============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 5 1.000 3.117 11.404 -7.209 -99.200 -91.000 TYR 9 0.840 1.025 6.705 3.046 -99.200 -91.000 PHE 10 1.000 7.014 9.704 3.002 -99.200 -91.000 HIS 17 0.900 4.611 7.566 13.671 -99.200 -91.000 HIS 28 0.900 11.329 15.219 21.840 -99.200 -91.000 TYR 33 0.840 8.401 9.909 8.605 -99.200 -91.000 TYR 34 0.840 13.259 16.712 7.962 -99.200 -91.000 HIS 58 0.900 9.085 19.823 -2.735 -99.200 -91.000 TYR 63 0.840 10.031 21.551 10.828 -99.200 -91.000 HIS 75 0.900 0.068 35.716 20.618 -99.200 -91.000 HIS 76 0.900 6.479 38.783 19.862 -99.200 -91.000 HIS 77 0.900 8.322 35.117 14.902 -99.200 -91.000 HIS 78 0.900 13.161 38.664 22.514 -99.200 -91.000 HIS 79 0.900 8.720 36.653 27.445 -99.200 -91.000 HIS 80 0.900 6.863 43.041 27.176 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2js1A9 MET 1 HA 0.00 -0.09 0.19 -0.75 4.52 3.87 2js1A9 MET 1 HB2 0.01 -0.01 0.10 -0.04 2.15 2.21 2js1A9 MET 1 HB3 0.02 -0.02 0.01 -0.04 2.03 2.00 2js1A9 MET 1 HG2 0.01 0.00 0.04 -0.04 2.63 2.64 2js1A9 MET 1 HG3 0.01 -0.00 0.02 -0.04 2.56 2.55 2js1A9 MET 1 HE3 0.02 0.00 -0.01 -0.04 2.10 2.07 2js1A9 SER 2 H -0.01 0.06 0.08 -0.55 8.46 8.04 2js1A9 SER 2 HA -0.05 0.01 0.31 -0.75 4.49 4.01 2js1A9 SER 2 HB2 -0.04 0.01 -0.08 -0.04 3.95 3.79 2js1A9 SER 2 HB3 -0.07 0.20 -0.11 -0.04 3.93 3.91 2js1A9 GLU 3 H -0.21 0.12 0.03 -0.55 8.60 8.00 2js1A9 GLU 3 HA -0.02 0.14 0.61 -0.75 4.29 4.27 2js1A9 GLU 3 HB2 -0.04 0.17 -0.20 -0.04 2.09 1.98 2js1A9 GLU 3 HB3 -0.06 -0.02 0.13 -0.04 1.99 2.00 2js1A9 GLU 3 HG2 0.08 -0.23 -0.05 -0.04 2.34 2.10 2js1A9 GLU 3 HG3 0.03 0.08 0.08 -0.04 2.34 2.48 2js1A9 LEU 4 H -0.00 0.31 0.07 -0.55 8.37 8.20 2js1A9 LEU 4 HA -0.09 0.13 0.58 -0.75 4.35 4.22 2js1A9 LEU 4 HB2 0.50 0.03 0.11 -0.04 1.64 2.23 2js1A9 LEU 4 HB3 0.14 0.01 0.05 -0.04 1.64 1.81 2js1A9 LEU 4 HG 0.11 -0.06 -0.06 -0.04 1.64 1.59 2js1A9 LEU 4 HD13 0.17 0.01 -0.15 -0.04 0.93 0.92 2js1A9 LEU 4 HD23 0.13 0.03 -0.02 -0.04 0.89 0.98 2js1A9 PHE 5 H 0.16 0.00 -0.46 -0.55 8.34 7.49 2js1A9 PHE 5 HA -0.00 0.08 0.30 -0.75 4.62 4.25 2js1A9 PHE 5 HB2 -0.01 0.02 0.06 -0.04 3.15 3.18 2js1A9 PHE 5 HB3 -0.01 -0.03 0.01 -0.04 3.06 2.99 2js1A9 PHE 5 HD2 -0.01 -0.01 -0.13 -0.04 7.28 7.09 2js1A9 PHE 5 HE2 -0.01 -0.00 -0.03 -0.04 7.38 7.29 2js1A9 PHE 5 HZ -0.01 -0.00 -0.02 -0.04 7.32 7.25 2js1A9 SER 6 H 0.17 0.11 -0.27 -0.55 8.46 7.93 2js1A9 SER 6 HA 0.04 0.03 0.42 -0.75 4.49 4.23 2js1A9 SER 6 HB2 0.10 0.02 0.07 -0.04 3.95 4.10 2js1A9 SER 6 HB3 0.13 0.05 0.09 -0.04 3.93 4.16 2js1A9 VAL 7 H -0.07 0.13 0.22 -0.55 8.24 7.98 2js1A9 VAL 7 HA -0.11 0.15 0.49 -0.75 4.13 3.91 2js1A9 VAL 7 HB -0.04 0.01 0.05 -0.04 2.12 2.10 2js1A9 VAL 7 HG13 -0.06 0.00 -0.01 -0.04 0.97 0.86 2js1A9 VAL 7 HG23 -0.17 0.03 0.11 -0.04 0.95 0.88 2js1A9 PRO 8 HA 0.04 0.07 0.34 -0.51 4.44 4.38 2js1A9 PRO 8 HB2 0.08 0.06 -0.07 -0.04 2.28 2.30 2js1A9 PRO 8 HB3 0.03 0.07 0.07 -0.04 2.02 2.15 2js1A9 PRO 8 HG2 0.04 0.08 0.04 -0.04 2.03 2.14 2js1A9 PRO 8 HG3 0.02 0.08 0.06 -0.04 2.03 2.14 2js1A9 PRO 8 HD2 0.06 0.01 -0.05 -0.04 3.68 3.65 2js1A9 PRO 8 HD3 0.00 0.10 0.19 -0.04 3.65 3.90 2js1A9 TYR 9 H 0.22 0.24 -0.74 -0.55 8.29 7.46 2js1A9 TYR 9 HA 0.06 0.03 0.36 -0.75 4.56 4.25 2js1A9 TYR 9 HB2 0.09 -0.03 0.07 -0.04 3.06 3.15 