============================================================================= 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. HIS 41 0.900 4.129 -27.305 -9.479 -99.200 -91.000 PHE 64 1.000 -4.427 -23.743 -1.915 -99.200 -91.000 TYR 74 0.840 -2.206 -29.518 -9.544 -99.200 -91.000 HIS 98 0.900 5.152 -16.749 2.070 -99.200 -91.000 PHE 102 1.000 -8.473 -12.009 -3.592 -99.200 -91.000 TYR 104 0.840 2.334 -5.318 -2.856 -99.200 -91.000 TYR 111 0.840 -11.085 -14.046 1.588 -99.200 -91.000 TRP 114 1.040 -2.931 -8.855 4.967 -99.200 -91.000 TRP6 114 1.020 -0.867 -9.498 5.931 -99.200 -91.000 HIS 178 0.900 10.576 -16.095 25.695 -99.200 -91.000 HIS 179 0.900 6.008 -13.822 19.444 -99.200 -91.000 HIS 180 0.900 2.559 -17.001 19.935 -99.200 -91.000 HIS 181 0.900 2.638 -20.250 27.027 -99.200 -91.000 HIS 182 0.900 6.920 -12.854 25.448 -99.200 -91.000 HIS 183 0.900 4.351 -8.872 30.552 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zvyA1 GLU 99 HA 0.00 -0.03 0.18 -0.75 4.29 3.69 2zvyA1 GLU 99 HB2 0.00 0.02 0.07 -0.04 2.09 2.14 2zvyA1 GLU 99 HB3 0.00 0.02 0.06 -0.04 1.99 2.02 2zvyA1 GLU 99 HG2 0.00 0.01 -0.32 -0.04 2.34 1.99 2zvyA1 GLU 99 HG3 0.00 0.03 -0.04 -0.04 2.34 2.29 2zvyA1 LYS 100 H 0.00 0.20 0.07 -0.55 8.42 8.14 2zvyA1 LYS 100 HA 0.00 0.18 0.64 -0.75 4.32 4.39 2zvyA1 LYS 100 HB2 0.00 0.06 0.12 -0.04 1.87 2.01 2zvyA1 LYS 100 HB3 -0.00 -0.08 0.27 -0.04 1.79 1.94 2zvyA1 LYS 100 HG2 -0.00 0.03 0.07 -0.04 1.46 1.52 2zvyA1 LYS 100 HG3 -0.00 -0.01 0.02 -0.04 1.46 1.43 2zvyA1 LYS 100 HD2 0.00 0.03 0.02 -0.04 1.69 1.69 2zvyA1 LYS 100 HD3 0.00 0.02 0.02 -0.04 1.68 1.68 2zvyA1 LYS 100 HE2 -0.00 0.00 0.00 -0.04 2.99 2.96 2zvyA1 LYS 100 HE3 -0.00 -0.01 -0.04 -0.04 2.99 2.90 2zvyA1 GLN 101 H -0.00 0.15 0.15 -0.55 8.47 8.22 2zvyA1 GLN 101 HA -0.00 0.08 0.40 -0.75 4.36 4.08 2zvyA1 GLN 101 HB2 -0.00 0.02 0.14 -0.04 2.15 2.27 2zvyA1 GLN 101 HB3 -0.00 0.04 0.12 -0.04 2.02 2.14 2zvyA1 GLN 101 HG2 -0.00 0.03 -0.02 -0.04 2.40 2.37 2zvyA1 