7 1HB GLN 7 -4.460 -1.414 7.410 56 2HB GLN 7 2HB GLN 7 -3.138 -1.008 6.334 57 1HG GLN 7 1HG GLN 7 -1.957 -2.763 8.191 58 2HG GLN 7 2HG GLN 7 -3.555 -3.441 7.946 59 1HE2 GLN 7 1HE2 GLN 7 -3.142 -5.146 6.708 60 2HE2 GLN 7 2HE2 GLN 7 -2.405 -5.116 5.141 61 H ARG 8 H ARG 8 -4.781 -0.868 10.006 62 HA ARG 8 HA ARG 8 -3.148 -2.478 11.755 63 1HB ARG 8 1HB ARG 8 -4.263 -1.209 13.748 64 2HB ARG 8 2HB ARG 8 -2.926 -0.423 12.932 65 1HG ARG 8 1HG ARG 8 -4.245 1.321 12.331 66 2HG ARG 8 2HG ARG 8 -5.378 0.246 11.537 67 1HD ARG 8 1HD ARG 8 -6.577 -0.156 13.641 68 2HD ARG 8 2HD ARG 8 -5.360 0.712 14.556 69 HE ARG 8 HE ARG 8 -6.266 2.535 12.618 70 1HH1 ARG 8 2HH2 ARG 8 -7.691 0.708 15.266 71 2HH1 ARG 8 1HH2 ARG 8 -8.929 1.878 15.577 72 1HH2 ARG 8 2HH1 ARG 8 -7.900 4.079 13.027 73 2HH2 ARG 8 1HH1 ARG 8 -9.049 3.809 14.295 74 H ASP 9 H ASP 9 -4.304 -4.391 11.696 75 HA ASP 9 HA ASP 9 -5.931 -5.785 12.100 76 1HB ASP 9 1HB ASP 9 -6.825 -3.477 13.513 77 2HB ASP 9 2HB ASP 9 -8.212 -4.019 12.589 78 H ASP 10 H ASP 10 -7.692 -6.716 10.803 79 HA ASP 10 HA ASP 10 -8.169 -5.169 8.402 80 1HB ASP 10 1HB ASP 10 -9.278 -7.814 8.224 81 2HB ASP 10 2HB ASP 10 -7.900 -7.162 7.360 82 H CYS 11 H CYS 11 -10.233 -4.315 8.036 83 HA CYS 11 HA CYS 11 -12.440 -5.523 9.526 84 1HB CYS 11 1HB CYS 11 -11.531 -2.682 9.568 85 2HB CYS 11 2HB CYS 11 -13.260 -2.957 9.487 86 HG CYS 11 HG CYS 11 -11.042 -3.570 11.769 87 H HIS 12 H HIS 12 -11.773 -2.875 7.107 88 HA HIS 12 HA HIS 12 -12.893 -4.322 4.978 89 1HB HIS 12 1HB HIS 12 -14.752 -2.821 6.650 90 2HB HIS 12 2HB HIS 12 -14.763 -2.246 4.995 91 HD1 HIS 12 HD1 HIS 12 -14.516 -4.781 3.352 92 HD2 HIS 12 HD2 HIS 12 -16.854 -4.548 6.827 93 HE1 HIS 12 HE1 HIS 12 -16.250 -6.644 3.173 94 H LEU 13 H LEU 13 -12.706 -0.917 6.250 95 HA LEU 13 HA LEU 13 -12.168 0.367 3.931 96 1HB LEU 13 1HB LEU 13 -12.526 1.348 6.188 97 2HB LEU 13 2HB LEU 13 -10.876 0.928 6.603 98 HG LEU 13 HG LEU 13 -10.484 2.348 4.297 99 1HD1 LEU 13 1HD1 LEU 13 -11.856 4.383 4.434 100 2HD1 LEU 13 2HD1 LEU 13 -12.833 2.938 4.076 101 3HD1 LEU 13 3HD1 LEU 13 -12.835 3.630 5.716 102 1HD2 LEU 13 1HD2 LEU 13 -9.769 4.190 5.763 103 2HD2 LEU 13 2HD2 LEU 13 -10.603 3.415 7.131 104 3HD2 LEU 13 3HD2 LEU 13 -9.221 2.604 6.356 105 H CYS 14 H CYS 14 -9.833 -1.416 6.034 106 HA CYS 14 HA CYS 14 -7.607 -0.769 4.447 107 1HB CYS 14 1HB CYS 14 -7.199 -1.413 6.697 108 2HB CYS 14 2HB CYS 14 -8.117 -2.898 6.535 109 HG CYS 14 HG CYS 14 -6.488 -4.302 5.436 110 H ASP 15 H ASP 15 -9.949 -3.517 4.594 111 HA ASP 15 HA ASP 15 -8.727 -5.231 2.893 112 1HB ASP 15 1HB ASP 15 -10.907 -5.543 4.186 113 2HB ASP 15 2HB ASP 15 -11.718 -4.616 2.940 114 H GLN 16 H GLN 16 -10.871 -2.394 2.207 115 HA GLN 16 HA GLN 16 -11.096 -2.804 -0.516 116 1HB GLN 16 1HB GLN 16 -11.569 -0.584 1.401 117 2HB GLN 16 2HB GLN 16 -11.258 -0.057 -0.241 118 1HG GLN 16 1HG GLN 16 -12.999 -2.098 -0.756 119 2HG GLN 16 2HG GLN 16 -13.557 -1.647 0.843 120 1HE2 GLN 16 1HE2 GLN 16 -14.881 0.003 1.055 121 2HE2 GLN 16 2HE2 GLN 16 -15.249 1.199 -0.142 122 H ALA 17 H ALA 17 -8.600 -1.166 1.474 123 HA ALA 17 HA ALA 17 -7.251 0.061 -0.662 124 1HB ALA 17 1HB ALA 17 -5.412 -0.555 1.409 125 2HB ALA 17 2HB ALA 17 -6.290 0.971 1.153 126 3HB ALA 17 3HB ALA 17 -6.985 -0.290 2.199 127 H VAL 18 H VAL 18 -6.878 -3.129 1.004 128 HA VAL 18 HA VAL 18 -4.624 -3.914 -0.469 129 HB VAL 18 HB VAL 18 -6.763 -5.540 0.920 130 1HG1 VAL 18 1HG1 VAL 18 -5.288 -6.766 -0.756 131 2HG1 VAL 18 2HG1 VAL 18 -3.920 -6.394 0.320 132 3HG1 VAL 18 3HG1 VAL 18 -5.274 -7.388 0.911 133 1HG2 VAL 18 1HG2 VAL 18 -5.941 -4.601 2.779 134 2HG2 VAL 18 2HG2 VAL 18 -4.463 -5.547 2.481 135 3HG2 VAL 18 3HG2 VAL 18 -4.577 -3.868 1.902 136 H GLU 19 H GLU 19 -8.162 -4.176 -1.018 137 HA GLU 19 HA GLU 19 -8.077 -5.968 -3.091 138 1HB GLU 19 1HB GLU 19 -10.024 -4.463 -1.785 139 2HB GLU 19 2HB GLU 19 -10.087 -3.823 -3.415 140 1HG GLU 19 1HG GLU 19 -9.880 -6.771 -3.371 141 2HG GLU 19 2HG GLU 19 -11.301 -6.189 -2.526 142 H ALA 20 H ALA 20 -7.934 -2.342 -3.165 143 HA ALA 20 HA ALA 20 -7.807 -2.057 -5.913 144 1HB ALA 20 1HB ALA 20 -6.326 -0.316 -3.920 145 2HB ALA 20 2HB ALA 20 -7.110 0.164 -5.444 146 3HB ALA 20 3HB ALA 20 -8.102 -0.309 -4.043 147 H LEU 21 H LEU 21 -5.243 -2.742 -3.479 148 HA LEU 21 HA LEU 21 -3.070 -2.421 -5.185 149 1HB LEU 21 1HB LEU 21 -3.631 -3.625 -2.564 150 2HB LEU 21 2HB LEU 21 -2.286 -4.358 -3.415 151 HG LEU 21 HG LEU 21 -2.507 -1.375 -2.962 152 1HD1 LEU 21 1HD1 LEU 21 -1.268 -1.522 -0.986 153 2HD1 LEU 21 2HD1 LEU 21 -2.489 -2.808 -0.832 154 3HD1 LEU 21 3HD1 LEU 21 -0.816 -3.218 -1.281 155 1HD2 LEU 21 1HD2 LEU 21 -0.142 -3.135 -3.666 156 2HD2 LEU 21 2HD2 LEU 21 -1.020 -2.062 -4.782 157 3HD2 LEU 21 3HD2 LEU 21 -0.109 -1.373 -3.417 158 H ALA 22 H ALA 22 -4.802 -5.473 -4.224 159 HA ALA 22 HA ALA 22 -3.430 -7.144 -5.937 160 1HB ALA 22 1HB ALA 22 -4.999 -7.755 -4.053 161 2HB ALA 22 2HB ALA 22 -6.356 -7.357 -5.133 162 3HB ALA 22 3HB ALA 22 -5.248 -8.686 -5.549 163 H GLN 23 H GLN 23 -6.438 -5.204 -6.479 164 HA GLN 23 HA GLN 23 -6.965 -6.155 -8.999 165 1HB GLN 23 1HB GLN 23 -7.548 -3.513 -7.624 166 2HB GLN 23 2HB GLN 23 -8.082 -3.807 -9.267 167 1HG GLN 23 1HG GLN 23 -8.830 -6.150 -7.885 168 2HG GLN 23 2HG GLN 23 -9.159 -4.865 -6.740 169 1HE2 GLN 23 1HE2 GLN 23 -11.112 -6.459 -7.938 170 2HE2 GLN 23 2HE2 GLN 23 -12.128 -5.484 -8.946 171 H ALA 24 H ALA 24 -4.827 -3.468 -7.899 172 HA ALA 24 HA ALA 24 -4.191 -2.648 -10.551 173 1HB ALA 24 1HB ALA 24 -3.869 -0.909 -9.090 174 2HB ALA 24 2HB ALA 24 -3.393 -1.979 -7.750 175 3HB ALA 24 3HB ALA 24 -2.225 -1.587 -9.035 176 H ARG 25 H ARG 25 -3.407 -5.387 -8.681 177 HA ARG 25 HA ARG 25 -1.959 -6.976 -8.876 178 1HB ARG 25 1HB ARG 25 -1.953 -5.789 -11.629 179 2HB ARG 25 2HB ARG 25 -0.604 -6.848 -11.268 180 1HG ARG 25 1HG ARG 25 -3.069 -8.048 -10.280 181 2HG ARG 25 2HG ARG 25 -3.272 -7.600 -11.962 182 1HD ARG 25 1HD ARG 25 -0.834 -8.724 -12.195 183 2HD ARG 25 2HD ARG 25 -1.332 -9.565 -10.741 184 HE ARG 25 HE ARG 25 -3.388 -9.598 -12.821 185 1HH1 ARG 25 2HH2 ARG 25 -0.484 -11.193 -11.635 186 2HH1 ARG 25 1HH2 ARG 25 -0.857 -12.711 -12.383 187 1HH2 ARG 25 2HH1 ARG 25 -3.881 -11.600 -13.807 188 2HH2 ARG 25 1HH1 ARG 25 -2.803 -12.943 -13.627 189 H ALA 26 H ALA 26 -1.076 -4.643 -7.497 190 HA ALA 26 HA ALA 26 1.350 -3.603 -8.316 191 1HB ALA 26 1HB ALA 26 1.538 -2.821 -6.072 192 2HB ALA 26 2HB ALA 26 -0.208 -2.890 -6.408 193 3HB ALA 26 3HB ALA 26 0.563 -4.169 -5.439 194 H GLY 27 H GLY 27 0.702 -6.402 -6.084 195 1HA GLY 27 1HA GLY 27 2.038 -8.413 -6.628 196 2HA GLY 27 2HA GLY 27 3.433 -7.356 -6.711 197 H ALA 28 H ALA 28 4.650 -8.139 -4.982 198 HA ALA 28 HA ALA 28 3.328 -8.478 -2.421 199 1HB ALA 28 1HB ALA 28 6.279 -8.804 -2.751 200 2HB ALA 28 2HB ALA 28 5.104 -9.830 -1.895 201 3HB ALA 28 3HB ALA 28 5.240 -9.921 -3.667 202 H PHE 29 H PHE 29 4.133 -7.397 -0.467 203 HA PHE 29 HA PHE 29 5.891 -5.170 -0.781 204 1HB PHE 29 1HB PHE 29 4.073 -3.529 -0.070 205 2HB PHE 29 2HB PHE 29 3.782 -4.203 -1.662 206 HD1 PHE 29 HD1 PHE 29 2.789 -4.437 1.892 207 HD2 PHE 29 HD2 PHE 29 1.836 -5.475 -2.110 208 HE1 PHE 29 HE1 PHE 29 0.517 -5.203 2.633 209 HE2 PHE 29 HE2 PHE 29 -0.437 -6.241 -1.370 210 HZ PHE 29 HZ PHE 29 -1.070 -6.096 0.993 211 H PHE 30 H PHE 30 5.357 -3.706 1.477 212 HA PHE 30 HA PHE 30 5.469 -5.764 3.568 213 1HB PHE 30 1HB PHE 30 6.806 -3.057 3.070 214 2HB PHE 30 2HB PHE 30 6.729 -3.695 4.700 215 HD1 PHE 30 HD1 PHE 30 8.755 -4.548 5.363 216 HD2 PHE 30 HD2 PHE 30 7.500 -5.201 1.362 217 HE1 PHE 30 HE1 PHE 30 10.827 -5.898 4.933 218 HE2 PHE 30 HE2 PHE 30 9.572 -6.550 0.932 219 HZ PHE 30 HZ PHE 30 11.211 -6.883 2.722 220 H SER 31 H SER 31 4.540 -5.226 5.671 221 HA SER 31 HA SER 31 2.496 -3.160 5.409 222 1HB SER 31 1HB SER 31 1.237 -5.124 5.530 223 2HB SER 31 2HB SER 31 2.410 -5.948 6.538 224 HG SER 31 HG SER 31 0.517 -5.386 7.758 225 H VAL 32 H VAL 32 2.113 -1.804 7.262 226 HA VAL 32 HA VAL 32 3.918 -2.219 9.522 227 HB VAL 32 HB VAL 32 3.635 0.343 7.938 228 1HG1 VAL 32 1HG1 VAL 32 4.674 1.502 9.591 229 2HG1 VAL 32 2HG1 VAL 32 3.952 0.242 10.620 230 3HG1 VAL 32 3HG1 VAL 32 5.651 0.107 10.109 231 1HG2 VAL 32 1HG2 VAL 32 5.726 -1.794 8.071 232 2HG2 VAL 32 2HG2 VAL 32 5.172 -0.816 6.691 233 3HG2 VAL 32 3HG2 VAL 32 6.258 -0.103 7.908 234 H PHE 33 H PHE 33 2.933 -1.855 11.472 235 HA PHE 33 HA PHE 33 0.151 -1.031 11.328 236 1HB PHE 33 1HB PHE 33 1.895 -2.048 13.650 237 2HB PHE 33 2HB PHE 33 0.144 -1.993 13.640 238 HD1 PHE 33 HD1 PHE 33 2.964 -4.021 13.074 239 HD2 PHE 33 HD2 PHE 33 -1.017 -3.392 11.746 240 HE1 PHE 33 HE1 PHE 33 2.896 -6.361 12.170 241 HE2 PHE 33 HE2 PHE 33 -1.085 -5.732 10.842 242 HZ PHE 33 HZ PHE 33 0.872 -7.189 11.065 243 H ILE 34 H ILE 34 -0.612 0.904 12.087 244 HA ILE 34 HA ILE 34 1.364 2.785 13.039 245 HB ILE 34 HB ILE 34 -0.268 4.444 12.643 246 1HG1 ILE 34 1HG1 ILE 34 -2.506 2.737 11.811 247 2HG1 ILE 34 2HG1 ILE 34 -2.125 2.589 13.515 248 1HG2 ILE 34 1HG2 ILE 34 0.774 3.663 10.634 249 2HG2 ILE 34 2HG2 ILE 34 -0.363 2.300 10.508 250 3HG2 ILE 34 3HG2 ILE 34 -0.945 3.967 10.286 251 1HD1 ILE 34 1HD1 ILE 34 -3.779 4.469 12.791 252 2HD1 ILE 34 2HD1 ILE 34 -2.485 4.899 13.935 253 3HD1 ILE 34 3HD1 ILE 34 -2.329 5.325 12.214 254 H ASP 35 H ASP 35 -0.966 0.549 14.317 255 HA ASP 35 HA ASP 35 -1.838 1.851 16.541 256 1HB ASP 35 1HB ASP 35 -2.699 -0.337 15.950 257 2HB ASP 35 2HB ASP 35 -1.109 -1.066 16.055 258 H ASP 36 H ASP 36 -0.970 2.112 18.695 259 HA ASP 36 HA ASP 36 0.488 1.987 20.339 260 1HB ASP 36 1HB ASP 36 1.278 -0.242 19.098 261 2HB ASP 36 2HB ASP 36 2.646 0.743 18.617 262 H ASP 37 H ASP 37 2.101 2.352 17.089 263 HA ASP 37 HA ASP 37 3.948 4.235 17.979 264 1HB ASP 37 1HB ASP 37 2.984 3.147 15.376 265 2HB ASP 37 2HB ASP 37 3.658 4.762 15.276 266 H ALA 38 H ALA 38 2.924 6.020 19.049 267 HA ALA 38 HA ALA 38 0.579 7.242 18.154 268 1HB ALA 38 1HB ALA 38 1.335 7.487 20.431 269 2HB ALA 38 2HB ALA 38 2.879 8.196 19.899 270 3HB ALA 38 3HB ALA 38 1.362 9.101 19.681 271 H ALA 39 H ALA 39 4.026 7.676 17.322 272 HA ALA 39 HA ALA 39 3.815 10.150 16.067 273 1HB ALA 39 1HB ALA 39 5.690 8.228 14.848 274 2HB ALA 39 2HB ALA 39 6.010 9.782 15.655 275 3HB ALA 39 3HB ALA 39 5.797 8.304 16.623 276 H LEU 40 H LEU 40 3.428 6.779 14.797 277 HA LEU 40 HA LEU 40 2.873 7.664 12.165 278 1HB LEU 40 1HB LEU 40 2.288 5.019 13.503 279 2HB LEU 40 2HB LEU 40 2.243 5.335 11.780 280 HG LEU 40 HG LEU 40 4.713 5.526 13.527 281 1HD1 LEU 40 1HD1 LEU 40 5.109 3.506 11.673 282 2HD1 LEU 40 2HD1 LEU 40 4.735 3.302 13.402 283 3HD1 LEU 40 3HD1 LEU 40 3.424 3.271 12.198 284 1HD2 LEU 40 1HD2 LEU 40 5.255 5.288 10.715 285 2HD2 LEU 40 2HD2 LEU 40 4.183 6.679 11.005 286 3HD2 LEU 40 3HD2 LEU 40 5.741 6.563 11.859 287 H GLU 41 H GLU 41 0.957 7.062 15.108 288 HA GLU 41 HA GLU 41 -1.514 6.980 13.819 289 1HB GLU 41 1HB GLU 41 -0.669 7.617 16.668 290 2HB GLU 41 2HB GLU 41 -2.354 7.624 16.188 291 1HG GLU 41 1HG GLU 41 -0.988 5.209 15.221 292 2HG GLU 41 2HG GLU 41 -0.826 5.374 16.958 293 H SER 42 H SER 42 0.366 9.652 15.379 294 HA SER 42 HA SER 42 -1.634 11.560 14.868 295 1HB SER 42 1HB SER 42 0.766 11.429 16.340 296 2HB SER 42 2HB SER 42 1.080 12.652 15.125 297 HG SER 42 HG SER 42 -1.435 12.797 16.437 298 H ALA 43 H ALA 43 1.125 10.225 13.078 299 HA ALA 43 HA ALA 43 1.303 12.348 11.196 300 1HB ALA 43 1HB ALA 43 2.628 10.548 9.931 301 2HB ALA 43 2HB ALA 43 3.236 11.001 11.542 302 3HB ALA 43 3HB ALA 43 2.318 9.491 11.328 303 H TYR 44 H TYR 44 -0.487 9.248 11.453 304 HA TYR 44 HA TYR 44 -1.816 9.940 8.919 305 1HB TYR 44 1HB TYR 44 -1.200 7.338 10.440 306 2HB TYR 44 2HB TYR 44 -2.334 7.364 9.104 307 HD1 TYR 44 HD1 TYR 44 -0.931 9.233 7.228 308 HD2 TYR 44 HD2 TYR 44 0.576 6.031 9.631 309 HE1 TYR 44 HE1 TYR 44 0.991 8.905 5.597 310 HE2 TYR 44 HE2 TYR 44 2.493 5.713 7.992 311 HH TYR 44 HH TYR 44 3.636 7.647 6.162 312 H GLY 45 H GLY 45 -2.575 7.787 11.740 313 1HA GLY 45 1HA GLY 45 -4.374 7.686 13.085 314 2HA GLY 45 2HA GLY 45 -4.635 9.393 12.785 315 H LEU 46 H LEU 46 -5.678 9.982 10.603 316 HA LEU 46 HA LEU 46 -7.885 8.140 10.199 317 1HB LEU 46 1HB LEU 46 -7.475 10.995 10.106 318 2HB LEU 46 2HB LEU 46 -8.191 10.436 8.607 319 HG LEU 46 HG LEU 46 -9.891 11.143 10.208 320 1HD1 LEU 46 1HD1 LEU 46 -11.382 9.504 9.689 321 2HD1 LEU 46 2HD1 LEU 46 -10.053 9.026 8.605 322 3HD1 LEU 46 3HD1 LEU 46 -10.280 8.188 10.159 323 1HD2 LEU 46 1HD2 LEU 46 -8.258 9.766 12.090 324 2HD2 LEU 46 2HD2 LEU 46 -9.711 10.753 12.381 325 3HD2 LEU 46 3HD2 LEU 46 -9.867 9.003 12.092 326 H ARG 47 H ARG 47 -4.978 9.408 8.597 327 HA ARG 47 HA ARG 47 -5.801 8.236 6.111 328 1HB ARG 47 1HB ARG 47 -3.143 9.559 6.853 329 2HB ARG 47 2HB ARG 47 -3.690 9.195 5.228 330 1HG ARG 47 1HG ARG 47 -4.816 11.159 5.129 331 2HG ARG 47 2HG ARG 47 -5.767 10.718 6.534 332 1HD ARG 47 1HD ARG 47 -4.366 11.858 8.024 333 2HD ARG 47 2HD ARG 47 -2.943 11.646 7.025 334 HE ARG 47 HE ARG 47 -3.458 13.636 5.908 335 1HH1 ARG 47 2HH2 ARG 47 -6.324 12.495 7.601 336 2HH1 ARG 47 1HH2 ARG 47 -7.249 13.919 7.260 337 1HH2 ARG 47 2HH1 ARG 47 -4.678 15.516 5.458 338 2HH2 ARG 47 1HH1 ARG 47 -6.306 15.649 6.033 339 H VAL 48 H VAL 48 -5.531 6.388 8.322 340 HA VAL 48 HA VAL 48 -3.088 5.176 8.597 341 HB VAL 48 HB VAL 48 -5.922 4.477 8.955 342 1HG1 VAL 48 1HG1 VAL 48 -5.617 2.464 7.875 343 2HG1 VAL 48 2HG1 VAL 48 -3.880 2.392 8.260 344 3HG1 VAL 48 3HG1 VAL 48 -5.086 2.034 9.519 345 1HG2 VAL 48 1HG2 VAL 48 -4.413 3.342 10.989 346 2HG2 VAL 48 2HG2 VAL 48 -3.466 4.774 10.517 347 3HG2 VAL 48 3HG2 VAL 48 -5.166 4.955 11.010 348 HA PRO 49 HA PRO 49 -4.116 2.689 4.703 349 1HB PRO 49 1HB PRO 49 -6.176 3.475 3.088 350 2HB PRO 49 2HB PRO 49 -6.336 2.224 4.305 351 1HG PRO 49 1HG PRO 49 -7.323 5.010 4.370 352 2HG PRO 49 2HG PRO 49 -7.821 3.646 5.351 353 1HD PRO 49 1HD PRO 49 -6.114 5.806 6.156 354 2HD PRO 49 2HD PRO 49 -6.519 4.383 7.096 355 H VAL 50 H VAL 50 -2.089 3.982 4.609 356 HA VAL 50 HA VAL 50 -2.302 5.775 2.289 357 HB VAL 50 HB VAL 50 -0.709 5.890 4.821 358 1HG1 VAL 50 1HG1 VAL 50 0.238 6.667 2.109 359 2HG1 VAL 50 2HG1 VAL 50 0.502 7.845 3.417 360 3HG1 VAL 50 3HG1 VAL 50 1.158 6.196 3.558 361 1HG2 VAL 50 1HG2 VAL 50 -1.778 8.264 3.341 362 2HG2 VAL 50 2HG2 VAL 50 -2.931 7.178 4.154 363 3HG2 VAL 50 3HG2 VAL 50 -1.643 7.971 5.092 364 H LEU 51 H LEU 51 -1.267 5.125 0.468 365 HA LEU 51 HA LEU 51 0.395 2.749 0.692 366 1HB LEU 51 1HB LEU 51 -1.557 3.005 -0.915 367 2HB LEU 51 2HB LEU 51 -0.557 4.132 -1.811 368 HG LEU 51 HG LEU 51 0.622 2.502 -2.790 369 1HD1 LEU 51 1HD1 LEU 51 1.928 2.061 -0.788 370 2HD1 LEU 51 2HD1 LEU 51 0.657 0.979 -0.169 371 3HD1 LEU 51 3HD1 LEU 51 1.561 0.542 -1.639 372 1HD2 LEU 51 1HD2 LEU 51 -1.100 0.315 -1.759 373 2HD2 LEU 51 2HD2 LEU 51 -1.926 1.686 -2.537 374 3HD2 LEU 51 3HD2 LEU 51 -0.686 0.771 -3.429 375 H ARG 52 H ARG 52 2.540 2.991 0.983 376 HA ARG 52 HA ARG 52 3.703 5.415 -0.127 377 1HB ARG 52 1HB ARG 52 3.850 5.049 2.396 378 2HB ARG 52 2HB ARG 52 4.829 3.628 2.087 379 1HG ARG 52 1HG ARG 52 6.411 5.162 0.744 380 2HG ARG 52 2HG ARG 52 5.506 6.518 1.388 381 1HD ARG 52 1HD ARG 52 6.546 6.371 3.412 382 2HD ARG 52 2HD ARG 52 6.231 4.651 3.532 383 HE ARG 52 HE ARG 52 8.366 5.353 1.631 384 1HH1 ARG 52 2HH2 ARG 52 7.587 4.498 4.955 385 2HH1 ARG 52 1HH2 ARG 52 9.188 3.947 5.322 386 1HH2 ARG 52 2HH1 ARG 52 10.477 4.626 2.116 387 2HH2 ARG 52 1HH1 ARG 52 10.842 4.020 3.696 388 H ASP 53 H ASP 53 5.845 5.221 -1.177 389 HA ASP 53 HA ASP 53 6.226 2.525 -2.210 390 1HB ASP 53 1HB ASP 53 6.218 5.197 -3.418 391 2HB ASP 53 2HB ASP 53 7.727 4.374 -3.760 392 HA PRO 54 HA PRO 54 10.333 2.653 -0.667 393 1HB PRO 54 1HB PRO 54 11.876 1.529 -2.623 394 2HB PRO 54 2HB PRO 54 10.881 0.589 -1.529 395 1HG PRO 54 1HG PRO 54 10.408 1.232 -4.376 396 2HG PRO 54 2HG PRO 54 9.676 -0.024 -3.398 397 1HD PRO 54 1HD PRO 54 8.475 2.461 -4.178 398 2HD PRO 54 2HD PRO 54 7.789 1.257 -3.106 399 H MET 55 H MET 55 9.770 4.299 -3.612 400 HA MET 55 HA MET 55 12.299 5.514 -3.727 401 1HB MET 55 1HB MET 55 9.578 5.871 -4.993 402 2HB MET 55 2HB MET 55 10.678 7.231 -5.110 403 1HG MET 55 1HG MET 55 12.438 5.441 -5.927 404 2HG MET 55 2HG MET 55 11.041 4.420 -6.204 405 1HE MET 55 1HE MET 55 12.568 7.971 -6.884 406 2HE MET 55 2HE MET 55 13.392 6.688 -7.803 407 3HE MET 55 3HE MET 55 12.464 7.942 -8.660 408 H GLY 56 H GLY 56 9.085 6.507 -2.397 409 1HA GLY 56 1HA GLY 56 9.400 7.736 -0.226 410 2HA GLY 56 2HA GLY 56 10.416 8.831 -1.143 411 H ARG 57 H ARG 57 7.257 7.201 -1.916 412 HA ARG 57 HA ARG 57 6.126 9.865 -2.134 413 1HB ARG 57 1HB ARG 57 5.457 7.642 -4.111 414 2HB ARG 57 2HB ARG 57 5.056 9.342 -4.243 415 1HG ARG 57 1HG ARG 57 7.783 9.526 -4.057 416 2HG ARG 57 2HG ARG 57 7.645 7.951 -4.813 417 1HD ARG 57 1HD ARG 57 7.205 8.926 -6.814 418 2HD ARG 57 2HD ARG 57 5.783 9.702 -6.145 419 HE ARG 57 HE ARG 57 7.965 11.223 -5.227 420 1HH1 ARG 57 2HH2 ARG 57 6.600 10.326 -8.344 421 2HH1 ARG 57 1HH2 ARG 57 7.146 11.764 -9.140 422 1HH2 ARG 57 2HH1 ARG 57 8.686 13.120 -6.277 423 2HH2 ARG 57 1HH1 ARG 57 8.340 13.364 -7.957 424 H GLU 58 H GLU 58 3.714 9.884 -1.905 425 HA GLU 58 HA GLU 58 2.734 7.421 -0.695 426 1HB GLU 58 1HB GLU 58 2.236 10.254 0.323 427 2HB GLU 58 2HB GLU 58 1.505 8.803 0.981 428 1HG GLU 58 1HG GLU 58 3.822 7.910 1.475 429 2HG GLU 58 2HG GLU 58 4.495 9.426 0.911 430 H LEU 59 H LEU 59 0.364 7.131 -0.837 431 HA LEU 59 HA LEU 59 -0.825 8.823 -2.922 432 1HB LEU 59 1HB LEU 59 -0.040 6.590 -3.743 433 2HB LEU 59 2HB LEU 59 -1.183 5.838 -2.648 434 HG LEU 59 HG LEU 59 -3.049 6.954 -3.818 435 1HD1 LEU 59 1HD1 LEU 59 -2.171 8.946 -4.674 436 2HD1 LEU 59 2HD1 LEU 59 -0.822 8.115 -5.486 437 3HD1 LEU 59 3HD1 LEU 59 -2.479 7.946 -6.114 438 1HD2 LEU 59 1HD2 LEU 59 -2.028 5.750 -6.184 439 2HD2 LEU 59 2HD2 LEU 59 -1.399 4.838 -4.791 440 3HD2 LEU 59 3HD2 LEU 59 -3.153 5.072 -4.983 441 H ASP 60 H ASP 60 -3.053 9.293 -2.689 442 HA ASP 60 HA ASP 60 -3.899 9.584 -0.104 443 1HB ASP 60 1HB ASP 60 -4.764 10.388 -2.608 444 2HB ASP 60 2HB ASP 60 -6.041 9.276 -2.157 445 H TRP 61 H TRP 61 -5.710 8.483 1.061 446 HA TRP 61 HA TRP 61 -5.544 5.701 0.965 447 1HB TRP 61 1HB TRP 61 -6.255 6.216 3.007 448 2HB TRP 61 2HB TRP 61 -6.953 7.739 2.494 449 HD1 TRP 61 HD1 TRP 61 -9.437 7.675 3.306 450 HE1 TRP 61 HE1 TRP 61 -11.502 6.034 3.220 451 HE3 TRP 61 HE3 TRP 61 -6.933 3.795 1.176 452 HZ2 TRP 61 HZ2 TRP 61 -11.848 3.357 2.292 453 HZ3 TRP 61 HZ3 TRP 61 -8.209 1.704 0.714 454 HH2 TRP 61 HH2 TRP 61 -10.583 1.448 1.236 455 HA PRO 62 HA PRO 62 -9.636 6.017 -1.412 456 1HB PRO 62 1HB PRO 62 -10.551 8.447 -2.267 457 2HB PRO 62 2HB PRO 62 -11.084 7.692 -0.778 458 1HG PRO 62 1HG PRO 62 -9.221 9.958 -1.143 459 2HG PRO 62 2HG PRO 62 -10.086 9.470 0.301 460 1HD PRO 62 1HD PRO 62 -7.309 9.032 -0.267 461 2HD PRO 62 2HD PRO 62 -8.200 8.443 1.122 462 H PHE 63 H PHE 63 -8.937 4.881 -3.117 463 HA PHE 63 HA PHE 63 -8.188 6.515 -5.391 464 1HB PHE 63 1HB PHE 63 -6.272 4.616 -5.608 465 2HB PHE 63 2HB PHE 63 -5.975 6.072 -4.678 466 HD1 PHE 63 HD1 PHE 63 -8.075 3.174 -3.685 467 HD2 PHE 63 HD2 PHE 63 -4.463 5.312 -3.060 468 HE1 PHE 63 HE1 PHE 63 -7.602 1.781 -1.652 469 HE2 PHE 63 HE2 PHE 63 -3.989 3.918 -1.027 470 HZ PHE 63 HZ PHE 63 -5.565 2.169 -0.347 471 H ASP 64 H ASP 64 -7.512 4.655 -7.240 472 HA ASP 64 HA ASP 64 -9.688 2.721 -7.065 473 1HB ASP 64 1HB ASP 64 -8.666 4.002 -9.635 474 2HB ASP 64 2HB ASP 64 -10.104 3.019 -9.444 475 H ALA 65 H ALA 65 -9.139 1.209 -9.359 476 HA ALA 65 HA ALA 65 -6.731 -0.131 -8.586 477 1HB ALA 65 1HB ALA 65 -8.061 -0.924 -11.102 478 2HB ALA 65 2HB ALA 65 -7.687 -1.888 -9.654 479 3HB ALA 65 3HB ALA 65 -9.147 -0.871 -9.693 480 HA PRO 66 HA PRO 66 -5.440 1.574 -12.810 481 1HB PRO 66 1HB PRO 66 -6.970 3.473 -14.044 482 2HB PRO 66 2HB PRO 66 -7.080 1.764 -14.415 483 1HG PRO 66 1HG PRO 66 -8.943 3.445 -12.853 484 2HG PRO 66 2HG PRO 66 -9.230 1.879 -13.586 485 1HD PRO 66 1HD PRO 66 -8.770 2.414 -10.806 486 2HD PRO 66 2HD PRO 66 -8.940 0.840 -11.556 487 H ARG 67 H ARG 67 -6.807 3.598 -10.422 488 HA ARG 67 HA ARG 67 -5.093 5.766 -11.105 489 1HB ARG 67 1HB ARG 67 -7.482 5.573 -9.740 490 2HB ARG 67 2HB ARG 67 -6.364 5.686 -8.396 491 1HG ARG 67 1HG ARG 67 -5.685 7.848 -8.947 492 2HG ARG 67 2HG ARG 67 -5.951 7.616 -10.664 493 1HD ARG 67 1HD ARG 67 -8.505 7.353 -9.338 494 2HD ARG 67 2HD ARG 67 -7.733 8.803 -8.726 495 HE ARG 67 HE ARG 67 -7.527 8.587 -11.629 496 1HH1 ARG 67 2HH2 ARG 67 -9.622 9.597 -8.988 497 2HH1 ARG 67 1HH2 ARG 67 -10.518 10.718 -9.958 498 1HH2 ARG 67 2HH1 ARG 67 -8.708 10.066 -12.909 499 2HH2 ARG 67 1HH1 ARG 67 -9.995 10.986 -12.203 500 H LEU 68 H LEU 68 -5.172 2.995 -8.862 501 HA LEU 68 HA LEU 68 -2.983 3.972 -7.285 502 1HB LEU 68 1HB LEU 68 -4.873 2.557 -6.446 503 2HB LEU 68 2HB LEU 68 -4.216 1.218 -7.366 504 HG LEU 68 HG LEU 68 -2.056 2.172 -5.842 505 1HD1 LEU 68 1HD1 LEU 68 -3.930 1.606 -3.697 506 2HD1 LEU 68 2HD1 LEU 68 -2.749 2.927 -3.869 507 3HD1 LEU 68 3HD1 LEU 68 -4.371 3.084 -4.586 508 1HD2 LEU 68 1HD2 LEU 68 -2.582 -0.165 -6.498 509 2HD2 LEU 68 2HD2 LEU 68 -2.148 0.012 -4.781 510 3HD2 LEU 68 3HD2 LEU 68 -3.852 -0.195 -5.252 511 H ARG 69 H ARG 69 -3.522 1.703 -10.014 512 HA ARG 69 HA ARG 69 -0.941 0.661 -9.948 513 1HB ARG 69 1HB ARG 69 -3.071 -0.217 -11.175 514 2HB ARG 69 2HB ARG 69 -2.670 0.918 -12.449 515 1HG ARG 69 1HG ARG 69 -0.397 -0.785 -11.531 516 2HG ARG 69 2HG ARG 69 -1.704 -1.660 -12.303 517 1HD ARG 69 1HD ARG 69 -1.107 0.777 -13.806 518 2HD ARG 69 2HD ARG 69 0.354 -0.165 -13.582 519 HE ARG 69 HE ARG 69 -1.773 -1.930 -14.353 520 1HH1 ARG 69 2HH2 ARG 69 0.274 0.602 -15.688 521 2HH1 ARG 69 1HH2 ARG 69 0.182 -0.001 -17.309 522 1HH2 ARG 69 2HH1 ARG 69 -1.895 -2.726 -16.492 523 2HH2 ARG 69 1HH1 ARG 69 -1.060 -1.907 -17.769 524 H ALA 70 H ALA 70 -2.512 3.306 -11.870 525 HA ALA 70 HA ALA 70 -0.368 3.935 -13.492 526 1HB ALA 70 1HB ALA 70 -1.548 6.324 -13.235 527 2HB ALA 70 2HB ALA 70 -2.323 4.986 -14.117 528 3HB ALA 70 3HB ALA 70 -2.799 5.339 -12.438 529 H TRP 71 H TRP 71 -1.013 4.663 -10.064 530 HA TRP 71 HA TRP 71 1.018 6.652 -9.874 531 1HB TRP 71 1HB TRP 71 -0.883 6.674 -8.386 532 2HB TRP 71 2HB TRP 71 -0.497 5.071 -7.792 533 HD1 TRP 71 HD1 TRP 71 0.931 8.683 -7.642 534 HE1 TRP 71 HE1 TRP 71 2.429 9.011 -5.494 535 HE3 TRP 71 HE3 TRP 71 0.763 3.827 -6.142 536 HZ2 TRP 71 HZ2 TRP 71 3.354 7.242 -3.455 537 HZ3 TRP 71 HZ3 TRP 71 1.991 3.211 -4.062 538 HH2 TRP 71 HH2 TRP 71 3.255 4.827 -2.734 539 H LEU 72 H LEU 72 0.701 3.108 -9.318 540 HA LEU 72 HA LEU 72 3.227 2.780 -8.135 541 1HB LEU 72 1HB LEU 72 1.405 0.870 -9.601 542 2HB LEU 72 2HB LEU 72 2.874 0.382 -8.779 543 HG LEU 72 HG LEU 72 0.811 1.913 -7.236 544 1HD1 LEU 72 1HD1 LEU 72 -0.789 0.385 -7.380 545 2HD1 LEU 72 2HD1 LEU 72 0.152 -0.445 -8.643 546 3HD1 LEU 72 3HD1 LEU 72 0.351 -0.908 -6.935 547 1HD2 LEU 72 1HD2 LEU 72 1.749 0.916 -5.363 548 2HD2 LEU 72 2HD2 LEU 72 2.426 -0.442 -6.293 549 3HD2 LEU 72 3HD2 LEU 72 3.157 1.176 -6.421 550 H ASP 73 H ASP 73 2.059 2.343 -11.543 551 HA ASP 73 HA ASP 73 4.459 1.573 -12.587 552 1HB ASP 73 1HB ASP 73 2.036 1.841 -13.629 553 2HB ASP 73 2HB ASP 73 2.595 3.437 -14.089 554 H ALA 74 H ALA 74 3.090 4.824 -11.866 555 HA ALA 74 HA ALA 74 4.808 6.441 -13.250 556 1HB ALA 74 1HB ALA 74 3.073 6.617 -10.863 557 2HB ALA 74 2HB ALA 74 4.401 7.802 -10.889 558 3HB ALA 74 3HB ALA 74 3.243 7.734 -12.239 559 H ALA 75 H ALA 75 5.451 4.310 -10.536 560 HA ALA 75 HA ALA 75 8.165 5.434 -10.403 561 1HB ALA 75 1HB ALA 75 7.388 3.996 -8.005 562 2HB ALA 75 2HB ALA 75 7.952 5.676 -8.179 563 3HB ALA 75 3HB ALA 75 6.222 5.296 -8.350 564 HA PRO 76 HA PRO 76 9.551 1.396 -11.111 565 1HB PRO 76 1HB PRO 76 11.720 1.086 -9.478 566 2HB PRO 76 2HB PRO 76 11.772 1.988 -10.979 567 1HG PRO 76 1HG PRO 76 11.726 3.008 -8.205 568 2HG PRO 76 2HG PRO 76 12.199 3.840 -9.673 569 1HD PRO 76 1HD PRO 76 9.730 4.147 -8.246 570 2HD PRO 76 2HD PRO 76 10.156 4.891 -9.775 571 H HIS 77 H HIS 77 10.125 -0.852 -10.268 572 HA HIS 77 HA HIS 77 8.782 -1.252 -7.717 573 1HB HIS 77 1HB HIS 77 7.666 -3.303 -8.841 574 2HB HIS 77 2HB HIS 77 6.946 -1.716 -9.029 575 HD1 HIS 77 HD1 HIS 77 7.450 -0.474 -11.395 576 HD2 HIS 77 HD2 HIS 77 8.340 -4.569 -11.203 577 HE1 HIS 77 HE1 HIS 77 7.666 -1.272 -13.808 578 H ALA 78 H ALA 78 9.004 -3.836 -7.240 579 HA ALA 78 HA ALA 78 11.293 -5.082 -8.323 580 1HB ALA 78 1HB ALA 78 12.924 -4.699 -6.710 581 2HB ALA 78 2HB ALA 78 12.148 -3.099 -6.799 582 3HB ALA 78 3HB ALA 78 11.738 -4.215 -5.473 Start of MODEL 6 1 1H MET 1 1H MET 1 11.250 -4.110 -5.284 2 HA MET 1 HA MET 1 11.703 -1.638 -4.007 3 1HB MET 1 1HB MET 1 10.421 -1.684 -6.794 4 2HB MET 1 2HB MET 1 10.282 -0.318 -5.705 5 1HG MET 1 1HG MET 1 12.983 -1.460 -6.552 6 2HG MET 1 2HG MET 1 12.174 -0.197 -7.459 7 1HE MET 1 1HE MET 1 15.274 0.651 -5.126 8 2HE MET 1 2HE MET 1 14.538 -0.455 -3.941 9 3HE MET 1 3HE MET 1 14.693 -0.950 -5.644 10 H ALA 2 H ALA 2 10.532 -2.877 -2.379 11 HA ALA 2 HA ALA 2 7.852 -3.723 -3.003 12 1HB ALA 2 1HB ALA 2 8.496 -5.156 -1.385 13 2HB ALA 2 2HB ALA 2 9.855 -4.113 -0.903 14 3HB ALA 2 3HB ALA 2 8.232 -3.824 -0.234 15 H LEU 3 H LEU 3 6.084 -3.020 -1.298 16 HA LEU 3 HA LEU 3 6.293 -0.100 -1.045 17 1HB LEU 3 1HB LEU 3 3.892 -1.826 -1.659 18 2HB LEU 3 2HB LEU 3 3.810 -0.117 -1.279 19 HG LEU 3 HG LEU 3 5.635 -0.875 -3.500 20 1HD1 LEU 3 1HD1 LEU 3 3.516 -2.320 -3.698 21 2HD1 LEU 3 2HD1 LEU 3 2.675 -0.793 -4.058 22 3HD1 LEU 3 3HD1 LEU 3 4.006 -1.345 -5.104 23 1HD2 LEU 3 1HD2 LEU 3 3.818 1.398 -2.778 24 2HD2 LEU 3 2HD2 LEU 3 5.542 1.407 -3.219 25 3HD2 LEU 3 3HD2 LEU 3 4.304 1.161 -4.473 26 H THR 4 H THR 4 4.341 0.560 0.646 27 HA THR 4 HA THR 4 4.312 -1.279 2.888 28 HB THR 4 HB THR 4 5.683 1.460 2.958 29 HG1 THR 4 HG1 THR 4 7.489 0.107 3.170 30 1HG2 THR 4 1HG2 THR 4 4.426 -0.157 5.081 31 2HG2 THR 4 2HG2 THR 4 6.177 0.032 5.339 32 3HG2 THR 4 3HG2 THR 4 5.139 1.470 5.185 33 H LEU 5 H LEU 5 2.170 -1.436 3.175 34 HA LEU 5 HA LEU 5 0.652 1.071 3.064 35 1HB LEU 5 1HB LEU 5 -0.230 -0.362 1.470 36 2HB LEU 5 2HB LEU 5 -0.018 -1.786 2.468 37 HG LEU 5 HG LEU 5 -1.801 -0.428 3.992 38 1HD1 LEU 5 1HD1 LEU 5 -3.559 0.445 2.420 39 2HD1 LEU 5 2HD1 LEU 5 -2.096 1.449 2.560 40 3HD1 LEU 5 3HD1 LEU 5 -2.329 0.410 1.134 41 1HD2 LEU 5 1HD2 LEU 5 -2.573 -2.502 3.679 42 2HD2 LEU 5 2HD2 LEU 5 -3.480 -1.812 2.312 43 3HD2 LEU 5 3HD2 LEU 5 -1.910 -2.604 2.030 44 H TYR 6 H TYR 6 0.028 1.954 4.956 45 HA TYR 6 HA TYR 6 0.446 0.456 7.377 46 1HB TYR 6 1HB TYR 6 -0.542 3.241 6.534 47 2HB TYR 6 2HB TYR 6 -0.532 2.772 8.223 48 HD1 TYR 6 HD1 TYR 6 1.451 3.955 5.437 49 HD2 TYR 6 HD2 TYR 6 1.672 2.212 9.338 50 HE1 TYR 6 HE1 TYR 6 3.882 4.677 5.630 51 HE2 TYR 6 HE2 TYR 6 4.101 2.940 9.518 52 HH TYR 6 HH TYR 6 5.601 4.431 8.633 53 H GLN 7 H GLN 7 -1.106 -0.323 8.805 54 HA GLN 7 HA GLN 7 -3.868 0.139 8.034 55 1HB GLN 7 1HB GLN 7 -4.428 -2.221 8.273 56 2HB GLN 7 2HB GLN 7 -3.142 -2.062 7.094 57 1HG GLN 7 1HG GLN 7 -1.461 -2.593 8.899 58 2HG GLN 7 2HG GLN 7 -2.779 -2.823 10.031 59 1HE2 GLN 7 1HE2 GLN 7 -4.561 -4.317 9.199 60 2HE2 GLN 7 2HE2 GLN 7 -4.058 -5.806 8.471 61 H ARG 8 H ARG 8 -5.410 -0.605 9.875 62 HA ARG 8 HA ARG 8 -4.034 -0.181 12.406 63 1HB ARG 8 1HB ARG 8 -5.965 1.496 11.194 64 2HB ARG 8 2HB ARG 8 -6.871 0.619 12.411 65 1HG ARG 8 1HG ARG 8 -4.287 2.173 12.909 66 2HG ARG 8 2HG ARG 8 -5.898 2.722 13.329 67 1HD ARG 8 1HD ARG 8 -5.904 0.272 14.567 68 2HD ARG 8 2HD ARG 8 -4.194 0.646 14.655 69 HE ARG 8 HE ARG 8 -4.678 2.274 16.254 70 1HH1 ARG 8 2HH2 ARG 8 -7.595 1.620 14.397 71 2HH1 ARG 8 1HH2 ARG 8 -8.598 2.641 15.373 72 1HH2 ARG 8 2HH1 ARG 8 -6.002 3.621 17.541 73 2HH2 ARG 8 1HH1 ARG 8 -7.686 3.787 17.173 74 H ASP 9 H ASP 9 -4.591 -2.750 11.158 75 HA ASP 9 HA ASP 9 -5.221 -4.711 11.904 76 1HB ASP 9 1HB ASP 9 -5.537 -3.309 14.211 77 2HB ASP 9 2HB ASP 9 -7.221 -3.680 13.899 78 H ASP 10 H ASP 10 -7.947 -2.312 12.284 79 HA ASP 10 HA ASP 10 -10.058 -3.764 11.693 80 1HB ASP 10 1HB ASP 10 -9.574 -1.097 11.831 81 2HB ASP 10 2HB ASP 10 -9.794 -1.226 10.097 82 H CYS 11 H CYS 11 -10.587 -5.174 10.016 83 HA CYS 11 HA CYS 11 -9.063 -4.946 7.557 84 1HB CYS 11 1HB CYS 11 -9.921 -7.197 7.058 85 2HB CYS 11 2HB CYS 11 -9.099 -7.141 8.605 86 HG CYS 11 HG CYS 11 -10.869 -8.020 9.896 87 H HIS 12 H HIS 12 -10.341 -2.863 7.110 88 HA HIS 12 HA HIS 12 -12.622 -3.574 5.504 89 1HB HIS 12 1HB HIS 12 -12.841 -2.061 8.055 90 2HB HIS 12 2HB HIS 12 -13.727 -1.412 6.689 91 HD1 HIS 12 HD1 HIS 12 -14.576 -3.211 9.449 92 HD2 HIS 12 HD2 HIS 12 -14.948 -4.133 5.374 93 HE1 HIS 12 HE1 HIS 12 -16.413 -4.973 9.280 94 H LEU 13 H LEU 13 -11.474 -0.440 6.915 95 HA LEU 13 HA LEU 13 -11.504 0.888 4.487 96 1HB LEU 13 1HB LEU 13 -11.377 1.702 6.957 97 2HB LEU 13 2HB LEU 13 -9.643 1.626 6.720 98 HG LEU 13 HG LEU 13 -9.809 3.209 4.845 99 1HD1 LEU 13 1HD1 LEU 13 -12.062 4.452 4.648 100 2HD1 LEU 13 2HD1 LEU 13 -11.887 2.869 3.854 101 3HD1 LEU 13 3HD1 LEU 13 -12.760 2.997 5.399 102 1HD2 LEU 13 1HD2 LEU 13 -10.854 5.153 6.322 103 2HD2 LEU 13 2HD2 LEU 13 -10.763 3.901 7.585 104 3HD2 LEU 13 3HD2 LEU 13 -9.291 4.399 6.717 105 H CYS 14 H CYS 14 -8.832 -0.843 6.193 106 HA CYS 14 HA CYS 14 -6.962 -0.194 4.152 107 1HB CYS 14 1HB CYS 14 -6.056 -0.528 6.315 108 2HB CYS 14 2HB CYS 14 -6.902 -2.046 6.540 109 HG CYS 14 HG CYS 14 -5.082 -1.782 3.862 110 H ASP 15 H ASP 15 -9.204 -2.869 4.970 111 HA ASP 15 HA ASP 15 -8.223 -4.845 3.412 112 1HB ASP 15 1HB ASP 15 -10.226 -4.971 4.931 113 2HB ASP 15 2HB ASP 15 -11.157 -4.064 3.756 114 H GLN 16 H GLN 16 -10.665 -2.284 2.524 115 HA GLN 16 HA GLN 16 -10.928 -3.036 -0.111 116 1HB GLN 16 1HB GLN 16 -11.509 -0.587 1.506 117 2HB GLN 16 2HB GLN 16 -11.456 -0.364 -0.231 118 1HG GLN 16 1HG GLN 16 -12.956 -2.638 -0.139 119 2HG GLN 16 2HG GLN 16 -13.381 -1.966 1.423 120 1HE2 GLN 16 1HE2 GLN 16 -14.866 -0.447 1.542 121 2HE2 GLN 16 2HE2 GLN 16 -15.537 0.452 0.222 122 H ALA 17 H ALA 17 -8.349 -1.339 1.562 123 HA ALA 17 HA ALA 17 -7.296 -0.026 -0.731 124 1HB ALA 17 1HB ALA 17 -6.771 -0.249 2.118 125 2HB ALA 17 2HB ALA 17 -5.261 -0.405 1.190 126 3HB ALA 17 3HB ALA 17 -6.290 1.032 0.979 127 H VAL 18 H VAL 18 -6.576 -3.090 1.057 128 HA VAL 18 HA VAL 18 -4.394 -3.829 -0.514 129 HB VAL 18 HB VAL 18 -6.397 -5.434 1.081 130 1HG1 VAL 18 1HG1 VAL 18 -3.669 -6.393 0.185 131 2HG1 VAL 18 2HG1 VAL 18 -4.978 -7.328 0.945 132 3HG1 VAL 18 3HG1 VAL 18 -5.158 -6.740 -0.725 133 1HG2 VAL 18 1HG2 VAL 18 -5.306 -4.144 2.650 134 2HG2 VAL 18 2HG2 VAL 18 -4.223 -5.554 2.573 135 3HG2 VAL 18 3HG2 VAL 18 -3.802 -4.061 1.701 136 H GLU 19 H GLU 19 -7.926 -4.151 -0.958 137 HA GLU 19 HA GLU 19 -7.855 -6.035 -2.970 138 1HB GLU 19 1HB GLU 19 -9.805 -4.547 -1.635 139 2HB GLU 19 2HB GLU 19 -9.954 -3.982 -3.287 140 1HG GLU 19 1HG GLU 19 -9.639 -6.923 -3.089 141 2HG GLU 19 2HG GLU 19 -11.068 -6.329 -2.268 142 H ALA 20 H ALA 20 -7.853 -2.409 -3.141 143 HA ALA 20 HA ALA 20 -7.831 -2.194 -5.898 144 1HB ALA 20 1HB ALA 20 -6.295 -0.313 -4.103 145 2HB ALA 20 2HB ALA 20 -7.321 0.057 -5.509 146 3HB ALA 20 3HB ALA 20 -8.066 -0.434 -3.969 147 H LEU 21 H LEU 21 -5.160 -2.717 -3.540 148 HA LEU 21 HA LEU 21 -3.063 -2.364 -5.335 149 1HB LEU 21 1HB LEU 21 -3.483 -3.450 -2.651 150 2HB LEU 21 2HB LEU 21 -2.177 -4.235 -3.516 151 HG LEU 21 HG LEU 21 -2.345 -1.228 -3.305 152 1HD1 LEU 21 1HD1 LEU 21 -0.697 -1.474 -1.398 153 2HD1 LEU 21 2HD1 LEU 21 -2.390 -1.885 -1.033 154 3HD1 LEU 21 3HD1 LEU 21 -1.197 -3.179 -1.302 155 1HD2 LEU 21 1HD2 LEU 21 -0.400 -3.201 -4.328 156 2HD2 LEU 21 2HD2 LEU 21 -0.687 -1.509 -4.798 157 3HD2 LEU 21 3HD2 LEU 21 0.289 -1.879 -3.356 158 H ALA 22 H ALA 22 -4.636 -5.446 -4.212 159 HA ALA 22 HA ALA 22 -3.262 -7.116 -5.927 160 1HB ALA 22 1HB ALA 22 -5.225 -7.330 -3.976 161 2HB ALA 22 2HB ALA 22 -6.067 -7.866 -5.450 162 3HB ALA 22 3HB ALA 22 -4.567 -8.675 -4.938 163 H GLN 23 H GLN 23 -6.379 -5.334 -6.399 164 HA GLN 23 HA GLN 23 -6.949 -6.388 -8.872 165 1HB GLN 23 1HB GLN 23 -7.656 -3.803 -7.469 166 2HB GLN 23 2HB GLN 23 -8.155 -4.041 -9.132 167 1HG GLN 23 1HG GLN 23 -8.802 -6.477 -7.832 168 2HG GLN 23 2HG GLN 23 -9.247 -5.229 -6.685 169 1HE2 GLN 23 1HE2 GLN 23 -11.328 -6.424 -7.379 170 2HE2 GLN 23 2HE2 GLN 23 -12.266 -5.665 -8.622 171 H ALA 24 H ALA 24 -4.875 -3.611 -7.907 172 HA ALA 24 HA ALA 24 -4.392 -2.839 -10.623 173 1HB ALA 24 1HB ALA 24 -4.352 -1.127 -8.952 174 2HB ALA 24 2HB ALA 24 -3.235 -2.057 -7.925 175 3HB ALA 24 3HB ALA 24 -2.663 -1.362 -9.461 176 H ARG 25 H ARG 25 -3.526 -5.535 -8.868 177 HA ARG 25 HA ARG 25 -1.920 -6.986 -8.937 178 1HB ARG 25 1HB ARG 25 -2.192 -5.986 -11.717 179 2HB ARG 25 2HB ARG 25 -0.643 -6.749 -11.420 180 1HG ARG 25 1HG ARG 25 -2.647 -8.394 -10.175 181 2HG ARG 25 2HG ARG 25 -3.229 -8.001 -11.781 182 1HD ARG 25 1HD ARG 25 -0.546 -8.583 -12.267 183 2HD ARG 25 2HD ARG 25 -0.931 -9.700 -10.973 184 HE ARG 25 HE ARG 25 -3.085 -9.898 -12.758 185 1HH1 ARG 25 2HH2 ARG 25 0.397 -10.379 -12.925 186 2HH1 ARG 25 1HH2 ARG 25 0.300 -11.579 -14.171 187 1HH2 ARG 25 2HH1 ARG 25 -3.214 -11.480 -14.402 188 2HH2 ARG 25 1HH1 ARG 25 -1.768 -12.209 -15.017 189 H ALA 26 H ALA 26 -1.150 -4.539 -7.690 190 HA ALA 26 HA ALA 26 1.136 -3.331 -8.592 191 1HB ALA 26 1HB ALA 26 -0.453 -3.073 -6.436 192 2HB ALA 26 2HB ALA 26 0.903 -3.935 -5.671 193 3HB ALA 26 3HB ALA 26 1.187 -2.384 -6.498 194 H GLY 27 H GLY 27 1.076 -5.961 -6.078 195 1HA GLY 27 1HA GLY 27 2.610 -7.869 -7.046 196 2HA GLY 27 2HA GLY 27 3.828 -6.634 -6.800 197 H ALA 28 H ALA 28 4.975 -7.349 -5.025 198 HA ALA 28 HA ALA 28 3.422 -8.222 -2.702 199 1HB ALA 28 1HB ALA 28 6.408 -8.446 -3.244 200 2HB ALA 28 2HB ALA 28 5.478 -9.269 -1.968 201 3HB ALA 28 3HB ALA 28 5.219 -9.698 -3.676 202 H PHE 29 H PHE 29 3.995 -7.371 -0.563 203 HA PHE 29 HA PHE 29 5.683 -5.078 -0.418 204 1HB PHE 29 1HB PHE 29 3.687 -3.621 0.343 205 2HB PHE 29 2HB PHE 29 3.705 -3.987 -1.371 206 HD1 PHE 29 HD1 PHE 29 1.872 -5.039 -2.378 207 HD2 PHE 29 HD2 PHE 29 2.217 -5.081 1.851 208 HE1 PHE 29 HE1 PHE 29 -0.443 -5.991 -2.199 209 HE2 PHE 29 HE2 PHE 29 -0.099 -6.033 2.030 210 HZ PHE 29 HZ PHE 29 -1.401 -6.477 0.003 211 H PHE 30 H PHE 30 5.141 -3.953 1.914 212 HA PHE 30 HA PHE 30 4.850 -6.225 3.751 213 1HB PHE 30 1HB PHE 30 6.420 -3.580 3.868 214 2HB PHE 30 2HB PHE 30 6.327 -4.695 5.218 215 HD1 PHE 30 HD1 PHE 30 6.883 -7.262 4.361 216 HD2 PHE 30 HD2 PHE 30 8.400 -3.658 2.714 217 HE1 PHE 30 HE1 PHE 30 8.871 -8.507 3.469 218 HE2 PHE 30 HE2 PHE 30 10.389 -4.903 1.822 219 HZ PHE 30 HZ PHE 30 10.601 -7.313 2.210 220 H SER 31 H SER 31 3.672 -5.912 5.714 221 HA SER 31 HA SER 31 1.868 -3.641 5.527 222 1HB SER 31 1HB SER 31 1.622 -6.453 6.523 223 2HB SER 31 2HB SER 31 0.725 -5.242 7.417 224 HG SER 31 HG SER 31 0.586 -5.382 4.540 225 H VAL 32 H VAL 32 1.728 -2.129 7.210 226 HA VAL 32 HA VAL 32 3.384 -2.692 9.569 227 HB VAL 32 HB VAL 32 3.193 -0.142 7.958 228 1HG1 VAL 32 1HG1 VAL 32 3.706 1.001 9.801 229 2HG1 VAL 32 2HG1 VAL 32 3.700 -0.498 10.761 230 3HG1 VAL 32 3HG1 VAL 32 5.197 0.042 9.965 231 1HG2 VAL 32 1HG2 VAL 32 5.843 -1.249 8.567 232 2HG2 VAL 32 2HG2 VAL 32 4.835 -2.330 7.575 233 3HG2 VAL 32 3HG2 VAL 32 5.167 -0.669 7.026 234 H PHE 33 H PHE 33 2.462 -2.178 11.542 235 HA PHE 33 HA PHE 33 -0.306 -1.249 11.369 236 1HB PHE 33 1HB PHE 33 1.233 -2.497 13.715 237 2HB PHE 33 2HB PHE 33 -0.509 -2.416 13.536 238 HD1 PHE 33 HD1 PHE 33 2.546 -4.049 12.265 239 HD2 PHE 33 HD2 PHE 33 -1.697 -4.076 12.314 240 HE1 PHE 33 HE1 PHE 33 2.549 -6.329 11.214 241 HE2 PHE 33 HE2 PHE 33 -1.695 -6.355 11.263 242 HZ PHE 33 HZ PHE 33 0.428 -7.455 10.726 243 H ILE 34 H ILE 34 -0.707 0.844 11.887 244 HA ILE 34 HA ILE 34 1.309 2.435 13.094 245 HB ILE 34 HB ILE 34 -0.217 4.235 12.826 246 1HG1 ILE 34 1HG1 ILE 34 -2.516 2.653 11.854 247 2HG1 ILE 34 2HG1 ILE 34 -2.197 2.500 13.571 248 1HG2 ILE 34 1HG2 ILE 34 -0.796 4.035 10.439 249 2HG2 ILE 34 2HG2 ILE 34 0.850 3.454 10.792 250 3HG2 ILE 34 3HG2 ILE 34 -0.466 2.287 10.518 251 1HD1 ILE 34 1HD1 ILE 34 -2.358 5.195 12.155 252 2HD1 ILE 34 2HD1 ILE 34 -3.753 4.413 12.936 253 3HD1 ILE 34 3HD1 ILE 34 -2.342 4.895 13.909 254 H ASP 35 H ASP 35 -0.846 0.146 14.344 255 HA ASP 35 HA ASP 35 -1.508 1.559 16.713 256 1HB ASP 35 1HB ASP 35 -2.785 -0.406 15.597 257 2HB ASP 35 2HB ASP 35 -1.561 -1.458 16.279 258 H ASP 36 H ASP 36 0.979 2.092 16.977 259 HA ASP 36 HA ASP 36 1.951 0.569 19.071 260 1HB ASP 36 1HB ASP 36 2.545 -1.049 17.272 261 2HB ASP 36 2HB ASP 36 3.414 0.208 16.414 262 H ASP 37 H ASP 37 2.661 2.663 16.218 263 HA ASP 37 HA ASP 37 4.501 4.178 17.883 264 1HB ASP 37 1HB ASP 37 4.255 3.619 14.960 265 2HB ASP 37 2HB ASP 37 4.705 5.266 15.353 266 H ALA 38 H ALA 38 3.416 5.890 18.881 267 HA ALA 38 HA ALA 38 0.940 6.854 18.058 268 1HB ALA 38 1HB ALA 38 1.463 8.708 19.662 269 2HB ALA 38 2HB ALA 38 1.764 7.088 20.335 270 3HB ALA 38 3HB ALA 38 3.128 8.088 19.778 271 H ALA 39 H ALA 39 4.271 7.682 17.119 272 HA ALA 39 HA ALA 39 3.795 10.185 16.017 273 1HB ALA 39 1HB ALA 39 5.727 8.648 14.493 274 2HB ALA 39 2HB ALA 39 6.001 9.989 15.631 275 3HB ALA 39 3HB ALA 39 5.910 8.316 16.232 276 H LEU 40 H LEU 40 3.454 6.862 14.642 277 HA LEU 40 HA LEU 40 2.714 7.838 12.076 278 1HB LEU 40 1HB LEU 40 2.405 5.108 13.335 279 2HB LEU 40 2HB LEU 40 2.155 5.481 11.641 280 HG LEU 40 HG LEU 40 4.802 6.035 12.974 281 1HD1 LEU 40 1HD1 LEU 40 4.913 3.595 11.489 282 2HD1 LEU 40 2HD1 LEU 40 5.286 3.886 13.206 283 3HD1 LEU 40 3HD1 LEU 40 3.628 3.463 12.714 284 1HD2 LEU 40 1HD2 LEU 40 5.695 6.010 10.778 285 2HD2 LEU 40 2HD2 LEU 40 4.198 5.332 10.096 286 3HD2 LEU 40 3HD2 LEU 40 4.218 7.001 10.715 287 H GLU 41 H GLU 41 1.042 7.040 15.111 288 HA GLU 41 HA GLU 41 -1.506 6.858 13.977 289 1HB GLU 41 1HB GLU 41 -0.479 7.375 16.786 290 2HB GLU 41 2HB GLU 41 -2.197 7.385 16.441 291 1HG GLU 41 1HG GLU 41 -0.846 5.049 15.251 292 2HG GLU 41 2HG GLU 41 -0.625 5.119 16.988 293 H SER 42 H SER 42 0.326 9.557 15.549 294 HA SER 42 HA SER 42 -1.806 11.369 15.233 295 1HB SER 42 1HB SER 42 0.664 11.304 16.595 296 2HB SER 42 2HB SER 42 0.849 12.605 15.436 297 HG SER 42 HG SER 42 -0.292 12.873 17.736 298 H ALA 43 H ALA 43 0.920 10.265 13.255 299 HA ALA 43 HA ALA 43 0.902 12.492 11.482 300 1HB ALA 43 1HB ALA 43 2.879 11.054 11.865 301 2HB ALA 43 2HB ALA 43 2.002 9.668 11.173 302 3HB ALA 43 3HB ALA 43 2.407 11.066 10.148 303 H TYR 44 H TYR 44 -0.550 9.186 11.530 304 HA TYR 44 HA TYR 44 -2.041 9.919 9.109 305 1HB TYR 44 1HB TYR 44 -1.333 7.311 10.586 306 2HB TYR 44 2HB TYR 44 -2.436 7.333 9.224 307 HD1 TYR 44 HD1 TYR 44 -1.270 8.961 7.206 308 HD2 TYR 44 HD2 TYR 44 0.719 6.414 10.008 309 HE1 TYR 44 HE1 TYR 44 0.699 8.736 5.614 310 HE2 TYR 44 HE2 TYR 44 2.682 6.197 8.407 311 HH TYR 44 HH TYR 44 3.595 7.860 6.444 312 H GLY 45 H GLY 45 -2.621 7.758 11.973 313 1HA GLY 45 1HA GLY 45 -4.378 7.591 13.366 314 2HA GLY 45 2HA GLY 45 -4.770 9.260 13.006 315 H LEU 46 H LEU 46 -5.847 9.661 10.773 316 HA LEU 46 HA LEU 46 -7.891 7.602 10.462 317 1HB LEU 46 1HB LEU 46 -7.865 10.460 10.503 318 2HB LEU 46 2HB LEU 46 -8.440 9.934 8.933 319 HG LEU 46 HG LEU 46 -10.273 10.311 10.516 320 1HD1 LEU 46 1HD1 LEU 46 -11.526 8.650 9.659 321 2HD1 LEU 46 2HD1 LEU 46 -10.046 8.276 8.742 322 3HD1 LEU 46 3HD1 LEU 46 -10.424 7.373 10.228 323 1HD2 LEU 46 1HD2 LEU 46 -9.818 9.852 12.662 324 2HD2 LEU 46 2HD2 LEU 46 -10.351 8.204 12.251 325 3HD2 LEU 46 3HD2 LEU 46 -8.617 8.605 12.249 326 H ARG 47 H ARG 47 -5.086 9.040 8.915 327 HA ARG 47 HA ARG 47 -5.873 7.994 6.360 328 1HB ARG 47 1HB ARG 47 -3.314 9.417 7.254 329 2HB ARG 47 2HB ARG 47 -3.688 8.997 5.594 330 1HG ARG 47 1HG ARG 47 -4.941 10.871 5.353 331 2HG ARG 47 2HG ARG 47 -5.960 10.406 6.701 332 1HD ARG 47 1HD ARG 47 -5.014 11.990 8.026 333 2HD ARG 47 2HD ARG 47 -3.418 11.320 7.754 334 HE ARG 47 HE ARG 47 -4.613 13.611 6.367 335 1HH1 ARG 47 2HH2 ARG 47 -2.143 11.110 6.212 336 2HH1 ARG 47 1HH2 ARG 47 -1.144 11.986 5.101 337 1HH2 ARG 47 2HH1 ARG 47 -3.296 14.768 4.901 338 2HH2 ARG 47 1HH1 ARG 47 -1.804 14.081 4.350 339 H VAL 48 H VAL 48 -5.590 6.023 8.441 340 HA VAL 48 HA VAL 48 -3.083 4.867 8.618 341 HB VAL 48 HB VAL 48 -5.909 3.989 8.962 342 1HG1 VAL 48 1HG1 VAL 48 -3.671 2.170 8.319 343 2HG1 VAL 48 2HG1 VAL 48 -4.574 1.754 9.796 344 3HG1 VAL 48 3HG1 VAL 48 -5.430 1.904 8.243 345 1HG2 VAL 48 1HG2 VAL 48 -3.446 4.256 10.688 346 2HG2 VAL 48 2HG2 VAL 48 -5.027 5.058 10.852 347 3HG2 VAL 48 3HG2 VAL 48 -4.864 3.327 11.231 348 HA PRO 49 HA PRO 49 -4.303 2.512 4.691 349 1HB PRO 49 1HB PRO 49 -6.360 3.444 3.152 350 2HB PRO 49 2HB PRO 49 -6.549 2.157 4.326 351 1HG PRO 49 1HG PRO 49 -7.412 4.978 4.514 352 2HG PRO 49 2HG PRO 49 -7.948 3.601 5.456 353 1HD PRO 49 1HD PRO 49 -6.132 5.656 6.299 354 2HD PRO 49 2HD PRO 49 -6.578 4.218 7.197 355 H VAL 50 H VAL 50 -2.256 3.905 4.740 356 HA VAL 50 HA VAL 50 -2.414 5.623 2.359 357 HB VAL 50 HB VAL 50 -0.909 5.870 4.945 358 1HG1 VAL 50 1HG1 VAL 50 0.950 6.400 3.790 359 2HG1 VAL 50 2HG1 VAL 50 0.065 6.579 2.256 360 3HG1 VAL 50 3HG1 VAL 50 0.099 7.921 3.425 361 1HG2 VAL 50 1HG2 VAL 50 -1.947 7.932 5.151 362 2HG2 VAL 50 2HG2 VAL 50 -2.194 8.105 3.397 363 3HG2 VAL 50 3HG2 VAL 50 -3.205 6.976 4.330 364 H LEU 51 H LEU 51 -1.278 4.933 0.618 365 HA LEU 51 HA LEU 51 0.479 2.651 1.022 366 1HB LEU 51 1HB LEU 51 -1.398 3.423 -0.939 367 2HB LEU 51 2HB LEU 51 0.172 3.475 -1.716 368 HG LEU 51 HG LEU 51 -0.772 1.071 -0.146 369 1HD1 LEU 51 1HD1 LEU 51 -2.409 0.987 -1.721 370 2HD1 LEU 51 2HD1 LEU 51 -1.479 1.935 -2.907 371 3HD1 LEU 51 3HD1 LEU 51 -1.100 0.215 -2.648 372 1HD2 LEU 51 1HD2 LEU 51 1.382 0.537 -0.439 373 2HD2 LEU 51 2HD2 LEU 51 0.907 0.188 -2.118 374 3HD2 LEU 51 3HD2 LEU 51 1.621 1.765 -1.704 375 H ARG 52 H ARG 52 2.628 2.917 1.250 376 HA ARG 52 HA ARG 52 3.700 5.433 0.268 377 1HB ARG 52 1HB ARG 52 3.919 4.853 2.750 378 2HB ARG 52 2HB ARG 52 4.947 3.509 2.294 379 1HG ARG 52 1HG ARG 52 6.748 4.864 1.965 380 2HG ARG 52 2HG ARG 52 5.822 5.993 0.995 381 1HD ARG 52 1HD ARG 52 5.292 7.348 2.811 382 2HD ARG 52 2HD ARG 52 5.247 6.010 3.941 383 HE ARG 52 HE ARG 52 7.908 6.087 3.306 384 1HH1 ARG 52 2HH2 ARG 52 5.654 8.615 4.261 385 2HH1 ARG 52 1HH2 ARG 52 6.870 9.591 5.015 386 1HH2 ARG 52 2HH1 ARG 52 9.512 7.374 4.301 387 2HH2 ARG 52 1HH1 ARG 52 9.079 8.881 5.038 388 H ASP 53 H ASP 53 5.807 5.394 -0.858 389 HA ASP 53 HA ASP 53 6.348 2.760 -1.987 390 1HB ASP 53 1HB ASP 53 7.386 4.347 -3.881 391 2HB ASP 53 2HB ASP 53 5.688 3.913 -3.884 392 HA PRO 54 HA PRO 54 10.499 3.454 -0.752 393 1HB PRO 54 1HB PRO 54 11.980 2.231 -2.695 394 2HB PRO 54 2HB PRO 54 11.175 1.354 -1.410 395 1HG PRO 54 1HG PRO 54 10.411 1.586 -4.256 396 2HG PRO 54 2HG PRO 54 9.888 0.405 -3.073 397 1HD PRO 54 1HD PRO 54 8.390 2.656 -4.028 398 2HD PRO 54 2HD PRO 54 7.915 1.542 -2.761 399 H MET 55 H MET 55 9.470 4.734 -3.724 400 HA MET 55 HA MET 55 11.842 6.072 -4.350 401 1HB MET 55 1HB MET 55 8.892 6.473 -5.050 402 2HB MET 55 2HB MET 55 10.122 7.542 -5.694 403 1HG MET 55 1HG MET 55 11.048 5.895 -7.064 404 2HG MET 55 2HG MET 55 10.634 4.592 -5.968 405 1HE MET 55 1HE MET 55 8.613 2.815 -7.112 406 2HE MET 55 2HE MET 55 8.707 3.290 -8.824 407 3HE MET 55 3HE MET 55 10.176 3.290 -7.819 408 H GLY 56 H GLY 56 8.956 6.914 -2.378 409 1HA GLY 56 1HA GLY 56 9.488 8.341 -0.449 410 2HA GLY 56 2HA GLY 56 10.353 9.390 -1.555 411 H ARG 57 H ARG 57 7.177 7.690 -1.977 412 HA ARG 57 HA ARG 57 5.921 10.298 -1.949 413 1HB ARG 57 1HB ARG 57 5.423 8.204 -4.125 414 2HB ARG 57 2HB ARG 57 4.646 9.771 -4.013 415 1HG ARG 57 1HG ARG 57 7.460 10.271 -3.902 416 2HG ARG 57 2HG ARG 57 7.225 9.095 -5.179 417 1HD ARG 57 1HD ARG 57 6.030 10.566 -6.513 418 2HD ARG 57 2HD ARG 57 5.260 11.352 -5.149 419 HE ARG 57 HE ARG 57 8.157 11.850 -5.375 420 1HH1 ARG 57 2HH2 ARG 57 4.921 12.969 -6.188 421 2HH1 ARG 57 1HH2 ARG 57 5.418 14.604 -6.466 422 1HH2 ARG 57 2HH1 ARG 57 8.813 14.008 -5.741 423 2HH2 ARG 57 1HH1 ARG 57 7.646 15.200 -6.211 424 H GLU 58 H GLU 58 3.360 9.930 -2.079 425 HA GLU 58 HA GLU 58 2.662 7.400 -0.863 426 1HB GLU 58 1HB GLU 58 2.186 10.129 0.396 427 2HB GLU 58 2HB GLU 58 1.242 8.722 0.843 428 1HG GLU 58 1HG GLU 58 3.728 7.639 1.064 429 2HG GLU 58 2HG GLU 58 4.138 9.315 1.373 430 H LEU 59 H LEU 59 0.481 6.759 -1.263 431 HA LEU 59 HA LEU 59 -0.862 8.472 -3.227 432 1HB LEU 59 1HB LEU 59 -0.063 5.856 -3.420 433 2HB LEU 59 2HB LEU 59 -1.741 5.685 -2.946 434 HG LEU 59 HG LEU 59 -0.640 7.064 -5.400 435 1HD1 LEU 59 1HD1 LEU 59 -2.785 4.984 -5.437 436 2HD1 LEU 59 2HD1 LEU 59 -1.517 5.349 -6.631 437 3HD1 LEU 59 3HD1 LEU 59 -1.106 4.477 -5.135 438 1HD2 LEU 59 1HD2 LEU 59 -3.367 7.287 -4.148 439 2HD2 LEU 59 2HD2 LEU 59 -2.321 8.559 -4.822 440 3HD2 LEU 59 3HD2 LEU 59 -3.151 7.421 -5.910 441 H ASP 60 H ASP 60 -3.110 8.907 -3.022 442 HA ASP 60 HA ASP 60 -3.926 9.311 -0.416 443 1HB ASP 60 1HB ASP 60 -4.730 10.204 -2.862 444 2HB ASP 60 2HB ASP 60 -6.001 9.033 -2.571 445 H TRP 61 H TRP 61 -5.673 8.235 0.809 446 HA TRP 61 HA TRP 61 -5.612 5.472 0.746 447 1HB TRP 61 1HB TRP 61 -6.377 6.025 2.755 448 2HB TRP 61 2HB TRP 61 -7.001 7.567 2.203 449 HD1 TRP 61 HD1 TRP 61 -9.508 7.612 2.939 450 HE1 TRP 61 HE1 TRP 61 -11.632 6.050 2.820 451 HE3 TRP 61 HE3 TRP 61 -7.097 3.603 0.946 452 HZ2 TRP 61 HZ2 TRP 61 -12.055 3.373 1.925 453 HZ3 TRP 61 HZ3 TRP 61 -8.439 1.555 0.480 454 HH2 TRP 61 HH2 TRP 61 -10.835 1.400 0.937 455 HA PRO 62 HA PRO 62 -9.645 5.776 -1.726 456 1HB PRO 62 1HB PRO 62 -10.541 8.197 -2.624 457 2HB PRO 62 2HB PRO 62 -11.103 7.458 -1.138 458 1HG PRO 62 1HG PRO 62 -9.232 9.719 -1.492 459 2HG PRO 62 2HG PRO 62 -10.124 9.247 -0.060 460 1HD PRO 62 1HD PRO 62 -7.337 8.800 -0.570 461 2HD PRO 62 2HD PRO 62 -8.255 8.228 0.808 462 H PHE 63 H PHE 63 -9.030 4.648 -3.457 463 HA PHE 63 HA PHE 63 -8.226 6.239 -5.724 464 1HB PHE 63 1HB PHE 63 -6.261 4.386 -5.886 465 2HB PHE 63 2HB PHE 63 -6.010 5.865 -4.980 466 HD1 PHE 63 HD1 PHE 63 -8.095 2.999 -3.901 467 HD2 PHE 63 HD2 PHE 63 -4.449 5.107 -3.387 468 HE1 PHE 63 HE1 PHE 63 -7.608 1.654 -1.839 469 HE2 PHE 63 HE2 PHE 63 -3.962 3.762 -1.324 470 HZ PHE 63 HZ PHE 63 -5.547 2.051 -0.575 471 H ASP 64 H ASP 64 -7.394 4.258 -7.459 472 HA ASP 64 HA ASP 64 -9.529 2.287 -7.276 473 1HB ASP 64 1HB ASP 64 -8.606 3.591 -9.872 474 2HB ASP 64 2HB ASP 64 -9.987 2.533 -9.655 475 H ALA 65 H ALA 65 -8.939 0.772 -9.555 476 HA ALA 65 HA ALA 65 -6.460 -0.441 -8.801 477 1HB ALA 65 1HB ALA 65 -7.580 -1.454 -11.266 478 2HB ALA 65 2HB ALA 65 -7.502 -2.232 -9.667 479 3HB ALA 65 3HB ALA 65 -8.883 -1.189 -10.083 480 HA PRO 66 HA PRO 66 -5.292 1.282 -13.054 481 1HB PRO 66 1HB PRO 66 -6.926 3.086 -14.295 482 2HB PRO 66 2HB PRO 66 -6.953 1.370 -14.646 483 1HG PRO 66 1HG PRO 66 -8.886 2.973 -13.086 484 2HG PRO 66 2HG PRO 66 -9.098 1.386 -13.799 485 1HD PRO 66 1HD PRO 66 -8.643 1.976 -11.029 486 2HD PRO 66 2HD PRO 66 -8.740 0.386 -11.760 487 H ARG 67 H ARG 67 -6.799 3.314 -10.734 488 HA ARG 67 HA ARG 67 -5.199 5.544 -11.440 489 1HB ARG 67 1HB ARG 67 -7.548 5.259 -10.060 490 2HB ARG 67 2HB ARG 67 -6.438 5.373 -8.709 491 1HG ARG 67 1HG ARG 67 -6.019 7.593 -9.077 492 2HG ARG 67 2HG ARG 67 -5.883 7.380 -10.811 493 1HD ARG 67 1HD ARG 67 -8.652 6.964 -9.949 494 2HD ARG 67 2HD ARG 67 -8.067 8.520 -9.394 495 HE ARG 67 HE ARG 67 -7.252 8.225 -12.106 496 1HH1 ARG 67 2HH2 ARG 67 -10.222 8.568 -10.249 497 2HH1 ARG 67 1HH2 ARG 67 -11.091 9.331 -11.539 498 1HH2 ARG 67 2HH1 ARG 67 -8.399 9.231 -13.808 499 2HH2 ARG 67 1HH1 ARG 67 -10.047 9.710 -13.577 500 H LEU 68 H LEU 68 -5.058 2.791 -9.182 501 HA LEU 68 HA LEU 68 -2.908 3.913 -7.649 502 1HB LEU 68 1HB LEU 68 -4.681 2.383 -6.767 503 2HB LEU 68 2HB LEU 68 -3.966 1.086 -7.703 504 HG LEU 68 HG LEU 68 -1.830 2.165 -6.233 505 1HD1 LEU 68 1HD1 LEU 68 -2.748 3.216 -4.489 506 2HD1 LEU 68 2HD1 LEU 68 -4.366 2.551 -4.816 507 3HD1 LEU 68 3HD1 LEU 68 -3.177 1.591 -3.904 508 1HD2 LEU 68 1HD2 LEU 68 -3.492 -0.335 -6.075 509 2HD2 LEU 68 2HD2 LEU 68 -1.818 -0.116 -6.638 510 3HD2 LEU 68 3HD2 LEU 68 -2.190 -0.035 -4.899 511 H ARG 69 H ARG 69 -3.347 1.590 -10.353 512 HA ARG 69 HA ARG 69 -0.678 0.762 -10.333 513 1HB ARG 69 1HB ARG 69 -2.423 -0.591 -11.409 514 2HB ARG 69 2HB ARG 69 -2.825 0.713 -12.510 515 1HG ARG 69 1HG ARG 69 -1.449 -0.750 -13.796 516 2HG ARG 69 2HG ARG 69 -0.390 0.576 -13.359 517 1HD ARG 69 1HD ARG 69 0.895 -0.728 -11.940 518 2HD ARG 69 2HD ARG 69 -0.472 -1.682 -11.397 519 HE ARG 69 HE ARG 69 0.048 -2.251 -14.171 520 1HH1 ARG 69 2HH2 ARG 69 1.364 -2.837 -10.960 521 2HH1 ARG 69 1HH2 ARG 69 2.136 -4.322 -11.408 522 1HH2 ARG 69 2HH1 ARG 69 1.066 -4.209 -14.763 523 2HH2 ARG 69 1HH1 ARG 69 1.966 -5.107 -13.586 524 H ALA 70 H ALA 70 -2.551 3.164 -12.309 525 HA ALA 70 HA ALA 70 -0.520 3.934 -14.010 526 1HB ALA 70 1HB ALA 70 -2.943 5.342 -12.856 527 2HB ALA 70 2HB ALA 70 -1.874 6.131 -14.040 528 3HB ALA 70 3HB ALA 70 -2.735 4.636 -14.476 529 H TRP 71 H TRP 71 -1.129 4.708 -10.591 530 HA TRP 71 HA TRP 71 0.636 6.927 -10.503 531 1HB TRP 71 1HB TRP 71 -1.095 6.773 -8.886 532 2HB TRP 71 2HB TRP 71 -0.607 5.162 -8.399 533 HD1 TRP 71 HD1 TRP 71 0.754 8.808 -8.177 534 HE1 TRP 71 HE1 TRP 71 2.292 9.099 -6.053 535 HE3 TRP 71 HE3 TRP 71 0.643 3.921 -6.778 536 HZ2 TRP 71 HZ2 TRP 71 3.267 7.293 -4.070 537 HZ3 TRP 71 HZ3 TRP 71 1.915 3.268 -4.735 538 HH2 TRP 71 HH2 TRP 71 3.195 4.864 -3.398 539 H LEU 72 H LEU 72 0.864 3.373 -9.995 540 HA LEU 72 HA LEU 72 3.475 3.405 -8.953 541 1HB LEU 72 1HB LEU 72 1.877 1.255 -10.344 542 2HB LEU 72 2HB LEU 72 3.433 0.988 -9.586 543 HG LEU 72 HG LEU 72 1.064 2.087 -8.063 544 1HD1 LEU 72 1HD1 LEU 72 1.859 -0.819 -8.032 545 2HD1 LEU 72 2HD1 LEU 72 0.366 -0.051 -7.440 546 3HD1 LEU 72 3HD1 LEU 72 0.662 -0.190 -9.190 547 1HD2 LEU 72 1HD2 LEU 72 3.682 2.034 -7.356 548 2HD2 LEU 72 2HD2 LEU 72 2.326 1.958 -6.206 549 3HD2 LEU 72 3HD2 LEU 72 3.137 0.461 -6.726 550 H ASP 73 H ASP 73 2.169 2.869 -12.293 551 HA ASP 73 HA ASP 73 4.661 2.511 -13.441 552 1HB ASP 73 1HB ASP 73 1.981 2.512 -14.272 553 2HB ASP 73 2HB ASP 73 2.667 3.856 -15.163 554 H ALA 74 H ALA 74 2.643 5.385 -12.692 555 HA ALA 74 HA ALA 74 3.665 7.338 -14.222 556 1HB ALA 74 1HB ALA 74 3.563 8.270 -11.485 557 2HB ALA 74 2HB ALA 74 2.406 8.548 -12.809 558 3HB ALA 74 3HB ALA 74 2.244 7.110 -11.774 559 H ALA 75 H ALA 75 5.294 5.607 -11.562 560 HA ALA 75 HA ALA 75 7.316 5.891 -10.634 561 1HB ALA 75 1HB ALA 75 7.430 5.172 -13.374 562 2HB ALA 75 2HB ALA 75 8.772 6.309 -13.102 563 3HB ALA 75 3HB ALA 75 8.640 4.837 -12.112 564 HA PRO 76 HA PRO 76 7.533 10.362 -10.749 565 1HB PRO 76 1HB PRO 76 7.563 10.751 -8.044 566 2HB PRO 76 2HB PRO 76 6.091 10.749 -8.996 567 1HG PRO 76 1HG PRO 76 7.129 8.656 -7.185 568 2HG PRO 76 2HG PRO 76 5.502 8.867 -7.800 569 1HD PRO 76 1HD PRO 76 7.442 6.956 -8.700 570 2HD PRO 76 2HD PRO 76 5.858 7.245 -9.390 571 H HIS 77 H HIS 77 9.115 11.983 -9.758 572 HA HIS 77 HA HIS 77 11.666 10.836 -10.203 573 1HB HIS 77 1HB HIS 77 10.498 13.501 -9.843 574 2HB HIS 77 2HB HIS 77 12.083 13.350 -9.109 575 HD1 HIS 77 HD1 HIS 77 14.105 13.354 -10.653 576 HD2 HIS 77 HD2 HIS 77 10.471 12.965 -12.712 577 HE1 HIS 77 HE1 HIS 77 14.660 13.584 -13.133 578 H ALA 78 H ALA 78 10.327 12.603 -7.314 579 HA ALA 78 HA ALA 78 10.857 12.470 -5.164 580 1HB ALA 78 1HB ALA 78 10.898 10.127 -4.238 581 2HB ALA 78 2HB ALA 78 9.518 10.458 -5.312 582 3HB ALA 78 3HB ALA 78 10.907 9.521 -5.912 Start of MODEL 7 1 1H MET 1 1H MET 1 9.052 -2.656 -7.522 2 HA MET 1 HA MET 1 8.066 -4.588 -7.126 3 1HB MET 1 1HB MET 1 10.758 -4.682 -5.709 4 2HB MET 1 2HB MET 1 9.733 -6.103 -5.668 5 1HG MET 1 1HG MET 1 9.606 -6.023 -8.203 6 2HG MET 1 2HG MET 1 10.742 -4.689 -8.183 7 1HE MET 1 1HE MET 1 13.714 -5.606 -8.355 8 2HE MET 1 2HE MET 1 13.182 -6.895 -9.460 9 3HE MET 1 3HE MET 1 12.299 -5.351 -9.404 10 H ALA 2 H ALA 2 9.580 -3.712 -3.928 11 HA ALA 2 HA ALA 2 7.186 -4.763 -2.625 12 1HB ALA 2 1HB ALA 2 10.039 -4.220 -1.812 13 2HB ALA 2 2HB ALA 2 8.767 -4.300 -0.570 14 3HB ALA 2 3HB ALA 2 9.072 -5.702 -1.623 15 H LEU 3 H LEU 3 5.781 -3.468 -1.453 16 HA LEU 3 HA LEU 3 6.444 -0.605 -1.443 17 1HB LEU 3 1HB LEU 3 3.790 -1.945 -1.974 18 2HB LEU 3 2HB LEU 3 3.981 -0.230 -1.666 19 HG LEU 3 HG LEU 3 5.679 -1.313 -3.839 20 1HD1 LEU 3 1HD1 LEU 3 2.705 -1.018 -4.314 21 2HD1 LEU 3 2HD1 LEU 3 3.955 -1.550 -5.464 22 3HD1 LEU 3 3HD1 LEU 3 3.523 -2.582 -4.080 23 1HD2 LEU 3 1HD2 LEU 3 3.913 1.131 -3.537 24 2HD2 LEU 3 2HD2 LEU 3 5.682 1.050 -3.357 25 3HD2 LEU 3 3HD2 LEU 3 4.936 0.776 -4.949 26 H THR 4 H THR 4 4.598 0.444 0.198 27 HA THR 4 HA THR 4 4.492 -1.240 2.586 28 HB THR 4 HB THR 4 5.768 1.541 2.410 29 HG1 THR 4 HG1 THR 4 6.717 -1.119 3.206 30 1HG2 THR 4 1HG2 THR 4 5.848 -0.294 4.820 31 2HG2 THR 4 2HG2 THR 4 6.065 1.471 4.750 32 3HG2 THR 4 3HG2 THR 4 4.437 0.768 4.599 33 H LEU 5 H LEU 5 2.353 -1.415 2.897 34 HA LEU 5 HA LEU 5 0.799 1.060 2.618 35 1HB LEU 5 1HB LEU 5 -0.086 -0.403 1.078 36 2HB LEU 5 2HB LEU 5 0.200 -1.815 2.075 37 HG LEU 5 HG LEU 5 -1.613 -0.696 3.643 38 1HD1 LEU 5 1HD1 LEU 5 -1.692 1.372 2.205 39 2HD1 LEU 5 2HD1 LEU 5 -2.487 0.384 0.956 40 3HD1 LEU 5 3HD1 LEU 5 -3.265 0.609 2.542 41 1HD2 LEU 5 1HD2 LEU 5 -1.949 -2.866 2.767 42 2HD2 LEU 5 2HD2 LEU 5 -3.388 -1.921 2.313 43 3HD2 LEU 5 3HD2 LEU 5 -2.124 -2.255 1.105 44 H TYR 6 H TYR 6 0.792 2.023 4.603 45 HA TYR 6 HA TYR 6 0.949 0.577 7.011 46 1HB TYR 6 1HB TYR 6 -0.142 3.367 6.278 47 2HB TYR 6 2HB TYR 6 0.316 2.890 7.901 48 HD1 TYR 6 