2js1A9 TYR 9 HB3 0.18 0.32 0.08 -0.04 2.98 3.52 2js1A9 TYR 9 HD2 0.18 0.03 -0.03 -0.04 7.15 7.30 2js1A9 TYR 9 HE2 0.05 0.01 -0.05 -0.04 6.85 6.81 2js1A9 PHE 10 H 0.36 0.43 -0.15 -0.55 8.34 8.43 2js1A9 PHE 10 HA -0.17 0.06 0.40 -0.75 4.62 4.16 2js1A9 PHE 10 HB2 0.05 0.23 0.22 -0.04 3.15 3.60 2js1A9 PHE 10 HB3 0.05 -0.05 -0.02 -0.04 3.06 2.99 2js1A9 PHE 10 HD2 0.25 -0.04 0.00 -0.04 7.28 7.45 2js1A9 PHE 10 HE2 0.13 -0.01 0.00 -0.04 7.38 7.46 2js1A9 PHE 10 HZ 0.08 0.00 -0.01 -0.04 7.32 7.35 2js1A9 ILE 11 H 0.06 0.27 -0.30 -0.55 8.25 7.73 2js1A9 ILE 11 HA -0.13 0.03 0.46 -0.75 4.18 3.79 2js1A9 ILE 11 HB -0.02 0.15 0.14 -0.04 1.89 2.12 2js1A9 ILE 11 HG12 0.03 -0.06 0.03 -0.04 1.49 1.45 2js1A9 ILE 11 HG13 0.05 0.07 0.04 -0.04 1.21 1.33 2js1A9 ILE 11 HG23 -0.06 -0.01 -0.05 -0.04 0.93 0.78 2js1A9 ILE 11 HD13 0.01 0.01 -0.05 -0.04 0.88 0.80 2js1A9 GLU 12 H -0.10 0.57 -0.07 -0.55 8.60 8.46 2js1A9 GLU 12 HA -0.11 -0.02 0.34 -0.75 4.29 3.75 2js1A9 GLU 12 HB2 -0.18 0.23 0.14 -0.04 2.09 2.23 2js1A9 GLU 12 HB3 -0.09 -0.04 0.05 -0.04 1.99 1.88 2js1A9 GLU 12 HG2 -0.02 -0.04 0.04 -0.04 2.34 2.29 2js1A9 GLU 12 HG3 -0.01 0.19 0.07 -0.04 2.34 2.56 2js1A9 ASN 13 H -0.37 0.29 -0.92 -0.55 8.53 6.98 2js1A9 ASN 13 HA -0.38 0.04 0.50 -0.75 4.76 4.17 2js1A9 ASN 13 HB2 -0.59 0.22 0.11 -0.04 2.88 2.58 2js1A9 ASN 13 HB3 -0.35 -0.05 0.05 -0.04 2.79 2.39 2js1A9 ASN 13 HD21 -0.57 0.00 0.08 -0.04 7.03 6.50 2js1A9 ASN 13 HD22 -0.81 -0.06 -0.07 -0.04 7.74 6.75 2js1A9 LEU 14 H -0.41 0.55 0.01 -0.55 8.37 7.97 2js1A9 LEU 14 HA -0.44 0.04 0.50 -0.75 4.35 3.69 2js1A9 LEU 14 HB2 -0.17 0.08 0.11 -0.04 1.64 1.62 2js1A9 LEU 14 HB3 -0.11 -0.08 0.05 -0.04 1.64 1.45 2js1A9 LEU 14 HG -0.45 0.19 0.23 -0.04 1.64 1.57 2js1A9 LEU 14 HD13 -0.10 -0.02 -0.04 -0.04 0.93 0.72 2js1A9 LEU 14 HD23 -0.63 -0.02 -0.09 -0.04 0.89 0.11 2js1A9 LYS 15 H -0.22 0.44 -0.15 -0.55 8.42 7.94 2js1A9 LYS 15 HA -0.08 0.05 0.36 -0.75 4.32 3.90 2js1A9 LYS 15 HB2 -0.11 0.15 0.08 -0.04 1.87 1.95 2js1A9 LYS 15 HB3 -0.06 0.00 0.01 -0.04 1.79 1.70 2js1A9 LYS 15 HG2 -0.11 0.09 -0.07 -0.04 1.46 1.33 2js1A9 LYS 15 HG3 -0.07 -0.01 -0.04 -0.04 1.46 1.30 2js1A9 LYS 15 HD2 -0.05 0.02 -0.00 -0.04 1.69 1.62 2js1A9 LYS 15 HD3 -0.06 -0.03 -0.07 -0.04 1.68 1.48 2js1A9 LYS 15 HE2 -0.05 -0.04 -0.10 -0.04 2.99 2.76 2js1A9 LYS 15 HE3 -0.04 -0.01 -0.05 -0.04 2.99 2.85 2js1A9 GLN 16 H -0.23 0.32 -0.40 -0.55 8.47 7.62 2js1A9 GLN 16 HA -0.04 0.04 0.41 -0.75 4.36 4.02 2js1A9 GLN 16 HB2 -0.09 0.04 0.10 -0.04 2.15 2.16 2js1A9 GLN 16 HB3 -0.17 0.18 0.07 -0.04 2.02 2.05 2js1A9 GLN 16 HG2 0.07 -0.08 -0.13 -0.04 2.40 2.22 2js1A9 GLN 16 HG3 0.00 -0.03 0.07 -0.04 2.39 2.39 2js1A9 GLN 16 HE21 0.04 -0.06 -0.01 -0.04 6.97 6.90 2js1A9 GLN 16 HE22 0.03 0.01 -0.00 -0.04 7.69 7.68 2js1A9 HIS 17 H -0.27 0.25 -0.44 -0.55 8.41 7.41 2js1A9 HIS 17 HA -0.01 -0.16 0.33 -0.75 4.63 4.04 2js1A9 HIS 17 HB2 -0.03 0.14 0.22 -0.04 3.26 3.55 2js1A9 HIS 17 HB3 0.00 -0.07 0.04 -0.04 3.20 3.12 2js1A9 HIS 17 HD2 -0.06 -0.10 -0.04 -0.04 6.97 6.73 2js1A9 HIS 17 HE1 -0.03 -0.04 -0.01 -0.04 7.75 7.62 2js1A9 ILE 18 H 0.05 0.47 -0.03 -0.55 8.25 8.18 2js1A9 ILE 18 HA 0.05 0.06 0.44 -0.75 4.18 3.98 2js1A9 ILE 18 HB 0.02 -0.05 -0.00 -0.04 1.89 1.81 2js1A9 ILE 18 HG12 -0.02 0.12 0.21 -0.04 1.49 1.75 2js1A9 