GLN 101 HG3 -0.00 -0.03 -0.19 -0.04 2.39 2.13 2zvyA1 GLN 101 HE21 -0.00 0.03 -0.01 -0.04 6.97 6.95 2zvyA1 GLN 101 HE22 -0.00 0.00 -0.02 -0.04 7.69 7.63 2zvyA1 PRO 102 HA -0.00 0.06 0.41 -0.51 4.44 4.41 2zvyA1 PRO 102 HB2 0.00 0.08 -0.06 -0.04 2.28 2.26 2zvyA1 PRO 102 HB3 -0.00 0.05 0.07 -0.04 2.02 2.09 2zvyA1 PRO 102 HG2 0.00 -0.01 -0.10 -0.04 2.03 1.88 2zvyA1 PRO 102 HG3 0.00 0.14 0.03 -0.04 2.03 2.16 2zvyA1 PRO 102 HD2 -0.00 -0.15 -0.04 -0.04 3.68 3.45 2zvyA1 PRO 102 HD3 -0.00 0.16 0.10 -0.04 3.65 3.87 2zvyA1 ASN 103 H 0.00 0.20 -0.48 -0.55 8.53 7.71 2zvyA1 ASN 103 HA 0.00 0.02 0.36 -0.75 4.76 4.39 2zvyA1 ASN 103 HB2 0.00 -0.05 0.07 -0.04 2.88 2.87 2zvyA1 ASN 103 HB3 0.00 0.29 0.06 -0.04 2.79 3.09 2zvyA1 ASN 103 HD21 0.00 -0.05 -0.05 -0.04 7.03 6.89 2zvyA1 ASN 103 HD22 0.00 0.07 -0.05 -0.04 7.74 7.73 2zvyA1 ILE 104 H 0.00 0.49 -0.16 -0.55 8.25 8.03 2zvyA1 ILE 104 HA 0.00 0.03 0.45 -0.75 4.18 3.90 2zvyA1 ILE 104 HB 0.00 0.10 0.12 -0.04 1.89 2.07 2zvyA1 ILE 104 HG12 0.00 -0.00 0.07 -0.04 1.49 1.52 2zvyA1 ILE 104 HG13 0.00 0.00 0.02 -0.04 1.21 1.20 2zvyA1 ILE 104 HG23 -0.00 0.08 -0.06 -0.04 0.93 0.91 2zvyA1 ILE 104 HD13 0.00 -0.03 0.07 -0.04 0.88 0.88 2zvyA1 ASP 105 H -0.00 0.43 -0.34 -0.55 8.40 7.94 2zvyA1 ASP 105 HA -0.00 -0.00 0.46 -0.75 4.63 4.34 2zvyA1 ASP 105 HB2 -0.00 0.20 0.18 -0.04 2.71 3.05 2zvyA1 ASP 105 HB3 -0.00 0.02 0.05 -0.04 2.70 2.72 2zvyA1 GLU 106 H 0.00 0.73 0.02 -0.55 8.60 8.81 2zvyA1 GLU 106 HA 0.00 -0.01 0.45 -0.75 4.29 3.97 2zvyA1 GLU 106 HB2 0.00 0.02 0.12 -0.04 2.09 2.19 2zvyA1 GLU 106 HB3 0.00 0.14 0.16 -0.04 1.99 2.25 2zvyA1 GLU 106 HG2 0.00 0.00 0.00 -0.04 2.34 2.30 2zvyA1 GLU 106 HG3 0.00 -0.02 -0.11 -0.04 2.34 2.18 2zvyA1 LEU 107 H 0.00 0.52 -0.21 -0.55 8.37 8.13 2zvyA1 LEU 107 HA 0.00 0.01 0.41 -0.75 4.35 4.01 2zvyA1 LEU 107 HB2 0.00 0.17 0.21 -0.04 1.64 1.99 2zvyA1 LEU 107 HB3 0.00 -0.04 0.02 -0.04 1.64 1.58 2zvyA1 LEU 107 HG 0.00 0.32 0.09 -0.04 1.64 2.01 2zvyA1 LEU 107 HD13 0.00 -0.03 -0.01 -0.04 0.93 0.85 2zvyA1 LEU 107 HD23 0.00 -0.02 0.02 -0.04 0.89 0.85 2zvyA1 LYS 108 H 0.00 0.53 -0.08 -0.55 8.42 8.31 2zvyA1 LYS 108 HA 0.00 0.02 0.45 -0.75 4.32 4.04 2zvyA1 LYS 108 HB2 0.00 0.12 0.17 -0.04 1.87 2.12 2zvyA1 LYS 108 HB3 0.00 -0.07 0.05 -0.04 1.79 1.73 2zvyA1 LYS 108 HG2 0.00 -0.04 0.07 -0.04 1.46 1.45 2zvyA1 LYS 108 HG3 0.00 0.19 0.13 -0.04 1.46 1.74 2zvyA1 LYS 108 HD2 0.00 0.00 0.02 -0.04 1.69 1.67 2zvyA1 LYS 108 HD3 0.00 -0.04 0.03 -0.04 1.68 1.63 2zvyA1 LYS 108 HE2 0.00 -0.01 0.02 -0.04 2.99 2.96 2zvyA1 LYS 108 HE3 0.00 0.01 0.01 -0.04 2.99 2.97 2zvyA1 LYS 109 H 0.00 0.49 -0.25 -0.55 8.42 8.11 2zvyA1 LYS 109 HA 0.00 -0.05 0.49 -0.75 4.32 4.01 2zvyA1 LYS 109 HB2 0.00 0.03 0.15 -0.04 1.87 2.00 2zvyA1 LYS 109 HB3 0.00 0.17 0.24 -0.04 1.79 2.16 2zvyA1 LYS 109 HG2 0.00 -0.02 -0.20 -0.04 1.46 1.20 2zvyA1 LYS 109 HG3 0.00 -0.06 0.05 -0.04 1.46 1.42 2zvyA1 LYS 109 HD2 0.00 -0.02 0.00 -0.04 1.69 1.64 2zvyA1 LYS 109 HD3 0.00 0.03 0.02 -0.04 1.68 1.68 2zvyA1 LYS 109 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 2zvyA1 LYS 109 HE3 0.00 -0.00 -0.03 -0.04 2.99 2.92 2zvyA1 ARG 110 H 0.00 0.70 -0.03 -0.55 8.46 8.58 2zvyA1 ARG 110 HA 0.00 -0.01 0.46 -0.75 4.34 4.05 2zvyA1 ARG 110 HB2 0.00 0.17 0.21 -0.04 1.90 2.24 2zvyA1 ARG 110 HB3 0.00 -0.05 0.01 -0.04 1.80 1.72 2zvyA1 ARG 110 HG2 0.00 -0.05 0.05 -0.04 1.67 1.63 2zvyA1 ARG 110 HG3 0.00 0.09 0.08 -0.04 1.67 1.80 2zvyA1 ARG 110 HD2 0.00 -0.03 -0.02 -0.04 3.22 3.13 2zvyA1 ARG 110 HD3 0.00 0.01 -0.07 -0.04 3.22 3.12 2zvyA1 MET 111 H 0.00 0.55 -0.10 -0.55 8.47 8.38 2zvyA1 MET 111 HA 0.00 0.03 0.49 -0.75 4.52 4.29 2zvyA1 MET 111 HB2 0.00 0.10 0.20 -0.04 2.15 2.41 2zvyA1 MET 111 HB3 0.00 -0.02 0.02 -0.04 2.03 1.98 2zvyA1 MET 111 HG2 0.00 -0.03 0.06 -0.04 2.63 2.62 2zvyA1 MET 111 HG3 0.00 0.03 0.06 -0.04 2.56 2.60 2zvyA1 MET 111 HE3 0.00 -0.00 0.01 -0.04 2.10 2.07 2zvyA1 GLU 112 H 0.00 0.50 -0.16 -0.55 8.60 8.40 2zvyA1 GLU 112 HA 0.01 0.05 0.52 -0.75 4.29 4.11 2zvyA1 GLU 112 HB2 0.01 0.06 0.21 -0.04 2.09 2.32 2zvyA1 GLU 112 HB3 0.01 0.13 0.21 -0.04 1.99 2.30 2zvyA1 GLU 112 HG2 0.01 0.00 0.00 -0.04 2.34 2.31 2zvyA1 GLU 112 HG3 0.01 0.02 0.14 -0.04 2.34 2.46 2zvyA1 GLN 113 H 0.00 0.54 -0.09 -0.55 8.47 8.38 2zvyA1 GLN 113 HA 0.01 0.00 0.44 -0.75 4.36 4.05 2zvyA1 GLN 113 HB2 0.00 0.14 0.18 -0.04 2.15 2.43 2zvyA1 GLN 113 HB3 0.00 -0.05 0.04 -0.04 2.02 1.98 2zvyA1 GLN 113 HG2 0.00 -0.05 0.05 -0.04 2.40 2.37 2zvyA1 GLN 113 HG3 0.00 0.41 0.16 -0.04 2.39 2.93 2zvyA1 GLN 113 HE21 0.00 -0.03 -0.03 -0.04 6.97 6.88 2zvyA1 GLN 113 HE22 0.00 0.01 -0.02 -0.04 7.69 7.64 2zvyA1 SER 114 H 0.00 0.57 -0.16 -0.55 8.46 8.33 2zvyA1 SER 114 HA 0.00 0.00 0.42 -0.75 4.49 4.16 2zvyA1 SER 114 HB2 0.00 -0.05 0.08 -0.04 3.95 3.95 2zvyA1 SER 114 HB3 0.00 0.05 0.15 -0.04 3.93 4.09 2zvyA1 ARG 115 H 0.00 0.42 -0.25 -0.55 8.46 8.08 2zvyA1 ARG 115 HA 0.00 0.05 0.51 -0.75 4.34 4.15 2zvyA1 ARG 115 HB2 0.01 0.11 0.23 -0.04 1.90 2.20 2zvyA1 ARG 115 HB3 0.01 -0.02 0.05 -0.04 1.80 1.79 2zvyA1 ARG 115 HG2 0.00 -0.03 0.06 -0.04 1.67 1.66 2zvyA1 ARG 115 HG3 0.00 0.23 0.13 -0.04 1.67 2.00 2zvyA1 ARG 115 HD2 0.01 0.01 0.06 -0.04 3.22 3.25 2zvyA1 ARG 115 HD3 0.00 -0.02 0.03 -0.04 3.22 3.20 2zvyA1 LEU 116 H 0.01 0.57 -0.03 -0.55 8.37 8.37 2zvyA1 LEU 116 HA 0.01 0.06 0.50 -0.75 4.35 4.17 2zvyA1 LEU 116 HB2 0.01 0.08 0.12 -0.04 1.64 1.81 2zvyA1 LEU 116 HB3 0.01 -0.06 -0.02 -0.04 1.64 1.53 2zvyA1 LEU 116 HG 0.01 0.08 0.05 -0.04 1.64 1.74 2zvyA1 LEU 116 HD13 0.01 -0.05 -0.08 -0.04 0.93 0.77 2zvyA1 LEU 116 HD23 0.01 0.00 -0.04 -0.04 0.89 0.82 2zvyA1 ASN 117 H 0.01 0.64 -0.17 -0.55 8.53 8.46 2zvyA1 ASN 117 HA 0.01 0.00 0.47 -0.75 4.76 4.49 2zvyA1 ASN 117 HB2 0.00 0.07 0.10 -0.04 2.88 3.01 2zvyA1 ASN 117 HB3 0.00 0.10 0.13 -0.04 2.79 2.98 2zvyA1 ASN 117 HD21 0.00 -0.03 -0.03 -0.04 7.03 6.93 2zvyA1 ASN 117 HD22 0.00 0.04 -0.05 -0.04 7.74 7.69 2zvyA1 LYS 118 H 0.00 0.49 -0.22 -0.55 8.42 8.15 2zvyA1 LYS 118 HA 