HD1 TYR 6 1.406 4.515 4.975 49 HD2 TYR 6 HD2 TYR 6 2.821 2.004 8.137 50 HE1 TYR 6 HE1 TYR 6 3.786 5.296 4.540 51 HE2 TYR 6 HE2 TYR 6 5.196 2.793 7.692 52 HH TYR 6 HH TYR 6 6.501 3.813 6.200 53 H GLN 7 H GLN 7 -0.620 0.016 8.554 54 HA GLN 7 HA GLN 7 -3.277 0.796 8.336 55 1HB GLN 7 1HB GLN 7 -4.345 -1.290 7.607 56 2HB GLN 7 2HB GLN 7 -3.280 -0.695 6.349 57 1HG GLN 7 1HG GLN 7 -1.879 -2.500 6.505 58 2HG GLN 7 2HG GLN 7 -1.904 -2.492 8.257 59 1HE2 GLN 7 1HE2 GLN 7 -2.675 -4.232 5.617 60 2HE2 GLN 7 2HE2 GLN 7 -3.952 -5.237 6.216 61 H ARG 8 H ARG 8 -4.590 -0.106 10.103 62 HA ARG 8 HA ARG 8 -3.029 -1.738 11.924 63 1HB ARG 8 1HB ARG 8 -3.936 -0.323 13.834 64 2HB ARG 8 2HB ARG 8 -2.798 0.519 12.801 65 1HG ARG 8 1HG ARG 8 -4.357 2.104 12.368 66 2HG ARG 8 2HG ARG 8 -5.389 0.894 11.632 67 1HD ARG 8 1HD ARG 8 -6.720 0.679 13.512 68 2HD ARG 8 2HD ARG 8 -5.378 0.880 14.620 69 HE ARG 8 HE ARG 8 -5.873 3.156 14.727 70 1HH1 ARG 8 2HH2 ARG 8 -7.196 1.861 11.734 71 2HH1 ARG 8 1HH2 ARG 8 -7.970 3.344 11.285 72 1HH2 ARG 8 2HH1 ARG 8 -6.895 5.112 14.136 73 2HH2 ARG 8 1HH1 ARG 8 -7.798 5.206 12.661 74 H ASP 9 H ASP 9 -4.249 -3.628 11.864 75 HA ASP 9 HA ASP 9 -5.908 -4.987 12.190 76 1HB ASP 9 1HB ASP 9 -6.320 -3.220 14.158 77 2HB ASP 9 2HB ASP 9 -7.741 -2.811 13.218 78 H ASP 10 H ASP 10 -6.341 -5.252 9.900 79 HA ASP 10 HA ASP 10 -7.883 -3.381 8.494 80 1HB ASP 10 1HB ASP 10 -6.469 -4.709 7.149 81 2HB ASP 10 2HB ASP 10 -6.870 -6.185 8.006 82 H CYS 11 H CYS 11 -10.114 -3.140 8.691 83 HA CYS 11 HA CYS 11 -11.604 -5.462 9.665 84 1HB CYS 11 1HB CYS 11 -13.325 -3.815 10.385 85 2HB CYS 11 2HB CYS 11 -11.784 -3.611 11.194 86 HG CYS 11 HG CYS 11 -11.089 -1.480 10.289 87 H HIS 12 H HIS 12 -11.548 -2.696 7.328 88 HA HIS 12 HA HIS 12 -12.663 -4.296 5.296 89 1HB HIS 12 1HB HIS 12 -14.655 -3.667 6.854 90 2HB HIS 12 2HB HIS 12 -14.507 -2.071 6.146 91 HD1 HIS 12 HD1 HIS 12 -15.851 -1.704 4.072 92 HD2 HIS 12 HD2 HIS 12 -14.971 -5.760 4.684 93 HE1 HIS 12 HE1 HIS 12 -17.061 -2.985 2.226 94 H LEU 13 H LEU 13 -12.635 -0.827 6.404 95 HA LEU 13 HA LEU 13 -12.236 0.366 4.009 96 1HB LEU 13 1HB LEU 13 -12.623 1.515 6.124 97 2HB LEU 13 2HB LEU 13 -11.014 1.091 6.676 98 HG LEU 13 HG LEU 13 -10.583 2.400 4.238 99 1HD1 LEU 13 1HD1 LEU 13 -11.923 4.235 4.044 100 2HD1 LEU 13 2HD1 LEU 13 -13.104 3.079 4.704 101 3HD1 LEU 13 3HD1 LEU 13 -12.329 4.269 5.777 102 1HD2 LEU 13 1HD2 LEU 13 -9.171 2.514 6.234 103 2HD2 LEU 13 2HD2 LEU 13 -9.572 4.137 5.624 104 3HD2 LEU 13 3HD2 LEU 13 -10.406 3.494 7.059 105 H CYS 14 H CYS 14 -9.778 -1.247 6.095 106 HA CYS 14 HA CYS 14 -7.630 -0.529 4.403 107 1HB CYS 14 1HB CYS 14 -7.861 -2.648 6.564 108 2HB CYS 14 2HB CYS 14 -6.369 -2.241 5.739 109 HG CYS 14 HG CYS 14 -7.765 0.454 6.453 110 H ASP 15 H ASP 15 -9.871 -3.323 4.766 111 HA ASP 15 HA ASP 15 -8.595 -5.130 3.194 112 1HB ASP 15 1HB ASP 15 -10.867 -5.218 4.535 113 2HB ASP 15 2HB ASP 15 -11.599 -4.711 3.026 114 H GLN 16 H GLN 16 -10.659 -2.307 2.346 115 HA GLN 16 HA GLN 16 -10.961 -2.952 -0.350 116 1HB GLN 16 1HB GLN 16 -11.470 -0.622 1.416 117 2HB GLN 16 2HB GLN 16 -11.157 -0.189 -0.253 118 1HG GLN 16 1HG GLN 16 -12.874 -2.370 -0.525 119 2HG GLN 16 2HG GLN 16 -13.487 -1.596 0.923 120 1HE2 GLN 16 1HE2 GLN 16 -13.958 0.695 0.848 121 2HE2 GLN 16 2HE2 GLN 16 -14.523 1.422 -0.619 122 H ALA 17 H ALA 17 -8.491 -1.114 1.499 123 HA ALA 17 HA ALA 17 -7.173 0.034 -0.665 124 1HB ALA 17 1HB ALA 17 -5.365 -0.741 1.468 125 2HB ALA 17 2HB ALA 17 -5.963 0.877 1.031 126 3HB ALA 17 3HB ALA 17 -6.901 -0.147 2.145 127 H VAL 18 H VAL 18 -6.650 -3.127 1.036 128 HA VAL 18 HA VAL 18 -4.499 -3.922 -0.555 129 HB VAL 18 HB VAL 18 -6.558 -5.604 0.887 130 1HG1 VAL 18 1HG1 VAL 18 -3.732 -6.207 -0.042 131 2HG1 VAL 18 2HG1 VAL 18 -4.665 -7.235 1.073 132 3HG1 VAL 18 3HG1 VAL 18 -5.240 -6.976 -0.592 133 1HG2 VAL 18 1HG2 VAL 18 -3.977 -5.148 2.210 134 2HG2 VAL 18 2HG2 VAL 18 -4.940 -3.665 2.005 135 3HG2 VAL 18 3HG2 VAL 18 -5.632 -5.064 2.860 136 H GLU 19 H GLU 19 -8.042 -4.085 -0.987 137 HA GLU 19 HA GLU 19 -8.055 -5.932 -3.037 138 1HB GLU 19 1HB GLU 19 -9.942 -4.413 -1.654 139 2HB GLU 19 2HB GLU 19 -10.077 -3.791 -3.286 140 1HG GLU 19 1HG GLU 19 -9.873 -6.745 -3.189 141 2HG GLU 19 2HG GLU 19 -11.272 -6.128 -2.333 142 H ALA 20 H ALA 20 -7.891 -2.309 -3.120 143 HA ALA 20 HA ALA 20 -7.867 -2.061 -5.889 144 1HB ALA 20 1HB ALA 20 -7.425 0.174 -5.460 145 2HB ALA 20 2HB ALA 20 -8.063 -0.338 -3.879 146 3HB ALA 20 3HB ALA 20 -6.306 -0.191 -4.125 147 H LEU 21 H LEU 21 -5.266 -2.716 -3.500 148 HA LEU 21 HA LEU 21 -3.135 -2.358 -5.290 149 1HB LEU 21 1HB LEU 21 -3.575 -3.414 -2.586 150 2HB LEU 21 2HB LEU 21 -2.241 -4.168 -3.436 151 HG LEU 21 HG LEU 21 -2.370 -1.186 -3.472 152 1HD1 LEU 21 1HD1 LEU 21 -1.947 -2.832 -1.001 153 2HD1 LEU 21 2HD1 LEU 21 -1.021 -1.330 -1.234 154 3HD1 LEU 21 3HD1 LEU 21 -2.800 -1.284 -1.212 155 1HD2 LEU 21 1HD2 LEU 21 0.055 -1.392 -3.372 156 2HD2 LEU 21 2HD2 LEU 21 -0.085 -3.153 -3.153 157 3HD2 LEU 21 3HD2 LEU 21 -0.611 -2.401 -4.678 158 H ALA 22 H ALA 22 -4.723 -5.403 -4.088 159 HA ALA 22 HA ALA 22 -3.359 -7.123 -5.760 160 1HB ALA 22 1HB ALA 22 -5.485 -7.202 -3.876 161 2HB ALA 22 2HB ALA 22 -6.085 -7.994 -5.353 162 3HB ALA 22 3HB ALA 22 -4.594 -8.576 -4.575 163 H GLN 23 H GLN 23 -6.388 -5.235 -6.299 164 HA GLN 23 HA GLN 23 -7.071 -6.369 -8.698 165 1HB GLN 23 1HB GLN 23 -7.570 -3.708 -7.381 166 2HB GLN 23 2HB GLN 23 -8.016 -3.881 -9.067 167 1HG GLN 23 1HG GLN 23 -8.961 -6.252 -7.847 168 2HG GLN 23 2HG GLN 23 -9.316 -4.993 -6.681 169 1HE2 GLN 23 1HE2 GLN 23 -11.475 -5.980 -7.502 170 2HE2 GLN 23 2HE2 GLN 23 -12.289 -5.087 -8.744 171 H ALA 24 H ALA 24 -4.991 -3.472 -8.027 172 HA ALA 24 HA ALA 24 -4.423 -2.994 -10.750 173 1HB ALA 24 1HB ALA 24 -3.931 -1.101 -9.604 174 2HB ALA 24 2HB ALA 24 -3.627 -1.984 -8.089 175 3HB ALA 24 3HB ALA 24 -2.350 -1.869 -9.323 176 H ARG 25 H ARG 25 -3.475 -5.475 -8.570 177 HA ARG 25 HA ARG 25 -2.082 -7.119 -8.729 178 1HB ARG 25 1HB ARG 25 -2.145 -6.154 -11.561 179 2HB ARG 25 2HB ARG 25 -0.764 -7.153 -11.155 180 1HG ARG 25 1HG ARG 25 -3.107 -8.375 -9.991 181 2HG ARG 25 2HG ARG 25 -3.482 -7.980 -11.656 182 1HD ARG 25 1HD ARG 25 -0.923 -9.029 -11.907 183 2HD ARG 25 2HD ARG 25 -1.558 -9.977 -10.577 184 HE ARG 25 HE ARG 25 -3.634 -10.098 -12.349 185 1HH1 ARG 25 2HH2 ARG 25 -0.178 -10.611 -12.770 186 2HH1 ARG 25 1HH2 ARG 25 -0.375 -11.744 -14.065 187 1HH2 ARG 25 2HH1 ARG 25 -3.894 -11.593 -14.058 188 2HH2 ARG 25 1HH1 ARG 25 -2.502 -12.306 -14.803 189 H ALA 26 H ALA 26 -1.182 -4.656 -7.574 190 HA ALA 26 HA ALA 26 1.184 -3.627 -8.463 191 1HB ALA 26 1HB ALA 26 0.403 -2.491 -6.636 192 2HB ALA 26 2HB ALA 26 -0.187 -3.967 -5.835 193 3HB ALA 26 3HB ALA 26 1.544 -3.556 -5.779 194 H GLY 27 H GLY 27 0.824 -6.339 -6.059 195 1HA GLY 27 1HA GLY 27 2.228 -8.325 -6.838 196 2HA GLY 27 2HA GLY 27 3.558 -7.186 -6.774 197 H ALA 28 H ALA 28 4.764 -7.881 -5.027 198 HA ALA 28 HA ALA 28 3.320 -8.450 -2.549 199 1HB ALA 28 1HB ALA 28 5.035 -10.046 -3.619 200 2HB ALA 28 2HB ALA 28 6.270 -8.867 -3.117 201 3HB ALA 28 3HB ALA 28 5.253 -9.665 -1.894 202 H PHE 29 H PHE 29 4.085 -7.484 -0.520 203 HA PHE 29 HA PHE 29 5.917 -5.309 -0.644 204 1HB PHE 29 1HB PHE 29 4.089 -3.645 0.070 205 2HB PHE 29 2HB PHE 29 3.948 -4.177 -1.594 206 HD1 PHE 29 HD1 PHE 29 2.582 -4.658 1.808 207 HD2 PHE 29 HD2 PHE 29 2.028 -5.346 -2.343 208 HE1 PHE 29 HE1 PHE 29 0.226 -5.403 2.246 209 HE2 PHE 29 HE2 PHE 29 -0.329 -6.090 -1.905 210 HZ PHE 29 HZ PHE 29 -1.202 -6.110 0.384 211 H PHE 30 H PHE 30 5.551 -3.964 1.617 212 HA PHE 30 HA PHE 30 5.265 -6.074 3.637 213 1HB PHE 30 1HB PHE 30 6.872 -3.450 3.525 214 2HB PHE 30 2HB PHE 30 6.854 -4.515 4.916 215 HD1 PHE 30 HD1 PHE 30 8.888 -3.550 2.429 216 HD2 PHE 30 HD2 PHE 30 7.234 -7.150 3.950 217 HE1 PHE 30 HE1 PHE 30 10.813 -4.842 1.465 218 HE2 PHE 30 HE2 PHE 30 9.158 -8.442 2.987 219 HZ PHE 30 HZ PHE 30 10.924 -7.273 1.756 220 H SER 31 H SER 31 4.074 -5.655 5.535 221 HA SER 31 HA SER 31 2.377 -3.311 5.291 222 1HB SER 31 1HB SER 31 1.706 -5.948 5.682 223 2HB SER 31 2HB SER 31 1.751 -5.385 7.341 224 HG SER 31 HG SER 31 0.389 -3.752 5.443 225 H VAL 32 H VAL 32 2.138 -1.828 7.047 226 HA VAL 32 HA VAL 32 3.929 -2.300 9.321 227 HB VAL 32 HB VAL 32 3.650 0.211 7.661 228 1HG1 VAL 32 1HG1 VAL 32 3.726 0.848 9.998 229 2HG1 VAL 32 2HG1 VAL 32 5.114 -0.229 10.285 230 3HG1 VAL 32 3HG1 VAL 32 5.299 1.202 9.243 231 1HG2 VAL 32 1HG2 VAL 32 6.259 -1.126 8.291 232 2HG2 VAL 32 2HG2 VAL 32 5.212 -1.831 7.035 233 3HG2 VAL 32 3HG2 VAL 32 5.784 -0.153 6.878 234 H PHE 33 H PHE 33 3.037 -1.840 11.307 235 HA PHE 33 HA PHE 33 0.266 -0.925 11.221 236 1HB PHE 33 1HB PHE 33 1.915 -2.114 13.523 237 2HB PHE 33 2HB PHE 33 0.167 -2.048 13.423 238 HD1 PHE 33 HD1 PHE 33 -0.645 -3.178 11.007 239 HD2 PHE 33 HD2 PHE 33 2.754 -4.239 13.315 240 HE1 PHE 33 HE1 PHE 33 -0.674 -5.474 9.994 241 HE2 PHE 33 HE2 PHE 33 2.725 -6.535 12.302 242 HZ PHE 33 HZ PHE 33 1.012 -7.125 10.653 243 H ILE 34 H ILE 34 -0.419 0.944 12.239 244 HA ILE 34 HA ILE 34 1.700 2.679 13.191 245 HB ILE 34 HB ILE 34 0.152 4.444 12.944 246 1HG1 ILE 34 1HG1 ILE 34 -2.113 2.568 12.293 247 2HG1 ILE 34 2HG1 ILE 34 -1.768 3.002 13.956 248 1HG2 ILE 34 1HG2 ILE 34 1.024 2.968 10.862 249 2HG2 ILE 34 2HG2 ILE 34 -0.732 2.892 10.580 250 3HG2 ILE 34 3HG2 ILE 34 0.085 4.470 10.689 251 1HD1 ILE 34 1HD1 ILE 34 -2.371 4.938 11.674 252 2HD1 ILE 34 2HD1 ILE 34 -3.427 4.558 13.056 253 3HD1 ILE 34 3HD1 ILE 34 -1.901 5.438 13.316 254 H ASP 35 H ASP 35 -0.601 0.430 14.420 255 HA ASP 35 HA ASP 35 -1.478 1.584 16.699 256 1HB ASP 35 1HB ASP 35 -1.914 -0.609 17.471 257 2HB ASP 35 2HB ASP 35 -1.881 -0.794 15.729 258 H ASP 36 H ASP 36 -0.657 0.970 19.046 259 HA ASP 36 HA ASP 36 0.855 1.450 20.551 260 1HB ASP 36 1HB ASP 36 2.101 -0.728 18.869 261 2HB ASP 36 2HB ASP 36 3.065 -0.029 20.154 262 H ASP 37 H ASP 37 0.952 3.618 19.037 263 HA ASP 37 HA ASP 37 3.474 4.598 19.228 264 1HB ASP 37 1HB ASP 37 3.409 2.896 17.032 265 2HB ASP 37 2HB ASP 37 3.047 4.440 16.287 266 H ALA 38 H ALA 38 2.260 6.444 19.931 267 HA ALA 38 HA ALA 38 0.040 7.467 18.593 268 1HB ALA 38 1HB ALA 38 0.172 8.267 20.737 269 2HB ALA 38 2HB ALA 38 1.950 8.349 20.713 270 3HB ALA 38 3HB ALA 38 0.990 9.620 19.919 271 H ALA 39 H ALA 39 3.563 7.997 18.212 272 HA ALA 39 HA ALA 39 3.551 10.283 16.706 273 1HB ALA 39 1HB ALA 39 5.285 7.795 16.688 274 2HB ALA 39 2HB ALA 39 5.646 9.204 15.660 275 3HB ALA 39 3HB ALA 39 5.621 9.377 17.431 276 H LEU 40 H LEU 40 3.027 6.860 15.659 277 HA LEU 40 HA LEU 40 2.729 7.586 12.929 278 1HB LEU 40 1HB LEU 40 1.975 5.072 14.424 279 2HB LEU 40 2HB LEU 40 1.959 5.255 12.681 280 HG LEU 40 HG LEU 40 4.426 5.512 14.424 281 1HD1 LEU 40 1HD1 LEU 40 3.566 3.209 12.652 282 2HD1 LEU 40 2HD1 LEU 40 5.082 3.329 13.577 283 3HD1 LEU 40 3HD1 LEU 40 3.523 3.225 14.431 284 1HD2 LEU 40 1HD2 LEU 40 4.504 6.838 12.339 285 2HD2 LEU 40 2HD2 LEU 40 5.691 5.512 12.363 286 3HD2 LEU 40 3HD2 LEU 40 4.198 5.353 11.406 287 H GLU 41 H GLU 41 0.612 7.368 15.768 288 HA GLU 41 HA GLU 41 -1.781 7.259 14.329 289 1HB GLU 41 1HB GLU 41 -1.130 8.201 17.152 290 2HB GLU 41 2HB GLU 41 -2.769 8.087 16.542 291 1HG GLU 41 1HG GLU 41 -2.056 5.613 15.878 292 2HG GLU 41 2HG GLU 41 -0.784 5.857 17.058 293 H SER 42 H SER 42 0.085 9.989 15.818 294 HA SER 42 HA SER 42 -1.767 11.915 14.952 295 1HB SER 42 1HB SER 42 0.482 11.829 16.649 296 2HB SER 42 2HB SER 42 0.959 12.925 15.368 297 HG SER 42 HG SER 42 -0.795 14.276 15.818 298 H ALA 43 H ALA 43 1.059 10.307 13.542 299 HA ALA 43 HA ALA 43 1.554 12.240 11.529 300 1HB ALA 43 1HB ALA 43 3.207 10.571 12.367 301 2HB ALA 43 2HB ALA 43 2.235 9.274 11.631 302 3HB ALA 43 3HB ALA 43 3.003 10.504 10.600 303 H TYR 44 H TYR 44 -0.364 9.185 11.737 304 HA TYR 44 HA TYR 44 -1.556 9.923 9.148 305 1HB TYR 44 1HB TYR 44 -1.157 7.248 10.629 306 2HB TYR 44 2HB TYR 44 -2.002 7.387 9.101 307 HD1 TYR 44 HD1 TYR 44 -0.545 8.709 7.219 308 HD2 TYR 44 HD2 TYR 44 1.045 6.536 10.543 309 HE1 TYR 44 HE1 TYR 44 1.656 8.413 5.981 310 HE2 TYR 44 HE2 TYR 44 3.241 6.248 9.295 311 HH TYR 44 HH TYR 44 3.789 7.860 6.216 312 H GLY 45 H GLY 45 -2.351 7.856 12.037 313 1HA GLY 45 1HA GLY 45 -4.207 7.733 13.298 314 2HA GLY 45 2HA GLY 45 -4.538 9.402 12.878 315 H LEU 46 H LEU 46 -5.557 9.821 10.669 316 HA LEU 46 HA LEU 46 -7.556 7.747 10.215 317 1HB LEU 46 1HB LEU 46 -7.484 10.658 10.146 318 2HB LEU 46 2HB LEU 46 -8.208 9.981 8.701 319 HG LEU 46 HG LEU 46 -9.800 10.560 10.561 320 1HD1 LEU 46 1HD1 LEU 46 -9.774 7.681 9.615 321 2HD1 LEU 46 2HD1 LEU 46 -11.180 8.549 10.278 322 3HD1 LEU 46 3HD1 LEU 46 -10.450 9.078 8.743 323 1HD2 LEU 46 1HD2 LEU 46 -9.125 9.956 12.611 324 2HD2 LEU 46 2HD2 LEU 46 -9.819 8.370 12.195 325 3HD2 LEU 46 3HD2 LEU 46 -8.074 8.658 11.996 326 H ARG 47 H ARG 47 -4.673 9.187 8.855 327 HA ARG 47 HA ARG 47 -5.340 8.195 6.237 328 1HB ARG 47 1HB ARG 47 -2.878 9.679 7.287 329 2HB ARG 47 2HB ARG 47 -3.105 9.227 5.609 330 1HG ARG 47 1HG ARG 47 -4.301 11.121 5.271 331 2HG ARG 47 2HG ARG 47 -5.513 10.549 6.400 332 1HD ARG 47 1HD ARG 47 -4.642 11.783 8.189 333 2HD ARG 47 2HD ARG 47 -3.005 11.743 7.567 334 HE ARG 47 HE ARG 47 -4.726 13.242 5.787 335 1HH1 ARG 47 2HH2 ARG 47 -3.022 13.469 8.858 336 2HH1 ARG 47 1HH2 ARG 47 -2.880 15.194 8.797 337 1HH2 ARG 47 2HH1 ARG 47 -4.538 15.518 5.707 338 2HH2 ARG 47 1HH1 ARG 47 -3.748 16.368 6.993 339 H VAL 48 H VAL 48 -5.139 6.181 8.261 340 HA VAL 48 HA VAL 48 -2.563 5.078 8.438 341 HB VAL 48 HB VAL 48 -5.116 3.501 8.588 342 1HG1 VAL 48 1HG1 VAL 48 -3.041 3.303 10.686 343 2HG1 VAL 48 2HG1 VAL 48 -3.930 2.026 9.822 344 3HG1 VAL 48 3HG1 VAL 48 -2.522 2.803 9.059 345 1HG2 VAL 48 1HG2 VAL 48 -5.952 5.114 9.934 346 2HG2 VAL 48 2HG2 VAL 48 -4.841 4.417 11.138 347 3HG2 VAL 48 3HG2 VAL 48 -4.359 5.858 10.211 348 HA PRO 49 HA PRO 49 -4.017 2.580 4.681 349 1HB PRO 49 1HB PRO 49 -6.144 3.478 3.219 350 2HB PRO 49 2HB PRO 49 -6.283 2.240 4.451 351 1HG PRO 49 1HG PRO 49 -7.105 5.076 4.575 352 2HG PRO 49 2HG PRO 49 -7.604 3.743 5.597 353 1HD PRO 49 1HD PRO 49 -5.724 5.805 6.262 354 2HD PRO 49 2HD PRO 49 -6.137 4.409 7.237 355 H VAL 50 H VAL 50 -2.006 4.156 4.699 356 HA VAL 50 HA VAL 50 -2.259 5.717 2.225 357 HB VAL 50 HB VAL 50 -0.573 6.013 4.699 358 1HG1 VAL 50 1HG1 VAL 50 -0.123 7.486 2.082 359 2HG1 VAL 50 2HG1 VAL 50 0.771 7.705 3.606 360 3HG1 VAL 50 3HG1 VAL 50 0.911 6.177 2.704 361 1HG2 VAL 50 1HG2 VAL 50 -2.092 8.168 3.232 362 2HG2 VAL 50 2HG2 VAL 50 -2.918 7.063 4.356 363 3HG2 VAL 50 3HG2 VAL 50 -1.597 8.102 4.940 364 H LEU 51 H LEU 51 -1.227 4.964 0.445 365 HA LEU 51 HA LEU 51 0.465 2.642 0.779 366 1HB LEU 51 1HB LEU 51 -1.437 3.345 -1.045 367 2HB LEU 51 2HB LEU 51 0.030 3.768 -1.906 368 HG LEU 51 HG LEU 51 -0.443 1.047 -0.665 369 1HD1 LEU 51 1HD1 LEU 51 -0.748 0.430 -3.185 370 2HD1 LEU 51 2HD1 LEU 51 -2.121 1.064 -2.246 371 3HD1 LEU 51 3HD1 LEU 51 -1.225 2.137 -3.349 372 1HD2 LEU 51 1HD2 LEU 51 1.597 2.056 -2.665 373 2HD2 LEU 51 2HD2 LEU 51 1.897 1.528 -0.991 374 3HD2 LEU 51 3HD2 LEU 51 1.364 0.350 -2.215 375 H ARG 52 H ARG 52 2.621 2.795 1.039 376 HA ARG 52 HA ARG 52 3.840 5.242 0.044 377 1HB ARG 52 1HB ARG 52 3.935 4.762 2.558 378 2HB ARG 52 2HB ARG 52 4.922 3.360 2.197 379 1HG ARG 52 1HG ARG 52 6.405 5.108 0.841 380 2HG ARG 52 2HG ARG 52 5.600 6.290 1.854 381 1HD ARG 52 1HD ARG 52 6.589 5.493 3.825 382 2HD ARG 52 2HD ARG 52 6.754 3.859 3.214 383 HE ARG 52 HE ARG 52 8.446 5.269 1.563 384 1HH1 ARG 52 2HH2 ARG 52 8.110 5.104 5.062 385 2HH1 ARG 52 1HH2 ARG 52 9.784 5.431 5.366 386 1HH2 ARG 52 2HH1 ARG 52 10.654 5.700 1.963 387 2HH2 ARG 52 1HH1 ARG 52 11.241 5.773 3.591 388 H ASP 53 H ASP 53 5.944 5.061 -1.042 389 HA ASP 53 HA ASP 53 6.409 2.352 -2.015 390 1HB ASP 53 1HB ASP 53 7.602 3.838 -3.922 391 2HB ASP 53 2HB ASP 53 5.902 3.419 -3.996 392 HA PRO 54 HA PRO 54 10.549 2.902 -0.674 393 1HB PRO 54 1HB PRO 54 12.037 1.553 -2.526 394 2HB PRO 54 2HB PRO 54 11.151 0.754 -1.242 395 1HG PRO 54 1HG PRO 54 10.492 0.926 -4.119 396 2HG PRO 54 2HG PRO 54 9.879 -0.192 -2.917 397 1HD PRO 54 1HD PRO 54 8.514 2.090 -3.993 398 2HD PRO 54 2HD PRO 54 7.949 1.040 -2.709 399 H MET 55 H MET 55 9.740 4.050 -3.790 400 HA MET 55 HA MET 55 12.166 5.285 -4.349 401 1HB MET 55 1HB MET 55 9.268 5.860 -5.158 402 2HB MET 55 2HB MET 55 10.612 6.754 -5.841 403 1HG MET 55 1HG MET 55 11.241 5.014 -7.195 404 2HG MET 55 2HG MET 55 11.038 3.825 -5.923 405 1HE MET 55 1HE MET 55 10.551 2.483 -7.799 406 2HE MET 55 2HE MET 55 9.068 1.789 -7.100 407 3HE MET 55 3HE MET 55 9.054 2.432 -8.760 408 H GLY 56 H GLY 56 9.185 6.432 -2.657 409 1HA GLY 56 1HA GLY 56 9.742 7.882 -0.712 410 2HA GLY 56 2HA GLY 56 10.696 8.839 -1.828 411 H ARG 57 H ARG 57 7.423 7.281 -2.134 412 HA ARG 57 HA ARG 57 6.319 9.942 -2.364 413 1HB ARG 57 1HB ARG 57 5.698 7.723 -4.375 414 2HB ARG 57 2HB ARG 57 5.064 9.356 -4.408 415 1HG ARG 57 1HG ARG 57 7.852 9.733 -4.302 416 2HG ARG 57 2HG ARG 57 7.665 8.344 -5.354 417 1HD ARG 57 1HD ARG 57 5.970 10.842 -5.744 418 2HD ARG 57 2HD ARG 57 7.576 10.724 -6.434 419 HE ARG 57 HE ARG 57 6.366 8.355 -7.223 420 1HH1 ARG 57 2HH2 ARG 57 5.525 11.758 -7.528 421 2HH1 ARG 57 1HH2 ARG 57 4.651 11.541 -9.008 422 1HH2 ARG 57 2HH1 ARG 57 5.213 8.068 -9.175 423 2HH2 ARG 57 1HH1 ARG 57 4.472 9.428 -9.951 424 H GLU 58 H GLU 58 3.831 9.864 -2.242 425 HA GLU 58 HA GLU 58 2.923 7.410 -0.984 426 1HB GLU 58 1HB GLU 58 2.755 10.213 0.174 427 2HB GLU 58 2HB GLU 58 1.639 8.957 0.669 428 1HG GLU 58 1HG GLU 58 4.078 7.639 0.851 429 2HG GLU 58 2HG GLU 58 4.526 9.274 1.299 430 H LEU 59 H LEU 59 0.660 6.972 -1.267 431 HA LEU 59 HA LEU 59 -0.634 8.801 -3.169 432 1HB LEU 59 1HB LEU 59 0.108 6.670 -4.162 433 2HB LEU 59 2HB LEU 59 -0.868 5.794 -3.000 434 HG LEU 59 HG LEU 59 -2.911 6.801 -3.929 435 1HD1 LEU 59 1HD1 LEU 59 -1.043 8.122 -5.915 436 2HD1 LEU 59 2HD1 LEU 59 -2.818 8.079 -6.038 437 3HD1 LEU 59 3HD1 LEU 59 -2.040 8.932 -4.683 438 1HD2 LEU 59 1HD2 LEU 59 -2.127 5.836 -6.454 439 2HD2 LEU 59 2HD2 LEU 59 -1.158 4.942 -5.259 440 3HD2 LEU 59 3HD2 LEU 59 -2.934 4.945 -5.142 441 H ASP 60 H ASP 60 -2.837 9.287 -2.843 442 HA ASP 60 HA ASP 60 -3.642 9.529 -0.274 443 1HB ASP 60 1HB ASP 60 -5.838 10.078 -1.164 444 2HB ASP 60 2HB ASP 60 -4.631 10.678 -2.284 445 H TRP 61 H TRP 61 -5.633 8.443 0.796 446 HA TRP 61 HA TRP 61 -5.256 5.636 0.827 447 1HB TRP 61 1HB TRP 61 -5.960 6.128 2.871 448 2HB TRP 61 2HB TRP 61 -6.662 7.653 2.367 449 HD1 TRP 61 HD1 TRP 61 -9.134 7.602 3.212 450 HE1 TRP 61 HE1 TRP 61 -11.205 5.966 3.170 451 HE3 TRP 61 HE3 TRP 61 -6.674 3.700 1.071 452 HZ2 TRP 61 HZ2 TRP 61 -11.573 3.284 2.266 453 HZ3 TRP 61 HZ3 TRP 61 -7.962 1.610 0.643 454 HH2 TRP 61 HH2 TRP 61 -10.329 1.365 1.204 455 HA PRO 62 HA PRO 62 -9.414 5.741 -1.447 456 1HB PRO 62 1HB PRO 62 -10.486 8.117 -2.269 457 2HB PRO 62 2HB PRO 62 -10.932 7.333 -0.766 458 1HG PRO 62 1HG PRO 62 -9.209 9.699 -1.183 459 2HG PRO 62 2HG PRO 62 -10.002 9.164 0.285 460 1HD PRO 62 1HD PRO 62 -7.223 8.879 -0.367 461 2HD PRO 62 2HD PRO 62 -8.038 8.242 1.047 462 H PHE 63 H PHE 63 -8.934 4.694 -3.263 463 HA PHE 63 HA PHE 63 -8.259 6.358 -5.515 464 1HB PHE 63 1HB PHE 63 -6.265 4.590 -5.853 465 2HB PHE 63 2HB PHE 63 -6.006 5.997 -4.842 466 HD1 PHE 63 HD1 PHE 63 -7.836 2.834 -4.103 467 HD2 PHE 63 HD2 PHE 63 -4.526 5.326 -3.190 468 HE1 PHE 63 HE1 PHE 63 -7.243 1.340 -2.176 469 HE2 PHE 63 HE2 PHE 63 -3.933 3.832 -1.262 470 HZ PHE 63 HZ PHE 63 -5.298 1.857 -0.778 471 H ASP 64 H ASP 64 -7.529 4.485 -7.376 472 HA ASP 64 HA ASP 64 -9.661 2.508 -7.157 473 1HB ASP 64 1HB ASP 64 -8.704 3.802 -9.746 474 2HB ASP 64 2HB ASP 64 -10.107 2.772 -9.539 475 H ALA 65 H ALA 65 -9.106 1.001 -9.460 476 HA ALA 65 HA ALA 65 -6.665 -0.290 -8.705 477 1HB ALA 65 1HB ALA 65 -9.070 -1.089 -9.777 478 2HB ALA 65 2HB ALA 65 -8.014 -1.102 -11.210 479 3HB ALA 65 3HB ALA 65 -7.582 -2.067 -9.779 480 HA PRO 66 HA PRO 66 -5.440 1.435 -12.941 481 1HB PRO 66 1HB PRO 66 -7.017 3.301 -14.165 482 2HB PRO 66 2HB PRO 66 -7.096 1.590 -14.533 483 1HG PRO 66 1HG PRO 66 -8.980 3.236 -12.959 484 2HG PRO 66 2HG PRO 66 -9.241 1.664 -13.688 485 1HD PRO 66 1HD PRO 66 -8.771 2.211 -10.912 486 2HD PRO 66 2HD PRO 66 -8.916 0.633 -11.659 487 H ARG 67 H ARG 67 -6.835 3.440 -10.550 488 HA ARG 67 HA ARG 67 -5.165 5.638 -11.247 489 1HB ARG 67 1HB ARG 67 -7.543 5.391 -9.858 490 2HB ARG 67 2HB ARG 67 -6.412 5.555 -8.531 491 1HG ARG 67 1HG ARG 67 -5.834 7.734 -9.095 492 2HG ARG 67 2HG ARG 67 -6.042 7.463 -10.814 493 1HD ARG 67 1HD ARG 67 -8.613 7.148 -9.488 494 2HD ARG 67 2HD ARG 67 -7.899 8.670 -8.996 495 HE ARG 67 HE ARG 67 -8.906 8.014 -11.640 496 1HH1 ARG 67 2HH2 ARG 67 -6.509 9.954 -9.945 497 2HH1 ARG 67 1HH2 ARG 67 -6.399 11.144 -11.198 498 1HH2 ARG 67 2HH1 ARG 67 -8.761 9.584 -13.294 499 2HH2 ARG 67 1HH1 ARG 67 -7.689 10.932 -13.116 500 H LEU 68 H LEU 68 -5.166 2.858 -9.022 501 HA LEU 68 HA LEU 68 -3.003 3.883 -7.437 502 1HB LEU 68 1HB LEU 68 -4.836 2.423 -6.584 503 2HB LEU 68 2HB LEU 68 -4.190 1.107 -7.545 504 HG LEU 68 HG LEU 68 -2.031 2.123 -6.001 505 1HD1 LEU 68 1HD1 LEU 68 -4.612 2.321 -4.615 506 2HD1 LEU 68 2HD1 LEU 68 -3.398 1.344 -3.755 507 3HD1 LEU 68 3HD1 LEU 68 -3.027 3.023 -4.212 508 1HD2 LEU 68 1HD2 LEU 68 -1.686 -0.064 -5.561 509 2HD2 LEU 68 2HD2 LEU 68 -3.386 -0.366 -5.131 510 3HD2 LEU 68 3HD2 LEU 68 -2.902 -0.285 -6.842 511 H ARG 69 H ARG 69 -3.483 1.630 -10.190 512 HA ARG 69 HA ARG 69 -0.834 0.714 -10.127 513 1HB ARG 69 1HB ARG 69 -2.650 -0.574 -11.211 514 2HB ARG 69 2HB ARG 69 -2.927 0.720 -12.360 515 1HG ARG 69 1HG ARG 69 -1.564 -0.683 -13.634 516 2HG ARG 69 2HG ARG 69 -0.357 0.384 -12.944 517 1HD ARG 69 1HD ARG 69 0.483 -1.249 -11.515 518 2HD ARG 69 2HD ARG 69 -1.073 -2.025 -11.303 519 HE ARG 69 HE ARG 69 -0.346 -2.405 -14.015 520 1HH1 ARG 69 2HH2 ARG 69 0.845 -3.329 -10.835 521 2HH1 ARG 69 1HH2 ARG 69 1.571 -4.799 -11.394 522 1HH2 ARG 69 2HH1 ARG 69 0.612 -4.344 -14.752 523 2HH2 ARG 69 1HH1 ARG 69 1.438 -5.380 -13.637 524 H ALA 70 H ALA 70 -2.636 3.152 -12.125 525 HA ALA 70 HA ALA 70 -0.574 3.867 -13.814 526 1HB ALA 70 1HB ALA 70 -1.877 6.096 -13.862 527 2HB ALA 70 2HB ALA 70 -2.769 4.619 -14.299 528 3HB ALA 70 3HB ALA 70 -2.973 5.336 -12.683 529 H TRP 71 H TRP 71 -1.157 4.620 -10.395 530 HA TRP 71 HA TRP 71 0.625 6.825 -10.288 531 1HB TRP 71 1HB TRP 71 -1.084 6.673 -8.656 532 2HB TRP 71 2HB TRP 71 -0.630 5.040 -8.209 533 HD1 TRP 71 HD1 TRP 71 0.773 8.657 -7.882 534 HE1 TRP 71 HE1 TRP 71 2.344 8.861 -5.772 535 HE3 TRP 71 HE3 TRP 71 0.659 3.721 -6.666 536 HZ2 TRP 71 HZ2 TRP 71 3.341 6.978 -3.874 537 HZ3 TRP 71 HZ3 TRP 71 1.958 2.987 -4.670 538 HH2 TRP 71 HH2 TRP 71 3.267 4.525 -3.293 539 H LEU 72 H LEU 72 0.835 3.262 -9.881 540 HA LEU 72 HA LEU 72 3.450 3.253 -8.839 541 1HB LEU 72 1HB LEU 72 1.791 1.161 -10.245 542 2HB LEU 72 2HB LEU 72 3.380 0.845 -9.579 543 HG LEU 72 HG LEU 72 1.371 2.061 -7.744 544 1HD1 LEU 72 1HD1 LEU 72 -0.204 0.548 -8.214 545 2HD1 LEU 72 2HD1 LEU 72 0.910 -0.456 -9.173 546 3HD1 LEU 72 3HD1 LEU 72 0.865 -0.620 -7.401 547 1HD2 LEU 72 1HD2 LEU 72 3.784 1.446 -7.181 548 2HD2 LEU 72 2HD2 LEU 72 2.515 0.870 -6.074 549 3HD2 LEU 72 3HD2 LEU 72 3.248 -0.250 -7.248 550 H ASP 73 H ASP 73 2.115 2.846 -12.183 551 HA ASP 73 HA ASP 73 4.635 2.524 -13.331 552 1HB ASP 73 1HB ASP 73 2.271 1.995 -14.284 553 2HB ASP 73 2HB ASP 73 2.183 3.692 -14.711 554 H ALA 74 H ALA 74 2.494 5.315 -12.599 555 HA ALA 74 HA ALA 74 3.426 7.310 -14.120 556 1HB ALA 74 1HB ALA 74 1.856 8.109 -12.680 557 2HB ALA 74 2HB ALA 74 2.385 7.048 -11.354 558 3HB ALA 74 3HB ALA 74 3.263 8.559 -11.689 559 H ALA 75 H ALA 75 5.157 5.641 -11.483 560 HA ALA 75 HA ALA 75 7.242 5.772 -10.752 561 1HB ALA 75 1HB ALA 75 8.486 5.222 -12.538 562 2HB ALA 75 2HB ALA 75 7.318 6.005 -13.629 563 3HB ALA 75 3HB ALA 75 8.649 6.953 -12.923 564 HA PRO 76 HA PRO 76 8.116 9.773 -9.360 565 1HB PRO 76 1HB PRO 76 10.805 9.758 -8.873 566 2HB PRO 76 2HB PRO 76 9.632 9.031 -7.794 567 1HG PRO 76 1HG PRO 76 11.495 7.708 -9.670 568 2HG PRO 76 2HG PRO 76 10.638 7.019 -8.305 569 1HD PRO 76 1HD PRO 76 9.979 6.709 -11.079 570 2HD PRO 76 2HD PRO 76 9.057 6.118 -9.710 571 H HIS 77 H HIS 77 9.614 11.815 -9.538 572 HA HIS 77 HA HIS 77 10.681 12.036 -12.193 573 1HB HIS 77 1HB HIS 77 7.978 12.717 -11.769 574 2HB HIS 77 2HB HIS 77 8.839 14.242 -11.827 575 HD1 HIS 77 HD1 HIS 77 7.654 14.735 -14.140 576 HD2 HIS 77 HD2 HIS 77 10.243 11.435 -14.141 577 HE1 HIS 77 HE1 HIS 77 8.073 14.156 -16.589 578 H ALA 78 H ALA 78 9.363 14.306 -9.675 579 HA ALA 78 HA ALA 78 12.131 15.183 -9.235 580 1HB ALA 78 1HB ALA 78 10.173 17.308 -8.877 581 2HB ALA 78 2HB ALA 78 11.634 17.276 -9.894 582 3HB ALA 78 3HB ALA 78 10.095 16.643 -10.527 Start of MODEL 8 1 1H MET 1 1H MET 1 14.335 -3.491 -2.125 2 HA MET 1 HA MET 1 13.140 -2.883 0.464 3 1HB MET 1 1HB MET 1 12.650 -0.593 -0.391 4 2HB MET 1 2HB MET 1 14.375 -0.896 -0.453 5 1HG MET 1 1HG MET 1 12.964 -1.740 -2.921 6 2HG MET 1 2HG MET 1 12.804 -0.026 -2.593 7 1HE MET 1 1HE MET 1 16.156 -1.883 -4.683 8 2HE MET 1 2HE MET 1 14.798 -2.780 -3.961 9 3HE MET 1 3HE MET 1 14.481 -1.459 -5.112 10 H ALA 2 H ALA 2 10.785 -1.859 0.009 11 HA ALA 2 HA ALA 2 9.495 -2.820 -2.341 12 1HB ALA 2 1HB ALA 2 9.768 -4.616 -0.096 13 2HB ALA 2 2HB ALA 2 8.056 -4.173 -0.294 14 3HB ALA 2 3HB ALA 2 8.954 -4.888 -1.655 15 H LEU 3 H LEU 3 6.907 -2.678 -1.777 16 HA LEU 3 HA LEU 3 6.568 0.036 -1.021 17 1HB LEU 3 1HB LEU 3 4.667 -2.183 -1.763 18 2HB LEU 3 2HB LEU 3 4.122 -0.574 -1.331 19 HG LEU 3 HG LEU 3 6.116 -1.016 -3.554 20 1HD1 LEU 3 1HD1 LEU 3 4.144 -0.873 -5.114 21 2HD1 LEU 3 2HD1 LEU 3 4.292 -2.395 -4.203 22 3HD1 LEU 3 3HD1 LEU 3 3.099 -1.173 -3.704 23 1HD2 LEU 3 1HD2 LEU 3 5.947 1.176 -3.950 24 2HD2 LEU 3 2HD2 LEU 3 4.178 1.172 -3.753 25 3HD2 LEU 3 3HD2 LEU 3 5.232 1.280 -2.323 26 H THR 4 H THR 4 4.490 0.436 0.539 27 HA THR 4 HA THR 4 4.489 -1.317 2.824 28 HB THR 4 HB THR 4 5.832 1.428 2.853 29 HG1 THR 4 HG1 THR 4 7.457 -0.029 3.859 30 1HG2 THR 4 1HG2 THR 4 6.089 0.835 5.373 31 2HG2 THR 4 2HG2 THR 4 4.506 1.474 4.867 32 3HG2 THR 4 3HG2 THR 4 4.718 -0.274 5.130 33 H LEU 5 H LEU 5 2.382 -1.527 3.212 34 HA LEU 5 HA LEU 5 0.743 0.887 2.875 35 1HB LEU 5 1HB LEU 5 -0.070 -0.609 1.333 36 2HB LEU 5 2HB LEU 5 0.267 -2.009 2.332 37 HG LEU 5 HG LEU 5 -1.614 -0.915 3.877 38 1HD1 LEU 5 1HD1 LEU 5 -1.857 0.494 1.293 39 2HD1 LEU 5 2HD1 LEU 5 -3.369 -0.187 1.939 40 3HD1 LEU 5 3HD1 LEU 5 -2.417 0.954 2.918 41 1HD2 LEU 5 1HD2 LEU 5 -1.544 -3.180 2.758 42 2HD2 LEU 5 2HD2 LEU 5 -3.162 -2.474 2.988 43 3HD2 LEU 5 3HD2 LEU 5 -2.394 -2.436 1.383 44 H TYR 6 H TYR 6 0.664 1.864 4.853 45 HA TYR 6 HA TYR 6 0.851 0.469 7.277 46 1HB TYR 6 1HB TYR 6 -0.378 3.170 6.440 47 2HB TYR 6 2HB TYR 6 -0.017 2.753 8.103 48 HD1 TYR 6 HD1 TYR 6 1.288 4.078 5.020 49 HD2 TYR 6 HD2 TYR 6 2.417 2.318 8.753 50 HE1 TYR 6 HE1 TYR 6 3.647 4.987 4.744 51 HE2 TYR 6 HE2 TYR 6 4.771 3.232 8.464 52 HH TYR 6 HH TYR 6 6.224 3.920 6.660 53 H GLN 7 H GLN 7 -0.653 -0.436 8.641 54 HA GLN 7 HA GLN 7 -3.375 0.237 8.456 55 1HB GLN 7 1HB GLN 7 -4.287 -1.876 7.648 56 2HB GLN 7 2HB GLN 7 -3.198 -1.228 6.438 57 1HG GLN 7 1HG GLN 7 -1.712 -2.959 6.658 58 2HG GLN 7 2HG GLN 7 -1.833 -2.972 8.406 59 1HE2 GLN 7 1HE2 GLN 7 -2.756 -4.422 5.488 60 2HE2 GLN 7 2HE2 GLN 7 -3.883 -5.595 6.086 61 H ARG 8 H ARG 8 -4.605 -0.687 10.232 62 HA ARG 8 HA ARG 8 -3.041 -2.378 11.985 63 1HB ARG 8 1HB ARG 8 -3.966 -0.920 13.940 64 2HB ARG 8 2HB ARG 8 -2.627 -0.270 13.015 65 1HG ARG 8 1HG ARG 8 -3.865 1.510 12.343 66 2HG ARG 8 2HG ARG 8 -5.124 0.464 11.717 67 1HD ARG 8 1HD ARG 8 -6.318 0.444 13.773 68 2HD ARG 8 2HD ARG 8 -4.914 0.913 14.710 69 HE ARG 8 HE ARG 8 -5.376 3.044 12.928 70 1HH1 ARG 8 2HH2 ARG 8 -7.136 1.436 15.516 71 2HH1 ARG 8 1HH2 ARG 8 -8.034 2.850 15.956 72 1HH2 ARG 8 2HH1 ARG 8 -6.560 4.910 13.509 73 2HH2 ARG 8 1HH1 ARG 8 -7.704 4.839 14.807 74 H ASP 9 H ASP 9 -4.289 -4.105 12.655 75 HA ASP 9 HA ASP 9 -6.005 -5.338 13.142 76 1HB ASP 9 1HB ASP 9 -6.656 -3.415 14.649 77 2HB ASP 9 2HB ASP 9 -7.615 -2.748 13.343 78 H ASP 10 H ASP 10 -6.437 -6.437 11.187 79 HA ASP 10 HA ASP 10 -7.076 -5.492 8.820 80 1HB ASP 10 1HB ASP 10 -6.866 -7.941 9.628 81 2HB ASP 10 2HB ASP 10 -8.575 -7.868 10.006 82 H CYS 11 H CYS 11 -8.704 -4.129 8.066 83 HA CYS 11 HA CYS 11 -11.317 -4.359 9.365 84 1HB CYS 11 1HB CYS 11 -9.613 -1.950 9.024 85 2HB CYS 11 2HB CYS 11 -11.306 -1.745 8.621 86 HG CYS 11 HG CYS 11 -10.096 -1.406 11.297 87 H HIS 12 H HIS 12 -13.050 -3.264 7.830 88 HA HIS 12 HA HIS 12 -12.822 -4.558 5.335 89 1HB HIS 12 1HB HIS 12 -14.867 -3.507 6.945 90 2HB HIS 12 2HB HIS 12 -14.928 -2.559 5.472 91 HD1 HIS 12 HD1 HIS 12 -17.123 -4.681 6.335 92 HD2 HIS 12 HD2 HIS 12 -14.022 -5.344 3.589 93 HE1 HIS 12 HE1 HIS 12 -17.892 -6.599 4.837 94 H LEU 13 H LEU 13 -12.631 -1.125 6.437 95 HA LEU 13 HA LEU 13 -12.464 0.027 3.920 96 1HB LEU 13 1HB LEU 13 -12.908 1.286 5.924 97 2HB LEU 13 2HB LEU 13 -11.338 0.878 6.588 98 HG LEU 13 HG LEU 13 -10.877 2.118 4.067 99 1HD1 LEU 13 1HD1 LEU 13 -12.027 4.146 4.096 100 2HD1 LEU 13 2HD1 LEU 13 -13.278 2.944 4.494 101 3HD1 LEU 13 3HD1 LEU 13 -12.555 3.937 5.782 102 1HD2 LEU 13 1HD2 LEU 13 -9.331 2.138 5.940 103 2HD2 LEU 13 2HD2 LEU 13 -9.724 3.802 5.443 104 3HD2 LEU 13 3HD2 LEU 13 -10.471 3.109 6.902 105 H CYS 14 H CYS 14 -10.093 -1.755 5.868 106 HA CYS 14 HA CYS 14 -7.863 -0.864 4.353 107 1HB CYS 14 1HB CYS 14 -8.243 -3.121 6.337 108 2HB CYS 14 2HB CYS 14 -6.720 -2.825 5.523 109 HG CYS 14 HG CYS 14 -8.348 -0.304 6.833 110 H ASP 15 H ASP 15 -9.963 -3.819 4.487 111 HA ASP 15 HA ASP 15 -8.683 -5.355 2.682 112 1HB ASP 15 1HB ASP 15 -11.402 -5.096 3.744 113 2HB ASP 15 2HB ASP 15 -11.447 -5.636 2.077 114 H GLN 16 H GLN 16 -10.805 -2.507 2.191 115 HA GLN 16 HA GLN 16 -11.215 -2.882 -0.542 116 1HB GLN 16 1HB GLN 16 -11.667 -0.751 1.469 117 2HB GLN 16 2HB GLN 16 -11.411 -0.142 -0.154 118 1HG GLN 16 1HG GLN 16 -13.141 -2.365 -0.484 119 2HG GLN 16 2HG GLN 16 -13.734 -1.549 0.949 120 1HE2 GLN 16 1HE2 GLN 16 -14.101 0.772 0.829 121 2HE2 GLN 16 2HE2 GLN 16 -14.658 1.482 -0.650 122 H ALA 17 H ALA 17 -8.573 -1.494 1.381 123 HA ALA 17 HA ALA 17 -7.371 -0.099 -0.787 124 1HB ALA 17 1HB ALA 17 -5.685 0.421 0.776 125 2HB ALA 17 2HB ALA 17 -7.147 0.258 1.778 126 3HB ALA 17 3HB ALA 17 -5.962 -1.068 1.711 127 H VAL 18 H VAL 18 -6.827 -3.281 0.859 128 HA VAL 18 HA VAL 18 -4.631 -4.030 -0.680 129 HB VAL 18 HB VAL 18 -6.758 -5.700 0.675 130 1HG1 VAL 18 1HG1 VAL 18 -5.743 -7.459 -0.258 131 2HG1 VAL 18 2HG1 VAL 18 -4.444 -6.442 -0.926 132 3HG1 VAL 18 3HG1 VAL 18 -4.319 -7.068 0.736 133 1HG2 VAL 18 1HG2 VAL 18 -5.682 -4.145 2.219 134 2HG2 VAL 18 2HG2 VAL 18 -5.148 -5.811 2.546 135 3HG2 VAL 18 3HG2 VAL 18 -4.075 -4.687 1.678 136 H GLU 19 H GLU 19 -8.164 -4.233 -1.243 137 HA GLU 19 HA GLU 19 -8.084 -5.981 -3.365 138 1HB GLU 19 1HB GLU 19 -10.021 -4.439 -2.022 139 2HB GLU 19 2HB GLU 19 -10.114 -3.885 -3.682 140 1HG GLU 19 1HG GLU 19 -10.853 -5.933 -4.479 141 2HG GLU 19 2HG GLU 19 -9.914 -6.850 -3.318 142 H ALA 20 H ALA 20 -7.958 -2.353 -3.325 143 HA ALA 20 HA ALA 20 -7.799 -2.028 -6.084 144 1HB ALA 20 1HB ALA 20 -7.698 -0.443 -3.706 145 2HB ALA 20 2HB ALA 20 -6.301 0.006 -4.714 146 3HB ALA 20 3HB ALA 20 -7.948 0.099 -5.383 147 H LEU 21 H LEU 21 -5.317 -2.702 -3.578 148 HA LEU 21 HA LEU 21 -3.094 -2.235 -5.210 149 1HB LEU 21 1HB LEU 21 -3.683 -3.452 -2.604 150 2HB LEU 21 2HB LEU 21 -2.287 -4.139 -3.411 151 HG LEU 21 HG LEU 21 -2.620 -1.161 -3.010 152 1HD1 LEU 21 1HD1 LEU 21 -1.904 -3.240 -1.051 153 2HD1 LEU 21 2HD1 LEU 21 -0.750 -1.889 -1.162 154 3HD1 LEU 21 3HD1 LEU 21 -2.465 -1.568 -0.810 155 1HD2 LEU 21 1HD2 LEU 21 0.042 -2.465 -3.156 156 2HD2 LEU 21 2HD2 LEU 21 -0.917 -2.435 -4.655 157 3HD2 LEU 21 3HD2 LEU 21 -0.524 -0.913 -3.820 158 H ALA 22 H ALA 22 -4.737 -5.353 -4.312 159 HA ALA 22 HA ALA 22 -3.233 -6.971 -5.964 160 1HB ALA 22 1HB ALA 22 -5.929 -7.932 -5.869 161 2HB ALA 22 2HB ALA 22 -4.535 -8.453 -4.892 162 3HB ALA 22 3HB ALA 22 -5.579 -7.131 -4.318 163 H GLN 23 H GLN 23 -6.278 -5.135 -6.636 164 HA GLN 23 HA GLN 23 -6.689 -6.106 -9.163 165 1HB GLN 23 1HB GLN 23 -7.424 -3.567 -7.718 166 2HB GLN 23 2HB GLN 23 -7.728 -3.651 -9.442 167 1HG GLN 23 1HG GLN 23 -8.637 -6.139 -8.414 168 2HG GLN 23 2HG GLN 23 -9.173 -4.944 -7.249 169 1HE2 GLN 23 1HE2 GLN 23 -10.340 -3.072 -8.028 170 2HE2 GLN 23 2HE2 GLN 23 -11.374 -3.202 -9.412 171 H ALA 24 H ALA 24 -4.669 -3.336 -8.029 172 HA ALA 24 HA ALA 24 -3.936 -2.558 -10.664 173 1HB ALA 24 1HB ALA 24 -3.928 -1.341 -8.252 174 2HB ALA 24 2HB ALA 24 -2.229 -1.868 -8.312 175 3HB ALA 24 3HB ALA 24 -2.883 -0.823 -9.597 176 H ARG 25 H ARG 25 -3.105 -5.193 -8.622 177 HA ARG 25 HA ARG 25 -1.630 -6.765 -8.754 178 1HB ARG 25 1HB ARG 25 -1.559 -5.651 -11.533 179 2HB ARG 25 2HB ARG 25 -0.182 -6.643 -11.097 180 1HG ARG 25 1HG ARG 25 -2.611 -7.933 -10.157 181 2HG ARG 25 2HG ARG 25 -2.805 -7.516 -11.848 182 1HD ARG 25 1HD ARG 25 -0.391 -8.551 -12.137 183 2HD ARG 25 2HD ARG 25 -0.695 -9.294 -10.579 184 HE ARG 25 HE ARG 25 -2.269 -10.722 -11.579 185 1HH1 ARG 25 2HH2 ARG 25 -1.512 -8.083 -13.780 186 2HH1 ARG 25 1HH2 ARG 25 -2.364 -8.783 -15.116 187 1HH2 ARG 25 2HH1 ARG 25 -3.394 -11.646 -13.341 188 2HH2 ARG 25 1HH1 ARG 25 -3.442 -10.823 -14.864 189 H ALA 26 H ALA 26 -0.867 -4.381 -7.396 190 HA ALA 26 HA ALA 26 1.532 -3.252 -8.126 191 1HB ALA 26 1HB ALA 26 0.290 -3.850 -5.418 192 2HB ALA 26 2HB ALA 26 1.756 -2.862 -5.621 193 3HB ALA 26 3HB ALA 26 0.218 -2.332 -6.343 194 H GLY 27 H GLY 27 0.937 -6.163 -6.034 195 1HA GLY 27 1HA GLY 27 2.453 -8.052 -6.669 196 2HA GLY 27 2HA GLY 27 3.765 -6.906 -6.476 197 H ALA 28 H ALA 28 4.832 -7.771 -4.691 198 HA ALA 28 HA ALA 28 3.222 -8.373 -2.334 199 1HB ALA 28 1HB ALA 28 6.163 -8.764 -2.291 200 2HB ALA 28 2HB ALA 28 4.854 -9.870 -1.810 201 3HB ALA 28 3HB ALA 28 5.295 -9.705 -3.527 202 H PHE 29 H PHE 29 3.893 -7.505 -0.212 203 HA PHE 29 HA PHE 29 5.671 -5.259 -0.213 204 1HB PHE 29 1HB PHE 29 3.747 -3.765 0.665 205 2HB PHE 29 2HB PHE 29 3.655 -4.146 -1.043 206 HD1 PHE 29 HD1 PHE 29 1.708 -5.073 -1.916 207 HD2 PHE 29 HD2 PHE 29 2.396 -5.301 2.265 208 HE1 PHE 29 HE1 PHE 29 -0.604 -5.993 -1.586 209 HE2 PHE 29 HE2 PHE 29 0.084 -6.220 2.595 210 HZ PHE 29 HZ PHE 29 -1.388 -6.555 0.666 211 H PHE 30 H PHE 30 5.289 -4.084 2.134 212 HA PHE 30 HA PHE 30 5.139 -6.328 4.020 213 1HB PHE 30 1HB PHE 30 6.654 -3.650 3.988 214 2HB PHE 30 2HB PHE 30 6.657 -4.723 5.373 215 HD1 PHE 30 HD1 PHE 30 8.591 -3.719 2.760 216 HD2 PHE 30 HD2 PHE 30 7.196 -7.314 4.533 217 HE1 PHE 30 HE1 PHE 30 10.552 -4.955 1.798 218 HE2 PHE 30 HE2 PHE 30 9.157 -8.550 3.571 219 HZ PHE 30 HZ PHE 30 10.811 -7.356 2.215 220 H SER 31 H SER 31 3.913 -6.117 5.913 221 HA SER 31 HA SER 31 2.046 -3.921 5.818 222 1HB SER 31 1HB SER 31 2.132 -6.609 7.197 223 2HB SER 31 2HB SER 31 1.063 -5.369 7.822 224 HG SER 31 HG SER 31 -0.286 -6.111 6.324 225 H VAL 32 H VAL 32 2.053 -2.226 7.286 226 HA VAL 32 HA VAL 32 3.832 -2.523 9.605 227 HB VAL 32 HB VAL 32 3.532 -0.196 7.703 228 1HG1 VAL 32 1HG1 VAL 32 5.041 1.059 9.170 229 2HG1 VAL 32 2HG1 VAL 32 3.538 0.629 10.021 230 3HG1 VAL 32 3HG1 VAL 32 5.034 -0.281 10.342 231 1HG2 VAL 32 1HG2 VAL 32 5.967 -1.813 8.531 232 2HG2 VAL 32 2HG2 VAL 32 5.081 -1.986 6.997 233 3HG2 VAL 32 3HG2 VAL 32 5.936 -0.469 7.364 234 H PHE 33 H PHE 33 2.857 -2.127 11.533 235 HA PHE 33 HA PHE 33 0.126 -1.136 11.416 236 1HB PHE 33 1HB PHE 33 1.779 -2.168 13.789 237 2HB PHE 33 2HB PHE 33 0.031 -2.130 13.673 238 HD1 PHE 33 HD1 PHE 33 2.840 -4.182 13.429 239 HD2 PHE 33 HD2 PHE 33 -0.944 -3.530 11.623 240 HE1 PHE 33 HE1 PHE 33 2.846 -6.539 12.563 241 HE2 PHE 33 HE2 PHE 33 -0.938 -5.886 10.757 242 HZ PHE 33 HZ PHE 33 0.958 -7.362 11.238 243 H ILE 34 H ILE 34 -0.370 0.945 11.909 244 HA ILE 34 HA ILE 34 1.695 2.672 12.868 245 HB ILE 34 HB ILE 34 0.159 4.424 12.487 246 1HG1 ILE 34 1HG1 ILE 34 -2.213 2.854 11.772 247 2HG1 ILE 34 2HG1 ILE 34 -1.781 2.704 13.464 248 1HG2 ILE 34 1HG2 ILE 34 0.927 2.657 10.530 249 2HG2 ILE 34 2HG2 ILE 34 -0.826 2.797 10.254 250 3HG2 ILE 34 3HG2 ILE 34 0.194 4.256 10.259 251 1HD1 ILE 34 1HD1 ILE 34 -1.907 5.073 13.827 252 2HD1 ILE 34 2HD1 ILE 34 -1.916 5.412 12.079 253 3HD1 ILE 34 3HD1 ILE 34 -3.336 4.663 12.848 254 H ASP 35 H ASP 35 -0.680 0.595 14.293 255 HA ASP 35 HA ASP 35 -1.146 2.138 16.593 256 1HB ASP 35 1HB ASP 35 -2.407 0.035 15.567 257 2HB ASP 35 2HB ASP 35 -1.277 -0.891 16.534 258 H ASP 36 H ASP 36 1.169 2.723 17.106 259 HA ASP 36 HA ASP 36 2.197 1.323 19.166 260 1HB ASP 36 1HB ASP 36 2.861 0.052 16.654 261 2HB ASP 36 2HB ASP 36 4.332 0.738 17.314 262 H ASP 37 H ASP 37 2.773 3.210 16.180 263 HA ASP 37 HA ASP 37 4.835 4.707 17.584 264 1HB ASP 37 1HB ASP 37 4.199 4.205 14.671 265 2HB ASP 37 2HB ASP 37 5.038 5.683 15.095 266 H ALA 38 H ALA 38 3.592 6.261 18.746 267 HA ALA 38 HA ALA 38 1.210 7.366 17.997 268 1HB ALA 38 1HB ALA 38 2.749 7.541 20.158 269 2HB ALA 38 2HB ALA 38 3.263 9.062 19.391 270 3HB ALA 38 3HB ALA 38 1.547 8.800 19.785 271 H ALA 39 H ALA 39 4.538 8.221 16.981 272 HA ALA 39 HA ALA 39 3.978 10.669 15.804 273 1HB ALA 39 1HB ALA 39 5.949 8.952 14.417 274 2HB ALA 39 2HB ALA 39 6.159 10.541 15.192 275 3HB ALA 39 3HB ALA 39 6.179 9.059 16.179 276 H LEU 40 H LEU 40 3.758 7.299 14.514 277 HA LEU 40 HA LEU 40 2.967 8.177 11.930 278 1HB LEU 40 1HB LEU 40 2.789 5.482 13.283 279 2HB LEU 40 2HB LEU 40 2.456 5.779 11.588 280 HG LEU 40 HG LEU 40 5.129 6.466 12.811 281 1HD1 LEU 40 1HD1 LEU 40 5.755 4.344 12.971 282 2HD1 LEU 40 2HD1 LEU 40 4.063 3.869 12.688 283 3HD1 LEU 40 3HD1 LEU 40 5.192 3.997 11.318 284 1HD2 LEU 40 1HD2 LEU 40 5.838 6.024 10.400 285 2HD2 LEU 40 2HD2 LEU 40 4.104 6.060 10.001 286 3HD2 LEU 40 3HD2 LEU 40 4.884 7.493 10.712 287 H GLU 41 H GLU 41 1.317 7.294 14.973 288 HA GLU 41 HA GLU 41 -1.219 7.051 13.848 289 1HB GLU 41 1HB GLU 41 -0.214 7.625 16.655 290 2HB GLU 41 2HB GLU 41 -1.930 7.563 16.307 291 1HG GLU 41 1HG GLU 41 -0.438 5.277 15.158 292 2HG GLU 41 2HG GLU 41 -0.309 5.367 16.903 293 H SER 42 H SER 42 0.547 9.822 15.359 294 HA SER 42 HA SER 42 -1.646 11.564 15.078 295 1HB SER 42 1HB SER 42 0.858 11.594 16.372 296 2HB SER 42 2HB SER 42 0.978 12.879 15.187 297 HG SER 42 HG SER 42 -0.618 14.020 16.168 298 H ALA 43 H ALA 43 1.047 10.510 13.033 299 HA ALA 43 HA ALA 43 0.889 12.713 11.227 300 1HB ALA 43 1HB ALA 43 2.946 11.387 11.589 301 2HB ALA 43 2HB ALA 43 2.127 9.945 10.943 302 3HB ALA 43 3HB ALA 43 2.435 11.343 9.885 303 H TYR 44 H TYR 44 -0.439 9.369 11.422 304 HA TYR 44 HA TYR 44 -1.977 9.940 8.987 305 1HB TYR 44 1HB TYR 44 -1.117 7.452 10.576 306 2HB TYR 44 2HB TYR 44 -2.320 7.337 9.307 307 HD1 TYR 44 HD1 TYR 44 0.697 6.230 9.716 308 HD2 TYR 44 HD2 TYR 44 -1.155 9.222 7.283 309 HE1 TYR 44 HE1 TYR 44 2.541 5.974 7.984 310 HE2 TYR 44 HE2 TYR 44 0.695 8.956 5.560 311 HH TYR 44 HH TYR 44 2.472 6.542 5.184 312 H GLY 45 H GLY 45 -2.523 7.820 11.878 313 1HA GLY 45 1HA GLY 45 -4.273 7.645 13.279 314 2HA GLY 45 2HA GLY 45 -4.639 9.328 12.956 315 H LEU 46 H LEU 46 -5.782 9.816 10.801 316 HA LEU 46 HA LEU 46 -7.887 7.842 10.494 317 1HB LEU 46 1HB LEU 46 -7.580 10.748 10.112 318 2HB LEU 46 2HB LEU 46 -8.576 9.947 8.913 319 HG LEU 46 HG LEU 46 -9.916 10.845 10.745 320 1HD1 LEU 46 1HD1 LEU 46 -9.893 8.039 9.945 321 2HD1 LEU 46 2HD1 LEU 46 -10.674 8.297 11.524 322 3HD1 LEU 46 3HD1 LEU 46 -11.249 9.183 10.091 323 1HD2 LEU 46 1HD2 LEU 46 -8.897 8.850 12.708 324 2HD2 LEU 46 2HD2 LEU 46 -7.911 10.303 12.414 325 3HD2 LEU 46 3HD2 LEU 46 -9.596 10.468 12.963 326 H ARG 47 H ARG 47 -5.058 9.160 8.836 327 HA ARG 47 HA ARG 47 -5.902 7.942 6.372 328 1HB ARG 47 1HB ARG 47 -3.347 9.473 7.081 329 2HB ARG 47 2HB ARG 47 -3.777 8.946 5.466 330 1HG ARG 47 1HG ARG 47 -4.939 10.871 5.190 331 2HG ARG 47 2HG ARG 47 -6.067 10.331 6.418 332 1HD ARG 47 1HD ARG 47 -5.218 11.758 8.000 333 2HD ARG 47 2HD ARG 47 -3.557 11.398 7.571 334 HE ARG 47 HE ARG 47 -4.411 12.895 5.419 335 1HH1 ARG 47 2HH2 ARG 47 -4.522 13.413 8.898 336 2HH1 ARG 47 1HH2 ARG 47 -4.440 15.138 8.772 337 1HH2 ARG 47 2HH1 ARG 47 -4.302 15.171 5.253 338 2HH2 ARG 47 1HH1 ARG 47 -4.314 16.145 6.685 339 H VAL 48 H VAL 48 -5.526 6.113 8.550 340 HA VAL 48 HA VAL 48 -3.015 5.031 8.818 341 HB VAL 48 HB VAL 48 -5.808 4.195 9.206 342 1HG1 VAL 48 1HG1 VAL 48 -4.858 1.798 9.768 343 2HG1 VAL 48 2HG1 VAL 48 -5.409 2.198 8.123 344 3HG1 VAL 48 3HG1 VAL 48 -3.671 2.207 8.506 345 1HG2 VAL 48 1HG2 VAL 48 -5.083 4.667 11.268 346 2HG2 VAL 48 2HG2 VAL 48 -4.167 3.141 11.211 347 3HG2 VAL 48 3HG2 VAL 48 -3.382 4.669 10.744 348 HA PRO 49 HA PRO 49 -3.954 2.477 4.945 349 1HB PRO 49 1HB PRO 49 -6.068 3.147 3.349 350 2HB PRO 49 2HB PRO 49 -6.151 1.896 4.573 351 1HG PRO 49 1HG PRO 49 -7.279 4.627 4.636 352 2HG PRO 49 2HG PRO 49 -7.696 3.244 5.628 353 1HD PRO 49 1HD PRO 49 -6.095 5.493 6.405 354 2HD PRO 49 2HD PRO 49 -6.416 4.057 7.356 355 H VAL 50 H VAL 50 -1.999 3.879 4.829 356 HA VAL 50 HA VAL 50 -2.325 5.628 2.488 357 HB VAL 50 HB VAL 50 -0.733 5.882 5.014 358 1HG1 VAL 50 1HG1 VAL 50 0.910 6.022 3.168 359 2HG1 VAL 50 2HG1 VAL 50 -0.061 7.312 2.420 360 3HG1 VAL 50 3HG1 VAL 50 0.699 7.577 4.007 361 1HG2 VAL 50 1HG2 VAL 50 -3.044 6.995 4.394 362 2HG2 VAL 50 2HG2 VAL 50 -1.789 7.919 5.255 363 3HG2 VAL 50 3HG2 VAL 50 -2.011 8.138 3.502 364 H LEU 51 H LEU 51 -1.222 5.044 0.682 365 HA LEU 51 HA LEU 51 0.609 2.793 0.960 366 1HB LEU 51 1HB LEU 51 -1.432 3.439 -0.842 367 2HB LEU 51 2HB LEU 51 0.053 3.668 -1.745 368 HG LEU 51 HG LEU 51 -0.813 1.139 -0.318 369 1HD1 LEU 51 1HD1 LEU 51 -1.890 1.898 -2.562 370 2HD1 LEU 51 2HD1 LEU 51 -0.335 1.401 -3.273 371 3HD1 LEU 51 3HD1 LEU 51 -1.324 0.221 -2.379 372 1HD2 LEU 51 1HD2 LEU 51 1.194 0.116 -1.400 373 2HD2 LEU 51 2HD2 LEU 51 1.740 1.756 -1.824 374 3HD2 LEU 51 3HD2 LEU 51 1.567 1.290 -0.115 375 H ARG 52 H ARG 52 2.757 3.137 1.053 376 HA ARG 52 HA ARG 52 3.681 5.642 -0.108 377 1HB ARG 52 1HB ARG 52 5.535 5.571 1.547 378 2HB ARG 52 2HB ARG 52 3.982 5.533 2.358 379 1HG ARG 52 1HG ARG 52 4.264 3.369 3.110 380 2HG ARG 52 2HG ARG 52 5.085 2.852 1.650 381 1HD ARG 52 1HD ARG 52 6.627 4.833 3.244 382 2HD ARG 52 2HD ARG 52 6.323 3.331 4.094 383 HE ARG 52 HE ARG 52 7.159 2.444 1.625 384 1HH1 ARG 52 2HH2 ARG 52 8.506 4.741 3.925 385 2HH1 ARG 52 1HH2 ARG 52 10.148 4.439 3.460 386 1HH2 ARG 52 2HH1 ARG 52 9.324 2.045 1.011 387 2HH2 ARG 52 1HH1 ARG 52 10.616 2.895 1.791 388 H ASP 53 H ASP 53 6.078 5.517 -0.868 389 HA ASP 53 HA ASP 53 6.591 2.838 -1.897 390 1HB ASP 53 1HB ASP 53 6.280 5.414 -3.296 391 2HB ASP 53 2HB ASP 53 7.819 4.661 -3.666 392 HA PRO 54 HA PRO 54 10.700 3.567 -0.534 393 1HB PRO 54 1HB PRO 54 12.304 2.471 -2.456 394 2HB PRO 54 2HB PRO 54 11.461 1.516 -1.253 395 1HG PRO 54 1HG PRO 54 10.828 1.863 -4.120 396 2HG PRO 54 2HG PRO 54 10.280 0.615 -3.018 397 1HD PRO 54 1HD PRO 54 8.771 2.872 -3.941 398 2HD PRO 54 2HD PRO 54 8.265 1.689 -2.751 399 H MET 55 H MET 55 9.973 4.786 -3.679 400 HA MET 55 HA MET 55 12.277 6.265 -4.032 401 1HB MET 55 1HB MET 55 9.590 6.026 -5.180 402 2HB MET 55 2HB MET 55 10.050 7.716 -5.125 403 1HG MET 55 1HG MET 55 12.384 6.640 -6.076 404 2HG MET 55 2HG MET 55 11.243 5.474 -6.716 405 1HE MET 55 1HE MET 55 11.421 9.967 -7.674 406 2HE MET 55 2HE MET 55 11.176 9.367 -6.016 407 3HE MET 55 3HE MET 55 12.689 9.004 -6.880 408 H GLY 56 H GLY 56 9.224 6.988 -2.272 409 1HA GLY 56 1HA GLY 56 9.608 8.383 -0.268 410 2HA GLY 56 2HA GLY 56 10.474 9.493 -1.311 411 H ARG 57 H ARG 57 7.446 7.657 -2.048 412 HA ARG 57 HA ARG 57 6.019 10.171 -1.925 413 1HB ARG 57 1HB ARG 57 5.790 8.253 -4.296 414 2HB ARG 57 2HB ARG 57 4.984 9.800 -4.129 415 1HG ARG 57 1HG ARG 57 7.629 10.535 -3.768 416 2HG ARG 57 2HG ARG 57 7.799 9.206 -4.897 417 1HD ARG 57 1HD ARG 57 5.651 10.604 -5.987 418 2HD ARG 57 2HD ARG 57 6.623 11.901 -5.323 419 HE ARG 57 HE ARG 57 8.507 10.367 -6.621 420 1HH1 ARG 57 2HH2 ARG 57 5.422 11.729 -7.627 421 2HH1 ARG 57 1HH2 ARG 57 5.890 11.890 -9.287 422 1HH2 ARG 57 2HH1 ARG 57 9.124 10.580 -8.811 423 2HH2 ARG 57 1HH1 ARG 57 8.009 11.232 -9.965 424 H GLU 58 H GLU 58 3.576 9.809 -1.945 425 HA GLU 58 HA GLU 58 2.876 7.081 -1.254 426 1HB GLU 58 1HB GLU 58 1.403 8.141 0.628 427 2HB GLU 58 2HB GLU 58 3.111 7.896 0.934 428 1HG GLU 58 1HG GLU 58 2.674 10.129 1.663 429 2HG GLU 58 2HG GLU 58 3.486 10.312 0.121 430 H LEU 59 H LEU 59 0.361 6.866 -1.122 431 HA LEU 59 HA LEU 59 -0.845 8.747 -3.026 432 1HB LEU 59 1HB LEU 59 -0.193 6.592 -4.078 433 2HB LEU 59 2HB LEU 59 -1.252 5.755 -2.961 434 HG LEU 59 HG LEU 59 -3.172 7.102 -3.890 435 1HD1 LEU 59 1HD1 LEU 59 -2.544 8.938 -5.023 436 2HD1 LEU 59 2HD1 LEU 59 -0.963 8.253 -5.472 437 3HD1 LEU 59 3HD1 LEU 59 -2.417 7.817 -6.401 438 1HD2 LEU 59 1HD2 LEU 59 -1.719 4.894 -5.112 439 2HD2 LEU 59 2HD2 LEU 59 -3.465 5.116 -4.851 440 3HD2 LEU 59 3HD2 LEU 59 -2.687 5.806 -6.296 441 H ASP 60 H ASP 60 -3.071 9.228 -2.688 442 HA ASP 60 HA ASP 60 -3.806 9.439 -0.079 443 1HB ASP 60 1HB ASP 60 -4.904 10.042 -2.652 444 2HB ASP 60 2HB ASP 60 -6.161 9.189 -1.778 445 H TRP 61 H TRP 61 -5.708 8.353 1.063 446 HA TRP 61 HA TRP 61 -5.456 5.563 1.004 447 1HB TRP 61 1HB TRP 61 -6.183 6.046 3.043 448 2HB TRP 61 2HB TRP 61 -6.863 7.582 2.543 449 HD1 TRP 61 HD1 TRP 61 -9.346 7.539 3.362 450 HE1 TRP 61 HE1 TRP 61 -11.431 5.924 3.264 451 HE3 TRP 61 HE3 TRP 61 -6.894 3.651 1.187 452 HZ2 TRP 61 HZ2 TRP 61 -11.812 3.262 2.309 453 HZ3 TRP 61 HZ3 TRP 61 -8.196 1.581 0.705 454 HH2 TRP 61 HH2 TRP 61 -10.572 1.349 1.230 455 HA PRO 62 HA PRO 62 -9.571 5.766 -1.339 456 1HB PRO 62 1HB PRO 62 -10.592 8.169 -2.146 457 2HB PRO 62 2HB PRO 62 -11.075 7.372 -0.662 458 1HG PRO 62 1HG PRO 62 -9.309 9.716 -1.016 459 2HG PRO 62 2HG PRO 62 -10.135 9.173 0.431 460 1HD PRO 62 1HD PRO 62 -7.350 8.853 -0.178 461 2HD PRO 62 2HD PRO 62 -8.200 8.210 1.213 462 H PHE 63 H PHE 63 -9.087 4.739 -3.165 463 HA PHE 63 HA PHE 63 -8.360 6.417 -5.386 464 1HB PHE 63 1HB PHE 63 -6.375 4.599 -5.684 465 2HB PHE 63 2HB PHE 63 -6.112 6.052 -4.740 466 HD1 PHE 63 HD1 PHE 63 -4.529 5.332 -3.172 467 HD2 PHE 63 HD2 PHE 63 -8.065 3.056 -3.739 468 HE1 PHE 63 HE1 PHE 63 -3.946 3.929 -1.174 469 HE2 PHE 63 HE2 PHE 63 -7.482 1.653 -1.741 470 HZ PHE 63 HZ PHE 63 -5.430 2.106 -0.483 471 H ASP 64 H ASP 64 -7.824 4.778 -7.365 472 HA ASP 64 HA ASP 64 -9.895 2.737 -7.162 473 1HB ASP 64 1HB ASP 64 -8.859 4.030 -9.720 474 2HB ASP 64 2HB ASP 64 -10.299 3.047 -9.540 475 H ALA 65 H ALA 65 -9.322 1.249 -9.473 476 HA ALA 65 HA ALA 65 -6.917 -0.094 -8.686 477 1HB ALA 65 1HB ALA 65 -8.291 -1.733 -9.412 478 2HB ALA 65 2HB ALA 65 -9.306 -0.591 -10.325 479 3HB ALA 65 3HB ALA 65 -7.817 -1.238 -11.055 480 HA PRO 66 HA PRO 66 -5.608 1.637 -12.895 481 1HB PRO 66 1HB PRO 66 -7.136 3.540 -14.125 482 2HB PRO 66 2HB PRO 66 -7.240 1.833 -14.506 483 1HG PRO 66 1HG PRO 66 -9.115 3.502 -12.944 484 2HG PRO 66 2HG PRO 66 -9.394 1.940 -13.688 485 1HD PRO 66 1HD PRO 66 -8.949 2.459 -10.902 486 2HD PRO 66 2HD PRO 66 -9.113 0.889 -11.662 487 H ARG 67 H ARG 67 -6.974 3.628 -10.486 488 HA ARG 67 HA ARG 67 -5.278 5.816 -11.153 489 1HB ARG 67 1HB ARG 67 -7.659 5.585 -9.772 490 2HB ARG 67 2HB ARG 67 -6.529 5.702 -8.438 491 1HG ARG 67 1HG ARG 67 -5.899 7.879 -8.966 492 2HG ARG 67 2HG ARG 67 -6.134 7.650 -10.687 493 1HD ARG 67 1HD ARG 67 -8.722 7.335 -9.575 494 2HD ARG 67 2HD ARG 67 -8.021 8.669 -8.680 495 HE ARG 67 HE ARG 67 -7.414 9.121 -11.411 496 1HH1 ARG 67 2HH2 ARG 67 -10.269 8.915 -9.364 497 2HH1 ARG 67 1HH2 ARG 67 -11.207 9.991 -10.346 498 1HH2 ARG 67 2HH1 ARG 67 -8.651 10.540 -12.707 499 2HH2 ARG 67 1HH1 ARG 67 -10.281 10.921 -12.260 500 H LEU 68 H LEU 68 -5.305 2.997 -8.981 501 HA LEU 68 HA LEU 68 -3.138 3.971 -7.372 502 1HB LEU 68 1HB LEU 68 -4.976 2.508 -6.549 503 2HB LEU 68 2HB LEU 68 -4.350 1.210 -7.546 504 HG LEU 68 HG LEU 68 -2.164 2.136 -6.001 505 1HD1 LEU 68 1HD1 LEU 68 -4.724 2.393 -4.580 506 2HD1 LEU 68 2HD1 LEU 68 -3.515 1.391 -3.742 507 3HD1 LEU 68 3HD1 LEU 68 -3.119 3.064 -4.201 508 1HD2 LEU 68 1HD2 LEU 68 -3.878 -0.348 -5.977 509 2HD2 LEU 68 2HD2 LEU 68 -2.260 -0.111 -6.679 510 3HD2 LEU 68 3HD2 LEU 68 -2.466 -0.152 -4.912 511 H ARG 69 H ARG 69 -3.626 1.736 -10.145 512 HA ARG 69 HA ARG 69 -1.024 0.763 -10.116 513 1HB ARG 69 1HB ARG 69 -3.205 -0.034 -11.404 514 2HB ARG 69 2HB ARG 69 -2.651 1.048 -12.666 515 1HG ARG 69 1HG ARG 69 -0.486 -0.674 -11.623 516 2HG ARG 69 2HG ARG 69 -1.817 -1.601 -12.286 517 1HD ARG 69 1HD ARG 69 -1.269 0.627 -14.064 518 2HD ARG 69 2HD ARG 69 0.239 -0.195 -13.719 519 HE ARG 69 HE ARG 69 -0.547 -2.110 -14.845 520 1HH1 ARG 69 2HH2 ARG 69 -3.187 0.162 -14.348 521 2HH1 ARG 69 1HH2 ARG 69 -4.283 -0.687 -15.387 522 1HH2 ARG 69 2HH1 ARG 69 -1.992 -3.231 -16.216 523 2HH2 ARG 69 1HH1 ARG 69 -3.598 -2.630 -16.457 524 H ALA 70 H ALA 70 -2.643 3.468 -11.896 525 HA ALA 70 HA ALA 70 -0.547 4.183 -13.543 526 1HB ALA 70 1HB ALA 70 -2.985 5.461 -12.403 527 2HB ALA 70 2HB ALA 70 -1.743 6.566 -13.040 528 3HB ALA 70 3HB ALA 70 -2.452 5.320 -14.095 529 H TRP 71 H TRP 71 -1.081 4.719 -10.065 530 HA TRP 71 HA TRP 71 0.960 6.701 -9.838 531 1HB TRP 71 1HB TRP 71 -0.904 6.661 -8.302 532 2HB TRP 71 2HB TRP 71 -0.506 5.033 -7.788 533 HD1 TRP 71 HD1 TRP 71 0.999 8.618 -7.566 534 HE1 TRP 71 HE1 TRP 71 2.531 8.855 -5.431 535 HE3 TRP 71 HE3 TRP 71 0.704 3.738 -6.166 536 HZ2 TRP 71 HZ2 TRP 71 3.428 7.017 -3.441 537 HZ3 TRP 71 HZ3 TRP 71 1.938 3.042 -4.115 538 HH2 TRP 71 HH2 TRP 71 3.265 4.592 -2.769 539 H LEU 72 H LEU 72 0.635 3.136 -9.437 540 HA LEU 72 HA LEU 72 3.038 2.596 -8.232 541 1HB LEU 72 1HB LEU 72 1.140 1.139 -9.980 542 2HB LEU 72 2HB LEU 72 2.748 0.456 -9.836 543 HG LEU 72 HG LEU 72 1.037 -0.461 -8.246 544 1HD1 LEU 72 1HD1 LEU 72 2.571 -0.804 -6.531 545 2HD1 LEU 72 2HD1 LEU 72 3.600 -0.410 -7.929 546 3HD1 LEU 72 3HD1 LEU 72 3.270 0.825 -6.691 547 1HD2 LEU 72 1HD2 LEU 72 -0.307 1.007 -7.245 548 2HD2 LEU 72 2HD2 LEU 72 1.055 1.346 -6.151 549 3HD2 LEU 72 3HD2 LEU 72 0.786 2.370 -7.582 550 H ASP 73 H ASP 73 2.322 2.819 -11.785 551 HA ASP 73 HA ASP 73 4.885 2.331 -12.610 552 1HB ASP 73 1HB ASP 73 2.503 3.785 -13.743 553 2HB ASP 73 2HB ASP 73 4.035 4.004 -14.564 554 H ALA 74 H ALA 74 3.213 5.341 -11.553 555 HA ALA 74 HA ALA 74 4.953 7.264 -12.393 556 1HB ALA 74 1HB ALA 74 4.111 7.823 -9.690 557 2HB ALA 74 2HB ALA 74 3.486 8.491 -11.217 558 3HB ALA 74 3HB ALA 74 2.796 6.990 -10.554 559 H ALA 75 H ALA 75 5.450 4.712 -10.026 560 HA ALA 75 HA ALA 75 8.062 5.913 -9.409 561 1HB ALA 75 1HB ALA 75 5.992 5.502 -7.615 562 2HB ALA 75 2HB ALA 75 6.972 4.028 -7.424 563 3HB ALA 75 3HB ALA 75 7.716 5.628 -7.191 564 HA PRO 76 HA PRO 76 9.725 2.146 -10.728 565 1HB PRO 76 1HB PRO 76 11.925 1.819 -9.139 566 2HB PRO 76 2HB PRO 76 11.889 2.904 -10.514 567 1HG PRO 76 1HG PRO 76 11.777 3.559 -7.634 568 2HG PRO 76 2HG PRO 76 12.167 4.606 -8.984 569 1HD PRO 76 1HD PRO 76 9.692 4.520 -7.537 570 2HD PRO 76 2HD PRO 76 10.042 5.483 -8.959 571 H HIS 77 H HIS 77 10.496 -0.133 -10.171 572 HA HIS 77 HA HIS 77 9.887 -1.160 -7.680 573 1HB HIS 77 1HB HIS 77 7.545 -0.403 -8.718 574 2HB HIS 77 2HB HIS 77 7.666 -1.961 -9.511 575 HD1 HIS 77 HD1 HIS 77 6.034 -3.375 -8.220 576 HD2 HIS 77 HD2 HIS 77 8.618 -1.220 -5.714 577 HE1 HIS 77 HE1 HIS 77 5.566 -4.182 -5.845 578 H ALA 78 H ALA 78 10.216 -3.491 -7.616 579 HA ALA 78 HA ALA 78 10.742 -4.824 -10.114 580 1HB ALA 78 1HB ALA 78 13.025 -4.927 -10.019 581 2HB ALA 78 2HB ALA 78 12.828 -3.382 -9.157 582 3HB ALA 78 3HB ALA 78 13.060 -4.890 -8.240 Start of MODEL 9 1 1H MET 1 1H MET 1 14.251 -3.173 -4.420 2 HA MET 1 HA MET 1 13.016 -2.562 -2.250 3 1HB MET 1 1HB MET 1 12.491 -1.454 -5.050 4 2HB MET 1 2HB MET 1 11.795 -0.684 -3.639 5 1HG MET 1 1HG MET 1 13.747 0.443 -3.362 6 2HG MET 1 2HG MET 1 14.519 -1.077 -2.958 7 1HE MET 1 1HE MET 1 16.803 0.916 -5.522 8 2HE MET 1 2HE MET 1 15.971 1.228 -3.979 9 3HE MET 1 3HE MET 1 17.001 -0.212 -4.160 10 H ALA 2 H ALA 2 10.947 -2.443 -1.276 11 HA ALA 2 HA ALA 2 8.796 -3.746 -2.797 12 1HB ALA 2 1HB ALA 2 8.115 -4.656 -0.482 13 2HB ALA 2 2HB ALA 2 9.524 -5.408 -1.269 14 3HB ALA 2 3HB ALA 2 9.761 -4.223 0.038 15 H LEU 3 H LEU 3 6.581 -3.232 -1.746 16 HA LEU 3 HA LEU 3 6.556 -0.367 -1.288 17 1HB LEU 3 1HB LEU 3 4.499 -2.425 -2.035 18 2HB LEU 3 2HB LEU 3 4.017 -0.843 -1.454 19 HG LEU 3 HG LEU 3 5.974 -1.005 -3.719 20 1HD1 LEU 3 1HD1 LEU 3 4.560 -1.791 -5.259 21 2HD1 LEU 3 2HD1 LEU 3 3.645 -2.454 -3.884 22 3HD1 LEU 3 3HD1 LEU 3 3.178 -0.889 -4.592 23 1HD2 LEU 3 1HD2 LEU 3 5.371 1.144 -4.155 24 2HD2 LEU 3 2HD2 LEU 3 3.695 0.910 -3.604 25 3HD2 LEU 3 3HD2 LEU 3 5.004 1.105 -2.414 26 H THR 4 H THR 4 4.456 0.154 0.300 27 HA THR 4 HA THR 4 4.461 -1.532 2.630 28 HB THR 4 HB THR 4 5.768 1.240 2.675 29 HG1 THR 4 HG1 THR 4 6.582 -1.546 3.115 30 1HG2 THR 4 1HG2 THR 4 4.965 1.149 4.862 31 2HG2 THR 4 2HG2 THR 4 4.750 -0.617 4.812 32 3HG2 THR 4 3HG2 THR 4 6.371 0.076 5.064 33 H LEU 5 H LEU 5 2.379 -1.633 3.160 34 HA LEU 5 HA LEU 5 0.802 0.808 2.739 35 1HB LEU 5 1HB LEU 5 -0.085 -0.782 1.315 36 2HB LEU 5 2HB LEU 5 0.188 -2.104 2.433 37 HG LEU 5 HG LEU 5 -1.601 -0.779 3.896 38 1HD1 LEU 5 1HD1 LEU 5 -2.245 1.073 2.770 39 2HD1 LEU 5 2HD1 LEU 5 -1.844 0.387 1.177 40 3HD1 LEU 5 3HD1 LEU 5 -3.359 -0.075 1.989 41 1HD2 LEU 5 1HD2 LEU 5 -3.237 -2.320 3.181 42 2HD2 LEU 5 2HD2 LEU 5 -2.543 -2.426 1.545 43 3HD2 LEU 5 3HD2 LEU 5 -1.672 -3.128 2.930 44 H TYR 6 H TYR 6 0.608 1.917 4.613 45 HA TYR 6 HA TYR 6 0.935 0.669 7.131 46 1HB TYR 6 1HB TYR 6 -0.290 3.334 6.180 47 2HB TYR 6 2HB TYR 6 0.155 3.012 7.844 48 HD1 TYR 6 HD1 TYR 6 2.683 2.305 8.223 49 HD2 TYR 6 HD2 TYR 6 1.240 4.404 4.786 50 HE1 TYR 6 HE1 TYR 6 5.029 3.165 7.754 51 HE2 TYR 6 HE2 TYR 6 3.591 5.257 4.329 52 HH TYR 6 HH TYR 6 6.295 4.304 6.432 53 H GLN 7 H GLN 7 -0.525 -0.290 8.472 54 HA GLN 7 HA GLN 7 -3.211 0.497 8.508 55 1HB GLN 7 1HB GLN 7 -4.292 -1.498 7.626 56 2HB GLN 7 2HB GLN 7 -3.241 -0.838 6.389 57 1HG GLN 7 1HG GLN 7 -1.440 -2.497 7.442 58 2HG GLN 7 2HG GLN 7 -2.851 -3.320 8.077 59 1HE2 GLN 7 1HE2 GLN 7 -0.880 -4.137 6.072 60 2HE2 GLN 7 2HE2 GLN 7 -1.751 -4.538 4.630 61 H ARG 8 H ARG 8 -4.410 -0.598 10.251 62 HA ARG 8 HA ARG 8 -2.624 -2.191 11.910 63 1HB ARG 8 1HB ARG 8 -2.887 0.069 12.884 64 2HB ARG 8 2HB ARG 8 -4.633 -0.053 12.782 65 1HG ARG 8 1HG ARG 8 -4.249 -2.262 14.245 66 2HG ARG 8 2HG ARG 8 -2.738 -1.476 14.660 67 1HD ARG 8 1HD ARG 8 -4.021 -0.496 16.305 68 2HD ARG 8 2HD ARG 8 -4.422 0.635 15.029 69 HE ARG 8 HE ARG 8 -6.599 -0.210 15.013 70 1HH1 ARG 8 2HH2 ARG 8 -4.475 -2.580 16.515 71 2HH1 ARG 8 1HH2 ARG 8 -5.768 -3.639 16.971 72 1HH2 ARG 8 2HH1 ARG 8 -8.305 -1.607 15.614 73 2HH2 ARG 8 1HH1 ARG 8 -7.961 -3.082 16.454 74 H ASP 9 H ASP 9 -3.444 -4.242 12.181 75 HA ASP 9 HA ASP 9 -4.837 -5.877 12.498 76 1HB ASP 9 1HB ASP 9 -6.122 -3.730 13.797 77 2HB ASP 9 2HB ASP 9 -7.379 -4.408 12.781 78 H ASP 10 H ASP 10 -7.117 -6.798 11.556 79 HA ASP 10 HA ASP 10 -7.098 -6.018 8.783 80 1HB ASP 10 1HB ASP 10 -7.063 -8.460 9.805 81 2HB ASP 10 2HB ASP 10 -8.791 -8.230 9.986 82 H CYS 11 H CYS 11 -8.770 -4.762 7.915 83 HA CYS 11 HA CYS 11 -11.319 -4.770 9.324 84 1HB CYS 11 1HB CYS 11 -9.546 -2.675 9.658 85 2HB CYS 11 2HB CYS 11 -10.559 -2.101 8.349 86 HG CYS 11 HG CYS 11 -12.217 -1.291 9.835 87 H HIS 12 H HIS 12 -12.956 -3.427 7.801 88 HA HIS 12 HA HIS 12 -12.808 -4.720 5.274 89 1HB HIS 12 1HB HIS 12 -14.773 -2.872 6.617 90 2HB HIS 12 2HB HIS 12 -14.950 -3.290 4.924 91 HD1 HIS 12 HD1 HIS 12 -17.247 -4.443 5.758 92 HD2 HIS 12 HD2 HIS 12 -13.692 -6.268 7.032 93 HE1 HIS 12 HE1 HIS 12 -17.891 -6.777 6.565 94 H LEU 13 H LEU 13 -12.793 -1.260 6.382 95 HA LEU 13 HA LEU 13 -12.501 -0.077 3.935 96 1HB LEU 13 1HB LEU 13 -12.938 1.112 6.001 97 2HB LEU 13 2HB LEU 13 -11.342 0.717 6.608 98 HG LEU 13 HG LEU 13 -11.108 2.054 4.057 99 1HD1 LEU 13 1HD1 LEU 13 -12.079 4.179 4.511 100 2HD1 LEU 13 2HD1 LEU 13 -13.353 2.957 4.741 101 3HD1 LEU 13 3HD1 LEU 13 -12.554 3.686 6.154 102 1HD2 LEU 13 1HD2 LEU 13 -9.206 2.331 5.217 103 2HD2 LEU 13 2HD2 LEU 13 -10.040 3.747 5.899 104 3HD2 LEU 13 3HD2 LEU 13 -10.022 2.209 6.794 105 H CYS 14 H CYS 14 -10.024 -1.648 6.013 106 HA CYS 14 HA CYS 14 -7.860 -0.837 4.400 107 1HB CYS 14 1HB CYS 14 -8.204 -2.928 6.552 108 2HB CYS 14 2HB CYS 14 -6.708 -2.800 5.647 109 HG CYS 14 HG CYS 14 -7.781 0.089 6.371 110 H ASP 15 H ASP 15 -10.061 -3.683 4.562 111 HA ASP 15 HA ASP 15 -8.704 -5.339 2.867 112 1HB ASP 15 1HB ASP 15 -10.871 -5.727 4.248 113 2HB ASP 15 2HB ASP 15 -11.735 -5.028 2.892 114 H GLN 16 H GLN 16 -10.936 -2.583 2.259 115 HA GLN 16 HA GLN 16 -11.310 -3.056 -0.453 116 1HB GLN 16 1HB GLN 16 -11.776 -0.830 1.463 117 2HB GLN 16 2HB GLN 16 -11.581 -0.321 -0.203 118 1HG GLN 16 1HG GLN 16 -13.266 -2.353 -0.678 119 2HG GLN 16 2HG GLN 16 -13.700 -2.105 1.002 120 1HE2 GLN 16 1HE2 GLN 16 -14.144 0.169 1.659 121 2HE2 GLN 16 2HE2 GLN 16 -15.038 1.180 0.575 122 H ALA 17 H ALA 17 -8.715 -1.488 1.412 123 HA ALA 17 HA ALA 17 -7.537 -0.158 -0.794 124 1HB ALA 17 1HB ALA 17 -7.240 -0.251 1.999 125 2HB ALA 17 2HB ALA 17 -5.702 -0.875 1.356 126 3HB ALA 17 3HB ALA 17 -6.290 0.729 0.856 127 H VAL 18 H VAL 18 -6.861 -3.273 0.940 128 HA VAL 18 HA VAL 18 -4.696 -4.020 -0.630 129 HB VAL 18 HB VAL 18 -6.761 -5.697 0.811 130 1HG1 VAL 18 1HG1 VAL 18 -4.551 -7.203 0.935 131 2HG1 VAL 18 2HG1 VAL 18 -5.723 -7.333 -0.398 132 3HG1 VAL 18 3HG1 VAL 18 -4.231 -6.387 -0.614 133 1HG2 VAL 18 1HG2 VAL 18 -5.154 -5.716 2.662 134 2HG2 VAL 18 2HG2 VAL 18 -4.058 -4.663 1.736 135 3HG2 VAL 18 3HG2 VAL 18 -5.645 -4.052 2.262 136 H GLU 19 H GLU 19 -8.225 -4.257 -1.148 137 HA GLU 19 HA GLU 19 -8.163 -6.083 -3.209 138 1HB GLU 19 1HB GLU 19 -10.099 -4.581 -1.877 139 2HB GLU 19 2HB GLU 19 -10.191 -3.955 -3.511 140 1HG GLU 19 1HG GLU 19 -9.961 -6.897 -3.462 141 2HG GLU 19 2HG GLU 19 -11.365 -6.331 -2.578 142 H ALA 20 H ALA 20 -8.027 -2.458 -3.280 143 HA ALA 20 HA ALA 20 -7.931 -2.192 -6.041 144 1HB ALA 20 1HB ALA 20 -6.417 -0.351 -4.196 145 2HB ALA 20 2HB ALA 20 -7.451 0.042 -5.591 146 3HB ALA 20 3HB ALA 20 -8.187 -0.474 -4.054 147 H LEU 21 H LEU 21 -5.364 -2.820 -3.600 148 HA LEU 21 HA LEU 21 -3.190 -2.450 -5.297 149 1HB LEU 21 1HB LEU 21 -3.738 -3.634 -2.672 150 2HB LEU 21 2HB LEU 21 -2.396 -4.385 -3.513 151 HG LEU 21 HG LEU 21 -2.598 -1.393 -3.119 152 1HD1 LEU 21 1HD1 LEU 21 -0.783 -1.963 -1.301 153 2HD1 LEU 21 2HD1 LEU 21 -2.520 -2.004 -0.911 154 3HD1 LEU 21 3HD1 LEU 21 -1.645 -3.519 -1.240 155 1HD2 LEU 21 1HD2 LEU 21 -0.062 -2.961 -3.472 156 2HD2 LEU 21 2HD2 LEU 21 -1.060 -2.541 -4.884 157 3HD2 LEU 21 3HD2 LEU 21 -0.408 -1.255 -3.841 158 H ALA 22 H ALA 22 -4.904 -5.519 -4.365 159 HA ALA 22 HA ALA 22 -3.480 -7.185 -6.040 160 1HB ALA 22 1HB ALA 22 -6.362 -7.788 -5.742 161 2HB ALA 22 2HB ALA 22 -4.937 -8.739 -5.257 162 3HB ALA 22 3HB ALA 22 -5.524 -7.420 -4.215 163 H GLN 23 H GLN 23 -6.410 -5.172 -6.672 164 HA GLN 23 HA GLN 23 -6.957 -6.145 -9.174 165 1HB GLN 23 1HB GLN 23 -7.463 -3.541 -7.747 166 2HB GLN 23 2HB GLN 23 -7.806 -3.614 -9.464 167 1HG GLN 23 1HG GLN 23 -8.892 -6.013 -8.417 168 2HG GLN 23 2HG GLN 23 -9.293 -4.792 -7.227 169 1HE2 GLN 23 1HE2 GLN 23 -11.392 -4.498 -7.590 170 2HE2 GLN 23 2HE2 GLN 23 -12.102 -3.945 -9.070 171 H ALA 24 H ALA 24 -4.805 -3.402 -8.177 172 HA ALA 24 HA ALA 24 -4.043 -2.791 -10.836 173 1HB ALA 24 1HB ALA 24 -3.720 -0.988 -9.449 174 2HB ALA 24 2HB ALA 24 -3.274 -2.001 -8.055 175 3HB ALA 24 3HB ALA 24 -2.089 -1.693 -9.347 176 H ARG 25 H ARG 25 -3.316 -5.385 -8.697 177 HA ARG 25 HA ARG 25 -1.953 -7.057 -8.824 178 1HB ARG 25 1HB ARG 25 -1.787 -5.982 -11.614 179 2HB ARG 25 2HB ARG 25 -0.473 -7.045 -11.150 180 1HG ARG 25 1HG ARG 25 -2.947 -8.214 -10.211 181 2HG ARG 25 2HG ARG 25 -3.164 -7.759 -11.890 182 1HD ARG 25 1HD ARG 25 -0.607 -8.902 -11.894 183 2HD ARG 25 2HD ARG 25 -1.465 -9.888 -10.727 184 HE ARG 25 HE ARG 25 -2.778 -10.763 -12.458 185 1HH1 ARG 25 2HH2 ARG 25 -1.198 -7.824 -13.578 186 2HH1 ARG 25 1HH2 ARG 25 -1.706 -8.026 -15.221 187 1HH2 ARG 25 2HH1 ARG 25 -3.447 -11.029 -14.627 188 2HH2 ARG 25 1HH1 ARG 25 -2.994 -9.861 -15.822 189 H ALA 26 H ALA 26 -1.076 -4.673 -7.507 190 HA ALA 26 HA ALA 26 1.350 -3.644 -8.178 191 1HB ALA 26 1HB ALA 26 -0.163 -4.146 -5.653 192 2HB ALA 26 2HB ALA 26 1.564 -3.751 -5.483 193 3HB ALA 26 3HB ALA 26 0.473 -2.624 -6.324 194 H GLY 27 H GLY 27 0.848 -6.479 -5.946 195 1HA GLY 27 1HA GLY 27 2.223 -8.460 -6.736 196 2HA GLY 27 2HA GLY 27 3.580 -7.355 -6.644 197 H ALA 28 H ALA 28 4.764 -8.113 -4.908 198 HA ALA 28 HA ALA 28 3.304 -8.722 -2.452 199 1HB ALA 28 1HB ALA 28 5.204 -10.145 -3.714 200 2HB ALA 28 2HB ALA 28 6.260 -9.110 -2.723 201 3HB ALA 28 3HB ALA 28 5.038 -10.143 -1.942 202 H PHE 29 H PHE 29 4.065 -7.815 -0.393 203 HA PHE 29 HA PHE 29 5.894 -5.626 -0.471 204 1HB PHE 29 1HB PHE 29 4.068 -4.002 0.319 205 2HB PHE 29 2HB PHE 29 3.889 -4.494 -1.353 206 HD1 PHE 29 HD1 PHE 29 1.802 -5.169 -2.062 207 HD2 PHE 29 HD2 PHE 29 2.774 -5.563 2.049 208 HE1 PHE 29 HE1 PHE 29 -0.537 -5.945 -1.584 209 HE2 PHE 29 HE2 PHE 29 0.436 -6.339 2.528 210 HZ PHE 29 HZ PHE 29 -1.192 -6.521 0.706 211 H PHE 30 H PHE 30 5.479 -4.344 1.848 212 HA PHE 30 HA PHE 30 5.237 -6.523 3.802 213 1HB PHE 30 1HB PHE 30 6.927 -3.953 3.694 214 2HB PHE 30 2HB PHE 30 6.868 -4.995 5.102 215 HD1 PHE 30 HD1 PHE 30 9.106 -4.132 2.911 216 HD2 PHE 30 HD2 PHE 30 6.975 -7.675 3.865 217 HE1 PHE 30 HE1 PHE 30 10.978 -5.512 1.968 218 HE2 PHE 30 HE2 PHE 30 8.847 -9.055 2.922 219 HZ PHE 30 HZ PHE 30 10.826 -7.957 1.984 220 H SER 31 H SER 31 4.038 -6.160 5.691 221 HA SER 31 HA SER 31 2.324 -3.846 5.518 222 1HB SER 31 1HB SER 31 1.013 -5.746 5.888 223 2HB SER 31 2HB SER 31 2.212 -6.513 6.909 224 HG SER 31 HG SER 31 1.104 -5.764 8.570 225 H VAL 32 H VAL 32 2.086 -2.314 7.255 226 HA VAL 32 HA VAL 32 4.017 -2.580 9.434 227 HB VAL 32 HB VAL 32 3.718 -0.253 7.535 228 1HG1 VAL 32 1HG1 VAL 32 4.803 -0.345 10.340 229 2HG1 VAL 32 2HG1 VAL 32 5.528 0.751 9.140 230 3HG1 VAL 32 3HG1 VAL 32 3.802 0.896 9.549 231 1HG2 VAL 32 1HG2 VAL 32 5.984 -0.586 6.994 232 2HG2 VAL 32 2HG2 VAL 32 6.267 -1.619 8.415 233 3HG2 VAL 32 3HG2 VAL 32 5.296 -2.226 7.053 234 H PHE 33 H PHE 33 3.104 -2.153 11.390 235 HA PHE 33 HA PHE 33 0.377 -1.137 11.331 236 1HB PHE 33 1HB PHE 33 2.037 -2.215 13.674 237 2HB PHE 33 2HB PHE 33 0.289 -2.177 13.558 238 HD1 PHE 33 HD1 PHE 33 3.327 -3.907 12.456 239 HD2 PHE 33 HD2 PHE 33 -0.914 -3.869 12.322 240 HE1 PHE 33 HE1 PHE 33 3.335 -6.251 11.561 241 HE2 PHE 33 HE2 PHE 33 -0.907 -6.214 11.426 242 HZ PHE 33 HZ PHE 33 1.218 -7.377 11.056 243 H ILE 34 H ILE 34 -0.004 0.983 11.746 244 HA ILE 34 HA ILE 34 2.066 2.670 12.673 245 HB ILE 34 HB ILE 34 0.482 4.421 12.464 246 1HG1 ILE 34 1HG1 ILE 34 -1.861 2.675 11.912 247 2HG1 ILE 34 2HG1 ILE 34 -1.354 2.785 13.586 248 1HG2 ILE 34 1HG2 ILE 34 0.107 4.305 10.208 249 2HG2 ILE 34 2HG2 ILE 34 1.294 2.993 10.404 250 3HG2 ILE 34 3HG2 ILE 34 -0.440 2.613 10.266 251 1HD1 ILE 34 1HD1 ILE 34 -3.019 4.541 13.034 252 2HD1 ILE 34 2HD1 ILE 34 -1.456 5.264 13.481 253 3HD1 ILE 34 3HD1 ILE 34 -1.936 5.170 11.769 254 H ASP 35 H ASP 35 -0.143 0.534 14.244 255 HA ASP 35 HA ASP 35 -0.808 1.843 16.508 256 1HB ASP 35 1HB ASP 35 -1.188 -0.288 17.459 257 2HB ASP 35 2HB ASP 35 -1.302 -0.591 15.737 258 H ASP 36 H ASP 36 0.219 1.261 18.821 259 HA ASP 36 HA ASP 36 1.845 1.740 20.190 260 1HB ASP 36 1HB ASP 36 3.067 -0.295 18.319 261 2HB ASP 36 2HB ASP 36 4.093 0.425 19.544 262 H ASP 37 H ASP 37 1.547 3.743 18.182 263 HA ASP 37 HA ASP 37 4.091 4.938 18.311 264 1HB ASP 37 1HB ASP 37 3.809 3.302 16.111 265 2HB ASP 37 2HB ASP 37 3.179 4.805 15.467 266 H ALA 38 H ALA 38 3.012 6.760 19.212 267 HA ALA 38 HA ALA 38 0.552 7.715 18.200 268 1HB ALA 38 1HB ALA 38 1.509 9.793 19.630 269 2HB ALA 38 2HB ALA 38 0.828 8.334 20.391 270 3HB ALA 38 3HB ALA 38 2.592 8.514 20.232 271 H ALA 39 H ALA 39 4.000 8.385 17.546 272 HA ALA 39 HA ALA 39 3.714 10.804 16.226 273 1HB ALA 39 1HB ALA 39 5.667 8.496 15.909 274 2HB ALA 39 2HB ALA 39 5.861 10.064 15.088 275 3HB ALA 39 3HB ALA 39 5.880 9.982 16.866 276 H LEU 40 H LEU 40 3.599 7.408 14.954 277 HA LEU 40 HA LEU 40 3.087 8.218 12.305 278 1HB LEU 40 1HB LEU 40 2.605 5.597 13.729 279 2HB LEU 40 2HB LEU 40 2.459 5.835 11.999 280 HG LEU 40 HG LEU 40 5.008 6.245 13.588 281 1HD1 LEU 40 1HD1 LEU 40 4.466 3.916 13.653 282 2HD1 LEU 40 2HD1 LEU 40 4.075 3.899 11.917 283 3HD1 LEU 40 3HD1 LEU 40 5.756 4.147 12.448 284 1HD2 LEU 40 1HD2 LEU 40 5.726 5.881 10.967 285 2HD2 LEU 40 2HD2 LEU 40 4.236 6.843 10.819 286 3HD2 LEU 40 3HD2 LEU 40 5.594 7.450 11.797 287 H GLU 41 H GLU 41 1.026 7.441 15.137 288 HA GLU 41 HA GLU 41 -1.363 7.319 13.752 289 1HB GLU 41 1HB GLU 41 -0.620 7.949 16.620 290 2HB GLU 41 2HB GLU 41 -2.292 8.055 16.106 291 1HG GLU 41 1HG GLU 41 -0.781 5.571 15.331 292 2HG GLU 41 2HG GLU 41 -1.194 5.754 17.024 293 H SER 42 H SER 42 0.352 10.086 15.333 294 HA SER 42 HA SER 42 -1.689 11.914 14.738 295 1HB SER 42 1HB SER 42 0.690 11.898 16.241 296 2HB SER 42 2HB SER 42 0.992 13.091 14.994 297 HG SER 42 HG SER 42 -1.461 13.097 16.511 298 H ALA 43 H ALA 43 1.132 10.633 13.006 299 HA ALA 43 HA ALA 43 1.225 12.718 11.066 300 1HB ALA 43 1HB ALA 43 2.622 10.207 11.713 301 2HB ALA 43 2HB ALA 43 2.459 10.493 9.963 302 3HB ALA 43 3HB ALA 43 3.249 11.710 10.994 303 H TYR 44 H TYR 44 -0.212 9.410 11.280 304 HA TYR 44 HA TYR 44 -1.607 9.983 8.757 305 1HB TYR 44 1HB TYR 44 -0.830 7.460 10.340 306 2HB TYR 44 2HB TYR 44 -1.906 7.384 8.959 307 HD1 TYR 44 HD1 TYR 44 -0.736 9.065 6.941 308 HD2 TYR 44 HD2 TYR 44 1.234 6.559 9.794 309 HE1 TYR 44 HE1 TYR 44 1.272 8.870 5.394 310 HE2 TYR 44 HE2 TYR 44 3.236 6.373 8.238 311 HH TYR 44 HH TYR 44 4.032 6.820 6.274 312 H GLY 45 H GLY 45 -2.211 7.872 11.651 313 1HA GLY 45 1HA GLY 45 -4.053 7.570 12.900 314 2HA GLY 45 2HA GLY 45 -4.371 9.280 12.685 315 H LEU 46 H LEU 46 -5.711 10.013 10.886 316 HA LEU 46 HA LEU 46 -7.786 8.159 10.304 317 1HB LEU 46 1HB LEU 46 -7.267 11.023 10.044 318 2HB LEU 46 2HB LEU 46 -8.166 10.369 8.689 319 HG LEU 46 HG LEU 46 -9.674 11.244 10.372 320 1HD1 LEU 46 1HD1 LEU 46 -9.881 8.783 9.159 321 2HD1 LEU 46 2HD1 LEU 46 -10.239 8.411 10.862 322 3HD1 LEU 46 3HD1 LEU 46 -11.190 9.645 10.003 323 1HD2 LEU 46 1HD2 LEU 46 -9.232 9.231 12.441 324 2HD2 LEU 46 2HD2 LEU 46 -7.837 10.314 12.220 325 3HD2 LEU 46 3HD2 LEU 46 -9.443 10.994 12.575 326 H ARG 47 H ARG 47 -4.916 9.445 8.610 327 HA ARG 47 HA ARG 47 -5.762 8.144 6.194 328 1HB ARG 47 1HB ARG 47 -3.227 9.721 6.869 329 2HB ARG 47 2HB ARG 47 -3.611 9.112 5.271 330 1HG ARG 47 1HG ARG 47 -4.803 10.997 4.876 331 2HG ARG 47 2HG ARG 47 -5.943 10.504 6.112 332 1HD ARG 47 1HD ARG 47 -4.986 11.873 7.751 333 2HD ARG 47 2HD ARG 47 -3.383 11.785 7.048 334 HE ARG 47 HE ARG 47 -3.885 13.653 5.735 335 1HH1 ARG 47 2HH2 ARG 47 -6.887 12.239 6.907 336 2HH1 ARG 47 1HH2 ARG 47 -7.878 13.523 6.299 337 1HH2 ARG 47 2HH1 ARG 47 -5.193 15.347 4.932 338 2HH2 ARG 47 1HH1 ARG 47 -6.908 15.302 5.168 339 H VAL 48 H VAL 48 -5.322 6.416 8.484 340 HA VAL 48 HA VAL 48 -2.816 5.332 8.715 341 HB VAL 48 HB VAL 48 -5.588 4.554 9.250 342 1HG1 VAL 48 1HG1 VAL 48 -3.527 2.460 8.569 343 2HG1 VAL 48 2HG1 VAL 48 -4.797 2.138 9.774 344 3HG1 VAL 48 3HG1 VAL 48 -5.242 2.549 8.100 345 1HG2 VAL 48 1HG2 VAL 48 -3.191 3.754 10.878 346 2HG2 VAL 48 2HG2 VAL 48 -3.672 5.466 10.794 347 3HG2 VAL 48 3HG2 VAL 48 -4.816 4.250 11.411 348 HA PRO 49 HA PRO 49 -3.854 2.608 4.988 349 1HB PRO 49 1HB PRO 49 -6.035 3.176 3.442 350 2HB PRO 49 2HB PRO 49 -6.053 1.980 4.723 351 1HG PRO 49 1HG PRO 49 -7.222 4.695 4.705 352 2HG PRO 49 2HG PRO 49 -7.581 3.353 5.773 353 1HD PRO 49 1HD PRO 49 -5.988 5.657 6.389 354 2HD PRO 49 2HD PRO 49 -6.252 4.261 7.414 355 H VAL 50 H VAL 50 -1.927 4.034 4.739 356 HA VAL 50 HA VAL 50 -2.367 5.682 2.345 357 HB VAL 50 HB VAL 50 -0.686 6.041 4.794 358 1HG1 VAL 50 1HG1 VAL 50 1.101 6.357 3.403 359 2HG1 VAL 50 2HG1 VAL 50 0.084 6.772 2.003 360 3HG1 VAL 50 3HG1 VAL 50 0.372 7.976 3.282 361 1HG2 VAL 50 1HG2 VAL 50 -1.723 8.094 4.970 362 2HG2 VAL 50 2HG2 VAL 50 -1.990 8.235 3.216 363 3HG2 VAL 50 3HG2 VAL 50 -3.006 7.142 4.185 364 H LEU 51 H LEU 51 -1.364 5.015 0.512 365 HA LEU 51 HA LEU 51 0.426 2.745 0.754 366 1HB LEU 51 1HB LEU 51 -1.565 2.906 -0.827 367 2HB LEU 51 2HB LEU 51 -0.607 4.034 -1.765 368 HG LEU 51 HG LEU 51 0.599 2.408 -2.718 369 1HD1 LEU 51 1HD1 LEU 51 1.623 0.521 -1.531 370 2HD1 LEU 51 2HD1 LEU 51 1.944 2.070 -0.716 371 3HD1 LEU 51 3HD1 LEU 51 0.720 0.956 -0.060 372 1HD2 LEU 51 1HD2 LEU 51 -0.541 0.013 -2.298 373 2HD2 LEU 51 2HD2 LEU 51 -1.822 1.064 -1.649 374 3HD2 LEU 51 3HD2 LEU 51 -1.262 1.275 -3.325 375 H ARG 52 H ARG 52 2.564 3.078 1.004 376 HA ARG 52 HA ARG 52 3.611 5.520 -0.181 377 1HB ARG 52 1HB ARG 52 5.414 5.402 1.509 378 2HB ARG 52 2HB ARG 52 3.851 5.366 2.301 379 1HG ARG 52 1HG ARG 52 4.122 3.205 3.046 380 2HG ARG 52 2HG ARG 52 4.899 2.679 1.566 381 1HD ARG 52 1HD ARG 52 6.481 4.600 3.232 382 2HD ARG 52 2HD ARG 52 6.226 3.020 3.944 383 HE ARG 52 HE ARG 52 7.102 2.937 1.139 384 1HH1 ARG 52 2HH2 ARG 52 8.123 2.986 4.505 385 2HH1 ARG 52 1HH2 ARG 52 9.674 2.287 4.178 386 1HH2 ARG 52 2HH1 ARG 52 9.148 2.015 0.706 387 2HH2 ARG 52 1HH1 ARG 52 10.260 1.731 2.003 388 H ASP 53 H ASP 53 6.058 5.281 -0.831 389 HA ASP 53 HA ASP 53 6.489 2.591 -1.859 390 1HB ASP 53 1HB ASP 53 7.736 4.065 -3.758 391 2HB ASP 53 2HB ASP 53 6.062 3.567 -3.899 392 HA PRO 54 HA PRO 54 10.570 3.254 -0.393 393 1HB PRO 54 1HB PRO 54 12.148 1.885 -2.155 394 2HB PRO 54 2HB PRO 54 11.231 1.103 -0.883 395 1HG PRO 54 1HG PRO 54 10.673 1.189 -3.784 396 2HG PRO 54 2HG PRO 54 10.037 0.090 -2.576 397 1HD PRO 54 1HD PRO 54 8.671 2.318 -3.759 398 2HD PRO 54 2HD PRO 54 8.079 1.291 -2.469 399 H MET 55 H MET 55 9.800 4.365 -3.514 400 HA MET 55 HA MET 55 12.244 5.619 -4.028 401 1HB MET 55 1HB MET 55 9.373 5.925 -5.004 402 2HB MET 55 2HB MET 55 10.588 7.067 -5.543 403 1HG MET 55 1HG MET 55 10.801 4.031 -5.846 404 2HG MET 55 2HG MET 55 10.312 5.128 -7.121 405 1HE MET 55 1HE MET 55 11.741 7.233 -7.770 406 2HE MET 55 2HE MET 55 13.407 6.871 -8.281 407 3HE MET 55 3HE MET 55 12.058 5.870 -8.870 408 H GLY 56 H GLY 56 9.202 6.670 -2.407 409 1HA GLY 56 1HA GLY 56 9.649 8.202 -0.510 410 2HA GLY 56 2HA GLY 56 10.583 9.171 -1.633 411 H ARG 57 H ARG 57 7.377 7.473 -1.922 412 HA ARG 57 HA ARG 57 6.166 10.073 -2.245 413 1HB ARG 57 1HB ARG 57 5.551 7.823 -4.211 414 2HB ARG 57 2HB ARG 57 5.068 9.504 -4.329 415 1HG ARG 57 1HG ARG 57 7.787 9.816 -4.207 416 2HG ARG 57 2HG ARG 57 7.706 8.236 -4.961 417 1HD ARG 57 1HD ARG 57 6.845 9.068 -6.928 418 2HD ARG 57 2HD ARG 57 5.801 10.213 -6.109 419 HE ARG 57 HE ARG 57 8.316 10.837 -7.259 420 1HH1 ARG 57 2HH2 ARG 57 6.616 11.375 -4.226 421 2HH1 ARG 57 1HH2 ARG 57 7.435 12.861 -3.882 422 1HH2 ARG 57 2HH1 ARG 57 9.398 12.798 -6.806 423 2HH2 ARG 57 1HH1 ARG 57 9.029 13.677 -5.360 424 H GLU 58 H GLU 58 3.700 9.913 -2.121 425 HA GLU 58 HA GLU 58 2.859 7.428 -0.875 426 1HB GLU 58 1HB GLU 58 2.568 10.227 0.276 427 2HB GLU 58 2HB GLU 58 1.514 8.918 0.771 428 1HG GLU 58 1HG GLU 58 3.906 7.651 1.047 429 2HG GLU 58 2HG GLU 58 4.448 9.299 1.291 430 H LEU 59 H LEU 59 0.382 7.291 -0.749 431 HA LEU 59 HA LEU 59 -0.873 8.952 -2.803 432 1HB LEU 59 1HB LEU 59 -0.110 6.851 -3.836 433 2HB LEU 59 2HB LEU 59 -1.043 5.939 -2.666 434 HG LEU 59 HG LEU 59 -3.114 7.098 -3.549 435 1HD1 LEU 59 1HD1 LEU 59 -3.112 8.398 -5.448 436 2HD1 LEU 59 2HD1 LEU 59 -1.599 8.917 -4.668 437 3HD1 LEU 59 3HD1 LEU 59 -1.551 7.761 -6.021 438 1HD2 LEU 59 1HD2 LEU 59 -2.002 5.636 -5.870 439 2HD2 LEU 59 2HD2 LEU 59 -1.920 4.793 -4.304 440 3HD2 LEU 59 3HD2 LEU 59 -3.488 5.356 -4.930 441 H ASP 60 H ASP 60 -3.112 9.333 -2.474 442 HA ASP 60 HA ASP 60 -3.866 9.502 0.147 443 1HB ASP 60 1HB ASP 60 -4.931 10.168 -2.408 444 2HB ASP 60 2HB ASP 60 -6.178 9.218 -1.625 445 H TRP 61 H TRP 61 -5.841 8.371 1.182 446 HA TRP 61 HA TRP 61 -5.494 5.576 1.084 447 1HB TRP 61 1HB TRP 61 -6.246 5.996 3.128 448 2HB TRP 61 2HB TRP 61 -6.956 7.529 2.659 449 HD1 TRP 61 HD1 TRP 61 -9.445 7.416 3.446 450 HE1 TRP 61 HE1 TRP 61 -11.493 5.758 3.294 451 HE3 TRP 61 HE3 TRP 61 -6.886 3.628 1.220 452 HZ2 TRP 61 HZ2 TRP 61 -11.805 3.108 2.282 453 HZ3 TRP 61 HZ3 TRP 61 -8.137 1.539 0.683 454 HH2 TRP 61 HH2 TRP 61 -10.513 1.245 1.178 455 HA PRO 62 HA PRO 62 -9.590 5.773 -1.296 456 1HB PRO 62 1HB PRO 62 -10.629 8.180 -2.068 457 2HB PRO 62 2HB PRO 62 -11.120 7.349 -0.606 458 1HG PRO 62 1HG PRO 62 -9.377 9.719 -0.895 459 2HG PRO 62 2HG PRO 62 -10.213 9.139 0.532 460 1HD PRO 62 1HD PRO 62 -7.418 8.862 -0.050 461 2HD PRO 62 2HD PRO 62 -8.276 8.182 1.318 462 H PHE 63 H PHE 63 -9.074 4.787 -3.136 463 HA PHE 63 HA PHE 63 -8.300 6.530 -5.300 464 1HB PHE 63 1HB PHE 63 -6.370 4.648 -5.627 465 2HB PHE 63 2HB PHE 63 -6.072 6.077 -4.657 466 HD1 PHE 63 HD1 PHE 63 -8.038 3.022 -3.823 467 HD2 PHE 63 HD2 PHE 63 -4.617 5.388 -2.986 468 HE1 PHE 63 HE1 PHE 63 -7.519 1.570 -1.843 469 HE2 PHE 63 HE2 PHE 63 -4.097 3.936 -1.005 470 HZ PHE 63 HZ PHE 63 -5.555 2.045 -0.457 471 H ASP 64 H ASP 64 -7.552 4.697 -7.207 472 HA ASP 64 HA ASP 64 -9.743 2.775 -7.135 473 1HB ASP 64 1HB ASP 64 -8.704 4.155 -9.646 474 2HB ASP 64 2HB ASP 64 -10.142 3.164 -9.504 475 H ALA 65 H ALA 65 -9.177 1.349 -9.477 476 HA ALA 65 HA ALA 65 -6.774 -0.018 -8.739 477 1HB ALA 65 1HB ALA 65 -8.111 -1.643 -9.548 478 2HB ALA 65 2HB ALA 65 -9.170 -0.466 -10.360 479 3HB ALA 65 3HB ALA 65 -7.696 -1.044 -11.172 480 HA PRO 66 HA PRO 66 -5.443 1.856 -12.879 481 1HB PRO 66 1HB PRO 66 -6.962 3.803 -14.050 482 2HB PRO 66 2HB PRO 66 -7.069 2.110 -14.490 483 1HG PRO 66 1HG PRO 66 -8.947 3.728 -12.879 484 2HG PRO 66 2HG PRO 66 -9.226 2.193 -13.677 485 1HD PRO 66 1HD PRO 66 -8.792 2.615 -10.874 486 2HD PRO 66 2HD PRO 66 -8.955 1.072 -11.688 487 H ARG 67 H ARG 67 -6.833 3.782 -10.424 488 HA ARG 67 HA ARG 67 -5.113 5.976 -11.003 489 1HB ARG 67 1HB ARG 67 -7.515 5.722 -9.664 490 2HB ARG 67 2HB ARG 67 -6.405 5.792 -8.311 491 1HG ARG 67 1HG ARG 67 -5.753 7.979 -8.765 492 2HG ARG 67 2HG ARG 67 -5.963 7.802 -10.496 493 1HD ARG 67 1HD ARG 67 -8.561 7.473 -9.324 494 2HD ARG 67 2HD ARG 67 -7.835 8.864 -8.543 495 HE ARG 67 HE ARG 67 -8.744 8.728 -11.281 496 1HH1 ARG 67 2HH2 ARG 67 -6.236 10.152 -9.266 497 2HH1 ARG 67 1HH2 ARG 67 -5.979 11.503 -10.318 498 1HH2 ARG 67 2HH1 ARG 67 -8.406 10.511 -12.670 499 2HH2 ARG 67 1HH1 ARG 67 -7.222 11.709 -12.267 500 H LEU 68 H LEU 68 -5.211 3.115 -8.878 501 HA LEU 68 HA LEU 68 -3.038 4.027 -7.240 502 1HB LEU 68 1HB LEU 68 -4.932 2.580 -6.475 503 2HB LEU 68 2HB LEU 68 -4.272 1.280 -7.447 504 HG LEU 68 HG LEU 68 -2.164 2.273 -5.796 505 1HD1 LEU 68 1HD1 LEU 68 -4.808 2.305 -4.498 506 2HD1 LEU 68 2HD1 LEU 68 -3.561 1.374 -3.634 507 3HD1 LEU 68 3HD1 LEU 68 -3.280 3.087 -4.029 508 1HD2 LEU 68 1HD2 LEU 68 -3.635 -0.305 -5.314 509 2HD2 LEU 68 2HD2 LEU 68 -2.692 -0.058 -6.803 510 3HD2 LEU 68 3HD2 LEU 68 -1.893 0.045 -5.215 511 H ARG 69 H ARG 69 -3.549 1.871 -10.065 512 HA ARG 69 HA ARG 69 -0.971 0.824 -10.019 513 1HB ARG 69 1HB ARG 69 -2.785 -0.266 -11.272 514 2HB ARG 69 2HB ARG 69 -2.999 1.148 -12.284 515 1HG ARG 69 1HG ARG 69 -1.698 -0.281 -13.645 516 2HG ARG 69 2HG ARG 69 -0.504 0.813 -12.974 517 1HD ARG 69 1HD ARG 69 0.134 -0.837 -11.264 518 2HD ARG 69 2HD ARG 69 -1.171 -1.904 -11.743 519 HE ARG 69 HE ARG 69 1.405 -1.652 -13.045 520 1HH1 ARG 69 2HH2 ARG 69 -1.993 -2.308 -13.686 521 2HH1 ARG 69 1HH2 ARG 69 -1.676 -3.232 -15.116 522 1HH2 ARG 69 2HH1 ARG 69 1.823 -2.871 -14.932 523 2HH2 ARG 69 1HH1 ARG 69 0.508 -3.554 -15.830 524 H ALA 70 H ALA 70 -2.514 3.541 -11.866 525 HA ALA 70 HA ALA 70 -0.343 4.239 -13.418 526 1HB ALA 70 1HB ALA 70 -1.525 6.612 -13.107 527 2HB ALA 70 2HB ALA 70 -2.304 5.301 -14.025 528 3HB ALA 70 3HB ALA 70 -2.784 5.615 -12.340 529 H TRP 71 H TRP 71 -1.054 4.838 -9.977 530 HA TRP 71 HA TRP 71 0.976 6.815 -9.674 531 1HB TRP 71 1HB TRP 71 -0.947 6.796 -8.222 532 2HB TRP 71 2HB TRP 71 -0.592 5.165 -7.687 533 HD1 TRP 71 HD1 TRP 71 0.819 8.761 -7.319 534 HE1 TRP 71 HE1 TRP 71 2.292 8.975 -5.141 535 HE3 TRP 71 HE3 TRP 71 0.692 3.823 -6.114 536 HZ2 TRP 71 HZ2 TRP 71 3.218 7.098 -3.201 537 HZ3 TRP 71 HZ3 TRP 71 1.906 3.097 -4.062 538 HH2 TRP 71 HH2 TRP 71 3.139 4.644 -2.626 539 H LEU 72 H LEU 72 0.658 3.253 -9.344 540 HA LEU 72 HA LEU 72 3.085 2.808 -8.041 541 1HB LEU 72 1HB LEU 72 1.295 1.132 -9.779 542 2HB LEU 72 2HB LEU 72 2.810 0.503 -9.164 543 HG LEU 72 HG LEU 72 0.923 1.732 -7.200 544 1HD1 LEU 72 1HD1 LEU 72 -0.779 0.484 -7.993 545 2HD1 LEU 72 2HD1 LEU 72 0.297 -0.632 -8.868 546 3HD1 LEU 72 3HD1 LEU 72 0.051 -0.823 -7.115 547 1HD2 LEU 72 1HD2 LEU 72 2.896 1.014 -6.202 548 2HD2 LEU 72 2HD2 LEU 72 1.777 -0.339 -5.909 549 3HD2 LEU 72 3HD2 LEU 72 2.992 -0.453 -7.205 550 H ASP 73 H ASP 73 2.214 3.066 -11.531 551 HA ASP 73 HA ASP 73 4.841 2.449 -12.350 552 1HB ASP 73 1HB ASP 73 2.254 3.015 -13.560 553 2HB ASP 73 2HB ASP 73 3.486 3.958 -14.374 554 H ALA 74 H ALA 74 3.438 5.130 -10.821 555 HA ALA 74 HA ALA 74 4.953 7.138 -12.273 556 1HB ALA 74 1HB ALA 74 3.376 8.542 -11.483 557 2HB ALA 74 2HB ALA 74 2.515 7.096 -10.902 558 3HB ALA 74 3HB ALA 74 3.610 7.979 -9.811 559 H ALA 75 H ALA 75 5.231 4.987 -9.540 560 HA ALA 75 HA ALA 75 6.758 6.403 -7.773 561 1HB ALA 75 1HB ALA 75 6.833 4.375 -6.802 562 2HB ALA 75 2HB ALA 75 6.006 3.726 -8.239 563 3HB ALA 75 3HB ALA 75 7.784 3.706 -8.150 564 HA PRO 76 HA PRO 76 10.554 5.427 -10.414 565 1HB PRO 76 1HB PRO 76 10.280 4.252 -12.866 566 2HB PRO 76 2HB PRO 76 10.632 3.351 -11.405 567 1HG PRO 76 1HG PRO 76 8.085 3.548 -12.894 568 2HG PRO 76 2HG PRO 76 8.576 2.351 -11.711 569 1HD PRO 76 1HD PRO 76 6.776 4.545 -11.289 570 2HD PRO 76 2HD PRO 76 7.357 3.418 -10.079 571 H HIS 77 H HIS 77 11.756 6.379 -12.342 572 HA HIS 77 HA HIS 77 11.860 7.891 -13.987 573 1HB HIS 77 1HB HIS 77 9.359 7.291 -14.401 574 2HB HIS 77 2HB HIS 77 9.017 8.784 -13.550 575 HD1 HIS 77 HD1 HIS 77 9.253 10.958 -14.844 576 HD2 HIS 77 HD2 HIS 77 10.888 7.665 -16.865 577 HE1 HIS 77 HE1 HIS 77 9.841 11.777 -17.188 578 H ALA 78 H ALA 78 9.959 8.737 -11.040 579 HA ALA 78 HA ALA 78 10.323 11.366 -10.801 580 1HB ALA 78 1HB ALA 78 9.228 9.897 -9.141 581 2HB ALA 78 2HB ALA 78 10.821 9.293 -8.626 582 3HB ALA 78 3HB ALA 78 10.389 11.000 -8.364 Start of MODEL 10 1 1H MET 1 1H MET 1 10.871 -1.227 -4.319 2 HA MET 1 HA MET 1 10.038 -2.434 -6.736 3 1HB MET 1 1HB MET 1 12.347 -3.524 -5.381 4 2HB MET 1 2HB MET 1 11.026 -4.643 -5.109 5 1HG MET 1 1HG MET 1 10.694 -5.019 -7.446 6 2HG MET 1 2HG MET 1 11.561 -3.565 -7.900 7 1HE MET 1 1HE MET 1 13.377 -4.974 -9.644 8 2HE MET 1 2HE MET 1 13.587 -3.474 -8.708 9 3HE MET 1 3HE MET 1 14.873 -4.704 -8.719 10 H ALA 2 H ALA 2 10.328 -2.644 -3.145 11 HA ALA 2 HA ALA 2 7.670 -3.852 -3.047 12 1HB ALA 2 1HB ALA 2 9.923 -3.503 -1.040 13 2HB ALA 2 2HB ALA 2 8.304 -4.083 -0.582 14 3HB ALA 2 3HB ALA 2 9.292 -5.017 -1.731 15 H LEU 3 H LEU 3 6.133 -2.955 -1.364 16 HA LEU 3 HA LEU 3 6.481 -0.048 -1.135 17 1HB LEU 3 1HB LEU 3 3.984 -1.584 -1.861 18 2HB LEU 3 2HB LEU 3 4.009 0.113 -1.423 19 HG LEU 3 HG LEU 3 5.913 -0.452 -3.552 20 1HD1 LEU 3 1HD1 LEU 3 3.232 -1.666 -3.759 21 2HD1 LEU 3 2HD1 LEU 3 3.717 -0.654 -5.141 22 3HD1 LEU 3 3HD1 LEU 3 4.736 -2.025 -4.641 23 1HD2 LEU 3 1HD2 LEU 3 5.250 1.572 -4.316 24 2HD2 LEU 3 2HD2 LEU 3 3.528 1.261 -3.993 25 3HD2 LEU 3 3HD2 LEU 3 4.614 1.720 -2.660 26 H THR 4 H THR 4 4.424 0.626 0.501 27 HA THR 4 HA THR 4 4.361 -1.257 2.715 28 HB THR 4 HB THR 4 5.455 1.585 3.034 29 HG1 THR 4 HG1 THR 4 6.693 -1.079 3.014 30 1HG2 THR 4 1HG2 THR 4 4.759 -0.654 4.868 31 2HG2 THR 4 2HG2 THR 4 6.417 -0.042 5.075 32 3HG2 THR 4 3HG2 THR 4 5.032 1.065 5.240 33 H LEU 5 H LEU 5 2.263 -1.464 3.151 34 HA LEU 5 HA LEU 5 0.626 0.959 2.890 35 1HB LEU 5 1HB LEU 5 -0.211 -0.547 1.356 36 2HB LEU 5 2HB LEU 5 0.107 -1.939 2.372 37 HG LEU 5 HG LEU 5 -1.730 -0.838 3.926 38 1HD1 LEU 5 1HD1 LEU 5 -2.910 0.054 1.331 39 2HD1 LEU 5 2HD1 LEU 5 -3.237 0.602 2.993 40 3HD1 LEU 5 3HD1 LEU 5 -1.758 1.131 2.156 41 1HD2 LEU 5 1HD2 LEU 5 -2.679 -2.762 3.368 42 2HD2 LEU 5 2HD2 LEU 5 -3.297 -2.009 1.878 43 3HD2 LEU 5 3HD2 LEU 5 -1.720 -2.836 1.870 44 H TYR 6 H TYR 6 0.520 1.932 4.857 45 HA TYR 6 HA TYR 6 0.832 0.558 7.279 46 1HB TYR 6 1HB TYR 6 -0.482 3.208 6.417 47 2HB TYR 6 2HB TYR 6 -0.181 2.815 8.098 48 HD1 TYR 6 HD1 TYR 6 1.262 4.035 5.003 49 HD2 TYR 6 HD2 TYR 6 2.191 2.566 8.912 50 HE1 TYR 6 HE1 TYR 6 3.605 5.006 4.818 51 HE2 TYR 6 HE2 TYR 6 4.531 3.542 8.714 52 HH TYR 6 HH TYR 6 6.085 4.103 6.751 53 H GLN 7 H GLN 7 -0.612 -0.309 8.756 54 HA GLN 7 HA GLN 7 -3.329 0.228 8.710 55 1HB GLN 7 1HB GLN 7 -4.266 -1.836 7.812 56 2HB GLN 7 2HB GLN 7 -3.264 -1.086 6.585 57 1HG GLN 7 1HG GLN 7 -2.141 -3.050 6.417 58 2HG GLN 7 2HG GLN 7 -1.464 -2.726 8.001 59 1HE2 GLN 7 1HE2 GLN 7 -2.062 -5.265 6.830 60 2HE2 GLN 7 2HE2 GLN 7 -3.223 -6.072 7.830 61 H ARG 8 H ARG 8 -4.358 -0.670 10.567 62 HA ARG 8 HA ARG 8 -2.699 -2.520 12.068 63 1HB ARG 8 1HB ARG 8 -3.458 -1.203 14.171 64 2HB ARG 8 2HB ARG 8 -2.229 -0.452 13.174 65 1HG ARG 8 1HG ARG 8 -3.972 0.918 12.031 66 2HG ARG 8 2HG ARG 8 -5.220 0.146 12.988 67 1HD ARG 8 1HD ARG 8 -3.038 1.257 14.652 68 2HD ARG 8 2HD ARG 8 -3.835 2.480 13.683 69 HE ARG 8 HE ARG 8 -4.974 1.067 15.947 70 1HH1 ARG 8 2HH2 ARG 8 -5.802 2.574 12.877 71 2HH1 ARG 8 1HH2 ARG 8 -7.438 2.909 13.337 72 1HH2 ARG 8 2HH1 ARG 8 -7.132 1.509 16.555 73 2HH2 ARG 8 1HH1 ARG 8 -8.200 2.299 15.443 74 H ASP 9 H ASP 9 -3.889 -4.291 12.731 75 HA ASP 9 HA ASP 9 -5.562 -5.563 13.265 76 1HB ASP 9 1HB ASP 9 -6.120 -3.697 14.896 77 2HB ASP 9 2HB ASP 9 -7.200 -3.020 13.694 78 H ASP 10 H ASP 10 -6.933 -6.716 11.860 79 HA ASP 10 HA ASP 10 -7.330 -6.017 9.330 80 1HB ASP 10 1HB ASP 10 -7.927 -8.204 10.664 81 2HB ASP 10 2HB ASP 10 -9.514 -7.485 10.852 82 H CYS 11 H CYS 11 -8.440 -4.302 8.381 83 HA CYS 11 HA CYS 11 -10.902 -3.437 9.707 84 1HB CYS 11 1HB CYS 11 -8.509 -1.908 9.417 85 2HB CYS 11 2HB CYS 11 -9.700 -1.222 8.331 86 HG CYS 11 HG CYS 11 -9.402 -1.137 11.472 87 H HIS 12 H HIS 12 -12.355 -2.216 8.079 88 HA HIS 12 HA HIS 12 -12.439 -3.772 5.685 89 1HB HIS 12 1HB HIS 12 -14.267 -2.303 7.300 90 2HB HIS 12 2HB HIS 12 -14.330 -1.611 5.691 91 HD1 HIS 12 HD1 HIS 12 -16.383 -3.675 7.352 92 HD2 HIS 12 HD2 HIS 12 -14.080 -4.398 3.922 93 HE1 HIS 12 HE1 HIS 12 -17.492 -5.631 6.146 94 H LEU 13 H LEU 13 -12.224 -0.220 6.440 95 HA LEU 13 HA LEU 13 -11.916 0.728 3.921 96 1HB LEU 13 1HB LEU 13 -12.003 1.889 6.231 97 2HB LEU 13 2HB LEU 13 -10.256 1.766 6.199 98 HG LEU 13 HG LEU 13 -10.404 2.950 3.903 99 1HD1 LEU 13 1HD1 LEU 13 -13.128 3.682 5.012 100 2HD1 LEU 13 2HD1 LEU 13 -12.346 4.394 3.580 101 3HD1 LEU 13 3HD1 LEU 13 -12.815 2.677 3.577 102 1HD2 LEU 13 1HD2 LEU 13 -10.416 3.957 6.629 103 2HD2 LEU 13 2HD2 LEU 13 -9.447 4.462 5.224 104 3HD2 LEU 13 3HD2 LEU 13 -11.069 5.148 5.478 105 H CYS 14 H CYS 14 -9.449 -0.861 6.001 106 HA CYS 14 HA CYS 14 -7.343 -0.378 4.180 107 1HB CYS 14 1HB CYS 14 -6.956 -0.769 6.582 108 2HB CYS 14 2HB CYS 14 -7.558 -2.408 6.428 109 HG CYS 14 HG CYS 14 -5.814 -2.889 4.324 110 H ASP 15 H ASP 15 -9.746 -2.982 4.785 111 HA ASP 15 HA ASP 15 -8.632 -4.955 3.270 112 1HB ASP 15 1HB ASP 15 -10.718 -5.061 4.733 113 2HB ASP 15 2HB ASP 15 -11.603 -4.270 3.444 114 H GLN 16 H GLN 16 -11.006 -2.350 2.347 115 HA GLN 16 HA GLN 16 -11.247 -3.082 -0.297 116 1HB GLN 16 1HB GLN 16 -11.783 -0.627 1.327 117 2HB GLN 16 2HB GLN 16 -11.686 -0.391 -0.407 118 1HG GLN 16 1HG GLN 16 -13.251 -2.657 -0.299 119 2HG GLN 16 2HG GLN 16 -13.724 -1.873 1.195 120 1HE2 GLN 16 1HE2 GLN 16 -14.911 -0.042 1.182 121 2HE2 GLN 16 2HE2 GLN 16 -15.563 0.708 -0.237 122 H ALA 17 H ALA 17 -8.688 -1.368 1.434 123 HA ALA 17 HA ALA 17 -7.544 -0.111 -0.830 124 1HB ALA 17 1HB ALA 17 -5.535 -0.514 1.084 125 2HB ALA 17 2HB ALA 17 -6.593 0.910 0.938 126 3HB ALA 17 3HB ALA 17 -7.039 -0.421 2.032 127 H VAL 18 H VAL 18 -6.827 -3.164 0.997 128 HA VAL 18 HA VAL 18 -4.674 -3.958 -0.550 129 HB VAL 18 HB VAL 18 -6.754 -5.609 0.897 130 1HG1 VAL 18 1HG1 VAL 18 -5.697 -7.398 0.080 131 2HG1 VAL 18 2HG1 VAL 18 -4.466 -6.380 -0.705 132 3HG1 VAL 18 3HG1 VAL 18 -4.252 -6.891 0.987 133 1HG2 VAL 18 1HG2 VAL 18 -4.126 -4.404 1.818 134 2HG2 VAL 18 2HG2 VAL 18 -5.760 -4.022 2.411 135 3HG2 VAL 18 3HG2 VAL 18 -5.048 -5.621 2.732 136 H GLU 19 H GLU 19 -8.197 -4.182 -1.096 137 HA GLU 19 HA GLU 19 -8.123 -6.052 -3.120 138 1HB GLU 19 1HB GLU 19 -10.072 -4.560 -1.822 139 2HB GLU 19 2HB GLU 19 -10.142 -3.906 -3.446 140 1HG GLU 19 1HG GLU 19 -9.935 -6.861 -3.398 141 2HG GLU 19 2HG GLU 19 -11.370 -6.263 -2.590 142 H ALA 20 H ALA 20 -8.014 -2.426 -3.267 143 HA ALA 20 HA ALA 20 -7.875 -2.229 -6.034 144 1HB ALA 20 1HB ALA 20 -8.380 -0.307 -4.690 145 2HB ALA 20 2HB ALA 20 -6.865 -0.471 -3.770 146 3HB ALA 20 3HB ALA 20 -6.819 0.021 -5.480 147 H LEU 21 H LEU 21 -5.350 -2.765 -3.530 148 HA LEU 21 HA LEU 21 -3.147 -2.396 -5.192 149 1HB LEU 21 1HB LEU 21 -3.726 -3.367 -2.532 150 2HB LEU 21 2HB LEU 21 -2.488 -4.349 -3.289 151 HG LEU 21 HG LEU 21 -2.259 -1.350 -3.334 152 1HD1 LEU 21 1HD1 LEU 21 -0.795 -1.712 -1.221 153 2HD1 LEU 21 2HD1 LEU 21 -2.561 -1.567 -1.048 154 3HD1 LEU 21 3HD1 LEU 21 -1.790 -3.170 -0.989 155 1HD2 LEU 21 1HD2 LEU 21 -0.654 -3.566 -4.181 156 2HD2 LEU 21 2HD2 LEU 21 -0.356 -1.821 -4.367 157 3HD2 LEU 21 3HD2 LEU 21 0.211 -2.671 -2.909 158 H ALA 22 H ALA 22 -4.952 -5.417 -4.301 159 HA ALA 22 HA ALA 22 -3.423 -7.098 -5.926 160 1HB ALA 22 1HB ALA 22 -6.076 -8.104 -5.730 161 2HB ALA 22 2HB ALA 22 -4.668 -8.534 -4.729 162 3HB ALA 22 3HB ALA 22 -5.752 -7.216 -4.221 163 H GLN 23 H GLN 23 -6.483 -5.260 -6.514 164 HA GLN 23 HA GLN 23 -6.981 -6.282 -9.013 165 1HB GLN 23 1HB GLN 23 -7.668 -3.682 -7.628 166 2HB GLN 23 2HB GLN 23 -8.108 -3.902 -9.310 167 1HG GLN 23 1HG GLN 23 -8.876 -6.321 -8.048 168 2HG GLN 23 2HG GLN 23 -9.326 -5.067 -6.910 169 1HE2 GLN 23 1HE2 GLN 23 -11.334 -4.475 -7.120 170 2HE2 GLN 23 2HE2 GLN 23 -12.230 -4.280 -8.589 171 H ALA 24 H ALA 24 -4.857 -3.583 -7.949 172 HA ALA 24 HA ALA 24 -4.253 -2.792 -10.632 173 1HB ALA 24 1HB ALA 24 -3.941 -0.980 -9.289 174 2HB ALA 24 2HB ALA 24 -3.590 -1.974 -7.855 175 3HB ALA 24 3HB ALA 24 -2.316 -1.672 -9.062 176 H ARG 25 H ARG 25 -3.363 -5.406 -8.601 177 HA ARG 25 HA ARG 25 -1.874 -6.964 -8.743 178 1HB ARG 25 1HB ARG 25 -1.920 -5.903 -11.538 179 2HB ARG 25 2HB ARG 25 -0.500 -6.849 -11.140 180 1HG ARG 25 1HG ARG 25 -2.868 -8.178 -10.090 181 2HG ARG 25 2HG ARG 25 -3.113 -7.811 -11.786 182 1HD ARG 25 1HD ARG 25 -0.462 -8.759 -11.697 183 2HD ARG 25 2HD ARG 25 -1.301 -9.781 -10.546 184 HE ARG 25 HE ARG 25 -3.031 -9.771 -12.691 185 1HH1 ARG 25 2HH2 ARG 25 0.414 -10.424 -12.391 186 2HH1 ARG 25 1HH2 ARG 25 0.450 -11.531 -13.723 187 1HH2 ARG 25 2HH1 ARG 25 -2.984 -11.230 -14.449 188 2HH2 ARG 25 1HH1 ARG 25 -1.495 -11.992 -14.902 189 H ALA 26 H ALA 26 -1.084 -4.552 -7.449 190 HA ALA 26 HA ALA 26 1.278 -3.414 -8.267 191 1HB ALA 26 1HB ALA 26 1.246 -2.436 -6.193 192 2HB ALA 26 2HB ALA 26 -0.405 -3.102 -6.178 193 3HB ALA 26 3HB ALA 26 0.912 -3.971 -5.355 194 H GLY 27 H GLY 27 0.867 -6.207 -5.968 195 1HA GLY 27 1HA GLY 27 2.356 -8.131 -6.695 196 2HA GLY 27 2HA GLY 27 3.657 -6.963 -6.571 197 H ALA 28 H ALA 28 4.820 -7.619 -4.786 198 HA ALA 28 HA ALA 28 3.306 -8.265 -2.368 199 1HB ALA 28 1HB ALA 28 6.283 -8.605 -2.847 200 2HB ALA 28 2HB ALA 28 5.251 -9.434 -1.657 201 3HB ALA 28 3HB ALA 28 5.090 -9.810 -3.389 202 H PHE 29 H PHE 29 3.992 -7.312 -0.300 203 HA PHE 29 HA PHE 29 5.723 -5.030 -0.407 204 1HB PHE 29 1HB PHE 29 3.791 -3.553 0.474 205 2HB PHE 29 2HB PHE 29 3.656 -3.992 -1.217 206 HD1 PHE 29 HD1 PHE 29 1.664 -4.886 -1.986 207 HD2 PHE 29 HD2 PHE 29 2.565 -5.167 2.152 208 HE1 PHE 29 HE1 PHE 29 -0.615 -5.844 -1.554 209 HE2 PHE 29 HE2 PHE 29 0.286 -6.125 2.583 210 HZ PHE 29 HZ PHE 29 -1.277 -6.452 0.725 211 H PHE 30 H PHE 30 5.425 -3.811 1.907 212 HA PHE 30 HA PHE 30 5.382 -6.002 3.857 213 1HB PHE 30 1HB PHE 30 6.689 -3.218 3.948 214 2HB PHE 30 2HB PHE 30 6.971 -4.513 5.094 215 HD1 PHE 30 HD1 PHE 30 7.562 -6.841 3.614 216 HD2 PHE 30 HD2 PHE 30 8.533 -2.828 2.638 217 HE1 PHE 30 HE1 PHE 30 9.495 -7.646 2.229 218 HE2 PHE 30 HE2 PHE 30 10.466 -3.632 1.253 219 HZ PHE 30 HZ PHE 30 10.923 -6.032 1.065 220 H SER 31 H SER 31 3.946 -5.934 5.542 221 HA SER 31 HA SER 31 2.139 -3.700 5.549 222 1HB SER 31 1HB SER 31 1.079 -5.246 7.436 223 2HB SER 31 2HB SER 31 0.893 -5.646 5.740 224 HG SER 31 HG SER 31 3.157 -6.655 7.189 225 H VAL 32 H VAL 32 2.232 -2.033 7.025 226 HA VAL 32 HA VAL 32 3.916 -2.483 9.393 227 HB VAL 32 HB VAL 32 3.615 -0.057 7.620 228 1HG1 VAL 32 1HG1 VAL 32 4.947 -0.288 10.338 229 2HG1 VAL 32 2HG1 VAL 32 5.180 1.070 9.211 230 3HG1 VAL 32 3HG1 VAL 32 3.569 0.747 9.895 231 1HG2 VAL 32 1HG2 VAL 32 6.209 -0.336 7.710 232 2HG2 VAL 32 2HG2 VAL 32 5.836 -1.999 8.226 233 3HG2 VAL 32 3HG2 VAL 32 5.250 -1.402 6.655 234 H PHE 33 H PHE 33 3.026 -1.986 11.370 235 HA PHE 33 HA PHE 33 0.243 -1.104 11.272 236 1HB PHE 33 1HB PHE 33 1.777 -2.123 13.703 237 2HB PHE 33 2HB PHE 33 0.070 -2.313 13.353 238 HD1 PHE 33 HD1 PHE 33 3.129 -3.973 13.461 239 HD2 PHE 33 HD2 PHE 33 -0.413 -3.731 11.136 240 HE1 PHE 33 HE1 PHE 33 3.572 -6.268 12.547 241 HE2 PHE 33 HE2 PHE 33 0.030 -6.026 10.222 242 HZ PHE 33 HZ PHE 33 2.017 -7.267 10.938 243 H ILE 34 H ILE 34 -0.318 0.917 11.936 244 HA ILE 34 HA ILE 34 1.743 2.631 12.952 245 HB ILE 34 HB ILE 34 0.160 4.380 12.684 246 1HG1 ILE 34 1HG1 ILE 34 -2.128 2.726 11.823 247 2HG1 ILE 34 2HG1 ILE 34 -1.746 2.598 13.529 248 1HG2 ILE 34 1HG2 ILE 34 0.487 4.330 10.493 249 2HG2 ILE 34 2HG2 ILE 34 0.885 2.599 10.609 250 3HG2 ILE 34 3HG2 ILE 34 -0.792 3.107 10.296 251 1HD1 ILE 34 1HD1 ILE 34 -3.369 4.468 12.928 252 2HD1 ILE 34 2HD1 ILE 34 -1.940 4.992 13.851 253 3HD1 ILE 34 3HD1 ILE 34 -2.019 5.276 12.096 254 H ASP 35 H ASP 35 -0.600 0.452 14.268 255 HA ASP 35 HA ASP 35 -1.396 1.710 16.532 256 1HB ASP 35 1HB ASP 35 -1.924 -0.444 17.366 257 2HB ASP 35 2HB ASP 35 -1.955 -0.655 15.627 258 H ASP 36 H ASP 36 -0.507 1.801 18.729 259 HA ASP 36 HA ASP 36 1.012 1.641 20.313 260 1HB ASP 36 1HB ASP 36 1.913 -0.402 18.766 261 2HB ASP 36 2HB ASP 36 3.247 0.709 18.527 262 H ASP 37 H ASP 37 2.502 2.338 17.059 263 HA ASP 37 HA ASP 37 4.243 4.279 18.057 264 1HB ASP 37 1HB ASP 37 3.135 3.913 15.233 265 2HB ASP 37 2HB ASP 37 4.537 4.881 15.643 266 H ALA 38 H ALA 38 3.223 6.013 19.162 267 HA ALA 38 HA ALA 38 0.751 7.095 18.371 268 1HB ALA 38 1HB ALA 38 2.889 8.498 20.002 269 2HB ALA 38 2HB ALA 38 1.120 8.643 20.135 270 3HB ALA 38 3HB ALA 38 1.933 7.148 20.657 271 H ALA 39 H ALA 39 4.166 7.815 17.577 272 HA ALA 39 HA ALA 39 3.785 10.321 16.442 273 1HB ALA 39 1HB ALA 39 6.007 10.104 16.182 274 2HB ALA 39 2HB ALA 39 5.864 8.441 16.801 275 3HB ALA 39 3HB ALA 39 5.789 8.749 15.049 276 H LEU 40 H LEU 40 3.693 7.012 14.957 277 HA LEU 40 HA LEU 40 3.048 7.988 12.390 278 1HB LEU 40 1HB LEU 40 2.691 5.255 13.626 279 2HB LEU 40 2HB LEU 40 2.513 5.622 11.922 280 HG LEU 40 HG LEU 40 5.069 5.957 13.517 281 1HD1 LEU 40 1HD1 LEU 40 5.849 4.015 12.119 282 2HD1 LEU 40 2HD1 LEU 40 4.625 3.626 13.351 283 3HD1 LEU 40 3HD1 LEU 40 4.153 3.768 11.641 284 1HD2 LEU 40 1HD2 LEU 40 5.288 7.502 11.814 285 2HD2 LEU 40 2HD2 LEU 40 6.000 6.042 11.086 286 3HD2 LEU 40 3HD2 LEU 40 4.342 6.530 10.661 287 H GLU 41 H GLU 41 1.157 7.035 15.271 288 HA GLU 41 HA GLU 41 -1.294 6.881 13.980 289 1HB GLU 41 1HB GLU 41 -0.485 7.440 16.855 290 2HB GLU 41 2HB GLU 41 -2.171 7.382 16.379 291 1HG GLU 41 1HG GLU 41 -0.613 5.092 15.337 292 2HG GLU 41 2HG GLU 41 -0.593 5.181 17.087 293 H SER 42 H SER 42 0.399 9.609 15.653 294 HA SER 42 HA SER 42 -1.722 11.397 15.248 295 1HB SER 42 1HB SER 42 0.721 11.374 16.651 296 2HB SER 42 2HB SER 42 0.923 12.655 15.472 297 HG SER 42 HG SER 42 -1.312 13.382 16.249 298 H ALA 43 H ALA 43 1.084 10.334 13.345 299 HA ALA 43 HA ALA 43 1.076 12.523 11.542 300 1HB ALA 43 1HB ALA 43 2.207 10.329 10.240 301 2HB ALA 43 2HB ALA 43 3.072 11.513 11.249 302 3HB ALA 43 3HB ALA 43 2.491 9.990 11.964 303 H TYR 44 H TYR 44 -0.381 9.215 11.568 304 HA TYR 44 HA TYR 44 -1.876 9.979 9.158 305 1HB TYR 44 1HB TYR 44 -1.111 7.347 10.560 306 2HB TYR 44 2HB TYR 44 -2.230 7.382 9.212 307 HD1 TYR 44 HD1 TYR 44 0.942 6.485 9.928 308 HD2 TYR 44 HD2 TYR 44 -1.108 9.100 7.232 309 HE1 TYR 44 HE1 TYR 44 2.890 6.345 8.300 310 HE2 TYR 44 HE2 TYR 44 0.847 8.951 5.613 311 HH TYR 44 HH TYR 44 3.530 6.752 6.225 312 H GLY 45 H GLY 45 -2.417 7.721 11.952 313 1HA GLY 45 1HA GLY 45 -4.182 7.453 13.318 314 2HA GLY 45 2HA GLY 45 -4.558 9.147 13.073 315 H LEU 46 H LEU 46 -5.775 9.759 11.039 316 HA LEU 46 HA LEU 46 -7.844 7.789 10.604 317 1HB LEU 46 1HB LEU 46 -7.546 10.693 10.420 318 2HB LEU 46 2HB LEU 46 -8.440 10.008 9.077 319 HG LEU 46 HG LEU 46 -9.918 10.747 10.881 320 1HD1 LEU 46 1HD1 LEU 46 -10.148 7.768 10.981 321 2HD1 LEU 46 2HD1 LEU 46 -11.394 9.008 10.703 322 3HD1 LEU 46 3HD1 LEU 46 -10.254 8.585 9.404 323 1HD2 LEU 46 1HD2 LEU 46 -9.412 10.469 13.019 324 2HD2 LEU 46 2HD2 LEU 46 -9.523 8.702 12.831 325 3HD2 LEU 46 3HD2 LEU 46 -7.971 9.530 12.561 326 H ARG 47 H ARG 47 -4.987 9.114 9.017 327 HA ARG 47 HA ARG 47 -5.836 8.026 6.495 328 1HB ARG 47 1HB ARG 47 -3.296 9.507 7.342 329 2HB ARG 47 2HB ARG 47 -3.601 8.968 5.702 330 1HG ARG 47 1HG ARG 47 -4.766 10.871 5.316 331 2HG ARG 47 2HG ARG 47 -5.957 10.362 6.497 332 1HD ARG 47 1HD ARG 47 -5.179 11.816 8.093 333 2HD ARG 47 2HD ARG 47 -3.501 11.455 7.743 334 HE ARG 47 HE ARG 47 -4.289 12.906 5.525 335 1HH1 ARG 47 2HH2 ARG 47 -4.465 13.488 8.991 336 2HH1 ARG 47 1HH2 ARG 47 -4.363 15.211 8.836 337 1HH2 ARG 47 2HH1 ARG 47 -4.156 15.178 5.320 338 2HH2 ARG 47 1HH1 ARG 47 -4.186 16.178 6.734 339 H VAL 48 H VAL 48 -5.511 6.116 8.638 340 HA VAL 48 HA VAL 48 -3.026 4.946 8.821 341 HB VAL 48 HB VAL 48 -5.830 4.221 9.303 342 1HG1 VAL 48 1HG1 VAL 48 -5.567 2.244 8.133 343 2HG1 VAL 48 2HG1 VAL 48 -3.823 2.145 8.474 344 3HG1 VAL 48 3HG1 VAL 48 -5.003 1.765 9.752 345 1HG2 VAL 48 1HG2 VAL 48 -5.009 4.565 11.351 346 2HG2 VAL 48 2HG2 VAL 48 -4.127 3.028 11.191 347 3HG2 VAL 48 3HG2 VAL 48 -3.335 4.558 10.745 348 HA PRO 49 HA PRO 49 -4.182 2.492 4.943 349 1HB PRO 49 1HB PRO 49 -6.331 3.251 3.435 350 2HB PRO 49 2HB PRO 49 -6.407 1.983 4.643 351 1HG PRO 49 1HG PRO 49 -7.449 4.746 4.789 352 2HG PRO 49 2HG PRO 49 -7.871 3.360 5.774 353 1HD PRO 49 1HD PRO 49 -6.175 5.547 6.526 354 2HD PRO 49 2HD PRO 49 -6.505 4.105 7.466 355 H VAL 50 H VAL 50 -2.195 3.866 4.800 356 HA VAL 50 HA VAL 50 -2.544 5.612 2.460 357 HB VAL 50 HB VAL 50 -0.911 5.889 4.961 358 1HG1 VAL 50 1HG1 VAL 50 0.395 7.692 3.856 359 2HG1 VAL 50 2HG1 VAL 50 0.739 6.078 3.192 360 3HG1 VAL 50 3HG1 VAL 50 -0.303 7.206 2.293 361 1HG2 VAL 50 1HG2 VAL 50 -1.958 7.947 5.197 362 2HG2 VAL 50 2HG2 VAL 50 -2.297 8.096 3.456 363 3HG2 VAL 50 3HG2 VAL 50 -3.242 6.965 4.453 364 H LEU 51 H LEU 51 -1.464 4.998 0.651 365 HA LEU 51 HA LEU 51 0.380 2.759 0.943 366 1HB LEU 51 1HB LEU 51 -1.701 3.280 -0.797 367 2HB LEU 51 2HB LEU 51 -0.284 3.655 -1.757 368 HG LEU 51 HG LEU 51 -0.805 1.029 -0.335 369 1HD1 LEU 51 1HD1 LEU 51 -2.319 1.186 -2.154 370 2HD1 LEU 51 2HD1 LEU 51 -1.069 1.851 -3.234 371 3HD1 LEU 51 3HD1 LEU 51 -0.973 0.156 -2.698 372 1HD2 LEU 51 1HD2 LEU 51 1.532 2.034 -1.947 373 2HD2 LEU 51 2HD2 LEU 51 1.516 1.210 -0.369 374 3HD2 LEU 51 3HD2 LEU 51 1.148 0.298 -1.853 375 H ARG 52 H ARG 52 2.526 3.120 1.015 376 HA ARG 52 HA ARG 52 3.433 5.573 -0.266 377 1HB ARG 52 1HB ARG 52 5.235 5.680 1.430 378 2HB ARG 52 2HB ARG 52 3.670 5.635 2.218 379 1HG ARG 52 1HG ARG 52 4.042 3.563 3.145 380 2HG ARG 52 2HG ARG 52 4.839 2.947 1.711 381 1HD ARG 52 1HD ARG 52 6.368 5.070 3.140 382 2HD ARG 52 2HD ARG 52 6.132 3.603 4.071 383 HE ARG 52 HE ARG 52 6.933 2.818 1.458 384 1HH1 ARG 52 2HH2 ARG 52 8.265 4.531 4.228 385 2HH1 ARG 52 1HH2 ARG 52 9.902 4.085 3.878 386 1HH2 ARG 52 2HH1 ARG 52 9.092 2.229 0.996 387 2HH2 ARG 52 1HH1 ARG 52 10.375 2.767 2.028 388 H ASP 53 H ASP 53 5.780 5.444 -1.062 389 HA ASP 53 HA ASP 53 6.364 2.699 -1.856 390 1HB ASP 53 1HB ASP 53 7.627 4.467 -3.684 391 2HB ASP 53 2HB ASP 53 6.267 3.409 -4.004 392 HA PRO 54 HA PRO 54 10.452 3.528 -0.479 393 1HB PRO 54 1HB PRO 54 12.110 2.432 -2.355 394 2HB PRO 54 2HB PRO 54 11.266 1.481 -1.149 395 1HG PRO 54 1HG PRO 54 10.676 1.766 -4.032 396 2HG PRO 54 2HG PRO 54 10.135 0.526 -2.918 397 1HD PRO 54 1HD PRO 54 8.596 2.736 -3.906 398 2HD PRO 54 2HD PRO 54 8.094 1.564 -2.705 399 H MET 55 H MET 55 9.685 4.736 -3.600 400 HA MET 55 HA MET 55 11.974 6.217 -4.014 401 1HB MET 55 1HB MET 55 9.045 6.613 -4.815 402 2HB MET 55 2HB MET 55 10.310 7.668 -5.412 403 1HG MET 55 1HG MET 55 10.518 6.140 -7.104 404 2HG MET 55 2HG MET 55 11.419 5.192 -5.937 405 1HE MET 55 1HE MET 55 11.023 2.869 -5.982 406 2HE MET 55 2HE MET 55 9.579 2.068 -6.645 407 3HE MET 55 3HE MET 55 10.567 3.123 -7.684 408 H GLY 56 H GLY 56 8.965 6.950 -2.177 409 1HA GLY 56 1HA GLY 56 9.376 8.322 -0.174 410 2HA GLY 56 2HA GLY 56 10.274 9.421 -1.203 411 H ARG 57 H ARG 57 7.141 7.673 -1.771 412 HA ARG 57 HA ARG 57 5.822 10.239 -1.714 413 1HB ARG 57 1HB ARG 57 5.461 8.292 -4.044 414 2HB ARG 57 2HB ARG 57 4.730 9.877 -3.888 415 1HG ARG 57 1HG ARG 57 7.369 10.561 -3.620 416 2HG ARG 57 2HG ARG 57 7.534 9.144 -4.638 417 1HD ARG 57 1HD ARG 57 5.916 10.117 -6.274 418 2HD ARG 57 2HD ARG 57 5.712 11.524 -5.249 419 HE ARG 57 HE ARG 57 7.982 10.960 -6.999 420 1HH1 ARG 57 2HH2 ARG 57 6.967 12.687 -4.106 421 2HH1 ARG 57 1HH2 ARG 57 8.227 13.870 -4.215 422 1HH2 ARG 57 2HH1 ARG 57 9.645 12.521 -7.144 423 2HH2 ARG 57 1HH1 ARG 57 9.760 13.775 -5.955 424 H GLU 58 H GLU 58 3.268 9.736 -2.168 425 HA GLU 58 HA GLU 58 2.587 7.137 -1.124 426 1HB GLU 58 1HB GLU 58 0.939 8.450 0.491 427 2HB GLU 58 2HB GLU 58 2.589 8.118 0.981 428 1HG GLU 58 1HG GLU 58 3.113 10.330 1.039 429 2HG GLU 58 2HG GLU 58 2.468 10.598 -0.568 430 H LEU 59 H LEU 59 0.132 6.782 -1.228 431 HA LEU 59 HA LEU 59 -1.002 8.453 -3.362 432 1HB LEU 59 1HB LEU 59 -0.206 6.223 -4.133 433 2HB LEU 59 2HB LEU 59 -1.336 5.470 -3.026 434 HG LEU 59 HG LEU 59 -3.225 6.475 -4.224 435 1HD1 LEU 59 1HD1 LEU 59 -1.055 7.764 -5.875 436 2HD1 LEU 59 2HD1 LEU 59 -2.704 7.525 -6.501 437 3HD1 LEU 59 3HD1 LEU 59 -2.438 8.521 -5.050 438 1HD2 LEU 59 1HD2 LEU 59 -1.722 5.269 -6.473 439 2HD2 LEU 59 2HD2 LEU 59 -1.793 4.312 -4.974 440 3HD2 LEU 59 3HD2 LEU 59 -3.298 4.834 -5.769 441 H ASP 60 H ASP 60 -3.229 8.945 -3.205 442 HA ASP 60 HA ASP 60 -4.165 9.323 -0.678 443 1HB ASP 60 1HB ASP 60 -6.496 9.309 -2.041 444 2HB ASP 60 2HB ASP 60 -5.339 10.618 -2.182 445 H TRP 61 H TRP 61 -5.796 8.191 0.608 446 HA TRP 61 HA TRP 61 -5.644 5.438 0.616 447 1HB TRP 61 1HB TRP 61 -6.437 5.979 2.610 448 2HB TRP 61 2HB TRP 61 -7.061 7.516 2.044 449 HD1 TRP 61 HD1 TRP 61 -9.565 7.565 2.796 450 HE1 TRP 61 HE1 TRP 61 -11.690 6.004 2.692 451 HE3 TRP 61 HE3 TRP 61 -7.165 3.546 0.810 452 HZ2 TRP 61 HZ2 TRP 61 -12.120 3.324 1.810 453 HZ3 TRP 61 HZ3 TRP 61 -8.511 1.497 0.357 454 HH2 TRP 61 HH2 TRP 61 -10.905 1.346 0.825 455 HA PRO 62 HA PRO 62 -9.718 5.451 -1.791 456 1HB PRO 62 1HB PRO 62 -10.859 7.796 -2.609 457 2HB PRO 62 2HB PRO 62 -11.306 6.980 -1.124 458 1HG PRO 62 1HG PRO 62 -9.662 9.411 -1.479 459 2HG PRO 62 2HG PRO 62 -10.464 8.830 -0.034 460 1HD PRO 62 1HD PRO 62 -7.665 8.653 -0.631 461 2HD PRO 62 2HD PRO 62 -8.485 7.971 0.759 462 H PHE 63 H PHE 63 -9.000 4.411 -3.541 463 HA PHE 63 HA PHE 63 -8.377 6.141 -5.782 464 1HB PHE 63 1HB PHE 63 -6.348 4.371 -6.062 465 2HB PHE 63 2HB PHE 63 -6.133 5.820 -5.100 466 HD1 PHE 63 HD1 PHE 63 -4.528 5.079 -3.551 467 HD2 PHE 63 HD2 PHE 63 -8.069 2.812 -4.123 468 HE1 PHE 63 HE1 PHE 63 -3.947 3.668 -1.558 469 HE2 PHE 63 HE2 PHE 63 -7.488 1.401 -2.130 470 HZ PHE 63 HZ PHE 63 -5.434 1.846 -0.871 471 H ASP 64 H ASP 64 -7.506 4.265 -7.615 472 HA ASP 64 HA ASP 64 -9.606 2.247 -7.496 473 1HB ASP 64 1HB ASP 64 -8.634 3.591 -10.052 474 2HB ASP 64 2HB ASP 64 -10.030 2.547 -9.869 475 H ALA 65 H ALA 65 -8.972 0.753 -9.757 476 HA ALA 65 HA ALA 65 -6.494 -0.446 -8.988 477 1HB ALA 65 1HB ALA 65 -7.318 -2.248 -10.103 478 2HB ALA 65 2HB ALA 65 -8.848 -1.339 -10.070 479 3HB ALA 65 3HB ALA 65 -7.808 -1.278 -11.513 480 HA PRO 66 HA PRO 66 -5.279 1.341 -13.202 481 1HB PRO 66 1HB PRO 66 -6.901 3.165 -14.432 482 2HB PRO 66 2HB PRO 66 -6.922 1.454 -14.811 483 1HG PRO 66 1HG PRO 66 -8.873 3.030 -13.247 484 2HG PRO 66 2HG PRO 66 -9.077 1.455 -13.988 485 1HD PRO 66 1HD PRO 66 -8.653 1.999 -11.204 486 2HD PRO 66 2HD PRO 66 -8.740 0.422 -11.963 487 H ARG 67 H ARG 67 -6.752 3.278 -10.806 488 HA ARG 67 HA ARG 67 -5.152 5.536 -11.474 489 1HB ARG 67 1HB ARG 67 -7.532 5.221 -10.125 490 2HB ARG 67 2HB ARG 67 -6.431 5.364 -8.770 491 1HG ARG 67 1HG ARG 67 -5.793 7.556 -9.329 492 2HG ARG 67 2HG ARG 67 -6.151 7.343 -11.032 493 1HD ARG 67 1HD ARG 67 -8.610 6.967 -9.558 494 2HD ARG 67 2HD ARG 67 -7.854 8.437 -8.975 495 HE ARG 67 HE ARG 67 -8.946 7.976 -11.658 496 1HH1 ARG 67 2HH2 ARG 67 -6.742 9.932 -9.734 497 2HH1 ARG 67 1HH2 ARG 67 -6.772 11.273 -10.830 498 1HH2 ARG 67 2HH1 ARG 67 -8.986 9.745 -13.104 499 2HH2 ARG 67 1HH1 ARG 67 -8.057 11.166 -12.760 500 H LEU 68 H LEU 68 -5.099 2.757 -9.237 501 HA LEU 68 HA LEU 68 -2.961 3.837 -7.655 502 1HB LEU 68 1HB LEU 68 -4.790 2.322 -6.834 503 2HB LEU 68 2HB LEU 68 -4.043 1.020 -7.739 504 HG LEU 68 HG LEU 68 -1.958 2.095 -6.201 505 1HD1 LEU 68 1HD1 LEU 68 -4.168 3.071 -4.987 506 2HD1 LEU 68 2HD1 LEU 68 -4.022 1.498 -4.167 507 3HD1 LEU 68 3HD1 LEU 68 -2.664 2.648 -4.134 508 1HD2 LEU 68 1HD2 LEU 68 -1.978 -0.196 -6.620 509 2HD2 LEU 68 2HD2 LEU 68 -2.334 -0.087 -4.879 510 3HD2 LEU 68 3HD2 LEU 68 -3.650 -0.391 -6.039 511 H ARG 69 H ARG 69 -3.385 1.550 -10.389 512 HA ARG 69 HA ARG 69 -0.756 0.635 -10.322 513 1HB ARG 69 1HB ARG 69 -2.550 -0.584 -11.505 514 2HB ARG 69 2HB ARG 69 -2.794 0.762 -12.600 515 1HG ARG 69 1HG ARG 69 -1.411 -0.556 -13.923 516 2HG ARG 69 2HG ARG 69 -0.195 0.416 -13.118 517 1HD ARG 69 1HD ARG 69 -0.346 -1.547 -11.277 518 2HD ARG 69 2HD ARG 69 -0.939 -2.471 -12.643 519 HE ARG 69 HE ARG 69 1.789 -1.636 -12.208 520 1HH1 ARG 69 2HH2 ARG 69 -0.571 -2.128 -14.771 521 2HH1 ARG 69 1HH2 ARG 69 0.624 -2.438 -15.987 522 1HH2 ARG 69 2HH1 ARG 69 3.366 -2.045 -13.811 523 2HH2 ARG 69 1HH1 ARG 69 2.878 -2.391 -15.437 524 H ALA 70 H ALA 70 -2.454 3.188 -12.263 525 HA ALA 70 HA ALA 70 -0.307 3.925 -13.850 526 1HB ALA 70 1HB ALA 70 -2.570 5.644 -12.755 527 2HB ALA 70 2HB ALA 70 -1.584 5.993 -14.194 528 3HB ALA 70 3HB ALA 70 -2.677 4.589 -14.184 529 H TRP 71 H TRP 71 -1.086 4.617 -10.451 530 HA TRP 71 HA TRP 71 0.768 6.771 -10.225 531 1HB TRP 71 1HB TRP 71 -1.114 6.714 -8.765 532 2HB TRP 71 2HB TRP 71 -0.734 5.093 -8.218 533 HD1 TRP 71 HD1 TRP 71 0.622 8.714 -7.858 534 HE1 TRP 71 HE1 TRP 71 2.043 8.969 -5.649 535 HE3 TRP 71 HE3 TRP 71 0.512 3.790 -6.594 536 HZ2 TRP 71 HZ2 TRP 71 2.942 7.124 -3.665 537 HZ3 TRP 71 HZ3 TRP 71 1.686 3.100 -4.506 538 HH2 TRP 71 HH2 TRP 71 2.872 4.676 -3.062 539 H LEU 72 H LEU 72 0.751 3.212 -9.787 540 HA LEU 72 HA LEU 72 3.176 3.001 -8.430 541 1HB LEU 72 1HB LEU 72 1.555 1.159 -10.159 542 2HB LEU 72 2HB LEU 72 3.125 0.665 -9.556 543 HG LEU 72 HG LEU 72 0.833 1.570 -7.793 544 1HD1 LEU 72 1HD1 LEU 72 0.156 -0.451 -8.901 545 2HD1 LEU 72 2HD1 LEU 72 1.721 -1.224 -8.552 546 3HD1 LEU 72 3HD1 LEU 72 0.601 -0.842 -7.222 547 1HD2 LEU 72 1HD2 LEU 72 2.843 1.940 -6.623 548 2HD2 LEU 72 2HD2 LEU 72 2.227 0.379 -6.030 549 3HD2 LEU 72 3HD2 LEU 72 3.562 0.419 -7.206 550 H ASP 73 H ASP 73 2.377 3.099 -11.949 551 HA ASP 73 HA ASP 73 5.032 2.666 -12.730 552 1HB ASP 73 1HB ASP 73 2.440 3.203 -13.968 553 2HB ASP 73 2HB ASP 73 3.681 4.158 -14.754 554 H ALA 74 H ALA 74 3.466 5.280 -11.206 555 HA ALA 74 HA ALA 74 5.051 7.328 -12.543 556 1HB ALA 74 1HB ALA 74 2.617 7.226 -10.807 557 2HB ALA 74 2HB ALA 74 3.650 8.669 -10.675 558 3HB ALA 74 3HB ALA 74 2.953 8.215 -12.248 559 H ALA 75 H ALA 75 5.115 5.171 -9.830 560 HA ALA 75 HA ALA 75 6.367 6.670 -7.892 561 1HB ALA 75 1HB ALA 75 7.408 3.932 -8.195 562 2HB ALA 75 2HB ALA 75 6.481 4.660 -6.861 563 3HB ALA 75 3HB ALA 75 5.633 4.025 -8.291 564 HA PRO 76 HA PRO 76 10.439 5.697 -10.099 565 1HB PRO 76 1HB PRO 76 10.421 4.594 -12.599 566 2HB PRO 76 2HB PRO 76 10.608 3.648 -11.135 567 1HG PRO 76 1HG PRO 76 8.237 3.912 -12.881 568 2HG PRO 76 2HG PRO 76 8.589 2.679 -11.687 569 1HD PRO 76 1HD PRO 76 6.771 4.878 -11.397 570 2HD PRO 76 2HD PRO 76 7.210 3.712 -10.165 571 H HIS 77 H HIS 77 11.705 6.423 -12.289 572 HA HIS 77 HA HIS 77 10.307 8.914 -12.935 573 1HB HIS 77 1HB HIS 77 12.881 8.453 -11.881 574 2HB HIS 77 2HB HIS 77 13.137 8.931 -13.547 575 HD1 HIS 77 HD1 HIS 77 14.129 10.893 -11.534 576 HD2 HIS 77 HD2 HIS 77 10.159 10.932 -12.887 577 HE1 HIS 77 HE1 HIS 77 13.247 13.247 -11.095 578 H ALA 78 H ALA 78 12.830 6.707 -14.357 579 HA ALA 78 HA ALA 78 13.178 6.043 -16.441 580 1HB ALA 78 1HB ALA 78 10.229 6.188 -17.028 581 2HB ALA 78 2HB ALA 78 11.404 4.912 -17.427 582 3HB ALA 78 3HB ALA 78 10.806 5.082 -15.759 Start of MODEL 11 1 1H MET 1 1H MET 1 11.505 -0.322 -2.380 2 HA MET 1 HA MET 1 12.789 -2.074 -4.081 3 1HB MET 1 1HB MET 1 12.847 -3.993 -2.192 4 2HB MET 1 2HB MET 1 14.233 -2.952 -2.444 5 1HG MET 1 1HG MET 1 13.784 -1.650 -0.521 6 2HG MET 1 2HG MET 1 12.081 -2.059 -0.511 7 1HE MET 1 1HE MET 1 12.796 -2.462 2.318 8 2HE MET 1 2HE MET 1 14.173 -3.529 2.683 9 3HE MET 1 3HE MET 1 14.420 -2.058 1.711 10 H ALA 2 H ALA 2 10.432 -1.569 -1.429 11 HA ALA 2 HA ALA 2 8.437 -2.906 -3.084 12 1HB ALA 2 1HB ALA 2 9.213 -4.636 -1.540 13 2HB ALA 2 2HB ALA 2 8.995 -3.537 -0.157 14 3HB ALA 2 3HB ALA 2 7.579 -4.107 -1.073 15 H LEU 3 H LEU 3 6.174 -2.554 -1.777 16 HA LEU 3 HA LEU 3 6.127 0.324 -1.318 17 1HB LEU 3 1HB LEU 3 3.930 -1.669 -1.892 18 2HB LEU 3 2HB LEU 3 3.678 0.042 -1.611 19 HG LEU 3 HG LEU 3 5.571 -0.772 -3.783 20 1HD1 LEU 3 1HD1 LEU 3 4.024 -1.506 -5.265 21 2HD1 LEU 3 2HD1 LEU 3 3.215 -2.052 -3.777 22 3HD1 LEU 3 3HD1 LEU 3 2.712 -0.533 -4.557 23 1HD2 LEU 3 1HD2 LEU 3 4.176 1.257 -4.797 24 2HD2 LEU 3 2HD2 LEU 3 3.891 1.584 -3.071 25 3HD2 LEU 3 3HD2 LEU 3 5.555 1.501 -3.698 26 H THR 4 H THR 4 4.025 0.769 0.301 27 HA THR 4 HA THR 4 4.097 -0.980 2.587 28 HB THR 4 HB THR 4 5.427 1.774 2.584 29 HG1 THR 4 HG1 THR 4 7.098 0.290 3.530 30 1HG2 THR 4 1HG2 THR 4 3.902 1.350 4.635 31 2HG2 THR 4 2HG2 THR 4 4.946 -0.048 4.990 32 3HG2 THR 4 3HG2 THR 4 5.629 1.596 4.990 33 H LEU 5 H LEU 5 2.057 -1.126 3.251 34 HA LEU 5 HA LEU 5 