ILE 18 HG13 -0.01 0.08 -0.00 -0.04 1.21 1.24 2js1A9 ILE 18 HG23 0.03 0.02 0.03 -0.04 0.93 0.97 2js1A9 ILE 18 HD13 -0.02 -0.03 -0.04 -0.04 0.88 0.75 2js1A9 GLU 19 H 0.00 0.46 -0.18 -0.55 8.60 8.34 2js1A9 GLU 19 HA 0.00 -0.02 0.37 -0.75 4.29 3.89 2js1A9 GLU 19 HB2 -0.01 0.07 0.12 -0.04 2.09 2.23 2js1A9 GLU 19 HB3 -0.00 -0.07 0.15 -0.04 1.99 2.02 2js1A9 GLU 19 HG2 -0.00 -0.07 -0.04 -0.04 2.34 2.19 2js1A9 GLU 19 HG3 0.00 0.00 -0.21 -0.04 2.34 2.10 2js1A9 MET 20 H 0.03 0.40 -0.27 -0.55 8.47 8.08 2js1A9 MET 20 HA 0.02 0.16 0.77 -0.75 4.52 4.72 2js1A9 MET 20 HB2 0.03 0.04 0.17 -0.04 2.15 2.36 2js1A9 MET 20 HB3 0.02 -0.04 0.11 -0.04 2.03 2.07 2js1A9 MET 20 HG2 0.01 0.07 -0.12 -0.04 2.63 2.55 2js1A9 MET 20 HG3 0.01 -0.03 -0.15 -0.04 2.56 2.34 2js1A9 MET 20 HE3 0.01 -0.01 0.00 -0.04 2.10 2.07 2js1A9 ASN 21 H 0.03 0.06 0.01 -0.55 8.53 8.08 2js1A9 ASN 21 HA 0.02 0.21 0.39 -0.75 4.76 4.63 2js1A9 ASN 21 HB2 0.01 0.28 -0.14 -0.04 2.88 3.00 2js1A9 ASN 21 HB3 0.01 -0.05 0.04 -0.04 2.79 2.75 2js1A9 ASN 21 HD21 -0.00 0.01 0.05 -0.04 7.03 7.05 2js1A9 ASN 21 HD22 -0.01 0.02 0.06 -0.04 7.74 7.76 2js1A9 GLN 22 H 0.06 0.28 0.00 -0.55 8.47 8.26 2js1A9 GLN 22 HA 0.01 0.10 0.45 -0.75 4.36 4.17 2js1A9 GLN 22 HB2 0.09 -0.01 0.07 -0.04 2.15 2.26 2js1A9 GLN 22 HB3 0.08 0.03 0.10 -0.04 2.02 2.18 2js1A9 GLN 22 HG2 0.06 -0.00 0.04 -0.04 2.40 2.47 2js1A9 GLN 22 HG3 0.02 0.04 0.08 -0.04 2.39 2.48 2js1A9 GLN 22 HE21 0.02 -0.01 -0.01 -0.04 6.97 6.92 2js1A9 GLN 22 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 2js1A9 SER 23 H -0.02 0.77 -0.45 -0.55 8.46 8.21 2js1A9 SER 23 HA -0.03 0.03 0.30 -0.75 4.49 4.03 2js1A9 SER 23 HB2 -0.05 0.12 0.40 -0.04 3.95 4.38 2js1A9 SER 23 HB3 -0.03 -0.04 0.14 -0.04 3.93 3.95 2js1A9 GLU 24 H -0.05 0.10 -0.16 -0.55 8.60 7.94 2js1A9 GLU 24 HA -0.06 0.13 0.46 -0.75 4.29 4.06 2js1A9 GLU 24 HB2 -0.34 0.13 -0.49 -0.04 2.09 1.34 2js1A9 GLU 24 HB3 -0.12 0.07 0.02 -0.04 1.99 1.92 2js1A9 GLU 24 HG2 -0.10 -0.01 0.05 -0.04 2.34 2.24 2js1A9 GLU 24 HG3 -0.01 -0.05 0.03 -0.04 2.34 2.26 2js1A9 ASP 25 H 0.01 0.23 0.05 -0.55 8.40 8.14 2js1A9 ASP 25 HA 0.02 0.19 0.51 -0.75 4.63 4.60 2js1A9 ASP 25 HB2 0.09 -0.05 -0.35 -0.04 2.71 2.36 2js1A9 ASP 25 HB3 0.07 -0.23 0.08 -0.04 2.70 2.59 2js1A9 LYS 26 H 0.09 0.09 0.07 -0.55 8.42 8.11 2js1A9 LYS 26 HA 0.06 0.30 0.58 -0.75 4.32 4.51 2js1A9 LYS 26 HB2 0.06 0.15 0.16 -0.04 1.87 2.19 2js1A9 LYS 26 HB3 0.10 -0.21 0.29 -0.04 1.79 1.93 2js1A9 LYS 26 HG2 0.04 -0.04 0.03 -0.04 1.46 1.44 2js1A9 LYS 26 HG3 0.03 0.16 0.06 -0.04 1.46 1.68 2js1A9 LYS 26 HD2 0.03 0.07 0.06 -0.04 1.69 1.82 2js1A9 LYS 26 HD3 0.04 -0.08 0.08 -0.04 1.68 1.69 2js1A9 LYS 26 HE2 0.02 0.09 0.01 -0.04 2.99 3.07 2js1A9 LYS 26 HE3 0.02 0.01 0.03 -0.04 2.99 3.01 2js1A9 ILE 27 H 0.08 0.20 0.16 -0.55 8.25 8.15 2js1A9 ILE 27 HA 0.01 0.16 0.47 -0.75 4.18 4.07 2js1A9 ILE 27 HB -0.01 0.08 0.15 -0.04 1.89 2.07 2js1A9 ILE 27 HG12 -0.16 -0.02 -0.09 -0.04 1.49 1.18 2js1A9 ILE 27 HG13 -0.03 -0.02 0.10 -0.04 1.21 1.22 2js1A9 ILE 27 HG23 -0.18 0.00 0.02 -0.04 0.93 0.74 2js1A9 ILE 27 HD13 -0.03 0.03 0.04 -0.04 0.88 0.87 2js1A9 HIS 28 H 0.20 0.08 -0.25 -0.55 8.41 7.90 2js1A9 HIS 28 HA 0.04 0.08 0.37 -0.75 4.63 4.37 2js1A9 HIS 28 HB2 0.02 -0.02 -0.05 -0.04 3.26 3.18 2js1A9 HIS 28 HB3 