0.00 0.01 0.47 -0.75 4.32 4.04 2zvyA1 LYS 118 HB2 0.00 0.09 0.17 -0.04 1.87 2.09 2zvyA1 LYS 118 HB3 0.00 0.12 0.11 -0.04 1.79 1.99 2zvyA1 LYS 118 HG2 0.00 -0.06 0.00 -0.04 1.46 1.36 2zvyA1 LYS 118 HG3 0.00 -0.04 0.05 -0.04 1.46 1.44 2zvyA1 LYS 118 HD2 0.00 -0.00 0.01 -0.04 1.69 1.66 2zvyA1 LYS 118 HD3 0.00 0.05 -0.05 -0.04 1.68 1.64 2zvyA1 LYS 118 HE2 0.00 -0.03 -0.00 -0.04 2.99 2.92 2zvyA1 LYS 118 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 2zvyA1 LEU 119 H 0.01 0.46 -0.20 -0.55 8.37 8.09 2zvyA1 LEU 119 HA 0.01 0.04 0.41 -0.75 4.35 4.05 2zvyA1 LEU 119 HB2 0.01 0.06 0.10 -0.04 1.64 1.77 2zvyA1 LEU 119 HB3 0.01 0.08 0.16 -0.04 1.64 1.85 2zvyA1 LEU 119 HG 0.01 -0.05 -0.24 -0.04 1.64 1.32 2zvyA1 LEU 119 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.83 2zvyA1 LEU 119 HD23 0.01 -0.00 -0.02 -0.04 0.89 0.84 2zvyA1 ARG 120 H 0.01 0.50 -0.30 -0.55 8.46 8.12 2zvyA1 ARG 120 HA 0.01 -0.00 0.35 -0.75 4.34 3.95 2zvyA1 ARG 120 HB2 0.01 0.08 0.11 -0.04 1.90 2.05 2zvyA1 ARG 120 HB3 0.01 0.15 0.16 -0.04 1.80 2.08 2zvyA1 ARG 120 HG2 0.01 -0.04 -0.05 -0.04 1.67 1.55 2zvyA1 ARG 120 HG3 0.01 -0.06 -0.08 -0.04 1.67 1.49 2zvyA1 ARG 120 HD2 0.00 0.01 -0.13 -0.04 3.22 3.06 2zvyA1 ARG 120 HD3 0.01 -0.04 -0.53 -0.04 3.22 2.62 2zvyA1 GLY 121 H 0.01 0.53 -0.14 -0.55 8.43 8.28 2zvyA1 GLY 121 HA2 0.00 -0.01 0.42 -0.51 4.01 3.92 2zvyA1 GLY 121 HA3 0.00 0.05 0.32 -0.51 4.01 3.88 2zvyA1 ASP 122 H 0.01 0.57 -0.23 -0.55 8.40 8.20 2zvyA1 ASP 122 HA 0.00 -0.01 0.43 -0.75 4.63 4.30 2zvyA1 ASP 122 HB2 0.01 0.12 0.18 -0.04 2.71 2.98 2zvyA1 ASP 122 HB3 0.01 -0.04 0.01 -0.04 2.70 2.63 2zvyA1 LEU 123 H 0.01 0.62 -0.13 -0.55 8.37 8.33 2zvyA1 LEU 123 HA 0.01 0.04 0.49 -0.75 4.35 4.13 2zvyA1 LEU 123 HB2 0.01 0.10 0.14 -0.04 1.64 1.85 2zvyA1 LEU 123 HB3 0.01 -0.05 -0.02 -0.04 1.64 1.53 2zvyA1 LEU 123 HG 0.01 0.10 0.00 -0.04 1.64 1.71 2zvyA1 LEU 123 HD13 0.01 -0.02 -0.11 -0.04 0.93 0.77 2zvyA1 LEU 123 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 