0.404 1.282 2.921 35 1HB LEU 5 1HB LEU 5 -0.472 -0.184 1.378 36 2HB LEU 5 2HB LEU 5 -0.132 -1.601 2.352 37 HG LEU 5 HG LEU 5 -1.941 -0.546 3.969 38 1HD1 LEU 5 1HD1 LEU 5 -2.029 1.497 2.354 39 2HD1 LEU 5 2HD1 LEU 5 -3.083 0.449 1.375 40 3HD1 LEU 5 3HD1 LEU 5 -3.535 0.852 3.049 41 1HD2 LEU 5 1HD2 LEU 5 -2.239 -2.714 3.077 42 2HD2 LEU 5 2HD2 LEU 5 -3.709 -1.803 2.659 43 3HD2 LEU 5 3HD2 LEU 5 -2.460 -2.092 1.424 44 H TYR 6 H TYR 6 0.404 2.219 4.918 45 HA TYR 6 HA TYR 6 0.678 0.779 7.306 46 1HB TYR 6 1HB TYR 6 -0.532 3.505 6.530 47 2HB TYR 6 2HB TYR 6 -0.201 3.059 8.192 48 HD1 TYR 6 HD1 TYR 6 2.354 2.103 8.495 49 HD2 TYR 6 HD2 TYR 6 1.032 4.876 5.518 50 HE1 TYR 6 HE1 TYR 6 4.726 2.984 8.252 51 HE2 TYR 6 HE2 TYR 6 3.409 5.748 5.285 52 HH TYR 6 HH TYR 6 5.457 5.835 6.877 53 H GLN 7 H GLN 7 -0.778 -0.131 8.722 54 HA GLN 7 HA GLN 7 -3.578 0.404 8.252 55 1HB GLN 7 1HB GLN 7 -4.172 -1.978 8.204 56 2HB GLN 7 2HB GLN 7 -3.073 -1.608 6.891 57 1HG GLN 7 1HG GLN 7 -1.153 -2.395 8.386 58 2HG GLN 7 2HG GLN 7 -2.352 -2.928 9.548 59 1HE2 GLN 7 1HE2 GLN 7 -3.976 -4.466 8.843 60 2HE2 GLN 7 2HE2 GLN 7 -3.581 -5.664 7.657 61 H ARG 8 H ARG 8 -4.931 -0.754 10.091 62 HA ARG 8 HA ARG 8 -3.349 -1.091 12.468 63 1HB ARG 8 1HB ARG 8 -4.749 0.524 13.767 64 2HB ARG 8 2HB ARG 8 -3.859 1.328 12.488 65 1HG ARG 8 1HG ARG 8 -5.833 2.170 11.753 66 2HG ARG 8 2HG ARG 8 -6.263 0.551 11.240 67 1HD ARG 8 1HD ARG 8 -6.770 0.529 14.015 68 2HD ARG 8 2HD ARG 8 -7.299 2.121 13.507 69 HE ARG 8 HE ARG 8 -8.416 0.541 11.572 70 1HH1 ARG 8 2HH2 ARG 8 -8.397 0.288 15.082 71 2HH1 ARG 8 1HH2 ARG 8 -9.930 -0.515 15.160 72 1HH2 ARG 8 2HH1 ARG 8 -10.438 -0.519 11.675 73 2HH2 ARG 8 1HH1 ARG 8 -11.098 -0.977 13.209 74 H ASP 9 H ASP 9 -4.094 -3.013 13.309 75 HA ASP 9 HA ASP 9 -5.390 -4.705 13.736 76 1HB ASP 9 1HB ASP 9 -7.175 -2.337 14.322 77 2HB ASP 9 2HB ASP 9 -7.867 -3.943 14.430 78 H ASP 10 H ASP 10 -5.205 -4.067 10.932 79 HA ASP 10 HA ASP 10 -6.177 -4.264 8.988 80 1HB ASP 10 1HB ASP 10 -6.430 -6.608 10.278 81 2HB ASP 10 2HB ASP 10 -8.140 -6.255 10.131 82 H CYS 11 H CYS 11 -7.276 -2.167 8.898 83 HA CYS 11 HA CYS 11 -9.874 -1.891 10.028 84 1HB CYS 11 1HB CYS 11 -8.170 -0.028 9.723 85 2HB CYS 11 2HB CYS 11 -8.547 -0.058 8.012 86 HG CYS 11 HG CYS 11 -10.042 1.206 10.499 87 H HIS 12 H HIS 12 -11.855 -2.224 9.000 88 HA HIS 12 HA HIS 12 -12.081 -3.900 6.895 89 1HB HIS 12 1HB HIS 12 -14.067 -3.686 7.951 90 2HB HIS 12 2HB HIS 12 -13.846 -1.978 8.278 91 HD1 HIS 12 HD1 HIS 12 -15.264 -0.417 6.928 92 HD2 HIS 12 HD2 HIS 12 -14.818 -4.154 5.076 93 HE1 HIS 12 HE1 HIS 12 -16.755 -0.371 4.858 94 H LEU 13 H LEU 13 -11.467 -0.401 6.862 95 HA LEU 13 HA LEU 13 -12.092 -0.056 4.116 96 1HB LEU 13 1HB LEU 13 -12.037 1.679 5.975 97 2HB LEU 13 2HB LEU 13 -10.292 1.663 5.816 98 HG LEU 13 HG LEU 13 -11.583 2.025 3.231 99 1HD1 LEU 13 1HD1 LEU 13 -13.295 3.043 4.836 100 2HD1 LEU 13 2HD1 LEU 13 -12.064 4.284 5.171 101 3HD1 LEU 13 3HD1 LEU 13 -12.689 4.073 3.518 102 1HD2 LEU 13 1HD2 LEU 13 -10.097 4.295 3.875 103 2HD2 LEU 13 2HD2 LEU 13 -9.285 2.965 4.735 104 3HD2 LEU 13 3HD2 LEU 13 -9.539 2.862 2.977 105 H CYS 14 H CYS 14 -9.109 -0.768 6.005 106 HA CYS 14 HA CYS 14 -7.260 -0.452 4.026 107 1HB CYS 14 1HB CYS 14 -7.365 -2.442 6.308 108 2HB CYS 14 2HB CYS 14 -5.969 -2.269 5.264 109 HG CYS 14 HG CYS 14 -6.277 0.563 5.613 110 H ASP 15 H ASP 15 -9.469 -3.217 4.744 111 HA ASP 15 HA ASP 15 -8.451 -5.075 3.074 112 1HB ASP 15 1HB ASP 15 -10.906 -4.599 4.462 113 2HB ASP 15 2HB ASP 15 -11.356 -5.016 2.820 114 H GLN 16 H GLN 16 -10.848 -2.433 2.365 115 HA GLN 16 HA GLN 16 -11.220 -3.105 -0.297 116 1HB GLN 16 1HB GLN 16 -11.776 -0.748 1.451 117 2HB GLN 16 2HB GLN 16 -11.734 -0.418 -0.269 118 1HG GLN 16 1HG GLN 16 -13.287 -2.534 -0.486 119 2HG GLN 16 2HG GLN 16 -13.555 -2.328 1.233 120 1HE2 GLN 16 1HE2 GLN 16 -14.935 -0.847 1.949 121 2HE2 GLN 16 2HE2 GLN 16 -15.771 0.321 0.981 122 H ALA 17 H ALA 17 -8.671 -1.318 1.393 123 HA ALA 17 HA ALA 17 -7.655 -0.015 -0.919 124 1HB ALA 17 1HB ALA 17 -7.373 0.382 1.718 125 2HB ALA 17 2HB ALA 17 -5.931 -0.629 1.454 126 3HB ALA 17 3HB ALA 17 -6.130 0.891 0.550 127 H VAL 18 H VAL 18 -6.875 -3.043 0.896 128 HA VAL 18 HA VAL 18 -4.644 -3.727 -0.636 129 HB VAL 18 HB VAL 18 -6.616 -5.460 0.867 130 1HG1 VAL 18 1HG1 VAL 18 -4.724 -7.066 1.027 131 2HG1 VAL 18 2HG1 VAL 18 -5.291 -6.821 -0.642 132 3HG1 VAL 18 3HG1 VAL 18 -3.792 -6.038 -0.087 133 1HG2 VAL 18 1HG2 VAL 18 -5.389 -3.526 2.081 134 2HG2 VAL 18 2HG2 VAL 18 -5.336 -5.154 2.798 135 3HG2 VAL 18 3HG2 VAL 18 -3.934 -4.535 1.892 136 H GLU 19 H GLU 19 -8.159 -4.145 -1.126 137 HA GLU 19 HA GLU 19 -8.027 -6.051 -3.106 138 1HB GLU 19 1HB GLU 19 -10.020 -4.571 -1.835 139 2HB GLU 19 2HB GLU 19 -10.139 -4.019 -3.494 140 1HG GLU 19 1HG GLU 19 -9.802 -6.957 -3.261 141 2HG GLU 19 2HG GLU 19 -11.258 -6.365 -2.486 142 H ALA 20 H ALA 20 -7.903 -2.440 -3.290 143 HA ALA 20 HA ALA 20 -7.875 -2.271 -6.075 144 1HB ALA 20 1HB ALA 20 -7.310 -0.003 -5.714 145 2HB ALA 20 2HB ALA 20 -8.223 -0.461 -4.257 146 3HB ALA 20 3HB ALA 20 -6.447 -0.366 -4.201 147 H LEU 21 H LEU 21 -5.286 -2.784 -3.634 148 HA LEU 21 HA LEU 21 -3.134 -2.432 -5.380 149 1HB LEU 21 1HB LEU 21 -3.621 -3.391 -2.676 150 2HB LEU 21 2HB LEU 21 -2.337 -4.283 -3.468 151 HG LEU 21 HG LEU 21 -2.339 -1.270 -3.483 152 1HD1 LEU 21 1HD1 LEU 21 -1.444 -1.064 -1.387 153 2HD1 LEU 21 2HD1 LEU 21 -2.573 -2.414 -1.116 154 3HD1 LEU 21 3HD1 LEU 21 -0.838 -2.737 -1.353 155 1HD2 LEU 21 1HD2 LEU 21 -0.666 -1.910 -4.892 156 2HD2 LEU 21 2HD2 LEU 21 0.228 -1.938 -3.353 157 3HD2 LEU 21 3HD2 LEU 21 -0.388 -3.455 -4.052 158 H ALA 22 H ALA 22 -4.789 -5.470 -4.264 159 HA ALA 22 HA ALA 22 -3.343 -7.204 -5.852 160 1HB ALA 22 1HB ALA 22 -4.613 -8.518 -4.538 161 2HB ALA 22 2HB ALA 22 -5.772 -7.201 -4.239 162 3HB ALA 22 3HB ALA 22 -5.952 -8.235 -5.676 163 H GLN 23 H GLN 23 -6.377 -5.363 -6.558 164 HA GLN 23 HA GLN 23 -6.849 -6.472 -9.021 165 1HB GLN 23 1HB GLN 23 -7.543 -3.848 -7.706 166 2HB GLN 23 2HB GLN 23 -7.898 -4.043 -9.411 167 1HG GLN 23 1HG GLN 23 -8.782 -6.457 -8.218 168 2HG GLN 23 2HG GLN 23 -9.264 -5.205 -7.090 169 1HE2 GLN 23 1HE2 GLN 23 -11.007 -6.802 -8.616 170 2HE2 GLN 23 2HE2 GLN 23 -11.905 -5.796 -9.703 171 H ALA 24 H ALA 24 -4.830 -3.623 -8.086 172 HA ALA 24 HA ALA 24 -4.142 -2.990 -10.766 173 1HB ALA 24 1HB ALA 24 -3.439 -2.109 -8.007 174 2HB ALA 24 2HB ALA 24 -2.215 -1.810 -9.263 175 3HB ALA 24 3HB ALA 24 -3.856 -1.147 -9.445 176 H ARG 25 H ARG 25 -3.324 -5.576 -8.695 177 HA ARG 25 HA ARG 25 -1.852 -7.153 -8.781 178 1HB ARG 25 1HB ARG 25 -1.844 -6.136 -11.587 179 2HB ARG 25 2HB ARG 25 -0.423 -7.067 -11.157 180 1HG ARG 25 1HG ARG 25 -2.795 -8.400 -10.120 181 2HG ARG 25 2HG ARG 25 -3.024 -8.055 -11.823 182 1HD ARG 25 1HD ARG 25 -0.412 -8.980 -11.815 183 2HD ARG 25 2HD ARG 25 -1.108 -9.924 -10.513 184 HE ARG 25 HE ARG 25 -2.959 -10.014 -12.657 185 1HH1 ARG 25 2HH2 ARG 25 0.333 -11.066 -11.996 186 2HH1 ARG 25 1HH2 ARG 25 0.259 -12.409 -13.087 187 1HH2 ARG 25 2HH1 ARG 25 -3.057 -11.786 -14.097 188 2HH2 ARG 25 1HH1 ARG 25 -1.682 -12.821 -14.291 189 H ALA 26 H ALA 26 -1.060 -4.714 -7.519 190 HA ALA 26 HA ALA 26 1.338 -3.632 -8.296 191 1HB ALA 26 1HB ALA 26 -0.397 -3.590 -6.047 192 2HB ALA 26 2HB ALA 26 1.234 -3.936 -5.423 193 3HB ALA 26 3HB ALA 26 0.948 -2.481 -6.408 194 H GLY 27 H GLY 27 0.923 -6.253 -5.802 195 1HA GLY 27 1HA GLY 27 2.392 -8.253 -6.530 196 2HA GLY 27 2HA GLY 27 3.688 -7.086 -6.356 197 H ALA 28 H ALA 28 4.769 -7.690 -4.507 198 HA ALA 28 HA ALA 28 3.153 -8.362 -2.166 199 1HB ALA 28 1HB ALA 28 6.158 -8.617 -2.541 200 2HB ALA 28 2HB ALA 28 5.132 -9.422 -1.329 201 3HB ALA 28 3HB ALA 28 5.006 -9.877 -3.045 202 H PHE 29 H PHE 29 3.683 -7.372 -0.074 203 HA PHE 29 HA PHE 29 5.316 -5.002 -0.143 204 1HB PHE 29 1HB PHE 29 3.270 -3.677 0.759 205 2HB PHE 29 2HB PHE 29 3.210 -4.069 -0.948 206 HD1 PHE 29 HD1 PHE 29 1.337 -5.136 -1.811 207 HD2 PHE 29 HD2 PHE 29 2.083 -5.360 2.361 208 HE1 PHE 29 HE1 PHE 29 -0.881 -6.261 -1.474 209 HE2 PHE 29 HE2 PHE 29 -0.135 -6.485 2.697 210 HZ PHE 29 HZ PHE 29 -1.591 -6.922 0.776 211 H PHE 30 H PHE 30 4.960 -3.826 2.173 212 HA PHE 30 HA PHE 30 5.001 -6.026 4.114 213 1HB PHE 30 1HB PHE 30 6.240 -3.208 4.147 214 2HB PHE 30 2HB PHE 30 6.506 -4.432 5.372 215 HD1 PHE 30 HD1 PHE 30 6.983 -6.841 3.756 216 HD2 PHE 30 HD2 PHE 30 8.308 -2.854 3.160 217 HE1 PHE 30 HE1 PHE 30 8.967 -7.691 2.475 218 HE2 PHE 30 HE2 PHE 30 10.292 -3.704 1.879 219 HZ PHE 30 HZ PHE 30 10.598 -6.113 1.552 220 H SER 31 H SER 31 3.625 -5.977 5.862 221 HA SER 31 HA SER 31 1.724 -3.813 5.855 222 1HB SER 31 1HB SER 31 0.725 -5.396 7.748 223 2HB SER 31 2HB SER 31 0.536 -5.794 6.051 224 HG SER 31 HG SER 31 1.284 -7.654 7.117 225 H VAL 32 H VAL 32 2.159 -2.034 7.105 226 HA VAL 32 HA VAL 32 3.740 -2.473 9.537 227 HB VAL 32 HB VAL 32 3.302 -0.001 7.850 228 1HG1 VAL 32 1HG1 VAL 32 4.125 1.259 9.501 229 2HG1 VAL 32 2HG1 VAL 32 3.934 -0.144 10.579 230 3HG1 VAL 32 3HG1 VAL 32 5.487 0.143 9.758 231 1HG2 VAL 32 1HG2 VAL 32 4.768 -1.394 6.647 232 2HG2 VAL 32 2HG2 VAL 32 5.838 -0.282 7.534 233 3HG2 VAL 32 3HG2 VAL 32 5.600 -1.945 8.121 234 H PHE 33 H PHE 33 2.832 -2.100 11.515 235 HA PHE 33 HA PHE 33 0.060 -1.184 11.472 236 1HB PHE 33 1HB PHE 33 1.755 -2.442 13.706 237 2HB PHE 33 2HB PHE 33 0.007 -2.320 13.686 238 HD1 PHE 33 HD1 PHE 33 2.769 -4.398 12.977 239 HD2 PHE 33 HD2 PHE 33 -1.199 -3.561 11.729 240 HE1 PHE 33 HE1 PHE 33 2.623 -6.670 11.919 241 HE2 PHE 33 HE2 PHE 33 -1.346 -5.833 10.671 242 HZ PHE 33 HZ PHE 33 0.567 -7.360 10.779 243 H ILE 34 H ILE 34 -0.455 0.835 12.169 244 HA ILE 34 HA ILE 34 1.629 2.466 13.280 245 HB ILE 34 HB ILE 34 0.099 4.266 13.021 246 1HG1 ILE 34 1HG1 ILE 34 -2.188 2.656 12.046 247 2HG1 ILE 34 2HG1 ILE 34 -1.878 2.547 13.767 248 1HG2 ILE 34 1HG2 ILE 34 0.040 2.287 10.739 249 2HG2 ILE 34 2HG2 ILE 34 -0.598 3.943 10.604 250 3HG2 ILE 34 3HG2 ILE 34 1.123 3.680 10.976 251 1HD1 ILE 34 1HD1 ILE 34 -3.444 4.426 13.122 252 2HD1 ILE 34 2HD1 ILE 34 -2.010 4.968 14.026 253 3HD1 ILE 34 3HD1 ILE 34 -2.087 5.193 12.262 254 H ASP 35 H ASP 35 -0.887 0.368 14.450 255 HA ASP 35 HA ASP 35 -1.686 1.575 16.726 256 1HB ASP 35 1HB ASP 35 -1.653 -1.072 15.633 257 2HB ASP 35 2HB ASP 35 -1.068 -1.217 17.278 258 H ASP 36 H ASP 36 -0.824 1.733 18.894 259 HA ASP 36 HA ASP 36 0.622 1.485 20.540 260 1HB ASP 36 1HB ASP 36 1.430 -0.649 19.074 261 2HB ASP 36 2HB ASP 36 2.840 0.365 18.840 262 H ASP 37 H ASP 37 2.188 2.058 17.303 263 HA ASP 37 HA ASP 37 4.066 3.866 18.309 264 1HB ASP 37 1HB ASP 37 2.978 3.223 15.548 265 2HB ASP 37 2HB ASP 37 4.103 4.549 15.757 266 H ALA 38 H ALA 38 3.236 5.716 19.361 267 HA ALA 38 HA ALA 38 0.828 6.960 18.569 268 1HB ALA 38 1HB ALA 38 1.797 8.794 20.136 269 2HB ALA 38 2HB ALA 38 1.448 7.193 20.832 270 3HB ALA 38 3HB ALA 38 3.122 7.641 20.424 271 H ALA 39 H ALA 39 4.290 7.408 17.783 272 HA ALA 39 HA ALA 39 4.126 9.931 16.645 273 1HB ALA 39 1HB ALA 39 6.240 9.384 15.650 274 2HB ALA 39 2HB ALA 39 6.182 8.543 17.218 275 3HB ALA 39 3HB ALA 39 5.891 7.640 15.712 276 H LEU 40 H LEU 40 3.744 6.650 15.140 277 HA LEU 40 HA LEU 40 3.157 7.694 12.589 278 1HB LEU 40 1HB LEU 40 2.582 4.992 13.812 279 2HB LEU 40 2HB LEU 40 2.418 5.385 12.112 280 HG LEU 40 HG LEU 40 5.034 5.623 13.617 281 1HD1 LEU 40 1HD1 LEU 40 5.342 3.437 12.012 282 2HD1 LEU 40 2HD1 LEU 40 4.974 3.386 13.753 283 3HD1 LEU 40 3HD1 LEU 40 3.660 3.243 12.561 284 1HD2 LEU 40 1HD2 LEU 40 4.465 6.822 11.327 285 2HD2 LEU 40 2HD2 LEU 40 6.053 6.076 11.625 286 3HD2 LEU 40 3HD2 LEU 40 4.828 5.210 10.666 287 H GLU 41 H GLU 41 1.187 6.766 15.444 288 HA GLU 41 HA GLU 41 -1.264 6.855 14.196 289 1HB GLU 41 1HB GLU 41 -0.382 7.359 17.058 290 2HB GLU 41 2HB GLU 41 -2.072 7.446 16.604 291 1HG GLU 41 1HG GLU 41 -0.717 5.026 15.561 292 2HG GLU 41 2HG GLU 41 -0.697 5.121 17.311 293 H SER 42 H SER 42 0.699 9.456 15.753 294 HA SER 42 HA SER 42 -1.300 11.403 15.384 295 1HB SER 42 1HB SER 42 1.158 11.201 16.753 296 2HB SER 42 2HB SER 42 1.434 12.457 15.562 297 HG SER 42 HG SER 42 -0.732 12.371 17.487 298 H ALA 43 H ALA 43 1.332 10.056 13.435 299 HA ALA 43 HA ALA 43 1.470 12.237 11.608 300 1HB ALA 43 1HB ALA 43 2.368 9.725 10.501 301 2HB ALA 43 2HB ALA 43 3.333 11.126 11.027 302 3HB ALA 43 3HB ALA 43 2.904 9.852 12.194 303 H TYR 44 H TYR 44 -0.154 9.007 11.696 304 HA TYR 44 HA TYR 44 -1.647 9.824 9.301 305 1HB TYR 44 1HB TYR 44 -1.254 7.107 10.701 306 2HB TYR 44 2HB TYR 44 -2.005 7.333 9.134 307 HD1 TYR 44 HD1 TYR 44 -0.439 8.617 7.358 308 HD2 TYR 44 HD2 TYR 44 0.962 6.421 10.753 309 HE1 TYR 44 HE1 TYR 44 1.825 8.316 6.239 310 HE2 TYR 44 HE2 TYR 44 3.220 6.128 9.622 311 HH TYR 44 HH TYR 44 3.995 7.823 6.678 312 H GLY 45 H GLY 45 -2.155 7.768 12.262 313 1HA GLY 45 1HA GLY 45 -3.917 7.575 13.641 314 2HA GLY 45 2HA GLY 45 -4.263 9.261 13.312 315 H LEU 46 H LEU 46 -5.631 9.829 11.435 316 HA LEU 46 HA LEU 46 -7.641 7.788 11.032 317 1HB LEU 46 1HB LEU 46 -7.496 10.692 11.022 318 2HB LEU 46 2HB LEU 46 -8.354 10.079 9.622 319 HG LEU 46 HG LEU 46 -9.881 10.595 11.450 320 1HD1 LEU 46 1HD1 LEU 46 -10.497 7.879 11.720 321 2HD1 LEU 46 2HD1 LEU 46 -11.107 9.012 10.490 322 3HD1 LEU 46 3HD1 LEU 46 -9.672 8.017 10.149 323 1HD2 LEU 46 1HD2 LEU 46 -8.746 8.355 13.103 324 2HD2 LEU 46 2HD2 LEU 46 -8.080 10.002 13.223 325 3HD2 LEU 46 3HD2 LEU 46 -9.797 9.707 13.589 326 H ARG 47 H ARG 47 -4.903 9.257 9.386 327 HA ARG 47 HA ARG 47 -5.837 8.310 6.843 328 1HB ARG 47 1HB ARG 47 -3.230 9.687 7.668 329 2HB ARG 47 2HB ARG 47 -3.654 9.298 6.013 330 1HG ARG 47 1HG ARG 47 -4.937 11.160 5.838 331 2HG ARG 47 2HG ARG 47 -5.878 10.703 7.244 332 1HD ARG 47 1HD ARG 47 -4.746 12.144 8.615 333 2HD ARG 47 2HD ARG 47 -3.184 11.669 7.978 334 HE ARG 47 HE ARG 47 -3.245 13.532 6.577 335 1HH1 ARG 47 2HH2 ARG 47 -6.539 12.731 7.520 336 2HH1 ARG 47 1HH2 ARG 47 -7.235 14.110 6.736 337 1HH2 ARG 47 2HH1 ARG 47 -4.163 15.352 5.542 338 2HH2 ARG 47 1HH1 ARG 47 -5.874 15.611 5.603 339 H VAL 48 H VAL 48 -5.447 6.277 8.869 340 HA VAL 48 HA VAL 48 -2.964 5.078 8.865 341 HB VAL 48 HB VAL 48 -5.780 4.238 9.326 342 1HG1 VAL 48 1HG1 VAL 48 -5.392 2.194 8.435 343 2HG1 VAL 48 2HG1 VAL 48 -3.624 2.388 8.483 344 3HG1 VAL 48 3HG1 VAL 48 -4.507 1.920 9.955 345 1HG2 VAL 48 1HG2 VAL 48 -5.152 4.598 11.433 346 2HG2 VAL 48 2HG2 VAL 48 -3.910 3.330 11.293 347 3HG2 VAL 48 3HG2 VAL 48 -3.514 5.015 10.874 348 HA PRO 49 HA PRO 49 -4.385 2.878 4.917 349 1HB PRO 49 1HB PRO 49 -6.524 3.854 3.525 350 2HB PRO 49 2HB PRO 49 -6.646 2.525 4.660 351 1HG PRO 49 1HG PRO 49 -7.506 5.333 4.996 352 2HG PRO 49 2HG PRO 49 -7.987 3.920 5.915 353 1HD PRO 49 1HD PRO 49 -6.135 5.951 6.735 354 2HD PRO 49 2HD PRO 49 -6.528 4.480 7.601 355 H VAL 50 H VAL 50 -2.317 4.096 4.755 356 HA VAL 50 HA VAL 50 -2.615 5.951 2.496 357 HB VAL 50 HB VAL 50 -0.976 6.145 5.004 358 1HG1 VAL 50 1HG1 VAL 50 -0.368 7.478 2.346 359 2HG1 VAL 50 2HG1 VAL 50 0.308 7.997 3.909 360 3HG1 VAL 50 3HG1 VAL 50 0.681 6.378 3.271 361 1HG2 VAL 50 1HG2 VAL 50 -3.280 7.250 4.632 362 2HG2 VAL 50 2HG2 VAL 50 -1.954 8.264 5.250 363 3HG2 VAL 50 3HG2 VAL 50 -2.419 8.355 3.535 364 H LEU 51 H LEU 51 -1.566 5.307 0.683 365 HA LEU 51 HA LEU 51 0.281 3.066 0.977 366 1HB LEU 51 1HB LEU 51 -1.840 3.568 -0.744 367 2HB LEU 51 2HB LEU 51 -0.424 3.873 -1.731 368 HG LEU 51 HG LEU 51 -1.091 1.315 -0.253 369 1HD1 LEU 51 1HD1 LEU 51 -1.118 2.119 -3.159 370 2HD1 LEU 51 2HD1 LEU 51 -0.998 0.417 -2.651 371 3HD1 LEU 51 3HD1 LEU 51 -2.414 1.388 -2.183 372 1HD2 LEU 51 1HD2 LEU 51 1.407 2.097 -1.765 373 2HD2 LEU 51 2HD2 LEU 51 1.264 1.532 -0.084 374 3HD2 LEU 51 3HD2 LEU 51 0.951 0.410 -1.430 375 H ARG 52 H ARG 52 2.430 3.423 0.953 376 HA ARG 52 HA ARG 52 3.279 5.890 -0.340 377 1HB ARG 52 1HB ARG 52 5.128 6.004 1.271 378 2HB ARG 52 2HB ARG 52 3.623 5.839 2.155 379 1HG ARG 52 1HG ARG 52 4.008 3.438 2.489 380 2HG ARG 52 2HG ARG 52 5.409 3.469 1.437 381 1HD ARG 52 1HD ARG 52 5.346 5.302 3.849 382 2HD ARG 52 2HD ARG 52 5.710 3.603 4.081 383 HE ARG 52 HE ARG 52 7.271 4.809 1.920 384 1HH1 ARG 52 2HH2 ARG 52 7.114 4.281 5.395 385 2HH1 ARG 52 1HH2 ARG 52 8.822 4.455 5.628 386 1HH2 ARG 52 2HH1 ARG 52 9.524 5.038 2.226 387 2HH2 ARG 52 1HH1 ARG 52 10.202 4.888 3.813 388 H ASP 53 H ASP 53 5.346 5.802 -1.529 389 HA ASP 53 HA ASP 53 5.946 3.071 -2.340 390 1HB ASP 53 1HB ASP 53 5.599 5.613 -3.779 391 2HB ASP 53 2HB ASP 53 7.135 4.867 -4.174 392 HA PRO 54 HA PRO 54 10.115 3.773 -1.153 393 1HB PRO 54 1HB PRO 54 11.641 2.680 -3.140 394 2HB PRO 54 2HB PRO 54 10.839 1.722 -1.910 395 1HG PRO 54 1HG PRO 54 10.101 2.086 -4.749 396 2HG PRO 54 2HG PRO 54 9.589 0.835 -3.633 397 1HD PRO 54 1HD PRO 54 8.056 3.103 -4.489 398 2HD PRO 54 2HD PRO 54 7.591 1.917 -3.286 399 H MET 55 H MET 55 9.293 4.996 -4.277 400 HA MET 55 HA MET 55 11.570 6.455 -4.741 401 1HB MET 55 1HB MET 55 8.636 6.701 -5.486 402 2HB MET 55 2HB MET 55 9.709 8.017 -5.921 403 1HG MET 55 1HG MET 55 10.559 5.191 -6.584 404 2HG MET 55 2HG MET 55 9.329 5.947 -7.576 405 1HE MET 55 1HE MET 55 12.512 5.043 -7.157 406 2HE MET 55 2HE MET 55 12.648 5.366 -8.902 407 3HE MET 55 3HE MET 55 13.666 6.262 -7.749 408 H GLY 56 H GLY 56 8.661 7.221 -2.766 409 1HA GLY 56 1HA GLY 56 9.220 8.569 -0.768 410 2HA GLY 56 2HA GLY 56 10.036 9.678 -1.852 411 H ARG 57 H ARG 57 6.878 7.915 -2.192 412 HA ARG 57 HA ARG 57 5.482 10.381 -1.859 413 1HB ARG 57 1HB ARG 57 4.271 9.982 -4.141 414 2HB ARG 57 2HB ARG 57 5.860 10.719 -4.181 415 1HG ARG 57 1HG ARG 57 6.741 8.237 -4.395 416 2HG ARG 57 2HG ARG 57 5.092 7.862 -4.854 417 1HD ARG 57 1HD ARG 57 6.022 8.329 -6.951 418 2HD ARG 57 2HD ARG 57 5.378 9.904 -6.532 419 HE ARG 57 HE ARG 57 8.081 9.609 -5.531 420 1HH1 ARG 57 2HH2 ARG 57 6.246 10.228 -8.469 421 2HH1 ARG 57 1HH2 ARG 57 7.531 11.095 -9.241 422 1HH2 ARG 57 2HH1 ARG 57 9.777 10.752 -6.549 423 2HH2 ARG 57 1HH1 ARG 57 9.553 11.395 -8.142 424 H GLU 58 H GLU 58 2.988 9.941 -2.141 425 HA GLU 58 HA GLU 58 2.396 7.137 -1.724 426 1HB GLU 58 1HB GLU 58 0.796 7.952 0.182 427 2HB GLU 58 2HB GLU 58 2.497 7.735 0.541 428 1HG GLU 58 1HG GLU 58 2.019 9.865 1.458 429 2HG GLU 58 2HG GLU 58 2.775 10.251 -0.075 430 H LEU 59 H LEU 59 -0.060 6.742 -1.821 431 HA LEU 59 HA LEU 59 -1.232 8.699 -3.673 432 1HB LEU 59 1HB LEU 59 -0.579 6.449 -4.593 433 2HB LEU 59 2HB LEU 59 -1.790 5.736 -3.545 434 HG LEU 59 HG LEU 59 -3.543 7.083 -4.679 435 1HD1 LEU 59 1HD1 LEU 59 -1.342 8.546 -5.665 436 2HD1 LEU 59 2HD1 LEU 59 -2.093 7.755 -7.071 437 3HD1 LEU 59 3HD1 LEU 59 -3.071 8.794 -6.007 438 1HD2 LEU 59 1HD2 LEU 59 -2.195 4.794 -5.611 439 2HD2 LEU 59 2HD2 LEU 59 -3.857 5.314 -5.979 440 3HD2 LEU 59 3HD2 LEU 59 -2.516 5.799 -7.045 441 H ASP 60 H ASP 60 -3.445 9.257 -3.406 442 HA ASP 60 HA ASP 60 -4.250 9.518 -0.815 443 1HB ASP 60 1HB ASP 60 -5.168 10.289 -3.357 444 2HB ASP 60 2HB ASP 60 -6.492 9.328 -2.730 445 H TRP 61 H TRP 61 -5.809 8.349 0.496 446 HA TRP 61 HA TRP 61 -5.800 5.636 0.401 447 1HB TRP 61 1HB TRP 61 -6.630 6.189 2.383 448 2HB TRP 61 2HB TRP 61 -7.279 7.708 1.800 449 HD1 TRP 61 HD1 TRP 61 -9.809 7.701 2.452 450 HE1 TRP 61 HE1 TRP 61 -11.886 6.079 2.300 451 HE3 TRP 61 HE3 TRP 61 -7.234 3.723 0.608 452 HZ2 TRP 61 HZ2 TRP 61 -12.211 3.376 1.446 453 HZ3 TRP 61 HZ3 TRP 61 -8.506 1.630 0.143 454 HH2 TRP 61 HH2 TRP 61 -10.910 1.418 0.532 455 HA PRO 62 HA PRO 62 -9.771 5.830 -2.184 456 1HB PRO 62 1HB PRO 62 -10.681 8.221 -3.144 457 2HB PRO 62 2HB PRO 62 -11.273 7.495 -1.664 458 1HG PRO 62 1HG PRO 62 -9.430 9.783 -1.998 459 2HG PRO 62 2HG PRO 62 -10.356 9.316 -0.585 460 1HD PRO 62 1HD PRO 62 -7.549 8.910 -1.008 461 2HD PRO 62 2HD PRO 62 -8.497 8.342 0.352 462 H PHE 63 H PHE 63 -9.081 4.686 -3.877 463 HA PHE 63 HA PHE 63 -8.238 6.259 -6.143 464 1HB PHE 63 1HB PHE 63 -6.249 4.412 -6.210 465 2HB PHE 63 2HB PHE 63 -6.037 5.926 -5.354 466 HD1 PHE 63 HD1 PHE 63 -4.534 5.285 -3.668 467 HD2 PHE 63 HD2 PHE 63 -8.087 3.039 -4.248 468 HE1 PHE 63 HE1 PHE 63 -4.082 4.023 -1.546 469 HE2 PHE 63 HE2 PHE 63 -7.635 1.777 -2.126 470 HZ PHE 63 HZ PHE 63 -5.638 2.284 -0.800 471 H ASP 64 H ASP 64 -7.328 4.267 -7.826 472 HA ASP 64 HA ASP 64 -9.447 2.274 -7.682 473 1HB ASP 64 1HB ASP 64 -8.434 3.520 -10.272 474 2HB ASP 64 2HB ASP 64 -9.829 2.479 -10.072 475 H ALA 65 H ALA 65 -8.767 0.702 -9.881 476 HA ALA 65 HA ALA 65 -6.301 -0.461 -9.020 477 1HB ALA 65 1HB ALA 65 -7.521 -1.424 -11.531 478 2HB ALA 65 2HB ALA 65 -7.135 -2.307 -10.034 479 3HB ALA 65 3HB ALA 65 -8.646 -1.375 -10.153 480 HA PRO 66 HA PRO 66 -5.015 1.162 -13.279 481 1HB PRO 66 1HB PRO 66 -6.623 2.922 -14.614 482 2HB PRO 66 2HB PRO 66 -6.627 1.197 -14.922 483 1HG PRO 66 1HG PRO 66 -8.618 2.824 -13.462 484 2HG PRO 66 2HG PRO 66 -8.798 1.218 -14.141 485 1HD PRO 66 1HD PRO 66 -8.431 1.880 -11.375 486 2HD PRO 66 2HD PRO 66 -8.495 0.272 -12.068 487 H ARG 67 H ARG 67 -6.546 3.187 -10.994 488 HA ARG 67 HA ARG 67 -4.945 5.425 -11.725 489 1HB ARG 67 1HB ARG 67 -7.351 5.162 -10.421 490 2HB ARG 67 2HB ARG 67 -6.285 5.347 -9.042 491 1HG ARG 67 1HG ARG 67 -5.510 7.494 -9.777 492 2HG ARG 67 2HG ARG 67 -6.109 7.251 -11.406 493 1HD ARG 67 1HD ARG 67 -8.345 6.978 -9.595 494 2HD ARG 67 2HD ARG 67 -7.481 8.440 -9.163 495 HE ARG 67 HE ARG 67 -7.854 8.198 -12.046 496 1HH1 ARG 67 2HH2 ARG 67 -9.402 9.205 -9.050 497 2HH1 ARG 67 1HH2 ARG 67 -10.488 10.305 -9.832 498 1HH2 ARG 67 2HH1 ARG 67 -9.287 9.648 -13.078 499 2HH2 ARG 67 1HH1 ARG 67 -10.423 10.559 -12.138 500 H LEU 68 H LEU 68 -4.924 2.745 -9.369 501 HA LEU 68 HA LEU 68 -2.822 3.902 -7.795 502 1HB LEU 68 1HB LEU 68 -4.657 2.415 -6.943 503 2HB LEU 68 2HB LEU 68 -3.891 1.080 -7.780 504 HG LEU 68 HG LEU 68 -1.821 2.181 -6.272 505 1HD1 LEU 68 1HD1 LEU 68 -4.062 3.268 -5.147 506 2HD1 LEU 68 2HD1 LEU 68 -3.855 1.786 -4.183 507 3HD1 LEU 68 3HD1 LEU 68 -2.528 2.967 -4.296 508 1HD2 LEU 68 1HD2 LEU 68 -3.447 -0.081 -5.178 509 2HD2 LEU 68 2HD2 LEU 68 -2.676 -0.256 -6.772 510 3HD2 LEU 68 3HD2 LEU 68 -1.683 0.092 -5.337 511 H ARG 69 H ARG 69 -3.181 1.497 -10.435 512 HA ARG 69 HA ARG 69 -0.543 0.611 -10.277 513 1HB ARG 69 1HB ARG 69 -2.291 -0.695 -11.424 514 2HB ARG 69 2HB ARG 69 -2.558 0.596 -12.578 515 1HG ARG 69 1HG ARG 69 -1.160 -0.875 -13.780 516 2HG ARG 69 2HG ARG 69 -0.024 0.316 -13.180 517 1HD ARG 69 1HD ARG 69 0.111 -1.367 -11.084 518 2HD ARG 69 2HD ARG 69 -0.447 -2.532 -12.268 519 HE ARG 69 HE ARG 69 1.640 -1.180 -13.550 520 1HH1 ARG 69 2HH2 ARG 69 1.299 -3.037 -10.580 521 2HH1 ARG 69 1HH2 ARG 69 2.941 -3.587 -10.584 522 1HH2 ARG 69 2HH1 ARG 69 3.806 -1.906 -13.556 523 2HH2 ARG 69 1HH1 ARG 69 4.377 -2.940 -12.289 524 H ALA 70 H ALA 70 -2.240 3.038 -12.376 525 HA ALA 70 HA ALA 70 -0.073 3.721 -13.962 526 1HB ALA 70 1HB ALA 70 -1.369 5.778 -14.402 527 2HB ALA 70 2HB ALA 70 -2.420 4.342 -14.407 528 3HB ALA 70 3HB ALA 70 -2.404 5.428 -12.997 529 H TRP 71 H TRP 71 -0.946 4.611 -10.626 530 HA TRP 71 HA TRP 71 0.884 6.788 -10.480 531 1HB TRP 71 1HB TRP 71 -1.039 6.763 -9.059 532 2HB TRP 71 2HB TRP 71 -0.615 5.196 -8.398 533 HD1 TRP 71 HD1 TRP 71 0.653 8.870 -8.288 534 HE1 TRP 71 HE1 TRP 71 2.015 9.325 -6.074 535 HE3 TRP 71 HE3 TRP 71 0.593 4.060 -6.640 536 HZ2 TRP 71 HZ2 TRP 71 2.894 7.660 -3.930 537 HZ3 TRP 71 HZ3 TRP 71 1.726 3.560 -4.477 538 HH2 TRP 71 HH2 TRP 71 2.849 5.266 -3.135 539 H LEU 72 H LEU 72 0.893 3.260 -9.794 540 HA LEU 72 HA LEU 72 3.328 3.191 -8.425 541 1HB LEU 72 1HB LEU 72 1.761 1.161 -10.000 542 2HB LEU 72 2HB LEU 72 3.292 0.765 -9.245 543 HG LEU 72 HG LEU 72 0.964 1.908 -7.691 544 1HD1 LEU 72 1HD1 LEU 72 -0.004 -0.046 -8.473 545 2HD1 LEU 72 2HD1 LEU 72 1.538 -0.935 -8.481 546 3HD1 LEU 72 3HD1 LEU 72 0.731 -0.566 -6.938 547 1HD2 LEU 72 1HD2 LEU 72 3.217 2.093 -6.680 548 2HD2 LEU 72 2HD2 LEU 72 2.114 1.052 -5.748 549 3HD2 LEU 72 3HD2 LEU 72 3.376 0.323 -6.770 550 H ASP 73 H ASP 73 2.500 2.925 -11.930 551 HA ASP 73 HA ASP 73 5.179 2.480 -12.661 552 1HB ASP 73 1HB ASP 73 2.566 2.738 -13.949 553 2HB ASP 73 2HB ASP 73 3.772 3.627 -14.859 554 H ALA 74 H ALA 74 3.533 5.183 -11.439 555 HA ALA 74 HA ALA 74 4.951 7.131 -13.073 556 1HB ALA 74 1HB ALA 74 2.465 7.027 -11.656 557 2HB ALA 74 2HB ALA 74 3.464 8.298 -10.912 558 3HB ALA 74 3HB ALA 74 3.112 8.349 -12.656 559 H ALA 75 H ALA 75 5.244 5.326 -10.116 560 HA ALA 75 HA ALA 75 6.553 7.107 -8.470 561 1HB ALA 75 1HB ALA 75 6.638 5.261 -7.190 562 2HB ALA 75 2HB ALA 75 5.944 4.353 -8.555 563 3HB ALA 75 3HB ALA 75 7.710 4.443 -8.351 564 HA PRO 76 HA PRO 76 10.535 5.919 -10.726 565 1HB PRO 76 1HB PRO 76 10.440 4.416 -13.007 566 2HB PRO 76 2HB PRO 76 10.733 3.732 -11.420 567 1HG PRO 76 1HG PRO 76 8.273 3.631 -13.056 568 2HG PRO 76 2HG PRO 76 8.729 2.624 -11.697 569 1HD PRO 76 1HD PRO 76 6.843 4.785 -11.675 570 2HD PRO 76 2HD PRO 76 7.386 3.854 -10.293 571 H HIS 77 H HIS 77 11.562 6.173 -13.219 572 HA HIS 77 HA HIS 77 10.013 8.449 -14.222 573 1HB HIS 77 1HB HIS 77 12.752 8.333 -13.231 574 2HB HIS 77 2HB HIS 77 12.690 8.926 -14.879 575 HD1 HIS 77 HD1 HIS 77 10.182 10.657 -14.889 576 HD2 HIS 77 HD2 HIS 77 12.903 10.585 -11.698 577 HE1 HIS 77 HE1 HIS 77 9.873 12.859 -13.636 578 H ALA 78 H ALA 78 10.004 5.545 -14.967 579 HA ALA 78 HA ALA 78 9.983 4.303 -16.797 580 1HB ALA 78 1HB ALA 78 8.765 5.548 -18.228 581 2HB ALA 78 2HB ALA 78 9.563 7.052 -17.708 582 3HB ALA 78 3HB ALA 78 10.307 6.039 -18.969 Start of MODEL 12 1 1H MET 1 1H MET 1 12.529 -4.566 1.543 2 HA MET 1 HA MET 1 13.363 -3.025 0.035 3 1HB MET 1 1HB MET 1 13.279 -5.899 -0.666 4 2HB MET 1 2HB MET 1 13.542 -4.905 -2.084 5 1HG MET 1 1HG MET 1 15.177 -4.000 0.197 6 2HG MET 1 2HG MET 1 15.494 -5.676 -0.203 7 1HE MET 1 1HE MET 1 17.229 -6.096 -1.126 8 2HE MET 1 2HE MET 1 17.664 -5.780 -2.823 9 3HE MET 1 3HE MET 1 18.326 -4.754 -1.529 10 H ALA 2 H ALA 2 10.171 -3.678 -0.320 11 HA ALA 2 HA ALA 2 10.063 -2.434 -2.983 12 1HB ALA 2 1HB ALA 2 8.320 -3.811 -3.562 13 2HB ALA 2 2HB ALA 2 9.128 -4.894 -2.403 14 3HB ALA 2 3HB ALA 2 7.719 -3.934 -1.891 15 H LEU 3 H LEU 3 7.051 -2.161 -2.434 16 HA LEU 3 HA LEU 3 7.289 0.403 -1.147 17 1HB LEU 3 1HB LEU 3 4.894 0.598 -1.769 18 2HB LEU 3 2HB LEU 3 5.995 0.348 -3.110 19 HG LEU 3 HG LEU 3 5.127 -2.229 -2.344 20 1HD1 LEU 3 1HD1 LEU 3 2.572 -1.025 -2.987 21 2HD1 LEU 3 2HD1 LEU 3 3.010 -2.149 -1.678 22 3HD1 LEU 3 3HD1 LEU 3 3.214 -0.396 -1.451 23 1HD2 LEU 3 1HD2 LEU 3 5.649 -1.836 -4.583 24 2HD2 LEU 3 2HD2 LEU 3 3.879 -2.026 -4.587 25 3HD2 LEU 3 3HD2 LEU 3 4.600 -0.401 -4.679 26 H THR 4 H THR 4 4.991 0.789 0.254 27 HA THR 4 HA THR 4 4.641 -1.404 2.116 28 HB THR 4 HB THR 4 5.922 1.274 2.874 29 HG1 THR 4 HG1 THR 4 7.692 -0.084 3.023 30 1HG2 THR 4 1HG2 THR 4 5.499 -1.022 4.794 31 2HG2 THR 4 2HG2 THR 4 5.681 0.714 5.142 32 3HG2 THR 4 3HG2 THR 4 4.138 0.089 4.510 33 H LEU 5 H LEU 5 2.644 -1.422 3.052 34 HA LEU 5 HA LEU 5 1.004 0.957 2.517 35 1HB LEU 5 1HB LEU 5 0.180 -0.528 0.974 36 2HB LEU 5 2HB LEU 5 0.496 -1.932 1.973 37 HG LEU 5 HG LEU 5 -1.382 -0.865 3.510 38 1HD1 LEU 5 1HD1 LEU 5 -1.381 1.037 1.550 39 2HD1 LEU 5 2HD1 LEU 5 -2.702 -0.030 1.017 40 3HD1 LEU 5 3HD1 LEU 5 -2.741 0.691 2.644 41 1HD2 LEU 5 1HD2 LEU 5 -1.240 -2.978 1.757 42 2HD2 LEU 5 2HD2 LEU 5 -2.588 -2.632 2.866 43 3HD2 LEU 5 3HD2 LEU 5 -2.665 -2.085 1.174 44 H TYR 6 H TYR 6 0.850 1.948 4.475 45 HA TYR 6 HA TYR 6 1.034 0.582 6.916 46 1HB TYR 6 1HB TYR 6 -0.154 3.263 5.976 47 2HB TYR 6 2HB TYR 6 0.034 2.875 7.674 48 HD1 TYR 6 HD1 TYR 6 1.496 4.573 5.015 49 HD2 TYR 6 HD2 TYR 6 2.544 2.006 8.274 50 HE1 TYR 6 HE1 TYR 6 3.877 5.465 4.962 51 HE2 TYR 6 HE2 TYR 6 4.921 2.907 8.210 52 HH TYR 6 HH TYR 6 5.803 5.505 5.965 53 H GLN 7 H GLN 7 -0.491 -0.238 8.337 54 HA GLN 7 HA GLN 7 -3.266 0.187 7.668 55 1HB GLN 7 1HB GLN 7 -3.822 -2.181 7.660 56 2HB GLN 7 2HB GLN 7 -2.572 -1.900 6.465 57 1HG GLN 7 1HG GLN 7 -0.837 -2.724 8.000 58 2HG GLN 7 2HG GLN 7 -1.995 -2.847 9.310 59 1HE2 GLN 7 1HE2 GLN 7 -0.255 -4.736 7.601 60 2HE2 GLN 7 2HE2 GLN 7 -1.305 -6.056 7.208 61 H ARG 8 H ARG 8 -4.695 -0.929 9.489 62 HA ARG 8 HA ARG 8 -3.296 -1.214 11.956 63 1HB ARG 8 1HB ARG 8 -3.826 1.345 11.491 64 2HB ARG 8 2HB ARG 8 -5.472 0.906 11.902 65 1HG ARG 8 1HG ARG 8 -3.500 -0.168 13.826 66 2HG ARG 8 2HG ARG 8 -3.451 1.580 13.720 67 1HD ARG 8 1HD ARG 8 -5.646 1.836 14.507 68 2HD ARG 8 2HD ARG 8 -6.166 0.278 13.897 69 HE ARG 8 HE ARG 8 -4.167 -0.099 15.939 70 1HH1 ARG 8 2HH2 ARG 8 -7.542 0.805 15.527 71 2HH1 ARG 8 1HH2 ARG 8 -8.014 0.257 17.101 72 1HH2 ARG 8 2HH1 ARG 8 -4.788 -0.822 18.016 73 2HH2 ARG 8 1HH1 ARG 8 -6.437 -0.675 18.526 74 H ASP 9 H ASP 9 -5.137 -1.473 13.815 75 HA ASP 9 HA ASP 9 -6.500 -3.682 13.373 76 1HB ASP 9 1HB ASP 9 -6.303 -2.162 15.502 77 2HB ASP 9 2HB ASP 9 -7.795 -1.427 14.951 78 H ASP 10 H ASP 10 -7.594 -0.304 12.683 79 HA ASP 10 HA ASP 10 -10.186 -0.706 12.109 80 1HB ASP 10 1HB ASP 10 -8.609 1.419 11.948 81 2HB ASP 10 2HB ASP 10 -8.465 0.973 10.260 82 H CYS 11 H CYS 11 -11.182 -2.133 10.678 83 HA CYS 11 HA CYS 11 -9.588 -3.141 8.469 84 1HB CYS 11 1HB CYS 11 -12.081 -4.114 9.861 85 2HB CYS 11 2HB CYS 11 -11.651 -4.718 8.273 86 HG CYS 11 HG CYS 11 -10.552 -5.380 11.157 87 H HIS 12 H HIS 12 -11.436 -3.743 6.538 88 HA HIS 12 HA HIS 12 -12.753 -2.959 4.960 89 1HB HIS 12 1HB HIS 12 -13.505 -0.626 6.731 90 2HB HIS 12 2HB HIS 12 -14.401 -1.272 5.371 91 HD1 HIS 12 HD1 HIS 12 -14.813 -1.142 8.792 92 HD2 HIS 12 HD2 HIS 12 -14.750 -4.375 6.119 93 HE1 HIS 12 HE1 HIS 12 -16.049 -3.050 9.949 94 H LEU 13 H LEU 13 -11.488 0.040 6.592 95 HA LEU 13 HA LEU 13 -10.954 1.408 4.262 96 1HB LEU 13 1HB LEU 13 -10.807 1.905 6.933 97 2HB LEU 13 2HB LEU 13 -9.106 1.861 6.513 98 HG LEU 13 HG LEU 13 -9.565 3.564 4.723 99 1HD1 LEU 13 1HD1 LEU 13 -12.130 2.925 4.850 100 2HD1 LEU 13 2HD1 LEU 13 -12.154 4.239 6.050 101 3HD1 LEU 13 3HD1 LEU 13 -11.594 4.558 4.391 102 1HD2 LEU 13 1HD2 LEU 13 -8.552 4.386 6.668 103 2HD2 LEU 13 2HD2 LEU 13 -9.947 5.459 6.403 104 3HD2 LEU 13 3HD2 LEU 13 -10.030 4.180 7.638 105 H CYS 14 H CYS 14 -8.864 -0.851 6.155 106 HA CYS 14 HA CYS 14 -6.684 -0.507 4.363 107 1HB CYS 14 1HB CYS 14 -6.188 -1.071 6.641 108 2HB CYS 14 2HB CYS 14 -7.225 -2.483 6.596 109 HG CYS 14 HG CYS 14 -4.691 -1.964 4.533 110 H ASP 15 H ASP 15 -9.288 -2.950 4.958 111 HA ASP 15 HA ASP 15 -8.490 -4.889 3.264 112 1HB ASP 15 1HB ASP 15 -11.274 -3.812 3.875 113 2HB ASP 15 2HB ASP 15 -11.037 -5.252 2.905 114 H GLN 16 H GLN 16 -10.602 -2.006 2.551 115 HA GLN 16 HA GLN 16 -10.939 -2.549 -0.131 116 1HB GLN 16 1HB GLN 16 -11.288 -0.202 1.672 117 2HB GLN 16 2HB GLN 16 -11.111 0.193 -0.026 118 1HG GLN 16 1HG GLN 16 -12.881 -1.805 -0.329 119 2HG GLN 16 2HG GLN 16 -13.273 -1.416 1.334 120 1HE2 GLN 16 1HE2 GLN 16 -13.434 1.018 1.769 121 2HE2 GLN 16 2HE2 GLN 16 -14.370 1.948 0.647 122 H ALA 17 H ALA 17 -8.239 -1.131 1.666 123 HA ALA 17 HA ALA 17 -7.012 0.136 -0.549 124 1HB ALA 17 1HB ALA 17 -5.162 0.439 0.959 125 2HB ALA 17 2HB ALA 17 -6.653 0.617 1.917 126 3HB ALA 17 3HB ALA 17 -5.716 -0.894 2.001 127 H VAL 18 H VAL 18 -6.520 -3.040 1.138 128 HA VAL 18 HA VAL 18 -4.462 -3.901 -0.541 129 HB VAL 18 HB VAL 18 -6.493 -5.378 1.138 130 1HG1 VAL 18 1HG1 VAL 18 -5.397 -6.708 -0.788 131 2HG1 VAL 18 2HG1 VAL 18 -3.896 -6.565 0.158 132 3HG1 VAL 18 3HG1 VAL 18 -5.313 -7.384 0.856 133 1HG2 VAL 18 1HG2 VAL 18 -4.086 -3.888 1.732 134 2HG2 VAL 18 2HG2 VAL 18 -5.259 -4.636 2.842 135 3HG2 VAL 18 3HG2 VAL 18 -3.897 -5.592 2.210 136 H GLU 19 H GLU 19 -8.042 -4.096 -0.763 137 HA GLU 19 HA GLU 19 -8.182 -5.903 -2.818 138 1HB GLU 19 1HB GLU 19 -9.974 -4.363 -1.353 139 2HB GLU 19 2HB GLU 19 -10.163 -3.706 -2.967 140 1HG GLU 19 1HG GLU 19 -10.030 -6.668 -2.925 141 2HG GLU 19 2HG GLU 19 -11.379 -6.027 -2.008 142 H ALA 20 H ALA 20 -7.976 -2.281 -2.943 143 HA ALA 20 HA ALA 20 -8.073 -2.048 -5.706 144 1HB ALA 20 1HB ALA 20 -6.849 -0.376 -3.490 145 2HB ALA 20 2HB ALA 20 -6.822 0.141 -5.193 146 3HB ALA 20 3HB ALA 20 -8.377 -0.110 -4.364 147 H LEU 21 H LEU 21 -5.368 -2.763 -3.454 148 HA LEU 21 HA LEU 21 -3.305 -2.439 -5.304 149 1HB LEU 21 1HB LEU 21 -3.691 -3.518 -2.626 150 2HB LEU 21 2HB LEU 21 -2.495 -4.421 -3.535 151 HG LEU 21 HG LEU 21 -2.205 -1.479 -3.675 152 1HD1 LEU 21 1HD1 LEU 21 -1.706 -1.000 -1.511 153 2HD1 LEU 21 2HD1 LEU 21 -2.939 -2.253 -1.231 154 3HD1 LEU 21 3HD1 LEU 21 -1.211 -2.667 -1.132 155 1HD2 LEU 21 1HD2 LEU 21 0.182 -2.587 -2.860 156 2HD2 LEU 21 2HD2 LEU 21 -0.559 -3.895 -3.813 157 3HD2 LEU 21 3HD2 LEU 21 -0.316 -2.290 -4.543 158 H ALA 22 H ALA 22 -5.043 -5.450 -4.238 159 HA ALA 22 HA ALA 22 -3.782 -7.167 -5.990 160 1HB ALA 22 1HB ALA 22 -6.355 -7.093 -4.465 161 2HB ALA 22 2HB ALA 22 -6.203 -8.316 -5.750 162 3HB ALA 22 3HB ALA 22 -5.029 -8.279 -4.412 163 H GLN 23 H GLN 23 -6.760 -5.157 -6.429 164 HA GLN 23 HA GLN 23 -7.410 -6.112 -8.918 165 1HB GLN 23 1HB GLN 23 -7.924 -3.542 -7.428 166 2HB GLN 23 2HB GLN 23 -8.376 -3.625 -9.119 167 1HG GLN 23 1HG GLN 23 -9.291 -6.068 -7.998 168 2HG GLN 23 2HG GLN 23 -9.676 -4.850 -6.798 169 1HE2 GLN 23 1HE2 GLN 23 -11.811 -5.844 -7.676 170 2HE2 GLN 23 2HE2 GLN 23 -12.625 -4.924 -8.897 171 H ALA 24 H ALA 24 -5.158 -3.479 -7.924 172 HA ALA 24 HA ALA 24 -4.597 -2.739 -10.629 173 1HB ALA 24 1HB ALA 24 -4.126 -0.912 -9.379 174 2HB ALA 24 2HB ALA 24 -3.920 -1.872 -7.894 175 3HB ALA 24 3HB ALA 24 -2.572 -1.713 -9.045 176 H ARG 25 H ARG 25 -3.934 -5.501 -8.889 177 HA ARG 25 HA ARG 25 -2.436 -7.063 -8.963 178 1HB ARG 25 1HB ARG 25 -2.501 -5.975 -11.752 179 2HB ARG 25 2HB ARG 25 -1.135 -7.014 -11.394 180 1HG ARG 25 1HG ARG 25 -3.395 -8.319 -10.255 181 2HG ARG 25 2HG ARG 25 -3.934 -7.738 -11.818 182 1HD ARG 25 1HD ARG 25 -1.657 -8.748 -12.709 183 2HD ARG 25 2HD ARG 25 -1.651 -9.643 -11.202 184 HE ARG 25 HE ARG 25 -3.391 -10.115 -13.483 185 1HH1 ARG 25 2HH2 ARG 25 -3.202 -10.378 -9.979 186 2HH1 ARG 25 1HH2 ARG 25 -4.370 -11.654 -9.884 187 1HH2 ARG 25 2HH1 ARG 25 -4.932 -11.798 -13.358 188 2HH2 ARG 25 1HH1 ARG 25 -5.361 -12.467 -11.819 189 H ALA 26 H ALA 26 -1.503 -4.689 -7.687 190 HA ALA 26 HA ALA 26 0.844 -3.602 -8.536 191 1HB ALA 26 1HB ALA 26 0.190 -4.413 -5.677 192 2HB ALA 26 2HB ALA 26 1.228 -3.068 -6.207 193 3HB ALA 26 3HB ALA 26 -0.526 -3.008 -6.502 194 H GLY 27 H GLY 27 0.664 -6.358 -6.166 195 1HA GLY 27 1HA GLY 27 1.951 -8.367 -7.045 196 2HA GLY 27 2HA GLY 27 3.288 -7.244 -7.189 197 H ALA 28 H ALA 28 4.712 -7.855 -5.587 198 HA ALA 28 HA ALA 28 3.631 -8.484 -2.960 199 1HB ALA 28 1HB ALA 28 5.225 -10.070 -3.433 200 2HB ALA 28 2HB ALA 28 6.166 -8.973 -4.473 201 3HB ALA 28 3HB ALA 28 6.286 -8.842 -2.702 202 H PHE 29 H PHE 29 4.479 -7.425 -1.018 203 HA PHE 29 HA PHE 29 6.060 -5.088 -1.272 204 1HB PHE 29 1HB PHE 29 4.152 -3.561 -0.499 205 2HB PHE 29 2HB PHE 29 3.936 -4.164 -2.131 206 HD1 PHE 29 HD1 PHE 29 2.875 -4.655 1.380 207 HD2 PHE 29 HD2 PHE 29 2.057 -5.479 -2.702 208 HE1 PHE 29 HE1 PHE 29 0.625 -5.568 2.015 209 HE2 PHE 29 HE2 PHE 29 -0.193 -6.392 -2.067 210 HZ PHE 29 HZ PHE 29 -0.882 -6.425 0.284 211 H PHE 30 H PHE 30 5.411 -3.707 1.026 212 HA PHE 30 HA PHE 30 5.592 -5.815 3.063 213 1HB PHE 30 1HB PHE 30 6.831 -3.027 2.720 214 2HB PHE 30 2HB PHE 30 6.857 -3.844 4.270 215 HD1 PHE 30 HD1 PHE 30 8.812 -4.931 4.788 216 HD2 PHE 30 HD2 PHE 30 7.662 -4.677 0.711 217 HE1 PHE 30 HE1 PHE 30 10.914 -6.130 4.121 218 HE2 PHE 30 HE2 PHE 30 9.764 -5.876 0.044 219 HZ PHE 30 HZ PHE 30 11.365 -6.588 1.757 220 H SER 31 H SER 31 4.652 -5.336 5.179 221 HA SER 31 HA SER 31 2.637 -3.234 5.000 222 1HB SER 31 1HB SER 31 2.306 -6.097 5.410 223 2HB SER 31 2HB SER 31 1.715 -5.229 6.813 224 HG SER 31 HG SER 31 0.011 -5.411 5.305 225 H VAL 32 H VAL 32 2.336 -1.963 6.889 226 HA VAL 32 HA VAL 32 3.983 -2.706 9.194 227 HB VAL 32 HB VAL 32 3.874 -0.009 7.830 228 1HG1 VAL 32 1HG1 VAL 32 5.347 0.810 9.564 229 2HG1 VAL 32 2HG1 VAL 32 3.883 0.139 10.321 230 3HG1 VAL 32 3HG1 VAL 32 5.400 -0.793 10.335 231 1HG2 VAL 32 1HG2 VAL 32 6.204 -1.912 8.249 232 2HG2 VAL 32 2HG2 VAL 32 5.332 -1.667 6.717 233 3HG2 VAL 32 3HG2 VAL 32 6.260 -0.329 7.437 234 H PHE 33 H PHE 33 3.022 -2.310 11.182 235 HA PHE 33 HA PHE 33 0.263 -1.363 11.002 236 1HB PHE 33 1HB PHE 33 1.738 -2.724 13.324 237 2HB PHE 33 2HB PHE 33 0.004 -2.663 13.077 238 HD1 PHE 33 HD1 PHE 33 3.081 -4.390 12.256 239 HD2 PHE 33 HD2 PHE 33 -1.043 -4.058 11.313 240 HE1 PHE 33 HE1 PHE 33 3.169 -6.609 11.086 241 HE2 PHE 33 HE2 PHE 33 -0.955 -6.277 10.143 242 HZ PHE 33 HZ PHE 33 1.151 -7.526 10.043 243 H ILE 34 H ILE 34 -0.137 0.707 11.606 244 HA ILE 34 HA ILE 34 1.840 2.224 12.959 245 HB ILE 34 HB ILE 34 0.334 4.040 12.736 246 1HG1 ILE 34 1HG1 ILE 34 -1.928 2.336 11.760 247 2HG1 ILE 34 2HG1 ILE 34 -1.667 2.471 13.487 248 1HG2 ILE 34 1HG2 ILE 34 -0.206 2.391 10.272 249 2HG2 ILE 34 2HG2 ILE 34 0.105 4.138 10.412 250 3HG2 ILE 34 3HG2 ILE 34 1.428 2.975 10.670 251 1HD1 ILE 34 1HD1 ILE 34 -3.235 4.216 12.683 252 2HD1 ILE 34 2HD1 ILE 34 -1.747 4.951 13.327 253 3HD1 ILE 34 3HD1 ILE 34 -1.988 4.826 11.568 254 H ASP 35 H ASP 35 -0.518 -0.043 13.987 255 HA ASP 35 HA ASP 35 -1.585 0.957 16.219 256 1HB ASP 35 1HB ASP 35 -1.835 -1.283 16.969 257 2HB ASP 35 2HB ASP 35 -1.720 -1.426 15.226 258 H ASP 36 H ASP 36 -0.898 0.526 18.607 259 HA ASP 36 HA ASP 36 0.454 1.079 20.224 260 1HB ASP 36 1HB ASP 36 1.245 -1.314 19.343 261 2HB ASP 36 2HB ASP 36 2.700 -0.450 18.888 262 H ASP 37 H ASP 37 0.410 3.187 18.489 263 HA ASP 37 HA ASP 37 2.903 4.373 18.888 264 1HB ASP 37 1HB ASP 37 2.925 2.831 16.612 265 2HB ASP 37 2HB ASP 37 2.322 4.338 15.952 266 H ALA 38 H ALA 38 1.714 6.153 19.724 267 HA ALA 38 HA ALA 38 -0.635 7.119 18.484 268 1HB ALA 38 1HB ALA 38 0.099 9.147 20.085 269 2HB ALA 38 2HB ALA 38 -0.590 7.635 20.725 270 3HB ALA 38 3HB ALA 38 1.171 7.888 20.744 271 H ALA 39 H ALA 39 2.853 7.844 18.232 272 HA ALA 39 HA ALA 39 2.678 10.310 16.979 273 1HB ALA 39 1HB ALA 39 4.789 8.372 16.124 274 2HB ALA 39 2HB ALA 39 4.942 10.052 16.691 275 3HB ALA 39 3HB ALA 39 4.678 8.738 17.862 276 H LEU 40 H LEU 40 2.744 6.962 15.585 277 HA LEU 40 HA LEU 40 2.513 7.866 12.925 278 1HB LEU 40 1HB LEU 40 1.861 5.180 14.144 279 2HB LEU 40 2HB LEU 40 2.028 5.514 12.432 280 HG LEU 40 HG LEU 40 4.255 5.867 14.456 281 1HD1 LEU 40 1HD1 LEU 40 5.196 3.786 13.538 282 2HD1 LEU 40 2HD1 LEU 40 3.632 3.523 14.347 283 3HD1 LEU 40 3HD1 LEU 40 3.721 3.556 12.570 284 1HD2 LEU 40 1HD2 LEU 40 4.946 5.489 11.633 285 2HD2 LEU 40 2HD2 LEU 40 4.022 6.976 11.951 286 3HD2 LEU 40 3HD2 LEU 40 5.546 6.672 12.820 287 H GLU 41 H GLU 41 0.169 6.948 15.483 288 HA GLU 41 HA GLU 41 -2.051 6.859 13.839 289 1HB GLU 41 1HB GLU 41 -1.640 7.373 16.796 290 2HB GLU 41 2HB GLU 41 -3.247 7.473 16.104 291 1HG GLU 41 1HG GLU 41 -1.617 5.051 15.387 292 2HG GLU 41 2HG GLU 41 -2.193 5.151 17.039 293 H SER 42 H SER 42 -0.524 9.573 15.670 294 HA SER 42 HA SER 42 -2.533 11.402 14.930 295 1HB SER 42 1HB SER 42 -0.354 11.344 16.719 296 2HB SER 42 2HB SER 42 0.065 12.607 15.579 297 HG SER 42 HG SER 42 -2.082 12.479 17.438 298 H ALA 43 H ALA 43 0.478 10.203 13.500 299 HA ALA 43 HA ALA 43 0.786 12.386 11.684 300 1HB ALA 43 1HB ALA 43 2.824 11.412 11.883 301 2HB ALA 43 2HB ALA 43 2.134 9.848 12.376 302 3HB ALA 43 3HB ALA 43 2.225 10.276 10.651 303 H TYR 44 H TYR 44 -0.593 9.050 11.591 304 HA TYR 44 HA TYR 44 -1.687 9.712 8.942 305 1HB TYR 44 1HB TYR 44 -1.185 7.056 10.427 306 2HB TYR 44 2HB TYR 44 -1.789 7.171 8.786 307 HD1 TYR 44 HD1 TYR 44 -0.152 8.892 7.309 308 HD2 TYR 44 HD2 TYR 44 1.018 6.373 10.562 309 HE1 TYR 44 HE1 TYR 44 2.236 8.859 6.434 310 HE2 TYR 44 HE2 TYR 44 3.401 6.348 9.677 311 HH TYR 44 HH TYR 44 4.266 6.911 6.821 312 H GLY 45 H GLY 45 -2.473 7.581 11.788 313 1HA GLY 45 1HA GLY 45 -4.439 7.104 12.769 314 2HA GLY 45 2HA GLY 45 -4.825 8.799 12.546 315 H LEU 46 H LEU 46 -6.042 9.497 10.670 316 HA LEU 46 HA LEU 46 -7.882 7.512 9.787 317 1HB LEU 46 1HB LEU 46 -7.801 10.309 10.047 318 2HB LEU 46 2HB LEU 46 -8.004 10.002 8.333 319 HG LEU 46 HG LEU 46 -10.156 10.292 9.408 320 1HD1 LEU 46 1HD1 LEU 46 -10.099 7.348 8.865 321 2HD1 LEU 46 2HD1 LEU 46 -11.261 8.589 8.337 322 3HD1 LEU 46 3HD1 LEU 46 -9.660 8.484 7.567 323 1HD2 LEU 46 1HD2 LEU 46 -8.985 8.824 11.529 324 2HD2 LEU 46 2HD2 LEU 46 -10.595 9.579 11.460 325 3HD2 LEU 46 3HD2 LEU 46 -10.383 7.887 10.950 326 H ARG 47 H ARG 47 -4.888 8.958 8.584 327 HA ARG 47 HA ARG 47 -5.399 7.921 5.955 328 1HB ARG 47 1HB ARG 47 -3.092 9.499 7.185 329 2HB ARG 47 2HB ARG 47 -3.022 8.885 5.545 330 1HG ARG 47 1HG ARG 47 -4.186 10.692 4.833 331 2HG ARG 47 2HG ARG 47 -5.561 10.169 5.786 332 1HD ARG 47 1HD ARG 47 -5.037 11.581 7.587 333 2HD ARG 47 2HD ARG 47 -3.320 11.582 7.232 334 HE ARG 47 HE ARG 47 -4.722 12.825 5.055 335 1HH1 ARG 47 2HH2 ARG 47 -3.820 13.417 8.404 336 2HH1 ARG 47 1HH2 ARG 47 -3.807 15.141 8.229 337 1HH2 ARG 47 2HH1 ARG 47 -4.706 15.098 4.824 338 2HH2 ARG 47 1HH1 ARG 47 -4.315 16.103 6.179 339 H VAL 48 H VAL 48 -5.253 5.991 8.144 340 HA VAL 48 HA VAL 48 -2.736 4.858 8.453 341 HB VAL 48 HB VAL 48 -5.543 4.157 8.930 342 1HG1 VAL 48 1HG1 VAL 48 -4.900 2.218 7.550 343 2HG1 VAL 48 2HG1 VAL 48 -3.510 1.921 8.621 344 3HG1 VAL 48 3HG1 VAL 48 -5.168 1.761 9.249 345 1HG2 VAL 48 1HG2 VAL 48 -3.091 3.394 10.532 346 2HG2 VAL 48 2HG2 VAL 48 -3.794 5.029 10.578 347 3HG2 VAL 48 3HG2 VAL 48 -4.762 3.629 11.100 348 HA PRO 49 HA PRO 49 -3.838 2.279 4.641 349 1HB PRO 49 1HB PRO 49 -5.971 2.982 3.084 350 2HB PRO 49 2HB PRO 49 -6.058 1.753 4.331 351 1HG PRO 49 1HG PRO 49 -7.110 4.516 4.375 352 2HG PRO 49 2HG PRO 49 -7.540 3.161 5.400 353 1HD PRO 49 1HD PRO 49 -5.859 5.377 6.101 354 2HD PRO 49 2HD PRO 49 -6.196 3.966 7.083 355 H VAL 50 H VAL 50 -1.925 3.914 4.650 356 HA VAL 50 HA VAL 50 -2.231 5.513 2.207 357 HB VAL 50 HB VAL 50 -0.747 5.852 4.764 358 1HG1 VAL 50 1HG1 VAL 50 0.620 7.662 3.404 359 2HG1 VAL 50 2HG1 VAL 50 1.195 5.983 3.535 360 3HG1 VAL 50 3HG1 VAL 50 0.360 6.525 2.060 361 1HG2 VAL 50 1HG2 VAL 50 -2.006 7.858 2.865 362 2HG2 VAL 50 2HG2 VAL 50 -2.852 7.077 4.223 363 3HG2 VAL 50 3HG2 VAL 50 -1.467 8.149 4.537 364 H LEU 51 H LEU 51 -1.053 4.982 0.419 365 HA LEU 51 HA LEU 51 0.724 2.687 0.711 366 1HB LEU 51 1HB LEU 51 -1.272 3.374 -1.120 367 2HB LEU 51 2HB LEU 51 0.230 3.599 -1.995 368 HG LEU 51 HG LEU 51 -0.752 1.067 -0.659 369 1HD1 LEU 51 1HD1 LEU 51 -1.798 1.519 -2.799 370 2HD1 LEU 51 2HD1 LEU 51 -0.206 1.763 -3.558 371 3HD1 LEU 51 3HD1 LEU 51 -0.665 0.154 -2.948 372 1HD2 LEU 51 1HD2 LEU 51 1.967 1.907 -1.198 373 2HD2 LEU 51 2HD2 LEU 51 1.362 0.455 -0.365 374 3HD2 LEU 51 3HD2 LEU 51 1.542 0.455 -2.136 375 H ARG 52 H ARG 52 2.893 2.933 0.725 376 HA ARG 52 HA ARG 52 3.886 5.408 -0.441 377 1HB ARG 52 1HB ARG 52 3.989 5.343 2.103 378 2HB ARG 52 2HB ARG 52 5.051 3.954 1.986 379 1HG ARG 52 1HG ARG 52 6.118 5.966 0.235 380 2HG ARG 52 2HG ARG 52 5.717 6.766 1.743 381 1HD ARG 52 1HD ARG 52 6.910 4.543 2.763 382 2HD ARG 52 2HD ARG 52 7.734 4.598 1.218 383 HE ARG 52 HE ARG 52 7.673 7.209 2.516 384 1HH1 ARG 52 2HH2 ARG 52 9.369 4.127 2.407 385 2HH1 ARG 52 1HH2 ARG 52 10.855 4.779 3.013 386 1HH2 ARG 52 2HH1 ARG 52 9.633 8.068 3.316 387 2HH2 ARG 52 1HH1 ARG 52 11.007 7.035 3.534 388 H ASP 53 H ASP 53 5.957 5.250 -1.549 389 HA ASP 53 HA ASP 53 6.671 2.480 -2.110 390 1HB ASP 53 1HB ASP 53 7.794 3.776 -4.182 391 2HB ASP 53 2HB ASP 53 6.122 3.254 -4.216 392 HA PRO 54 HA PRO 54 10.735 3.496 -0.811 393 1HB PRO 54 1HB PRO 54 12.356 2.058 -2.475 394 2HB PRO 54 2HB PRO 54 11.508 1.349 -1.116 395 1HG PRO 54 1HG PRO 54 10.894 1.133 -4.000 396 2HG PRO 54 2HG PRO 54 10.343 0.119 -2.681 397 1HD PRO 54 1HD PRO 54 8.833 2.149 -4.033 398 2HD PRO 54 2HD PRO 54 8.323 1.216 -2.640 399 H MET 55 H MET 55 9.798 4.329 -3.954 400 HA MET 55 HA MET 55 12.163 5.618 -4.696 401 1HB MET 55 1HB MET 55 9.267 5.587 -5.550 402 2HB MET 55 2HB MET 55 10.225 6.944 -6.109 403 1HG MET 55 1HG MET 55 10.971 4.004 -6.504 404 2HG MET 55 2HG MET 55 10.243 5.024 -7.728 405 1HE MET 55 1HE MET 55 14.451 4.278 -7.142 406 2HE MET 55 2HE MET 55 12.971 3.385 -6.716 407 3HE MET 55 3HE MET 55 13.348 3.719 -8.423 408 H GLY 56 H GLY 56 9.422 6.524 -2.642 409 1HA GLY 56 1HA GLY 56 9.831 8.237 -1.007 410 2HA GLY 56 2HA GLY 56 10.690 9.160 -2.224 411 H ARG 57 H ARG 57 7.541 7.375 -2.455 412 HA ARG 57 HA ARG 57 6.207 9.920 -2.643 413 1HB ARG 57 1HB ARG 57 5.804 7.778 -4.785 414 2HB ARG 57 2HB ARG 57 5.111 9.387 -4.767 415 1HG ARG 57 1HG ARG 57 7.677 10.147 -4.658 416 2HG ARG 57 2HG ARG 57 7.961 8.556 -5.334 417 1HD ARG 57 1HD ARG 57 7.575 9.558 -7.355 418 2HD ARG 57 2HD ARG 57 5.880 9.426 -6.931 419 HE ARG 57 HE ARG 57 7.558 11.874 -6.708 420 1HH1 ARG 57 2HH2 ARG 57 4.423 10.331 -6.292 421 2HH1 ARG 57 1HH2 ARG 57 3.561 11.828 -6.165 422 1HH2 ARG 57 2HH1 ARG 57 6.421 13.849 -6.541 423 2HH2 ARG 57 1HH1 ARG 57 4.705 13.842 -6.308 424 H GLU 58 H GLU 58 3.780 9.661 -2.471 425 HA GLU 58 HA GLU 58 3.036 7.033 -1.479 426 1HB GLU 58 1HB GLU 58 2.504 9.688 -0.079 427 2HB GLU 58 2HB GLU 58 1.721 8.184 0.361 428 1HG GLU 58 1HG GLU 58 4.144 7.210 0.567 429 2HG GLU 58 2HG GLU 58 4.675 8.880 0.551 430 H LEU 59 H LEU 59 0.498 6.949 -1.203 431 HA LEU 59 HA LEU 59 -0.726 8.596 -3.298 432 1HB LEU 59 1HB LEU 59 -0.144 6.371 -4.180 433 2HB LEU 59 2HB LEU 59 -1.100 5.622 -2.916 434 HG LEU 59 HG LEU 59 -3.123 6.794 -3.825 435 1HD1 LEU 59 1HD1 LEU 59 -1.946 8.636 -4.960 436 2HD1 LEU 59 2HD1 LEU 59 -1.308 7.479 -6.153 437 3HD1 LEU 59 3HD1 LEU 59 -3.061 7.770 -6.044 438 1HD2 LEU 59 1HD2 LEU 59 -2.187 5.246 -6.148 439 2HD2 LEU 59 2HD2 LEU 59 -1.974 4.436 -4.577 440 3HD2 LEU 59 3HD2 LEU 59 -3.588 4.995 -5.079 441 H ASP 60 H ASP 60 -2.937 9.136 -2.953 442 HA ASP 60 HA ASP 60 -3.580 9.492 -0.291 443 1HB ASP 60 1HB ASP 60 -4.664 10.152 -2.885 444 2HB ASP 60 2HB ASP 60 -5.973 9.512 -1.911 445 H TRP 61 H TRP 61 -4.857 8.238 1.144 446 HA TRP 61 HA TRP 61 -5.100 5.566 0.887 447 1HB TRP 61 1HB TRP 61 -5.621 6.052 2.990 448 2HB TRP 61 2HB TRP 61 -6.250 7.635 2.578 449 HD1 TRP 61 HD1 TRP 61 -8.664 7.711 3.577 450 HE1 TRP 61 HE1 TRP 61 -10.837 6.215 3.612 451 HE3 TRP 61 HE3 TRP 61 -6.603 3.742 1.158 452 HZ2 TRP 61 HZ2 TRP 61 -11.437 3.598 2.645 453 HZ3 TRP 61 HZ3 TRP 61 -8.051 1.756 0.743 454 HH2 TRP 61 HH2 TRP 61 -10.390 1.643 1.443 455 HA PRO 62 HA PRO 62 -9.341 6.185 -1.144 456 1HB PRO 62 1HB PRO 62 -10.178 8.687 -1.856 457 2HB PRO 62 2HB PRO 62 -10.634 7.917 -0.350 458 1HG PRO 62 1HG PRO 62 -8.679 10.087 -0.804 459 2HG PRO 62 2HG PRO 62 -9.453 9.602 0.691 460 1HD PRO 62 1HD PRO 62 -6.760 9.028 -0.111 461 2HD PRO 62 2HD PRO 62 -7.570 8.447 1.330 462 H PHE 63 H PHE 63 -8.585 5.017 -2.843 463 HA PHE 63 HA PHE 63 -8.020 6.691 -5.163 464 1HB PHE 63 1HB PHE 63 -6.213 4.711 -5.549 465 2HB PHE 63 2HB PHE 63 -5.787 6.130 -4.613 466 HD1 PHE 63 HD1 PHE 63 -7.903 3.240 -3.600 467 HD2 PHE 63 HD2 PHE 63 -4.252 5.334 -3.054 468 HE1 PHE 63 HE1 PHE 63 -7.359 1.779 -1.632 469 HE2 PHE 63 HE2 PHE 63 -3.709 3.873 -1.086 470 HZ PHE 63 HZ PHE 63 -5.269 2.113 -0.399 471 H ASP 64 H ASP 64 -7.469 4.738 -7.036 472 HA ASP 64 HA ASP 64 -9.775 2.973 -6.789 473 1HB ASP 64 1HB ASP 64 -8.757 4.182 -9.395 474 2HB ASP 64 2HB ASP 64 -10.247 3.291 -9.157 475 H ALA 65 H ALA 65 -9.399 1.439 -9.115 476 HA ALA 65 HA ALA 65 -7.078 -0.078 -8.408 477 1HB ALA 65 1HB ALA 65 -9.559 -0.406 -9.913 478 2HB ALA 65 2HB ALA 65 -8.167 -1.085 -10.790 479 3HB ALA 65 3HB ALA 65 -8.532 -1.635 -9.137 480 HA PRO 66 HA PRO 66 -5.751 1.565 -12.645 481 1HB PRO 66 1HB PRO 66 -7.170 3.570 -13.843 482 2HB PRO 66 2HB PRO 66 -7.403 1.874 -14.218 483 1HG PRO 66 1HG PRO 66 -9.119 3.670 -12.615 484 2HG PRO 66 2HG PRO 66 -9.524 2.131 -13.349 485 1HD PRO 66 1HD PRO 66 -8.979 2.618 -10.576 486 2HD PRO 66 2HD PRO 66 -9.270 1.063 -11.329 487 H ARG 67 H ARG 67 -6.937 3.669 -10.228 488 HA ARG 67 HA ARG 67 -5.087 5.715 -10.933 489 1HB ARG 67 1HB ARG 67 -7.464 5.661 -9.509 490 2HB ARG 67 2HB ARG 67 -6.298 5.738 -8.202 491 1HG ARG 67 1HG ARG 67 -5.463 7.834 -8.876 492 2HG ARG 67 2HG ARG 67 -5.942 7.610 -10.547 493 1HD ARG 67 1HD ARG 67 -8.284 7.557 -8.776 494 2HD ARG 67 2HD ARG 67 -7.365 9.033 -8.551 495 HE ARG 67 HE ARG 67 -7.681 8.441 -11.371 496 1HH1 ARG 67 2HH2 ARG 67 -9.386 9.735 -8.578 497 2HH1 ARG 67 1HH2 ARG 67 -10.465 10.704 -9.526 498 1HH2 ARG 67 2HH1 ARG 67 -9.104 9.719 -12.622 499 2HH2 ARG 67 1HH1 ARG 67 -10.304 10.694 -11.841 500 H LEU 68 H LEU 68 -5.302 2.923 -8.738 501 HA LEU 68 HA LEU 68 -3.052 3.745 -7.158 502 1HB LEU 68 1HB LEU 68 -4.978 2.435 -6.294 503 2HB LEU 68 2HB LEU 68 -4.481 1.087 -7.297 504 HG LEU 68 HG LEU 68 -2.208 1.867 -5.773 505 1HD1 LEU 68 1HD1 LEU 68 -3.081 2.782 -3.931 506 2HD1 LEU 68 2HD1 LEU 68 -4.733 2.260 -4.338 507 3HD1 LEU 68 3HD1 LEU 68 -3.618 1.133 -3.529 508 1HD2 LEU 68 1HD2 LEU 68 -3.272 -0.428 -6.673 509 2HD2 LEU 68 2HD2 LEU 68 -2.051 -0.355 -5.380 510 3HD2 LEU 68 3HD2 LEU 68 -3.774 -0.523 -4.968 511 H ARG 69 H ARG 69 -3.734 1.555 -9.922 512 HA ARG 69 HA ARG 69 -1.215 0.376 -9.906 513 1HB ARG 69 1HB ARG 69 -3.442 -0.285 -11.161 514 2HB ARG 69 2HB ARG 69 -2.872 0.785 -12.426 515 1HG ARG 69 1HG ARG 69 -0.778 -1.074 -11.460 516 2HG ARG 69 2HG ARG 69 -2.170 -1.904 -12.126 517 1HD ARG 69 1HD ARG 69 -1.451 0.369 -13.822 518 2HD ARG 69 2HD ARG 69 -0.056 -0.660 -13.572 519 HE ARG 69 HE ARG 69 -2.415 -1.314 -15.124 520 1HH1 ARG 69 2HH2 ARG 69 0.080 -2.739 -13.093 521 2HH1 ARG 69 1HH2 ARG 69 -0.037 -4.304 -13.827 522 1HH2 ARG 69 2HH1 ARG 69 -2.570 -3.378 -16.092 523 2HH2 ARG 69 1HH1 ARG 69 -1.555 -4.669 -15.544 524 H ALA 70 H ALA 70 -2.639 3.174 -11.717 525 HA ALA 70 HA ALA 70 -0.441 3.709 -13.328 526 1HB ALA 70 1HB ALA 70 -2.867 5.147 -12.349 527 2HB ALA 70 2HB ALA 70 -1.552 6.153 -13.002 528 3HB ALA 70 3HB ALA 70 -2.286 4.883 -14.011 529 H TRP 71 H TRP 71 -1.106 4.377 -9.901 530 HA TRP 71 HA TRP 71 0.946 6.325 -9.620 531 1HB TRP 71 1HB TRP 71 -0.856 6.393 -8.095 532 2HB TRP 71 2HB TRP 71 -0.691 4.697 -7.687 533 HD1 TRP 71 HD1 TRP 71 1.079 8.080 -7.028 534 HE1 TRP 71 HE1 TRP 71 2.573 7.956 -4.856 535 HE3 TRP 71 HE3 TRP 71 0.479 3.089 -6.262 536 HZ2 TRP 71 HZ2 TRP 71 3.319 5.833 -3.101 537 HZ3 TRP 71 HZ3 TRP 71 1.624 2.069 -4.296 538 HH2 TRP 71 HH2 TRP 71 3.005 3.357 -2.744 539 H LEU 72 H LEU 72 0.653 2.768 -9.453 540 HA LEU 72 HA LEU 72 3.164 2.357 -8.209 541 1HB LEU 72 1HB LEU 72 1.304 0.569 -9.771 542 2HB LEU 72 2HB LEU 72 2.802 0.004 -9.060 543 HG LEU 72 HG LEU 72 0.840 1.415 -7.292 544 1HD1 LEU 72 1HD1 LEU 72 0.039 -1.143 -6.940 545 2HD1 LEU 72 2HD1 LEU 72 -0.800 0.032 -7.982 546 3HD1 LEU 72 3HD1 LEU 72 0.333 -1.141 -8.696 547 1HD2 LEU 72 1HD2 LEU 72 2.606 -0.991 -6.781 548 2HD2 LEU 72 2HD2 LEU 72 3.109 0.696 -6.518 549 3HD2 LEU 72 3HD2 LEU 72 1.756 0.015 -5.584 550 H ASP 73 H ASP 73 1.991 2.226 -11.635 551 HA ASP 73 HA ASP 73 4.347 1.467 -12.765 552 1HB ASP 73 1HB ASP 73 1.852 2.763 -13.608 553 2HB ASP 73 2HB ASP 73 3.208 3.365 -14.540 554 H ALA 74 H ALA 74 3.228 4.625 -11.524 555 HA ALA 74 HA ALA 74 4.954 6.346 -12.795 556 1HB ALA 74 1HB ALA 74 4.433 6.789 -9.892 557 2HB ALA 74 2HB ALA 74 4.156 7.866 -11.282 558 3HB ALA 74 3HB ALA 74 3.003 6.557 -10.925 559 H ALA 75 H ALA 75 5.589 3.849 -10.399 560 HA ALA 75 HA ALA 75 8.382 4.760 -10.326 561 1HB ALA 75 1HB ALA 75 6.491 4.050 -8.130 562 2HB ALA 75 2HB ALA 75 8.147 3.412 -7.989 563 3HB ALA 75 3HB ALA 75 7.879 5.166 -8.130 564 HA PRO 76 HA PRO 76 8.418 0.678 -12.087 565 1HB PRO 76 1HB PRO 76 10.606 1.051 -13.681 566 2HB PRO 76 2HB PRO 76 8.968 1.369 -14.214 567 1HG PRO 76 1HG PRO 76 11.076 3.296 -13.450 568 2HG PRO 76 2HG PRO 76 9.612 3.578 -14.371 569 1HD PRO 76 1HD PRO 76 10.070 4.265 -11.624 570 2HD PRO 76 2HD PRO 76 8.569 4.441 -12.513 571 H HIS 77 H HIS 77 10.134 -1.097 -12.268 572 HA HIS 77 HA HIS 77 12.485 -0.851 -10.875 573 1HB HIS 77 1HB HIS 77 10.441 -0.584 -9.066 574 2HB HIS 77 2HB HIS 77 10.748 -2.307 -8.984 575 HD1 HIS 77 HD1 HIS 77 11.409 -0.897 -6.473 576 HD2 HIS 77 HD2 HIS 77 14.160 -1.122 -9.632 577 HE1 HIS 77 HE1 HIS 77 13.712 -0.513 -5.444 578 H ALA 78 H ALA 78 13.629 -2.881 -10.796 579 HA ALA 78 HA ALA 78 12.151 -5.059 -12.109 580 1HB ALA 78 1HB ALA 78 13.614 -4.779 -13.799 581 2HB ALA 78 2HB ALA 78 14.591 -3.630 -12.853 582 3HB ALA 78 3HB ALA 78 14.872 -5.380 -12.693 Start of MODEL 13 1 1H MET 1 1H MET 1 9.013 -1.974 -5.702 2 HA MET 1 HA MET 1 7.661 -3.913 -7.018 3 1HB MET 1 1HB MET 1 10.350 -4.805 -5.972 4 2HB MET 1 2HB MET 1 9.010 -5.903 -5.706 5 1HG MET 1 1HG MET 1 8.492 -5.886 -8.147 6 2HG MET 1 2HG MET 1 9.797 -4.751 -8.428 7 1HE MET 1 1HE MET 1 11.129 -7.991 -9.966 8 2HE MET 1 2HE MET 1 9.976 -6.650 -10.170 9 3HE MET 1 3HE MET 1 11.706 -6.307 -9.926 10 H ALA 2 H ALA 2 9.525 -4.205 -3.907 11 HA ALA 2 HA ALA 2 7.174 -4.827 -2.456 12 1HB ALA 2 1HB ALA 2 9.407 -5.666 -1.853 13 2HB ALA 2 2HB ALA 2 9.962 -4.002 -1.550 14 3HB ALA 2 3HB ALA 2 8.708 -4.725 -0.514 15 H LEU 3 H LEU 3 5.656 -3.473 -1.639 16 HA LEU 3 HA LEU 3 6.400 -0.637 -1.465 17 1HB LEU 3 1HB LEU 3 3.837 -2.025 -2.192 18 2HB LEU 3 2HB LEU 3 3.829 -0.381 -1.584 19 HG LEU 3 HG LEU 3 5.732 -0.829 -3.790 20 1HD1 LEU 3 1HD1 LEU 3 2.825 -0.809 -4.562 21 2HD1 LEU 3 2HD1 LEU 3 4.255 -1.220 -5.539 22 3HD1 LEU 3 3HD1 LEU 3 3.688 -2.339 -4.276 23 1HD2 LEU 3 1HD2 LEU 3 5.113 1.316 -4.438 24 2HD2 LEU 3 2HD2 LEU 3 3.506 1.193 -3.684 25 3HD2 LEU 3 3HD2 LEU 3 4.956 1.366 -2.666 26 H THR 4 H THR 4 4.538 0.410 0.171 27 HA THR 