0.02 0.06 0.09 -0.04 3.20 3.32 2js1A9 HIS 28 HD2 0.02 0.02 -0.00 -0.04 6.97 6.96 2js1A9 HIS 28 HE1 0.01 0.05 0.01 -0.04 7.75 7.78 2js1A9 ALA 29 H 0.09 0.27 -1.38 -0.55 8.40 6.83 2js1A9 ALA 29 HA 0.11 0.06 0.47 -0.75 4.34 4.22 2js1A9 ALA 29 HB3 0.13 0.10 0.03 -0.04 1.41 1.62 2js1A9 MET 30 H 0.10 0.35 0.02 -0.55 8.47 8.39 2js1A9 MET 30 HA 0.22 0.06 0.43 -0.75 4.52 4.48 2js1A9 MET 30 HB2 0.19 -0.01 0.02 -0.04 2.15 2.31 2js1A9 MET 30 HB3 0.13 0.05 0.15 -0.04 2.03 2.31 2js1A9 MET 30 HG2 0.06 0.05 0.24 -0.04 2.63 2.94 2js1A9 MET 30 HG3 0.07 -0.23 0.23 -0.04 2.56 2.58 2js1A9 MET 30 HE3 0.05 -0.01 -0.02 -0.04 2.10 2.08 2js1A9 ASN 31 H 0.09 0.21 -0.17 -0.55 8.53 8.10 2js1A9 ASN 31 HA 0.09 0.05 0.30 -0.75 4.76 4.45 2js1A9 ASN 31 HB2 0.01 0.02 0.06 -0.04 2.88 2.93 2js1A9 ASN 31 HB3 0.08 0.05 0.01 -0.04 2.79 2.90 2js1A9 ASN 31 HD21 0.09 0.02 -0.12 -0.04 7.03 6.98 2js1A9 ASN 31 HD22 0.05 0.01 -0.09 -0.04 7.74 7.68 2js1A9 SER 32 H 0.13 0.25 -0.44 -0.55 8.46 7.85 2js1A9 SER 32 HA 0.07 0.05 0.42 -0.75 4.49 4.27 2js1A9 SER 32 HB2 0.07 0.00 0.09 -0.04 3.95 4.06 2js1A9 SER 32 HB3 0.10 0.08 0.19 -0.04 3.93 4.26 2js1A9 TYR 33 H 0.24 0.75 0.03 -0.55 8.29 8.75 2js1A9 TYR 33 HA 0.04 0.04 0.43 -0.75 4.56 4.32 2js1A9 TYR 33 HB2 0.11 0.03 0.11 -0.04 3.06 3.28 2js1A9 TYR 33 HB3 0.13 -0.03 0.16 -0.04 2.98 3.20 2js1A9 TYR 33 HD2 0.11 0.02 -0.17 -0.04 7.15 7.06 2js1A9 TYR 33 HE2 0.00 -0.01 -0.04 -0.04 6.85 6.76 2js1A9 TYR 34 H 0.39 0.99 0.07 -0.55 8.29 9.20 2js1A9 TYR 34 HA 0.19 -0.03 0.38 -0.75 4.56 4.35 2js1A9 TYR 34 HB2 0.18 -0.08 0.07 -0.04 3.06 3.19 2js1A9 TYR 34 HB3 0.07 0.04 0.06 -0.04 2.98 3.11 2js1A9 TYR 34 HD2 0.09 0.01 -0.11 -0.04 7.15 7.10 2js1A9 TYR 34 HE2 0.04 -0.01 -0.18 -0.04 6.85 6.66 2js1A9 ARG 35 H 0.17 0.55 -0.26 -0.55 8.46 8.37 2js1A9 ARG 35 HA -0.02 -0.04 0.44 -0.75 4.34 3.98 2js1A9 ARG 35 HB2 0.09 0.03 0.16 -0.04 1.90 2.14 2js1A9 ARG 35 HB3 0.04 0.13 0.16 -0.04 1.80 2.08 2js1A9 ARG 35 HG2 -0.01 -0.01 -0.13 -0.04 1.67 1.48 2js1A9 ARG 35 HG3 0.02 -0.07 0.06 -0.04 1.67 1.64 2js1A9 ARG 35 HD2 0.03 -0.02 -0.00 -0.04 3.22 3.19 2js1A9 ARG 35 HD3 0.02 0.02 -0.02 -0.04 3.22 3.20 2js1A9 SER 36 H -0.06 0.53 -0.24 -0.55 8.46 8.14 2js1A9 SER 36 HA -0.09 -0.01 0.41 -0.75 4.49 4.05 2js1A9 SER 36 HB2 -0.14 -0.07 0.08 -0.04 3.95 3.78 2js1A9 SER 36 HB3 -0.10 0.15 0.17 -0.04 3.93 4.11 2js1A9 VAL 37 H -0.30 0.62 -0.13 -0.55 8.24 7.89 2js1A9 VAL 37 HA -0.13 0.04 0.50 -0.75 4.13 3.79 2js1A9 VAL 37 HB -0.19 0.09 0.17 -0.04 2.12 2.15 2js1A9 VAL 37 HG13 0.08 -0.02 -0.08 -0.04 0.97 0.92 2js1A9 VAL 37 HG23 -0.40 0.05 0.03 -0.04 0.95 0.58 2js1A9 VAL 38 H -0.28 0.67 0.02 -0.55 8.24 8.09 2js1A9 VAL 38 HA -0.17 -0.03 0.36 -0.75 4.13 3.54 2js1A9 VAL 38 HB -0.18 0.09 0.21 -0.04 2.12 2.20 2js1A9 VAL 38 HG13 -0.06 -0.02 -0.11 -0.04 0.97 0.73 2js1A9 VAL 38 HG23 -0.55 0.01 0.05 -0.04 0.95 0.41 2js1A9 SER 39 H -0.10 0.64 -0.21 -0.55 8.46 8.25 2js1A9 SER 39 HA -0.04 -0.03 0.38 -0.75 4.49 4.05 2js1A9 SER 39 HB2 -0.04 0.06 0.13 -0.04 3.95 4.05 2js1A9 SER 39 HB3 -0.05 0.13 0.07 -0.04 3.93 4.03 2js1A9 THR 40 H -0.07 0.32 -0.40 -0.55 8.28 7.58 2js1A9 THR 40 HA -0.03 0.15 0.52 -0.75 4.39 4.28 2js1A9 THR 40 HB -0.03 0.06 0.24 -0.04 4.32 4.54 2js1A9 THR 40 HG23 0.00 -0.02 -0.08 -0.04 1.22 1.08 2js1A9 LEU 41 