2zvyA1 ASP 124 H 0.01 0.58 -0.07 -0.55 8.40 8.37 2zvyA1 ASP 124 HA 0.01 0.02 0.40 -0.75 4.63 4.30 2zvyA1 ASP 124 HB2 0.00 0.11 0.18 -0.04 2.71 2.96 2zvyA1 ASP 124 HB3 0.00 -0.05 0.00 -0.04 2.70 2.61 2zvyA1 GLN 125 H 0.00 0.53 -0.28 -0.55 8.47 8.18 2zvyA1 GLN 125 HA 0.00 -0.01 0.45 -0.75 4.36 4.05 2zvyA1 GLN 125 HB2 0.00 0.22 0.19 -0.04 2.15 2.53 2zvyA1 GLN 125 HB3 0.00 0.00 -0.05 -0.04 2.02 1.93 2zvyA1 GLN 125 HG2 0.00 -0.01 0.03 -0.04 2.40 2.38 2zvyA1 GLN 125 HG3 0.00 -0.02 0.00 -0.04 2.39 2.33 2zvyA1 GLN 125 HE21 0.00 -0.03 0.00 -0.04 6.97 6.91 2zvyA1 GLN 125 HE22 0.00 0.03 -0.03 -0.04 7.69 7.65 2zvyA1 LEU 126 H 0.01 0.52 -0.18 -0.55 8.37 8.17 2zvyA1 LEU 126 HA 0.01 -0.02 0.40 -0.75 4.35 3.99 2zvyA1 LEU 126 HB2 0.01 0.07 0.14 -0.04 1.64 1.82 2zvyA1 LEU 126 HB3 0.01 0.13 0.16 -0.04 1.64 1.90 2zvyA1 LEU 126 HG 0.01 -0.07 -0.19 -0.04 1.64 1.35 2zvyA1 LEU 126 HD13 0.01 -0.01 0.02 -0.04 0.93 0.90 2zvyA1 LEU 126 HD23 0.01 0.01 -0.16 -0.04 0.89 0.71 2zvyA1 ILE 127 H 0.01 0.51 -0.22 -0.55 8.25 8.00 2zvyA1 ILE 127 HA 0.01 -0.03 0.34 -0.75 4.18 3.75 2zvyA1 ILE 127 HB 0.01 0.12 0.12 -0.04 1.89 2.10 2zvyA1 ILE 127 HG12 0.02 -0.06 -0.05 -0.04 1.49 1.36 2zvyA1 ILE 127 HG13 0.01 0.07 0.02 -0.04 1.21 1.27 2zvyA1 ILE 127 HG23 0.01 -0.00 -0.22 -0.04 0.93 0.67 2zvyA1 ILE 127 HD13 0.02 -0.02 -0.10 -0.04 0.88 0.74 2zvyA1 GLU 128 H 0.00 0.45 -0.18 -0.55 8.60 8.33 2zvyA1 GLU 128 HA 0.00 0.01 0.40 -0.75 4.29 3.94 2zvyA1 GLU 128 HB2 0.00 -0.02 0.10 -0.04 2.09 2.13 2zvyA1 GLU 128 HB3 0.00 0.08 0.20 -0.04 1.99 2.23 2zvyA1 GLU 128 HG2 0.00 -0.06 -0.03 -0.04 2.34 2.21 2zvyA1 GLU 128 HG3 0.00 0.02 -0.32 -0.04 2.34 2.00 2zvyA1 SER 129 H 0.00 0.60 -0.08 -0.55 8.46 8.44 2zvyA1 SER 129 HA 0.00 0.06 0.46 -0.75 4.49 4.26 2zvyA1 SER 129 HB2 0.00 -0.08 0.11 -0.04 3.95 3.94 2zvyA1 SER 129 HB3 0.00 -0.04 0.09 -0.04 3.93 3.94 2zvyA1 ASP 130 H 0.00 0.37 -0.42 -0.55 8.40 7.80 2zvyA1 ASP 130 HA 0.00 0.15 0.84 -0.75 4.63 4.87 2zvyA1 ASP 130 