4 HA THR 4 4.473 -1.282 2.562 28 HB THR 4 HB THR 4 5.603 1.561 2.371 29 HG1 THR 4 HG1 THR 4 7.399 0.304 2.074 30 1HG2 THR 4 1HG2 THR 4 4.653 1.419 4.568 31 2HG2 THR 4 2HG2 THR 4 5.020 -0.317 4.701 32 3HG2 THR 4 3HG2 THR 4 6.334 0.880 4.794 33 H LEU 5 H LEU 5 2.369 -1.539 2.974 34 HA LEU 5 HA LEU 5 0.677 0.835 2.620 35 1HB LEU 5 1HB LEU 5 -0.124 -0.734 1.127 36 2HB LEU 5 2HB LEU 5 0.211 -2.087 2.190 37 HG LEU 5 HG LEU 5 -1.652 -0.934 3.695 38 1HD1 LEU 5 1HD1 LEU 5 -1.723 0.686 1.374 39 2HD1 LEU 5 2HD1 LEU 5 -3.205 -0.299 1.372 40 3HD1 LEU 5 3HD1 LEU 5 -2.813 0.717 2.781 41 1HD2 LEU 5 1HD2 LEU 5 -3.094 -2.595 3.021 42 2HD2 LEU 5 2HD2 LEU 5 -2.678 -2.416 1.300 43 3HD2 LEU 5 3HD2 LEU 5 -1.541 -3.216 2.412 44 H TYR 6 H TYR 6 0.644 1.854 4.578 45 HA TYR 6 HA TYR 6 0.939 0.532 7.026 46 1HB TYR 6 1HB TYR 6 -0.437 3.161 6.186 47 2HB TYR 6 2HB TYR 6 0.047 2.801 7.831 48 HD1 TYR 6 HD1 TYR 6 0.929 4.713 5.152 49 HD2 TYR 6 HD2 TYR 6 2.700 1.876 7.821 50 HE1 TYR 6 HE1 TYR 6 3.223 5.711 4.702 51 HE2 TYR 6 HE2 TYR 6 4.988 2.884 7.362 52 HH TYR 6 HH TYR 6 5.362 5.507 5.003 53 H GLN 7 H GLN 7 -0.486 -0.400 8.453 54 HA GLN 7 HA GLN 7 -3.236 0.172 8.339 55 1HB GLN 7 1HB GLN 7 -4.147 -1.805 7.439 56 2HB GLN 7 2HB GLN 7 -2.822 -1.450 6.348 57 1HG GLN 7 1HG GLN 7 -1.458 -2.968 8.126 58 2HG GLN 7 2HG GLN 7 -3.056 -3.628 8.412 59 1HE2 GLN 7 1HE2 GLN 7 -2.593 -5.605 7.542 60 2HE2 GLN 7 2HE2 GLN 7 -2.372 -5.894 5.849 61 H ARG 8 H ARG 8 -4.380 -0.759 10.172 62 HA ARG 8 HA ARG 8 -2.642 -2.253 11.954 63 1HB ARG 8 1HB ARG 8 -2.612 0.089 12.729 64 2HB ARG 8 2HB ARG 8 -4.362 0.171 12.677 65 1HG ARG 8 1HG ARG 8 -3.270 -2.062 14.327 66 2HG ARG 8 2HG ARG 8 -2.895 -0.460 14.928 67 1HD ARG 8 1HD ARG 8 -5.351 0.132 14.781 68 2HD ARG 8 2HD ARG 8 -5.691 -1.512 14.279 69 HE ARG 8 HE ARG 8 -5.493 -2.183 16.504 70 1HH1 ARG 8 2HH2 ARG 8 -3.772 0.858 16.090 71 2HH1 ARG 8 1HH2 ARG 8 -3.400 1.024 17.774 72 1HH2 ARG 8 2HH1 ARG 8 -5.003 -1.965 18.725 73 2HH2 ARG 8 1HH1 ARG 8 -4.105 -0.593 19.283 74 H ASP 9 H ASP 9 -3.659 -4.185 12.388 75 HA ASP 9 HA ASP 9 -5.194 -5.655 12.809 76 1HB ASP 9 1HB ASP 9 -5.925 -3.577 14.399 77 2HB ASP 9 2HB ASP 9 -7.354 -3.641 13.386 78 H ASP 10 H ASP 10 -6.257 -6.785 11.172 79 HA ASP 10 HA ASP 10 -6.890 -5.865 8.793 80 1HB ASP 10 1HB ASP 10 -7.051 -8.260 9.650 81 2HB ASP 10 2HB ASP 10 -8.633 -7.872 10.298 82 H CYS 11 H CYS 11 -8.135 -4.054 8.266 83 HA CYS 11 HA CYS 11 -10.729 -3.832 9.611 84 1HB CYS 11 1HB CYS 11 -10.401 -1.290 9.140 85 2HB CYS 11 2HB CYS 11 -9.631 -2.016 10.537 86 HG CYS 11 HG CYS 11 -8.449 -0.480 8.084 87 H HIS 12 H HIS 12 -12.428 -2.838 8.210 88 HA HIS 12 HA HIS 12 -12.370 -3.902 5.636 89 1HB HIS 12 1HB HIS 12 -14.331 -3.205 7.250 90 2HB HIS 12 2HB HIS 12 -14.225 -1.672 6.409 91 HD1 HIS 12 HD1 HIS 12 -16.470 -4.147 6.292 92 HD2 HIS 12 HD2 HIS 12 -13.816 -2.826 3.324 93 HE1 HIS 12 HE1 HIS 12 -17.471 -4.877 4.062 94 H LEU 13 H LEU 13 -11.600 -0.664 6.958 95 HA LEU 13 HA LEU 13 -11.532 0.692 4.519 96 1HB LEU 13 1HB LEU 13 -11.508 1.530 6.964 97 2HB LEU 13 2HB LEU 13 -9.769 1.332 6.866 98 HG LEU 13 HG LEU 13 -9.998 2.807 4.701 99 1HD1 LEU 13 1HD1 LEU 13 -12.658 2.681 5.310 100 2HD1 LEU 13 2HD1 LEU 13 -12.191 4.229 6.054 101 3HD1 LEU 13 3HD1 LEU 13 -11.890 3.947 4.322 102 1HD2 LEU 13 1HD2 LEU 13 -9.202 3.264 7.290 103 2HD2 LEU 13 2HD2 LEU 13 -9.005 4.390 5.926 104 3HD2 LEU 13 3HD2 LEU 13 -10.399 4.555 7.021 105 H CYS 14 H CYS 14 -9.092 -1.277 6.280 106 HA CYS 14 HA CYS 14 -7.027 -0.642 4.442 107 1HB CYS 14 1HB CYS 14 -6.394 -1.253 6.668 108 2HB CYS 14 2HB CYS 14 -7.296 -2.754 6.597 109 HG CYS 14 HG CYS 14 -4.885 -1.911 4.492 110 H ASP 15 H ASP 15 -9.389 -3.328 4.953 111 HA ASP 15 HA ASP 15 -8.448 -5.128 3.182 112 1HB ASP 15 1HB ASP 15 -11.222 -4.313 4.057 113 2HB ASP 15 2HB ASP 15 -11.080 -5.480 2.757 114 H GLN 16 H GLN 16 -10.591 -2.255 2.612 115 HA GLN 16 HA GLN 16 -11.035 -2.738 -0.077 116 1HB GLN 16 1HB GLN 16 -11.329 -0.440 1.801 117 2HB GLN 16 2HB GLN 16 -11.220 -0.005 0.107 118 1HG GLN 16 1HG GLN 16 -12.993 -1.994 -0.185 119 2HG GLN 16 2HG GLN 16 -13.314 -1.674 1.508 120 1HE2 GLN 16 1HE2 GLN 16 -13.975 0.420 2.164 121 2HE2 GLN 16 2HE2 GLN 16 -14.791 1.496 1.080 122 H ALA 17 H ALA 17 -8.259 -1.451 1.671 123 HA ALA 17 HA ALA 17 -7.111 -0.091 -0.548 124 1HB ALA 17 1HB ALA 17 -5.377 0.394 0.932 125 2HB ALA 17 2HB ALA 17 -6.736 0.136 2.052 126 3HB ALA 17 3HB ALA 17 -5.539 -1.156 1.793 127 H VAL 18 H VAL 18 -6.659 -3.324 1.021 128 HA VAL 18 HA VAL 18 -4.588 -4.166 -0.637 129 HB VAL 18 HB VAL 18 -6.740 -5.769 0.760 130 1HG1 VAL 18 1HG1 VAL 18 -5.741 -7.347 -0.599 131 2HG1 VAL 18 2HG1 VAL 18 -4.166 -6.517 -0.594 132 3HG1 VAL 18 3HG1 VAL 18 -4.696 -7.431 0.840 133 1HG2 VAL 18 1HG2 VAL 18 -5.591 -5.598 2.722 134 2HG2 VAL 18 2HG2 VAL 18 -4.012 -5.438 1.917 135 3HG2 VAL 18 3HG2 VAL 18 -5.111 -4.041 2.007 136 H GLU 19 H GLU 19 -8.152 -4.180 -1.023 137 HA GLU 19 HA GLU 19 -8.276 -5.882 -3.173 138 1HB GLU 19 1HB GLU 19 -10.050 -4.244 -1.719 139 2HB GLU 19 2HB GLU 19 -10.190 -3.666 -3.368 140 1HG GLU 19 1HG GLU 19 -11.088 -5.657 -4.147 141 2HG GLU 19 2HG GLU 19 -10.151 -6.642 -3.041 142 H ALA 20 H ALA 20 -7.912 -2.273 -3.085 143 HA ALA 20 HA ALA 20 -7.864 -1.918 -5.850 144 1HB ALA 20 1HB ALA 20 -6.944 -0.375 -3.432 145 2HB ALA 20 2HB ALA 20 -6.493 0.197 -5.056 146 3HB ALA 20 3HB ALA 20 -8.210 0.025 -4.617 147 H LEU 21 H LEU 21 -5.320 -2.752 -3.456 148 HA LEU 21 HA LEU 21 -3.147 -2.392 -5.184 149 1HB LEU 21 1HB LEU 21 -3.682 -3.499 -2.542 150 2HB LEU 21 2HB LEU 21 -2.433 -4.385 -3.394 151 HG LEU 21 HG LEU 21 -2.172 -1.430 -3.453 152 1HD1 LEU 21 1HD1 LEU 21 -1.583 -1.076 -1.242 153 2HD1 LEU 21 2HD1 LEU 21 -3.007 -2.135 -1.096 154 3HD1 LEU 21 3HD1 LEU 21 -1.371 -2.811 -0.907 155 1HD2 LEU 21 1HD2 LEU 21 -0.530 -3.766 -3.799 156 2HD2 LEU 21 2HD2 LEU 21 -0.171 -2.062 -4.168 157 3HD2 LEU 21 3HD2 LEU 21 0.171 -2.713 -2.547 158 H ALA 22 H ALA 22 -4.927 -5.415 -4.227 159 HA ALA 22 HA ALA 22 -3.581 -7.111 -5.938 160 1HB ALA 22 1HB ALA 22 -5.695 -8.498 -5.725 161 2HB ALA 22 2HB ALA 22 -4.992 -7.955 -4.182 162 3HB ALA 22 3HB ALA 22 -6.420 -7.128 -4.849 163 H GLN 23 H GLN 23 -6.559 -5.125 -6.484 164 HA GLN 23 HA GLN 23 -7.065 -6.062 -9.021 165 1HB GLN 23 1HB GLN 23 -7.709 -3.491 -7.561 166 2HB GLN 23 2HB GLN 23 -8.151 -3.662 -9.248 167 1HG GLN 23 1HG GLN 23 -8.967 -6.096 -8.057 168 2HG GLN 23 2HG GLN 23 -9.385 -4.873 -6.874 169 1HE2 GLN 23 1HE2 GLN 23 -10.946 -3.382 -7.283 170 2HE2 GLN 23 2HE2 GLN 23 -11.997 -3.415 -8.659 171 H ALA 24 H ALA 24 -4.892 -3.453 -7.843 172 HA ALA 24 HA ALA 24 -4.245 -2.593 -10.499 173 1HB ALA 24 1HB ALA 24 -2.345 -1.474 -8.945 174 2HB ALA 24 2HB ALA 24 -4.003 -0.834 -9.044 175 3HB ALA 24 3HB ALA 24 -3.533 -1.882 -7.685 176 H ARG 25 H ARG 25 -3.623 -5.411 -8.862 177 HA ARG 25 HA ARG 25 -2.083 -6.937 -8.903 178 1HB ARG 25 1HB ARG 25 -1.983 -5.739 -11.663 179 2HB ARG 25 2HB ARG 25 -0.706 -6.867 -11.255 180 1HG ARG 25 1HG ARG 25 -3.334 -7.866 -10.391 181 2HG ARG 25 2HG ARG 25 -3.316 -7.519 -12.108 182 1HD ARG 25 1HD ARG 25 -0.851 -8.811 -11.677 183 2HD ARG 25 2HD ARG 25 -1.955 -9.677 -10.627 184 HE ARG 25 HE ARG 25 -2.839 -10.657 -12.541 185 1HH1 ARG 25 2HH2 ARG 25 -1.630 -7.466 -13.398 186 2HH1 ARG 25 1HH2 ARG 25 -2.057 -7.613 -15.070 187 1HH2 ARG 25 2HH1 ARG 25 -3.404 -10.851 -14.746 188 2HH2 ARG 25 1HH1 ARG 25 -3.073 -9.551 -15.842 189 H ALA 26 H ALA 26 -1.242 -4.600 -7.513 190 HA ALA 26 HA ALA 26 1.146 -3.481 -8.269 191 1HB ALA 26 1HB ALA 26 1.303 -3.738 -5.498 192 2HB ALA 26 2HB ALA 26 0.494 -2.424 -6.385 193 3HB ALA 26 3HB ALA 26 -0.444 -3.830 -5.826 194 H GLY 27 H GLY 27 0.655 -6.385 -6.130 195 1HA GLY 27 1HA GLY 27 2.059 -8.322 -6.855 196 2HA GLY 27 2HA GLY 27 3.409 -7.205 -6.836 197 H ALA 28 H ALA 28 4.652 -7.980 -5.138 198 HA ALA 28 HA ALA 28 3.298 -8.560 -2.625 199 1HB ALA 28 1HB ALA 28 6.004 -9.036 -2.278 200 2HB ALA 28 2HB ALA 28 4.798 -10.246 -2.779 201 3HB ALA 28 3HB ALA 28 5.765 -9.391 -4.005 202 H PHE 29 H PHE 29 4.095 -7.605 -0.598 203 HA PHE 29 HA PHE 29 5.838 -5.356 -0.746 204 1HB PHE 29 1HB PHE 29 3.955 -3.797 0.094 205 2HB PHE 29 2HB PHE 29 3.810 -4.266 -1.588 206 HD1 PHE 29 HD1 PHE 29 2.003 -5.663 -2.336 207 HD2 PHE 29 HD2 PHE 29 2.456 -4.777 1.789 208 HE1 PHE 29 HE1 PHE 29 -0.309 -6.533 -1.895 209 HE2 PHE 29 HE2 PHE 29 0.144 -5.646 2.230 210 HZ PHE 29 HZ PHE 29 -1.212 -6.514 0.383 211 H PHE 30 H PHE 30 5.536 -4.078 1.550 212 HA PHE 30 HA PHE 30 5.403 -6.232 3.538 213 1HB PHE 30 1HB PHE 30 6.923 -3.563 3.359 214 2HB PHE 30 2HB PHE 30 6.954 -4.577 4.788 215 HD1 PHE 30 HD1 PHE 30 8.791 -3.708 2.034 216 HD2 PHE 30 HD2 PHE 30 7.511 -7.183 4.106 217 HE1 PHE 30 HE1 PHE 30 10.728 -4.990 1.083 218 HE2 PHE 30 HE2 PHE 30 9.448 -8.465 3.155 219 HZ PHE 30 HZ PHE 30 11.034 -7.352 1.655 220 H SER 31 H SER 31 4.220 -5.931 5.447 221 HA SER 31 HA SER 31 2.423 -3.661 5.322 222 1HB SER 31 1HB SER 31 2.284 -6.438 6.399 223 2HB SER 31 2HB SER 31 1.483 -5.227 7.380 224 HG SER 31 HG SER 31 -0.121 -5.243 5.975 225 H VAL 32 H VAL 32 2.240 -2.153 7.043 226 HA VAL 32 HA VAL 32 4.116 -2.546 9.263 227 HB VAL 32 HB VAL 32 3.760 -0.132 7.491 228 1HG1 VAL 32 1HG1 VAL 32 5.473 0.889 9.168 229 2HG1 VAL 32 2HG1 VAL 32 3.741 0.902 9.578 230 3HG1 VAL 32 3HG1 VAL 32 4.819 -0.314 10.306 231 1HG2 VAL 32 1HG2 VAL 32 5.806 -2.200 7.853 232 2HG2 VAL 32 2HG2 VAL 32 5.549 -1.062 6.509 233 3HG2 VAL 32 3HG2 VAL 32 6.457 -0.546 7.950 234 H PHE 33 H PHE 33 3.274 -2.092 11.270 235 HA PHE 33 HA PHE 33 0.478 -1.257 11.266 236 1HB PHE 33 1HB PHE 33 2.223 -2.313 13.557 237 2HB PHE 33 2HB PHE 33 0.474 -2.358 13.466 238 HD1 PHE 33 HD1 PHE 33 -0.654 -4.002 12.029 239 HD2 PHE 33 HD2 PHE 33 3.569 -3.977 12.449 240 HE1 PHE 33 HE1 PHE 33 -0.545 -6.319 11.070 241 HE2 PHE 33 HE2 PHE 33 3.678 -6.294 11.491 242 HZ PHE 33 HZ PHE 33 1.620 -7.438 10.813 243 H ILE 34 H ILE 34 -0.013 0.822 11.762 244 HA ILE 34 HA ILE 34 1.999 2.571 12.737 245 HB ILE 34 HB ILE 34 0.367 4.272 12.522 246 1HG1 ILE 34 1HG1 ILE 34 -1.904 2.437 11.923 247 2HG1 ILE 34 2HG1 ILE 34 -1.436 2.596 13.604 248 1HG2 ILE 34 1HG2 ILE 34 -0.442 2.450 10.284 249 2HG2 ILE 34 2HG2 ILE 34 -0.001 4.174 10.254 250 3HG2 ILE 34 3HG2 ILE 34 1.262 2.936 10.451 251 1HD1 ILE 34 1HD1 ILE 34 -3.139 4.281 13.055 252 2HD1 ILE 34 2HD1 ILE 34 -1.593 5.092 13.402 253 3HD1 ILE 34 3HD1 ILE 34 -2.135 4.893 11.718 254 H ASP 35 H ASP 35 -0.075 0.281 14.220 255 HA ASP 35 HA ASP 35 -0.928 1.467 16.475 256 1HB ASP 35 1HB ASP 35 -1.081 -0.705 17.401 257 2HB ASP 35 2HB ASP 35 -1.111 -1.000 15.674 258 H ASP 36 H ASP 36 0.061 1.142 18.801 259 HA ASP 36 HA ASP 36 1.582 1.846 20.197 260 1HB ASP 36 1HB ASP 36 2.288 -0.572 19.573 261 2HB ASP 36 2HB ASP 36 3.552 0.154 18.601 262 H ASP 37 H ASP 37 1.279 3.829 18.339 263 HA ASP 37 HA ASP 37 3.763 5.089 18.364 264 1HB ASP 37 1HB ASP 37 3.354 3.408 16.112 265 2HB ASP 37 2HB ASP 37 3.028 5.026 15.526 266 H ALA 38 H ALA 38 2.653 6.929 19.161 267 HA ALA 38 HA ALA 38 0.143 7.738 18.138 268 1HB ALA 38 1HB ALA 38 1.851 8.326 20.332 269 2HB ALA 38 2HB ALA 38 1.581 9.861 19.471 270 3HB ALA 38 3HB ALA 38 0.193 8.909 20.053 271 H ALA 39 H ALA 39 3.548 8.447 17.368 272 HA ALA 39 HA ALA 39 3.157 10.807 15.947 273 1HB ALA 39 1HB ALA 39 5.215 8.866 14.998 274 2HB ALA 39 2HB ALA 39 5.381 10.579 15.456 275 3HB ALA 39 3HB ALA 39 5.290 9.325 16.716 276 H LEU 40 H LEU 40 3.159 7.344 14.865 277 HA LEU 40 HA LEU 40 2.593 7.994 12.180 278 1HB LEU 40 1HB LEU 40 2.130 5.408 13.671 279 2HB LEU 40 2HB LEU 40 2.178 5.612 11.932 280 HG LEU 40 HG LEU 40 4.531 6.207 13.741 281 1HD1 LEU 40 1HD1 LEU 40 3.886 3.659 12.234 282 2HD1 LEU 40 2HD1 LEU 40 5.449 4.032 12.999 283 3HD1 LEU 40 3HD1 LEU 40 3.985 3.867 13.999 284 1HD2 LEU 40 1HD2 LEU 40 5.838 6.075 11.667 285 2HD2 LEU 40 2HD2 LEU 40 4.338 5.822 10.741 286 3HD2 LEU 40 3HD2 LEU 40 4.607 7.359 11.597 287 H GLU 41 H GLU 41 0.611 7.369 15.090 288 HA GLU 41 HA GLU 41 -1.792 7.061 13.716 289 1HB GLU 41 1HB GLU 41 -1.055 7.797 16.562 290 2HB GLU 41 2HB GLU 41 -2.733 7.812 16.056 291 1HG GLU 41 1HG GLU 41 -1.132 5.378 15.323 292 2HG GLU 41 2HG GLU 41 -1.505 5.588 17.023 293 H SER 42 H SER 42 -0.125 9.924 15.155 294 HA SER 42 HA SER 42 -2.252 11.664 14.541 295 1HB SER 42 1HB SER 42 0.135 11.770 16.042 296 2HB SER 42 2HB SER 42 0.373 12.956 14.774 297 HG SER 42 HG SER 42 -1.059 14.253 15.699 298 H ALA 43 H ALA 43 0.632 10.451 12.857 299 HA ALA 43 HA ALA 43 0.657 12.485 10.865 300 1HB ALA 43 1HB ALA 43 2.055 9.909 11.450 301 2HB ALA 43 2HB ALA 43 2.042 10.453 9.755 302 3HB ALA 43 3HB ALA 43 2.724 11.501 11.021 303 H TYR 44 H TYR 44 -0.662 9.133 11.152 304 HA TYR 44 HA TYR 44 -2.081 9.609 8.620 305 1HB TYR 44 1HB TYR 44 -1.298 7.097 10.227 306 2HB TYR 44 2HB TYR 44 -2.215 7.036 8.735 307 HD1 TYR 44 HD1 TYR 44 0.889 6.397 9.962 308 HD2 TYR 44 HD2 TYR 44 -0.931 8.671 6.829 309 HE1 TYR 44 HE1 TYR 44 3.053 6.306 8.629 310 HE2 TYR 44 HE2 TYR 44 1.238 8.573 5.507 311 HH TYR 44 HH TYR 44 4.166 7.452 6.929 312 H GLY 45 H GLY 45 -2.518 7.643 11.652 313 1HA GLY 45 1HA GLY 45 -4.355 7.224 12.880 314 2HA GLY 45 2HA GLY 45 -4.751 8.914 12.637 315 H LEU 46 H LEU 46 -6.184 9.553 10.897 316 HA LEU 46 HA LEU 46 -8.165 7.601 10.356 317 1HB LEU 46 1HB LEU 46 -7.969 10.383 10.408 318 2HB LEU 46 2HB LEU 46 -8.297 10.002 8.730 319 HG LEU 46 HG LEU 46 -10.362 10.437 9.911 320 1HD1 LEU 46 1HD1 LEU 46 -10.185 7.465 9.362 321 2HD1 LEU 46 2HD1 LEU 46 -11.626 8.505 9.271 322 3HD1 LEU 46 3HD1 LEU 46 -10.300 8.717 8.102 323 1HD2 LEU 46 1HD2 LEU 46 -9.113 8.970 12.024 324 2HD2 LEU 46 2HD2 LEU 46 -10.624 9.911 12.047 325 3HD2 LEU 46 3HD2 LEU 46 -10.657 8.185 11.613 326 H ARG 47 H ARG 47 -5.342 8.918 8.628 327 HA ARG 47 HA ARG 47 -6.174 7.555 6.237 328 1HB ARG 47 1HB ARG 47 -3.729 9.278 6.880 329 2HB ARG 47 2HB ARG 47 -4.015 8.560 5.307 330 1HG ARG 47 1HG ARG 47 -5.350 10.305 4.755 331 2HG ARG 47 2HG ARG 47 -6.452 9.870 6.046 332 1HD ARG 47 1HD ARG 47 -5.572 11.441 7.527 333 2HD ARG 47 2HD ARG 47 -3.956 11.335 6.858 334 HE ARG 47 HE ARG 47 -4.492 13.055 5.369 335 1HH1 ARG 47 2HH2 ARG 47 -7.471 11.646 6.602 336 2HH1 ARG 47 1HH2 ARG 47 -8.491 12.827 5.849 337 1HH2 ARG 47 2HH1 ARG 47 -5.837 14.613 4.376 338 2HH2 ARG 47 1HH1 ARG 47 -7.555 14.526 4.575 339 H VAL 48 H VAL 48 -5.599 5.945 8.626 340 HA VAL 48 HA VAL 48 -3.089 4.941 8.862 341 HB VAL 48 HB VAL 48 -5.837 4.021 9.332 342 1HG1 VAL 48 1HG1 VAL 48 -3.603 1.974 9.105 343 2HG1 VAL 48 2HG1 VAL 48 -5.224 1.680 9.780 344 3HG1 VAL 48 3HG1 VAL 48 -5.038 2.086 8.057 345 1HG2 VAL 48 1HG2 VAL 48 -5.148 3.900 11.515 346 2HG2 VAL 48 2HG2 VAL 48 -3.512 3.344 11.089 347 3HG2 VAL 48 3HG2 VAL 48 -3.949 5.059 10.894 348 HA PRO 49 HA PRO 49 -3.934 2.149 5.135 349 1HB PRO 49 1HB PRO 49 -6.101 2.619 3.538 350 2HB PRO 49 2HB PRO 49 -6.099 1.431 4.826 351 1HG PRO 49 1HG PRO 49 -7.375 4.097 4.764 352 2HG PRO 49 2HG PRO 49 -7.704 2.747 5.833 353 1HD PRO 49 1HD PRO 49 -6.219 5.118 6.468 354 2HD PRO 49 2HD PRO 49 -6.449 3.718 7.497 355 H VAL 50 H VAL 50 -2.068 3.678 4.938 356 HA VAL 50 HA VAL 50 -2.513 5.261 2.501 357 HB VAL 50 HB VAL 50 -0.984 5.771 5.016 358 1HG1 VAL 50 1HG1 VAL 50 0.801 5.892 3.421 359 2HG1 VAL 50 2HG1 VAL 50 -0.206 6.808 2.274 360 3HG1 VAL 50 3HG1 VAL 50 0.310 7.559 3.803 361 1HG2 VAL 50 1HG2 VAL 50 -2.264 7.860 3.285 362 2HG2 VAL 50 2HG2 VAL 50 -3.302 6.752 4.215 363 3HG2 VAL 50 3HG2 VAL 50 -2.116 7.778 5.057 364 H LEU 51 H LEU 51 -1.369 4.662 0.723 365 HA LEU 51 HA LEU 51 0.468 2.451 1.041 366 1HB LEU 51 1HB LEU 51 -1.400 3.256 -0.884 367 2HB LEU 51 2HB LEU 51 0.162 3.473 -1.649 368 HG LEU 51 HG LEU 51 -0.935 0.917 -0.453 369 1HD1 LEU 51 1HD1 LEU 51 -0.968 2.086 -3.115 370 2HD1 LEU 51 2HD1 LEU 51 -0.193 0.484 -3.098 371 3HD1 LEU 51 3HD1 LEU 51 -1.846 0.680 -2.468 372 1HD2 LEU 51 1HD2 LEU 51 1.137 -0.157 -1.285 373 2HD2 LEU 51 2HD2 LEU 51 1.798 1.456 -1.645 374 3HD2 LEU 51 3HD2 LEU 51 1.427 1.001 0.035 375 H ARG 52 H ARG 52 2.666 2.579 0.958 376 HA ARG 52 HA ARG 52 3.739 5.125 0.058 377 1HB ARG 52 1HB ARG 52 3.815 5.121 2.523 378 2HB ARG 52 2HB ARG 52 4.563 3.536 2.538 379 1HG ARG 52 1HG ARG 52 6.027 5.532 0.893 380 2HG ARG 52 2HG ARG 52 5.936 5.950 2.592 381 1HD ARG 52 1HD ARG 52 6.653 3.426 2.986 382 2HD ARG 52 2HD ARG 52 7.185 3.496 1.318 383 HE ARG 52 HE ARG 52 8.175 5.805 2.711 384 1HH1 ARG 52 2HH2 ARG 52 8.674 2.328 2.504 385 2HH1 ARG 52 1HH2 ARG 52 10.335 2.408 2.986 386 1HH2 ARG 52 2HH1 ARG 52 10.367 5.912 3.347 387 2HH2 ARG 52 1HH1 ARG 52 11.305 4.461 3.469 388 H ASP 53 H ASP 53 5.861 4.985 -0.956 389 HA ASP 53 HA ASP 53 6.560 2.233 -1.619 390 1HB ASP 53 1HB ASP 53 7.676 4.339 -3.358 391 2HB ASP 53 2HB ASP 53 6.837 2.865 -3.800 392 HA PRO 54 HA PRO 54 10.627 3.151 -0.238 393 1HB PRO 54 1HB PRO 54 12.310 2.046 -2.086 394 2HB PRO 54 2HB PRO 54 11.475 1.105 -0.866 395 1HG PRO 54 1HG PRO 54 10.893 1.326 -3.756 396 2HG PRO 54 2HG PRO 54 10.366 0.100 -2.621 397 1HD PRO 54 1HD PRO 54 8.798 2.267 -3.657 398 2HD PRO 54 2HD PRO 54 8.309 1.110 -2.435 399 H MET 55 H MET 55 9.856 4.287 -3.385 400 HA MET 55 HA MET 55 12.120 5.790 -3.831 401 1HB MET 55 1HB MET 55 9.187 6.051 -4.637 402 2HB MET 55 2HB MET 55 10.357 7.236 -5.182 403 1HG MET 55 1HG MET 55 11.590 5.627 -6.445 404 2HG MET 55 2HG MET 55 10.905 4.273 -5.570 405 1HE MET 55 1HE MET 55 8.176 3.071 -7.143 406 2HE MET 55 2HE MET 55 9.555 3.002 -8.265 407 3HE MET 55 3HE MET 55 9.830 2.889 -6.510 408 H GLY 56 H GLY 56 9.559 6.200 -1.500 409 1HA GLY 56 1HA GLY 56 9.810 7.684 0.301 410 2HA GLY 56 2HA GLY 56 10.720 8.784 -0.716 411 H ARG 57 H ARG 57 7.668 7.143 -1.676 412 HA ARG 57 HA ARG 57 6.327 9.697 -1.377 413 1HB ARG 57 1HB ARG 57 6.129 7.912 -3.856 414 2HB ARG 57 2HB ARG 57 5.265 9.417 -3.613 415 1HG ARG 57 1HG ARG 57 8.068 9.930 -3.150 416 2HG ARG 57 2HG ARG 57 7.930 9.035 -4.650 417 1HD ARG 57 1HD ARG 57 7.751 11.398 -5.191 418 2HD ARG 57 2HD ARG 57 6.167 10.686 -5.422 419 HE ARG 57 HE ARG 57 6.976 12.446 -3.153 420 1HH1 ARG 57 2HH2 ARG 57 4.462 10.663 -4.851 421 2HH1 ARG 57 1HH2 ARG 57 3.163 11.447 -4.014 422 1HH2 ARG 57 2HH1 ARG 57 5.264 13.479 -2.049 423 2HH2 ARG 57 1HH1 ARG 57 3.622 13.059 -2.409 424 H GLU 58 H GLU 58 3.843 9.408 -1.565 425 HA GLU 58 HA GLU 58 3.038 6.692 -0.967 426 1HB GLU 58 1HB GLU 58 1.497 7.964 0.862 427 2HB GLU 58 2HB GLU 58 3.051 7.255 1.255 428 1HG GLU 58 1HG GLU 58 3.017 9.525 2.134 429 2HG GLU 58 2HG GLU 58 4.150 9.480 0.798 430 H LEU 59 H LEU 59 0.502 6.585 -0.884 431 HA LEU 59 HA LEU 59 -0.569 8.559 -2.774 432 1HB LEU 59 1HB LEU 59 0.029 6.325 -3.787 433 2HB LEU 59 2HB LEU 59 -1.216 5.613 -2.780 434 HG LEU 59 HG LEU 59 -2.930 6.974 -3.875 435 1HD1 LEU 59 1HD1 LEU 59 -2.107 8.150 -6.070 436 2HD1 LEU 59 2HD1 LEU 59 -2.020 8.990 -4.503 437 3HD1 LEU 59 3HD1 LEU 59 -0.559 8.245 -5.195 438 1HD2 LEU 59 1HD2 LEU 59 -3.171 5.512 -5.559 439 2HD2 LEU 59 2HD2 LEU 59 -1.584 5.900 -6.266 440 3HD2 LEU 59 3HD2 LEU 59 -1.695 4.770 -4.895 441 H ASP 60 H ASP 60 -2.768 9.155 -2.469 442 HA ASP 60 HA ASP 60 -3.555 9.343 0.125 443 1HB ASP 60 1HB ASP 60 -4.501 10.168 -2.396 444 2HB ASP 60 2HB ASP 60 -5.826 9.218 -1.755 445 H TRP 61 H TRP 61 -5.289 8.233 1.346 446 HA TRP 61 HA TRP 61 -5.258 5.474 1.155 447 1HB TRP 61 1HB TRP 61 -5.941 5.966 3.212 448 2HB TRP 61 2HB TRP 61 -6.609 7.514 2.735 449 HD1 TRP 61 HD1 TRP 61 -9.088 7.486 3.565 450 HE1 TRP 61 HE1 TRP 61 -11.189 5.893 3.459 451 HE3 TRP 61 HE3 TRP 61 -6.685 3.601 1.331 452 HZ2 TRP 61 HZ2 TRP 61 -11.601 3.246 2.474 453 HZ3 TRP 61 HZ3 TRP 61 -8.010 1.549 0.831 454 HH2 TRP 61 HH2 TRP 61 -10.385 1.335 1.366 455 HA PRO 62 HA PRO 62 -9.351 5.955 -1.193 456 1HB PRO 62 1HB PRO 62 -10.195 8.426 -1.999 457 2HB PRO 62 2HB PRO 62 -10.745 7.661 -0.522 458 1HG PRO 62 1HG PRO 62 -8.816 9.876 -0.855 459 2HG PRO 62 2HG PRO 62 -9.689 9.388 0.584 460 1HD PRO 62 1HD PRO 62 -6.929 8.876 -0.005 461 2HD PRO 62 2HD PRO 62 -7.832 8.290 1.378 462 H PHE 63 H PHE 63 -8.786 4.855 -2.960 463 HA PHE 63 HA PHE 63 -7.967 6.500 -5.192 464 1HB PHE 63 1HB PHE 63 -6.118 4.534 -5.460 465 2HB PHE 63 2HB PHE 63 -5.762 5.971 -4.522 466 HD1 PHE 63 HD1 PHE 63 -7.951 3.145 -3.518 467 HD2 PHE 63 HD2 PHE 63 -4.249 5.138 -2.938 468 HE1 PHE 63 HE1 PHE 63 -7.498 1.719 -1.503 469 HE2 PHE 63 HE2 PHE 63 -3.797 3.711 -0.923 470 HZ PHE 63 HZ PHE 63 -5.427 2.019 -0.229 471 H ASP 64 H ASP 64 -7.366 4.656 -7.084 472 HA ASP 64 HA ASP 64 -9.575 2.761 -6.914 473 1HB ASP 64 1HB ASP 64 -8.639 4.107 -9.481 474 2HB ASP 64 2HB ASP 64 -10.094 3.158 -9.250 475 H ALA 65 H ALA 65 -9.127 1.327 -9.275 476 HA ALA 65 HA ALA 65 -6.702 -0.057 -8.645 477 1HB ALA 65 1HB ALA 65 -8.107 -1.669 -9.367 478 2HB ALA 65 2HB ALA 65 -9.173 -0.489 -10.166 479 3HB ALA 65 3HB ALA 65 -7.735 -1.105 -11.014 480 HA PRO 66 HA PRO 66 -5.560 1.779 -12.857 481 1HB PRO 66 1HB PRO 66 -7.128 3.718 -13.976 482 2HB PRO 66 2HB PRO 66 -7.258 2.021 -14.394 483 1HG PRO 66 1HG PRO 66 -9.056 3.659 -12.714 484 2HG PRO 66 2HG PRO 66 -9.375 2.117 -13.484 485 1HD PRO 66 1HD PRO 66 -8.812 2.566 -10.707 486 2HD PRO 66 2HD PRO 66 -9.015 1.015 -11.498 487 H ARG 67 H ARG 67 -6.840 3.740 -10.367 488 HA ARG 67 HA ARG 67 -5.149 5.925 -11.044 489 1HB ARG 67 1HB ARG 67 -7.480 5.697 -9.599 490 2HB ARG 67 2HB ARG 67 -6.316 5.738 -8.289 491 1HG ARG 67 1HG ARG 67 -5.614 7.914 -8.780 492 2HG ARG 67 2HG ARG 67 -5.982 7.768 -10.487 493 1HD ARG 67 1HD ARG 67 -8.448 7.476 -8.983 494 2HD ARG 67 2HD ARG 67 -7.619 8.915 -8.423 495 HE ARG 67 HE ARG 67 -8.933 8.612 -10.956 496 1HH1 ARG 67 2HH2 ARG 67 -6.030 10.020 -9.553 497 2HH1 ARG 67 1HH2 ARG 67 -5.885 11.248 -10.766 498 1HH2 ARG 67 2HH1 ARG 67 -8.743 10.232 -12.556 499 2HH2 ARG 67 1HH1 ARG 67 -7.439 11.370 -12.486 500 H LEU 68 H LEU 68 -5.119 3.069 -8.917 501 HA LEU 68 HA LEU 68 -2.879 3.997 -7.383 502 1HB LEU 68 1HB LEU 68 -4.713 2.532 -6.524 503 2HB LEU 68 2HB LEU 68 -4.105 1.242 -7.543 504 HG LEU 68 HG LEU 68 -1.859 2.075 -6.107 505 1HD1 LEU 68 1HD1 LEU 68 -3.418 1.525 -3.797 506 2HD1 LEU 68 2HD1 LEU 68 -2.469 2.982 -4.180 507 3HD1 LEU 68 3HD1 LEU 68 -4.182 2.884 -4.655 508 1HD2 LEU 68 1HD2 LEU 68 -3.624 -0.220 -5.265 509 2HD2 LEU 68 2HD2 LEU 68 -2.718 -0.240 -6.797 510 3HD2 LEU 68 3HD2 LEU 68 -1.848 -0.103 -5.250 511 H ARG 69 H ARG 69 -3.503 1.833 -10.180 512 HA ARG 69 HA ARG 69 -0.899 0.840 -10.261 513 1HB ARG 69 1HB ARG 69 -2.772 -0.304 -11.389 514 2HB ARG 69 2HB ARG 69 -3.047 1.082 -12.425 515 1HG ARG 69 1HG ARG 69 -1.751 -0.164 -13.880 516 2HG ARG 69 2HG ARG 69 -0.457 0.679 -13.052 517 1HD ARG 69 1HD ARG 69 -0.008 -1.213 -11.611 518 2HD ARG 69 2HD ARG 69 -1.501 -2.009 -12.065 519 HE ARG 69 HE ARG 69 -0.008 -1.605 -14.451 520 1HH1 ARG 69 2HH2 ARG 69 0.232 -3.448 -11.462 521 2HH1 ARG 69 1HH2 ARG 69 1.165 -4.722 -12.173 522 1HH2 ARG 69 2HH1 ARG 69 1.224 -3.286 -15.389 523 2HH2 ARG 69 1HH1 ARG 69 1.733 -4.629 -14.421 524 H ALA 70 H ALA 70 -2.621 3.477 -12.068 525 HA ALA 70 HA ALA 70 -0.525 4.206 -13.725 526 1HB ALA 70 1HB ALA 70 -2.635 5.082 -14.248 527 2HB ALA 70 2HB ALA 70 -2.944 5.604 -12.575 528 3HB ALA 70 3HB ALA 70 -1.783 6.497 -13.586 529 H TRP 71 H TRP 71 -1.156 4.848 -10.283 530 HA TRP 71 HA TRP 71 0.750 6.955 -10.083 531 1HB TRP 71 1HB TRP 71 -1.072 6.877 -8.543 532 2HB TRP 71 2HB TRP 71 -0.676 5.243 -8.049 533 HD1 TRP 71 HD1 TRP 71 0.875 8.812 -7.785 534 HE1 TRP 71 HE1 TRP 71 2.341 9.028 -5.602 535 HE3 TRP 71 HE3 TRP 71 0.417 3.951 -6.364 536 HZ2 TRP 71 HZ2 TRP 71 3.127 7.183 -3.571 537 HZ3 TRP 71 HZ3 TRP 71 1.565 3.241 -4.269 538 HH2 TRP 71 HH2 TRP 71 2.884 4.767 -2.889 539 H LEU 72 H LEU 72 0.672 3.387 -9.559 540 HA LEU 72 HA LEU 72 3.196 3.153 -8.413 541 1HB LEU 72 1HB LEU 72 1.474 1.269 -10.012 542 2HB LEU 72 2HB LEU 72 3.023 0.787 -9.350 543 HG LEU 72 HG LEU 72 1.056 2.021 -7.474 544 1HD1 LEU 72 1HD1 LEU 72 0.547 -0.449 -9.009 545 2HD1 LEU 72 2HD1 LEU 72 0.345 -0.588 -7.246 546 3HD1 LEU 72 3HD1 LEU 72 -0.577 0.634 -8.155 547 1HD2 LEU 72 1HD2 LEU 72 3.536 0.820 -7.223 548 2HD2 LEU 72 2HD2 LEU 72 2.379 1.146 -5.909 549 3HD2 LEU 72 3HD2 LEU 72 2.403 -0.450 -6.699 550 H ASP 73 H ASP 73 2.133 2.986 -11.873 551 HA ASP 73 HA ASP 73 4.675 2.496 -12.856 552 1HB ASP 73 1HB ASP 73 2.023 3.085 -13.877 553 2HB ASP 73 2HB ASP 73 3.185 4.056 -14.759 554 H ALA 74 H ALA 74 2.793 5.491 -12.147 555 HA ALA 74 HA ALA 74 4.144 7.433 -13.396 556 1HB ALA 74 1HB ALA 74 2.286 7.302 -11.404 557 2HB ALA 74 2HB ALA 74 3.682 7.942 -10.503 558 3HB ALA 74 3HB ALA 74 3.070 8.811 -11.931 559 H ALA 75 H ALA 75 5.284 5.468 -10.631 560 HA ALA 75 HA ALA 75 7.196 5.541 -9.464 561 1HB ALA 75 1HB ALA 75 8.092 5.648 -12.367 562 2HB ALA 75 2HB ALA 75 9.201 5.317 -11.015 563 3HB ALA 75 3HB ALA 75 7.851 4.208 -11.349 564 HA PRO 76 HA PRO 76 7.756 10.059 -9.748 565 1HB PRO 76 1HB PRO 76 6.610 10.767 -7.371 566 2HB PRO 76 2HB PRO 76 5.752 10.810 -8.898 567 1HG PRO 76 1HG PRO 76 5.518 8.852 -6.697 568 2HG PRO 76 2HG PRO 76 4.403 9.163 -8.012 569 1HD PRO 76 1HD PRO 76 6.223 6.956 -7.790 570 2HD PRO 76 2HD PRO 76 5.192 7.331 -9.157 571 H HIS 77 H HIS 77 8.726 11.616 -7.916 572 HA HIS 77 HA HIS 77 10.490 9.987 -6.288 573 1HB HIS 77 1HB HIS 77 11.316 11.162 -8.744 574 2HB HIS 77 2HB HIS 77 12.047 12.100 -7.458 575 HD1 HIS 77 HD1 HIS 77 13.597 10.738 -5.725 576 HD2 HIS 77 HD2 HIS 77 12.449 8.666 -9.187 577 HE1 HIS 77 HE1 HIS 77 15.155 8.726 -5.903 578 H ALA 78 H ALA 78 10.283 13.464 -7.329 579 HA ALA 78 HA ALA 78 9.527 14.112 -4.574 580 1HB ALA 78 1HB ALA 78 12.021 14.374 -4.963 581 2HB ALA 78 2HB ALA 78 11.628 15.623 -6.169 582 3HB ALA 78 3HB ALA 78 11.177 15.859 -4.463 Start of MODEL 14 1 1H MET 1 1H MET 1 13.564 -3.881 0.928 2 HA MET 1 HA MET 1 12.851 -2.365 -0.924 3 1HB MET 1 1HB MET 1 13.804 -3.895 -2.658 4 2HB MET 1 2HB MET 1 14.710 -4.025 -1.164 5 1HG MET 1 1HG MET 1 14.164 -6.224 -0.917 6 2HG MET 1 2HG MET 1 12.459 -5.903 -1.165 7 1HE MET 1 1HE MET 1 13.893 -8.609 -2.343 8 2HE MET 1 2HE MET 1 12.186 -8.113 -2.264 9 3HE MET 1 3HE MET 1 12.893 -8.626 -3.815 10 H ALA 2 H ALA 2 10.360 -2.405 -0.263 11 HA ALA 2 HA ALA 2 8.977 -3.247 -2.608 12 1HB ALA 2 1HB ALA 2 9.139 -5.360 -1.185 13 2HB ALA 2 2HB ALA 2 8.115 -4.527 0.009 14 3HB ALA 2 3HB ALA 2 7.493 -4.848 -1.627 15 H LEU 3 H LEU 3 6.352 -3.019 -1.729 16 HA LEU 3 HA LEU 3 6.271 -0.217 -1.142 17 1HB LEU 3 1HB LEU 3 4.216 -2.321 -1.777 18 2HB LEU 3 2HB LEU 3 3.753 -0.708 -1.274 19 HG LEU 3 HG LEU 3 5.653 -1.048 -3.577 20 1HD1 LEU 3 1HD1 LEU 3 3.699 -2.583 -3.934 21 2HD1 LEU 3 2HD1 LEU 3 2.645 -1.149 -3.891 22 3HD1 LEU 3 3HD1 LEU 3 3.886 -1.303 -5.157 23 1HD2 LEU 3 1HD2 LEU 3 3.757 0.985 -4.024 24 2HD2 LEU 3 2HD2 LEU 3 4.236 1.119 -2.315 25 3HD2 LEU 3 3HD2 LEU 3 5.474 1.162 -3.593 26 H THR 4 H THR 4 4.186 0.282 0.477 27 HA THR 4 HA THR 4 4.277 -1.365 2.834 28 HB THR 4 HB THR 4 5.464 1.461 2.863 29 HG1 THR 4 HG1 THR 4 6.548 -1.229 3.323 30 1HG2 THR 4 1HG2 THR 4 4.260 0.573 4.999 31 2HG2 THR 4 2HG2 THR 4 5.532 -0.671 5.046 32 3HG2 THR 4 3HG2 THR 4 5.965 1.050 5.182 33 H LEU 5 H LEU 5 2.166 -1.554 3.237 34 HA LEU 5 HA LEU 5 0.553 0.878 2.919 35 1HB LEU 5 1HB LEU 5 -0.283 -0.680 1.426 36 2HB LEU 5 2HB LEU 5 -0.012 -2.032 2.508 37 HG LEU 5 HG LEU 5 -1.839 -0.752 3.978 38 1HD1 LEU 5 1HD1 LEU 5 -2.073 0.430 1.262 39 2HD1 LEU 5 2HD1 LEU 5 -3.585 -0.049 2.070 40 3HD1 LEU 5 3HD1 LEU 5 -2.483 1.107 2.856 41 1HD2 LEU 5 1HD2 LEU 5 -3.260 -2.442 3.428 42 2HD2 LEU 5 2HD2 LEU 5 -2.983 -2.266 1.679 43 3HD2 LEU 5 3HD2 LEU 5 -1.770 -3.082 2.694 44 H TYR 6 H TYR 6 0.507 1.903 4.867 45 HA TYR 6 HA TYR 6 0.785 0.576 7.320 46 1HB TYR 6 1HB TYR 6 -0.507 3.242 6.465 47 2HB TYR 6 2HB TYR 6 -0.060 2.871 8.118 48 HD1 TYR 6 HD1 TYR 6 2.513 2.096 8.387 49 HD2 TYR 6 HD2 TYR 6 0.972 4.517 5.214 50 HE1 TYR 6 HE1 TYR 6 4.839 3.031 7.961 51 HE2 TYR 6 HE2 TYR 6 3.303 5.445 4.799 52 HH TYR 6 HH TYR 6 5.584 4.800 5.158 53 H GLN 7 H GLN 7 -0.654 -0.392 8.691 54 HA GLN 7 HA GLN 7 -3.387 0.285 8.625 55 1HB GLN 7 1HB GLN 7 -4.286 -1.902 7.909 56 2HB GLN 7 2HB GLN 7 -3.365 -1.152 6.620 57 1HG GLN 7 1HG GLN 7 -2.088 -3.019 6.497 58 2HG GLN 7 2HG GLN 7 -1.465 -2.662 8.095 59 1HE2 GLN 7 1HE2 GLN 7 -1.911 -5.227 6.915 60 2HE2 GLN 7 2HE2 GLN 7 -3.054 -6.089 7.890 61 H ARG 8 H ARG 8 -4.603 -0.841 10.368 62 HA ARG 8 HA ARG 8 -2.854 -2.330 12.137 63 1HB ARG 8 1HB ARG 8 -2.806 -0.115 13.100 64 2HB ARG 8 2HB ARG 8 -4.521 0.126 12.830 65 1HG ARG 8 1HG ARG 8 -4.052 -2.264 14.464 66 2HG ARG 8 2HG ARG 8 -3.290 -0.861 15.184 67 1HD ARG 8 1HD ARG 8 -5.495 0.392 14.912 68 2HD ARG 8 2HD ARG 8 -6.225 -1.106 14.371 69 HE ARG 8 HE ARG 8 -5.036 -1.827 16.764 70 1HH1 ARG 8 2HH2 ARG 8 -7.278 0.721 15.834 71 2HH1 ARG 8 1HH2 ARG 8 -8.041 0.792 17.388 72 1HH2 ARG 8 2HH1 ARG 8 -6.043 -1.734 18.813 73 2HH2 ARG 8 1HH1 ARG 8 -7.334 -0.614 19.094 74 H ASP 9 H ASP 9 -3.844 -4.284 12.528 75 HA ASP 9 HA ASP 9 -5.362 -5.787 12.896 76 1HB ASP 9 1HB ASP 9 -6.513 -3.373 14.089 77 2HB ASP 9 2HB ASP 9 -7.785 -4.417 13.487 78 H ASP 10 H ASP 10 -6.482 -6.945 11.305 79 HA ASP 10 HA ASP 10 -7.009 -6.035 8.878 80 1HB ASP 10 1HB ASP 10 -7.203 -8.382 9.299 81 2HB ASP 10 2HB ASP 10 -8.416 -8.148 10.542 82 H CYS 11 H CYS 11 -8.358 -4.401 8.115 83 HA CYS 11 HA CYS 11 -10.910 -4.049 9.507 84 1HB CYS 11 1HB CYS 11 -8.815 -2.211 9.571 85 2HB CYS 11 2HB CYS 11 -9.867 -1.586 8.317 86 HG CYS 11 HG CYS 11 -12.004 -2.449 10.122 87 H HIS 12 H HIS 12 -12.527 -2.854 8.001 88 HA HIS 12 HA HIS 12 -12.541 -4.221 5.524 89 1HB HIS 12 1HB HIS 12 -14.356 -2.536 7.107 90 2HB HIS 12 2HB HIS 12 -14.530 -2.308 5.378 91 HD1 HIS 12 HD1 HIS 12 -16.878 -3.558 6.780 92 HD2 HIS 12 HD2 HIS 12 -13.694 -5.836 5.272 93 HE1 HIS 12 HE1 HIS 12 -17.785 -5.919 6.441 94 H LEU 13 H LEU 13 -12.372 -0.700 6.421 95 HA LEU 13 HA LEU 13 -12.088 0.346 3.933 96 1HB LEU 13 1HB LEU 13 -12.170 1.390 6.328 97 2HB LEU 13 2HB LEU 13 -10.422 1.365 6.205 98 HG LEU 13 HG LEU 13 -10.842 2.593 3.916 99 1HD1 LEU 13 1HD1 LEU 13 -12.898 4.208 4.500 100 2HD1 LEU 13 2HD1 LEU 13 -13.070 2.728 3.526 101 3HD1 LEU 13 3HD1 LEU 13 -13.493 2.710 5.255 102 1HD2 LEU 13 1HD2 LEU 13 -11.271 4.722 5.660 103 2HD2 LEU 13 2HD2 LEU 13 -10.462 3.487 6.653 104 3HD2 LEU 13 3HD2 LEU 13 -9.703 4.053 5.146 105 H CYS 14 H CYS 14 -9.616 -1.307 5.947 106 HA CYS 14 HA CYS 14 -7.504 -0.702 4.162 107 1HB CYS 14 1HB CYS 14 -7.199 -1.218 6.589 108 2HB CYS 14 2HB CYS 14 -7.643 -2.882 6.269 109 HG CYS 14 HG CYS 14 -5.786 -2.709 4.057 110 H ASP 15 H ASP 15 -9.709 -3.507 4.775 111 HA ASP 15 HA ASP 15 -8.597 -5.335 3.140 112 1HB ASP 15 1HB ASP 15 -11.016 -5.021 4.512 113 2HB ASP 15 2HB ASP 15 -11.541 -5.169 2.847 114 H GLN 16 H GLN 16 -11.006 -2.732 2.332 115 HA GLN 16 HA GLN 16 -11.287 -3.389 -0.332 116 1HB GLN 16 1HB GLN 16 -11.834 -1.003 1.383 117 2HB GLN 16 2HB GLN 16 -11.745 -0.694 -0.340 118 1HG GLN 16 1HG GLN 16 -13.281 -3.029 -0.216 119 2HG GLN 16 2HG GLN 16 -13.808 -2.149 1.204 120 1HE2 GLN 16 1HE2 GLN 16 -15.278 -0.637 0.981 121 2HE2 GLN 16 2HE2 GLN 16 -15.769 0.131 -0.491 122 H ALA 17 H ALA 17 -8.833 -1.455 1.405 123 HA ALA 17 HA ALA 17 -7.705 -0.238 -0.863 124 1HB ALA 17 1HB ALA 17 -5.723 -0.647 1.144 125 2HB ALA 17 2HB ALA 17 -6.678 0.822 0.829 126 3HB ALA 17 3HB ALA 17 -7.272 -0.395 1.984 127 H VAL 18 H VAL 18 -7.073 -3.338 0.877 128 HA VAL 18 HA VAL 18 -4.806 -4.047 -0.586 129 HB VAL 18 HB VAL 18 -6.905 -5.756 0.764 130 1HG1 VAL 18 1HG1 VAL 18 -4.276 -6.901 0.828 131 2HG1 VAL 18 2HG1 VAL 18 -5.767 -7.557 0.109 132 3HG1 VAL 18 3HG1 VAL 18 -4.694 -6.518 -0.859 133 1HG2 VAL 18 1HG2 VAL 18 -5.825 -4.025 2.212 134 2HG2 VAL 18 2HG2 VAL 18 -5.490 -5.699 2.718 135 3HG2 VAL 18 3HG2 VAL 18 -4.248 -4.766 1.849 136 H GLU 19 H GLU 19 -8.307 -4.314 -1.245 137 HA GLU 19 HA GLU 19 -8.147 -6.144 -3.297 138 1HB GLU 19 1HB GLU 19 -10.150 -4.669 -2.043 139 2HB GLU 19 2HB GLU 19 -10.181 -4.029 -3.675 140 1HG GLU 19 1HG GLU 19 -9.938 -6.982 -3.592 141 2HG GLU 19 2HG GLU 19 -11.404 -6.394 -2.834 142 H ALA 20 H ALA 20 -8.069 -2.515 -3.379 143 HA ALA 20 HA ALA 20 -7.884 -2.222 -6.117 144 1HB ALA 20 1HB ALA 20 -6.986 -0.006 -5.588 145 2HB ALA 20 2HB ALA 20 -8.287 -0.418 -4.445 146 3HB ALA 20 3HB ALA 20 -6.585 -0.537 -3.937 147 H LEU 21 H LEU 21 -5.357 -2.912 -3.647 148 HA LEU 21 HA LEU 21 -3.150 -2.563 -5.293 149 1HB LEU 21 1HB LEU 21 -3.772 -3.713 -2.698 150 2HB LEU 21 2HB LEU 21 -2.514 -4.614 -3.521 151 HG LEU 21 HG LEU 21 -2.169 -1.675 -3.563 152 1HD1 LEU 21 1HD1 LEU 21 -1.152 -1.931 -1.151 153 2HD1 LEU 21 2HD1 LEU 21 -2.874 -1.541 -1.383 154 3HD1 LEU 21 3HD1 LEU 21 -2.382 -3.209 -1.000 155 1HD2 LEU 21 1HD2 LEU 21 -0.535 -4.129 -3.528 156 2HD2 LEU 21 2HD2 LEU 21 -0.255 -2.563 -4.327 157 3HD2 LEU 21 3HD2 LEU 21 0.134 -2.764 -2.602 158 H ALA 22 H ALA 22 -4.985 -5.601 -4.510 159 HA ALA 22 HA ALA 22 -3.546 -7.239 -6.226 160 1HB ALA 22 1HB ALA 22 -5.310 -8.806 -5.867 161 2HB ALA 22 2HB ALA 22 -5.213 -7.838 -4.376 162 3HB ALA 22 3HB ALA 22 -6.497 -7.514 -5.565 163 H GLN 23 H GLN 23 -6.547 -5.286 -6.767 164 HA GLN 23 HA GLN 23 -7.011 -6.151 -9.331 165 1HB GLN 23 1HB GLN 23 -7.665 -3.601 -7.833 166 2HB GLN 23 2HB GLN 23 -8.102 -3.758 -9.523 167 1HG GLN 23 1HG GLN 23 -8.915 -6.205 -8.350 168 2HG GLN 23 2HG GLN 23 -9.344 -4.987 -7.165 169 1HE2 GLN 23 1HE2 GLN 23 -11.494 -4.967 -7.419 170 2HE2 GLN 23 2HE2 GLN 23 -12.333 -4.488 -8.857 171 H ALA 24 H ALA 24 -4.915 -3.495 -8.085 172 HA ALA 24 HA ALA 24 -4.227 -2.572 -10.688 173 1HB ALA 24 1HB ALA 24 -3.149 -0.911 -9.544 174 2HB ALA 24 2HB ALA 24 -4.138 -1.513 -8.192 175 3HB ALA 24 3HB ALA 24 -2.446 -2.037 -8.358 176 H ARG 25 H ARG 25 -3.469 -5.378 -8.911 177 HA ARG 25 HA ARG 25 -2.006 -6.951 -9.131 178 1HB ARG 25 1HB ARG 25 -1.969 -5.673 -11.840 179 2HB ARG 25 2HB ARG 25 -0.611 -6.725 -11.496 180 1HG ARG 25 1HG ARG 25 -3.106 -7.963 -10.600 181 2HG ARG 25 2HG ARG 25 -3.227 -7.503 -12.286 182 1HD ARG 25 1HD ARG 25 -0.672 -8.613 -12.172 183 2HD ARG 25 2HD ARG 25 -1.550 -9.601 -11.022 184 HE ARG 25 HE ARG 25 -2.023 -9.447 -13.927 185 1HH1 ARG 25 2HH2 ARG 25 -3.278 -10.481 -10.807 186 2HH1 ARG 25 1HH2 ARG 25 -4.374 -11.637 -11.488 187 1HH2 ARG 25 2HH1 ARG 25 -3.469 -10.971 -14.826 188 2HH2 ARG 25 1HH1 ARG 25 -4.483 -11.917 -13.789 189 H ALA 26 H ALA 26 -1.156 -4.678 -7.648 190 HA ALA 26 HA ALA 26 1.278 -3.593 -8.394 191 1HB ALA 26 1HB ALA 26 -0.035 -2.680 -6.583 192 2HB ALA 26 2HB ALA 26 0.064 -4.205 -5.672 193 3HB ALA 26 3HB ALA 26 1.523 -3.213 -5.908 194 H GLY 27 H GLY 27 0.693 -6.355 -6.093 195 1HA GLY 27 1HA GLY 27 2.077 -8.367 -6.816 196 2HA GLY 27 2HA GLY 27 3.437 -7.270 -6.678 197 H ALA 28 H ALA 28 4.530 -8.079 -4.895 198 HA ALA 28 HA ALA 28 2.967 -8.641 -2.498 199 1HB ALA 28 1HB ALA 28 5.399 -9.648 -3.733 200 2HB ALA 28 2HB ALA 28 5.709 -9.143 -2.055 201 3HB ALA 28 3HB ALA 28 4.438 -10.339 -2.404 202 H PHE 29 H PHE 29 3.631 -7.719 -0.411 203 HA PHE 29 HA PHE 29 5.416 -5.474 -0.473 204 1HB PHE 29 1HB PHE 29 3.503 -3.969 0.402 205 2HB PHE 29 2HB PHE 29 3.381 -4.387 -1.295 206 HD1 PHE 29 HD1 PHE 29 2.224 -5.578 2.046 207 HD2 PHE 29 HD2 PHE 29 1.382 -5.233 -2.099 208 HE1 PHE 29 HE1 PHE 29 -0.078 -6.496 2.437 209 HE2 PHE 29 HE2 PHE 29 -0.921 -6.152 -1.708 210 HZ PHE 29 HZ PHE 29 -1.623 -6.772 0.556 211 H PHE 30 H PHE 30 5.088 -4.267 1.855 212 HA PHE 30 HA PHE 30 4.874 -6.463 3.794 213 1HB PHE 30 1HB PHE 30 6.600 -3.918 3.663 214 2HB PHE 30 2HB PHE 30 6.565 -4.974 5.061 215 HD1 PHE 30 HD1 PHE 30 8.184 -4.280 2.009 216 HD2 PHE 30 HD2 PHE 30 7.164 -7.482 4.601 217 HE1 PHE 30 HE1 PHE 30 10.007 -5.679 0.999 218 HE2 PHE 30 HE2 PHE 30 8.987 -8.881 3.591 219 HZ PHE 30 HZ PHE 30 10.386 -7.963 1.801 220 H SER 31 H SER 31 3.766 -6.085 5.743 221 HA SER 31 HA SER 31 2.069 -3.752 5.632 222 1HB SER 31 1HB SER 31 1.499 -6.362 6.188 223 2HB SER 31 2HB SER 31 1.761 -5.773 7.818 224 HG SER 31 HG SER 31 0.251 -3.899 6.739 225 H VAL 32 H VAL 32 1.945 -2.198 7.345 226 HA VAL 32 HA VAL 32 3.913 -2.516 9.485 227 HB VAL 32 HB VAL 32 3.627 -0.157 7.618 228 1HG1 VAL 32 1HG1 VAL 32 3.878 0.916 9.668 229 2HG1 VAL 32 2HG1 VAL 32 4.898 -0.379 10.340 230 3HG1 VAL 32 3HG1 VAL 32 5.563 0.735 9.121 231 1HG2 VAL 32 1HG2 VAL 32 5.991 -1.948 8.277 232 2HG2 VAL 32 2HG2 VAL 32 5.046 -1.964 6.769 233 3HG2 VAL 32 3HG2 VAL 32 6.023 -0.537 7.191 234 H PHE 33 H PHE 33 3.059 -2.047 11.459 235 HA PHE 33 HA PHE 33 0.343 -1.032 11.474 236 1HB PHE 33 1HB PHE 33 2.190 -1.978 13.743 237 2HB PHE 33 2HB PHE 33 0.443 -1.862 13.821 238 HD1 PHE 33 HD1 PHE 33 3.174 -4.012 13.216 239 HD2 PHE 33 HD2 PHE 33 -0.873 -3.352 12.125 240 HE1 PHE 33 HE1 PHE 33 2.982 -6.404 12.481 241 HE2 PHE 33 HE2 PHE 33 -1.065 -5.744 11.390 242 HZ PHE 33 HZ PHE 33 0.865 -7.242 11.576 243 H ILE 34 H ILE 34 -0.178 1.044 11.979 244 HA ILE 34 HA ILE 34 1.920 2.868 12.611 245 HB ILE 34 HB ILE 34 0.258 4.553 12.413 246 1HG1 ILE 34 1HG1 ILE 34 -2.072 2.799 11.998 247 2HG1 ILE 34 2HG1 ILE 34 -1.462 2.791 13.640 248 1HG2 ILE 34 1HG2 ILE 34 -0.873 2.848 10.316 249 2HG2 ILE 34 2HG2 ILE 34 0.075 4.349 10.196 250 3HG2 ILE 34 3HG2 ILE 34 0.904 2.788 10.405 251 1HD1 ILE 34 1HD1 ILE 34 -1.737 5.158 13.883 252 2HD1 ILE 34 2HD1 ILE 34 -1.918 5.392 12.128 253 3HD1 ILE 34 3HD1 ILE 34 -3.212 4.598 13.058 254 H ASP 35 H ASP 35 -0.083 0.734 14.422 255 HA ASP 35 HA ASP 35 -0.603 2.211 16.663 256 1HB ASP 35 1HB ASP 35 -1.022 0.139 17.730 257 2HB ASP 35 2HB ASP 35 -1.292 -0.212 16.035 258 H ASP 36 H ASP 36 0.583 2.396 18.727 259 HA ASP 36 HA ASP 36 2.318 2.315 20.080 260 1HB ASP 36 1HB ASP 36 3.008 0.199 18.550 261 2HB ASP 36 2HB ASP 36 4.255 1.302 18.002 262 H ASP 37 H ASP 37 3.302 2.878 16.615 263 HA ASP 37 HA ASP 37 5.131 4.890 17.279 264 1HB ASP 37 1HB ASP 37 3.690 4.286 14.653 265 2HB ASP 37 2HB ASP 37 5.055 5.375 14.800 266 H ALA 38 H ALA 38 3.818 6.350 18.662 267 HA ALA 38 HA ALA 38 1.385 7.433 17.996 268 1HB ALA 38 1HB ALA 38 3.441 9.154 19.338 269 2HB ALA 38 2HB ALA 38 1.757 8.816 19.804 270 3HB ALA 38 3HB ALA 38 3.025 7.603 20.105 271 H ALA 39 H ALA 39 4.697 8.359 16.953 272 HA ALA 39 HA ALA 39 4.070 10.788 15.779 273 1HB ALA 39 1HB ALA 39 6.069 9.322 14.274 274 2HB ALA 39 2HB ALA 39 6.278 10.704 15.375 275 3HB ALA 39 3HB ALA 39 6.287 9.044 16.018 276 H LEU 40 H LEU 40 3.965 7.421 14.457 277 HA LEU 40 HA LEU 40 3.121 8.286 11.891 278 1HB LEU 40 1HB LEU 40 3.003 5.575 13.219 279 2HB LEU 40 2HB LEU 40 2.699 5.886 11.521 280 HG LEU 40 HG LEU 40 5.330 6.527 12.874 281 1HD1 LEU 40 1HD1 LEU 40 6.147 4.445 12.504 282 2HD1 LEU 40 2HD1 LEU 40 4.436 4.008 12.733 283 3HD1 LEU 40 3HD1 LEU 40 5.104 4.159 11.090 284 1HD2 LEU 40 1HD2 LEU 40 5.871 6.095 10.242 285 2HD2 LEU 40 2HD2 LEU 40 4.251 6.826 10.146 286 3HD2 LEU 40 3HD2 LEU 40 5.571 7.691 10.969 287 H GLU 41 H GLU 41 1.526 7.441 14.957 288 HA GLU 41 HA GLU 41 -1.013 7.074 13.858 289 1HB GLU 41 1HB GLU 41 -0.027 7.778 16.646 290 2HB GLU 41 2HB GLU 41 -1.734 7.590 16.297 291 1HG GLU 41 1HG GLU 41 -0.219 5.358 15.165 292 2HG GLU 41 2HG GLU 41 0.140 5.530 16.871 293 H SER 42 H SER 42 0.657 9.933 15.326 294 HA SER 42 HA SER 42 -1.584 11.597 15.009 295 1HB SER 42 1HB SER 42 0.931 11.736 16.277 296 2HB SER 42 2HB SER 42 0.993 13.001 15.066 297 HG SER 42 HG SER 42 -0.641 12.777 17.369 298 H ALA 43 H ALA 43 1.136 10.596 12.969 299 HA ALA 43 HA ALA 43 0.909 12.749 11.120 300 1HB ALA 43 1HB ALA 43 2.398 10.162 11.365 301 2HB ALA 43 2HB ALA 43 2.221 10.857 9.736 302 3HB ALA 43 3HB ALA 43 3.004 11.801 11.026 303 H TYR 44 H TYR 44 -0.331 9.367 11.349 304 HA TYR 44 HA TYR 44 -1.924 9.888 8.941 305 1HB TYR 44 1HB TYR 44 -1.048 7.420 10.559 306 2HB TYR 44 2HB TYR 44 -2.205 7.295 9.249 307 HD1 TYR 44 HD1 TYR 44 -1.214 8.809 7.066 308 HD2 TYR 44 HD2 TYR 44 1.031 6.601 9.963 309 HE1 TYR 44 HE1 TYR 44 0.698 8.564 5.408 310 HE2 TYR 44 HE2 TYR 44 2.935 6.363 8.295 311 HH TYR 44 HH TYR 44 3.713 6.953 6.360 312 H GLY 45 H GLY 45 -2.355 7.873 11.933 313 1HA GLY 45 1HA GLY 45 -4.104 7.646 13.324 314 2HA GLY 45 2HA GLY 45 -4.483 9.327 13.008 315 H LEU 46 H LEU 46 -5.822 9.871 11.078 316 HA LEU 46 HA LEU 46 -7.876 7.881 10.755 317 1HB LEU 46 1HB LEU 46 -7.547 10.781 10.280 318 2HB LEU 46 2HB LEU 46 -8.625 9.947 9.178 319 HG LEU 46 HG LEU 46 -9.814 10.948 11.077 320 1HD1 LEU 46 1HD1 LEU 46 -11.161 9.009 11.697 321 2HD1 LEU 46 2HD1 LEU 46 -10.747 8.975 9.966 322 3HD1 LEU 46 3HD1 LEU 46 -9.884 7.918 11.109 323 1HD2 LEU 46 1HD2 LEU 46 -9.086 10.848 13.170 324 2HD2 LEU 46 2HD2 LEU 46 -9.102 9.068 13.142 325 3HD2 LEU 46 3HD2 LEU 46 -7.659 9.955 12.592 326 H ARG 47 H ARG 47 -5.124 9.222 8.960 327 HA ARG 47 HA ARG 47 -6.033 7.947 6.555 328 1HB ARG 47 1HB ARG 47 -3.504 9.544 7.203 329 2HB ARG 47 2HB ARG 47 -3.867 8.906 5.611 330 1HG ARG 47 1HG ARG 47 -5.215 10.672 5.160 331 2HG ARG 47 2HG ARG 47 -6.201 10.325 6.566 332 1HD ARG 47 1HD ARG 47 -5.237 11.998 7.793 333 2HD ARG 47 2HD ARG 47 -3.616 11.535 7.314 334 HE ARG 47 HE ARG 47 -5.299 13.562 6.040 335 1HH1 ARG 47 2HH2 ARG 47 -2.589 11.367 5.568 336 2HH1 ARG 47 1HH2 ARG 47 -1.905 12.287 4.270 337 1HH2 ARG 47 2HH1 ARG 47 -4.397 14.776 4.327 338 2HH2 ARG 47 1HH1 ARG 47 -2.940 14.239 3.559 339 H VAL 48 H VAL 48 -5.562 6.170 8.781 340 HA VAL 48 HA VAL 48 -3.052 5.082 8.960 341 HB VAL 48 HB VAL 48 -5.823 4.279 9.494 342 1HG1 VAL 48 1HG1 VAL 48 -5.501 2.277 8.375 343 2HG1 VAL 48 2HG1 VAL 48 -3.755 2.238 8.721 344 3HG1 VAL 48 3HG1 VAL 48 -4.926 1.866 10.009 345 1HG2 VAL 48 1HG2 VAL 48 -3.926 3.213 11.346 346 2HG2 VAL 48 2HG2 VAL 48 -3.410 4.860 10.910 347 3HG2 VAL 48 3HG2 VAL 48 -5.044 4.582 11.560 348 HA PRO 49 HA PRO 49 -4.139 2.448 5.183 349 1HB PRO 49 1HB PRO 49 -6.329 3.066 3.668 350 2HB PRO 49 2HB PRO 49 -6.345 1.841 4.921 351 1HG PRO 49 1HG PRO 49 -7.494 4.564 4.976 352 2HG PRO 49 2HG PRO 49 -7.854 3.199 6.015 353 1HD PRO 49 1HD PRO 49 -6.240 5.478 6.672 354 2HD PRO 49 2HD PRO 49 -6.506 4.059 7.667 355 H VAL 50 H VAL 50 -2.205 3.869 4.954 356 HA VAL 50 HA VAL 50 -2.648 5.549 2.582 357 HB VAL 50 HB VAL 50 -0.983 5.911 5.045 358 1HG1 VAL 50 1HG1 VAL 50 0.805 6.328 3.705 359 2HG1 VAL 50 2HG1 VAL 50 -0.201 6.631 2.268 360 3HG1 VAL 50 3HG1 VAL 50 -0.006 7.900 3.502 361 1HG2 VAL 50 1HG2 VAL 50 -2.339 8.093 3.492 362 2HG2 VAL 50 2HG2 VAL 50 -3.325 6.970 4.459 363 3HG2 VAL 50 3HG2 VAL 50 -2.058 7.944 5.243 364 H LEU 51 H LEU 51 -1.625 4.899 0.755 365 HA LEU 51 HA LEU 51 0.148 2.626 0.974 366 1HB LEU 51 1HB LEU 51 -1.794 2.991 -0.695 367 2HB LEU 51 2HB LEU 51 -0.666 4.014 -1.562 368 HG LEU 51 HG LEU 51 0.288 2.258 -2.527 369 1HD1 LEU 51 1HD1 LEU 51 1.425 0.499 -1.331 370 2HD1 LEU 51 2HD1 LEU 51 1.692 2.047 -0.495 371 3HD1 LEU 51 3HD1 LEU 51 0.524 0.873 0.157 372 1HD2 LEU 51 1HD2 LEU 51 -1.061 0.490 -2.908 373 2HD2 LEU 51 2HD2 LEU 51 -1.302 0.154 -1.177 374 3HD2 LEU 51 3HD2 LEU 51 -2.226 1.454 -1.968 375 H ARG 52 H ARG 52 2.283 2.892 1.309 376 HA ARG 52 HA ARG 52 3.424 5.368 0.294 377 1HB ARG 52 1HB ARG 52 3.561 5.046 2.779 378 2HB ARG 52 2HB ARG 52 4.424 3.541 2.538 379 1HG ARG 52 1HG ARG 52 5.756 5.600 1.002 380 2HG ARG 52 2HG ARG 52 5.498 6.210 2.624 381 1HD ARG 52 1HD ARG 52 6.352 3.601 3.116 382 2HD ARG 52 2HD ARG 52 7.284 4.028 1.694 383 HE ARG 52 HE ARG 52 7.494 5.252 4.367 384 1HH1 ARG 52 2HH2 ARG 52 8.282 5.533 0.949 385 2HH1 ARG 52 1HH2 ARG 52 9.598 6.628 1.211 386 1HH2 ARG 52 2HH1 ARG 52 9.230 6.697 4.713 387 2HH2 ARG 52 1HH1 ARG 52 10.141 7.295 3.367 388 H ASP 53 H ASP 53 5.458 5.262 -0.868 389 HA ASP 53 HA ASP 53 6.008 2.573 -1.837 390 1HB ASP 53 1HB ASP 53 5.876 5.249 -3.087 391 2HB ASP 53 2HB ASP 53 7.343 4.390 -3.509 392 HA PRO 54 HA PRO 54 10.115 3.013 -0.357 393 1HB PRO 54 1HB PRO 54 11.670 1.821 -2.261 394 2HB PRO 54 2HB PRO 54 10.744 0.919 -1.077 395 1HG PRO 54 1HG PRO 54 10.182 1.325 -3.951 396 2HG PRO 54 2HG PRO 54 9.532 0.112 -2.866 397 1HD PRO 54 1HD PRO 54 8.197 2.473 -3.798 398 2HD PRO 54 2HD PRO 54 7.592 1.321 -2.624 399 H MET 55 H MET 55 9.491 4.329 -3.475 400 HA MET 55 HA MET 55 11.920 5.659 -3.743 401 1HB MET 55 1HB MET 55 9.097 6.068 -4.832 402 2HB MET 55 2HB MET 55 10.377 7.185 -5.263 403 1HG MET 55 1HG MET 55 10.508 4.160 -5.691 404 2HG MET 55 2HG MET 55 10.088 5.320 -6.936 405 1HE MET 55 1HE MET 55 11.606 6.594 -8.288 406 2HE MET 55 2HE MET 55 13.315 6.122 -8.446 407 3HE MET 55 3HE MET 55 12.033 4.902 -8.636 408 H GLY 56 H GLY 56 8.692 6.765 -2.498 409 1HA GLY 56 1HA GLY 56 9.080 8.113 -0.367 410 2HA GLY 56 2HA GLY 56 10.020 9.163 -1.408 411 H ARG 57 H ARG 57 6.897 7.382 -1.952 412 HA ARG 57 HA ARG 57 5.622 9.969 -2.196 413 1HB ARG 57 1HB ARG 57 5.187 7.734 -4.235 414 2HB ARG 57 2HB ARG 57 4.539 9.361 -4.307 415 1HG ARG 57 1HG ARG 57 7.224 9.918 -4.113 416 2HG ARG 57 2HG ARG 57 7.289 8.381 -4.952 417 1HD ARG 57 1HD ARG 57 7.091 9.855 -6.763 418 2HD ARG 57 2HD ARG 57 5.408 9.445 -6.497 419 HE ARG 57 HE ARG 57 5.010 11.615 -5.641 420 1HH1 ARG 57 2HH2 ARG 57 8.456 11.092 -6.122 421 2HH1 ARG 57 1HH2 ARG 57 8.869 12.761 -5.910 422 1HH2 ARG 57 2HH1 ARG 57 5.554 13.817 -5.362 423 2HH2 ARG 57 1HH1 ARG 57 7.207 14.322 -5.475 424 H GLU 58 H GLU 58 3.173 9.775 -2.092 425 HA GLU 58 HA GLU 58 2.369 7.245 -0.899 426 1HB GLU 58 1HB GLU 58 1.912 10.043 0.201 427 2HB GLU 58 2HB GLU 58 0.904 8.692 0.677 428 1HG GLU 58 1HG GLU 58 3.346 7.546 1.051 429 2HG GLU 58 2HG GLU 58 3.793 9.222 1.301 430 H LEU 59 H LEU 59 -0.161 7.132 -0.770 431 HA LEU 59 HA LEU 59 -1.355 8.648 -2.965 432 1HB LEU 59 1HB LEU 59 -0.464 6.330 -3.644 433 2HB LEU 59 2HB LEU 59 -1.787 5.685 -2.694 434 HG LEU 59 HG LEU 59 -3.414 6.849 -4.106 435 1HD1 LEU 59 1HD1 LEU 59 -1.966 7.649 -6.360 436 2HD1 LEU 59 2HD1 LEU 59 -2.802 8.692 -5.184 437 3HD1 LEU 59 3HD1 LEU 59 -1.074 8.320 -4.974 438 1HD2 LEU 59 1HD2 LEU 59 -3.416 4.986 -5.304 439 2HD2 LEU 59 2HD2 LEU 59 -2.141 5.660 -6.348 440 3HD2 LEU 59 3HD2 LEU 59 -1.702 4.705 -4.910 441 H ASP 60 H ASP 60 -3.621 8.995 -2.741 442 HA ASP 60 HA ASP 60 -4.437 9.206 -0.101 443 1HB ASP 60 1HB ASP 60 -5.320 10.072 -2.641 444 2HB ASP 60 2HB ASP 60 -6.647 9.097 -2.044 445 H TRP 61 H TRP 61 -5.994 7.936 1.109 446 HA TRP 61 HA TRP 61 -5.944 5.233 0.848 447 1HB TRP 61 1HB TRP 61 -6.813 5.640 2.847 448 2HB TRP 61 2HB TRP 61 -7.457 7.195 2.359 449 HD1 TRP 61 HD1 TRP 61 -10.003 7.157 2.932 450 HE1 TRP 61 HE1 TRP 61 -12.071 5.542 2.654 451 HE3 TRP 61 HE3 TRP 61 -7.377 3.278 0.954 452 HZ2 TRP 61 HZ2 TRP 61 -12.371 2.884 1.661 453 HZ3 TRP 61 HZ3 TRP 61 -8.633 1.209 0.358 454 HH2 TRP 61 HH2 TRP 61 -11.044 0.975 0.682 455 HA PRO 62 HA PRO 62 -9.883 5.538 -1.775 456 1HB PRO 62 1HB PRO 62 -10.809 7.973 -2.600 457 2HB PRO 62 2HB PRO 62 -11.412 7.152 -1.175 458 1HG PRO 62 1HG PRO 62 -9.593 9.476 -1.344 459 2HG PRO 62 2HG PRO 62 -10.532 8.914 0.025 460 1HD PRO 62 1HD PRO 62 -7.714 8.566 -0.382 461 2HD PRO 62 2HD PRO 62 -8.673 7.905 0.927 462 H PHE 63 H PHE 63 -9.183 4.514 -3.537 463 HA PHE 63 HA PHE 63 -8.310 6.235 -5.681 464 1HB PHE 63 1HB PHE 63 -6.319 4.394 -5.843 465 2HB PHE 63 2HB PHE 63 -6.118 5.849 -4.888 466 HD1 PHE 63 HD1 PHE 63 -8.154 2.864 -4.028 467 HD2 PHE 63 HD2 PHE 63 -4.666 5.133 -3.199 468 HE1 PHE 63 HE1 PHE 63 -7.730 1.466 -1.987 469 HE2 PHE 63 HE2 PHE 63 -4.241 3.736 -1.158 470 HZ PHE 63 HZ PHE 63 -5.779 1.919 -0.576 471 H ASP 64 H ASP 64 -7.375 4.359 -7.480 472 HA ASP 64 HA ASP 64 -9.493 2.360 -7.498 473 1HB ASP 64 1HB ASP 64 -8.453 3.772 -9.988 474 2HB ASP 64 2HB ASP 64 -9.854 2.727 -9.869 475 H ALA 65 H ALA 65 -8.799 0.907 -9.750 476 HA ALA 65 HA ALA 65 -6.336 -0.296 -8.953 477 1HB ALA 65 1HB ALA 65 -7.183 -2.073 -10.066 478 2HB ALA 65 2HB ALA 65 -8.675 -1.113 -10.202 479 3HB ALA 65 3HB ALA 65 -7.493 -1.114 -11.533 480 HA PRO 66 HA PRO 66 -5.002 1.602 -13.081 481 1HB PRO 66 1HB PRO 66 -6.594 3.450 -14.313 482 2HB PRO 66 2HB PRO 66 -6.597 1.749 -14.736 483 1HG PRO 66 1HG PRO 66 -8.601 3.279 -13.192 484 2HG PRO 66 2HG PRO 66 -8.775 1.723 -13.979 485 1HD PRO 66 1HD PRO 66 -8.438 2.198 -11.170 486 2HD PRO 66 2HD PRO 66 -8.496 0.640 -11.970 487 H ARG 67 H ARG 67 -6.576 3.492 -10.703 488 HA ARG 67 HA ARG 67 -4.942 5.757 -11.259 489 1HB ARG 67 1HB ARG 67 -7.381 5.425 -10.023 490 2HB ARG 67 2HB ARG 67 -6.341 5.541 -8.618 491 1HG ARG 67 1HG ARG 67 -5.689 7.742 -9.096 492 2HG ARG 67 2HG ARG 67 -5.938 7.559 -10.821 493 1HD ARG 67 1HD ARG 67 -8.478 7.167 -9.463 494 2HD ARG 67 2HD ARG 67 -7.755 8.657 -8.890 495 HE ARG 67 HE ARG 67 -7.544 8.465 -11.773 496 1HH1 ARG 67 2HH2 ARG 67 -9.814 9.190 -9.184 497 2HH1 ARG 67 1HH2 ARG 67 -10.816 10.199 -10.173 498 1HH2 ARG 67 2HH1 ARG 67 -8.865 9.797 -13.078 499 2HH2 ARG 67 1HH1 ARG 67 -10.273 10.547 -12.402 500 H LEU 68 H LEU 68 -4.979 2.925 -9.096 501 HA LEU 68 HA LEU 68 -2.927 3.970 -7.383 502 1HB LEU 68 1HB LEU 68 -4.755 2.446 -6.651 503 2HB LEU 68 2HB LEU 68 -4.035 1.170 -7.613 504 HG LEU 68 HG LEU 68 -1.942 2.119 -5.994 505 1HD1 LEU 68 1HD1 LEU 68 -4.578 2.248 -4.595 506 2HD1 LEU 68 2HD1 LEU 68 -3.180 1.585 -3.715 507 3HD1 LEU 68 3HD1 LEU 68 -3.111 3.235 -4.381 508 1HD2 LEU 68 1HD2 LEU 68 -2.705 -0.170 -4.758 509 2HD2 LEU 68 2HD2 LEU 68 -3.554 -0.337 -6.313 510 3HD2 LEU 68 3HD2 LEU 68 -1.789 -0.106 -6.283 511 H ARG 69 H ARG 69 -3.204 1.747 -10.190 512 HA ARG 69 HA ARG 69 -0.570 0.858 -10.025 513 1HB ARG 69 1HB ARG 69 -2.289 -0.355 -11.315 514 2HB ARG 69 2HB ARG 69 -2.509 1.016 -12.385 515 1HG ARG 69 1HG ARG 69 -1.058 -0.273 -13.675 516 2HG ARG 69 2HG ARG 69 0.102 0.728 -12.824 517 1HD ARG 69 1HD ARG 69 0.947 -1.043 -11.638 518 2HD ARG 69 2HD ARG 69 -0.643 -1.697 -11.298 519 HE ARG 69 HE ARG 69 -0.497 -3.047 -13.223 520 1HH1 ARG 69 2HH2 ARG 69 2.078 -0.648 -13.245 521 2HH1 ARG 69 1HH2 ARG 69 2.917 -1.375 -14.574 522 1HH2 ARG 69 2HH1 ARG 69 0.611 -4.006 -14.976 523 2HH2 ARG 69 1HH1 ARG 69 2.077 -3.298 -15.565 524 H ALA 70 H ALA 70 -2.209 3.441 -11.978 525 HA ALA 70 HA ALA 70 0.018 4.235 -13.436 526 1HB ALA 70 1HB ALA 70 -2.569 5.528 -12.566 527 2HB ALA 70 2HB ALA 70 -1.346 6.473 -13.449 528 3HB ALA 70 3HB ALA 70 -2.055 5.019 -14.192 529 H TRP 71 H TRP 71 -0.979 4.847 -10.082 530 HA TRP 71 HA TRP 71 0.788 7.049 -9.704 531 1HB TRP 71 1HB TRP 71 -1.130 6.937 -8.331 532 2HB TRP 71 2HB TRP 71 -0.804 5.281 -7.857 533 HD1 TRP 71 HD1 TRP 71 0.519 8.862 -7.177 534 HE1 TRP 71 HE1 TRP 71 1.822 8.965 -4.885 535 HE3 TRP 71 HE3 TRP 71 0.394 3.858 -6.277 536 HZ2 TRP 71 HZ2 TRP 71 2.637 6.988 -2.995 537 HZ3 TRP 71 HZ3 TRP 71 1.467 3.027 -4.186 538 HH2 TRP 71 HH2 TRP 71 2.561 4.503 -2.574 539 H LEU 72 H LEU 72 0.909 3.489 -9.477 540 HA LEU 72 HA LEU 72 3.278 3.343 -7.968 541 1HB LEU 72 1HB LEU 72 1.810 1.448 -9.784 542 2HB LEU 72 2HB LEU 72 3.343 1.013 -9.057 543 HG LEU 72 HG LEU 72 0.925 1.884 -7.455 544 1HD1 LEU 72 1HD1 LEU 72 0.018 -0.063 -8.100 545 2HD1 LEU 72 2HD1 LEU 72 1.565 -0.706 -8.701 546 3HD1 LEU 72 3HD1 LEU 72 1.182 -0.789 -6.965 547 1HD2 LEU 72 1HD2 LEU 72 2.880 0.160 -6.153 548 2HD2 LEU 72 2HD2 LEU 72 3.594 1.690 -6.720 549 3HD2 LEU 72 3HD2 LEU 72 2.187 1.714 -5.629 550 H ASP 73 H ASP 73 2.581 3.445 -11.507 551 HA ASP 73 HA ASP 73 5.324 3.180 -12.145 552 1HB ASP 73 1HB ASP 73 2.814 3.132 -13.515 553 2HB ASP 73 2HB ASP 73 3.736 4.430 -14.248 554 H ALA 74 H ALA 74 3.320 5.696 -10.949 555 HA ALA 74 HA ALA 74 4.723 7.830 -12.329 556 1HB ALA 74 1HB ALA 74 2.533 7.870 -10.213 557 2HB ALA 74 2HB ALA 74 3.123 9.272 -11.137 558 3HB ALA 74 3HB ALA 74 2.275 7.949 -11.972 559 H ALA 75 H ALA 75 4.954 5.877 -9.464 560 HA ALA 75 HA ALA 75 5.925 7.547 -7.561 561 1HB ALA 75 1HB ALA 75 7.510 5.088 -7.831 562 2HB ALA 75 2HB ALA 75 6.397 5.590 -6.536 563 3HB ALA 75 3HB ALA 75 5.762 4.805 -8.002 564 HA PRO 76 HA PRO 76 10.156 7.431 -9.674 565 1HB PRO 76 1HB PRO 76 10.426 6.339 -12.165 566 2HB PRO 76 2HB PRO 76 10.767 5.457 -10.690 567 1HG PRO 76 1HG PRO 76 8.435 5.222 -12.492 568 2HG PRO 76 2HG PRO 76 9.005 4.091 -11.280 569 1HD PRO 76 1HD PRO 76 6.767 5.871 -11.050 570 2HD PRO 76 2HD PRO 76 7.407 4.824 -9.799 571 H HIS 77 H HIS 77 11.252 8.308 -11.962 572 HA HIS 77 HA HIS 77 9.434 10.522 -12.569 573 1HB HIS 77 1HB HIS 77 12.332 10.795 -13.138 574 2HB HIS 77 2HB HIS 77 11.181 11.976 -12.545 575 HD1 HIS 77 HD1 HIS 77 14.083 10.284 -11.447 576 HD2 HIS 77 HD2 HIS 77 10.380 11.114 -9.660 577 HE1 HIS 77 HE1 HIS 77 14.446 10.095 -8.929 578 H ALA 78 H ALA 78 8.329 9.775 -14.370 579 HA ALA 78 HA ALA 78 10.011 9.311 -16.715 580 1HB ALA 78 1HB ALA 78 8.258 7.371 -15.366 581 2HB ALA 78 2HB ALA 78 7.868 7.587 -17.089 582 3HB ALA 78 3HB ALA 78 9.512 7.110 -16.602 Start of MODEL 15 1 1H MET 1 1H MET 1 11.340 -0.487 -4.483 2 HA MET 1 HA MET 1 10.269 -1.785 -5.881 3 1HB MET 1 1HB MET 1 12.254 -3.337 -5.812 4 2HB MET 1 2HB MET 1 11.588 -4.129 -4.398 5 1HG MET 1 1HG MET 1 9.666 -4.950 -5.667 6 2HG MET 1 2HG MET 1 10.094 -3.974 -7.058 7 1HE MET 1 1HE MET 1 10.289 -7.880 -6.840 8 2HE MET 1 2HE MET 1 9.319 -6.492 -7.389 9 3HE MET 1 3HE MET 1 10.516 -7.228 -8.481 10 H ALA 2 H ALA 2 10.369 -3.411 -2.626 11 HA ALA 2 HA ALA 2 7.672 -4.256 -2.799 12 1HB ALA 2 1HB ALA 2 8.635 -5.582 -1.246 13 2HB ALA 2 2HB ALA 2 9.943 -4.413 -0.944 14 3HB ALA 2 3HB ALA 2 8.381 -4.237 -0.108 15 H LEU 3 H LEU 3 5.820 -3.435 -1.670 16 HA LEU 3 HA LEU 3 6.031 -0.558 -1.203 17 1HB LEU 3 1HB LEU 3 3.793 -2.406 -1.969 18 2HB LEU 3 2HB LEU 3 3.453 -0.836 -1.266 19 HG LEU 3 HG LEU 3 5.189 -1.163 -3.720 20 1HD1 LEU 3 1HD1 LEU 3 2.857 -0.247 -4.737 21 2HD1 LEU 3 2HD1 LEU 3 3.336 -1.961 -4.721 22 3HD1 LEU 3 3HD1 LEU 3 2.246 -1.331 -3.463 23 1HD2 LEU 3 1HD2 LEU 3 5.160 1.100 -3.922 24 2HD2 LEU 3 2HD2 LEU 3 3.554 1.265 -3.172 25 3HD2 LEU 3 3HD2 LEU 3 4.988 0.988 -2.154 26 H THR 4 H THR 4 4.037 0.029 0.503 27 HA THR 4 HA THR 4 4.081 -1.777 2.757 28 HB THR 4 HB THR 4 5.457 0.960 2.809 29 HG1 THR 4 HG1 THR 4 7.188 -0.403 2.604 30 1HG2 THR 4 1HG2 THR 4 4.145 -0.514 4.936 31 2HG2 THR 4 2HG2 THR 4 5.907 -0.631 5.165 32 3HG2 THR 4 3HG2 THR 4 5.125 0.966 5.068 33 H LEU 5 H LEU 5 1.979 -1.908 3.222 34 HA LEU 5 HA LEU 5 0.416 0.557 2.972 35 1HB LEU 5 1HB LEU 5 -0.521 -1.063 1.600 36 2HB LEU 5 2HB LEU 5 -0.234 -2.359 2.744 37 HG LEU 5 HG LEU 5 -1.951 -0.865 4.202 38 1HD1 LEU 5 1HD1 LEU 5 -2.170 0.801 2.364 39 2HD1 LEU 5 2HD1 LEU 5 -2.895 -0.470 1.351 40 3HD1 LEU 5 3HD1 LEU 5 -3.710 0.050 2.846 41 1HD2 LEU 5 1HD2 LEU 5 -2.602 -2.980 2.136 42 2HD2 LEU 5 2HD2 LEU 5 -2.227 -3.214 3.860 43 3HD2 LEU 5 3HD2 LEU 5 -3.741 -2.411 3.380 44 H TYR 6 H TYR 6 0.043 1.661 4.810 45 HA TYR 6 HA TYR 6 0.603 0.454 7.338 46 1HB TYR 6 1HB TYR 6 -0.612 3.085 6.300 47 2HB TYR 6 2HB TYR 6 -0.356 2.807 8.011 48 HD1 TYR 6 HD1 TYR 6 2.139 2.030 8.631 49 HD2 TYR 6 HD2 TYR 6 1.041 4.208 5.116 50 HE1 TYR 6 HE1 TYR 6 4.523 2.883 8.406 51 HE2 TYR 6 HE2 TYR 6 3.428 5.054 4.903 52 HH TYR 6 HH TYR 6 5.725 4.623 7.436 53 H GLN 7 H GLN 7 -0.788 -0.398 8.839 54 HA GLN 7 HA GLN 7 -3.542 0.243 8.753 55 1HB GLN 7 1HB GLN 7 -4.385 -2.048 8.330 56 2HB GLN 7 2HB GLN 7 -3.523 -1.419 6.941 57 1HG GLN 7 1HG GLN 7 -1.761 -2.908 7.172 58 2HG GLN 7 2HG GLN 7 -1.857 -2.923 8.922 59 1HE2 GLN 7 1HE2 GLN 7 -1.817 -5.011 6.720 60 2HE2 GLN 7 2HE2 GLN 7 -3.113 -6.098 7.095 61 H ARG 8 H ARG 8 -4.586 -0.304 10.735 62 HA ARG 8 HA ARG 8 -2.728 -0.932 12.798 63 1HB ARG 8 1HB ARG 8 -4.561 -0.357 14.325 64 2HB ARG 8 2HB ARG 8 -4.510 0.834 13.041 65 1HG ARG 8 1HG ARG 8 -6.202 -1.324 12.151 66 2HG ARG 8 2HG ARG 8 -6.690 -0.912 13.783 67 1HD ARG 8 1HD ARG 8 -6.736 1.546 13.051 68 2HD ARG 8 2HD ARG 8 -6.477 0.996 11.408 69 HE ARG 8 HE ARG 8 -8.725 -0.329 12.761 70 1HH1 ARG 8 2HH2 ARG 8 -7.730 2.406 10.782 71 2HH1 ARG 8 1HH2 ARG 8 -9.318 2.693 10.153 72 1HH2 ARG 8 2HH1 ARG 8 -10.820 0.049 11.932 73 2HH2 ARG 8 1HH1 ARG 8 -11.088 1.343 10.812 74 H ASP 9 H ASP 9 -3.843 -2.442 14.686 75 HA ASP 9 HA ASP 9 -3.834 -4.995 13.593 76 1HB ASP 9 1HB ASP 9 -3.392 -4.043 16.054 77 2HB ASP 9 2HB ASP 9 -5.092 -4.399 16.280 78 H ASP 10 H ASP 10 -5.587 -4.960 11.967 79 HA ASP 10 HA ASP 10 -7.903 -6.080 12.722 80 1HB ASP 10 1HB ASP 10 -7.962 -3.310 13.415 81 2HB ASP 10 2HB ASP 10 -8.974 -3.463 11.993 82 H CYS 11 H CYS 11 -9.724 -5.594 10.838 83 HA CYS 11 HA CYS 11 -8.512 -4.637 8.410 84 1HB CYS 11 1HB CYS 11 -9.218 -6.861 7.250 85 2HB CYS 11 2HB CYS 11 -7.669 -6.764 8.063 86 HG CYS 11 HG CYS 11 -9.781 -8.872 8.376 87 H HIS 12 H HIS 12 -10.126 -3.638 7.214 88 HA HIS 12 HA HIS 12 -12.763 -4.634 7.156 89 1HB HIS 12 1HB HIS 12 -12.179 -3.005 9.381 90 2HB HIS 12 2HB HIS 12 -13.056 -1.974 8.268 91 HD1 HIS 12 HD1 HIS 12 -15.406 -1.918 9.126 92 HD2 HIS 12 HD2 HIS 12 -13.815 -5.799 9.124 93 HE1 HIS 12 HE1 HIS 12 -17.302 -3.468 9.840 94 H LEU 13 H LEU 13 -11.439 -1.254 7.141 95 HA LEU 13 HA LEU 13 -12.549 -0.845 4.535 96 1HB LEU 13 1HB LEU 13 -12.678 0.956 6.039 97 2HB LEU 13 2HB LEU 13 -10.986 0.834 6.479 98 HG LEU 13 HG LEU 13 -11.215 1.336 3.644 99 1HD1 LEU 13 1HD1 LEU 13 -12.071 3.792 4.150 100 2HD1 LEU 13 2HD1 LEU 13 -13.191 2.474 3.730 101 3HD1 LEU 13 3HD1 LEU 13 -12.977 2.952 5.432 102 1HD2 LEU 13 1HD2 LEU 13 -10.067 3.558 4.705 103 2HD2 LEU 13 2HD2 LEU 13 -9.800 2.381 6.013 104 3HD2 LEU 13 3HD2 LEU 13 -9.207 2.036 4.370 105 H CYS 14 H CYS 14 -9.423 -1.737 5.948 106 HA CYS 14 HA CYS 14 -7.776 -1.013 3.856 107 1HB CYS 14 1HB CYS 14 -6.185 -2.603 4.754 108 2HB CYS 14 2HB CYS 14 -6.979 -1.764 6.071 109 HG CYS 14 HG CYS 14 -7.144 -3.925 7.141 110 H ASP 15 H ASP 15 -10.251 -3.486 4.162 111 HA ASP 15 HA ASP 15 -9.406 -5.439 2.519 112 1HB ASP 15 1HB ASP 15 -11.736 -5.958 2.143 113 2HB ASP 15 2HB ASP 15 -11.611 -5.297 3.761 114 H GLN 16 H GLN 16 -11.132 -2.354 1.644 115 HA GLN 16 HA GLN 16 -11.146 -2.851 -1.091 116 1HB GLN 16 1HB GLN 16 -11.744 -0.590 0.725 117 2HB GLN 16 2HB GLN 16 -11.197 -0.081 -0.860 118 1HG GLN 16 1HG GLN 16 -12.946 -2.045 -1.604 119 2HG GLN 16 2HG GLN 16 -13.689 -1.561 -0.093 120 1HE2 GLN 16 1HE2 GLN 16 -14.677 0.376 0.112 121 2HE2 GLN 16 2HE2 GLN 16 -14.925 1.503 -1.180 122 H ALA 17 H ALA 17 -8.739 -1.437 1.124 123 HA ALA 17 HA ALA 17 -7.146 -0.206 -0.837 124 1HB ALA 17 1HB ALA 17 -6.076 0.484 1.015 125 2HB ALA 17 2HB ALA 17 -7.207 -0.503 1.972 126 3HB ALA 17 3HB ALA 17 -5.649 -1.188 1.451 127 H VAL 18 H VAL 18 -7.073 -3.475 0.723 128 HA VAL 18 HA VAL 18 -4.795 -4.331 -0.693 129 HB VAL 18 HB VAL 18 -7.036 -5.874 0.629 130 1HG1 VAL 18 1HG1 VAL 18 -4.988 -7.549 0.851 131 2HG1 VAL 18 2HG1 VAL 18 -6.029 -7.538 -0.592 132 3HG1 VAL 18 3HG1 VAL 18 -4.451 -6.716 -0.628 133 1HG2 VAL 18 1HG2 VAL 18 -5.421 -6.055 2.525 134 2HG2 VAL 18 2HG2 VAL 18 -4.354 -4.910 1.677 135 3HG2 VAL 18 3HG2 VAL 18 -5.970 -4.391 2.212 136 H GLU 19 H GLU 19 -8.303 -4.300 -1.371 137 HA GLU 19 HA GLU 19 -8.230 -6.099 -3.479 138 1HB GLU 19 1HB GLU 19 -10.170 -4.585 -2.150 139 2HB GLU 19 2HB GLU 19 -10.205 -3.926 -3.773 140 1HG GLU 19 1HG GLU 19 -10.273 -6.400 -4.591 141 2HG GLU 19 2HG GLU 19 -10.632 -6.819 -2.928 142 H ALA 20 H ALA 20 -8.033 -2.475 -3.412 143 HA ALA 20 HA ALA 20 -7.825 -2.129 -6.164 144 1HB ALA 20 1HB ALA 20 -8.232 -0.142 -5.098 145 2HB ALA 20 2HB ALA 20 -7.236 -0.571 -3.686 146 3HB ALA 20 3HB ALA 20 -6.459 -0.010 -5.186 147 H LEU 21 H LEU 21 -5.392 -2.889 -3.635 148 HA LEU 21 HA LEU 21 -3.135 -2.463 -5.226 149 1HB LEU 21 1HB LEU 21 -3.798 -3.617 -2.636 150 2HB LEU 21 2HB LEU 21 -2.488 -4.473 -3.423 151 HG LEU 21 HG LEU 21 -2.339 -1.490 -3.347 152 1HD1 LEU 21 1HD1 LEU 21 -2.878 -1.618 -1.120 153 2HD1 LEU 21 2HD1 LEU 21 -2.231 -3.266 -0.938 154 3HD1 LEU 21 3HD1 LEU 21 -1.119 -1.881 -1.051 155 1HD2 LEU 21 1HD2 LEU 21 -0.498 -3.806 -3.581 156 2HD2 LEU 21 2HD2 LEU 21 -0.462 -2.216 -4.379 157 3HD2 LEU 21 3HD2 LEU 21 0.112 -2.383 -2.703 158 H ALA 22 H ALA 22 -4.904 -5.539 -4.432 159 HA ALA 22 HA ALA 22 -3.414 -7.178 -6.077 160 1HB ALA 22 1HB ALA 22 -5.731 -7.322 -4.442 161 2HB ALA 22 2HB ALA 22 -6.196 -7.969 -6.033 162 3HB ALA 22 3HB ALA 22 -4.816 -8.671 -5.156 163 H GLN 23 H GLN 23 -6.387 -5.238 -6.786 164 HA GLN 23 HA GLN 23 -6.751 -6.140 -9.347 165 1HB GLN 23 1HB GLN 23 -7.460 -3.611 -7.867 166 2HB GLN 23 2HB GLN 23 -7.727 -3.659 -9.598 167 1HG GLN 23 1HG GLN 23 -8.722 -6.139 -8.650 168 2HG GLN 23 2HG GLN 23 -9.241 -4.967 -7.455 169 1HE2 GLN 23 1HE2 GLN 23 -11.062 -3.969 -7.819 170 2HE2 GLN 23 2HE2 GLN 23 -11.832 -3.706 -9.349 171 H ALA 24 H ALA 24 -4.767 -3.370 -8.121 172 HA ALA 24 HA ALA 24 -3.924 -2.567 -10.699 173 1HB ALA 24 1HB ALA 24 -2.033 -1.750 -8.753 174 2HB ALA 24 2HB ALA 24 -3.389 -0.805 -9.413 175 3HB ALA 24 3HB ALA 24 -3.613 -1.766 -7.932 176 H ARG 25 H ARG 25 -3.257 -5.330 -8.816 177 HA ARG 25 HA ARG 25 -1.806 -6.924 -8.951 178 1HB ARG 25 1HB ARG 25 -1.200 -5.641 -11.656 179 2HB ARG 25 2HB ARG 25 -0.455 -7.144 -11.149 180 1HG ARG 25 1HG ARG 25 -2.418 -8.358 -11.354 181 2HG ARG 25 2HG ARG 25 -3.431 -7.019 -10.851 182 1HD ARG 25 1HD ARG 25 -2.542 -5.993 -13.209 183 2HD ARG 25 2HD ARG 25 -2.400 -7.697 -13.594 184 HE ARG 25 HE ARG 25 -4.928 -7.496 -12.457 185 1HH1 ARG 25 2HH2 ARG 25 -3.294 -5.896 -15.131 186 2HH1 ARG 25 1HH2 ARG 25 -4.752 -5.618 -16.023 187 1HH2 ARG 25 2HH1 ARG 25 -6.852 -7.129 -13.633 188 2HH2 ARG 25 1HH1 ARG 25 -6.790 -6.324 -15.166 189 H ALA 26 H ALA 26 -1.008 -4.622 -7.476 190 HA ALA 26 HA ALA 26 1.450 -3.551 -8.108 191 1HB ALA 26 1HB ALA 26 1.596 -3.091 -5.674 192 2HB ALA 26 2HB ALA 26 -0.023 -2.733 -6.319 193 3HB ALA 26 3HB ALA 26 0.254 -4.224 -5.389 194 H GLY 27 H GLY 27 0.786 -6.353 -5.878 195 1HA GLY 27 1HA GLY 27 2.187 -8.353 -6.540 196 2HA GLY 27 2HA GLY 27 3.549 -7.260 -6.397 197 H ALA 28 H ALA 28 4.632 -7.985 -4.585 198 HA ALA 28 HA ALA 28 3.043 -8.560 -2.205 199 1HB ALA 28 1HB ALA 28 4.761 -10.186 -3.081 200 2HB ALA 28 2HB ALA 28 6.013 -8.974 -2.719 201 3HB ALA 28 3HB ALA 28 5.039 -9.667 -1.401 202 H PHE 29 H PHE 29 3.707 -7.628 -0.111 203 HA PHE 29 HA PHE 29 5.433 -5.331 -0.209 204 1HB PHE 29 1HB PHE 29 3.499 -3.893 0.716 205 2HB PHE 29 2HB PHE 29 3.330 -4.325 -0.973 206 HD1 PHE 29 HD1 PHE 29 1.597 -5.842 -1.702 207 HD2 PHE 29 HD2 PHE 29 2.075 -4.937 2.416 208 HE1 PHE 29 HE1 PHE 29 -0.656 -6.837 -1.222 209 HE2 PHE 29 HE2 PHE 29 -0.179 -5.932 2.896 210 HZ PHE 29 HZ PHE 29 -1.518 -6.870 1.072 211 H PHE 30 H PHE 30 5.152 -4.148 2.127 212 HA PHE 30 HA PHE 30 5.098 -6.358 4.059 213 1HB PHE 30 1HB PHE 30 6.628 -3.689 3.947 214 2HB PHE 30 2HB PHE 30 6.733 -4.807 5.292 215 HD1 PHE 30 HD1 PHE 30 7.433 -7.275 4.610 216 HD2 PHE 30 HD2 PHE 30 8.239 -3.810 2.298 217 HE1 PHE 30 HE1 PHE 30 9.315 -8.477 3.465 218 HE2 PHE 30 HE2 PHE 30 10.121 -5.011 1.153 219 HZ PHE 30 HZ PHE 30 10.637 -7.331 1.750 220 H SER 31 H SER 31 3.882 -6.141 5.931 221 HA SER 31 HA SER 31 2.069 -3.915 5.912 222 1HB SER 31 1HB SER 31 0.878 -5.182 7.681 223 2HB SER 31 2HB SER 31 1.167 -6.172 6.264 224 HG SER 31 HG SER 31 2.354 -6.319 8.855 225 H VAL 32 H VAL 32 2.025 -2.249 7.451 226 HA VAL 32 HA VAL 32 4.011 -2.447 9.603 227 HB VAL 32 HB VAL 32 3.434 -0.065 7.830 228 1HG1 VAL 32 1HG1 VAL 32 4.001 1.075 9.702 229 2HG1 VAL 32 2HG1 VAL 32 4.773 -0.339 10.460 230 3HG1 VAL 32 3HG1 VAL 32 5.656 0.610 9.240 231 1HG2 VAL 32 1HG2 VAL 32 5.801 -0.319 7.135 232 2HG2 VAL 32 2HG2 VAL 32 5.898 -1.823 8.082 233 3HG2 VAL 32 3HG2 VAL 32 4.799 -1.720 6.685 234 H PHE 33 H PHE 33 3.261 -1.886 11.615 235 HA PHE 33 HA PHE 33 0.454 -1.106 11.712 236 1HB PHE 33 1HB PHE 33 2.387 -1.970 13.938 237 2HB PHE 33 2HB PHE 33 0.637 -1.993 14.020 238 HD1 PHE 33 HD1 PHE 33 -0.312 -3.377 11.761 239 HD2 PHE 33 HD2 PHE 33 3.275 -4.087 13.913 240 HE1 PHE 33 HE1 PHE 33 -0.318 -5.763 10.983 241 HE2 PHE 33 HE2 PHE 33 3.269 -6.473 13.135 242 HZ PHE 33 HZ PHE 33 1.473 -7.283 11.679 243 H ILE 34 H ILE 34 -0.077 0.988 12.093 244 HA ILE 34 HA ILE 34 1.971 2.819 12.906 245 HB ILE 34 HB ILE 34 0.373 4.513 12.471 246 1HG1 ILE 34 1HG1 ILE 34 -1.924 2.776 11.839 247 2HG1 ILE 34 2HG1 ILE 34 -1.505 2.818 13.540 248 1HG2 ILE 34 1HG2 ILE 34 -0.459 3.817 10.170 249 2HG2 ILE 34 2HG2 ILE 34 1.291 3.684 10.466 250 3HG2 ILE 34 3HG2 ILE 34 0.269 2.227 10.501 251 1HD1 ILE 34 1HD1 ILE 34 -1.365 5.433 13.188 252 2HD1 ILE 34 2HD1 ILE 34 -2.343 5.100 11.739 253 3HD1 ILE 34 3HD1 ILE 34 -2.958 4.656 13.349 254 H ASP 35 H ASP 35 -0.291 0.738 14.473 255 HA ASP 35 HA ASP 35 -0.790 2.393 16.693 256 1HB ASP 35 1HB ASP 35 -1.366 0.046 17.738 257 2HB ASP 35 2HB ASP 35 -2.373 0.682 16.453 258 H ASP 36 H ASP 36 1.426 3.094 17.290 259 HA ASP 36 HA ASP 36 2.539 1.776 19.343 260 1HB ASP 36 1HB ASP 36 3.453 0.701 16.730 261 2HB ASP 36 2HB ASP 36 4.772 1.194 17.773 262 H ASP 37 H ASP 37 3.067 3.618 16.311 263 HA ASP 37 HA ASP 37 4.970 5.292 17.746 264 1HB ASP 37 1HB ASP 37 4.782 4.300 14.977 265 2HB ASP 37 2HB ASP 37 4.977 6.041 15.025 266 H ALA 38 H ALA 38 3.560 6.828 18.726 267 HA ALA 38 HA ALA 38 1.176 7.737 17.751 268 1HB ALA 38 1HB ALA 38 3.224 9.360 19.311 269 2HB ALA 38 2HB ALA 38 1.457 9.572 19.311 270 3HB ALA 38 3HB ALA 38 2.178 8.112 20.029 271 H ALA 39 H ALA 39 4.508 8.699 16.882 272 HA ALA 39 HA ALA 39 3.948 11.064 15.566 273 1HB ALA 39 1HB ALA 39 6.205 10.215 16.126 274 2HB ALA 39 2HB ALA 39 6.021 8.931 14.908 275 3HB ALA 39 3HB ALA 39 6.076 10.636 14.402 276 H LEU 40 H LEU 40 3.759 7.638 14.450 277 HA LEU 40 HA LEU 40 3.069 8.390 11.791 278 1HB LEU 40 1HB LEU 40 2.830 5.748 13.237 279 2HB LEU 40 2HB LEU 40 2.628 5.989 11.513 280 HG LEU 40 HG LEU 40 5.200 6.752 12.889 281 1HD1 LEU 40 1HD1 LEU 40 4.208 4.183 13.012 282 2HD1 LEU 40 2HD1 LEU 40 5.239 4.144 11.562 283 3HD1 LEU 40 3HD1 LEU 40 5.921 4.653 13.125 284 1HD2 LEU 40 1HD2 LEU 40 6.174 6.546 10.717 285 2HD2 LEU 40 2HD2 LEU 40 4.686 5.832 10.051 286 3HD2 LEU 40 3HD2 LEU 40 4.703 7.537 10.562 287 H GLU 41 H GLU 41 1.341 7.722 14.830 288 HA GLU 41 HA GLU 41 -1.161 7.357 13.644 289 1HB GLU 41 1HB GLU 41 -0.243 8.111 16.437 290 2HB GLU 41 2HB GLU 41 -1.948 8.019 16.045 291 1HG GLU 41 1HG GLU 41 -0.583 5.661 15.009 292 2HG GLU 41 2HG GLU 41 -0.196 5.863 16.706 293 H SER 42 H SER 42 0.535 10.235 15.031 294 HA SER 42 HA SER 42 -1.653 11.940 14.610 295 1HB SER 42 1HB SER 42 0.799 12.078 15.940 296 2HB SER 42 2HB SER 42 1.012 13.218 14.626 297 HG SER 42 HG SER 42 -1.484 13.455 15.859 298 H ALA 43 H ALA 43 1.046 10.767 12.636 299 HA ALA 43 HA ALA 43 0.830 12.837 10.674 300 1HB ALA 43 1HB ALA 43 2.426 10.372 11.160 301 2HB ALA 43 2HB ALA 43 2.192 10.822 9.454 302 3HB ALA 43 3HB ALA 43 2.941 11.976 10.583 303 H TYR 44 H TYR 44 -0.290 9.424 11.059 304 HA TYR 44 HA TYR 44 -1.856 9.755 8.603 305 1HB TYR 44 1HB TYR 44 -0.997 7.406 10.402 306 2HB TYR 44 2HB TYR 44 -2.065 7.189 9.030 307 HD1 TYR 44 HD1 TYR 44 -0.697 9.109 7.100 308 HD2 TYR 44 HD2 TYR 44 0.864 6.109 9.720 309 HE1 TYR 44 HE1 TYR 44 1.321 8.821 5.580 310 HE2 TYR 44 HE2 TYR 44 2.877 5.832 8.192 311 HH TYR 44 HH TYR 44 3.902 6.528 6.426 312 H GLY 45 H GLY 45 -2.294 7.949 11.726 313 1HA GLY 45 1HA GLY 45 -4.098 7.698 13.042 314 2HA GLY 45 2HA GLY 45 -4.442 9.385 12.713 315 H LEU 46 H LEU 46 -5.841 9.969 10.896 316 HA LEU 46 HA LEU 46 -7.899 8.026 10.517 317 1HB LEU 46 1HB LEU 46 -7.523 10.886 10.207 318 2HB LEU 46 2HB LEU 46 -8.367 10.201 8.833 319 HG LEU 46 HG LEU 46 -9.930 11.015 10.511 320 1HD1 LEU 46 1HD1 LEU 46 -9.946 7.988 10.358 321 2HD1 LEU 46 2HD1 LEU 46 -11.335 9.036 10.731 322 3HD1 LEU 46 3HD1 LEU 46 -10.578 9.100 9.121 323 1HD2 LEU 46 1HD2 LEU 46 -9.445 8.950 12.528 324 2HD2 LEU 46 2HD2 LEU 46 -8.109 10.116 12.374 325 3HD2 LEU 46 3HD2 LEU 46 -9.759 10.692 12.713 326 H ARG 47 H ARG 47 -5.091 9.249 8.717 327 HA ARG 47 HA ARG 47 -6.012 7.938 6.337 328 1HB ARG 47 1HB ARG 47 -3.349 9.346 6.880 329 2HB ARG 47 2HB ARG 47 -3.962 8.884 5.304 330 1HG ARG 47 1HG ARG 47 -5.241 10.757 5.156 331 2HG ARG 47 2HG ARG 47 -5.959 10.472 6.729 332 1HD ARG 47 1HD ARG 47 -4.504 11.899 7.804 333 2HD ARG 47 2HD ARG 47 -3.129 11.389 6.846 334 HE ARG 47 HE ARG 47 -4.910 12.846 5.147 335 1HH1 ARG 47 2HH2 ARG 47 -2.738 13.385 7.862 336 2HH1 ARG 47 1HH2 ARG 47 -2.407 15.031 7.435 337 1HH2 ARG 47 2HH1 ARG 47 -4.473 15.017 4.582 338 2HH2 ARG 47 1HH1 ARG 47 -3.400 15.965 5.557 339 H VAL 48 H VAL 48 -5.582 6.229 8.647 340 HA VAL 48 HA VAL 48 -3.123 5.072 8.880 341 HB VAL 48 HB VAL 48 -5.929 4.318 9.340 342 1HG1 VAL 48 1HG1 VAL 48 -5.414 2.311 8.180 343 2HG1 VAL 48 2HG1 VAL 48 -3.797 2.208 8.916 344 3HG1 VAL 48 3HG1 VAL 48 -5.247 1.932 9.911 345 1HG2 VAL 48 1HG2 VAL 48 -5.216 4.000 11.543 346 2HG2 VAL 48 2HG2 VAL 48 -3.541 3.648 11.057 347 3HG2 VAL 48 3HG2 VAL 48 -4.165 5.312 10.959 348 HA PRO 49 HA PRO 49 -4.186 2.398 5.122 349 1HB PRO 49 1HB PRO 49 -6.310 3.060 3.534 350 2HB PRO 49 2HB PRO 49 -6.402 1.857 4.806 351 1HG PRO 49 1HG PRO 49 -7.463 4.616 4.783 352 2HG PRO 49 2HG PRO 49 -7.897 3.282 5.833 353 1HD PRO 49 1HD PRO 49 -6.229 5.519 6.499 354 2HD PRO 49 2HD PRO 49 -6.569 4.127 7.509 355 H VAL 50 H VAL 50 -2.219 3.839 4.986 356 HA VAL 50 HA VAL 50 -2.532 5.456 2.551 357 HB VAL 50 HB VAL 50 -0.981 5.830 5.078 358 1HG1 VAL 50 1HG1 VAL 50 0.815 5.864 3.500 359 2HG1 VAL 50 2HG1 VAL 50 -0.131 6.834 2.346 360 3HG1 VAL 50 3HG1 VAL 50 0.417 7.558 3.877 361 1HG2 VAL 50 1HG2 VAL 50 -2.117 8.025 3.380 362 2HG2 VAL 50 2HG2 VAL 50 -3.231 6.972 4.285 363 3HG2 VAL 50 3HG2 VAL 50 -1.984 7.902 5.151 364 H LEU 51 H LEU 51 -1.443 4.774 0.772 365 HA LEU 51 HA LEU 51 0.353 2.512 1.140 366 1HB LEU 51 1HB LEU 51 -1.647 3.159 -0.711 367 2HB LEU 51 2HB LEU 51 -0.142 3.314 -1.596 368 HG LEU 51 HG LEU 51 -0.992 0.855 -0.039 369 1HD1 LEU 51 1HD1 LEU 51 -2.368 0.502 -1.763 370 2HD1 LEU 51 2HD1 LEU 51 -1.608 1.770 -2.755 371 3HD1 LEU 51 3HD1 LEU 51 -0.893 0.141 -2.692 372 1HD2 LEU 51 1HD2 LEU 51 1.544 1.677 -1.199 373 2HD2 LEU 51 2HD2 LEU 51 1.161 0.304 -0.134 374 3HD2 LEU 51 3HD2 LEU 51 0.956 0.147 -1.895 375 H ARG 52 H ARG 52 2.497 2.848 1.311 376 HA ARG 52 HA ARG 52 3.494 5.291 0.085 377 1HB ARG 52 1HB ARG 52 5.313 5.231 1.761 378 2HB ARG 52 2HB ARG 52 3.757 5.185 2.567 379 1HG ARG 52 1HG ARG 52 4.375 3.266 3.599 380 2HG ARG 52 2HG ARG 52 4.420 2.464 2.041 381 1HD ARG 52 1HD ARG 52 6.797 4.171 2.695 382 2HD ARG 52 2HD ARG 52 6.608 2.725 3.667 383 HE ARG 52 HE ARG 52 6.255 2.186 0.822 384 1HH1 ARG 52 2HH2 ARG 52 8.655 2.601 3.362 385 2HH1 ARG 52 1HH2 ARG 52 9.866 1.668 2.546 386 1HH2 ARG 52 2HH1 ARG 52 7.852 0.955 -0.254 387 2HH2 ARG 52 1HH1 ARG 52 9.405 0.726 0.476 388 H ASP 53 H ASP 53 5.919 5.089 -0.613 389 HA ASP 53 HA ASP 53 6.301 2.414 -1.711 390 1HB ASP 53 1HB ASP 53 6.422 5.122 -2.931 391 2HB ASP 53 2HB ASP 53 7.803 4.116 -3.321 392 HA PRO 54 HA PRO 54 10.350 2.667 -0.035 393 1HB PRO 54 1HB PRO 54 11.972 1.511 -1.906 394 2HB PRO 54 2HB PRO 54 10.960 0.587 -0.813 395 1HG PRO 54 1HG PRO 54 10.565 1.132 -3.692 396 2HG PRO 54 2HG PRO 54 9.825 -0.106 -2.698 397 1HD PRO 54 1HD PRO 54 8.606 2.331 -3.593 398 2HD PRO 54 2HD PRO 54 7.908 1.148 -2.504 399 H MET 55 H MET 55 10.034 4.039 -3.201 400 HA MET 55 HA MET 55 12.483 5.357 -3.184 401 1HB MET 55 1HB MET 55 11.447 6.703 -5.015 402 2HB MET 55 2HB MET 55 11.039 5.010 -5.206 403 1HG MET 55 1HG MET 55 8.910 5.701 -3.716 404 2HG MET 55 2HG MET 55 9.275 7.301 -4.331 405 1HE MET 55 1HE MET 55 9.263 3.736 -5.109 406 2HE MET 55 2HE MET 55 7.897 3.553 -6.235 407 3HE MET 55 3HE MET 55 9.548 3.761 -6.866 408 H GLY 56 H GLY 56 9.250 6.194 -1.880 409 1HA GLY 56 1HA GLY 56 9.425 7.601 0.155 410 2HA GLY 56 2HA GLY 56 10.413 8.691 -0.797 411 H ARG 57 H ARG 57 7.404 6.867 -1.686 412 HA ARG 57 HA ARG 57 6.154 9.467 -2.065 413 1HB ARG 57 1HB ARG 57 5.918 7.016 -3.884 414 2HB ARG 57 2HB ARG 57 4.968 8.476 -4.070 415 1HG ARG 57 1HG ARG 57 7.788 9.176 -3.863 416 2HG ARG 57 2HG ARG 57 7.581 7.954 -5.102 417 1HD ARG 57 1HD ARG 57 7.050 9.740 -6.444 418 2HD ARG 57 2HD ARG 57 5.466 9.596 -5.709 419 HE ARG 57 HE ARG 57 7.127 11.204 -4.010 420 1HH1 ARG 57 2HH2 ARG 57 5.485 11.342 -7.119 421 2HH1 ARG 57 1HH2 ARG 57 5.299 13.064 -7.089 422 1HH2 ARG 57 2HH1 ARG 57 6.882 13.476 -3.969 423 2HH2 ARG 57 1HH1 ARG 57 6.099 14.286 -5.285 424 H GLU 58 H GLU 58 3.655 9.264 -2.131 425 HA GLU 58 HA GLU 58 2.701 6.894 -0.795 426 1HB GLU 58 1HB GLU 58 2.508 9.694 0.383 427 2HB GLU 58 2HB GLU 58 1.450 8.391 0.883 428 1HG GLU 58 1HG GLU 58 3.824 7.094 1.123 429 2HG GLU 58 2HG GLU 58 4.399 8.733 1.354 430 H LEU 59 H LEU 59 0.235 6.861 -0.727 431 HA LEU 59 HA LEU 59 -0.922 8.650 -2.730 432 1HB LEU 59 1HB LEU 59 -0.189 6.492 -3.770 433 2HB LEU 59 2HB LEU 59 -1.319 5.657 -2.723 434 HG LEU 59 HG LEU 59 -3.156 7.090 -3.745 435 1HD1 LEU 59 1HD1 LEU 59 -1.542 7.537 -6.173 436 2HD1 LEU 59 2HD1 LEU 59 -2.790 8.551 -5.410 437 3HD1 LEU 59 3HD1 LEU 59 -1.123 8.570 -4.785 438 1HD2 LEU 59 1HD2 LEU 59 -3.619 5.310 -4.995 439 2HD2 LEU 59 2HD2 LEU 59 -2.219 5.596 -6.057 440 3HD2 LEU 59 3HD2 LEU 59 -2.017 4.679 -4.544 441 H ASP 60 H ASP 60 -3.107 9.175 -2.371 442 HA ASP 60 HA ASP 60 -3.904 9.257 0.221 443 1HB ASP 60 1HB ASP 60 -4.842 10.220 -2.190 444 2HB ASP 60 2HB ASP 60 -6.096 9.061 -1.798 445 H TRP 61 H TRP 61 -5.928 8.166 1.207 446 HA TRP 61 HA TRP 61 -5.670 5.367 1.050 447 1HB TRP 61 1HB TRP 61 -6.431 5.802 3.094 448 2HB TRP 61 2HB TRP 61 -7.141 7.333 2.620 449 HD1 TRP 61 HD1 TRP 61 -9.639 7.195 3.381 450 HE1 TRP 61 HE1 TRP 61 -11.676 5.530 3.180 451 HE3 TRP 61 HE3 TRP 61 -7.031 3.448 1.142 452 HZ2 TRP 61 HZ2 TRP 61 -11.962 2.891 2.131 453 HZ3 TRP 61 HZ3 TRP 61 -8.265 1.360 0.562 454 HH2 TRP 61 HH2 TRP 61 -10.645 1.049 1.022 455 HA PRO 62 HA PRO 62 -9.703 5.756 -1.416 456 1HB PRO 62 1HB PRO 62 -10.608 8.212 -2.202 457 2HB PRO 62 2HB PRO 62 -11.175 7.399 -0.757 458 1HG PRO 62 1HG PRO 62 -9.315 9.685 -0.988 459 2HG PRO 62 2HG PRO 62 -10.215 9.139 0.414 460 1HD PRO 62 1HD PRO 62 -7.421 8.733 -0.098 461 2HD PRO 62 2HD PRO 62 -8.345 8.089 1.244 462 H PHE 63 H PHE 63 -9.049 4.711 -3.187 463 HA PHE 63 HA PHE 63 -8.245 6.418 -5.371 464 1HB PHE 63 1HB PHE 63 -6.264 4.603 -5.616 465 2HB PHE 63 2HB PHE 63 -6.036 6.017 -4.606 466 HD1 PHE 63 HD1 PHE 63 -8.066 3.010 -3.813 467 HD2 PHE 63 HD2 PHE 63 -4.536 5.219 -2.993 468 HE1 PHE 63 HE1 PHE 63 -7.596 1.528 -1.843 469 HE2 PHE 63 HE2 PHE 63 -4.066 3.736 -1.023 470 HZ PHE 63 HZ PHE 63 -5.601 1.909 -0.471 471 H ASP 64 H ASP 64 -7.529 4.685 -7.288 472 HA ASP 64 HA ASP 64 -9.630 2.664 -7.199 473 1HB ASP 64 1HB ASP 64 -8.617 4.065 -9.708 474 2HB ASP 64 2HB ASP 64 -10.025 3.031 -9.572 475 H ALA 65 H ALA 65 -8.979 1.315 -9.606 476 HA ALA 65 HA ALA 65 -6.569 -0.026 -8.822 477 1HB ALA 65 1HB ALA 65 -8.919 -0.501 -10.499 478 2HB ALA 65 2HB ALA 65 -7.416 -1.026 -11.295 479 3HB ALA 65 3HB ALA 65 -7.845 -1.668 -9.692 480 HA PRO 66 HA PRO 66 -5.181 1.934 -12.900 481 1HB PRO 66 1HB PRO 66 -6.728 3.837 -14.106 482 2HB PRO 66 2HB PRO 66 -6.764 2.144 -14.559 483 1HG PRO 66 1HG PRO 66 -8.744 3.687 -12.997 484 2HG PRO 66 2HG PRO 66 -8.946 2.149 -13.812 485 1HD PRO 66 1HD PRO 66 -8.612 2.567 -10.994 486 2HD PRO 66 2HD PRO 66 -8.698 1.025 -11.821 487 H ARG 67 H ARG 67 -6.703 3.791 -10.473 488 HA ARG 67 HA ARG 67 -5.050 6.050 -10.990 489 1HB ARG 67 1HB ARG 67 -7.470 5.660 -9.678 490 2HB ARG 67 2HB ARG 67 -6.370 5.835 -8.325 491 1HG ARG 67 1HG ARG 67 -6.025 8.062 -8.730 492 2HG ARG 67 2HG ARG 67 -5.878 7.824 -10.460 493 1HD ARG 67 1HD ARG 67 -8.612 7.290 -9.854 494 2HD ARG 67 2HD ARG 67 -8.198 8.715 -8.922 495 HE ARG 67 HE ARG 67 -8.426 8.550 -11.815 496 1HH1 ARG 67 2HH2 ARG 67 -6.758 10.231 -9.213 497 2HH1 ARG 67 1HH2 ARG 67 -6.452 11.652 -10.155 498 1HH2 ARG 67 2HH1 ARG 67 -8.024 10.425 -13.058 499 2HH2 ARG 67 1HH1 ARG 67 -7.177 11.763 -12.357 500 H LEU 68 H LEU 68 -5.086 3.161 -8.905 501 HA LEU 68 HA LEU 68 -2.998 4.137 -7.195 502 1HB LEU 68 1HB LEU 68 -4.842 2.603 -6.496 503 2HB LEU 68 2HB LEU 68 -4.118 1.348 -7.481 504 HG LEU 68 HG LEU 68 -2.028 2.269 -5.846 505 1HD1 LEU 68 1HD1 LEU 68 -3.893 1.517 -3.768 506 2HD1 LEU 68 2HD1 LEU 68 -2.802 2.920 -3.870 507 3HD1 LEU 68 3HD1 LEU 68 -4.426 3.001 -4.594 508 1HD2 LEU 68 1HD2 LEU 68 -1.881 0.047 -6.177 509 2HD2 LEU 68 2HD2 LEU 68 -2.783 -0.038 -4.645 510 3HD2 LEU 68 3HD2 LEU 68 -3.646 -0.181 -6.195 511 H ARG 69 H ARG 69 -3.339 2.030 -10.078 512 HA ARG 69 HA ARG 69 -0.686 1.137 -9.963 513 1HB ARG 69 1HB ARG 69 -2.439 -0.103 -11.192 514 2HB ARG 69 2HB ARG 69 -2.691 1.255 -12.272 515 1HG ARG 69 1HG ARG 69 -1.259 -0.033 -13.582 516 2HG ARG 69 2HG ARG 69 -0.085 0.976 -12.760 517 1HD ARG 69 1HD ARG 69 0.804 -0.793 -11.615 518 2HD ARG 69 2HD ARG 69 -0.774 -1.419 -11.179 519 HE ARG 69 HE ARG 69 -0.423 -1.898 -13.959 520 1HH1 ARG 69 2HH2 ARG 69 0.993 -2.919 -10.905 521 2HH1 ARG 69 1HH2 ARG 69 1.482 -4.470 -11.503 522 1HH2 ARG 69 2HH1 ARG 69 0.221 -3.943 -14.749 523 2HH2 ARG 69 1HH1 ARG 69 1.040 -5.056 -13.705 524 H ALA 70 H ALA 70 -2.433 3.688 -11.863 525 HA ALA 70 HA ALA 70 -0.316 4.514 -13.434 526 1HB ALA 70 1HB ALA 70 -2.645 6.084 -12.258 527 2HB ALA 70 2HB ALA 70 -1.618 6.634 -13.603 528 3HB ALA 70 3HB ALA 70 -2.639 5.189 -13.797 529 H TRP 71 H TRP 71 -1.042 5.066 -10.002 530 HA TRP 71 HA TRP 71 0.699 7.273 -9.682 531 1HB TRP 71 1HB TRP 71 -1.027 6.992 -8.103 532 2HB TRP 71 2HB TRP 71 -0.598 5.322 -7.792 533 HD1 TRP 71 HD1 TRP 71 0.898 8.868 -7.154 534 HE1 TRP 71 HE1 TRP 71 2.377 8.873 -4.969 535 HE3 TRP 71 HE3 TRP 71 0.527 3.876 -6.262 536 HZ2 TRP 71 HZ2 TRP 71 3.208 6.834 -3.154 537 HZ3 TRP 71 HZ3 TRP 71 1.702 2.964 -4.262 538 HH2 TRP 71 HH2 TRP 71 3.008 4.355 -2.734 539 H LEU 72 H LEU 72 0.980 3.692 -9.490 540 HA LEU 72 HA LEU 72 3.559 3.657 -8.385 541 1HB LEU 72 1HB LEU 72 2.045 1.642 -10.049 542 2HB LEU 72 2HB LEU 72 3.584 1.320 -9.274 543 HG LEU 72 HG LEU 72 1.199 2.250 -7.677 544 1HD1 LEU 72 1HD1 LEU 72 0.105 0.363 -8.079 545 2HD1 LEU 72 2HD1 LEU 72 1.430 -0.241 -9.103 546 3HD1 LEU 72 3HD1 LEU 72 1.456 -0.537 -7.348 547 1HD2 LEU 72 1HD2 LEU 72 2.400 1.743 -5.829 548 2HD2 LEU 72 2HD2 LEU 72 3.232 0.372 -6.602 549 3HD2 LEU 72 3HD2 LEU 72 3.769 2.038 -6.927 550 H ASP 73 H ASP 73 2.379 3.405 -11.808 551 HA ASP 73 HA ASP 73 4.917 3.246 -12.893 552 1HB ASP 73 1HB ASP 73 2.178 4.015 -13.897 553 2HB ASP 73 2HB ASP 73 3.548 4.361 -14.932 554 H ALA 74 H ALA 74 2.694 5.990 -12.130 555 HA ALA 74 HA ALA 74 3.808 8.078 -13.395 556 1HB ALA 74 1HB ALA 74 2.471 7.662 -10.759 557 2HB ALA 74 2HB ALA 74 3.298 9.220 -10.997 558 3HB ALA 74 3HB ALA 74 2.014 8.713 -12.121 559 H ALA 75 H ALA 75 5.203 6.189 -10.722 560 HA ALA 75 HA ALA 75 7.140 6.322 -9.646 561 1HB ALA 75 1HB ALA 75 8.703 7.554 -11.783 562 2HB ALA 75 2HB ALA 75 8.768 5.895 -11.141 563 3HB ALA 75 3HB ALA 75 7.596 6.311 -12.415 564 HA PRO 76 HA PRO 76 8.147 10.302 -8.234 565 1HB PRO 76 1HB PRO 76 10.868 10.456 -8.022 566 2HB PRO 76 2HB PRO 76 9.863 9.605 -6.866 567 1HG PRO 76 1HG PRO 76 11.603 8.492 -8.981 568 2HG PRO 76 2HG PRO 76 10.939 7.691 -7.571 569 1HD PRO 76 1HD PRO 76 10.017 7.448 -10.276 570 2HD PRO 76 2HD PRO 76 9.283 6.739 -8.851 571 H HIS 77 H HIS 77 9.845 12.338 -8.482 572 HA HIS 77 HA HIS 77 9.622 12.878 -11.354 573 1HB HIS 77 1HB HIS 77 8.623 14.299 -9.078 574 2HB HIS 77 2HB HIS 77 9.846 15.292 -9.844 575 HD1 HIS 77 HD1 HIS 77 7.954 16.954 -10.622 576 HD2 HIS 77 HD2 HIS 77 7.683 13.092 -12.238 577 HE1 HIS 77 HE1 HIS 77 6.297 17.103 -12.556 578 H ALA 78 H ALA 78 11.488 13.849 -8.385 579 HA ALA 78 HA ALA 78 13.957 13.168 -9.520 580 1HB ALA 78 1HB ALA 78 14.830 15.187 -10.282 581 2HB ALA 78 2HB ALA 78 13.143 15.310 -10.835 582 3HB ALA 78 3HB ALA 78 13.661 16.162 -9.360 Start of MODEL 16 1 1H MET 1 1H MET 1 10.742 -1.068 -4.350 2 HA MET 1 HA MET 1 9.868 -2.855 -6.390 3 1HB MET 1 1HB MET 1 12.364 -3.311 -4.881 4 2HB MET 1 2HB MET 1 11.221 -4.609 -4.599 5 1HG MET 1 1HG MET 1 11.119 -5.198 -6.908 6 2HG MET 1 2HG MET 1 11.742 -3.646 -7.431 7 1HE MET 1 1HE MET 1 14.504 -3.414 -8.015 8 2HE MET 1 2HE MET 1 14.888 -5.063 -8.565 9 3HE MET 1 3HE MET 1 13.287 -4.362 -8.903 10 H ALA 2 H ALA 2 10.611 -2.619 -2.835 11 HA ALA 2 HA ALA 2 8.064 -3.916 -2.280 12 1HB ALA 2 1HB ALA 2 9.966 -4.781 -1.078 13 2HB ALA 2 2HB ALA 2 10.465 -3.146 -0.579 14 3HB ALA 2 3HB ALA 2 8.976 -3.863 0.082 15 H LEU 3 H LEU 3 6.311 -2.875 -1.349 16 HA LEU 3 HA LEU 3 6.593 0.034 -1.160 17 1HB LEU 3 1HB LEU 3 4.322 -1.807 -1.824 18 2HB LEU 3 2HB LEU 3 3.997 -0.202 -1.199 19 HG LEU 3 HG LEU 3 5.922 -0.184 -3.410 20 1HD1 LEU 3 1HD1 LEU 3 4.931 -1.752 -4.670 21 2HD1 LEU 3 2HD1 LEU 3 3.449 -1.759 -3.685 22 3HD1 LEU 3 3HD1 LEU 3 3.682 -0.512 -4.934 23 1HD2 LEU 3 1HD2 LEU 3 3.276 1.221 -2.948 24 2HD2 LEU 3 2HD2 LEU 3 4.889 1.835 -2.514 25 3HD2 LEU 3 3HD2 LEU 3 4.456 1.604 -4.225 26 H THR 4 H THR 4 4.562 0.770 0.479 27 HA THR 4 HA THR 4 4.679 -0.845 2.889 28 HB THR 4 HB THR 4 5.801 2.001 2.695 29 HG1 THR 4 HG1 THR 4 7.683 0.825 2.643 30 1HG2 THR 4 1HG2 THR 4 5.365 2.126 4.939 31 2HG2 THR 4 2HG2 THR 4 4.739 0.459 4.959 32 3HG2 THR 4 3HG2 THR 4 6.484 0.757 5.150 33 H LEU 5 H LEU 5 2.544 -1.151 3.160 34 HA LEU 5 HA LEU 5 0.881 1.267 3.016 35 1HB LEU 5 1HB LEU 5 0.061 -0.025 1.317 36 2HB LEU 5 2HB LEU 5 0.446 -1.538 2.113 37 HG LEU 5 HG LEU 5 -1.439 -0.785 3.803 38 1HD1 LEU 5 1HD1 LEU 5 -3.240 0.299 2.114 39 2HD1 LEU 5 2HD1 LEU 5 -2.231 1.249 3.231 40 3HD1 LEU 5 3HD1 LEU 5 -1.755 1.082 1.524 41 1HD2 LEU 5 1HD2 LEU 5 -2.699 -2.404 2.874 42 2HD2 LEU 5 2HD2 LEU 5 -2.638 -1.678 1.250 43 3HD2 LEU 5 3HD2 LEU 5 -1.266 -2.643 1.846 44 H TYR 6 H TYR 6 0.603 2.026 5.051 45 HA TYR 6 HA TYR 6 0.874 0.412 7.335 46 1HB TYR 6 1HB TYR 6 -0.404 3.124 6.646 47 2HB TYR 6 2HB TYR 6 -0.308 2.562 8.303 48 HD1 TYR 6 HD1 TYR 6 1.451 4.171 5.597 49 HD2 TYR 6 HD2 TYR 6 1.990 2.132 9.320 50 HE1 TYR 6 HE1 TYR 6 3.791 5.145 5.800 51 HE2 TYR 6 HE2 TYR 6 4.329 3.113 9.509 52 HH TYR 6 HH TYR 6 6.069 3.950 7.824 53 H GLN 7 H GLN 7 -0.591 -0.687 8.606 54 HA GLN 7 HA GLN 7 -3.388 -0.273 8.101 55 1HB GLN 7 1HB GLN 7 -3.851 -2.672 7.692 56 2HB GLN 7 2HB GLN 7 -2.828 -1.999 6.438 57 1HG GLN 7 1HG GLN 7 -0.866 -3.066 7.290 58 2HG GLN 7 2HG GLN 7 -1.594 -3.360 8.857 59 1HE2 GLN 7 1HE2 GLN 7 -1.682 -5.466 9.100 60 2HE2 GLN 7 2HE2 GLN 7 -2.358 -6.615 7.993 61 H ARG 8 H ARG 8 -4.745 -1.600 9.732 62 HA ARG 8 HA ARG 8 -3.232 -2.472 12.001 63 1HB ARG 8 1HB ARG 8 -3.587 0.057 12.266 64 2HB ARG 8 2HB ARG 8 -5.311 -0.252 12.326 65 1HG ARG 8 1HG ARG 8 -4.546 -2.031 14.213 66 2HG ARG 8 2HG ARG 8 -3.184 -0.936 14.346 67 1HD ARG 8 1HD ARG 8 -4.574 0.918 14.951 68 2HD ARG 8 2HD ARG 8 -6.027 0.142 14.355 69 HE ARG 8 HE ARG 8 -4.856 -1.463 16.445 70 1HH1 ARG 8 2HH2 ARG 8 -6.667 1.512 15.944 71 2HH1 ARG 8 1HH2 ARG 8 -7.395 1.484 17.515 72 1HH2 ARG 8 2HH1 ARG 8 -5.817 -1.501 18.518 73 2HH2 ARG 8 1HH1 ARG 8 -6.909 -0.242 18.989 74 H ASP 9 H ASP 9 -4.197 -4.428 12.445 75 HA ASP 9 HA ASP 9 -5.689 -5.986 12.668 76 1HB ASP 9 1HB ASP 9 -6.528 -4.187 14.358 77 2HB ASP 9 2HB ASP 9 -7.781 -3.834 13.185 78 H ASP 10 H ASP 10 -8.063 -6.746 11.869 79 HA ASP 10 HA ASP 10 -8.087 -6.312 9.100 80 1HB ASP 10 1HB ASP 10 -8.936 -8.324 10.669 81 2HB ASP 10 2HB ASP 10 -10.460 -7.466 10.570 82 H CYS 11 H CYS 11 -8.569 -4.076 8.658 83 HA CYS 11 HA CYS 11 -11.151 -3.147 9.679 84 1HB CYS 11 1HB CYS 11 -8.822 -1.893 10.073 85 2HB CYS 11 2HB CYS 11 -9.178 -1.238 8.488 86 HG CYS 11 HG CYS 11 -11.008 0.207 9.030 87 H HIS 12 H HIS 12 -12.368 -1.715 8.048 88 HA HIS 12 HA HIS 12 -12.437 -3.109 5.557 89 1HB HIS 12 1HB HIS 12 -14.417 -2.244 6.938 90 2HB HIS 12 2HB HIS 12 -14.025 -0.653 6.316 91 HD1 HIS 12 HD1 HIS 12 -16.325 -3.200 5.660 92 HD2 HIS 12 HD2 HIS 12 -13.725 -1.022 3.192 93 HE1 HIS 12 HE1 HIS 12 -17.264 -3.383 3.294 94 H LEU 13 H LEU 13 -11.849 0.325 6.592 95 HA LEU 13 HA LEU 13 -11.320 1.425 4.173 96 1HB LEU 13 1HB LEU 13 -11.332 2.364 6.609 97 2HB LEU 13 2HB LEU 13 -9.604 2.079 6.541 98 HG LEU 13 HG LEU 13 -9.593 3.486 4.405 99 1HD1 LEU 13 1HD1 LEU 13 -12.279 4.424 5.438 100 2HD1 LEU 13 2HD1 LEU 13 -11.407 4.990 3.993 101 3HD1 LEU 13 3HD1 LEU 13 -12.064 3.336 4.046 102 1HD2 LEU 13 1HD2 LEU 13 -8.584 4.496 6.220 103 2HD2 LEU 13 2HD2 LEU 13 -9.872 5.657 5.820 104 3HD2 LEU 13 3HD2 LEU 13 -10.083 4.526 7.178 105 H CYS 14 H CYS 14 -9.253 -0.756 6.112 106 HA CYS 14 HA CYS 14 -6.986 -0.362 4.443 107 1HB CYS 14 1HB CYS 14 -7.607 -2.490 6.517 108 2HB CYS 14 2HB CYS 14 -6.068 -2.328 5.695 109 HG CYS 14 HG CYS 14 -6.699 0.552 6.434 110 H ASP 15 H ASP 15 -9.577 -2.863 4.863 111 HA ASP 15 HA ASP 15 -8.700 -4.718 3.120 112 1HB ASP 15 1HB ASP 15 -11.105 -4.113 4.468 113 2HB ASP 15 2HB ASP 15 -11.580 -4.196 2.783 114 H GLN 16 H GLN 16 -10.787 -1.808 2.456 115 HA GLN 16 HA GLN 16 -11.074 -2.253 -0.248 116 1HB GLN 16 1HB GLN 16 -11.442 0.023 1.631 117 2HB GLN 16 2HB GLN 16 -11.196 0.494 -0.039 118 1HG GLN 16 1HG GLN 16 -12.989 -1.628 -0.285 119 2HG GLN 16 2HG GLN 16 -13.509 -0.878 1.211 120 1HE2 GLN 16 1HE2 GLN 16 -14.381 1.143 1.229 121 2HE2 GLN 16 2HE2 GLN 16 -14.831 2.026 -0.191 122 H ALA 17 H ALA 17 -8.428 -0.818 1.650 123 HA ALA 17 HA ALA 17 -7.134 0.403 -0.560 124 1HB ALA 17 1HB ALA 17 -5.284 -0.222 1.521 125 2HB ALA 17 2HB ALA 17 -6.068 1.339 1.180 126 3HB ALA 17 3HB ALA 17 -6.834 0.184 2.296 127 H VAL 18 H VAL 18 -6.649 -2.686 1.284 128 HA VAL 18 HA VAL 18 -4.506 -3.576 -0.265 129 HB VAL 18 HB VAL 18 -6.585 -4.999 1.400 130 1HG1 VAL 18 1HG1 VAL 18 -4.012 -6.156 0.273 131 2HG1 VAL 18 2HG1 VAL 18 -5.168 -6.978 1.347 132 3HG1 VAL 18 3HG1 VAL 18 -5.651 -6.535 -0.308 133 1HG2 VAL 18 1HG2 VAL 18 -5.298 -3.675 2.834 134 2HG2 VAL 18 2HG2 VAL 18 -4.483 -5.257 2.895 135 3HG2 VAL 18 3HG2 VAL 18 -3.804 -3.944 1.904 136 H GLU 19 H GLU 19 -8.052 -3.729 -0.700 137 HA GLU 19 HA GLU 19 -8.076 -5.660 -2.669 138 1HB GLU 19 1HB GLU 19 -9.948 -4.031 -1.369 139 2HB GLU 19 2HB GLU 19 -10.082 -3.534 -3.044 140 1HG GLU 19 1HG GLU 19 -9.882 -6.455 -2.827 141 2HG GLU 19 2HG GLU 19 -11.214 -5.844 -1.865 142 H ALA 20 H ALA 20 -7.883 -2.045 -2.912 143 HA ALA 20 HA ALA 20 -7.832 -1.936 -5.695 144 1HB ALA 20 1HB ALA 20 -6.871 0.330 -5.302 145 2HB ALA 20 2HB ALA 20 -8.280 -0.002 -4.265 146 3HB ALA 20 3HB ALA 20 -6.636 -0.091 -3.588 147 H LEU 21 H LEU 21 -5.274 -2.485 -3.239 148 HA LEU 21 HA LEU 21 -3.102 -2.174 -4.976 149 1HB LEU 21 1HB LEU 21 -3.620 -3.167 -2.270 150 2HB LEU 21 2HB LEU 21 -2.289 -3.982 -3.066 151 HG LEU 21 HG LEU 21 -2.385 -0.982 -3.092 152 1HD1 LEU 21 1HD1 LEU 21 -2.166 -2.655 -0.693 153 2HD1 LEU 21 2HD1 LEU 21 -0.805 -1.529 -0.912 154 3HD1 LEU 21 3HD1 LEU 21 -2.473 -0.909 -0.859 155 1HD2 LEU 21 1HD2 LEU 21 -0.617 -2.888 -4.074 156 2HD2 LEU 21 2HD2 LEU 21 -0.309 -1.147 -3.874 157 3HD2 LEU 21 3HD2 LEU 21 0.167 -2.287 -2.594 158 H ALA 22 H ALA 22 -4.775 -5.186 -3.811 159 HA ALA 22 HA ALA 22 -3.359 -6.947 -5.394 160 1HB ALA 22 1HB ALA 22 -6.248 -7.510 -4.960 161 2HB ALA 22 2HB ALA 22 -4.816 -8.477 -4.534 162 3HB ALA 22 3HB ALA 22 -5.310 -7.116 -3.499 163 H GLN 23 H GLN 23 -6.401 -5.111 -6.091 164 HA GLN 23 HA GLN 23 -6.914 -6.239 -8.529 165 1HB GLN 23 1HB GLN 23 -7.555 -3.606 -7.223 166 2HB GLN 23 2HB GLN 23 -7.888 -3.761 -8.936 167 1HG GLN 23 1HG GLN 23 -8.851 -6.172 -7.799 168 2HG GLN 23 2HG GLN 23 -9.321 -4.927 -6.659 169 1HE2 GLN 23 1HE2 GLN 23 -11.486 -5.204 -7.172 170 2HE2 GLN 23 2HE2 GLN 23 -12.198 -4.593 -8.628 171 H ALA 24 H ALA 24 -4.913 -3.325 -7.718 172 HA ALA 24 HA ALA 24 -4.223 -2.791 -10.402 173 1HB ALA 24 1HB ALA 24 -2.957 -1.064 -9.495 174 2HB ALA 24 2HB ALA 24 -4.142 -1.338 -8.195 175 3HB ALA 24 3HB ALA 24 -2.500 -2.011 -8.059 176 H ARG 25 H ARG 25 -3.416 -5.357 -8.308 177 HA ARG 25 HA ARG 25 -1.955 -6.946 -8.369 178 1HB ARG 25 1HB ARG 25 -1.964 -6.002 -11.215 179 2HB ARG 25 2HB ARG 25 -0.613 -7.025 -10.767 180 1HG ARG 25 1HG ARG 25 -3.094 -8.119 -9.681 181 2HG ARG 25 2HG ARG 25 -3.266 -7.845 -11.403 182 1HD ARG 25 1HD ARG 25 -0.679 -8.974 -11.116 183 2HD ARG 25 2HD ARG 25 -1.684 -9.883 -10.005 184 HE ARG 25 HE ARG 25 -3.012 -9.545 -12.562 185 1HH1 ARG 25 2HH2 ARG 25 -0.528 -11.420 -10.921 186 2HH1 ARG 25 1HH2 ARG 25 -0.688 -12.789 -11.971 187 1HH2 ARG 25 2HH1 ARG 25 -3.224 -11.350 -13.947 188 2HH2 ARG 25 1HH1 ARG 25 -2.231 -12.749 -13.703 189 H ALA 26 H ALA 26 -1.083 -4.499 -7.200 190 HA ALA 26 HA ALA 26 1.263 -3.418 -8.068 191 1HB ALA 26 1HB ALA 26 0.602 -4.077 -5.174 192 2HB ALA 26 2HB ALA 26 1.576 -2.719 -5.787 193 3HB ALA 26 3HB ALA 26 -0.178 -2.762 -6.086 194 H GLY 27 H GLY 27 0.980 -6.154 -5.681 195 1HA GLY 27 1HA GLY 27 2.387 -8.123 -6.470 196 2HA GLY 27 2HA GLY 27 3.705 -6.968 -6.471 197 H ALA 28 H ALA 28 4.985 -7.608 -4.758 198 HA ALA 28 HA ALA 28 3.638 -8.148 -2.218 199 1HB ALA 28 1HB ALA 28 5.061 -9.913 -2.438 200 2HB ALA 28 2HB ALA 28 6.121 -9.048 -3.577 201 3HB ALA 28 3HB ALA 28 6.271 -8.760 -1.827 202 H PHE 29 H PHE 29 4.579 -7.191 -0.227 203 HA PHE 29 HA PHE 29 6.385 -5.021 -0.464 204 1HB PHE 29 1HB PHE 29 4.613 -3.315 0.272 205 2HB PHE 29 2HB PHE 29 4.389 -3.892 -1.368 206 HD1 PHE 29 HD1 PHE 29 2.384 -4.937 -2.008 207 HD2 PHE 29 HD2 PHE 29 3.209 -4.370 2.116 208 HE1 PHE 29 HE1 PHE 29 0.039 -5.631 -1.444 209 HE2 PHE 29 HE2 PHE 29 0.864 -5.065 2.680 210 HZ PHE 29 HZ PHE 29 -0.693 -5.687 0.894 211 H PHE 30 H PHE 30 6.092 -3.623 1.785 212 HA PHE 30 HA PHE 30 6.055 -5.707 3.834 213 1HB PHE 30 1HB PHE 30 7.153 -2.832 3.753 214 2HB PHE 30 2HB PHE 30 7.412 -3.954 5.074 215 HD1 PHE 30 HD1 PHE 30 9.112 -2.476 2.604 216 HD2 PHE 30 HD2 PHE 30 8.210 -6.417 3.892 217 HE1 PHE 30 HE1 PHE 30 11.193 -3.319 1.481 218 HE2 PHE 30 HE2 PHE 30 10.290 -7.260 2.768 219 HZ PHE 30 HZ PHE 30 11.757 -5.701 1.576 220 H SER 31 H SER 31 4.662 -5.632 5.579 221 HA SER 31 HA SER 31 2.692 -3.511 5.443 222 1HB SER 31 1HB SER 31 2.729 -6.320 6.537 223 2HB SER 31 2HB SER 31 1.609 -5.173 7.245 224 HG SER 31 HG SER 31 1.759 -6.053 4.500 225 H VAL 32 H VAL 32 2.523 -1.953 7.048 226 HA VAL 32 HA VAL 32 4.201 -2.376 9.425 227 HB VAL 32 HB VAL 32 3.602 0.178 7.918 228 1HG1 VAL 32 1HG1 VAL 32 3.740 0.536 10.355 229 2HG1 VAL 32 2HG1 VAL 32 5.333 -0.257 10.376 230 3HG1 VAL 32 3HG1 VAL 32 5.113 1.275 9.496 231 1HG2 VAL 32 1HG2 VAL 32 5.222 -0.843 6.621 232 2HG2 VAL 32 2HG2 VAL 32 6.225 0.072 7.772 233 3HG2 VAL 32 3HG2 VAL 32 5.967 -1.673 8.009 234 H PHE 33 H PHE 33 3.260 -2.021 11.425 235 HA PHE 33 HA PHE 33 0.384 -1.526 11.326 236 1HB PHE 33 1HB PHE 33 2.212 -2.492 13.601 237 2HB PHE 33 2HB PHE 33 0.466 -2.625 13.560 238 HD1 PHE 33 HD1 PHE 33 3.574 -4.178 12.678 239 HD2 PHE 33 HD2 PHE 33 -0.587 -4.166 11.844 240 HE1 PHE 33 HE1 PHE 33 3.772 -6.461 11.654 241 HE2 PHE 33 HE2 PHE 33 -0.389 -6.449 10.820 242 HZ PHE 33 HZ PHE 33 1.788 -7.569 10.737 243 H ILE 34 H ILE 34 -0.444 0.395 12.000 244 HA ILE 34 HA ILE 34 1.350 2.353 13.075 245 HB ILE 34 HB ILE 34 -0.461 3.871 12.828 246 1HG1 ILE 34 1HG1 ILE 34 -2.476 1.909 11.913 247 2HG1 ILE 34 2HG1 ILE 34 -2.110 1.844 13.626 248 1HG2 ILE 34 1HG2 ILE 34 0.600 2.360 10.742 249 2HG2 ILE 34 2HG2 ILE 34 -1.147 2.418 10.408 250 3HG2 ILE 34 3HG2 ILE 34 -0.231 3.929 10.617 251 1HD1 ILE 34 1HD1 ILE 34 -3.956 3.523 12.698 252 2HD1 ILE 34 2HD1 ILE 34 -2.879 4.015 14.027 253 3HD1 ILE 34 3HD1 ILE 34 -2.542 4.551 12.363 254 H ASP 35 H ASP 35 -0.547 -0.202 14.351 255 HA ASP 35 HA ASP 35 -1.561 0.916 16.633 256 1HB ASP 35 1HB ASP 35 -1.853 -1.297 17.384 257 2HB ASP 35 2HB ASP 35 -1.773 -1.494 15.644 258 H ASP 36 H ASP 36 -0.677 1.162 18.798 259 HA ASP 36 HA ASP 36 0.839 1.200 20.388 260 1HB ASP 36 1HB ASP 36 1.960 -0.764 18.796 261 2HB ASP 36 2HB ASP 36 3.219 0.455 18.748 262 H ASP 37 H ASP 37 2.306 1.910 17.125 263 HA ASP 37 HA ASP 37 3.869 4.019 18.063 264 1HB ASP 37 1HB ASP 37 2.897 3.107 15.340 265 2HB ASP 37 2HB ASP 37 3.752 4.631 15.479 266 H ALA 38 H ALA 38 2.348 5.381 19.302 267 HA ALA 38 HA ALA 38 -0.063 6.333 18.351 268 1HB ALA 38 1HB ALA 38 1.927 7.065 20.441 269 2HB ALA 38 2HB ALA 38 0.795 8.352 19.959 270 3HB ALA 38 3HB ALA 38 0.172 6.802 20.573 271 H ALA 39 H ALA 39 3.298 7.533 17.876 272 HA ALA 39 HA ALA 39 2.729 9.970 16.739 273 1HB ALA 39 1HB ALA 39 4.945 7.939 16.406 274 2HB ALA 39 2HB ALA 39 4.947 9.451 15.466 275 3HB ALA 39 3HB ALA 39 4.977 9.509 17.245 276 H LEU 40 H LEU 40 2.922 6.698 15.199 277 HA LEU 40 HA LEU 40 2.335 7.705 12.616 278 1HB LEU 40 1HB LEU 40 2.091 4.892 13.687 279 2HB LEU 40 2HB LEU 40 2.136 5.367 12.001 280 HG LEU 40 HG LEU 40 4.413 5.836 13.943 281 1HD1 LEU 40 1HD1 LEU 40 4.279 3.652 11.859 282 2HD1 LEU 40 2HD1 LEU 40 5.485 3.886 13.147 283 3HD1 LEU 40 3HD1 LEU 40 3.823 3.401 13.561 284 1HD2 LEU 40 1HD2 LEU 40 4.694 5.750 10.960 285 2HD2 LEU 40 2HD2 LEU 40 4.076 7.224 11.744 286 3HD2 LEU 40 3HD2 LEU 40 5.681 6.591 12.179 287 H GLU 41 H GLU 41 0.438 6.656 15.427 288 HA GLU 41 HA GLU 41 -1.944 6.252 14.024 289 1HB GLU 41 1HB GLU 41 -1.359 6.888 16.944 290 2HB GLU 41 2HB GLU 41 -2.975 6.552 16.356 291 1HG GLU 41 1HG GLU 41 -1.352 4.477 15.288 292 2HG GLU 41 2HG GLU 41 -0.801 4.684 16.938 293 H SER 42 H SER 42 -0.610 9.075 15.869 294 HA SER 42 HA SER 42 -2.858 10.671 15.291 295 1HB SER 42 1HB SER 42 -0.617 10.808 16.995 296 2HB SER 42 2HB SER 42 -0.400 12.158 15.899 297 HG SER 42 HG SER 42 -2.571 11.634 17.708 298 H ALA 43 H ALA 43 0.214 9.913 13.698 299 HA ALA 43 HA ALA 43 0.249 12.190 12.002 300 1HB ALA 43 1HB ALA 43 2.332 11.176 12.312 301 2HB ALA 43 2HB ALA 43 1.670 9.531 12.153 302 3HB ALA 43 3HB ALA 43 1.854 10.559 10.712 303 H TYR 44 H TYR 44 -0.940 8.789 11.736 304 HA TYR 44 HA TYR 44 -2.184 9.543 9.183 305 1HB TYR 44 1HB TYR 44 -1.487 6.880 10.572 306 2HB TYR 44 2HB TYR 44 -2.297 6.966 9.020 307 HD1 TYR 44 HD1 TYR 44 0.704 6.171 10.351 308 HD2 TYR 44 HD2 TYR 44 -0.889 8.861 7.430 309 HE1 TYR 44 HE1 TYR 44 2.956 6.238 9.174 310 HE2 TYR 44 HE2 TYR 44 1.369 8.918 6.263 311 HH TYR 44 HH TYR 44 3.409 7.086 6.200 312 H GLY 45 H GLY 45 -2.855 7.213 11.895 313 1HA GLY 45 1HA GLY 45 -4.763 6.705 12.966 314 2HA GLY 45 2HA GLY 45 -5.204 8.392 12.794 315 H LEU 46 H LEU 46 -6.373 9.103 10.837 316 HA LEU 46 HA LEU 46 -8.224 7.080 10.000 317 1HB LEU 46 1HB LEU 46 -8.187 9.896 10.282 318 2HB LEU 46 2HB LEU 46 -8.494 9.563 8.589 319 HG LEU 46 HG LEU 46 -10.563 9.823 9.877 320 1HD1 LEU 46 1HD1 LEU 46 -11.441 7.355 9.324 321 2HD1 LEU 46 2HD1 LEU 46 -11.102 8.570 8.067 322 3HD1 LEU 46 3HD1 LEU 46 -9.899 7.310 8.434 323 1HD2 LEU 46 1HD2 LEU 46 -10.608 9.084 11.975 324 2HD2 LEU 46 2HD2 LEU 46 -10.863 7.456 11.303 325 3HD2 LEU 46 3HD2 LEU 46 -9.218 8.004 11.707 326 H ARG 47 H ARG 47 -5.294 8.633 8.780 327 HA ARG 47 HA ARG 47 -5.826 7.668 6.131 328 1HB ARG 47 1HB ARG 47 -3.437 9.153 7.334 329 2HB ARG 47 2HB ARG 47 -3.554 8.717 5.640 330 1HG ARG 47 1HG ARG 47 -4.788 10.572 5.232 331 2HG ARG 47 2HG ARG 47 -6.022 10.011 6.342 332 1HD ARG 47 1HD ARG 47 -5.412 11.536 7.918 333 2HD ARG 47 2HD ARG 47 -3.733 11.039 7.841 334 HE ARG 47 HE ARG 47 -3.287 12.829 6.397 335 1HH1 ARG 47 2HH2 ARG 47 -6.761 12.288 6.531 336 2HH1 ARG 47 1HH2 ARG 47 -7.147 13.716 5.630 337 1HH2 ARG 47 2HH1 ARG 47 -3.795 14.713 5.208 338 2HH2 ARG 47 1HH1 ARG 47 -5.449 15.104 4.872 339 H VAL 48 H VAL 48 -5.643 5.651 8.218 340 HA VAL 48 HA VAL 48 -3.135 4.537 8.530 341 HB VAL 48 HB VAL 48 -5.953 3.691 8.757 342 1HG1 VAL 48 1HG1 VAL 48 -3.732 1.631 8.541 343 2HG1 VAL 48 2HG1 VAL 48 -5.395 1.313 9.090 344 3HG1 VAL 48 3HG1 VAL 48 -5.095 1.835 7.415 345 1HG2 VAL 48 1HG2 VAL 48 -4.066 4.542 10.502 346 2HG2 VAL 48 2HG2 VAL 48 -5.452 3.525 10.963 347 3HG2 VAL 48 3HG2 VAL 48 -3.864 2.781 10.659 348 HA PRO 49 HA PRO 49 -4.005 2.234 4.485 349 1HB PRO 49 1HB PRO 49 -6.031 3.074 2.854 350 2HB PRO 49 2HB PRO 49 -6.203 1.755 3.995 351 1HG PRO 49 1HG PRO 49 -7.242 4.515 4.184 352 2HG PRO 49 2HG PRO 49 -7.743 3.090 5.073 353 1HD PRO 49 1HD PRO 49 -6.101 5.231 6.047 354 2HD PRO 49 2HD PRO 49 -6.506 3.752 6.894 355 H VAL 50 H VAL 50 -2.052 3.748 4.670 356 HA VAL 50 HA VAL 50 -2.205 5.563 2.364 357 HB VAL 50 HB VAL 50 -0.783 5.673 4.996 358 1HG1 VAL 50 1HG1 VAL 50 1.074 5.916 3.520 359 2HG1 VAL 50 2HG1 VAL 50 0.153 6.970 2.421 360 3HG1 VAL 50 3HG1 VAL 50 0.615 7.556 4.037 361 1HG2 VAL 50 1HG2 VAL 50 -3.019 6.854 4.306 362 2HG2 VAL 50 2HG2 VAL 50 -1.791 7.747 5.233 363 3HG2 VAL 50 3HG2 VAL 50 -1.937 7.998 3.477 364 H LEU 51 H LEU 51 -0.791 5.268 0.667 365 HA LEU 51 HA LEU 51 0.987 2.951 0.941 366 1HB LEU 51 1HB LEU 51 -0.955 3.718 -1.022 367 2HB LEU 51 2HB LEU 51 0.628 3.679 -1.773 368 HG LEU 51 HG LEU 51 -0.538 1.388 -0.170 369 1HD1 LEU 51 1HD1 LEU 51 -1.476 0.476 -2.024 370 2HD1 LEU 51 2HD1 LEU 51 -1.628 2.192 -2.474 371 3HD1 LEU 51 3HD1 LEU 51 -0.293 1.215 -3.130 372 1HD2 LEU 51 1HD2 LEU 51 2.095 1.902 -0.951 373 2HD2 LEU 51 2HD2 LEU 51 1.418 0.356 -0.386 374 3HD2 LEU 51 3HD2 LEU 51 1.489 0.713 -2.128 375 H ARG 52 H ARG 52 3.137 3.321 0.999 376 HA ARG 52 HA ARG 52 4.034 5.788 -0.248 377 1HB ARG 52 1HB ARG 52 5.578 6.205 1.606 378 2HB ARG 52 2HB ARG 52 3.967 6.012 2.269 379 1HG ARG 52 1HG ARG 52 4.525 3.552 2.690 380 2HG ARG 52 2HG ARG 52 6.173 3.902 2.209 381 1HD ARG 52 1HD ARG 52 5.091 5.791 4.237 382 2HD ARG 52 2HD ARG 52 5.190 4.133 4.796 383 HE ARG 52 HE ARG 52 7.552 4.211 4.627 384 1HH1 ARG 52 2HH2 ARG 52 6.112 7.109 3.244 385 2HH1 ARG 52 1HH2 ARG 52 7.615 7.964 3.147 386 1HH2 ARG 52 2HH1 ARG 52 9.535 5.339 4.500 387 2HH2 ARG 52 1HH1 ARG 52 9.575 6.951 3.866 388 H ASP 53 H ASP 53 6.112 5.651 -1.287 389 HA ASP 53 HA ASP 53 7.280 2.983 -1.231 390 1HB ASP 53 1HB ASP 53 6.038 4.319 -3.443 391 2HB ASP 53 2HB ASP 53 7.761 4.338 -3.761 392 HA PRO 54 HA PRO 54 11.082 5.165 -0.978 393 1HB PRO 54 1HB PRO 54 12.827 3.810 -2.586 394 2HB PRO 54 2HB PRO 54 12.365 3.253 -0.991 395 1HG PRO 54 1HG PRO 54 11.502 2.238 -3.630 396 2HG PRO 54 2HG PRO 54 11.401 1.454 -2.066 397 1HD PRO 54 1HD PRO 54 9.253 2.698 -3.504 398 2HD PRO 54 2HD PRO 54 9.179 2.017 -1.891 399 H MET 55 H MET 55 10.598 4.428 -4.399 400 HA MET 55 HA MET 55 11.418 7.190 -4.876 401 1HB MET 55 1HB MET 55 12.195 6.371 -7.118 402 2HB MET 55 2HB MET 55 13.004 5.513 -5.822 403 1HG MET 55 1HG MET 55 12.274 3.559 -6.719 404 2HG MET 55 2HG MET 55 10.632 4.024 -6.320 405 1HE MET 55 1HE MET 55 13.406 5.277 -8.567 406 2HE MET 55 2HE MET 55 13.252 3.698 -9.376 407 3HE MET 55 3HE MET 55 12.758 5.184 -10.223 408 H GLY 56 H GLY 56 8.969 4.708 -5.247 409 1HA GLY 56 1HA GLY 56 7.564 5.877 -7.438 410 2HA GLY 56 2HA GLY 56 6.987 4.648 -6.330 411 H ARG 57 H ARG 57 7.988 6.785 -4.124 412 HA ARG 57 HA ARG 57 7.155 8.445 -2.997 413 1HB ARG 57 1HB ARG 57 5.079 8.953 -5.180 414 2HB ARG 57 2HB ARG 57 5.630 10.090 -3.965 415 1HG ARG 57 1HG ARG 57 8.031 9.494 -5.103 416 2HG ARG 57 2HG ARG 57 6.994 9.186 -6.482 417 1HD ARG 57 1HD ARG 57 6.845 11.417 -6.869 418 2HD ARG 57 2HD ARG 57 6.076 11.638 -5.310 419 HE ARG 57 HE ARG 57 8.863 11.361 -4.830 420 1HH1 ARG 57 2HH2 ARG 57 6.671 13.609 -6.418 421 2HH1 ARG 57 1HH2 ARG 57 7.689 14.986 -6.155 422 1HH2 ARG 57 2HH1 ARG 57 10.206 13.177 -4.482 423 2HH2 ARG 57 1HH1 ARG 57 9.713 14.739 -5.047 424 H GLU 58 H GLU 58 4.485 9.322 -2.512 425 HA GLU 58 HA GLU 58 3.247 6.785 -1.776 426 1HB GLU 58 1HB GLU 58 2.172 8.185 0.094 427 2HB GLU 58 2HB GLU 58 3.888 7.862 0.246 428 1HG GLU 58 1HG GLU 58 2.978 10.378 -1.174 429 2HG GLU 58 2HG GLU 58 2.955 10.329 0.578 430 H LEU 59 H LEU 59 0.852 6.724 -1.770 431 HA LEU 59 HA LEU 59 -0.287 8.763 -3.552 432 1HB LEU 59 1HB LEU 59 0.155 6.641 -4.722 433 2HB LEU 59 2HB LEU 59 -0.848 5.793 -3.562 434 HG LEU 59 HG LEU 59 -2.806 7.127 -4.295 435 1HD1 LEU 59 1HD1 LEU 59 -1.963 8.099 -6.802 436 2HD1 LEU 59 2HD1 LEU 59 -2.510 9.033 -5.388 437 3HD1 LEU 59 3HD1 LEU 59 -0.778 8.689 -5.612 438 1HD2 LEU 59 1HD2 LEU 59 -1.336 5.562 -6.430 439 2HD2 LEU 59 2HD2 LEU 59 -2.510 4.945 -5.243 440 3HD2 LEU 59 3HD2 LEU 59 -3.045 6.049 -6.534 441 H ASP 60 H ASP 60 -2.469 9.377 -3.131 442 HA ASP 60 HA ASP 60 -3.109 9.622 -0.518 443 1HB ASP 60 1HB ASP 60 -4.214 10.377 -2.971 444 2HB ASP 60 2HB ASP 60 -5.473 9.365 -2.292 445 H TRP 61 H TRP 61 -5.096 8.652 0.658 446 HA TRP 61 HA TRP 61 -4.906 5.838 0.663 447 1HB TRP 61 1HB TRP 61 -5.544 6.348 2.720 448 2HB TRP 61 2HB TRP 61 -6.134 7.927 2.243 449 HD1 TRP 61 HD1 TRP 61 -8.600 8.090 3.079 450 HE1 TRP 61 HE1 TRP 61 -10.788 6.614 3.095 451 HE3 TRP 61 HE3 TRP 61 -6.465 3.966 1.008 452 HZ2 TRP 61 HZ2 TRP 61 -11.367 3.947 2.258 453 HZ3 TRP 61 HZ3 TRP 61 -7.911 1.969 0.641 454 HH2 TRP 61 HH2 TRP 61 -10.282 1.916 1.230 455 HA PRO 62 HA PRO 62 -9.097 6.213 -1.533 456 1HB PRO 62 1HB PRO 62 -9.959 8.642 -2.439 457 2HB PRO 62 2HB PRO 62 -10.454 7.962 -0.901 458 1HG PRO 62 1HG PRO 62 -8.529 10.142 -1.430 459 2HG PRO 62 2HG PRO 62 -9.347 9.739 0.066 460 1HD PRO 62 1HD PRO 62 -6.615 9.176 -0.601 461 2HD PRO 62 2HD PRO 62 -7.466 8.672 0.846 462 H PHE 63 H PHE 63 -8.789 5.074 -3.329 463 HA PHE 63 HA PHE 63 -8.049 6.552 -5.665 464 1HB PHE 63 1HB PHE 63 -6.118 4.667 -5.906 465 2HB PHE 63 2HB PHE 63 -5.787 6.178 -5.081 466 HD1 PHE 63 HD1 PHE 63 -7.742 3.278 -3.818 467 HD2 PHE 63 HD2 PHE 63 -4.182 5.565 -3.499 468 HE1 PHE 63 HE1 PHE 63 -7.112 2.008 -1.747 469 HE2 PHE 63 HE2 PHE 63 -3.552 4.295 -1.427 470 HZ PHE 63 HZ PHE 63 -5.025 2.532 -0.576 471 H ASP 64 H ASP 64 -7.683 4.816 -7.563 472 HA ASP 64 HA ASP 64 -9.761 2.819 -7.125 473 1HB ASP 64 1HB ASP 64 -8.834 3.915 -9.812 474 2HB ASP 64 2HB ASP 64 -10.289 2.995 -9.488 475 H ALA 65 H ALA 65 -9.347 1.144 -9.312 476 HA ALA 65 HA ALA 65 -6.919 -0.177 -8.579 477 1HB ALA 65 1HB ALA 65 -9.399 -0.736 -10.062 478 2HB ALA 65 2HB ALA 65 -7.957 -1.471 -10.804 479 3HB ALA 65 3HB ALA 65 -8.367 -1.830 -9.109 480 HA PRO 66 HA PRO 66 -5.813 1.236 -12.962 481 1HB PRO 66 1HB PRO 66 -7.372 3.085 -14.235 482 2HB PRO 66 2HB PRO 66 -7.529 1.359 -14.492 483 1HG PRO 66 1HG PRO 66 -9.283 3.169 -12.948 484 2HG PRO 66 2HG PRO 66 -9.631 1.568 -13.567 485 1HD PRO 66 1HD PRO 66 -9.023 2.263 -10.852 486 2HD PRO 66 2HD PRO 66 -9.258 0.649 -11.493 487 H ARG 67 H ARG 67 -7.047 3.449 -10.661 488 HA ARG 67 HA ARG 67 -5.334 5.533 -11.555 489 1HB ARG 67 1HB ARG 67 -7.643 5.446 -10.036 490 2HB ARG 67 2HB ARG 67 -6.439 5.650 -8.780 491 1HG ARG 67 1HG ARG 67 -5.893 7.787 -9.451 492 2HG ARG 67 2HG ARG 67 -6.055 7.411 -11.155 493 1HD ARG 67 1HD ARG 67 -8.682 7.187 -10.038 494 2HD ARG 67 2HD ARG 67 -7.993 8.655 -9.374 495 HE ARG 67 HE ARG 67 -8.817 8.249 -12.108 496 1HH1 ARG 67 2HH2 ARG 67 -6.353 9.861 -10.183 497 2HH1 ARG 67 1HH2 ARG 67 -6.062 11.099 -11.359 498 1HH2 ARG 67 2HH1 ARG 67 -8.433 9.881 -13.661 499 2HH2 ARG 67 1HH1 ARG 67 -7.253 11.110 -13.351 500 H LEU 68 H LEU 68 -5.323 2.906 -9.143 501 HA LEU 68 HA LEU 68 -3.035 3.940 -7.754 502 1HB LEU 68 1HB LEU 68 -4.901 2.603 -6.735 503 2HB LEU 68 2HB LEU 68 -4.293 1.201 -7.594 504 HG LEU 68 HG LEU 68 -2.055 2.223 -6.249 505 1HD1 LEU 68 1HD1 LEU 68 -2.599 2.989 -4.208 506 2HD1 LEU 68 2HD1 LEU 68 -4.148 3.404 -4.979 507 3HD1 LEU 68 3HD1 LEU 68 -3.993 1.894 -4.049 508 1HD2 LEU 68 1HD2 LEU 68 -2.347 0.163 -4.839 509 2HD2 LEU 68 2HD2 LEU 68 -3.904 -0.098 -5.660 510 3HD2 LEU 68 3HD2 LEU 68 -2.391 -0.108 -6.598 511 H ARG 69 H ARG 69 -3.754 1.594 -10.359 512 HA ARG 69 HA ARG 69 -1.175 0.503 -10.357 513 1HB ARG 69 1HB ARG 69 -3.349 -0.482 -11.367 514 2HB ARG 69 2HB ARG 69 -3.102 0.599 -12.724 515 1HG ARG 69 1HG ARG 69 -0.715 -1.019 -11.933 516 2HG ARG 69 2HG ARG 69 -2.062 -1.939 -12.575 517 1HD ARG 69 1HD ARG 69 -1.956 0.171 -14.369 518 2HD ARG 69 2HD ARG 69 -0.262 -0.007 -13.957 519 HE ARG 69 HE ARG 69 -1.060 -2.616 -14.410 520 1HH1 ARG 69 2HH2 ARG 69 -1.300 0.354 -16.281 521 2HH1 ARG 69 1HH2 ARG 69 -1.246 -0.454 -17.812 522 1HH2 ARG 69 2HH1 ARG 69 -0.988 -3.684 -16.429 523 2HH2 ARG 69 1HH1 ARG 69 -1.067 -2.767 -17.897 524 H ALA 70 H ALA 70 -2.869 3.017 -12.348 525 HA ALA 70 HA ALA 70 -0.812 3.522 -14.132 526 1HB ALA 70 1HB ALA 70 -2.002 5.896 -14.063 527 2HB ALA 70 2HB ALA 70 -2.845 4.472 -14.718 528 3HB ALA 70 3HB ALA 70 -3.187 5.024 -13.061 529 H TRP 71 H TRP 71 -1.336 4.557 -10.756 530 HA TRP 71 HA TRP 71 0.639 6.586 -10.793 531 1HB TRP 71 1HB TRP 71 -1.142 6.620 -9.178 532 2HB TRP 71 2HB TRP 71 -0.677 5.052 -8.548 533 HD1 TRP 71 HD1 TRP 71 0.699 8.691 -8.657 534 HE1 TRP 71 HE1 TRP 71 2.305 9.144 -6.613 535 HE3 TRP 71 HE3 TRP 71 0.663 3.920 -6.897 536 HZ2 TRP 71 HZ2 TRP 71 3.357 7.494 -4.536 537 HZ3 TRP 71 HZ3 TRP 71 2.006 3.426 -4.856 538 HH2 TRP 71 HH2 TRP 71 3.322 5.120 -3.684 539 H LEU 72 H LEU 72 0.530 3.066 -10.027 540 HA LEU 72 HA LEU 72 3.094 2.865 -8.963 541 1HB LEU 72 1HB LEU 72 1.297 0.901 -10.375 542 2HB LEU 72 2HB LEU 72 2.853 0.447 -9.708 543 HG LEU 72 HG LEU 72 0.777 1.784 -7.981 544 1HD1 LEU 72 1HD1 LEU 72 0.523 -0.885 -7.387 545 2HD1 LEU 72 2HD1 LEU 72 -0.616 0.078 -8.358 546 3HD1 LEU 72 3HD1 LEU 72 0.637 -0.897 -9.163 547 1HD2 LEU 72 1HD2 LEU 72 3.048 -0.127 -7.366 548 2HD2 LEU 72 2HD2 LEU 72 3.050 1.633 -7.102 549 3HD2 LEU 72 3HD2 LEU 72 1.934 0.596 -6.180 550 H ASP 73 H ASP 73 1.885 2.534 -12.359 551 HA ASP 73 HA ASP 73 4.410 1.950 -13.387 552 1HB ASP 73 1HB ASP 73 1.749 2.835 -14.484 553 2HB ASP 73 2HB ASP 73 3.139 3.011 -15.537 554 H ALA 74 H ALA 74 2.529 4.947 -12.767 555 HA ALA 74 HA ALA 74 3.814 6.794 -14.276 556 1HB ALA 74 1HB ALA 74 1.864 7.106 -12.698 557 2HB ALA 74 2HB ALA 74 3.035 7.160 -11.358 558 3HB ALA 74 3HB ALA 74 3.081 8.402 -12.632 559 H ALA 75 H ALA 75 5.085 4.904 -11.586 560 HA ALA 75 HA ALA 75 7.073 6.405 -10.571 561 1HB ALA 75 1HB ALA 75 8.275 4.280 -10.225 562 2HB ALA 75 2HB ALA 75 6.531 4.079 -9.928 563 3HB ALA 75 3HB ALA 75 7.248 3.493 -11.448 564 HA PRO 76 HA PRO 76 9.798 7.332 -13.800 565 1HB PRO 76 1HB PRO 76 12.106 7.829 -12.424 566 2HB PRO 76 2HB PRO 76 10.807 8.996 -12.568 567 1HG PRO 76 1HG PRO 76 11.558 7.338 -10.239 568 2HG PRO 76 2HG PRO 76 10.568 8.783 -10.284 569 1HD PRO 76 1HD PRO 76 9.646 6.079 -10.029 570 2HD PRO 76 2HD PRO 76 8.653 7.514 -10.191 571 H HIS 77 H HIS 77 12.094 6.863 -14.732 572 HA HIS 77 HA HIS 77 12.197 3.966 -14.708 573 1HB HIS 77 1HB HIS 77 13.033 6.132 -16.575 574 2HB HIS 77 2HB HIS 77 13.992 4.666 -16.586 575 HD1 HIS 77 HD1 HIS 77 12.124 5.604 -18.972 576 HD2 HIS 77 HD2 HIS 77 11.135 2.742 -16.070 577 HE1 HIS 77 HE1 HIS 77 10.316 4.132 -20.008 578 H ALA 78 H ALA 78 14.604 6.698 -14.654 579 HA ALA 78 HA ALA 78 16.784 5.280 -13.879 580 1HB ALA 78 1HB ALA 78 16.308 7.850 -14.392 581 2HB ALA 78 2HB ALA 78 16.278 7.958 -12.616 582 3HB ALA 78 3HB ALA 78 17.729 7.346 -13.446 Start of MODEL 17 1 1H MET 1 1H MET 1 14.409 -2.996 0.960 2 HA MET 1 HA MET 1 12.281 -4.474 0.974 3 1HB MET 1 1HB MET 1 11.168 -2.732 2.357 4 2HB MET 1 2HB MET 1 12.886 -2.747 2.702 5 1HG MET 1 1HG MET 1 13.252 -0.804 1.227 6 2HG MET 1 2HG MET 1 11.581 -0.839 0.702 7 1HE MET 1 1HE MET 1 12.190 2.202 2.194 8 2HE MET 1 2HE MET 1 13.243 1.751 3.556 9 3HE MET 1 3HE MET 1 13.592 1.141 1.921 10 H ALA 2 H ALA 2 9.844 -3.928 0.654 11 HA ALA 2 HA ALA 2 9.563 -2.811 -2.046 12 1HB ALA 2 1HB ALA 2 8.449 -4.712 -2.479 13 2HB ALA 2 2HB ALA 2 8.697 -5.253 -0.801 