H -0.05 0.83 0.07 -0.55 8.37 8.67 2js1A9 LEU 41 HA -0.02 -0.03 0.32 -0.75 4.35 3.86 2js1A9 LEU 41 HB2 -0.06 0.12 0.12 -0.04 1.64 1.78 2js1A9 LEU 41 HB3 -0.05 -0.09 0.06 -0.04 1.64 1.52 2js1A9 LEU 41 HG -0.04 0.16 -0.02 -0.04 1.64 1.70 2js1A9 LEU 41 HD13 -0.08 -0.01 -0.15 -0.04 0.93 0.65 2js1A9 LEU 41 HD23 -0.03 -0.03 0.00 -0.04 0.89 0.79 2js1A9 VAL 42 H -0.04 0.37 -0.57 -0.55 8.24 7.46 2js1A9 VAL 42 HA -0.02 -0.02 0.62 -0.75 4.13 3.95 2js1A9 VAL 42 HB -0.03 0.14 0.07 -0.04 2.12 2.26 2js1A9 VAL 42 HG13 -0.02 -0.04 -0.03 -0.04 0.97 0.85 2js1A9 VAL 42 HG23 -0.03 0.03 -0.02 -0.04 0.95 0.88 2js1A9 GLN 43 H -0.02 0.37 -0.16 -0.55 8.47 8.12 2js1A9 GLN 43 HA -0.01 0.02 0.84 -0.75 4.36 4.46 2js1A9 GLN 43 HB2 -0.02 0.16 0.29 -0.04 2.15 2.54 2js1A9 GLN 43 HB3 -0.01 -0.10 0.13 -0.04 2.02 2.00 2js1A9 GLN 43 HG2 -0.01 -0.04 -0.03 -0.04 2.40 2.28 2js1A9 GLN 43 HG3 -0.02 -0.03 -0.11 -0.04 2.39 2.20 2js1A9 GLN 43 HE21 -0.01 -0.02 -0.00 -0.04 6.97 6.90 2js1A9 GLN 43 HE22 -0.01 -0.04 0.00 -0.04 7.69 7.60 2js1A9 ASP 44 H -0.01 0.18 -0.18 -0.55 8.40 7.85 2js1A9 ASP 44 HA -0.00 -0.08 0.33 -0.75 4.63 4.13 2js1A9 ASP 44 HB2 0.00 0.11 0.41 -0.04 2.71 3.19 2js1A9 ASP 44 HB3 -0.00 0.22 -0.25 -0.04 2.70 2.63 2js1A9 GLN 45 H 0.00 0.16 0.05 -0.55 8.47 8.14 2js1A9 GLN 45 HA 0.01 0.03 0.36 -0.75 4.36 4.01 2js1A9 GLN 45 HB2 0.01 -0.00 -0.11 -0.04 2.15 2.00 2js1A9 GLN 45 HB3 0.00 0.23 0.18 -0.04 2.02 2.39 2js1A9 GLN 45 HG2 0.00 -0.14 -0.23 -0.04 2.40 1.99 2js1A9 GLN 45 HG3 0.01 0.02 -0.04 -0.04 2.39 2.34 2js1A9 GLN 45 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.87 2js1A9 GLN 45 HE22 0.02 0.01 -0.03 -0.04 7.69 7.65 2js1A9 LEU 46 H -0.00 0.90 0.17 -0.55 8.37 8.89 2js1A9 LEU 46 HA -0.01 -0.00 0.35 -0.75 4.35 3.94 2js1A9 LEU 46 HB2 -0.00 0.07 -0.34 -0.04 1.64 1.33 2js1A9 LEU 46 HB3 -0.00 -0.04 0.12 -0.04 1.64 1.68 2js1A9 LEU 46 HG -0.01 0.04 -0.10 -0.04 1.64 1.53 2js1A9 LEU 46 HD13 -0.00 -0.00 -0.04 -0.04 0.93 0.84 2js1A9 LEU 46 HD23 -0.01 0.04 0.07 -0.04 0.89 0.96 2js1A9 THR 47 H -0.00 0.05 0.05 -0.55 8.28 7.83 2js1A9 THR 47 HA 0.00 0.26 0.78 -0.75 4.39 4.68 2js1A9 THR 47 HB 0.01 0.07 -0.04 -0.04 4.32 4.31 2js1A9 THR 47 HG23 0.00 -0.01 0.03 -0.04 1.22 1.20 2js1A9 LYS 48 H -0.00 0.08 0.12 -0.55 8.42 8.05 2js1A9 LYS 48 HA -0.00 0.14 0.41 -0.75 4.32 4.12 2js1A9 LYS 48 HB2 -0.00 0.39 0.02 -0.04 1.87 2.23 2js1A9 LYS 48 HB3 -0.00 -0.15 -0.05 -0.04 1.79 1.55 2js1A9 LYS 48 HG2 -0.01 -0.44 -0.02 -0.04 1.46 0.95 2js1A9 LYS 48 HG3 -0.00 0.07 0.18 -0.04 1.46 1.66 2js1A9 LYS 48 HD2 -0.00 0.03 0.05 -0.04 1.69 1.72 2js1A9 LYS 48 HD3 0.00 0.14 0.05 -0.04 1.68 1.83 2js1A9 LYS 48 HE2 0.00 0.07 -0.03 -0.04 2.99 2.99 2js1A9 LYS 48 HE3 -0.00 -0.21 -0.02 -0.04 2.99 2.72 2js1A9 ASN 49 H -0.01 0.25 0.15 -0.55 8.53 8.37 2js1A9 ASN 49 HA -0.01 0.15 0.44 -0.75 4.76 4.58 2js1A9 ASN 49 HB2 -0.01 -0.03 0.14 -0.04 2.88 2.95 2js1A9 ASN 49 HB3 -0.01 0.06 0.04 -0.04 2.79 2.84 2js1A9 ASN 49 HD21 -0.01 0.07 0.03 -0.04 7.03 7.08 2js1A9 ASN 49 HD22 -0.01 0.00 0.06 -0.04 7.74 7.75 2js1A9 ALA 50 H -0.01 0.10 -0.09 -0.55 8.40 7.85 2js1A9 ALA 50 HA -0.02 0.10 0.40 -0.75 4.34 4.06 2js1A9 ALA 50 HB3 -0.01 0.04 0.04 -0.04 1.41 1.44 2js1A9 VAL 51 H -0.01 0.04 -0.34 -0.55 8.24 7.37 2js1A9 VAL 51 HA -0.02 0.07 0.35 -0.75 4.13 