HB2 0.01 0.10 0.07 -0.04 2.71 2.85 2zvyA1 ASP 130 HB3 0.01 0.03 0.21 -0.04 2.70 2.91 2zvyA1 PRO 131 HA 0.00 0.12 0.37 -0.51 4.44 4.43 2zvyA1 PRO 131 HB2 0.00 -0.03 0.06 -0.04 2.28 2.27 2zvyA1 PRO 131 HB3 -0.00 0.03 0.08 -0.04 2.02 2.09 2zvyA1 PRO 131 HG2 0.00 0.01 0.10 -0.04 2.03 2.10 2zvyA1 PRO 131 HG3 0.00 0.10 0.08 -0.04 2.03 2.16 2zvyA1 PRO 131 HD2 0.00 0.02 0.22 -0.04 3.68 3.88 2zvyA1 PRO 131 HD3 0.00 0.43 0.30 -0.04 3.65 4.35 2zvyA1 LYS 132 H 0.01 0.11 -0.21 -0.55 8.42 7.78 2zvyA1 LYS 132 HA 0.01 0.10 0.53 -0.75 4.32 4.20 2zvyA1 LYS 132 HB2 0.01 0.01 0.06 -0.04 1.87 1.90 2zvyA1 LYS 132 HB3 0.02 0.02 -0.03 -0.04 1.79 1.76 2zvyA1 LYS 132 HG2 0.01 0.02 0.01 -0.04 1.46 1.45 2zvyA1 LYS 132 HG3 0.01 -0.03 0.00 -0.04 1.46 1.40 2zvyA1 LYS 132 HD2 0.01 0.02 -0.00 -0.04 1.69 1.67 2zvyA1 LYS 132 HD3 0.01 0.00 -0.02 -0.04 1.68 1.64 2zvyA1 LYS 132 HE2 0.01 0.00 -0.01 -0.04 2.99 2.95 2zvyA1 LYS 132 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 2zvyA1 LEU 133 H 0.01 0.16 -0.13 -0.55 8.37 7.86 2zvyA1 LEU 133 HA 0.03 0.03 0.47 -0.75 4.35 4.12 2zvyA1 LEU 133 HB2 0.01 0.25 0.20 -0.04 1.64 2.06 2zvyA1 LEU 133 HB3 0.02 -0.04 0.04 -0.04 1.64 1.62 2zvyA1 LEU 133 HG 0.01 -0.11 0.01 -0.04 1.64 1.52 2zvyA1 LEU 133 HD13 0.01 0.04 -0.07 -0.04 0.93 0.87 2zvyA1 LEU 133 HD23 0.02 0.00 -0.11 -0.04 0.89 0.76 2zvyA1 ARG 134 H 0.01 0.59 -0.06 -0.55 8.46 8.45 2zvyA1 ARG 134 HA 0.01 0.01 0.35 -0.75 4.34 3.95 2zvyA1 ARG 134 HB2 0.00 0.27 0.10 -0.04 1.90 2.23 2zvyA1 ARG 134 HB3 -0.00 -0.01 0.08 -0.04 1.80 1.83 2zvyA1 ARG 134 HG2 -0.01 -0.08 -0.11 -0.04 1.67 1.44 2zvyA1 ARG 134 HG3 -0.00 -0.06 0.04 -0.04 1.67 1.61 2zvyA1 ARG 134 HD2 -0.00 -0.11 0.01 -0.04 3.22 3.08 2zvyA1 ARG 134 HD3 -0.00 0.29 0.10 -0.04 3.22 3.57 2zvyA1 ALA 135 H 0.00 0.37 -0.33 -0.55 8.40 7.90 2zvyA1 ALA 135 HA -0.01 0.01 0.42 -0.75 4.34 4.00 2zvyA1 ALA 135 HB3 -0.01 0.03 0.12 -0.04 1.41 1.50 2zvyA1 LEU 136 H 0.02 0.39 -0.63 -0.55 8.37 7.60 2zvyA1 LEU 136 HA 0.11 0.09 