14 3HB ALA 2 3HB ALA 2 7.259 -4.293 -1.224 15 H LEU 3 H LEU 3 6.694 -2.555 -1.912 16 HA LEU 3 HA LEU 3 6.505 0.022 -0.887 17 1HB LEU 3 1HB LEU 3 4.444 -2.018 -1.707 18 2HB LEU 3 2HB LEU 3 4.013 -0.404 -1.181 19 HG LEU 3 HG LEU 3 6.043 -0.603 -3.352 20 1HD1 LEU 3 1HD1 LEU 3 3.138 -0.923 -4.075 21 2HD1 LEU 3 2HD1 LEU 3 4.588 -1.175 -5.076 22 3HD1 LEU 3 3HD1 LEU 3 4.182 -2.337 -3.789 23 1HD2 LEU 3 1HD2 LEU 3 3.633 1.167 -3.394 24 2HD2 LEU 3 2HD2 LEU 3 4.924 1.499 -2.215 25 3HD2 LEU 3 3HD2 LEU 3 5.294 1.474 -3.956 26 H THR 4 H THR 4 4.450 0.481 0.711 27 HA THR 4 HA THR 4 4.414 -1.360 2.934 28 HB THR 4 HB THR 4 5.566 1.459 3.261 29 HG1 THR 4 HG1 THR 4 6.769 -1.207 3.453 30 1HG2 THR 4 1HG2 THR 4 4.642 -0.627 5.123 31 2HG2 THR 4 2HG2 THR 4 6.374 -0.277 5.339 32 3HG2 THR 4 3HG2 THR 4 5.177 1.033 5.478 33 H LEU 5 H LEU 5 2.258 -1.578 3.076 34 HA LEU 5 HA LEU 5 0.677 0.881 2.909 35 1HB LEU 5 1HB LEU 5 -0.152 -0.569 1.332 36 2HB LEU 5 2HB LEU 5 0.158 -1.995 2.303 37 HG LEU 5 HG LEU 5 -1.707 -0.988 3.867 38 1HD1 LEU 5 1HD1 LEU 5 -3.018 0.014 1.430 39 2HD1 LEU 5 2HD1 LEU 5 -3.045 0.638 3.097 40 3HD1 LEU 5 3HD1 LEU 5 -1.679 1.026 2.023 41 1HD2 LEU 5 1HD2 LEU 5 -2.695 -2.846 3.175 42 2HD2 LEU 5 2HD2 LEU 5 -3.221 -2.020 1.688 43 3HD2 LEU 5 3HD2 LEU 5 -1.659 -2.873 1.728 44 H TYR 6 H TYR 6 0.493 1.825 4.882 45 HA TYR 6 HA TYR 6 0.734 0.422 7.294 46 1HB TYR 6 1HB TYR 6 -0.573 3.076 6.432 47 2HB TYR 6 2HB TYR 6 -0.305 2.663 8.114 48 HD1 TYR 6 HD1 TYR 6 2.032 2.466 8.996 49 HD2 TYR 6 HD2 TYR 6 1.213 3.886 5.044 50 HE1 TYR 6 HE1 TYR 6 4.368 3.460 8.862 51 HE2 TYR 6 HE2 TYR 6 3.552 4.875 4.923 52 HH TYR 6 HH TYR 6 5.308 5.636 7.249 53 H GLN 7 H GLN 7 -0.763 -0.415 8.750 54 HA GLN 7 HA GLN 7 -3.507 0.070 8.469 55 1HB GLN 7 1HB GLN 7 -4.142 -2.346 7.926 56 2HB GLN 7 2HB GLN 7 -3.516 -1.404 6.587 57 1HG GLN 7 1HG GLN 7 -1.445 -2.530 6.574 58 2HG GLN 7 2HG GLN 7 -1.570 -3.004 8.257 59 1HE2 GLN 7 1HE2 GLN 7 -3.231 -4.569 8.842 60 2HE2 GLN 7 2HE2 GLN 7 -3.648 -5.836 7.736 61 H ARG 8 H ARG 8 -4.762 -1.018 10.198 62 HA ARG 8 HA ARG 8 -3.065 -2.377 12.113 63 1HB ARG 8 1HB ARG 8 -4.068 -1.037 13.973 64 2HB ARG 8 2HB ARG 8 -3.173 -0.022 12.858 65 1HG ARG 8 1HG ARG 8 -5.475 0.319 11.644 66 2HG ARG 8 2HG ARG 8 -6.187 -0.325 13.110 67 1HD ARG 8 1HD ARG 8 -4.914 1.448 14.429 68 2HD ARG 8 2HD ARG 8 -4.390 2.138 12.905 69 HE ARG 8 HE ARG 8 -6.517 3.066 12.628 70 1HH1 ARG 8 2HH2 ARG 8 -6.711 0.456 14.980 71 2HH1 ARG 8 1HH2 ARG 8 -8.363 0.775 15.389 72 1HH2 ARG 8 2HH1 ARG 8 -8.697 3.488 13.167 73 2HH2 ARG 8 1HH1 ARG 8 -9.501 2.512 14.350 74 H ASP 9 H ASP 9 -4.032 -4.351 12.463 75 HA ASP 9 HA ASP 9 -5.575 -5.774 13.094 76 1HB ASP 9 1HB ASP 9 -6.787 -3.478 13.945 77 2HB ASP 9 2HB ASP 9 -7.931 -3.955 12.706 78 H ASP 10 H ASP 10 -8.310 -6.059 12.069 79 HA ASP 10 HA ASP 10 -7.805 -5.971 9.200 80 1HB ASP 10 1HB ASP 10 -9.637 -8.105 9.904 81 2HB ASP 10 2HB ASP 10 -8.115 -8.213 9.044 82 H CYS 11 H CYS 11 -9.330 -4.550 8.341 83 HA CYS 11 HA CYS 11 -12.048 -4.755 9.391 84 1HB CYS 11 1HB CYS 11 -12.332 -2.357 9.396 85 2HB CYS 11 2HB CYS 11 -10.969 -2.771 10.417 86 HG CYS 11 HG CYS 11 -10.035 -0.763 9.314 87 H HIS 12 H HIS 12 -12.564 -2.345 7.468 88 HA HIS 12 HA HIS 12 -12.506 -3.965 5.029 89 1HB HIS 12 1HB HIS 12 -14.613 -2.528 6.372 90 2HB HIS 12 2HB HIS 12 -14.367 -1.839 4.779 91 HD1 HIS 12 HD1 HIS 12 -14.173 -5.522 5.839 92 HD2 HIS 12 HD2 HIS 12 -16.340 -3.000 3.282 93 HE1 HIS 12 HE1 HIS 12 -15.731 -7.033 4.497 94 H LEU 13 H LEU 13 -12.167 -0.627 6.381 95 HA LEU 13 HA LEU 13 -11.540 0.752 4.142 96 1HB LEU 13 1HB LEU 13 -11.680 1.399 6.666 97 2HB LEU 13 2HB LEU 13 -9.946 1.143 6.650 98 HG LEU 13 HG LEU 13 -9.829 2.798 4.722 99 1HD1 LEU 13 1HD1 LEU 13 -12.330 2.581 4.249 100 2HD1 LEU 13 2HD1 LEU 13 -12.570 3.674 5.633 101 3HD1 LEU 13 3HD1 LEU 13 -11.631 4.217 4.221 102 1HD2 LEU 13 1HD2 LEU 13 -9.343 4.439 6.190 103 2HD2 LEU 13 2HD2 LEU 13 -10.911 4.316 7.023 104 3HD2 LEU 13 3HD2 LEU 13 -9.614 3.153 7.390 105 H CYS 14 H CYS 14 -9.477 -1.555 5.956 106 HA CYS 14 HA CYS 14 -7.179 -0.958 4.391 107 1HB CYS 14 1HB CYS 14 -6.749 -1.751 6.578 108 2HB CYS 14 2HB CYS 14 -7.847 -3.107 6.408 109 HG CYS 14 HG CYS 14 -4.798 -2.627 5.464 110 H ASP 15 H ASP 15 -9.739 -3.515 4.512 111 HA ASP 15 HA ASP 15 -8.758 -5.239 2.692 112 1HB ASP 15 1HB ASP 15 -11.616 -4.282 3.152 113 2HB ASP 15 2HB ASP 15 -11.247 -5.627 2.091 114 H GLN 16 H GLN 16 -10.877 -2.330 2.114 115 HA GLN 16 HA GLN 16 -11.028 -2.574 -0.613 116 1HB GLN 16 1HB GLN 16 -11.407 -0.380 1.382 117 2HB GLN 16 2HB GLN 16 -11.182 0.134 -0.278 118 1HG GLN 16 1HG GLN 16 -12.970 -1.929 -0.638 119 2HG GLN 16 2HG GLN 16 -13.450 -1.369 0.952 120 1HE2 GLN 16 1HE2 GLN 16 -15.076 -0.036 0.857 121 2HE2 GLN 16 2HE2 GLN 16 -15.346 1.220 -0.305 122 H ALA 17 H ALA 17 -8.439 -1.325 1.476 123 HA ALA 17 HA ALA 17 -7.054 0.046 -0.590 124 1HB ALA 17 1HB ALA 17 -5.882 -1.061 1.980 125 2HB ALA 17 2HB ALA 17 -5.387 0.386 1.069 126 3HB ALA 17 3HB ALA 17 -6.928 0.379 1.959 127 H VAL 18 H VAL 18 -6.662 -3.173 1.043 128 HA VAL 18 HA VAL 18 -4.482 -3.966 -0.522 129 HB VAL 18 HB VAL 18 -6.584 -5.579 0.938 130 1HG1 VAL 18 1HG1 VAL 18 -3.785 -6.491 0.244 131 2HG1 VAL 18 2HG1 VAL 18 -5.162 -7.459 0.823 132 3HG1 VAL 18 3HG1 VAL 18 -5.175 -6.792 -0.827 133 1HG2 VAL 18 1HG2 VAL 18 -5.455 -4.025 2.426 134 2HG2 VAL 18 2HG2 VAL 18 -4.884 -5.681 2.745 135 3HG2 VAL 18 3HG2 VAL 18 -3.866 -4.551 1.820 136 H GLU 19 H GLU 19 -8.029 -4.125 -0.984 137 HA GLU 19 HA GLU 19 -8.020 -5.927 -3.071 138 1HB GLU 19 1HB GLU 19 -9.920 -4.432 -1.677 139 2HB GLU 19 2HB GLU 19 -10.044 -3.788 -3.302 140 1HG GLU 19 1HG GLU 19 -9.836 -6.746 -3.230 141 2HG GLU 19 2HG GLU 19 -11.249 -6.133 -2.395 142 H ALA 20 H ALA 20 -7.887 -2.299 -3.093 143 HA ALA 20 HA ALA 20 -7.835 -1.998 -5.852 144 1HB ALA 20 1HB ALA 20 -6.689 -0.335 -3.578 145 2HB ALA 20 2HB ALA 20 -6.763 0.219 -5.268 146 3HB ALA 20 3HB ALA 20 -8.265 -0.136 -4.381 147 H LEU 21 H LEU 21 -5.234 -2.666 -3.460 148 HA LEU 21 HA LEU 21 -3.097 -2.280 -5.224 149 1HB LEU 21 1HB LEU 21 -3.559 -3.400 -2.553 150 2HB LEU 21 2HB LEU 21 -2.230 -4.153 -3.412 151 HG LEU 21 HG LEU 21 -2.457 -1.154 -3.113 152 1HD1 LEU 21 1HD1 LEU 21 -1.828 -3.136 -1.071 153 2HD1 LEU 21 2HD1 LEU 21 -0.498 -1.983 -1.333 154 3HD1 LEU 21 3HD1 LEU 21 -2.124 -1.387 -0.923 155 1HD2 LEU 21 1HD2 LEU 21 -0.885 -2.511 -4.793 156 2HD2 LEU 21 2HD2 LEU 21 -0.369 -1.008 -3.990 157 3HD2 LEU 21 3HD2 LEU 21 0.142 -2.585 -3.341 158 H ALA 22 H ALA 22 -4.696 -5.359 -4.127 159 HA ALA 22 HA ALA 22 -3.318 -7.026 -5.843 160 1HB ALA 22 1HB ALA 22 -5.115 -7.352 -3.858 161 2HB ALA 22 2HB ALA 22 -6.189 -7.613 -5.253 162 3HB ALA 22 3HB ALA 22 -4.746 -8.632 -5.038 163 H GLN 23 H GLN 23 -6.352 -5.131 -6.335 164 HA GLN 23 HA GLN 23 -6.996 -6.198 -8.785 165 1HB GLN 23 1HB GLN 23 -7.562 -3.577 -7.397 166 2HB GLN 23 2HB GLN 23 -8.042 -3.762 -9.072 167 1HG GLN 23 1HG GLN 23 -8.861 -6.169 -7.807 168 2HG GLN 23 2HG GLN 23 -9.262 -4.901 -6.667 169 1HE2 GLN 23 1HE2 GLN 23 -10.795 -3.389 -7.136 170 2HE2 GLN 23 2HE2 GLN 23 -11.861 -3.471 -8.498 171 H ALA 24 H ALA 24 -4.771 -3.517 -7.883 172 HA ALA 24 HA ALA 24 -4.252 -2.843 -10.621 173 1HB ALA 24 1HB ALA 24 -2.252 -1.840 -8.833 174 2HB ALA 24 2HB ALA 24 -3.593 -0.956 -9.600 175 3HB ALA 24 3HB ALA 24 -3.828 -1.726 -8.012 176 H ARG 25 H ARG 25 -3.356 -5.392 -8.539 177 HA ARG 25 HA ARG 25 -1.864 -6.951 -8.626 178 1HB ARG 25 1HB ARG 25 -1.955 -6.017 -11.474 179 2HB ARG 25 2HB ARG 25 -0.571 -7.006 -11.054 180 1HG ARG 25 1HG ARG 25 -2.934 -8.204 -9.883 181 2HG ARG 25 2HG ARG 25 -3.269 -7.859 -11.568 182 1HD ARG 25 1HD ARG 25 -0.799 -8.920 -11.886 183 2HD ARG 25 2HD ARG 25 -1.213 -9.714 -10.380 184 HE ARG 25 HE ARG 25 -3.475 -10.103 -11.925 185 1HH1 ARG 25 2HH2 ARG 25 -0.050 -10.731 -12.430 186 2HH1 ARG 25 1HH2 ARG 25 -0.321 -12.084 -13.477 187 1HH2 ARG 25 2HH1 ARG 25 -3.834 -11.889 -13.306 188 2HH2 ARG 25 1HH1 ARG 25 -2.488 -12.747 -13.978 189 H ALA 26 H ALA 26 -1.014 -4.493 -7.475 190 HA ALA 26 HA ALA 26 1.326 -3.413 -8.427 191 1HB ALA 26 1HB ALA 26 1.708 -2.802 -6.024 192 2HB ALA 26 2HB ALA 26 0.057 -2.450 -6.589 193 3HB ALA 26 3HB ALA 26 0.366 -3.881 -5.576 194 H GLY 27 H GLY 27 0.756 -6.410 -6.521 195 1HA GLY 27 1HA GLY 27 2.304 -8.228 -7.098 196 2HA GLY 27 2HA GLY 27 3.613 -7.077 -6.919 197 H ALA 28 H ALA 28 4.734 -7.868 -5.149 198 HA ALA 28 HA ALA 28 3.181 -8.568 -2.779 199 1HB ALA 28 1HB ALA 28 5.662 -9.443 -4.027 200 2HB ALA 28 2HB ALA 28 5.930 -8.989 -2.327 201 3HB ALA 28 3HB ALA 28 4.710 -10.218 -2.738 202 H PHE 29 H PHE 29 3.842 -7.697 -0.657 203 HA PHE 29 HA PHE 29 5.525 -5.377 -0.660 204 1HB PHE 29 1HB PHE 29 3.569 -3.970 0.258 205 2HB PHE 29 2HB PHE 29 3.428 -4.366 -1.443 206 HD1 PHE 29 HD1 PHE 29 2.309 -5.468 1.925 207 HD2 PHE 29 HD2 PHE 29 1.527 -5.463 -2.246 208 HE1 PHE 29 HE1 PHE 29 0.053 -6.483 2.347 209 HE2 PHE 29 HE2 PHE 29 -0.729 -6.478 -1.824 210 HZ PHE 29 HZ PHE 29 -1.440 -6.976 0.467 211 H PHE 30 H PHE 30 5.066 -4.240 1.720 212 HA PHE 30 HA PHE 30 5.027 -6.513 3.581 213 1HB PHE 30 1HB PHE 30 6.602 -3.882 3.428 214 2HB PHE 30 2HB PHE 30 6.544 -4.817 4.909 215 HD1 PHE 30 HD1 PHE 30 8.297 -6.253 5.299 216 HD2 PHE 30 HD2 PHE 30 7.251 -5.380 1.280 217 HE1 PHE 30 HE1 PHE 30 10.224 -7.646 4.495 218 HE2 PHE 30 HE2 PHE 30 9.178 -6.774 0.476 219 HZ PHE 30 HZ PHE 30 10.641 -7.890 2.093 220 H SER 31 H SER 31 3.981 -6.230 5.610 221 HA SER 31 HA SER 31 2.074 -4.054 5.544 222 1HB SER 31 1HB SER 31 2.050 -6.827 6.457 223 2HB SER 31 2HB SER 31 1.532 -5.762 7.749 224 HG SER 31 HG SER 31 0.030 -6.622 5.767 225 H VAL 32 H VAL 32 1.862 -2.547 7.281 226 HA VAL 32 HA VAL 32 3.802 -2.803 9.449 227 HB VAL 32 HB VAL 32 3.466 -0.378 7.672 228 1HG1 VAL 32 1HG1 VAL 32 5.604 -0.469 9.732 229 2HG1 VAL 32 2HG1 VAL 32 4.615 0.895 9.159 230 3HG1 VAL 32 3HG1 VAL 32 3.941 -0.262 10.332 231 1HG2 VAL 32 1HG2 VAL 32 5.757 -2.330 8.047 232 2HG2 VAL 32 2HG2 VAL 32 4.835 -2.002 6.561 233 3HG2 VAL 32 3HG2 VAL 32 5.917 -0.757 7.230 234 H PHE 33 H PHE 33 3.042 -2.039 11.424 235 HA PHE 33 HA PHE 33 0.255 -1.144 11.352 236 1HB PHE 33 1HB PHE 33 1.947 -2.214 13.681 237 2HB PHE 33 2HB PHE 33 0.199 -2.110 13.630 238 HD1 PHE 33 HD1 PHE 33 3.121 -3.912 12.277 239 HD2 PHE 33 HD2 PHE 33 -1.107 -3.838 12.641 240 HE1 PHE 33 HE1 PHE 33 3.006 -6.270 11.426 241 HE2 PHE 33 HE2 PHE 33 -1.221 -6.196 11.789 242 HZ PHE 33 HZ PHE 33 0.836 -7.384 11.191 243 H ILE 34 H ILE 34 -0.285 0.881 12.052 244 HA ILE 34 HA ILE 34 1.875 2.595 12.888 245 HB ILE 34 HB ILE 34 0.355 4.377 12.557 246 1HG1 ILE 34 1HG1 ILE 34 -2.035 2.816 11.854 247 2HG1 ILE 34 2HG1 ILE 34 -1.593 2.692 13.545 248 1HG2 ILE 34 1HG2 ILE 34 0.106 2.206 10.471 249 2HG2 ILE 34 2HG2 ILE 34 -0.528 3.852 10.235 250 3HG2 ILE 34 3HG2 ILE 34 1.213 3.599 10.501 251 1HD1 ILE 34 1HD1 ILE 34 -1.329 5.454 12.602 252 2HD1 ILE 34 2HD1 ILE 34 -2.971 4.823 12.327 253 3HD1 ILE 34 3HD1 ILE 34 -2.277 4.813 13.966 254 H ASP 35 H ASP 35 0.063 0.316 14.453 255 HA ASP 35 HA ASP 35 -0.613 1.901 16.732 256 1HB ASP 35 1HB ASP 35 -2.005 -0.038 16.052 257 2HB ASP 35 2HB ASP 35 -0.635 -1.114 16.242 258 H ASP 36 H ASP 36 2.086 2.274 16.301 259 HA ASP 36 HA ASP 36 3.199 1.199 18.648 260 1HB ASP 36 1HB ASP 36 3.486 -0.504 16.515 261 2HB ASP 36 2HB ASP 36 4.904 0.500 16.286 262 H ASP 37 H ASP 37 2.599 3.787 17.330 263 HA ASP 37 HA ASP 37 4.938 5.121 17.877 264 1HB ASP 37 1HB ASP 37 5.058 3.949 15.328 265 2HB ASP 37 2HB ASP 37 4.543 5.589 14.984 266 H ALA 38 H ALA 38 3.488 6.591 18.911 267 HA ALA 38 HA ALA 38 1.060 7.437 17.997 268 1HB ALA 38 1HB ALA 38 1.151 8.862 19.787 269 2HB ALA 38 2HB ALA 38 2.582 7.884 20.192 270 3HB ALA 38 3HB ALA 38 2.778 9.452 19.372 271 H ALA 39 H ALA 39 4.329 8.432 16.995 272 HA ALA 39 HA ALA 39 3.664 10.817 15.730 273 1HB ALA 39 1HB ALA 39 5.952 10.355 16.095 274 2HB ALA 39 2HB ALA 39 5.834 8.737 15.363 275 3HB ALA 39 3HB ALA 39 5.756 10.187 14.334 276 H LEU 40 H LEU 40 3.528 7.388 14.637 277 HA LEU 40 HA LEU 40 2.773 8.120 11.983 278 1HB LEU 40 1HB LEU 40 2.675 5.473 13.437 279 2HB LEU 40 2HB LEU 40 2.397 5.698 11.722 280 HG LEU 40 HG LEU 40 4.993 6.426 13.101 281 1HD1 LEU 40 1HD1 LEU 40 4.879 4.026 11.366 282 2HD1 LEU 40 2HD1 LEU 40 5.821 4.342 12.843 283 3HD1 LEU 40 3HD1 LEU 40 4.105 3.885 12.963 284 1HD2 LEU 40 1HD2 LEU 40 4.004 6.513 10.292 285 2HD2 LEU 40 2HD2 LEU 40 5.121 7.597 11.157 286 3HD2 LEU 40 3HD2 LEU 40 5.693 6.020 10.562 287 H GLU 41 H GLU 41 1.141 7.408 15.061 288 HA GLU 41 HA GLU 41 -1.375 6.956 13.926 289 1HB GLU 41 1HB GLU 41 -0.398 7.689 16.700 290 2HB GLU 41 2HB GLU 41 -2.115 7.604 16.361 291 1HG GLU 41 1HG GLU 41 -0.683 5.268 15.285 292 2HG GLU 41 2HG GLU 41 -0.425 5.442 17.010 293 H SER 42 H SER 42 0.271 9.877 15.276 294 HA SER 42 HA SER 42 -1.993 11.508 14.899 295 1HB SER 42 1HB SER 42 0.506 11.714 16.188 296 2HB SER 42 2HB SER 42 0.572 12.936 14.934 297 HG SER 42 HG SER 42 -1.834 12.790 16.443 298 H ALA 43 H ALA 43 0.746 10.451 12.918 299 HA ALA 43 HA ALA 43 0.515 12.540 10.993 300 1HB ALA 43 1HB ALA 43 2.146 11.227 9.760 301 2HB ALA 43 2HB ALA 43 2.595 11.222 11.483 302 3HB ALA 43 3HB ALA 43 1.810 9.795 10.763 303 H TYR 44 H TYR 44 -0.811 9.240 11.455 304 HA TYR 44 HA TYR 44 -2.361 9.631 8.985 305 1HB TYR 44 1HB TYR 44 -1.400 7.211 10.626 306 2HB TYR 44 2HB TYR 44 -2.566 7.037 9.330 307 HD1 TYR 44 HD1 TYR 44 -1.370 9.016 7.362 308 HD2 TYR 44 HD2 TYR 44 0.427 5.974 9.775 309 HE1 TYR 44 HE1 TYR 44 0.532 8.801 5.688 310 HE2 TYR 44 HE2 TYR 44 2.322 5.769 8.093 311 HH TYR 44 HH TYR 44 3.315 6.767 6.373 312 H GLY 45 H GLY 45 -2.719 7.615 11.983 313 1HA GLY 45 1HA GLY 45 -4.426 7.404 13.430 314 2HA GLY 45 2HA GLY 45 -4.900 9.044 13.034 315 H LEU 46 H LEU 46 -6.116 9.353 10.886 316 HA LEU 46 HA LEU 46 -8.071 7.204 10.700 317 1HB LEU 46 1HB LEU 46 -8.042 10.127 10.252 318 2HB LEU 46 2HB LEU 46 -9.041 9.198 9.152 319 HG LEU 46 HG LEU 46 -10.267 10.085 11.114 320 1HD1 LEU 46 1HD1 LEU 46 -11.347 7.886 11.761 321 2HD1 LEU 46 2HD1 LEU 46 -11.269 8.245 10.019 322 3HD1 LEU 46 3HD1 LEU 46 -10.124 7.090 10.741 323 1HD2 LEU 46 1HD2 LEU 46 -8.061 9.301 12.573 324 2HD2 LEU 46 2HD2 LEU 46 -9.631 9.816 13.236 325 3HD2 LEU 46 3HD2 LEU 46 -9.286 8.084 13.009 326 H ARG 47 H ARG 47 -5.376 8.672 8.991 327 HA ARG 47 HA ARG 47 -6.213 7.456 6.523 328 1HB ARG 47 1HB ARG 47 -3.762 9.135 7.255 329 2HB ARG 47 2HB ARG 47 -4.072 8.526 5.642 330 1HG ARG 47 1HG ARG 47 -5.483 10.247 5.213 331 2HG ARG 47 2HG ARG 47 -6.478 9.822 6.592 332 1HD ARG 47 1HD ARG 47 -5.613 11.507 7.872 333 2HD ARG 47 2HD ARG 47 -3.964 11.110 7.431 334 HE ARG 47 HE ARG 47 -4.034 12.786 5.806 335 1HH1 ARG 47 2HH2 ARG 47 -7.330 11.887 6.647 336 2HH1 ARG 47 1HH2 ARG 47 -8.051 13.135 5.687 337 1HH2 ARG 47 2HH1 ARG 47 -4.985 14.432 4.539 338 2HH2 ARG 47 1HH1 ARG 47 -6.708 14.592 4.479 339 H VAL 48 H VAL 48 -5.749 5.596 8.638 340 HA VAL 48 HA VAL 48 -3.167 4.618 8.816 341 HB VAL 48 HB VAL 48 -5.668 2.937 8.869 342 1HG1 VAL 48 1HG1 VAL 48 -2.939 2.446 9.475 343 2HG1 VAL 48 2HG1 VAL 48 -3.819 2.482 11.022 344 3HG1 VAL 48 3HG1 VAL 48 -4.336 1.372 9.730 345 1HG2 VAL 48 1HG2 VAL 48 -6.541 4.260 10.440 346 2HG2 VAL 48 2HG2 VAL 48 -5.154 3.856 11.480 347 3HG2 VAL 48 3HG2 VAL 48 -5.096 5.300 10.441 348 HA PRO 49 HA PRO 49 -4.286 2.057 4.987 349 1HB PRO 49 1HB PRO 49 -6.402 2.825 3.437 350 2HB PRO 49 2HB PRO 49 -6.512 1.570 4.655 351 1HG PRO 49 1HG PRO 49 -7.525 4.345 4.757 352 2HG PRO 49 2HG PRO 49 -7.979 2.973 5.749 353 1HD PRO 49 1HD PRO 49 -6.271 5.149 6.508 354 2HD PRO 49 2HD PRO 49 -6.632 3.721 7.456 355 H VAL 50 H VAL 50 -2.357 3.682 5.053 356 HA VAL 50 HA VAL 50 -2.616 5.283 2.603 357 HB VAL 50 HB VAL 50 -1.150 5.661 5.184 358 1HG1 VAL 50 1HG1 VAL 50 0.672 5.817 3.647 359 2HG1 VAL 50 2HG1 VAL 50 -0.296 6.767 2.494 360 3HG1 VAL 50 3HG1 VAL 50 0.187 7.482 4.050 361 1HG2 VAL 50 1HG2 VAL 50 -3.419 6.714 4.514 362 2HG2 VAL 50 2HG2 VAL 50 -2.167 7.768 5.214 363 3HG2 VAL 50 3HG2 VAL 50 -2.448 7.767 3.457 364 H LEU 51 H LEU 51 -1.153 4.967 0.929 365 HA LEU 51 HA LEU 51 0.637 2.676 1.319 366 1HB LEU 51 1HB LEU 51 -1.317 3.283 -0.649 367 2HB LEU 51 2HB LEU 51 0.249 3.357 -1.431 368 HG LEU 51 HG LEU 51 -0.904 1.006 0.091 369 1HD1 LEU 51 1HD1 LEU 51 -0.124 0.392 -2.586 370 2HD1 LEU 51 2HD1 LEU 51 -1.743 0.344 -1.849 371 3HD1 LEU 51 3HD1 LEU 51 -1.157 1.840 -2.614 372 1HD2 LEU 51 1HD2 LEU 51 1.338 0.786 0.589 373 2HD2 LEU 51 2HD2 LEU 51 1.211 -0.129 -0.933 374 3HD2 LEU 51 3HD2 LEU 51 1.865 1.527 -0.942 375 H ARG 52 H ARG 52 2.817 2.940 1.122 376 HA ARG 52 HA ARG 52 3.665 5.496 0.024 377 1HB ARG 52 1HB ARG 52 5.430 5.630 1.755 378 2HB ARG 52 2HB ARG 52 3.855 5.526 2.515 379 1HG ARG 52 1HG ARG 52 4.171 3.270 3.179 380 2HG ARG 52 2HG ARG 52 5.412 2.983 1.976 381 1HD ARG 52 1HD ARG 52 6.189 5.149 3.809 382 2HD ARG 52 2HD ARG 52 5.822 3.676 4.686 383 HE ARG 52 HE ARG 52 7.459 3.064 2.390 384 1HH1 ARG 52 2HH2 ARG 52 7.636 4.488 5.603 385 2HH1 ARG 52 1HH2 ARG 52 9.309 4.099 5.823 386 1HH2 ARG 52 2HH1 ARG 52 9.667 2.550 2.680 387 2HH2 ARG 52 1HH1 ARG 52 10.472 2.989 4.149 388 H ASP 53 H ASP 53 5.905 5.455 -0.900 389 HA ASP 53 HA ASP 53 6.654 2.727 -1.609 390 1HB ASP 53 1HB ASP 53 7.785 4.268 -3.583 391 2HB ASP 53 2HB ASP 53 6.234 3.466 -3.730 392 HA PRO 54 HA PRO 54 10.683 3.826 -0.262 393 1HB PRO 54 1HB PRO 54 12.369 2.575 -2.011 394 2HB PRO 54 2HB PRO 54 11.550 1.740 -0.706 395 1HG PRO 54 1HG PRO 54 10.952 1.691 -3.600 396 2HG PRO 54 2HG PRO 54 10.444 0.568 -2.355 397 1HD PRO 54 1HD PRO 54 8.848 2.615 -3.575 398 2HD PRO 54 2HD PRO 54 8.377 1.569 -2.250 399 H MET 55 H MET 55 9.788 4.752 -3.416 400 HA MET 55 HA MET 55 12.059 6.193 -4.066 401 1HB MET 55 1HB MET 55 9.097 6.510 -4.783 402 2HB MET 55 2HB MET 55 10.341 7.489 -5.535 403 1HG MET 55 1HG MET 55 10.369 5.773 -7.075 404 2HG MET 55 2HG MET 55 11.456 5.032 -5.918 405 1HE MET 55 1HE MET 55 10.390 2.063 -6.468 406 2HE MET 55 2HE MET 55 9.088 2.498 -7.601 407 3HE MET 55 3HE MET 55 10.637 3.375 -7.645 408 H GLY 56 H GLY 56 9.251 6.953 -1.999 409 1HA GLY 56 1HA GLY 56 9.714 8.538 -0.212 410 2HA GLY 56 2HA GLY 56 10.503 9.565 -1.392 411 H ARG 57 H ARG 57 7.476 7.695 -1.941 412 HA ARG 57 HA ARG 57 6.010 10.184 -1.777 413 1HB ARG 57 1HB ARG 57 5.784 8.259 -4.145 414 2HB ARG 57 2HB ARG 57 4.890 9.753 -3.946 415 1HG ARG 57 1HG ARG 57 7.627 10.469 -3.638 416 2HG ARG 57 2HG ARG 57 7.591 9.351 -4.987 417 1HD ARG 57 1HD ARG 57 7.255 11.639 -5.821 418 2HD ARG 57 2HD ARG 57 5.789 10.713 -6.070 419 HE ARG 57 HE ARG 57 4.678 12.106 -4.552 420 1HH1 ARG 57 2HH2 ARG 57 8.151 12.473 -4.121 421 2HH1 ARG 57 1HH2 ARG 57 8.002 13.793 -3.010 422 1HH2 ARG 57 2HH1 ARG 57 4.481 13.848 -3.086 423 2HH2 ARG 57 1HH1 ARG 57 5.901 14.581 -2.417 424 H GLU 58 H GLU 58 3.511 9.670 -1.991 425 HA GLU 58 HA GLU 58 2.947 6.974 -1.104 426 1HB GLU 58 1HB GLU 58 1.399 8.006 0.694 427 2HB GLU 58 2HB GLU 58 3.119 7.990 1.026 428 1HG GLU 58 1HG GLU 58 2.972 10.229 1.372 429 2HG GLU 58 2HG GLU 58 2.763 10.404 -0.359 430 H LEU 59 H LEU 59 0.383 6.744 -0.906 431 HA LEU 59 HA LEU 59 -0.807 8.345 -3.062 432 1HB LEU 59 1HB LEU 59 -0.107 5.732 -3.317 433 2HB LEU 59 2HB LEU 59 -1.748 5.569 -2.725 434 HG LEU 59 HG LEU 59 -0.803 6.918 -5.255 435 1HD1 LEU 59 1HD1 LEU 59 -3.062 5.016 -5.269 436 2HD1 LEU 59 2HD1 LEU 59 -1.670 5.167 -6.368 437 3HD1 LEU 59 3HD1 LEU 59 -1.485 4.330 -4.809 438 1HD2 LEU 59 1HD2 LEU 59 -3.384 7.294 -3.770 439 2HD2 LEU 59 2HD2 LEU 59 -2.373 8.486 -4.622 440 3HD2 LEU 59 3HD2 LEU 59 -3.364 7.334 -5.549 441 H ASP 60 H ASP 60 -2.995 8.937 -2.789 442 HA ASP 60 HA ASP 60 -3.748 9.310 -0.155 443 1HB ASP 60 1HB ASP 60 -4.616 10.120 -2.731 444 2HB ASP 60 2HB ASP 60 -6.009 9.323 -2.028 445 H TRP 61 H TRP 61 -5.119 8.083 1.217 446 HA TRP 61 HA TRP 61 -5.397 5.419 0.961 447 1HB TRP 61 1HB TRP 61 -6.021 5.953 3.029 448 2HB TRP 61 2HB TRP 61 -6.642 7.522 2.554 449 HD1 TRP 61 HD1 TRP 61 -9.105 7.580 3.430 450 HE1 TRP 61 HE1 TRP 61 -11.263 6.061 3.361 451 HE3 TRP 61 HE3 TRP 61 -6.879 3.611 1.161 452 HZ2 TRP 61 HZ2 TRP 61 -11.784 3.430 2.387 453 HZ3 TRP 61 HZ3 TRP 61 -8.283 1.607 0.687 454 HH2 TRP 61 HH2 TRP 61 -10.655 1.476 1.261 455 HA PRO 62 HA PRO 62 -9.495 6.094 -1.332 456 1HB PRO 62 1HB PRO 62 -10.225 8.602 -2.138 457 2HB PRO 62 2HB PRO 62 -10.793 7.870 -0.650 458 1HG PRO 62 1HG PRO 62 -8.760 9.985 -1.017 459 2HG PRO 62 2HG PRO 62 -9.638 9.546 0.435 460 1HD PRO 62 1HD PRO 62 -6.915 8.895 -0.187 461 2HD PRO 62 2HD PRO 62 -7.828 8.359 1.209 462 H PHE 63 H PHE 63 -8.710 4.885 -2.980 463 HA PHE 63 HA PHE 63 -7.989 6.488 -5.295 464 1HB PHE 63 1HB PHE 63 -6.128 4.536 -5.519 465 2HB PHE 63 2HB PHE 63 -5.781 5.989 -4.603 466 HD1 PHE 63 HD1 PHE 63 -7.939 3.144 -3.577 467 HD2 PHE 63 HD2 PHE 63 -4.280 5.211 -2.986 468 HE1 PHE 63 HE1 PHE 63 -7.481 1.750 -1.541 469 HE2 PHE 63 HE2 PHE 63 -3.822 3.817 -0.949 470 HZ PHE 63 HZ PHE 63 -5.428 2.104 -0.251 471 H ASP 64 H ASP 64 -7.420 4.632 -7.157 472 HA ASP 64 HA ASP 64 -9.621 2.734 -6.926 473 1HB ASP 64 1HB ASP 64 -8.646 4.005 -9.519 474 2HB ASP 64 2HB ASP 64 -10.095 3.045 -9.293 475 H ALA 65 H ALA 65 -9.161 1.222 -9.241 476 HA ALA 65 HA ALA 65 -6.764 -0.172 -8.533 477 1HB ALA 65 1HB ALA 65 -7.755 -1.284 -10.881 478 2HB ALA 65 2HB ALA 65 -8.195 -1.776 -9.228 479 3HB ALA 65 3HB ALA 65 -9.208 -0.607 -10.107 480 HA PRO 66 HA PRO 66 -5.522 1.536 -12.770 481 1HB PRO 66 1HB PRO 66 -7.041 3.466 -13.968 482 2HB PRO 66 2HB PRO 66 -7.188 1.761 -14.344 483 1HG PRO 66 1HG PRO 66 -8.993 3.467 -12.740 484 2HG PRO 66 2HG PRO 66 -9.319 1.910 -13.475 485 1HD PRO 66 1HD PRO 66 -8.800 2.423 -10.701 486 2HD PRO 66 2HD PRO 66 -9.011 0.856 -11.455 487 H ARG 67 H ARG 67 -6.903 3.668 -10.445 488 HA ARG 67 HA ARG 67 -5.153 5.782 -11.122 489 1HB ARG 67 1HB ARG 67 -7.498 5.600 -9.689 490 2HB ARG 67 2HB ARG 67 -6.344 5.682 -8.374 491 1HG ARG 67 1HG ARG 67 -5.668 7.847 -8.901 492 2HG ARG 67 2HG ARG 67 -5.953 7.639 -10.618 493 1HD ARG 67 1HD ARG 67 -8.490 7.386 -9.238 494 2HD ARG 67 2HD ARG 67 -7.695 8.840 -8.667 495 HE ARG 67 HE ARG 67 -7.545 8.595 -11.566 496 1HH1 ARG 67 2HH2 ARG 67 -9.627 9.595 -8.911 497 2HH1 ARG 67 1HH2 ARG 67 -10.553 10.691 -9.881 498 1HH2 ARG 67 2HH1 ARG 67 -8.766 10.042 -12.846 499 2HH2 ARG 67 1HH1 ARG 67 -10.060 10.947 -12.134 500 H LEU 68 H LEU 68 -5.139 2.969 -8.947 501 HA LEU 68 HA LEU 68 -2.928 3.932 -7.392 502 1HB LEU 68 1HB LEU 68 -4.746 2.480 -6.517 503 2HB LEU 68 2HB LEU 68 -4.166 1.180 -7.539 504 HG LEU 68 HG LEU 68 -1.925 2.081 -6.056 505 1HD1 LEU 68 1HD1 LEU 68 -4.466 2.068 -4.470 506 2HD1 LEU 68 2HD1 LEU 68 -2.966 1.462 -3.727 507 3HD1 LEU 68 3HD1 LEU 68 -3.042 3.130 -4.346 508 1HD2 LEU 68 1HD2 LEU 68 -3.653 -0.394 -5.986 509 2HD2 LEU 68 2HD2 LEU 68 -2.068 -0.161 -6.761 510 3HD2 LEU 68 3HD2 LEU 68 -2.191 -0.213 -4.986 511 H ARG 69 H ARG 69 -3.496 1.717 -10.164 512 HA ARG 69 HA ARG 69 -0.877 0.756 -10.193 513 1HB ARG 69 1HB ARG 69 -2.701 -0.454 -11.314 514 2HB ARG 69 2HB ARG 69 -3.023 0.911 -12.366 515 1HG ARG 69 1HG ARG 69 -1.729 -0.514 -13.738 516 2HG ARG 69 2HG ARG 69 -0.550 0.649 -13.164 517 1HD ARG 69 1HD ARG 69 -0.109 -1.047 -11.217 518 2HD ARG 69 2HD ARG 69 -0.984 -2.205 -12.199 519 HE ARG 69 HE ARG 69 1.063 -0.848 -13.750 520 1HH1 ARG 69 2HH2 ARG 69 0.555 -3.423 -11.406 521 2HH1 ARG 69 1HH2 ARG 69 1.966 -4.308 -11.883 522 1HH2 ARG 69 2HH1 ARG 69 2.924 -2.015 -14.379 523 2HH2 ARG 69 1HH1 ARG 69 3.322 -3.502 -13.585 524 H ALA 70 H ALA 70 -2.621 3.308 -12.103 525 HA ALA 70 HA ALA 70 -0.525 4.036 -13.750 526 1HB ALA 70 1HB ALA 70 -2.879 4.734 -14.024 527 2HB ALA 70 2HB ALA 70 -2.750 5.749 -12.568 528 3HB ALA 70 3HB ALA 70 -1.788 6.141 -14.013 529 H TRP 71 H TRP 71 -1.187 4.759 -10.327 530 HA TRP 71 HA TRP 71 0.675 6.896 -10.153 531 1HB TRP 71 1HB TRP 71 -1.116 6.801 -8.594 532 2HB TRP 71 2HB TRP 71 -0.713 5.165 -8.111 533 HD1 TRP 71 HD1 TRP 71 0.766 8.753 -7.788 534 HE1 TRP 71 HE1 TRP 71 2.261 8.954 -5.622 535 HE3 TRP 71 HE3 TRP 71 0.475 3.844 -6.495 536 HZ2 TRP 71 HZ2 TRP 71 3.134 7.080 -3.656 537 HZ3 TRP 71 HZ3 TRP 71 1.678 3.112 -4.437 538 HH2 TRP 71 HH2 TRP 71 2.973 4.640 -3.037 539 H LEU 72 H LEU 72 0.714 3.328 -9.716 540 HA LEU 72 HA LEU 72 3.252 3.173 -8.549 541 1HB LEU 72 1HB LEU 72 1.581 1.227 -10.131 542 2HB LEU 72 2HB LEU 72 3.140 0.800 -9.454 543 HG LEU 72 HG LEU 72 0.869 1.868 -7.766 544 1HD1 LEU 72 1HD1 LEU 72 0.044 -0.251 -7.364 545 2HD1 LEU 72 2HD1 LEU 72 0.421 -0.326 -9.102 546 3HD1 LEU 72 3HD1 LEU 72 1.531 -1.056 -7.917 547 1HD2 LEU 72 1HD2 LEU 72 3.450 1.744 -7.096 548 2HD2 LEU 72 2HD2 LEU 72 2.138 1.430 -5.935 549 3HD2 LEU 72 3HD2 LEU 72 2.990 0.070 -6.704 550 H ASP 73 H ASP 73 2.176 2.836 -12.000 551 HA ASP 73 HA ASP 73 4.765 2.522 -12.958 552 1HB ASP 73 1HB ASP 73 2.249 2.316 -14.016 553 2HB ASP 73 2HB ASP 73 2.720 3.861 -14.695 554 H ALA 74 H ALA 74 2.593 5.341 -12.399 555 HA ALA 74 HA ALA 74 3.738 7.334 -13.780 556 1HB ALA 74 1HB ALA 74 1.957 8.064 -12.535 557 2HB ALA 74 2HB ALA 74 2.412 7.093 -11.114 558 3HB ALA 74 3HB ALA 74 3.256 8.623 -11.455 559 H ALA 75 H ALA 75 5.060 5.668 -10.901 560 HA ALA 75 HA ALA 75 6.948 6.010 -9.742 561 1HB ALA 75 1HB ALA 75 8.424 4.911 -11.027 562 2HB ALA 75 2HB ALA 75 7.417 5.262 -12.452 563 3HB ALA 75 3HB ALA 75 8.719 6.381 -11.985 564 HA PRO 76 HA PRO 76 7.047 10.535 -10.314 565 1HB PRO 76 1HB PRO 76 5.818 11.273 -7.988 566 2HB PRO 76 2HB PRO 76 4.971 11.132 -9.516 567 1HG PRO 76 1HG PRO 76 4.921 9.303 -7.194 568 2HG PRO 76 2HG PRO 76 3.790 9.415 -8.527 569 1HD PRO 76 1HD PRO 76 5.822 7.424 -8.163 570 2HD PRO 76 2HD PRO 76 4.768 7.604 -9.551 571 H HIS 77 H HIS 77 8.065 12.287 -8.904 572 HA HIS 77 HA HIS 77 9.839 11.001 -6.986 573 1HB HIS 77 1HB HIS 77 10.699 11.548 -9.538 574 2HB HIS 77 2HB HIS 77 11.157 13.013 -8.692 575 HD1 HIS 77 HD1 HIS 77 13.482 11.458 -9.642 576 HD2 HIS 77 HD2 HIS 77 11.629 10.582 -5.982 577 HE1 HIS 77 HE1 HIS 77 15.210 10.201 -8.248 578 H ALA 78 H ALA 78 8.975 14.163 -8.564 579 HA ALA 78 HA ALA 78 8.539 15.232 -5.880 580 1HB ALA 78 1HB ALA 78 9.742 17.336 -6.657 581 2HB ALA 78 2HB ALA 78 10.786 15.927 -6.353 582 3HB ALA 78 3HB ALA 78 10.365 16.379 -8.022 Start of MODEL 18 1 1H MET 1 1H MET 1 14.438 -2.788 -0.706 2 HA MET 1 HA MET 1 12.255 -4.022 0.567 3 1HB MET 1 1HB MET 1 13.699 -1.703 0.915 4 2HB MET 1 2HB MET 1 12.285 -1.043 0.117 5 1HG MET 1 1HG MET 1 11.281 -1.045 2.162 6 2HG MET 1 2HG MET 1 11.166 -2.786 2.002 7 1HE MET 1 1HE MET 1 10.919 -2.997 4.187 8 2HE MET 1 2HE MET 1 12.276 -4.065 4.616 9 3HE MET 1 3HE MET 1 12.011 -2.557 5.522 10 H ALA 2 H ALA 2 9.933 -3.400 0.277 11 HA ALA 2 HA ALA 2 9.368 -2.729 -2.530 12 1HB ALA 2 1HB ALA 2 8.254 -4.667 -2.758 13 2HB ALA 2 2HB ALA 2 8.889 -5.163 -1.171 14 3HB ALA 2 3HB ALA 2 7.310 -4.350 -1.283 15 H LEU 3 H LEU 3 6.525 -2.641 -2.195 16 HA LEU 3 HA LEU 3 6.249 -0.031 -1.238 17 1HB LEU 3 1HB LEU 3 4.280 -2.193 -1.962 18 2HB LEU 3 2HB LEU 3 3.771 -0.604 -1.428 19 HG LEU 3 HG LEU 3 5.699 -0.821 -3.718 20 1HD1 LEU 3 1HD1 LEU 3 4.150 -1.409 -5.296 21 2HD1 LEU 3 2HD1 LEU 3 3.585 -2.390 -3.923 22 3HD1 LEU 3 3HD1 LEU 3 2.770 -0.857 -4.317 23 1HD2 LEU 3 1HD2 LEU 3 5.126 1.374 -2.691 24 2HD2 LEU 3 2HD2 LEU 3 4.707 1.252 -4.417 25 3HD2 LEU 3 3HD2 LEU 3 3.434 1.116 -3.180 26 H THR 4 H THR 4 4.229 0.348 0.424 27 HA THR 4 HA THR 4 4.311 -1.455 2.664 28 HB THR 4 HB THR 4 5.663 1.291 2.743 29 HG1 THR 4 HG1 THR 4 6.363 -1.483 3.413 30 1HG2 THR 4 1HG2 THR 4 4.439 1.099 4.845 31 2HG2 THR 4 2HG2 THR 4 4.843 -0.629 4.980 32 3HG2 THR 4 3HG2 THR 4 6.116 0.600 5.175 33 H LEU 5 H LEU 5 2.171 -1.663 2.934 34 HA LEU 5 HA LEU 5 0.583 0.794 2.789 35 1HB LEU 5 1HB LEU 5 -0.306 -0.690 1.272 36 2HB LEU 5 2HB LEU 5 0.031 -2.094 2.265 37 HG LEU 5 HG LEU 5 -1.767 -1.042 3.873 38 1HD1 LEU 5 1HD1 LEU 5 -2.350 0.996 3.017 39 2HD1 LEU 5 2HD1 LEU 5 -2.140 0.478 1.327 40 3HD1 LEU 5 3HD1 LEU 5 -3.581 -0.028 2.241 41 1HD2 LEU 5 1HD2 LEU 5 -2.403 -3.092 3.160 42 2HD2 LEU 5 2HD2 LEU 5 -3.543 -2.137 2.182 43 3HD2 LEU 5 3HD2 LEU 5 -2.036 -2.741 1.454 44 H TYR 6 H TYR 6 0.507 1.769 4.757 45 HA TYR 6 HA TYR 6 0.831 0.384 7.175 46 1HB TYR 6 1HB TYR 6 -0.406 3.066 6.307 47 2HB TYR 6 2HB TYR 6 -0.159 2.667 7.996 48 HD1 TYR 6 HD1 TYR 6 1.461 3.655 4.863 49 HD2 TYR 6 HD2 TYR 6 2.119 2.533 8.939 50 HE1 TYR 6 HE1 TYR 6 3.835 4.555 4.735 51 HE2 TYR 6 HE2 TYR 6 4.491 3.437 8.797 52 HH TYR 6 HH TYR 6 5.642 5.022 5.839 53 H GLN 7 H GLN 7 -0.599 -0.538 8.609 54 HA GLN 7 HA GLN 7 -3.322 0.080 8.588 55 1HB GLN 7 1HB GLN 7 -4.247 -2.058 7.777 56 2HB GLN 7 2HB GLN 7 -3.340 -1.256 6.510 57 1HG GLN 7 1HG GLN 7 -2.335 -3.308 6.283 58 2HG GLN 7 2HG GLN 7 -1.333 -2.747 7.607 59 1HE2 GLN 7 1HE2 GLN 7 -1.950 -5.441 6.946 60 2HE2 GLN 7 2HE2 GLN 7 -2.792 -6.164 8.276 61 H ARG 8 H ARG 8 -4.345 -0.735 10.477 62 HA ARG 8 HA ARG 8 -2.821 -2.683 11.970 63 1HB ARG 8 1HB ARG 8 -3.192 -1.247 14.075 64 2HB ARG 8 2HB ARG 8 -1.990 -0.647 12.950 65 1HG ARG 8 1HG ARG 8 -3.169 1.259 12.576 66 2HG ARG 8 2HG ARG 8 -4.630 0.362 12.215 67 1HD ARG 8 1HD ARG 8 -3.825 0.487 15.107 68 2HD ARG 8 2HD ARG 8 -4.391 1.982 14.391 69 HE ARG 8 HE ARG 8 -6.135 -0.262 13.745 70 1HH1 ARG 8 2HH2 ARG 8 -5.378 2.127 16.215 71 2HH1 ARG 8 1HH2 ARG 8 -6.958 2.082 16.924 72 1HH2 ARG 8 2HH1 ARG 8 -8.219 -0.323 14.681 73 2HH2 ARG 8 1HH1 ARG 8 -8.585 0.679 16.046 74 H ASP 9 H ASP 9 -4.342 -4.307 12.191 75 HA ASP 9 HA ASP 9 -6.277 -5.300 12.394 76 1HB ASP 9 1HB ASP 9 -5.647 -4.121 14.762 77 2HB ASP 9 2HB ASP 9 -7.186 -3.333 14.479 78 H ASP 10 H ASP 10 -7.376 -4.733 10.408 79 HA ASP 10 HA ASP 10 -9.594 -2.976 10.812 80 1HB ASP 10 1HB ASP 10 -7.367 -1.818 9.714 81 2HB ASP 10 2HB ASP 10 -8.107 -2.459 8.261 82 H CYS 11 H CYS 11 -11.295 -3.425 9.193 83 HA CYS 11 HA CYS 11 -10.653 -5.445 7.214 84 1HB CYS 11 1HB CYS 11 -11.474 -6.488 9.479 85 2HB CYS 11 2HB CYS 11 -13.054 -5.933 8.964 86 HG CYS 11 HG CYS 11 -11.307 -8.408 8.102 87 H HIS 12 H HIS 12 -10.944 -3.072 6.257 88 HA HIS 12 HA HIS 12 -13.300 -3.047 4.827 89 1HB HIS 12 1HB HIS 12 -14.549 -2.461 6.744 90 2HB HIS 12 2HB HIS 12 -13.345 -1.313 7.295 91 HD1 HIS 12 HD1 HIS 12 -12.972 0.744 5.313 92 HD2 HIS 12 HD2 HIS 12 -16.680 -1.190 5.633 93 HE1 HIS 12 HE1 HIS 12 -14.682 2.294 4.226 94 H LEU 13 H LEU 13 -11.601 -0.279 6.444 95 HA LEU 13 HA LEU 13 -11.149 1.028 4.008 96 1HB LEU 13 1HB LEU 13 -11.117 1.726 6.612 97 2HB LEU 13 2HB LEU 13 -9.393 1.609 6.321 98 HG LEU 13 HG LEU 13 -9.715 3.175 4.354 99 1HD1 LEU 13 1HD1 LEU 13 -11.708 4.471 4.158 100 2HD1 LEU 13 2HD1 LEU 13 -12.181 2.754 4.157 101 3HD1 LEU 13 3HD1 LEU 13 -12.404 3.739 5.623 102 1HD2 LEU 13 1HD2 LEU 13 -9.128 4.883 5.683 103 2HD2 LEU 13 2HD2 LEU 13 -10.601 4.758 6.674 104 3HD2 LEU 13 3HD2 LEU 13 -9.222 3.677 6.990 105 H CYS 14 H CYS 14 -9.156 -1.191 6.022 106 HA CYS 14 HA CYS 14 -6.873 -0.871 4.364 107 1HB CYS 14 1HB CYS 14 -6.747 -1.500 6.769 108 2HB CYS 14 2HB CYS 14 -7.488 -3.044 6.394 109 HG CYS 14 HG CYS 14 -5.695 -3.824 4.653 110 H ASP 15 H ASP 15 -9.627 -3.172 4.694 111 HA ASP 15 HA ASP 15 -8.703 -5.121 3.010 112 1HB ASP 15 1HB ASP 15 -10.995 -4.677 4.460 113 2HB ASP 15 2HB ASP 15 -11.611 -4.435 2.838 114 H GLN 16 H GLN 16 -10.776 -2.199 2.361 115 HA GLN 16 HA GLN 16 -11.093 -2.660 -0.342 116 1HB GLN 16 1HB GLN 16 -11.390 -0.323 1.507 117 2HB GLN 16 2HB GLN 16 -11.284 0.053 -0.201 118 1HG GLN 16 1HG GLN 16 -13.088 -1.824 -0.521 119 2HG GLN 16 2HG GLN 16 -13.340 -1.687 1.208 120 1HE2 GLN 16 1HE2 GLN 16 -14.971 -0.463 1.721 121 2HE2 GLN 16 2HE2 GLN 16 -15.502 0.981 0.925 122 H ALA 17 H ALA 17 -8.396 -1.347 1.531 123 HA ALA 17 HA ALA 17 -7.132 -0.055 -0.668 124 1HB ALA 17 1HB ALA 17 -5.153 -0.169 1.002 125 2HB ALA 17 2HB ALA 17 -6.591 0.765 1.480 126 3HB ALA 17 3HB ALA 17 -6.332 -0.868 2.138 127 H VAL 18 H VAL 18 -6.654 -3.192 1.094 128 HA VAL 18 HA VAL 18 -4.545 -4.074 -0.497 129 HB VAL 18 HB VAL 18 -6.647 -5.592 1.059 130 1HG1 VAL 18 1HG1 VAL 18 -5.567 -7.066 -0.561 131 2HG1 VAL 18 2HG1 VAL 18 -3.962 -6.531 -0.007 132 3HG1 VAL 18 3HG1 VAL 18 -5.021 -7.450 1.089 133 1HG2 VAL 18 1HG2 VAL 18 -4.386 -5.750 2.540 134 2HG2 VAL 18 2HG2 VAL 18 -4.160 -4.149 1.795 135 3HG2 VAL 18 3HG2 VAL 18 -5.622 -4.486 2.752 136 H GLU 19 H GLU 19 -8.092 -4.145 -0.922 137 HA GLU 19 HA GLU 19 -8.157 -6.021 -2.946 138 1HB GLU 19 1HB GLU 19 -10.001 -4.431 -1.579 139 2HB GLU 19 2HB GLU 19 -10.128 -3.839 -3.223 140 1HG GLU 19 1HG GLU 19 -9.995 -6.797 -3.052 141 2HG GLU 19 2HG GLU 19 -11.382 -6.119 -2.224 142 H ALA 20 H ALA 20 -7.937 -2.400 -3.086 143 HA ALA 20 HA ALA 20 -7.898 -2.199 -5.858 144 1HB ALA 20 1HB ALA 20 -6.337 -0.339 -4.069 145 2HB ALA 20 2HB ALA 20 -7.366 0.040 -5.471 146 3HB ALA 20 3HB ALA 20 -8.108 -0.428 -3.922 147 H LEU 21 H LEU 21 -5.302 -2.822 -3.450 148 HA LEU 21 HA LEU 21 -3.152 -2.513 -5.196 149 1HB LEU 21 1HB LEU 21 -3.663 -3.555 -2.522 150 2HB LEU 21 2HB LEU 21 -2.398 -4.439 -3.351 151 HG LEU 21 HG LEU 21 -2.368 -1.425 -3.190 152 1HD1 LEU 21 1HD1 LEU 21 -0.542 -2.383 -1.300 153 2HD1 LEU 21 2HD1 LEU 21 -2.068 -1.520 -0.991 154 3HD1 LEU 21 3HD1 LEU 21 -2.040 -3.299 -1.006 155 1HD2 LEU 21 1HD2 LEU 21 0.072 -1.758 -3.477 156 2HD2 LEU 21 2HD2 LEU 21 -0.216 -3.506 -3.658 157 3HD2 LEU 21 3HD2 LEU 21 -0.889 -2.365 -4.847 158 H ALA 22 H ALA 22 -4.901 -5.527 -4.159 159 HA ALA 22 HA ALA 22 -3.526 -7.260 -5.808 160 1HB ALA 22 1HB ALA 22 -6.439 -7.355 -4.922 161 2HB ALA 22 2HB ALA 22 -5.463 -8.738 -5.473 162 3HB ALA 22 3HB ALA 22 -5.045 -7.902 -3.958 163 H GLN 23 H GLN 23 -6.515 -5.315 -6.437 164 HA GLN 23 HA GLN 23 -7.012 -6.330 -8.939 165 1HB GLN 23 1HB GLN 23 -7.653 -3.730 -7.544 166 2HB GLN 23 2HB GLN 23 -8.043 -3.892 -9.245 167 1HG GLN 23 1HG GLN 23 -8.933 -6.315 -8.071 168 2HG GLN 23 2HG GLN 23 -9.381 -5.073 -6.918 169 1HE2 GLN 23 1HE2 GLN 23 -11.042 -3.762 -7.311 170 2HE2 GLN 23 2HE2 GLN 23 -11.991 -3.729 -8.759 171 H ALA 24 H ALA 24 -4.872 -3.633 -7.873 172 HA ALA 24 HA ALA 24 -4.204 -2.875 -10.538 173 1HB ALA 24 1HB ALA 24 -3.124 -2.240 -7.773 174 2HB ALA 24 2HB ALA 24 -2.391 -1.582 -9.256 175 3HB ALA 24 3HB ALA 24 -4.082 -1.198 -8.853 176 H ARG 25 H ARG 25 -3.469 -5.581 -8.614 177 HA ARG 25 HA ARG 25 -2.013 -7.171 -8.736 178 1HB ARG 25 1HB ARG 25 -1.968 -6.058 -11.522 179 2HB ARG 25 2HB ARG 25 -0.638 -7.124 -11.115 180 1HG ARG 25 1HG ARG 25 -3.175 -8.227 -10.146 181 2HG ARG 25 2HG ARG 25 -3.268 -7.883 -11.862 182 1HD ARG 25 1HD ARG 25 -0.761 -9.056 -11.686 183 2HD ARG 25 2HD ARG 25 -1.627 -9.914 -10.427 184 HE ARG 25 HE ARG 25 -3.206 -9.736 -12.861 185 1HH1 ARG 25 2HH2 ARG 25 -0.575 -11.504 -11.332 186 2HH1 ARG 25 1HH2 ARG 25 -0.825 -12.939 -12.269 187 1HH2 ARG 25 2HH1 ARG 25 -3.537 -11.630 -14.097 188 2HH2 ARG 25 1HH1 ARG 25 -2.521 -13.011 -13.852 189 H ALA 26 H ALA 26 -1.135 -4.811 -7.409 190 HA ALA 26 HA ALA 26 1.262 -3.741 -8.205 191 1HB ALA 26 1HB ALA 26 -0.279 -4.067 -5.707 192 2HB ALA 26 2HB ALA 26 1.473 -3.875 -5.457 193 3HB ALA 26 3HB ALA 26 0.561 -2.638 -6.354 194 H GLY 27 H GLY 27 0.738 -6.604 -6.021 195 1HA GLY 27 1HA GLY 27 2.113 -8.569 -6.697 196 2HA GLY 27 2HA GLY 27 3.479 -7.471 -6.723 197 H ALA 28 H ALA 28 4.729 -8.237 -5.023 198 HA ALA 28 HA ALA 28 3.419 -8.799 -2.495 199 1HB ALA 28 1HB ALA 28 6.336 -9.011 -3.344 200 2HB ALA 28 2HB ALA 28 5.616 -9.674 -1.858 201 3HB ALA 28 3HB ALA 28 5.142 -10.326 -3.445 202 H PHE 29 H PHE 29 4.141 -7.778 -0.478 203 HA PHE 29 HA PHE 29 5.748 -5.425 -0.655 204 1HB PHE 29 1HB PHE 29 3.813 -3.958 0.146 205 2HB PHE 29 2HB PHE 29 3.592 -4.540 -1.492 206 HD1 PHE 29 HD1 PHE 29 2.664 -5.294 2.029 207 HD2 PHE 29 HD2 PHE 29 1.651 -5.698 -2.072 208 HE1 PHE 29 HE1 PHE 29 0.440 -6.264 2.674 209 HE2 PHE 29 HE2 PHE 29 -0.573 -6.667 -1.427 210 HZ PHE 29 HZ PHE 29 -1.152 -6.939 0.938 211 H PHE 30 H PHE 30 5.154 -4.131 1.672 212 HA PHE 30 HA PHE 30 5.267 -6.290 3.660 213 1HB PHE 30 1HB PHE 30 6.663 -3.569 3.369 214 2HB PHE 30 2HB PHE 30 6.669 -4.438 4.891 215 HD1 PHE 30 HD1 PHE 30 8.603 -5.592 5.330 216 HD2 PHE 30 HD2 PHE 30 7.326 -5.255 1.298 217 HE1 PHE 30 HE1 PHE 30 10.621 -6.885 4.583 218 HE2 PHE 30 HE2 PHE 30 9.344 -6.548 0.551 219 HZ PHE 30 HZ PHE 30 10.967 -7.347 2.203 220 H SER 31 H SER 31 4.154 -5.989 5.637 221 HA SER 31 HA SER 31 2.204 -3.841 5.488 222 1HB SER 31 1HB SER 31 1.785 -6.507 5.847 223 2HB SER 31 2HB SER 31 1.943 -6.024 7.524 224 HG SER 31 HG SER 31 0.337 -4.218 6.796 225 H VAL 32 H VAL 32 1.949 -2.353 7.217 226 HA VAL 32 HA VAL 32 3.758 -2.700 9.489 227 HB VAL 32 HB VAL 32 3.558 -0.306 7.662 228 1HG1 VAL 32 1HG1 VAL 32 3.878 -0.292 10.494 229 2HG1 VAL 32 2HG1 VAL 32 5.453 0.112 9.768 230 3HG1 VAL 32 3HG1 VAL 32 4.010 1.070 9.355 231 1HG2 VAL 32 1HG2 VAL 32 5.597 -2.393 8.230 232 2HG2 VAL 32 2HG2 VAL 32 5.263 -1.486 6.735 233 3HG2 VAL 32 3HG2 VAL 32 6.197 -0.727 8.047 234 H PHE 33 H PHE 33 2.891 -2.030 11.447 235 HA PHE 33 HA PHE 33 0.104 -1.163 11.278 236 1HB PHE 33 1HB PHE 33 1.717 -2.173 13.685 237 2HB PHE 33 2HB PHE 33 -0.028 -2.165 13.523 238 HD1 PHE 33 HD1 PHE 33 3.018 -3.982 12.855 239 HD2 PHE 33 HD2 PHE 33 -1.124 -3.776 11.958 240 HE1 PHE 33 HE1 PHE 33 3.087 -6.340 11.998 241 HE2 PHE 33 HE2 PHE 33 -1.056 -6.134 11.100 242 HZ PHE 33 HZ PHE 33 1.049 -7.387 11.131 243 H ILE 34 H ILE 34 -0.436 0.900 11.810 244 HA ILE 34 HA ILE 34 1.618 2.644 12.778 245 HB ILE 34 HB ILE 34 0.081 4.387 12.374 246 1HG1 ILE 34 1HG1 ILE 34 -2.277 2.793 11.647 247 2HG1 ILE 34 2HG1 ILE 34 -1.862 2.679 13.346 248 1HG2 ILE 34 1HG2 ILE 34 -0.624 3.954 10.051 249 2HG2 ILE 34 2HG2 ILE 34 1.040 3.411 10.373 250 3HG2 ILE 34 3HG2 ILE 34 -0.282 2.223 10.284 251 1HD1 ILE 34 1HD1 ILE 34 -2.002 5.359 11.906 252 2HD1 ILE 34 2HD1 ILE 34 -3.423 4.614 12.677 253 3HD1 ILE 34 3HD1 ILE 34 -2.006 5.055 13.660 254 H ASP 35 H ASP 35 -0.669 0.500 14.189 255 HA ASP 35 HA ASP 35 -1.500 1.896 16.382 256 1HB ASP 35 1HB ASP 35 -2.041 -0.222 17.328 257 2HB ASP 35 2HB ASP 35 -2.132 -0.476 15.597 258 H ASP 36 H ASP 36 -0.641 1.961 18.619 259 HA ASP 36 HA ASP 36 0.876 1.817 20.207 260 1HB ASP 36 1HB ASP 36 1.813 -0.204 18.630 261 2HB ASP 36 2HB ASP 36 3.142 0.923 18.450 262 H ASP 37 H ASP 37 2.361 2.537 16.955 263 HA ASP 37 HA ASP 37 4.072 4.503 17.968 264 1HB ASP 37 1HB ASP 37 3.034 3.862 15.176 265 2HB ASP 37 2HB ASP 37 4.171 5.165 15.457 266 H ALA 38 H ALA 38 3.094 6.291 18.993 267 HA ALA 38 HA ALA 38 0.587 7.314 18.186 268 1HB ALA 38 1HB ALA 38 0.874 7.942 20.338 269 2HB ALA 38 2HB ALA 38 2.646 7.806 20.231 270 3HB ALA 38 3HB ALA 38 1.833 9.291 19.681 271 H ALA 39 H ALA 39 3.991 8.004 17.368 272 HA ALA 39 HA ALA 39 3.618 10.516 16.227 273 1HB ALA 39 1HB ALA 39 5.827 9.780 16.700 274 2HB ALA 39 2HB ALA 39 5.604 8.264 15.794 275 3HB ALA 39 3HB ALA 39 5.722 9.812 14.924 276 H LEU 40 H LEU 40 3.554 7.200 14.749 277 HA LEU 40 HA LEU 40 2.895 8.162 12.184 278 1HB LEU 40 1HB LEU 40 2.505 5.425 13.403 279 2HB LEU 40 2HB LEU 40 2.415 5.810 11.696 280 HG LEU 40 HG LEU 40 4.907 6.235 13.363 281 1HD1 LEU 40 1HD1 LEU 40 4.151 3.845 11.659 282 2HD1 LEU 40 2HD1 LEU 40 5.761 4.150 12.353 283 3HD1 LEU 40 3HD1 LEU 40 4.367 3.875 13.425 284 1HD2 LEU 40 1HD2 LEU 40 4.379 7.406 11.039 285 2HD2 LEU 40 2HD2 LEU 40 6.005 6.809 11.451 286 3HD2 LEU 40 3HD2 LEU 40 4.939 5.839 10.406 287 H GLU 41 H GLU 41 0.997 7.131 15.046 288 HA GLU 41 HA GLU 41 -1.445 6.979 13.769 289 1HB GLU 41 1HB GLU 41 -0.633 7.562 16.636 290 2HB GLU 41 2HB GLU 41 -2.321 7.510 16.169 291 1HG GLU 41 1HG GLU 41 -0.716 5.209 15.175 292 2HG GLU 41 2HG GLU 41 -0.819 5.307 16.921 293 H SER 42 H SER 42 0.250 9.744 15.365 294 HA SER 42 HA SER 42 -1.897 11.509 14.970 295 1HB SER 42 1HB SER 42 0.564 11.526 16.343 296 2HB SER 42 2HB SER 42 0.740 12.791 15.143 297 HG SER 42 HG SER 42 -0.628 14.026 16.232 298 H ALA 43 H ALA 43 0.851 10.398 13.028 299 HA ALA 43 HA ALA 43 0.779 12.575 11.188 300 1HB ALA 43 1HB ALA 43 2.606 11.542 10.265 301 2HB ALA 43 2HB ALA 43 2.621 10.711 11.838 302 3HB ALA 43 3HB ALA 43 1.901 9.916 10.418 303 H TYR 44 H TYR 44 -0.652 9.284 11.421 304 HA TYR 44 HA TYR 44 -2.119 9.862 8.940 305 1HB TYR 44 1HB TYR 44 -1.308 7.337 10.501 306 2HB TYR 44 2HB TYR 44 -2.442 7.264 9.168 307 HD1 TYR 44 HD1 TYR 44 0.867 6.729 10.002 308 HD2 TYR 44 HD2 TYR 44 -1.489 8.607 6.964 309 HE1 TYR 44 HE1 TYR 44 2.798 6.515 8.362 310 HE2 TYR 44 HE2 TYR 44 0.450 8.387 5.335 311 HH TYR 44 HH TYR 44 2.848 6.370 5.651 312 H GLY 45 H GLY 45 -2.666 7.730 11.827 313 1HA GLY 45 1HA GLY 45 -4.425 7.537 13.213 314 2HA GLY 45 2HA GLY 45 -4.829 9.206 12.860 315 H LEU 46 H LEU 46 -5.922 9.616 10.645 316 HA LEU 46 HA LEU 46 -7.963 7.562 10.335 317 1HB LEU 46 1HB LEU 46 -7.874 10.440 10.251 318 2HB LEU 46 2HB LEU 46 -8.537 9.820 8.753 319 HG LEU 46 HG LEU 46 -10.271 10.337 10.417 320 1HD1 LEU 46 1HD1 LEU 46 -9.912 7.717 9.141 321 2HD1 LEU 46 2HD1 LEU 46 -11.082 7.719 10.483 322 3HD1 LEU 46 3HD1 LEU 46 -11.297 8.836 9.113 323 1HD2 LEU 46 1HD2 LEU 46 -9.187 9.947 12.491 324 2HD2 LEU 46 2HD2 LEU 46 -10.523 8.774 12.383 325 3HD2 LEU 46 3HD2 LEU 46 -8.850 8.248 12.079 326 H ARG 47 H ARG 47 -5.131 8.932 8.780 327 HA ARG 47 HA ARG 47 -5.916 7.792 6.255 328 1HB ARG 47 1HB ARG 47 -3.501 9.444 7.136 329 2HB ARG 47 2HB ARG 47 -3.651 8.788 5.518 330 1HG ARG 47 1HG ARG 47 -4.959 10.536 4.916 331 2HG ARG 47 2HG ARG 47 -6.144 10.078 6.123 332 1HD ARG 47 1HD ARG 47 -5.492 11.736 7.564 333 2HD ARG 47 2HD ARG 47 -3.788 11.412 7.313 334 HE ARG 47 HE ARG 47 -4.951 12.652 4.965 335 1HH1 ARG 47 2HH2 ARG 47 -3.778 13.359 8.207 336 2HH1 ARG 47 1HH2 ARG 47 -3.388 15.007 7.844 337 1HH2 ARG 47 2HH1 ARG 47 -4.437 14.826 4.486 338 2HH2 ARG 47 1HH1 ARG 47 -3.765 15.847 5.714 339 H VAL 48 H VAL 48 -5.585 5.892 8.361 340 HA VAL 48 HA VAL 48 -3.041 4.838 8.623 341 HB VAL 48 HB VAL 48 -5.818 4.024 9.086 342 1HG1 VAL 48 1HG1 VAL 48 -4.944 1.590 9.533 343 2HG1 VAL 48 2HG1 VAL 48 -5.490 2.058 7.905 344 3HG1 VAL 48 3HG1 VAL 48 -3.750 1.996 8.277 345 1HG2 VAL 48 1HG2 VAL 48 -4.280 2.888 11.044 346 2HG2 VAL 48 2HG2 VAL 48 -3.250 4.244 10.526 347 3HG2 VAL 48 3HG2 VAL 48 -4.913 4.551 11.083 348 HA PRO 49 HA PRO 49 -4.035 2.296 4.758 349 1HB PRO 49 1HB PRO 49 -6.195 2.942 3.214 350 2HB PRO 49 2HB PRO 49 -6.232 1.686 4.435 351 1HG PRO 49 1HG PRO 49 -7.396 4.401 4.534 352 2HG PRO 49 2HG PRO 49 -7.770 3.009 5.531 353 1HD PRO 49 1HD PRO 49 -6.183 5.278 6.278 354 2HD PRO 49 2HD PRO 49 -6.461 3.834 7.231 355 H VAL 50 H VAL 50 -2.103 3.728 4.602 356 HA VAL 50 HA VAL 50 -2.507 5.472 2.270 357 HB VAL 50 HB VAL 50 -0.834 5.753 4.747 358 1HG1 VAL 50 1HG1 VAL 50 0.904 6.266 3.365 359 2HG1 VAL 50 2HG1 VAL 50 -0.156 6.664 1.992 360 3HG1 VAL 50 3HG1 VAL 50 0.069 7.837 3.312 361 1HG2 VAL 50 1HG2 VAL 50 -3.207 6.766 4.322 362 2HG2 VAL 50 2HG2 VAL 50 -1.932 7.777 5.044 363 3HG2 VAL 50 3HG2 VAL 50 -2.325 7.941 3.316 364 H LEU 51 H LEU 51 -1.336 5.003 0.457 365 HA LEU 51 HA LEU 51 0.453 2.714 0.666 366 1HB LEU 51 1HB LEU 51 -1.487 2.842 -0.956 367 2HB LEU 51 2HB LEU 51 -0.582 4.068 -1.821 368 HG LEU 51 HG LEU 51 0.763 2.570 -2.809 369 1HD1 LEU 51 1HD1 LEU 51 2.053 2.133 -0.809 370 2HD1 LEU 51 2HD1 LEU 51 0.828 0.978 -0.231 371 3HD1 LEU 51 3HD1 LEU 51 1.776 0.613 -1.693 372 1HD2 LEU 51 1HD2 LEU 51 -0.687 1.125 -3.657 373 2HD2 LEU 51 2HD2 LEU 51 -0.524 0.099 -2.212 374 3HD2 LEU 51 3HD2 LEU 51 -1.766 1.374 -2.263 375 H ARG 52 H ARG 52 2.575 3.089 0.981 376 HA ARG 52 HA ARG 52 3.590 5.591 -0.104 377 1HB ARG 52 1HB ARG 52 5.329 5.499 1.642 378 2HB ARG 52 2HB ARG 52 3.749 5.359 2.388 379 1HG ARG 52 1HG ARG 52 4.178 3.256 3.162 380 2HG ARG 52 2HG ARG 52 4.815 2.725 1.618 381 1HD ARG 52 1HD ARG 52 6.564 4.634 3.115 382 2HD ARG 52 2HD ARG 52 6.348 3.071 3.878 383 HE ARG 52 HE ARG 52 6.972 2.930 1.006 384 1HH1 ARG 52 2HH2 ARG 52 8.280 2.996 4.272 385 2HH1 ARG 52 1HH2 ARG 52 9.781 2.258 3.823 386 1HH2 ARG 52 2HH1 ARG 52 8.953 1.956 0.413 387 2HH2 ARG 52 1HH1 ARG 52 10.166 1.663 1.613 388 H ASP 53 H ASP 53 6.002 5.465 -0.779 389 HA ASP 53 HA ASP 53 6.573 2.797 -1.802 390 1HB ASP 53 1HB ASP 53 7.794 4.427 -3.641 391 2HB ASP 53 2HB ASP 53 6.206 3.719 -3.861 392 HA PRO 54 HA PRO 54 10.620 3.625 -0.321 393 1HB PRO 54 1HB PRO 54 12.282 2.440 -2.138 394 2HB PRO 54 2HB PRO 54 11.410 1.544 -0.911 395 1HG PRO 54 1HG PRO 54 10.857 1.738 -3.808 396 2HG PRO 54 2HG PRO 54 10.284 0.546 -2.659 397 1HD PRO 54 1HD PRO 54 8.791 2.744 -3.741 398 2HD PRO 54 2HD PRO 54 8.257 1.621 -2.505 399 H MET 55 H MET 55 9.789 4.847 -3.382 400 HA MET 55 HA MET 55 12.149 6.250 -3.856 401 1HB MET 55 1HB MET 55 9.237 6.556 -4.727 402 2HB MET 55 2HB MET 55 10.447 7.700 -5.272 403 1HG MET 55 1HG MET 55 10.513 6.118 -7.004 404 2HG MET 55 2HG MET 55 11.810 5.541 -5.977 405 1HE MET 55 1HE MET 55 11.867 2.880 -6.182 406 2HE MET 55 2HE MET 55 10.453 2.132 -6.963 407 3HE MET 55 3HE MET 55 11.225 3.557 -7.698 408 H GLY 56 H GLY 56 9.135 7.038 -2.057 409 1HA GLY 56 1HA GLY 56 9.557 8.474 -0.095 410 2HA GLY 56 2HA GLY 56 10.426 9.550 -1.170 411 H ARG 57 H ARG 57 7.383 7.745 -1.894 412 HA ARG 57 HA ARG 57 5.967 10.262 -1.750 413 1HB ARG 57 1HB ARG 57 5.749 8.389 -4.158 414 2HB ARG 57 2HB ARG 57 4.950 9.938 -3.969 415 1HG ARG 57 1HG ARG 57 7.671 10.539 -3.554 416 2HG ARG 57 2HG ARG 57 7.702 9.352 -4.843 417 1HD ARG 57 1HD ARG 57 5.942 10.730 -6.068 418 2HD ARG 57 2HD ARG 57 6.099 11.954 -4.824 419 HE ARG 57 HE ARG 57 8.689 11.237 -5.929 420 1HH1 ARG 57 2HH2 ARG 57 5.805 13.160 -6.533 421 2HH1 ARG 57 1HH2 ARG 57 6.623 14.302 -7.546 422 1HH2 ARG 57 2HH1 ARG 57 9.770 12.744 -7.265 423 2HH2 ARG 57 1HH1 ARG 57 8.894 14.064 -7.965 424 H GLU 58 H GLU 58 3.522 9.908 -1.799 425 HA GLU 58 HA GLU 58 2.847 7.174 -1.070 426 1HB GLU 58 1HB GLU 58 1.199 8.401 0.622 427 2HB GLU 58 2HB GLU 58 2.848 8.030 1.083 428 1HG GLU 58 1HG GLU 58 2.504 10.326 1.695 429 2HG GLU 58 2HG GLU 58 3.507 10.364 0.259 430 H LEU 59 H LEU 59 0.326 6.902 -1.049 431 HA LEU 59 HA LEU 59 -0.802 8.604 -3.160 432 1HB LEU 59 1HB LEU 59 -0.058 6.326 -3.922 433 2HB LEU 59 2HB LEU 59 -1.260 5.637 -2.850 434 HG LEU 59 HG LEU 59 -3.049 6.788 -4.092 435 1HD1 LEU 59 1HD1 LEU 59 -1.972 7.569 -6.496 436 2HD1 LEU 59 2HD1 LEU 59 -2.473 8.655 -5.178 437 3HD1 LEU 59 3HD1 LEU 59 -0.769 8.160 -5.325 438 1HD2 LEU 59 1HD2 LEU 59 -1.205 4.831 -5.365 439 2HD2 LEU 59 2HD2 LEU 59 -2.921 4.678 -4.917 440 3HD2 LEU 59 3HD2 LEU 59 -2.462 5.562 -6.393 441 H ASP 60 H ASP 60 -3.054 9.071 -2.991 442 HA ASP 60 HA ASP 60 -3.920 9.486 -0.433 443 1HB ASP 60 1HB ASP 60 -6.276 9.524 -1.729 444 2HB ASP 60 2HB ASP 60 -5.089 10.796 -1.936 445 H TRP 61 H TRP 61 -5.495 8.360 0.908 446 HA TRP 61 HA TRP 61 -5.395 5.605 0.886 447 1HB TRP 61 1HB TRP 61 -6.101 6.142 2.914 448 2HB TRP 61 2HB TRP 61 -6.718 7.695 2.385 449 HD1 TRP 61 HD1 TRP 61 -9.198 7.798 3.197 450 HE1 TRP 61 HE1 TRP 61 -11.352 6.273 3.175 451 HE3 TRP 61 HE3 TRP 61 -6.931 3.720 1.174 452 HZ2 TRP 61 HZ2 TRP 61 -11.854 3.592 2.334 453 HZ3 TRP 61 HZ3 TRP 61 -8.325 1.690 0.785 454 HH2 TRP 61 HH2 TRP 61 -10.705 1.585 1.330 455 HA PRO 62 HA PRO 62 -9.558 5.714 -1.362 456 1HB PRO 62 1HB PRO 62 -10.680 8.087 -2.124 457 2HB PRO 62 2HB PRO 62 -11.088 7.271 -0.628 458 1HG PRO 62 1HG PRO 62 -9.409 9.670 -1.032 459 2HG PRO 62 2HG PRO 62 -10.168 9.097 0.439 460 1HD PRO 62 1HD PRO 62 -7.397 8.867 -0.264 461 2HD PRO 62 2HD PRO 62 -8.178 8.193 1.152 462 H PHE 63 H PHE 63 -8.758 4.650 -3.082 463 HA PHE 63 HA PHE 63 -8.221 6.393 -5.354 464 1HB PHE 63 1HB PHE 63 -6.259 4.588 -5.725 465 2HB PHE 63 2HB PHE 63 -5.976 5.978 -4.696 466 HD1 PHE 63 HD1 PHE 63 -4.387 5.127 -3.196 467 HD2 PHE 63 HD2 PHE 63 -7.983 2.973 -3.853 468 HE1 PHE 63 HE1 PHE 63 -3.821 3.600 -1.286 469 HE2 PHE 63 HE2 PHE 63 -7.417 1.445 -1.944 470 HZ PHE 63 HZ PHE 63 -5.343 1.777 -0.683 471 H ASP 64 H ASP 64 -7.481 4.517 -7.237 472 HA ASP 64 HA ASP 64 -9.660 2.587 -7.085 473 1HB ASP 64 1HB ASP 64 -8.663 3.904 -9.646 474 2HB ASP 64 2HB ASP 64 -10.098 2.917 -9.454 475 H ALA 65 H ALA 65 -9.113 1.121 -9.416 476 HA ALA 65 HA ALA 65 -6.699 -0.226 -8.673 477 1HB ALA 65 1HB ALA 65 -7.843 -1.118 -11.174 478 2HB ALA 65 2HB ALA 65 -7.809 -1.945 -9.598 479 3HB ALA 65 3HB ALA 65 -9.141 -0.831 -9.990 480 HA PRO 66 HA PRO 66 -5.420 1.562 -12.867 481 1HB PRO 66 1HB PRO 66 -6.963 3.470 -14.069 482 2HB PRO 66 2HB PRO 66 -7.062 1.767 -14.468 483 1HG PRO 66 1HG PRO 66 -8.936 3.410 -12.878 484 2HG PRO 66 2HG PRO 66 -9.212 1.855 -13.637 485 1HD PRO 66 1HD PRO 66 -8.755 2.346 -10.848 486 2HD PRO 66 2HD PRO 66 -8.915 0.783 -11.624 487 H ARG 67 H ARG 67 -6.793 3.530 -10.438 488 HA ARG 67 HA ARG 67 -5.101 5.726 -11.088 489 1HB ARG 67 1HB ARG 67 -7.482 5.479 -9.710 490 2HB ARG 67 2HB ARG 67 -6.353 5.590 -8.374 491 1HG ARG 67 1HG ARG 67 -5.742 7.774 -8.878 492 2HG ARG 67 2HG ARG 67 -5.948 7.554 -10.604 493 1HD ARG 67 1HD ARG 67 -8.540 7.226 -9.393 494 2HD ARG 67 2HD ARG 67 -7.823 8.665 -8.696 495 HE ARG 67 HE ARG 67 -8.770 8.376 -11.408 496 1HH1 ARG 67 2HH2 ARG 67 -6.241 9.926 -9.514 497 2HH1 ARG 67 1HH2 ARG 67 -6.014 11.221 -10.642 498 1HH2 ARG 67 2HH1 ARG 67 -8.470 10.084 -12.895 499 2HH2 ARG 67 1HH1 ARG 67 -7.290 11.312 -12.578 500 H LEU 68 H LEU 68 -5.129 2.897 -8.926 501 HA LEU 68 HA LEU 68 -2.958 3.864 -7.319 502 1HB LEU 68 1HB LEU 68 -4.811 2.396 -6.510 503 2HB LEU 68 2HB LEU 68 -4.158 1.098 -7.489 504 HG LEU 68 HG LEU 68 -1.979 1.990 -5.966 505 1HD1 LEU 68 1HD1 LEU 68 -4.395 2.712 -4.615 506 2HD1 LEU 68 2HD1 LEU 68 -3.613 1.381 -3.728 507 3HD1 LEU 68 3HD1 LEU 68 -2.708 2.876 -4.071 508 1HD2 LEU 68 1HD2 LEU 68 -3.822 -0.394 -5.689 509 2HD2 LEU 68 2HD2 LEU 68 -2.277 -0.295 -6.567 510 3HD2 LEU 68 3HD2 LEU 68 -2.297 -0.208 -4.789 511 H ARG 69 H ARG 69 -3.457 1.673 -10.118 512 HA ARG 69 HA ARG 69 -0.827 0.719 -10.080 513 1HB ARG 69 1HB ARG 69 -2.633 -0.512 -11.219 514 2HB ARG 69 2HB ARG 69 -2.925 0.834 -12.302 515 1HG ARG 69 1HG ARG 69 -1.495 -0.221 -13.731 516 2HG ARG 69 2HG ARG 69 -0.217 0.393 -12.701 517 1HD ARG 69 1HD ARG 69 -0.657 -1.776 -11.259 518 2HD ARG 69 2HD ARG 69 -1.479 -2.370 -12.688 519 HE ARG 69 HE ARG 69 0.608 -2.728 -13.655 520 1HH1 ARG 69 2HH2 ARG 69 0.930 -0.204 -11.225 521 2HH1 ARG 69 1HH2 ARG 69 2.644 -0.053 -11.425 522 1HH2 ARG 69 2HH1 ARG 69 2.869 -2.529 -13.920 523 2HH2 ARG 69 1HH1 ARG 69 3.754 -1.384 -12.969 524 H ALA 70 H ALA 70 -2.567 3.247 -12.023 525 HA ALA 70 HA ALA 70 -0.447 3.980 -13.644 526 1HB ALA 70 1HB ALA 70 -2.626 4.739 -14.192 527 2HB ALA 70 2HB ALA 70 -2.885 5.429 -12.571 528 3HB ALA 70 3HB ALA 70 -1.749 6.207 -13.699 529 H TRP 71 H TRP 71 -1.167 4.689 -10.238 530 HA TRP 71 HA TRP 71 0.670 6.860 -10.056 531 1HB TRP 71 1HB TRP 71 -1.200 6.751 -8.560 532 2HB TRP 71 2HB TRP 71 -0.733 5.160 -7.992 533 HD1 TRP 71 HD1 TRP 71 0.488 8.841 -7.756 534 HE1 TRP 71 HE1 TRP 71 1.952 9.206 -5.591 535 HE3 TRP 71 HE3 TRP 71 0.591 3.951 -6.364 536 HZ2 TRP 71 HZ2 TRP 71 2.966 7.449 -3.584 537 HZ3 TRP 71 HZ3 TRP 71 1.841 3.361 -4.289 538 HH2 TRP 71 HH2 TRP 71 3.001 5.017 -2.916 539 H LEU 72 H LEU 72 0.697 3.301 -9.564 540 HA LEU 72 HA LEU 72 3.203 3.174 -8.317 541 1HB LEU 72 1HB LEU 72 1.540 1.203 -9.870 542 2HB LEU 72 2HB LEU 72 3.104 0.777 -9.204 543 HG LEU 72 HG LEU 72 1.088 1.997 -7.362 544 1HD1 LEU 72 1HD1 LEU 72 -0.448 0.503 -8.130 545 2HD1 LEU 72 2HD1 LEU 72 0.783 -0.637 -8.726 546 3HD1 LEU 72 3HD1 LEU 72 0.417 -0.551 -6.986 547 1HD2 LEU 72 1HD2 LEU 72 2.155 0.618 -5.712 548 2HD2 LEU 72 2HD2 LEU 72 3.065 -0.263 -6.963 549 3HD2 LEU 72 3HD2 LEU 72 3.413 1.455 -6.652 550 H ASP 73 H ASP 73 2.173 3.001 -11.777 551 HA ASP 73 HA ASP 73 4.823 2.608 -12.656 552 1HB ASP 73 1HB ASP 73 2.167 2.664 -13.777 553 2HB ASP 73 2HB ASP 73 3.149 3.777 -14.708 554 H ALA 74 H ALA 74 3.173 5.257 -11.327 555 HA ALA 74 HA ALA 74 4.425 7.258 -13.026 556 1HB ALA 74 1HB ALA 74 2.104 7.611 -12.392 557 2HB ALA 74 2HB ALA 74 2.504 7.414 -10.669 558 3HB ALA 74 3HB ALA 74 3.114 8.823 -11.569 559 H ALA 75 H ALA 75 4.986 5.434 -10.118 560 HA ALA 75 HA ALA 75 6.336 7.192 -8.516 561 1HB ALA 75 1HB ALA 75 6.733 5.298 -7.356 562 2HB ALA 75 2HB ALA 75 5.869 4.440 -8.654 563 3HB ALA 75 3HB ALA 75 7.643 4.576 -8.705 564 HA PRO 76 HA PRO 76 10.190 6.418 -11.145 565 1HB PRO 76 1HB PRO 76 10.006 5.049 -13.503 566 2HB PRO 76 2HB PRO 76 10.473 4.296 -11.991 567 1HG PRO 76 1HG PRO 76 7.898 4.118 -13.432 568 2HG PRO 76 2HG PRO 76 8.530 3.067 -12.180 569 1HD PRO 76 1HD PRO 76 6.515 5.085 -11.871 570 2HD PRO 76 2HD PRO 76 7.230 4.114 -10.599 571 H HIS 77 H HIS 77 11.180 7.163 -13.383 572 HA HIS 77 HA HIS 77 11.257 8.773 -14.870 573 1HB HIS 77 1HB HIS 77 9.058 7.476 -15.564 574 2HB HIS 77 2HB HIS 77 8.272 8.965 -15.077 575 HD1 HIS 77 HD1 HIS 77 8.309 10.895 -16.719 576 HD2 HIS 77 HD2 HIS 77 11.000 7.842 -17.738 577 HE1 HIS 77 HE1 HIS 77 9.208 11.477 -19.035 578 H ALA 78 H ALA 78 10.483 9.152 -11.814 579 HA ALA 78 HA ALA 78 9.063 11.372 -11.333 580 1HB ALA 78 1HB ALA 78 11.235 11.775 -9.703 581 2HB ALA 78 2HB ALA 78 9.937 10.600 -9.383 582 3HB ALA 78 3HB ALA 78 11.448 10.067 -10.157 Start of MODEL 19 1 1H MET 1 1H MET 1 11.713 -0.320 -3.777 2 HA MET 1 HA MET 1 13.128 -2.506 -3.845 3 1HB MET 1 1HB MET 1 14.164 -1.827 -1.624 4 2HB MET 1 2HB MET 1 12.583 -1.939 -0.876 5 1HG MET 1 1HG MET 1 13.269 -4.088 -0.401 6 2HG MET 1 2HG MET 1 12.678 -4.410 -2.019 7 1HE MET 1 