3.78 2js1A9 VAL 51 HB -0.01 0.07 0.19 -0.04 2.12 2.32 2js1A9 VAL 51 HG13 -0.01 0.02 -0.09 -0.04 0.97 0.85 2js1A9 VAL 51 HG23 0.00 0.00 -0.01 -0.04 0.95 0.90 2js1A9 VAL 52 H -0.02 0.39 0.04 -0.55 8.24 8.10 2js1A9 VAL 52 HA -0.04 0.04 0.39 -0.75 4.13 3.77 2js1A9 VAL 52 HB -0.03 0.01 -0.07 -0.04 2.12 2.00 2js1A9 VAL 52 HG13 -0.02 -0.00 0.20 -0.04 0.97 1.11 2js1A9 VAL 52 HG23 -0.02 0.02 0.11 -0.04 0.95 1.01 2js1A9 LEU 53 H -0.04 0.53 -0.34 -0.55 8.37 7.98 2js1A9 LEU 53 HA -0.05 0.01 0.43 -0.75 4.35 3.98 2js1A9 LEU 53 HB2 -0.03 0.06 0.11 -0.04 1.64 1.74 2js1A9 LEU 53 HB3 -0.05 0.05 0.23 -0.04 1.64 1.83 2js1A9 LEU 53 HG -0.07 -0.03 -0.22 -0.04 1.64 1.28 2js1A9 LEU 53 HD13 -0.03 -0.02 0.04 -0.04 0.93 0.88 2js1A9 LEU 53 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.78 2js1A9 LYS 54 H -0.09 0.86 0.06 -0.55 8.42 8.70 2js1A9 LYS 54 HA -0.36 -0.04 0.39 -0.75 4.32 3.56 2js1A9 LYS 54 HB2 -0.07 0.19 0.21 -0.04 1.87 2.15 2js1A9 LYS 54 HB3 -0.14 -0.06 0.04 -0.04 1.79 1.59 2js1A9 LYS 54 HG2 -0.06 -0.06 0.05 -0.04 1.46 1.36 2js1A9 LYS 54 HG3 -0.07 0.05 0.15 -0.04 1.46 1.54 2js1A9 LYS 54 HD2 -0.00 -0.08 -0.08 -0.04 1.69 1.48 2js1A9 LYS 54 HD3 -0.02 -0.01 -0.23 -0.04 1.68 1.38 2js1A9 LYS 54 HE2 0.04 0.03 -0.01 -0.04 2.99 3.01 2js1A9 LYS 54 HE3 0.07 -0.01 -0.01 -0.04 2.99 2.99 2js1A9 ARG 55 H -0.10 0.49 -0.39 -0.55 8.46 7.91 2js1A9 ARG 55 HA -0.03 -0.00 0.47 -0.75 4.34 4.02 2js1A9 ARG 55 HB2 -0.06 0.25 0.16 -0.04 1.90 2.22 2js1A9 ARG 55 HB3 -0.07 -0.06 0.05 -0.04 1.80 1.68 2js1A9 ARG 55 HG2 -0.05 0.05 0.02 -0.04 1.67 1.65 2js1A9 ARG 55 HG3 -0.05 -0.03 -0.03 -0.04 1.67 1.52 2js1A9 ARG 55 HD2 -0.13 0.01 0.01 -0.04 3.22 3.07 2js1A9 ARG 55 HD3 -0.09 -0.04 0.02 -0.04 3.22 3.07 2js1A9 ILE 56 H -0.08 0.49 -0.15 -0.55 8.25 7.95 2js1A9 ILE 56 HA -0.03 0.02 0.53 -0.75 4.18 3.94 2js1A9 ILE 56 HB -0.04 0.11 0.27 -0.04 1.89 2.20 2js1A9 ILE 56 HG12 -0.09 -0.06 0.04 -0.04 1.49 1.34 2js1A9 ILE 56 HG13 -0.06 0.28 0.11 -0.04 1.21 1.49 2js1A9 ILE 56 HG23 0.05 -0.02 -0.09 -0.04 0.93 0.83 2js1A9 ILE 56 HD13 -0.04 -0.02 -0.04 -0.04 0.88 0.74 2js1A9 GLN 57 H -0.10 0.67 0.10 -0.55 8.47 8.59 2js1A9 GLN 57 HA 0.04 0.02 0.38 -0.75 4.36 4.05 2js1A9 GLN 57 HB2 -0.27 0.07 0.09 -0.04 2.15 2.00 2js1A9 GLN 57 HB3 -0.03 -0.03 0.05 -0.04 2.02 1.98 2js1A9 GLN 57 HG2 -0.02 -0.02 0.03 -0.04 2.40 2.35 2js1A9 GLN 57 HG3 -0.08 0.15 0.05 -0.04 2.39 2.47 2js1A9 GLN 57 HE21 -0.03 -0.02 -0.03 -0.04 6.97 6.86 2js1A9 GLN 57 HE22 -0.02 -0.00 -0.02 -0.04 7.69 7.60 2js1A9 HIS 58 H -0.16 0.43 -0.44 -0.55 8.41 7.69 2js1A9 HIS 58 HA 0.02 0.04 0.56 -0.75 4.63 4.50 2js1A9 HIS 58 HB2 -0.04 0.09 0.20 -0.04 3.26 3.47 2js1A9 HIS 58 HB3 -0.03 -0.09 0.03 -0.04 3.20 3.06 2js1A9 HIS 58 HD2 -0.06 -0.06 -0.11 -0.04 6.97 6.70 2js1A9 HIS 58 HE1 -0.00 -0.03 -0.01 -0.04 7.75 7.66 2js1A9 LEU 59 H 0.11 0.66 -0.04 -0.55 8.37 8.55 2js1A9 LEU 59 HA 0.16 -0.04 0.40 -0.75 4.35 4.11 2js1A9 LEU 59 HB2 0.06 0.18 0.24 -0.04 1.64 2.08 2js1A9 LEU 59 HB3 0.17 0.10 0.18 -0.04 1.64 2.05 2js1A9 LEU 59 HG 0.46 -0.14 -0.00 -0.04 1.64 1.92 2js1A9 LEU 59 HD13 0.37 -0.01 0.07 -0.04 0.93 1.31 2js1A9 LEU 59 HD23 -0.21 0.00 0.04 -0.04 0.89 0.68 2js1A9 ASP 60 H 0.23 0.40 -0.74 -0.55 8.40 7.74 2js1A9 ASP 60 HA 0.33 -0.05 0.35 -0.75 4.63 4.51 2js1A9 ASP 60 HB2 0.16 0.28 0.08 -0.04 2.71 3.19 2js1A9 ASP 60 HB3 0.21 -0.08 0.02 -0.04 2.70 2.80 2js1A9 GLU 61 H 0.14 0.63 -0.25 -0.55 8.60 8.57 2js1A9 GLU 61 HA 0.01 0.01 0.37 -0.75 4.29 3.92 2js1A9 GLU 61 HB2 0.01 -0.05 0.08 -0.04 2.09 2.09 2js1A9 GLU 61 HB3 0.06 0.08 0.17 -0.04 1.99 2.25 2js1A9 GLU 61 HG2 0.08 0.00 0.03 -0.04 2.34 2.41 2js1A9 GLU 61 HG3 0.03 -0.08 -0.28 -0.04 2.34 1.97 2js1A9 ALA 62 H 0.14 0.50 -0.36 -0.55 8.40 8.14 2js1A9 ALA 62 HA 0.03 0.03 0.47 -0.75 4.34 4.12 2js1A9 ALA 62 HB3 0.18 0.01 0.10 -0.04 1.41 1.66 2js1A9 TYR 63 H 0.26 0.40 0.03 -0.55 8.29 8.43 2js1A9 TYR 63 HA 0.02 -0.04 0.41 -0.75 4.56 4.19 2js1A9 TYR 63 HB2 -0.19 -0.06 0.06 -0.04 3.06 2.82 2js1A9 TYR 63 HB3 -0.17 0.08 0.16 -0.04 2.98 3.01 2js1A9 TYR 63 HD2 -0.11 -0.00 0.02 -0.04 7.15 7.02 2js1A9 TYR 63 HE2 -0.07 -0.00 -0.05 -0.04 6.85 6.68 2js1A9 ASN 64 H -0.45 0.64 -0.21 -0.55 8.53 7.97 2js1A9 ASN 64 HA -1.01 0.00 0.42 -0.75 4.76 3.42 2js1A9 ASN 64 HB2 -0.50 0.01 0.06 -0.04 2.88 2.40 2js1A9 ASN 64 HB3 -0.23 0.11 0.07 -0.04 2.79 2.69 2js1A9 ASN 64 HD21 -0.08 0.01 -0.04 -0.04 7.03 6.88 2js1A9 ASN 64 HD22 -0.07 -0.00 -0.04 -0.04 7.74 7.59 2js1A9 LYS 65 H -0.16 0.40 -0.33 -0.55 8.42 7.77 2js1A9 LYS 65 HA -0.09 0.02 0.41 -0.75 4.32 3.91 2js1A9 LYS 65 HB2 -0.05 0.22 0.24 -0.04 1.87 2.24 2js1A9 LYS 65 HB3 -0.05 0.04 0.15 -0.04 1.79 1.90 2js1A9 LYS 65 HG2 -0.03 -0.07 -0.02 -0.04 1.46 1.30 2js1A9 LYS 65 HG3 -0.04 -0.01 0.01 -0.04 1.46 1.37 2js1A9 LYS 65 HD2 -0.04 0.01 0.03 -0.04 1.69 1.65 2js1A9 LYS 65 HD3 -0.03 -0.02 0.01 -0.04 1.68 1.60 2js1A9 LYS 65 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.93 2js1A9 LYS 65 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2js1A9 VAL 66 H -0.09 0.48 -0.20 -0.55 8.24 7.88 2js1A9 VAL 66 HA -0.04 0.05 0.38 -0.75 4.13 3.76 2js1A9 VAL 66 HB -0.01 0.13 0.21 -0.04 2.12 2.41 2js1A9 VAL 66 HG13 0.01 -0.03 -0.05 -0.04 0.97 0.85 2js1A9 VAL 66 HG23 -0.02 0.04 0.02 -0.04 0.95 0.96 2js1A9 LYS 67 H -0.13 0.43 -0.10 -0.55 8.42 8.07 2js1A9 LYS 67 HA -0.03 -0.03 0.41 -0.75 4.32 3.92 2js1A9 LYS 67 HB2 -0.16 0.11 0.13 -0.04 1.87 1.91 2js1A9 LYS 67 HB3 -0.03 -0.02 0.02 -0.04 1.79 1.72 2js1A9 LYS 67 HG2 0.00 -0.10 0.09 -0.04 1.46 1.41 2js1A9 LYS 67 HG3 -0.13 0.11 0.06 -0.04 1.46 1.46 2js1A9 LYS 67 HD2 0.03 -0.04 0.03 -0.04 1.69 1.67 2js1A9 LYS 67 HD3 0.15 -0.05 0.01 -0.04 1.68 1.75 2js1A9 LYS 67 HE2 0.10 0.03 -0.01 -0.04 2.99 3.07 2js1A9 LYS 67 HE3 0.05 0.02 -0.01 -0.04 2.99 3.01 2js1A9 ARG 68 H -0.11 0.65 -0.13 -0.55 8.46 8.32 2js1A9 ARG 68 HA -0.04 0.02 0.34 -0.75 4.34 3.90 2js1A9 ARG 68 HB2 -0.07 0.09 0.16 -0.04 1.90 2.04 2js1A9 ARG 68 HB3 -0.04 -0.06 0.02 -0.04 1.80 1.68 2js1A9 ARG 68 HG2 -0.04 -0.04 0.04 -0.04 1.67 1.58 2js1A9 ARG 68 HG3 -0.10 0.07 0.07 -0.04 1.67 1.66 2js1A9 ARG 68 HD2 -0.06 -0.07 -0.05 -0.04 3.22 3.00 2js1A9 ARG 68 HD3 -0.08 -0.02 -0.19 -0.04 3.22 2.89 2js1A9 GLY 69 H -0.04 0.27 -0.72 -0.55 8.43 7.38 2js1A9 GLY 69 HA2 -0.02 0.02 0.55 -0.51 4.01 4.05 2js1A9 GLY 69 HA3 -0.03 -0.02 0.30 -0.51 4.01 3.75 2js1A9 GLU 70 H -0.02 0.50 -0.48 -0.55 8.60 8.05 2js1A9 GLU 70 HA -0.00 0.13 0.79 -0.75 4.29 4.45 2js1A9 GLU 70 HB2 -0.01 0.03 0.23 -0.04 2.09 2.30 2js1A9 GLU 70 HB3 0.00 -0.11 0.18 -0.04 1.99 2.02 2js1A9 GLU 70 HG2 -0.01 0.20 -0.20 -0.04 2.34 