1HE MET 1 15.083 -5.741 -0.058 8 2HE MET 1 2HE MET 1 14.441 -6.562 -1.501 9 3HE MET 1 3HE MET 1 16.194 -6.307 -1.328 10 H ALA 2 H ALA 2 10.465 -1.179 -1.773 11 HA ALA 2 HA ALA 2 8.534 -2.689 -3.218 12 1HB ALA 2 1HB ALA 2 7.974 -4.334 -1.695 13 2HB ALA 2 2HB ALA 2 9.730 -4.253 -1.419 14 3HB ALA 2 3HB ALA 2 8.616 -3.422 -0.308 15 H LEU 3 H LEU 3 6.285 -2.371 -2.029 16 HA LEU 3 HA LEU 3 6.218 0.443 -1.339 17 1HB LEU 3 1HB LEU 3 4.155 -1.601 -2.121 18 2HB LEU 3 2HB LEU 3 3.696 -0.047 -1.455 19 HG LEU 3 HG LEU 3 5.607 0.208 -3.658 20 1HD1 LEU 3 1HD1 LEU 3 4.018 -1.910 -4.102 21 2HD1 LEU 3 2HD1 LEU 3 2.938 -0.613 -4.666 22 3HD1 LEU 3 3HD1 LEU 3 4.554 -0.802 -5.387 23 1HD2 LEU 3 1HD2 LEU 3 3.440 1.601 -4.420 24 2HD2 LEU 3 2HD2 LEU 3 3.108 1.473 -2.676 25 3HD2 LEU 3 3HD2 LEU 3 4.629 2.204 -3.241 26 H THR 4 H THR 4 4.177 0.793 0.367 27 HA THR 4 HA THR 4 4.314 -1.062 2.560 28 HB THR 4 HB THR 4 5.528 1.742 2.811 29 HG1 THR 4 HG1 THR 4 6.593 -0.983 3.041 30 1HG2 THR 4 1HG2 THR 4 6.135 1.055 5.073 31 2HG2 THR 4 2HG2 THR 4 4.382 0.794 4.904 32 3HG2 THR 4 3HG2 THR 4 5.502 -0.585 4.798 33 H LEU 5 H LEU 5 2.240 -1.261 3.100 34 HA LEU 5 HA LEU 5 0.601 1.167 2.931 35 1HB LEU 5 1HB LEU 5 -0.285 -0.392 1.455 36 2HB LEU 5 2HB LEU 5 0.024 -1.746 2.525 37 HG LEU 5 HG LEU 5 -1.740 -0.354 4.044 38 1HD1 LEU 5 1HD1 LEU 5 -1.966 1.345 2.198 39 2HD1 LEU 5 2HD1 LEU 5 -2.744 0.075 1.223 40 3HD1 LEU 5 3HD1 LEU 5 -3.488 0.606 2.751 41 1HD2 LEU 5 1HD2 LEU 5 -1.831 -2.742 3.482 42 2HD2 LEU 5 2HD2 LEU 5 -3.423 -1.961 3.327 43 3HD2 LEU 5 3HD2 LEU 5 -2.471 -2.336 1.871 44 H TYR 6 H TYR 6 0.045 2.119 4.810 45 HA TYR 6 HA TYR 6 0.665 0.781 7.275 46 1HB TYR 6 1HB TYR 6 -0.491 3.453 6.310 47 2HB TYR 6 2HB TYR 6 -0.471 3.085 8.023 48 HD1 TYR 6 HD1 TYR 6 1.914 2.278 8.945 49 HD2 TYR 6 HD2 TYR 6 1.308 4.620 5.416 50 HE1 TYR 6 HE1 TYR 6 4.303 3.134 9.094 51 HE2 TYR 6 HE2 TYR 6 3.699 5.468 5.577 52 HH TYR 6 HH TYR 6 5.677 5.099 6.526 53 H GLN 7 H GLN 7 -0.737 -0.124 8.752 54 HA GLN 7 HA GLN 7 -3.565 0.108 8.088 55 1HB GLN 7 1HB GLN 7 -3.881 -2.266 8.687 56 2HB GLN 7 2HB GLN 7 -2.751 -2.105 7.357 57 1HG GLN 7 1HG GLN 7 -0.845 -2.237 9.029 58 2HG GLN 7 2HG GLN 7 -2.023 -2.536 10.292 59 1HE2 GLN 7 1HE2 GLN 7 0.151 -4.200 9.281 60 2HE2 GLN 7 2HE2 GLN 7 -0.540 -5.706 8.777 61 H ARG 8 H ARG 8 -4.953 -0.706 10.086 62 HA ARG 8 HA ARG 8 -3.597 0.263 12.474 63 1HB ARG 8 1HB ARG 8 -5.804 1.192 13.209 64 2HB ARG 8 2HB ARG 8 -5.262 1.918 11.709 65 1HG ARG 8 1HG ARG 8 -6.777 0.562 10.391 66 2HG ARG 8 2HG ARG 8 -7.133 -0.487 11.749 67 1HD ARG 8 1HD ARG 8 -8.442 1.174 12.856 68 2HD ARG 8 2HD ARG 8 -7.737 2.484 11.930 69 HE ARG 8 HE ARG 8 -8.991 0.795 10.049 70 1HH1 ARG 8 2HH2 ARG 8 -9.953 2.755 12.808 71 2HH1 ARG 8 1HH2 ARG 8 -11.544 3.062 12.198 72 1HH2 ARG 8 2HH1 ARG 8 -11.090 1.201 9.242 73 2HH2 ARG 8 1HH1 ARG 8 -12.195 2.172 10.156 74 H ASP 9 H ASP 9 -5.321 -0.380 14.478 75 HA ASP 9 HA ASP 9 -5.005 -3.082 14.760 76 1HB ASP 9 1HB ASP 9 -5.332 -1.702 16.706 77 2HB ASP 9 2HB ASP 9 -6.846 -1.064 16.097 78 H ASP 10 H ASP 10 -7.982 -1.117 14.011 79 HA ASP 10 HA ASP 10 -9.662 -3.311 13.762 80 1HB ASP 10 1HB ASP 10 -10.026 -0.626 13.847 81 2HB ASP 10 2HB ASP 10 -10.137 -0.838 12.111 82 H CYS 11 H CYS 11 -10.970 -3.068 11.269 83 HA CYS 11 HA CYS 11 -9.075 -3.033 9.145 84 1HB CYS 11 1HB CYS 11 -9.168 -5.331 8.474 85 2HB CYS 11 2HB CYS 11 -8.626 -5.282 10.139 86 HG CYS 11 HG CYS 11 -11.323 -5.370 10.958 87 H HIS 12 H HIS 12 -10.236 -2.207 7.433 88 HA HIS 12 HA HIS 12 -12.687 -3.182 6.617 89 1HB HIS 12 1HB HIS 12 -13.177 -1.854 8.884 90 2HB HIS 12 2HB HIS 12 -13.189 -0.483 7.793 91 HD1 HIS 12 HD1 HIS 12 -14.520 -2.106 5.342 92 HD2 HIS 12 HD2 HIS 12 -15.938 -1.902 9.285 93 HE1 HIS 12 HE1 HIS 12 -17.019 -2.612 5.231 94 H LEU 13 H LEU 13 -10.997 0.014 7.021 95 HA LEU 13 HA LEU 13 -11.533 0.701 4.300 96 1HB LEU 13 1HB LEU 13 -11.293 2.213 6.382 97 2HB LEU 13 2HB LEU 13 -9.568 2.069 6.114 98 HG LEU 13 HG LEU 13 -9.875 2.985 3.817 99 1HD1 LEU 13 1HD1 LEU 13 -12.749 3.235 4.719 100 2HD1 LEU 13 2HD1 LEU 13 -12.059 4.196 3.388 101 3HD1 LEU 13 3HD1 LEU 13 -12.105 2.420 3.273 102 1HD2 LEU 13 1HD2 LEU 13 -9.720 4.315 6.219 103 2HD2 LEU 13 2HD2 LEU 13 -9.501 5.040 4.608 104 3HD2 LEU 13 3HD2 LEU 13 -11.086 5.123 5.414 105 H CYS 14 H CYS 14 -8.847 -0.724 6.178 106 HA CYS 14 HA CYS 14 -6.938 -0.447 4.128 107 1HB CYS 14 1HB CYS 14 -6.974 -2.445 6.413 108 2HB CYS 14 2HB CYS 14 -5.583 -1.991 5.449 109 HG CYS 14 HG CYS 14 -6.929 -0.670 7.985 110 H ASP 15 H ASP 15 -9.596 -2.668 4.848 111 HA ASP 15 HA ASP 15 -8.712 -4.879 3.466 112 1HB ASP 15 1HB ASP 15 -11.561 -3.814 3.758 113 2HB ASP 15 2HB ASP 15 -11.149 -5.453 3.294 114 H GLN 16 H GLN 16 -10.979 -2.203 2.448 115 HA GLN 16 HA GLN 16 -11.173 -3.040 -0.182 116 1HB GLN 16 1HB GLN 16 -11.756 -0.499 1.319 117 2HB GLN 16 2HB GLN 16 -11.742 -0.420 -0.432 118 1HG GLN 16 1HG GLN 16 -13.219 -2.718 -0.037 119 2HG GLN 16 2HG GLN 16 -13.661 -1.800 1.389 120 1HE2 GLN 16 1HE2 GLN 16 -14.840 0.051 1.232 121 2HE2 GLN 16 2HE2 GLN 16 -15.597 0.608 -0.224 122 H ALA 17 H ALA 17 -8.638 -1.363 1.555 123 HA ALA 17 HA ALA 17 -7.498 -0.059 -0.701 124 1HB ALA 17 1HB ALA 17 -5.571 0.241 0.871 125 2HB ALA 17 2HB ALA 17 -7.127 0.759 1.561 126 3HB ALA 17 3HB ALA 17 -6.414 -0.798 2.046 127 H VAL 18 H VAL 18 -6.772 -3.096 1.147 128 HA VAL 18 HA VAL 18 -4.593 -3.870 -0.381 129 HB VAL 18 HB VAL 18 -6.657 -5.499 1.113 130 1HG1 VAL 18 1HG1 VAL 18 -5.298 -6.790 -0.588 131 2HG1 VAL 18 2HG1 VAL 18 -3.850 -6.358 0.354 132 3HG1 VAL 18 3HG1 VAL 18 -5.136 -7.339 1.098 133 1HG2 VAL 18 1HG2 VAL 18 -5.694 -4.753 2.979 134 2HG2 VAL 18 2HG2 VAL 18 -4.111 -5.344 2.419 135 3HG2 VAL 18 3HG2 VAL 18 -4.642 -3.695 2.009 136 H GLU 19 H GLU 19 -8.119 -4.217 -0.907 137 HA GLU 19 HA GLU 19 -7.974 -6.073 -2.941 138 1HB GLU 19 1HB GLU 19 -9.973 -4.559 -1.646 139 2HB GLU 19 2HB GLU 19 -10.117 -4.111 -3.333 140 1HG GLU 19 1HG GLU 19 -10.755 -6.239 -3.998 141 2HG GLU 19 2HG GLU 19 -9.754 -7.035 -2.800 142 H ALA 20 H ALA 20 -8.036 -2.445 -3.063 143 HA ALA 20 HA ALA 20 -7.967 -2.190 -5.815 144 1HB ALA 20 1HB ALA 20 -6.504 -0.315 -3.951 145 2HB ALA 20 2HB ALA 20 -7.487 0.065 -5.386 146 3HB ALA 20 3HB ALA 20 -8.276 -0.459 -3.879 147 H LEU 21 H LEU 21 -5.329 -2.693 -3.415 148 HA LEU 21 HA LEU 21 -3.206 -2.281 -5.166 149 1HB LEU 21 1HB LEU 21 -3.658 -3.377 -2.501 150 2HB LEU 21 2HB LEU 21 -2.353 -4.186 -3.344 151 HG LEU 21 HG LEU 21 -2.386 -1.191 -3.324 152 1HD1 LEU 21 1HD1 LEU 21 -2.852 -2.202 -0.958 153 2HD1 LEU 21 2HD1 LEU 21 -1.126 -2.633 -1.014 154 3HD1 LEU 21 3HD1 LEU 21 -1.624 -0.930 -1.165 155 1HD2 LEU 21 1HD2 LEU 21 0.157 -1.833 -2.950 156 2HD2 LEU 21 2HD2 LEU 21 -0.384 -3.386 -3.631 157 3HD2 LEU 21 3HD2 LEU 21 -0.598 -1.884 -4.562 158 H ALA 22 H ALA 22 -4.761 -5.401 -4.128 159 HA ALA 22 HA ALA 22 -3.321 -7.022 -5.842 160 1HB ALA 22 1HB ALA 22 -5.422 -7.249 -3.972 161 2HB ALA 22 2HB ALA 22 -6.063 -7.925 -5.489 162 3HB ALA 22 3HB ALA 22 -4.561 -8.575 -4.790 163 H GLN 23 H GLN 23 -6.428 -5.239 -6.343 164 HA GLN 23 HA GLN 23 -6.986 -6.274 -8.823 165 1HB GLN 23 1HB GLN 23 -7.689 -3.725 -7.375 166 2HB GLN 23 2HB GLN 23 -8.111 -3.858 -9.071 167 1HG GLN 23 1HG GLN 23 -8.879 -6.343 -7.936 168 2HG GLN 23 2HG GLN 23 -9.354 -5.143 -6.750 169 1HE2 GLN 23 1HE2 GLN 23 -11.526 -5.557 -7.167 170 2HE2 GLN 23 2HE2 GLN 23 -12.345 -4.953 -8.568 171 H ALA 24 H ALA 24 -4.938 -3.469 -7.851 172 HA ALA 24 HA ALA 24 -4.387 -2.756 -10.568 173 1HB ALA 24 1HB ALA 24 -2.681 -1.853 -8.275 174 2HB ALA 24 2HB ALA 24 -3.344 -0.923 -9.640 175 3HB ALA 24 3HB ALA 24 -4.394 -1.371 -8.275 176 H ARG 25 H ARG 25 -3.555 -5.413 -8.750 177 HA ARG 25 HA ARG 25 -1.932 -6.848 -8.738 178 1HB ARG 25 1HB ARG 25 -1.496 -5.770 -11.568 179 2HB ARG 25 2HB ARG 25 -0.762 -7.245 -10.972 180 1HG ARG 25 1HG ARG 25 -2.762 -8.424 -10.988 181 2HG ARG 25 2HG ARG 25 -3.728 -7.014 -10.599 182 1HD ARG 25 1HD ARG 25 -2.848 -6.264 -13.072 183 2HD ARG 25 2HD ARG 25 -2.801 -8.003 -13.278 184 HE ARG 25 HE ARG 25 -5.294 -7.248 -12.047 185 1HH1 ARG 25 2HH2 ARG 25 -3.619 -7.150 -15.141 186 2HH1 ARG 25 1HH2 ARG 25 -5.078 -7.151 -16.075 187 1HH2 ARG 25 2HH1 ARG 25 -7.218 -7.250 -13.280 188 2HH2 ARG 25 1HH1 ARG 25 -7.139 -7.208 -15.009 189 H ALA 26 H ALA 26 -1.214 -4.377 -7.516 190 HA ALA 26 HA ALA 26 1.083 -3.162 -8.380 191 1HB ALA 26 1HB ALA 26 0.241 -3.816 -5.527 192 2HB ALA 26 2HB ALA 26 1.383 -2.540 -6.016 193 3HB ALA 26 3HB ALA 26 -0.331 -2.429 -6.485 194 H GLY 27 H GLY 27 0.858 -5.927 -6.021 195 1HA GLY 27 1HA GLY 27 2.431 -7.787 -6.814 196 2HA GLY 27 2HA GLY 27 3.668 -6.556 -6.650 197 H ALA 28 H ALA 28 4.830 -7.394 -4.903 198 HA ALA 28 HA ALA 28 3.309 -8.032 -2.492 199 1HB ALA 28 1HB ALA 28 5.237 -9.246 -1.803 200 2HB ALA 28 2HB ALA 28 5.058 -9.594 -3.540 201 3HB ALA 28 3HB ALA 28 6.277 -8.420 -2.989 202 H PHE 29 H PHE 29 4.022 -7.136 -0.405 203 HA PHE 29 HA PHE 29 5.834 -4.943 -0.406 204 1HB PHE 29 1HB PHE 29 3.961 -3.323 0.320 205 2HB PHE 29 2HB PHE 29 3.899 -3.779 -1.371 206 HD1 PHE 29 HD1 PHE 29 2.058 -5.018 -2.247 207 HD2 PHE 29 HD2 PHE 29 2.361 -4.341 1.931 208 HE1 PHE 29 HE1 PHE 29 -0.307 -5.803 -1.949 209 HE2 PHE 29 HE2 PHE 29 -0.004 -5.127 2.230 210 HZ PHE 29 HZ PHE 29 -1.310 -5.848 0.286 211 H PHE 30 H PHE 30 5.423 -3.683 1.882 212 HA PHE 30 HA PHE 30 5.037 -5.847 3.828 213 1HB PHE 30 1HB PHE 30 6.737 -3.280 3.847 214 2HB PHE 30 2HB PHE 30 6.657 -4.405 5.188 215 HD1 PHE 30 HD1 PHE 30 7.935 -6.416 5.186 216 HD2 PHE 30 HD2 PHE 30 7.802 -3.989 1.707 217 HE1 PHE 30 HE1 PHE 30 9.833 -7.728 4.198 218 HE2 PHE 30 HE2 PHE 30 9.700 -5.301 0.720 219 HZ PHE 30 HZ PHE 30 10.693 -7.154 1.977 220 H SER 31 H SER 31 3.686 -5.508 5.592 221 HA SER 31 HA SER 31 2.220 -3.000 5.478 222 1HB SER 31 1HB SER 31 1.532 -5.813 6.263 223 2HB SER 31 2HB SER 31 0.724 -4.533 7.147 224 HG SER 31 HG SER 31 -0.607 -4.830 5.415 225 H VAL 32 H VAL 32 2.199 -1.595 7.249 226 HA VAL 32 HA VAL 32 3.637 -2.539 9.632 227 HB VAL 32 HB VAL 32 3.720 0.181 8.312 228 1HG1 VAL 32 1HG1 VAL 32 3.807 -0.031 10.924 229 2HG1 VAL 32 2HG1 VAL 32 5.457 -0.630 10.630 230 3HG1 VAL 32 3HG1 VAL 32 4.988 0.995 10.075 231 1HG2 VAL 32 1HG2 VAL 32 6.265 -0.524 8.307 232 2HG2 VAL 32 2HG2 VAL 32 5.586 -2.169 8.349 233 3HG2 VAL 32 3HG2 VAL 32 5.165 -1.065 7.017 234 H PHE 33 H PHE 33 2.464 -2.459 11.482 235 HA PHE 33 HA PHE 33 -0.161 -1.286 11.338 236 1HB PHE 33 1HB PHE 33 1.427 -2.673 13.582 237 2HB PHE 33 2HB PHE 33 -0.300 -2.377 13.621 238 HD1 PHE 33 HD1 PHE 33 -1.827 -3.738 12.322 239 HD2 PHE 33 HD2 PHE 33 2.359 -4.414 12.142 240 HE1 PHE 33 HE1 PHE 33 -2.233 -5.960 11.228 241 HE2 PHE 33 HE2 PHE 33 1.953 -6.636 11.048 242 HZ PHE 33 HZ PHE 33 -0.338 -7.383 10.604 243 H ILE 34 H ILE 34 -0.732 0.704 12.088 244 HA ILE 34 HA ILE 34 1.311 2.321 13.295 245 HB ILE 34 HB ILE 34 -0.223 4.122 13.022 246 1HG1 ILE 34 1HG1 ILE 34 -2.432 2.405 11.975 247 2HG1 ILE 34 2HG1 ILE 34 -2.218 2.480 13.713 248 1HG2 ILE 34 1HG2 ILE 34 -0.933 2.793 10.509 249 2HG2 ILE 34 2HG2 ILE 34 0.068 4.234 10.810 250 3HG2 ILE 34 3HG2 ILE 34 0.781 2.609 10.954 251 1HD1 ILE 34 1HD1 ILE 34 -3.782 4.242 12.677 252 2HD1 ILE 34 2HD1 ILE 34 -2.516 4.862 13.764 253 3HD1 ILE 34 3HD1 ILE 34 -2.318 4.995 12.000 254 H ASP 35 H ASP 35 -1.091 0.106 14.372 255 HA ASP 35 HA ASP 35 -2.059 1.273 16.619 256 1HB ASP 35 1HB ASP 35 -2.727 -0.965 15.756 257 2HB ASP 35 2HB ASP 35 -1.167 -1.621 16.212 258 H ASP 36 H ASP 36 -1.275 1.488 18.803 259 HA ASP 36 HA ASP 36 0.118 1.325 20.501 260 1HB ASP 36 1HB ASP 36 1.048 -0.807 19.074 261 2HB ASP 36 2HB ASP 36 2.446 0.241 18.943 262 H ASP 37 H ASP 37 1.850 1.835 17.334 263 HA ASP 37 HA ASP 37 3.632 3.709 18.357 264 1HB ASP 37 1HB ASP 37 2.756 2.735 15.674 265 2HB ASP 37 2HB ASP 37 3.438 4.349 15.677 266 H ALA 38 H ALA 38 2.676 5.517 19.399 267 HA ALA 38 HA ALA 38 0.300 6.725 18.474 268 1HB ALA 38 1HB ALA 38 1.583 8.597 20.061 269 2HB ALA 38 2HB ALA 38 0.525 7.294 20.653 270 3HB ALA 38 3HB ALA 38 2.289 7.063 20.623 271 H ALA 39 H ALA 39 3.759 7.123 17.764 272 HA ALA 39 HA ALA 39 3.620 9.693 16.664 273 1HB ALA 39 1HB ALA 39 5.473 7.328 16.191 274 2HB ALA 39 2HB ALA 39 5.755 8.957 15.530 275 3HB ALA 39 3HB ALA 39 5.731 8.703 17.292 276 H LEU 40 H LEU 40 3.336 6.392 15.192 277 HA LEU 40 HA LEU 40 2.891 7.417 12.592 278 1HB LEU 40 1HB LEU 40 2.230 4.695 13.723 279 2HB LEU 40 2HB LEU 40 2.350 5.122 12.027 280 HG LEU 40 HG LEU 40 4.667 5.288 13.971 281 1HD1 LEU 40 1HD1 LEU 40 3.650 2.956 13.552 282 2HD1 LEU 40 2HD1 LEU 40 4.321 3.118 11.911 283 3HD1 LEU 40 3HD1 LEU 40 5.402 3.174 13.324 284 1HD2 LEU 40 1HD2 LEU 40 4.527 6.651 11.722 285 2HD2 LEU 40 2HD2 LEU 40 6.030 5.834 12.213 286 3HD2 LEU 40 3HD2 LEU 40 4.963 5.084 11.001 287 H GLU 41 H GLU 41 0.849 6.665 15.408 288 HA GLU 41 HA GLU 41 -1.562 6.601 14.016 289 1HB GLU 41 1HB GLU 41 -0.844 7.172 16.914 290 2HB GLU 41 2HB GLU 41 -2.508 7.175 16.364 291 1HG GLU 41 1HG GLU 41 -1.071 4.800 15.396 292 2HG GLU 41 2HG GLU 41 -0.994 4.921 17.142 293 H SER 42 H SER 42 0.222 9.253 15.714 294 HA SER 42 HA SER 42 -1.785 11.148 15.152 295 1HB SER 42 1HB SER 42 0.536 11.009 16.753 296 2HB SER 42 2HB SER 42 0.887 12.277 15.596 297 HG SER 42 HG SER 42 -1.587 12.812 16.307 298 H ALA 43 H ALA 43 1.054 9.867 13.470 299 HA ALA 43 HA ALA 43 1.360 12.048 11.677 300 1HB ALA 43 1HB ALA 43 2.493 9.351 12.135 301 2HB ALA 43 2HB ALA 43 2.479 9.869 10.432 302 3HB ALA 43 3HB ALA 43 3.298 10.865 11.659 303 H TYR 44 H TYR 44 -0.373 8.882 11.628 304 HA TYR 44 HA TYR 44 -1.656 9.773 9.134 305 1HB TYR 44 1HB TYR 44 -1.186 7.011 10.422 306 2HB TYR 44 2HB TYR 44 -2.016 7.245 8.896 307 HD1 TYR 44 HD1 TYR 44 0.945 6.148 10.181 308 HD2 TYR 44 HD2 TYR 44 -0.478 8.941 7.269 309 HE1 TYR 44 HE1 TYR 44 3.161 6.000 8.945 310 HE2 TYR 44 HE2 TYR 44 1.744 8.784 6.043 311 HH TYR 44 HH TYR 44 4.081 8.222 6.622 312 H GLY 45 H GLY 45 -2.338 7.499 11.893 313 1HA GLY 45 1HA GLY 45 -4.185 7.195 13.134 314 2HA GLY 45 2HA GLY 45 -4.523 8.901 12.916 315 H LEU 46 H LEU 46 -5.765 9.612 11.002 316 HA LEU 46 HA LEU 46 -7.768 7.648 10.346 317 1HB LEU 46 1HB LEU 46 -7.515 10.548 10.404 318 2HB LEU 46 2HB LEU 46 -8.304 9.984 8.944 319 HG LEU 46 HG LEU 46 -9.933 10.526 10.664 320 1HD1 LEU 46 1HD1 LEU 46 -11.268 8.920 9.907 321 2HD1 LEU 46 2HD1 LEU 46 -9.831 8.155 9.186 322 3HD1 LEU 46 3HD1 LEU 46 -10.380 7.667 10.808 323 1HD2 LEU 46 1HD2 LEU 46 -8.424 10.052 12.605 324 2HD2 LEU 46 2HD2 LEU 46 -10.079 9.420 12.777 325 3HD2 LEU 46 3HD2 LEU 46 -8.744 8.318 12.360 326 H ARG 47 H ARG 47 -4.874 9.082 8.939 327 HA ARG 47 HA ARG 47 -5.636 8.208 6.316 328 1HB ARG 47 1HB ARG 47 -3.117 9.555 7.407 329 2HB ARG 47 2HB ARG 47 -3.305 9.112 5.722 330 1HG ARG 47 1HG ARG 47 -4.424 11.045 5.347 331 2HG ARG 47 2HG ARG 47 -5.690 10.515 6.437 332 1HD ARG 47 1HD ARG 47 -4.936 11.832 8.174 333 2HD ARG 47 2HD ARG 47 -3.249 11.529 7.812 334 HE ARG 47 HE ARG 47 -4.151 13.105 5.683 335 1HH1 ARG 47 2HH2 ARG 47 -4.014 13.445 9.183 336 2HH1 ARG 47 1HH2 ARG 47 -3.871 15.170 9.138 337 1HH2 ARG 47 2HH1 ARG 47 -3.962 15.381 5.623 338 2HH2 ARG 47 1HH1 ARG 47 -3.841 16.279 7.099 339 H VAL 48 H VAL 48 -5.449 6.126 8.326 340 HA VAL 48 HA VAL 48 -2.985 4.863 8.432 341 HB VAL 48 HB VAL 48 -5.809 4.224 8.932 342 1HG1 VAL 48 1HG1 VAL 48 -5.543 2.319 7.588 343 2HG1 VAL 48 2HG1 VAL 48 -3.854 2.079 8.097 344 3HG1 VAL 48 3HG1 VAL 48 -5.183 1.739 9.232 345 1HG2 VAL 48 1HG2 VAL 48 -3.506 4.699 10.419 346 2HG2 VAL 48 2HG2 VAL 48 -5.066 4.106 11.041 347 3HG2 VAL 48 3HG2 VAL 48 -3.783 2.950 10.608 348 HA PRO 49 HA PRO 49 -4.329 2.667 4.461 349 1HB PRO 49 1HB PRO 49 -6.465 3.607 3.038 350 2HB PRO 49 2HB PRO 49 -6.582 2.283 4.180 351 1HG PRO 49 1HG PRO 49 -7.483 5.081 4.488 352 2HG PRO 49 2HG PRO 49 -7.956 3.668 5.410 353 1HD PRO 49 1HD PRO 49 -6.141 5.728 6.239 354 2HD PRO 49 2HD PRO 49 -6.525 4.257 7.110 355 H VAL 50 H VAL 50 -2.277 3.921 4.324 356 HA VAL 50 HA VAL 50 -2.574 5.768 2.057 357 HB VAL 50 HB VAL 50 -0.965 5.966 4.581 358 1HG1 VAL 50 1HG1 VAL 50 0.721 6.170 2.865 359 2HG1 VAL 50 2HG1 VAL 50 -0.298 7.291 1.932 360 3HG1 VAL 50 3HG1 VAL 50 0.364 7.791 3.508 361 1HG2 VAL 50 1HG2 VAL 50 -1.864 8.180 4.698 362 2HG2 VAL 50 2HG2 VAL 50 -2.471 8.091 3.027 363 3HG2 VAL 50 3HG2 VAL 50 -3.210 7.086 4.297 364 H LEU 51 H LEU 51 -1.513 5.139 0.245 365 HA LEU 51 HA LEU 51 0.304 2.877 0.519 366 1HB LEU 51 1HB LEU 51 -1.691 2.898 -1.041 367 2HB LEU 51 2HB LEU 51 -0.828 4.082 -2.003 368 HG LEU 51 HG LEU 51 0.516 2.546 -2.940 369 1HD1 LEU 51 1HD1 LEU 51 1.846 2.201 -0.948 370 2HD1 LEU 51 2HD1 LEU 51 0.631 1.078 -0.291 371 3HD1 LEU 51 3HD1 LEU 51 1.549 0.640 -1.752 372 1HD2 LEU 51 1HD2 LEU 51 -1.232 1.319 -3.644 373 2HD2 LEU 51 2HD2 LEU 51 -0.569 0.092 -2.537 374 3HD2 LEU 51 3HD2 LEU 51 -1.908 1.139 -2.007 375 H ARG 52 H ARG 52 2.433 3.282 0.729 376 HA ARG 52 HA ARG 52 3.388 5.712 -0.558 377 1HB ARG 52 1HB ARG 52 5.133 5.828 1.164 378 2HB ARG 52 2HB ARG 52 3.576 5.678 1.955 379 1HG ARG 52 1HG ARG 52 4.177 3.719 2.935 380 2HG ARG 52 2HG ARG 52 4.645 3.024 1.396 381 1HD ARG 52 1HD ARG 52 6.867 3.399 1.778 382 2HD ARG 52 2HD ARG 52 6.586 5.046 2.307 383 HE ARG 52 HE ARG 52 5.680 3.136 4.299 384 1HH1 ARG 52 2HH2 ARG 52 8.554 4.712 3.018 385 2HH1 ARG 52 1HH2 ARG 52 9.455 4.549 4.489 386 1HH2 ARG 52 2HH1 ARG 52 6.868 2.921 6.240 387 2HH2 ARG 52 1HH1 ARG 52 8.489 3.523 6.333 388 H ASP 53 H ASP 53 5.812 5.551 -1.225 389 HA ASP 53 HA ASP 53 6.318 2.828 -2.140 390 1HB ASP 53 1HB ASP 53 6.194 5.391 -3.580 391 2HB ASP 53 2HB ASP 53 7.738 4.600 -3.825 392 HA PRO 54 HA PRO 54 10.355 3.404 -0.514 393 1HB PRO 54 1HB PRO 54 12.046 2.260 -2.331 394 2HB PRO 54 2HB PRO 54 11.091 1.331 -1.192 395 1HG PRO 54 1HG PRO 54 10.665 1.710 -4.093 396 2HG PRO 54 2HG PRO 54 10.001 0.479 -3.038 397 1HD PRO 54 1HD PRO 54 8.637 2.791 -4.047 398 2HD PRO 54 2HD PRO 54 8.011 1.622 -2.900 399 H MET 55 H MET 55 9.873 4.670 -3.684 400 HA MET 55 HA MET 55 12.256 6.080 -3.840 401 1HB MET 55 1HB MET 55 9.608 5.994 -5.184 402 2HB MET 55 2HB MET 55 10.312 7.598 -5.214 403 1HG MET 55 1HG MET 55 12.126 5.296 -5.908 404 2HG MET 55 2HG MET 55 10.898 5.725 -7.082 405 1HE MET 55 1HE MET 55 11.899 8.966 -8.558 406 2HE MET 55 2HE MET 55 11.767 7.257 -9.040 407 3HE MET 55 3HE MET 55 10.507 7.995 -8.021 408 H GLY 56 H GLY 56 8.963 7.072 -2.682 409 1HA GLY 56 1HA GLY 56 9.248 8.435 -0.547 410 2HA GLY 56 2HA GLY 56 10.175 9.519 -1.565 411 H ARG 57 H ARG 57 7.170 7.621 -2.299 412 HA ARG 57 HA ARG 57 5.790 10.160 -2.526 413 1HB ARG 57 1HB ARG 57 5.562 7.927 -4.604 414 2HB ARG 57 2HB ARG 57 4.782 9.495 -4.675 415 1HG ARG 57 1HG ARG 57 7.484 10.159 -4.340 416 2HG ARG 57 2HG ARG 57 7.556 8.745 -5.374 417 1HD ARG 57 1HD ARG 57 5.694 9.921 -6.792 418 2HD ARG 57 2HD ARG 57 6.108 11.371 -5.898 419 HE ARG 57 HE ARG 57 7.768 10.021 -7.917 420 1HH1 ARG 57 2HH2 ARG 57 7.710 12.334 -5.266 421 2HH1 ARG 57 1HH2 ARG 57 9.158 13.141 -5.769 422 1HH2 ARG 57 2HH1 ARG 57 9.678 11.085 -8.582 423 2HH2 ARG 57 1HH1 ARG 57 10.285 12.426 -7.668 424 H GLU 58 H GLU 58 3.334 9.843 -2.566 425 HA GLU 58 HA GLU 58 2.555 7.261 -1.505 426 1HB GLU 58 1HB GLU 58 1.043 8.717 0.133 427 2HB GLU 58 2HB GLU 58 2.685 8.287 0.569 428 1HG GLU 58 1HG GLU 58 2.470 10.647 0.999 429 2HG GLU 58 2HG GLU 58 3.455 10.499 -0.443 430 H LEU 59 H LEU 59 0.067 7.058 -1.459 431 HA LEU 59 HA LEU 59 -1.105 8.755 -3.546 432 1HB LEU 59 1HB LEU 59 -0.337 6.477 -4.344 433 2HB LEU 59 2HB LEU 59 -1.565 5.785 -3.303 434 HG LEU 59 HG LEU 59 -3.313 7.018 -4.548 435 1HD1 LEU 59 1HD1 LEU 59 -2.137 8.943 -5.325 436 2HD1 LEU 59 2HD1 LEU 59 -0.983 7.945 -6.242 437 3HD1 LEU 59 3HD1 LEU 59 -2.686 8.033 -6.753 438 1HD2 LEU 59 1HD2 LEU 59 -2.290 5.737 -6.865 439 2HD2 LEU 59 2HD2 LEU 59 -1.751 4.800 -5.452 440 3HD2 LEU 59 3HD2 LEU 59 -3.484 5.129 -5.693 441 H ASP 60 H ASP 60 -3.352 9.201 -3.312 442 HA ASP 60 HA ASP 60 -4.168 9.524 -0.722 443 1HB ASP 60 1HB ASP 60 -6.182 9.161 -2.953 444 2HB ASP 60 2HB ASP 60 -6.209 10.318 -1.637 445 H TRP 61 H TRP 61 -5.924 8.417 0.501 446 HA TRP 61 HA TRP 61 -5.735 5.665 0.523 447 1HB TRP 61 1HB TRP 61 -6.604 6.217 2.485 448 2HB TRP 61 2HB TRP 61 -7.251 7.728 1.879 449 HD1 TRP 61 HD1 TRP 61 -9.786 7.722 2.509 450 HE1 TRP 61 HE1 TRP 61 -11.858 6.095 2.355 451 HE3 TRP 61 HE3 TRP 61 -7.186 3.732 0.726 452 HZ2 TRP 61 HZ2 TRP 61 -12.170 3.383 1.522 453 HZ3 TRP 61 HZ3 TRP 61 -8.451 1.633 0.269 454 HH2 TRP 61 HH2 TRP 61 -10.857 1.420 0.639 455 HA PRO 62 HA PRO 62 -9.696 5.681 -2.080 456 1HB PRO 62 1HB PRO 62 -10.689 8.023 -3.078 457 2HB PRO 62 2HB PRO 62 -11.259 7.299 -1.587 458 1HG PRO 62 1HG PRO 62 -9.499 9.646 -1.954 459 2HG PRO 62 2HG PRO 62 -10.410 9.168 -0.535 460 1HD PRO 62 1HD PRO 62 -7.589 8.857 -0.947 461 2HD PRO 62 2HD PRO 62 -8.519 8.276 0.419 462 H PHE 63 H PHE 63 -9.005 4.546 -3.774 463 HA PHE 63 HA PHE 63 -8.150 6.132 -6.034 464 1HB PHE 63 1HB PHE 63 -6.185 4.266 -6.110 465 2HB PHE 63 2HB PHE 63 -5.960 5.759 -5.221 466 HD1 PHE 63 HD1 PHE 63 -4.480 5.060 -3.538 467 HD2 PHE 63 HD2 PHE 63 -8.062 2.880 -4.192 468 HE1 PHE 63 HE1 PHE 63 -4.066 3.747 -1.438 469 HE2 PHE 63 HE2 PHE 63 -7.648 1.568 -2.093 470 HZ PHE 63 HZ PHE 63 -5.655 2.017 -0.741 471 H ASP 64 H ASP 64 -7.253 4.134 -7.724 472 HA ASP 64 HA ASP 64 -9.357 2.132 -7.588 473 1HB ASP 64 1HB ASP 64 -8.487 3.433 -10.196 474 2HB ASP 64 2HB ASP 64 -9.890 2.420 -9.922 475 H ALA 65 H ALA 65 -8.791 0.473 -9.622 476 HA ALA 65 HA ALA 65 -6.248 -0.586 -8.983 477 1HB ALA 65 1HB ALA 65 -7.074 -2.434 -10.011 478 2HB ALA 65 2HB ALA 65 -8.615 -1.544 -10.001 479 3HB ALA 65 3HB ALA 65 -7.585 -1.522 -11.452 480 HA PRO 66 HA PRO 66 -5.179 1.119 -13.269 481 1HB PRO 66 1HB PRO 66 -6.874 2.871 -14.505 482 2HB PRO 66 2HB PRO 66 -6.863 1.151 -14.839 483 1HG PRO 66 1HG PRO 66 -8.813 2.721 -13.268 484 2HG PRO 66 2HG PRO 66 -8.996 1.123 -13.963 485 1HD PRO 66 1HD PRO 66 -8.519 1.750 -11.205 486 2HD PRO 66 2HD PRO 66 -8.586 0.152 -11.921 487 H ARG 67 H ARG 67 -6.705 3.136 -10.948 488 HA ARG 67 HA ARG 67 -5.108 5.373 -11.693 489 1HB ARG 67 1HB ARG 67 -7.509 5.112 -10.382 490 2HB ARG 67 2HB ARG 67 -6.440 5.305 -9.007 491 1HG ARG 67 1HG ARG 67 -5.727 7.463 -9.688 492 2HG ARG 67 2HG ARG 67 -6.188 7.199 -11.358 493 1HD ARG 67 1HD ARG 67 -8.503 6.949 -9.558 494 2HD ARG 67 2HD ARG 67 -7.722 8.508 -9.381 495 HE ARG 67 HE ARG 67 -8.026 7.815 -12.182 496 1HH1 ARG 67 2HH2 ARG 67 -9.787 9.039 -9.392 497 2HH1 ARG 67 1HH2 ARG 67 -10.959 9.887 -10.343 498 1HH2 ARG 67 2HH1 ARG 67 -9.573 8.933 -13.438 499 2HH2 ARG 67 1HH1 ARG 67 -10.837 9.826 -12.660 500 H LEU 68 H LEU 68 -5.066 2.694 -9.341 501 HA LEU 68 HA LEU 68 -2.971 3.863 -7.765 502 1HB LEU 68 1HB LEU 68 -4.765 2.390 -6.871 503 2HB LEU 68 2HB LEU 68 -4.076 1.052 -7.769 504 HG LEU 68 HG LEU 68 -1.921 2.071 -6.306 505 1HD1 LEU 68 1HD1 LEU 68 -4.475 2.514 -4.869 506 2HD1 LEU 68 2HD1 LEU 68 -3.174 1.722 -3.947 507 3HD1 LEU 68 3HD1 LEU 68 -2.895 3.314 -4.693 508 1HD2 LEU 68 1HD2 LEU 68 -3.463 -0.192 -5.151 509 2HD2 LEU 68 2HD2 LEU 68 -2.947 -0.345 -6.848 510 3HD2 LEU 68 3HD2 LEU 68 -1.738 -0.065 -5.572 511 H ARG 69 H ARG 69 -3.315 1.563 -10.480 512 HA ARG 69 HA ARG 69 -0.673 0.650 -10.309 513 1HB ARG 69 1HB ARG 69 -2.399 -0.656 -11.477 514 2HB ARG 69 2HB ARG 69 -2.699 0.656 -12.600 515 1HG ARG 69 1HG ARG 69 -1.077 -0.131 -13.970 516 2HG ARG 69 2HG ARG 69 0.116 0.103 -12.708 517 1HD ARG 69 1HD ARG 69 -0.389 -2.140 -11.770 518 2HD ARG 69 2HD ARG 69 -1.661 -2.374 -12.953 519 HE ARG 69 HE ARG 69 -0.039 -2.925 -14.542 520 1HH1 ARG 69 2HH2 ARG 69 1.499 -1.168 -11.910 521 2HH1 ARG 69 1HH2 ARG 69 3.103 -1.409 -12.516 522 1HH2 ARG 69 2HH1 ARG 69 2.077 -3.243 -15.343 523 2HH2 ARG 69 1HH1 ARG 69 3.434 -2.597 -14.482 524 H ALA 70 H ALA 70 -2.379 3.093 -12.384 525 HA ALA 70 HA ALA 70 -0.244 3.813 -13.974 526 1HB ALA 70 1HB ALA 70 -1.534 5.804 -14.439 527 2HB ALA 70 2HB ALA 70 -2.674 4.456 -14.213 528 3HB ALA 70 3HB ALA 70 -2.429 5.643 -12.909 529 H TRP 71 H TRP 71 -0.981 4.566 -10.583 530 HA TRP 71 HA TRP 71 0.838 6.747 -10.407 531 1HB TRP 71 1HB TRP 71 -1.017 6.616 -8.900 532 2HB TRP 71 2HB TRP 71 -0.535 5.027 -8.341 533 HD1 TRP 71 HD1 TRP 71 0.857 8.673 -8.218 534 HE1 TRP 71 HE1 TRP 71 2.256 9.056 -6.013 535 HE3 TRP 71 HE3 TRP 71 0.531 3.880 -6.553 536 HZ2 TRP 71 HZ2 TRP 71 3.051 7.350 -3.868 537 HZ3 TRP 71 HZ3 TRP 71 1.646 3.322 -4.395 538 HH2 TRP 71 HH2 TRP 71 2.873 4.966 -3.065 539 H LEU 72 H LEU 72 0.892 3.200 -9.714 540 HA LEU 72 HA LEU 72 3.420 3.122 -8.561 541 1HB LEU 72 1HB LEU 72 1.870 1.055 -10.124 542 2HB LEU 72 2HB LEU 72 3.358 0.718 -9.260 543 HG LEU 72 HG LEU 72 0.956 1.892 -7.859 544 1HD1 LEU 72 1HD1 LEU 72 0.801 -0.698 -7.146 545 2HD1 LEU 72 2HD1 LEU 72 -0.136 0.014 -8.481 546 3HD1 LEU 72 3HD1 LEU 72 1.363 -0.882 -8.825 547 1HD2 LEU 72 1HD2 LEU 72 3.005 2.066 -6.618 548 2HD2 LEU 72 2HD2 LEU 72 2.001 0.792 -5.884 549 3HD2 LEU 72 3HD2 LEU 72 3.386 0.352 -6.912 550 H ASP 73 H ASP 73 2.386 2.682 -12.010 551 HA ASP 73 HA ASP 73 4.794 2.126 -13.077 552 1HB ASP 73 1HB ASP 73 2.371 2.520 -14.118 553 2HB ASP 73 2HB ASP 73 2.980 4.130 -14.446 554 H ALA 74 H ALA 74 3.406 5.279 -12.041 555 HA ALA 74 HA ALA 74 5.222 6.992 -13.237 556 1HB ALA 74 1HB ALA 74 3.021 7.183 -11.574 557 2HB ALA 74 2HB ALA 74 4.343 7.747 -10.524 558 3HB ALA 74 3HB ALA 74 4.044 8.547 -12.086 559 H ALA 75 H ALA 75 5.607 4.689 -10.622 560 HA ALA 75 HA ALA 75 8.255 5.850 -10.079 561 1HB ALA 75 1HB ALA 75 7.514 4.141 -7.953 562 2HB ALA 75 2HB ALA 75 7.607 5.919 -7.928 563 3HB ALA 75 3HB ALA 75 6.068 5.113 -8.317 564 HA PRO 76 HA PRO 76 9.917 2.020 -11.211 565 1HB PRO 76 1HB PRO 76 11.994 1.634 -9.476 566 2HB PRO 76 2HB PRO 76 12.083 2.715 -10.853 567 1HG PRO 76 1HG PRO 76 11.796 3.383 -7.988 568 2HG PRO 76 2HG PRO 76 12.307 4.414 -9.309 569 1HD PRO 76 1HD PRO 76 9.738 4.405 -8.034 570 2HD PRO 76 2HD PRO 76 10.212 5.353 -9.430 571 H HIS 77 H HIS 77 10.991 -0.182 -10.157 572 HA HIS 77 HA HIS 77 10.154 -2.130 -9.473 573 1HB HIS 77 1HB HIS 77 9.554 -1.092 -6.780 574 2HB HIS 77 2HB HIS 77 10.639 -2.373 -7.283 575 HD1 HIS 77 HD1 HIS 77 10.513 1.369 -6.751 576 HD2 HIS 77 HD2 HIS 77 13.316 -1.612 -7.673 577 HE1 HIS 77 HE1 HIS 77 12.811 2.456 -6.532 578 H ALA 78 H ALA 78 8.246 -2.415 -10.698 579 HA ALA 78 HA ALA 78 5.816 -2.027 -9.120 580 1HB ALA 78 1HB ALA 78 6.507 -0.376 -11.265 581 2HB ALA 78 2HB ALA 78 5.406 -1.575 -11.985 582 3HB ALA 78 3HB ALA 78 4.874 -0.603 -10.592 Start of MODEL 20 1 1H MET 1 1H MET 1 12.940 -4.069 0.543 2 HA MET 1 HA MET 1 13.115 -1.386 -0.529 3 1HB MET 1 1HB MET 1 14.727 -3.764 -1.342 4 2HB MET 1 2HB MET 1 13.931 -2.972 -2.687 5 1HG MET 1 1HG MET 1 15.870 -1.696 -2.620 6 2HG MET 1 2HG MET 1 14.894 -0.752 -1.513 7 1HE MET 1 1HE MET 1 16.655 0.340 -0.305 8 2HE MET 1 2HE MET 1 18.010 -0.410 0.571 9 3HE MET 1 3HE MET 1 18.012 -0.374 -1.209 10 H ALA 2 H ALA 2 10.739 -1.600 -0.183 11 HA ALA 2 HA ALA 2 9.476 -2.476 -2.570 12 1HB ALA 2 1HB ALA 2 9.824 -4.474 -0.650 13 2HB ALA 2 2HB ALA 2 8.167 -3.892 -0.362 14 3HB ALA 2 3HB ALA 2 8.635 -4.483 -1.974 15 H LEU 3 H LEU 3 6.878 -2.351 -2.030 16 HA LEU 3 HA LEU 3 6.496 0.327 -1.277 17 1HB LEU 3 1HB LEU 3 4.611 -1.965 -1.808 18 2HB LEU 3 2HB LEU 3 4.054 -0.351 -1.412 19 HG LEU 3 HG LEU 3 5.927 -0.827 -3.728 20 1HD1 LEU 3 1HD1 LEU 3 3.405 -1.999 -3.546 21 2HD1 LEU 3 2HD1 LEU 3 3.150 -0.532 -4.522 22 3HD1 LEU 3 3HD1 LEU 3 4.364 -1.734 -5.022 23 1HD2 LEU 3 1HD2 LEU 3 4.183 1.412 -2.773 24 2HD2 LEU 3 2HD2 LEU 3 5.855 1.441 -3.382 25 3HD2 LEU 3 3HD2 LEU 3 4.498 1.234 -4.516 26 H THR 4 H THR 4 4.492 0.727 0.390 27 HA THR 4 HA THR 4 4.682 -0.927 2.737 28 HB THR 4 HB THR 4 5.953 1.848 2.580 29 HG1 THR 4 HG1 THR 4 7.426 0.141 2.248 30 1HG2 THR 4 1HG2 THR 4 4.391 1.279 4.692 31 2HG2 THR 4 2HG2 THR 4 5.764 0.235 5.133 32 3HG2 THR 4 3HG2 THR 4 6.007 1.986 4.928 33 H LEU 5 H LEU 5 2.548 -1.222 3.008 34 HA LEU 5 HA LEU 5 0.888 1.198 2.892 35 1HB LEU 5 1HB LEU 5 0.139 -0.225 1.214 36 2HB LEU 5 2HB LEU 5 0.371 -1.668 2.181 37 HG LEU 5 HG LEU 5 -1.515 -0.532 3.688 38 1HD1 LEU 5 1HD1 LEU 5 -2.795 1.056 2.765 39 2HD1 LEU 5 2HD1 LEU 5 -1.402 1.340 1.694 40 3HD1 LEU 5 3HD1 LEU 5 -2.745 0.304 1.152 41 1HD2 LEU 5 1HD2 LEU 5 -2.366 -1.894 1.137 42 2HD2 LEU 5 2HD2 LEU 5 -1.461 -2.758 2.403 43 3HD2 LEU 5 3HD2 LEU 5 -3.047 -2.040 2.776 44 H TYR 6 H TYR 6 0.498 2.010 4.878 45 HA TYR 6 HA TYR 6 0.852 0.443 7.213 46 1HB TYR 6 1HB TYR 6 -0.321 3.173 6.440 47 2HB TYR 6 2HB TYR 6 -0.336 2.650 8.113 48 HD1 TYR 6 HD1 TYR 6 1.597 4.187 5.510 49 HD2 TYR 6 HD2 TYR 6 1.918 2.083 9.221 50 HE1 TYR 6 HE1 TYR 6 3.962 5.069 5.814 51 HE2 TYR 6 HE2 TYR 6 4.281 2.972 9.512 52 HH TYR 6 HH TYR 6 5.653 5.248 7.166 53 H GLN 7 H GLN 7 -0.620 -0.592 8.531 54 HA GLN 7 HA GLN 7 -3.378 -0.061 8.307 55 1HB GLN 7 1HB GLN 7 -4.133 -2.218 7.439 56 2HB GLN 7 2HB GLN 7 -3.078 -1.459 6.264 57 1HG GLN 7 1HG GLN 7 -1.161 -2.833 7.453 58 2HG GLN 7 2HG GLN 7 -2.473 -3.793 8.108 59 1HE2 GLN 7 1HE2 GLN 7 -3.393 -5.316 6.916 60 2HE2 GLN 7 2HE2 GLN 7 -3.097 -5.623 5.237 61 H ARG 8 H ARG 8 -4.530 -0.921 10.108 62 HA ARG 8 HA ARG 8 -2.774 -1.873 12.156 63 1HB ARG 8 1HB ARG 8 -4.740 -1.527 13.652 64 2HB ARG 8 2HB ARG 8 -4.427 -0.102 12.681 65 1HG ARG 8 1HG ARG 8 -6.314 -0.430 11.323 66 2HG ARG 8 2HG ARG 8 -6.334 -2.164 11.579 67 1HD ARG 8 1HD ARG 8 -8.101 -1.619 12.969 68 2HD ARG 8 2HD ARG 8 -6.809 -1.401 14.133 69 HE ARG 8 HE ARG 8 -7.292 1.024 12.595 70 1HH1 ARG 8 2HH2 ARG 8 -8.436 -0.868 15.333 71 2HH1 ARG 8 1HH2 ARG 8 -9.153 0.490 16.135 72 1HH2 ARG 8 2HH1 ARG 8 -8.238 2.815 13.653 73 2HH2 ARG 8 1HH1 ARG 8 -9.040 2.599 15.172 74 H ASP 9 H ASP 9 -4.269 -3.520 13.764 75 HA ASP 9 HA ASP 9 -4.097 -5.943 12.481 76 1HB ASP 9 1HB ASP 9 -5.589 -6.703 14.496 77 2HB ASP 9 2HB ASP 9 -4.000 -6.043 14.829 78 H ASP 10 H ASP 10 -5.377 -5.869 10.501 79 HA ASP 10 HA ASP 10 -7.133 -6.191 9.272 80 1HB ASP 10 1HB ASP 10 -7.731 -7.944 10.950 81 2HB ASP 10 2HB ASP 10 -8.587 -6.747 11.902 82 H CYS 11 H CYS 11 -9.034 -4.987 8.461 83 HA CYS 11 HA CYS 11 -10.462 -3.178 10.010 84 1HB CYS 11 1HB CYS 11 -7.932 -2.165 9.612 85 2HB CYS 11 2HB CYS 11 -8.813 -1.458 8.273 86 HG CYS 11 HG CYS 11 -9.488 0.361 9.656 87 H HIS 12 H HIS 12 -11.533 -1.462 8.296 88 HA HIS 12 HA HIS 12 -12.201 -3.123 5.991 89 1HB HIS 12 1HB HIS 12 -14.007 -2.472 7.581 90 2HB HIS 12 2HB HIS 12 -13.715 -0.789 7.192 91 HD1 HIS 12 HD1 HIS 12 -15.600 -3.739 6.086 92 HD2 HIS 12 HD2 HIS 12 -14.282 -0.148 4.365 93 HE1 HIS 12 HE1 HIS 12 -16.964 -3.426 3.952 94 H LEU 13 H LEU 13 -11.276 0.217 6.999 95 HA LEU 13 HA LEU 13 -11.288 1.317 4.437 96 1HB LEU 13 1HB LEU 13 -11.189 2.420 6.753 97 2HB LEU 13 2HB LEU 13 -9.458 2.158 6.671 98 HG LEU 13 HG LEU 13 -9.514 3.438 4.451 99 1HD1 LEU 13 1HD1 LEU 13 -12.004 3.236 4.190 100 2HD1 LEU 13 2HD1 LEU 13 -12.174 4.429 5.499 101 3HD1 LEU 13 3HD1 LEU 13 -11.353 4.880 3.985 102 1HD2 LEU 13 1HD2 LEU 13 -9.299 4.278 7.134 103 2HD2 LEU 13 2HD2 LEU 13 -8.645 5.067 5.678 104 3HD2 LEU 13 3HD2 LEU 13 -10.252 5.523 6.291 105 H CYS 14 H CYS 14 -8.831 -0.547 6.268 106 HA CYS 14 HA CYS 14 -6.806 -0.090 4.332 107 1HB CYS 14 1HB CYS 14 -5.451 -1.540 5.628 108 2HB CYS 14 2HB CYS 14 -6.420 -0.634 6.773 109 HG CYS 14 HG CYS 14 -6.257 -3.069 7.642 110 H ASP 15 H ASP 15 -9.315 -2.567 5.026 111 HA ASP 15 HA ASP 15 -8.440 -4.574 3.425 112 1HB ASP 15 1HB ASP 15 -10.752 -3.975 4.868 113 2HB ASP 15 2HB ASP 15 -11.356 -4.047 3.224 114 H GLN 16 H GLN 16 -10.718 -1.841 2.613 115 HA GLN 16 HA GLN 16 -11.021 -2.495 -0.042 116 1HB GLN 16 1HB GLN 16 -11.530 -0.140 1.689 117 2HB GLN 16 2HB GLN 16 -11.305 0.261 -0.002 118 1HG GLN 16 1HG GLN 16 -12.962 -2.016 -0.074 119 2HG GLN 16 2HG GLN 16 -13.557 -1.115 1.306 120 1HE2 GLN 16 1HE2 GLN 16 -13.702 1.321 0.920 121 2HE2 GLN 16 2HE2 GLN 16 -14.438 1.835 -0.562 122 H ALA 17 H ALA 17 -8.321 -1.080 1.675 123 HA ALA 17 HA ALA 17 -7.187 0.240 -0.590 124 1HB ALA 17 1HB ALA 17 -5.759 1.071 0.960 125 2HB ALA 17 2HB ALA 17 -6.859 0.336 2.151 126 3HB ALA 17 3HB ALA 17 -5.401 -0.540 1.627 127 H VAL 18 H VAL 18 -6.566 -2.850 1.208 128 HA VAL 18 HA VAL 18 -4.468 -3.698 -0.411 129 HB VAL 18 HB VAL 18 -6.510 -5.253 1.189 130 1HG1 VAL 18 1HG1 VAL 18 -3.923 -6.525 0.966 131 2HG1 VAL 18 2HG1 VAL 18 -5.536 -7.158 0.557 132 3HG1 VAL 18 3HG1 VAL 18 -4.610 -6.235 -0.650 133 1HG2 VAL 18 1HG2 VAL 18 -3.694 -4.742 2.086 134 2HG2 VAL 18 2HG2 VAL 18 -4.899 -3.441 2.243 135 3HG2 VAL 18 3HG2 VAL 18 -5.170 -5.006 3.046 136 H GLU 19 H GLU 19 -8.022 -3.886 -0.771 137 HA GLU 19 HA GLU 19 -8.070 -5.774 -2.778 138 1HB GLU 19 1HB GLU 19 -9.921 -4.124 -1.428 139 2HB GLU 19 2HB GLU 19 -10.111 -3.698 -3.118 140 1HG GLU 19 1HG GLU 19 -10.898 -5.796 -3.711 141 2HG GLU 19 2HG GLU 19 -9.893 -6.628 -2.541 142 H ALA 20 H ALA 20 -7.926 -2.151 -2.963 143 HA ALA 20 HA ALA 20 -7.929 -1.987 -5.739 144 1HB ALA 20 1HB ALA 20 -7.171 -0.258 -3.423 145 2HB ALA 20 2HB ALA 20 -6.542 0.212 -5.020 146 3HB ALA 20 3HB ALA 20 -8.297 0.057 -4.764 147 H LEU 21 H LEU 21 -5.304 -2.548 -3.354 148 HA LEU 21 HA LEU 21 -3.190 -2.220 -5.171 149 1HB LEU 21 1HB LEU 21 -3.601 -3.122 -2.427 150 2HB LEU 21 2HB LEU 21 -2.323 -4.004 -3.239 151 HG LEU 21 HG LEU 21 -2.389 -0.991 -3.288 152 1HD1 LEU 21 1HD1 LEU 21 -1.489 -0.743 -1.218 153 2HD1 LEU 21 2HD1 LEU 21 -2.469 -2.196 -0.907 154 3HD1 LEU 21 3HD1 LEU 21 -0.725 -2.351 -1.228 155 1HD2 LEU 21 1HD2 LEU 21 -0.404 -3.135 -3.908 156 2HD2 LEU 21 2HD2 LEU 21 -0.769 -1.622 -4.770 157 3HD2 LEU 21 3HD2 LEU 21 0.190 -1.583 -3.271 158 H ALA 22 H ALA 22 -4.782 -5.229 -3.892 159 HA ALA 22 HA ALA 22 -3.402 -7.001 -5.495 160 1HB ALA 22 1HB ALA 22 -5.175 -7.230 -3.502 161 2HB ALA 22 2HB ALA 22 -6.289 -7.502 -4.864 162 3HB ALA 22 3HB ALA 22 -4.874 -8.559 -4.647 163 H GLN 23 H GLN 23 -6.435 -5.142 -6.121 164 HA GLN 23 HA GLN 23 -7.067 -6.343 -8.504 165 1HB GLN 23 1HB GLN 23 -7.624 -3.652 -7.266 166 2HB GLN 23 2HB GLN 23 -8.065 -3.896 -8.944 167 1HG GLN 23 1HG GLN 23 -8.953 -6.239 -7.608 168 2HG GLN 23 2HG GLN 23 -9.360 -4.922 -6.526 169 1HE2 GLN 23 1HE2 GLN 23 -11.428 -4.526 -6.777 170 2HE2 GLN 23 2HE2 GLN 23 -12.264 -4.254 -8.269 171 H ALA 24 H ALA 24 -4.880 -3.564 -7.785 172 HA ALA 24 HA ALA 24 -4.322 -3.093 -10.546 173 1HB ALA 24 1HB ALA 24 -2.313 -1.889 -9.061 174 2HB ALA 24 2HB ALA 24 -3.873 -1.145 -9.489 175 3HB ALA 24 3HB ALA 24 -3.671 -1.946 -7.913 176 H ARG 25 H ARG 25 -3.430 -5.500 -8.286 177 HA ARG 25 HA ARG 25 -1.965 -7.087 -8.293 178 1HB ARG 25 1HB ARG 25 -1.999 -6.296 -11.188 179 2HB ARG 25 2HB ARG 25 -0.647 -7.294 -10.690 180 1HG ARG 25 1HG ARG 25 -3.153 -8.304 -9.553 181 2HG ARG 25 2HG ARG 25 -3.275 -8.165 -11.296 182 1HD ARG 25 1HD ARG 25 -0.753 -9.282 -11.027 183 2HD ARG 25 2HD ARG 25 -1.586 -9.993 -9.659 184 HE ARG 25 HE ARG 25 -3.245 -10.142 -12.021 185 1HH1 ARG 25 2HH2 ARG 25 -0.431 -11.621 -10.511 186 2HH1 ARG 25 1HH2 ARG 25 -0.647 -13.145 -11.305 187 1HH2 ARG 25 2HH1 ARG 25 -3.530 -12.153 -13.068 188 2HH2 ARG 25 1HH1 ARG 25 -2.422 -13.450 -12.769 189 H ALA 26 H ALA 26 -1.111 -4.570 -7.268 190 HA ALA 26 HA ALA 26 1.220 -3.521 -8.222 191 1HB ALA 26 1HB ALA 26 0.952 -3.921 -5.267 192 2HB ALA 26 2HB ALA 26 1.304 -2.442 -6.192 193 3HB ALA 26 3HB ALA 26 -0.363 -3.058 -6.100 194 H GLY 27 H GLY 27 0.786 -6.359 -6.006 195 1HA GLY 27 1HA GLY 27 2.279 -8.249 -6.616 196 2HA GLY 27 2HA GLY 27 3.593 -7.090 -6.595 197 H ALA 28 H ALA 28 4.815 -7.813 -4.853 198 HA ALA 28 HA ALA 28 3.401 -8.280 -2.340 199 1HB ALA 28 1HB ALA 28 4.863 -10.069 -2.965 200 2HB ALA 28 2HB ALA 28 6.181 -8.943 -3.369 201 3HB ALA 28 3HB ALA 28 5.696 -9.174 -1.672 202 H PHE 29 H PHE 29 4.224 -7.278 -0.345 203 HA PHE 29 HA PHE 29 6.067 -5.117 -0.573 204 1HB PHE 29 1HB PHE 29 4.278 -3.427 0.156 205 2HB PHE 29 2HB PHE 29 4.058 -4.011 -1.482 206 HD1 PHE 29 HD1 PHE 29 2.773 -4.160 1.951 207 HD2 PHE 29 HD2 PHE 29 2.177 -5.407 -2.061 208 HE1 PHE 29 HE1 PHE 29 0.436 -4.876 2.521 209 HE2 PHE 29 HE2 PHE 29 -0.161 -6.123 -1.491 210 HZ PHE 29 HZ PHE 29 -1.003 -5.850 0.793 211 H PHE 30 H PHE 30 5.703 -3.705 1.681 212 HA PHE 30 HA PHE 30 5.612 -5.792 3.738 213 1HB PHE 30 1HB PHE 30 6.902 -2.998 3.681 214 2HB PHE 30 2HB PHE 30 7.128 -4.185 4.950 215 HD1 PHE 30 HD1 PHE 30 8.898 -2.707 2.567 216 HD2 PHE 30 HD2 PHE 30 7.691 -6.649 3.574 217 HE1 PHE 30 HE1 PHE 30 10.891 -3.628 1.350 218 HE2 PHE 30 HE2 PHE 30 9.684 -7.570 2.357 219 HZ PHE 30 HZ PHE 30 11.260 -6.049 1.260 220 H SER 31 H SER 31 4.191 -5.622 5.442 221 HA SER 31 HA SER 31 2.451 -3.301 5.340 222 1HB SER 31 1HB SER 31 2.136 -6.153 6.243 223 2HB SER 31 2HB SER 31 1.162 -4.941 7.049 224 HG SER 31 HG SER 31 -0.148 -5.070 5.369 225 H VAL 32 H VAL 32 2.332 -1.850 7.060 226 HA VAL 32 HA VAL 32 3.914 -2.561 9.434 227 HB VAL 32 HB VAL 32 3.621 0.120 8.063 228 1HG1 VAL 32 1HG1 VAL 32 4.981 1.072 9.748 229 2HG1 VAL 32 2HG1 VAL 32 3.755 0.117 10.616 230 3HG1 VAL 32 3HG1 VAL 32 5.406 -0.519 10.422 231 1HG2 VAL 32 1HG2 VAL 32 5.202 -0.865 6.744 232 2HG2 VAL 32 2HG2 VAL 32 6.264 -0.324 8.067 233 3HG2 VAL 32 3HG2 VAL 32 5.706 -2.013 8.008 234 H PHE 33 H PHE 33 2.950 -2.238 11.424 235 HA PHE 33 HA PHE 33 0.136 -1.502 11.294 236 1HB PHE 33 1HB PHE 33 1.851 -2.595 13.598 237 2HB PHE 33 2HB PHE 33 0.101 -2.634 13.507 238 HD1 PHE 33 HD1 PHE 33 -0.947 -4.040 11.621 239 HD2 PHE 33 HD2 PHE 33 3.108 -4.403 12.820 240 HE1 PHE 33 HE1 PHE 33 -0.843 -6.321 10.579 241 HE2 PHE 33 HE2 PHE 33 3.212 -6.683 11.777 242 HZ PHE 33 HZ PHE 33 1.235 -7.615 10.669 243 H ILE 34 H ILE 34 -0.527 0.505 11.884 244 HA ILE 34 HA ILE 34 1.362 2.288 13.094 245 HB ILE 34 HB ILE 34 -0.269 3.970 12.722 246 1HG1 ILE 34 1HG1 ILE 34 -2.412 2.250 11.656 247 2HG1 ILE 34 2HG1 ILE 34 -2.155 2.082 13.381 248 1HG2 ILE 34 1HG2 ILE 34 0.472 3.869 10.627 249 2HG2 ILE 34 2HG2 ILE 34 0.486 2.089 10.633 250 3HG2 ILE 34 3HG2 ILE 34 -1.012 2.966 10.240 251 1HD1 ILE 34 1HD1 ILE 34 -3.802 3.913 12.679 252 2HD1 ILE 34 2HD1 ILE 34 -2.497 4.438 13.770 253 3HD1 ILE 34 3HD1 ILE 34 -2.404 4.802 12.030 254 H ASP 35 H ASP 35 -1.082 0.042 14.156 255 HA ASP 35 HA ASP 35 -2.070 1.209 16.373 256 1HB ASP 35 1HB ASP 35 -2.533 -1.000 17.171 257 2HB ASP 35 2HB ASP 35 -2.537 -1.126 15.423 258 H ASP 36 H ASP 36 -1.368 1.308 18.631 259 HA ASP 36 HA ASP 36 0.015 1.166 20.338 260 1HB ASP 36 1HB ASP 36 1.106 -0.828 18.844 261 2HB ASP 36 2HB ASP 36 2.422 0.324 18.744 262 H ASP 37 H ASP 37 1.739 1.956 17.224 263 HA ASP 37 HA ASP 37 3.358 3.911 18.372 264 1HB ASP 37 1HB ASP 37 2.582 3.046 15.606 265 2HB ASP 37 2HB ASP 37 3.246 4.661 15.746 266 H ALA 38 H ALA 38 2.029 5.431 19.555 267 HA ALA 38 HA ALA 38 -0.335 6.536 18.584 268 1HB ALA 38 1HB ALA 38 0.998 8.396 20.298 269 2HB ALA 38 2HB ALA 38 -0.304 7.254 20.710 270 3HB ALA 38 3HB ALA 38 1.399 6.756 20.865 271 H ALA 39 H ALA 39 3.101 7.343 18.061 272 HA ALA 39 HA ALA 39 2.711 9.913 17.028 273 1HB ALA 39 1HB ALA 39 4.854 7.798 16.598 274 2HB ALA 39 2HB ALA 39 4.973 9.462 15.979 275 3HB ALA 39 3HB ALA 39 4.892 9.169 17.733 276 H LEU 40 H LEU 40 2.846 6.649 15.463 277 HA LEU 40 HA LEU 40 2.437 7.705 12.865 278 1HB LEU 40 1HB LEU 40 2.066 4.900 13.926 279 2HB LEU 40 2HB LEU 40 2.126 5.361 12.236 280 HG LEU 40 HG LEU 40 4.403 5.698 14.209 281 1HD1 LEU 40 1HD1 LEU 40 5.463 3.856 12.870 282 2HD1 LEU 40 2HD1 LEU 40 4.077 3.362 13.871 283 3HD1 LEU 40 3HD1 LEU 40 3.875 3.577 12.116 284 1HD2 LEU 40 1HD2 LEU 40 4.463 7.373 12.440 285 2HD2 LEU 40 2HD2 LEU 40 5.773 6.185 12.234 286 3HD2 LEU 40 3HD2 LEU 40 4.322 6.098 11.206 287 H GLU 41 H GLU 41 0.347 6.634 15.543 288 HA GLU 41 HA GLU 41 -1.967 6.376 14.013 289 1HB GLU 41 1HB GLU 41 -1.442 6.849 16.966 290 2HB GLU 41 2HB GLU 41 -3.078 6.764 16.344 291 1HG GLU 41 1HG GLU 41 -1.324 4.566 15.384 292 2HG GLU 41 2HG GLU 41 -1.548 4.579 17.122 293 H SER 42 H SER 42 -0.555 9.119 15.901 294 HA SER 42 HA SER 42 -2.726 10.818 15.338 295 1HB SER 42 1HB SER 42 -0.460 10.852 17.016 296 2HB SER 42 2HB SER 42 -0.197 12.192 15.919 297 HG SER 42 HG SER 42 -1.484 13.213 17.319 298 H ALA 43 H ALA 43 0.290 9.920 13.713 299 HA ALA 43 HA ALA 43 0.391 12.194 12.007 300 1HB ALA 43 1HB ALA 43 1.841 9.645 12.427 301 2HB ALA 43 2HB ALA 43 1.830 10.228 10.745 302 3HB ALA 43 3HB ALA 43 2.465 11.267 12.043 303 H TYR 44 H TYR 44 -0.915 8.837 11.792 304 HA TYR 44 HA TYR 44 -2.124 9.587 9.222 305 1HB TYR 44 1HB TYR 44 -1.478 6.951 10.678 306 2HB TYR 44 2HB TYR 44 -2.377 6.991 9.174 307 HD1 TYR 44 HD1 TYR 44 -0.991 8.839 7.464 308 HD2 TYR 44 HD2 TYR 44 0.648 6.103 10.316 309 HE1 TYR 44 HE1 TYR 44 1.193 8.781 6.164 310 HE2 TYR 44 HE2 TYR 44 2.826 6.054 9.006 311 HH TYR 44 HH TYR 44 3.901 6.763 7.279 312 H GLY 45 H GLY 45 -2.915 7.308 11.942 313 1HA GLY 45 1HA GLY 45 -4.836 6.933 13.045 314 2HA GLY 45 2HA GLY 45 -5.221 8.625 12.804 315 H LEU 46 H LEU 46 -6.283 9.289 10.741 316 HA LEU 46 HA LEU 46 -8.198 7.277 9.971 317 1HB LEU 46 1HB LEU 46 -8.160 10.079 10.241 318 2HB LEU 46 2HB LEU 46 -8.396 9.766 8.533 319 HG LEU 46 HG LEU 46 -10.521 10.027 9.709 320 1HD1 LEU 46 1HD1 LEU 46 -11.401 7.577 9.139 321 2HD1 LEU 46 2HD1 LEU 46 -10.949 8.749 7.878 322 3HD1 LEU 46 3HD1 LEU 46 -9.806 7.471 8.355 323 1HD2 LEU 46 1HD2 LEU 46 -10.411 7.463 11.146 324 2HD2 LEU 46 2HD2 LEU 46 -9.339 8.723 11.802 325 3HD2 LEU 46 3HD2 LEU 46 -11.083 9.037 11.638 326 H ARG 47 H ARG 47 -5.254 8.807 8.738 327 HA ARG 47 HA ARG 47 -5.772 7.779 6.109 328 1HB ARG 47 1HB ARG 47 -3.366 9.275 7.269 329 2HB ARG 47 2HB ARG 47 -3.533 8.844 5.579 330 1HG ARG 47 1HG ARG 47 -4.692 10.761 5.242 331 2HG ARG 47 2HG ARG 47 -5.975 10.130 6.255 332 1HD ARG 47 1HD ARG 47 -5.352 11.402 8.080 333 2HD ARG 47 2HD ARG 47 -3.639 11.220 7.758 334 HE ARG 47 HE ARG 47 -5.409 13.324 6.707 335 1HH1 ARG 47 2HH2 ARG 47 -2.317 11.677 6.374 336 2HH1 ARG 47 1HH2 ARG 47 -1.570 12.982 5.513 337 1HH2 ARG 47 2HH1 ARG 47 -4.424 15.045 5.571 338 2HH2 ARG 47 1HH1 ARG 47 -2.777 14.910 5.053 339 H VAL 48 H VAL 48 -5.615 5.786 8.189 340 HA VAL 48 HA VAL 48 -3.098 4.696 8.563 341 HB VAL 48 HB VAL 48 -5.908 3.884 8.823 342 1HG1 VAL 48 1HG1 VAL 48 -5.041 1.444 9.285 343 2HG1 VAL 48 2HG1 VAL 48 -5.503 1.940 7.639 344 3HG1 VAL 48 3HG1 VAL 48 -3.785 1.884 8.104 345 1HG2 VAL 48 1HG2 VAL 48 -5.252 4.207 10.932 346 2HG2 VAL 48 2HG2 VAL 48 -4.313 2.700 10.808 347 3HG2 VAL 48 3HG2 VAL 48 -3.539 4.262 10.452 348 HA PRO 49 HA PRO 49 -3.905 2.306 4.558 349 1HB PRO 49 1HB PRO 49 -5.950 3.057 2.909 350 2HB PRO 49 2HB PRO 49 -6.089 1.759 4.078 351 1HG PRO 49 1HG PRO 49 -7.200 4.496 4.207 352 2HG PRO 49 2HG PRO 49 -7.665 3.078 5.126 353 1HD PRO 49 1HD PRO 49 -6.079 5.281 6.053 354 2HD PRO 49 2HD PRO 49 -6.447 3.811 6.933 355 H VAL 50 H VAL 50 -1.961 3.783 4.643 356 HA VAL 50 HA VAL 50 -2.161 5.544 2.298 357 HB VAL 50 HB VAL 50 -0.740 5.824 4.927 358 1HG1 VAL 50 1HG1 VAL 50 0.656 7.595 4.041 359 2HG1 VAL 50 2HG1 VAL 50 0.959 6.098 3.126 360 3HG1 VAL 50 3HG1 VAL 50 -0.044 7.387 2.418 361 1HG2 VAL 50 1HG2 VAL 50 -2.156 7.972 3.352 362 2HG2 VAL 50 2HG2 VAL 50 -3.067 6.806 4.340 363 3HG2 VAL 50 3HG2 VAL 50 -1.861 7.868 5.104 364 H LEU 51 H LEU 51 -0.709 5.221 0.640 365 HA LEU 51 HA LEU 51 1.140 2.982 1.049 366 1HB LEU 51 1HB LEU 51 -0.764 3.623 -0.989 367 2HB LEU 51 2HB LEU 51 0.838 3.627 -1.697 368 HG LEU 51 HG LEU 51 -0.439 1.344 -0.168 369 1HD1 LEU 51 1HD1 LEU 51 -1.472 1.267 -2.221 370 2HD1 LEU 51 2HD1 LEU 51 -0.070 1.951 -3.080 371 3HD1 LEU 51 3HD1 LEU 51 -0.035 0.260 -2.522 372 1HD2 LEU 51 1HD2 LEU 51 2.363 1.845 -1.005 373 2HD2 LEU 51 2HD2 LEU 51 1.714 0.875 0.338 374 3HD2 LEU 51 3HD2 LEU 51 1.715 0.217 -1.316 375 H ARG 52 H ARG 52 3.329 3.249 0.750 376 HA ARG 52 HA ARG 52 4.149 5.811 -0.325 377 1HB ARG 52 1HB ARG 52 5.828 6.083 1.486 378 2HB ARG 52 2HB ARG 52 4.210 6.017 2.155 379 1HG ARG 52 1HG ARG 52 4.581 3.498 2.522 380 2HG ARG 52 2HG ARG 52 6.259 3.758 2.089 381 1HD ARG 52 1HD ARG 52 5.251 5.676 4.124 382 2HD ARG 52 2HD ARG 52 5.211 4.007 4.656 383 HE ARG 52 HE ARG 52 7.575 3.919 4.570 384 1HH1 ARG 52 2HH2 ARG 52 6.400 6.918 3.151 385 2HH1 ARG 52 1HH2 ARG 52 7.966 7.657 3.103 386 1HH2 ARG 52 2HH1 ARG 52 9.640 4.895 4.508 387 2HH2 ARG 52 1HH1 ARG 52 9.821 6.499 3.880 388 H ASP 53 H ASP 53 6.156 5.729 -1.482 389 HA ASP 53 HA ASP 53 7.333 3.064 -1.598 390 1HB ASP 53 1HB ASP 53 7.418 4.918 -3.978 391 2HB ASP 53 2HB ASP 53 7.491 3.168 -3.947 392 HA PRO 54 HA PRO 54 11.117 5.234 -1.136 393 1HB PRO 54 1HB PRO 54 12.913 3.708 -2.521 394 2HB PRO 54 2HB PRO 54 12.339 3.294 -0.918 395 1HG PRO 54 1HG PRO 54 11.606 2.092 -3.517 396 2HG PRO 54 2HG PRO 54 11.387 1.440 -1.905 397 1HD PRO 54 1HD PRO 54 9.369 2.618 -3.569 398 2HD PRO 54 2HD PRO 54 9.176 2.072 -1.915 399 H MET 55 H MET 55 9.830 4.847 -4.247 400 HA MET 55 HA MET 55 11.238 7.266 -4.987 401 1HB MET 55 1HB MET 55 11.119 4.663 -6.601 402 2HB MET 55 2HB MET 55 11.535 6.198 -7.338 403 1HG MET 55 1HG MET 55 13.262 6.252 -5.222 404 2HG MET 55 2HG MET 55 13.122 4.517 -5.423 405 1HE MET 55 1HE MET 55 14.474 3.586 -8.646 406 2HE MET 55 2HE MET 55 13.114 3.387 -7.516 407 3HE MET 55 3HE MET 55 12.902 4.341 -9.004 408 H GLY 56 H GLY 56 8.680 4.826 -5.714 409 1HA GLY 56 1HA GLY 56 7.238 6.329 -7.586 410 2HA GLY 56 2HA GLY 56 6.618 5.034 -6.582 411 H ARG 57 H ARG 57 7.742 6.827 -4.178 412 HA ARG 57 HA ARG 57 7.052 8.451 -2.898 413 1HB ARG 57 1HB ARG 57 4.878 9.270 -4.870 414 2HB ARG 57 2HB ARG 57 5.662 10.269 -3.662 415 1HG ARG 57 1HG ARG 57 7.862 9.549 -5.088 416 2HG ARG 57 2HG ARG 57 6.664 9.408 -6.360 417 1HD ARG 57 1HD ARG 57 6.568 11.666 -6.591 418 2HD ARG 57 2HD ARG 57 6.165 11.864 -4.897 419 HE ARG 57 HE ARG 57 8.933 11.307 -4.981 420 1HH1 ARG 57 2HH2 ARG 57 6.757 13.808 -6.160 421 2HH1 ARG 57 1HH2 ARG 57 7.956 15.056 -6.107 422 1HH2 ARG 57 2HH1 ARG 57 10.516 12.954 -4.910 423 2HH2 ARG 57 1HH1 ARG 57 10.109 14.567 -5.391 424 H GLU 58 H GLU 58 4.402 9.401 -2.298 425 HA GLU 58 HA GLU 58 3.128 6.856 -1.659 426 1HB GLU 58 1HB GLU 58 2.121 8.118 0.292 427 2HB GLU 58 2HB GLU 58 3.863 7.936 0.366 428 1HG GLU 58 1HG GLU 58 3.204 10.363 -1.105 429 2HG GLU 58 2HG GLU 58 2.360 10.366 0.431 430 H LEU 59 H LEU 59 0.844 6.645 -1.931 431 HA LEU 59 HA LEU 59 -0.325 8.802 -3.547 432 1HB LEU 59 1HB LEU 59 0.147 6.616 -4.682 433 2HB LEU 59 2HB LEU 59 -1.015 5.863 -3.608 434 HG LEU 59 HG LEU 59 -2.743 7.496 -4.502 435 1HD1 LEU 59 1HD1 LEU 59 -0.600 8.796 -5.597 436 2HD1 LEU 59 2HD1 LEU 59 -1.233 7.892 -6.994 437 3HD1 LEU 59 3HD1 LEU 59 -2.296 9.003 -6.097 438 1HD2 LEU 59 1HD2 LEU 59 -2.841 6.225 -6.777 439 2HD2 LEU 59 2HD2 LEU 59 -1.473 5.302 -6.111 440 3HD2 LEU 59 3HD2 LEU 59 -3.031 5.330 -5.250 441 H ASP 60 H ASP 60 -2.510 9.415 -3.130 442 HA ASP 60 HA ASP 60 -3.170 9.658 -0.535 443 1HB ASP 60 1HB ASP 60 -5.344 9.308 -2.620 444 2HB ASP 60 2HB ASP 60 -5.296 10.437 -1.281 445 H TRP 61 H TRP 61 -5.094 8.652 0.686 446 HA TRP 61 HA TRP 61 -4.849 5.857 0.748 447 1HB TRP 61 1HB TRP 61 -5.550 6.390 2.777 448 2HB TRP 61 2HB TRP 61 -6.162 7.946 2.251 449 HD1 TRP 61 HD1 TRP 61 -8.646 8.072 3.041 450 HE1 TRP 61 HE1 TRP 61 -10.803 6.552 3.044 451 HE3 TRP 61 HE3 TRP 61 -6.388 3.955 1.090 452 HZ2 TRP 61 HZ2 TRP 61 -11.312 3.860 2.247 453 HZ3 TRP 61 HZ3 TRP 61 -7.787 1.922 0.734 454 HH2 TRP 61 HH2 TRP 61 -10.168 1.832 1.279 455 HA PRO 62 HA PRO 62 -9.012 6.014 -1.521 456 1HB PRO 62 1HB PRO 62 -9.978 8.388 -2.466 457 2HB PRO 62 2HB PRO 62 -10.460 7.703 -0.927 458 1HG PRO 62 1HG PRO 62 -8.635 9.967 -1.458 459 2HG PRO 62 2HG PRO 62 -9.452 9.542 0.033 460 1HD PRO 62 1HD PRO 62 -6.688 9.104 -0.594 461 2HD PRO 62 2HD PRO 62 -7.532 8.576 0.848 462 H PHE 63 H PHE 63 -8.702 4.898 -3.331 463 HA PHE 63 HA PHE 63 -7.939 6.391 -5.649 464 1HB PHE 63 1HB PHE 63 -6.001 4.489 -5.850 465 2HB PHE 63 2HB PHE 63 -5.682 6.026 -5.071 466 HD1 PHE 63 HD1 PHE 63 -4.104 5.499 -3.439 467 HD2 PHE 63 HD2 PHE 63 -7.612 3.132 -3.750 468 HE1 PHE 63 HE1 PHE 63 -3.481 4.299 -1.325 469 HE2 PHE 63 HE2 PHE 63 -6.990 1.932 -1.636 470 HZ PHE 63 HZ PHE 63 -4.932 2.529 -0.448 471 H ASP 64 H ASP 64 -7.634 4.751 -7.582 472 HA ASP 64 HA ASP 64 -9.651 2.693 -7.163 473 1HB ASP 64 1HB ASP 64 -8.760 3.863 -9.831 474 2HB ASP 64 2HB ASP 64 -10.194 2.904 -9.521 475 H ALA 65 H ALA 65 -9.227 1.069 -9.387 476 HA ALA 65 HA ALA 65 -6.773 -0.229 -8.697 477 1HB ALA 65 1HB ALA 65 -7.797 -2.030 -9.607 478 2HB ALA 65 2HB ALA 65 -9.251 -1.004 -9.656 479 3HB ALA 65 3HB ALA 65 -8.216 -1.151 -11.097 480 HA PRO 66 HA PRO 66 -5.724 1.288 -13.059 481 1HB PRO 66 1HB PRO 66 -7.321 3.138 -14.282 482 2HB PRO 66 2HB PRO 66 -7.454 1.415 -14.573 483 1HG PRO 66 1HG PRO 66 -9.223 3.168 -12.979 484 2HG PRO 66 2HG PRO 66 -9.552 1.573 -13.628 485 1HD PRO 66 1HD PRO 66 -8.933 2.223 -10.904 486 2HD PRO 66 2HD PRO 66 -9.148 0.619 -11.576 487 H ARG 67 H ARG 67 -6.961 3.425 -10.693 488 HA ARG 67 HA ARG 67 -5.278 5.550 -11.562 489 1HB ARG 67 1HB ARG 67 -7.591 5.418 -10.052 490 2HB ARG 67 2HB ARG 67 -6.392 5.612 -8.788 491 1HG ARG 67 1HG ARG 67 -5.731 7.733 -9.535 492 2HG ARG 67 2HG ARG 67 -6.181 7.411 -11.198 493 1HD ARG 67 1HD ARG 67 -8.487 7.321 -9.333 494 2HD ARG 67 2HD ARG 67 -7.693 8.883 -9.370 495 HE ARG 67 HE ARG 67 -8.144 7.784 -12.043 496 1HH1 ARG 67 2HH2 ARG 67 -9.592 9.628 -9.419 497 2HH1 ARG 67 1HH2 ARG 67 -10.737 10.428 -10.442 498 1HH2 ARG 67 2HH1 ARG 67 -9.654 8.840 -13.394 499 2HH2 ARG 67 1HH1 ARG 67 -10.773 9.977 -12.719 500 H LEU 68 H LEU 68 -5.248 2.886 -9.190 501 HA LEU 68 HA LEU 68 -2.973 3.922 -7.781 502 1HB LEU 68 1HB LEU 68 -4.816 2.565 -6.769 503 2HB LEU 68 2HB LEU 68 -4.229 1.178 -7.665 504 HG LEU 68 HG LEU 68 -1.981 2.202 -6.299 505 1HD1 LEU 68 1HD1 LEU 68 -3.731 3.456 -4.941 506 2HD1 LEU 68 2HD1 LEU 68 -4.245 1.866 -4.330 507 3HD1 LEU 68 3HD1 LEU 68 -2.586 2.438 -4.036 508 1HD2 LEU 68 1HD2 LEU 68 -3.043 -0.219 -6.846 509 2HD2 LEU 68 2HD2 LEU 68 -1.734 0.051 -5.670 510 3HD2 LEU 68 3HD2 LEU 68 -3.417 -0.098 -5.110 511 H ARG 69 H ARG 69 -3.668 1.527 -10.363 512 HA ARG 69 HA ARG 69 -1.077 0.491 -10.387 513 1HB ARG 69 1HB ARG 69 -2.970 -0.736 -11.373 514 2HB ARG 69 2HB ARG 69 -3.266 0.555 -12.521 515 1HG ARG 69 1HG ARG 69 -2.045 -0.993 -13.813 516 2HG ARG 69 2HG ARG 69 -0.803 0.140 -13.318 517 1HD ARG 69 1HD ARG 69 0.252 -1.397 -11.962 518 2HD ARG 69 2HD ARG 69 -1.255 -2.079 -11.384 519 HE ARG 69 HE ARG 69 -1.027 -2.810 -14.114 520 1HH1 ARG 69 2HH2 ARG 69 0.671 -3.404 -11.090 521 2HH1 ARG 69 1HH2 ARG 69 1.252 -4.962 -11.573 522 1HH2 ARG 69 2HH1 ARG 69 -0.261 -4.866 -14.753 523 2HH2 ARG 69 1HH1 ARG 69 0.719 -5.800 -13.671 524 H ALA 70 H ALA 70 -2.801 2.956 -12.425 525 HA ALA 70 HA ALA 70 -0.728 3.504 -14.170 526 1HB ALA 70 1HB ALA 70 -3.136 4.232 -14.327 527 2HB ALA 70 2HB ALA 70 -2.793 5.457 -13.082 528 3HB ALA 70 3HB ALA 70 -1.963 5.530 -14.655 529 H TRP 71 H TRP 71 -1.269 4.456 -10.789 530 HA TRP 71 HA TRP 71 0.679 6.541 -10.830 531 1HB TRP 71 1HB TRP 71 -1.136 6.650 -9.272 532 2HB TRP 71 2HB TRP 71 -0.743 5.078 -8.605 533 HD1 TRP 71 HD1 TRP 71 0.600 8.710 -8.604 534 HE1 TRP 71 HE1 TRP 71 2.192 9.129 -6.542 535 HE3 TRP 71 HE3 TRP 71 0.699 3.876 -7.028 536 HZ2 TRP 71 HZ2 TRP 71 3.290 7.431 -4.528 537 HZ3 TRP 71 HZ3 TRP 71 2.055 3.342 -5.006 538 HH2 TRP 71 HH2 TRP 71 3.321 5.026 -3.768 539 H LEU 72 H LEU 72 0.550 3.023 -10.198 540 HA LEU 72 HA LEU 72 3.079 2.839 -8.976 541 1HB LEU 72 1HB LEU 72 1.248 0.880 -10.340 542 2HB LEU 72 2HB LEU 72 2.821 0.399 -9.736 543 HG LEU 72 HG LEU 72 0.710 1.696 -7.997 544 1HD1 LEU 72 1HD1 LEU 72 0.051 -0.536 -9.096 545 2HD1 LEU 72 2HD1 LEU 72 1.282 -1.261 -8.034 546 3HD1 LEU 72 3HD1 LEU 72 -0.099 -0.386 -7.329 547 1HD2 LEU 72 1HD2 LEU 72 2.449 1.884 -6.609 548 2HD2 LEU 72 2HD2 LEU 72 2.316 0.120 -6.409 549 3HD2 LEU 72 3HD2 LEU 72 3.467 0.798 -7.586 550 H ASP 73 H ASP 73 1.927 2.586 -12.386 551 HA ASP 73 HA ASP 73 4.534 1.988 -13.311 552 1HB ASP 73 1HB ASP 73 1.826 2.205 -14.388 553 2HB ASP 73 2HB ASP 73 2.954 3.030 -15.445 554 H ALA 74 H ALA 74 3.053 4.775 -12.094 555 HA ALA 74 HA ALA 74 4.211 6.638 -13.981 556 1HB ALA 74 1HB ALA 74 2.066 7.244 -13.145 557 2HB ALA 74 2HB ALA 74 2.528 6.870 -11.467 558 3HB ALA 74 3HB ALA 74 3.219 8.292 -12.284 559 H ALA 75 H ALA 75 5.015 4.970 -11.007 560 HA ALA 75 HA ALA 75 6.605 6.617 -9.626 561 1HB ALA 75 1HB ALA 75 6.336 3.786 -10.047 562 2HB ALA 75 2HB ALA 75 8.069 4.183 -9.953 563 3HB ALA 75 3HB ALA 75 6.977 4.643 -8.625 564 HA PRO 76 HA PRO 76 10.110 6.130 -12.756 565 1HB PRO 76 1HB PRO 76 9.714 4.779 -15.098 566 2HB PRO 76 2HB PRO 76 10.410 4.038 -13.671 567 1HG PRO 76 1HG PRO 76 7.690 3.722 -14.786 568 2HG PRO 76 2HG PRO 76 8.533 2.697 -13.642 569 1HD PRO 76 1HD PRO 76 6.458 4.585 -13.048 570 2HD PRO 76 2HD PRO 76 7.381 3.645 -11.893 571 H HIS 77 H HIS 77 10.852 7.128 -14.894 572 HA HIS 77 HA HIS 77 8.672 8.902 -15.725 573 1HB HIS 77 1HB HIS 77 11.562 9.737 -15.746 574 2HB HIS 77 2HB HIS 77 10.125 10.738 -15.787 575 HD1 HIS 77 HD1 HIS 77 8.664 10.720 -13.445 576 HD2 HIS 77 HD2 HIS 77 12.643 9.405 -13.244 577 HE1 HIS 77 HE1 HIS 77 9.327 10.820 -10.983 578 H ALA 78 H ALA 78 8.039 8.326 -17.742 579 HA ALA 78 HA ALA 78 10.170 7.810 -19.686 580 1HB ALA 78 1HB ALA 78 9.344 5.626 -19.020 581 2HB ALA 78 2HB ALA 78 7.657 6.157 -19.219 582 3HB ALA 78 3HB ALA 78 8.714 5.999 -20.642