2.28 2js1A9 GLU 70 HG3 -0.00 -0.15 -0.04 -0.04 2.34 2.11 2js1A9 SER 71 H 0.00 0.04 0.11 -0.55 8.46 8.06 2js1A9 SER 71 HA 0.01 -0.06 0.41 -0.75 4.49 4.09 2js1A9 SER 71 HB2 0.01 -0.03 -0.01 -0.04 3.95 3.89 2js1A9 SER 71 HB3 0.00 0.01 -0.29 -0.04 3.93 3.61 2js1A9 LYS 72 H 0.01 0.91 0.16 -0.55 8.42 8.94 2js1A9 LYS 72 HA 0.01 -0.04 0.36 -0.75 4.32 3.89 2js1A9 LYS 72 HB2 0.02 0.18 0.25 -0.04 1.87 2.27 2js1A9 LYS 72 HB3 0.01 -0.07 0.01 -0.04 1.79 1.70 2js1A9 LYS 72 HG2 0.01 -0.15 -0.73 -0.04 1.46 0.55 2js1A9 LYS 72 HG3 0.01 -0.03 -0.15 -0.04 1.46 1.24 2js1A9 LYS 72 HD2 0.01 -0.05 -0.02 -0.04 1.69 1.59 2js1A9 LYS 72 HD3 0.00 0.13 -0.06 -0.04 1.68 1.71 2js1A9 LYS 72 HE2 0.00 0.00 -0.02 -0.04 2.99 2.93 2js1A9 LYS 72 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.87 2js1A9 LEU 73 H 0.02 0.09 0.10 -0.55 8.37 8.03 2js1A9 LEU 73 HA 0.06 -0.00 0.27 -0.75 4.35 3.93 2js1A9 LEU 73 HB2 0.05 0.29 0.11 -0.04 1.64 2.05 2js1A9 LEU 73 HB3 0.10 -0.12 0.18 -0.04 1.64 1.76 2js1A9 LEU 73 HG 0.03 -0.06 -0.33 -0.04 1.64 1.24 2js1A9 LEU 73 HD13 0.03 0.01 -0.03 -0.04 0.93 0.90 2js1A9 LEU 73 HD23 0.02 0.00 0.03 -0.04 0.89 0.89 2js1A9 GLU 74 H 0.11 0.05 0.16 -0.55 8.60 8.37 2js1A9 GLU 74 HA 0.01 -0.05 0.39 -0.75 4.29 3.89 2js1A9 GLU 74 HB2 0.03 0.21 -0.15 -0.04 2.09 2.15 2js1A9 GLU 74 HB3 0.02 0.00 0.12 -0.04 1.99 2.09 2js1A9 GLU 74 HG2 0.04 0.10 -0.06 -0.04 2.34 2.38 2js1A9 GLU 74 HG3 0.02 0.02 -0.05 -0.04 2.34 2.29 2js1A9 HIS 75 H -0.04 0.06 -0.02 -0.55 8.41 7.87 2js1A9 HIS 75 HA -0.02 0.25 0.64 -0.75 4.63 4.74 2js1A9 HIS 75 HB2 -0.02 0.01 0.15 -0.04 3.26 3.36 2js1A9 HIS 75 HB3 -0.01 0.02 -0.06 -0.04 3.20 3.11 2js1A9 HIS 75 HD2 -0.04 0.00 -0.04 -0.04 6.97 6.85 2js1A9 HIS 75 HE1 -0.00 -0.00 -0.00 -0.04 7.75 7.70 2js1A9 HIS 76 H -0.12 0.17 -0.46 -0.55 8.41 7.46 2js1A9 HIS 76 HA -0.26 0.09 0.74 -0.75 4.63 4.45 2js1A9 HIS 76 HB2 -0.39 -0.04 -0.21 -0.04 3.26 2.59 2js1A9 HIS 76 HB3 -0.21 0.00 -0.08 -0.04 3.20 2.87 2js1A9 HIS 76 HD2 -0.09 -0.13 -0.12 -0.04 6.97 6.59 2js1A9 HIS 76 HE1 0.02 -0.05 0.01 -0.04 7.75 7.69 2js1A9 HIS 77 H -0.30 0.09 0.04 -0.55 8.41 7.71 2js1A9 HIS 77 HA -0.08 0.09 0.37 -0.75 4.63 4.27 2js1A9 HIS 77 HB2 -0.12 -0.10 0.22 -0.04 3.26 3.22 2js1A9 HIS 77 HB3 -0.05 0.03 0.07 -0.04 3.20 3.21 2js1A9 HIS 77 HD2 0.04 -0.00 0.04 -0.04 6.97 7.00 2js1A9 HIS 77 HE1 0.02 0.02 -0.05 -0.04 7.75 7.70 2js1A9 HIS 78 H -0.11 0.02 0.07 -0.55 8.41 7.84 2js1A9 HIS 78 HA -0.07 0.05 0.49 -0.75 4.63 4.35 2js1A9 HIS 78 HB2 -0.06 -0.05 0.10 -0.04 3.26 3.22 2js1A9 HIS 78 HB3 -0.12 -0.01 0.04 -0.04 3.20 3.07 2js1A9 HIS 78 HD2 -0.01 -0.03 0.05 -0.04 6.97 6.94 2js1A9 HIS 78 HE1 0.02 0.02 -0.01 -0.04 7.75 7.73 2js1A9 HIS 79 H -0.83 0.05 0.14 -0.55 8.41 7.23 2js1A9 HIS 79 HA -0.13 0.06 0.40 -0.75 4.63 4.20 2js1A9 HIS 79 HB2 -0.22 0.01 0.11 -0.04 3.26 3.12 2js1A9 HIS 79 HB3 -0.36 0.04 0.05 -0.04 3.20 2.88 2js1A9 HIS 79 HD2 0.00 0.11 -0.11 -0.04 6.97 6.92 2js1A9 HIS 79 HE1 0.00 0.01 0.03 -0.04 7.75 7.75 2js1A9 HIS 80 H -1.13 0.04 0.05 -0.55 8.41 6.82 2js1A9 HIS 80 HA -0.06 0.13 0.17 -0.75 4.63 4.12 2js1A9 HIS 80 HB2 -0.28 0.02 0.08 -0.04 3.26 3.03 2js1A9 HIS 80 HB3 -0.41 -0.00 0.07 -0.04 3.20 2.82 2js1A9 HIS 80 HD2 -0.06 0.01 0.00 -0.04 6.97 6.87 2js1A9 HIS 80 HE1 -0.00 -0.00 0.01 -0.04 7.75 7.71