0.76 -0.75 4.35 4.55 2zvyA1 LEU 136 HB2 0.06 0.17 0.10 -0.04 1.64 1.93 2zvyA1 LEU 136 HB3 0.13 -0.10 0.12 -0.04 1.64 1.75 2zvyA1 LEU 136 HG 0.03 0.12 -0.04 -0.04 1.64 1.70 2zvyA1 LEU 136 HD13 0.07 -0.03 -0.01 -0.04 0.93 0.92 2zvyA1 LEU 136 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.76 2zvyA1 ARG 137 H 0.01 0.47 -0.25 -0.55 8.46 8.13 2zvyA1 ARG 137 HA 0.02 -0.01 0.38 -0.75 4.34 3.98 2zvyA1 ARG 137 HB2 0.00 0.05 0.17 -0.04 1.90 2.09 2zvyA1 ARG 137 HB3 -0.02 0.04 0.09 -0.04 1.80 1.88 2zvyA1 ARG 137 HG2 -0.01 -0.02 -0.07 -0.04 1.67 1.53 2zvyA1 ARG 137 HG3 0.00 -0.02 0.11 -0.04 1.67 1.72 2zvyA1 ARG 137 HD2 -0.00 -0.05 0.01 -0.04 3.22 3.14 2zvyA1 ARG 137 HD3 0.00 -0.00 -0.02 -0.04 3.22 3.15 2zvyA1 PRO 138 HA -0.08 0.06 0.44 -0.51 4.44 4.35 2zvyA1 PRO 138 HB2 -0.29 -0.01 -0.04 -0.04 2.28 1.90 2zvyA1 PRO 138 HB3 -0.13 -0.03 0.08 -0.04 2.02 1.90 2zvyA1 PRO 138 HG2 -0.32 0.03 -0.05 -0.04 2.03 1.65 2zvyA1 PRO 138 HG3 -0.14 0.01 0.02 -0.04 2.03 1.88 2zvyA1 PRO 138 HD2 -0.04 0.06 -0.48 -0.04 3.68 3.17 2zvyA1 PRO 138 HD3 -0.06 0.09 -0.01 -0.04 3.65 3.62 2zvyA1 HIS 139 H -0.04 0.51 -0.39 -0.55 8.41 7.95 2zvyA1 HIS 139 HA 0.00 0.13 0.61 -0.75 4.63 4.62 2zvyA1 HIS 139 HB2 0.01 0.15 0.09 -0.04 3.26 3.47 2zvyA1 HIS 139 HB3 0.03 -0.10 0.14 -0.04 3.20 3.23 2zvyA1 HIS 139 HD2 -0.05 0.04 0.08 -0.04 6.97 6.99 2zvyA1 HIS 139 HE1 -0.04 -0.18 0.04 -0.04 7.75 7.53 2zvyA1 LEU 140 H 0.04 0.54 -0.19 -0.55 8.37 8.21 2zvyA1 LEU 140 HA 0.05 0.30 1.11 -0.75 4.35 5.06 2zvyA1 LEU 140 HB2 0.03 0.03 0.17 -0.04 1.64 1.82 2zvyA1 LEU 140 HB3 0.03 -0.06 -0.01 -0.04 1.64 1.56 2zvyA1 LEU 140 HG 0.08 0.09 -0.08 -0.04 1.64 1.68 2zvyA1 LEU 140 HD13 0.04 -0.02 -0.09 -0.04 0.93 0.82 2zvyA1 LEU 140 HD23 0.06 0.01 -0.16 -0.04 0.89 0.76 2zvyA1 LYS 141 H 0.03 0.61 0.33 -0.55 8.42 8.84 2zvyA1 LYS 141 HA 0.01 0.16 0.92 -0.75 4.32 4.66 2zvyA1 LYS 141 HB2 0.01 -0.10 0.13 -0.04 1.87 1.88 2zvyA1 LYS 141 HB3 0.00 -0.02 -0.01 -0.04 1.79 1.72 2zvyA1 LYS 141 HG2 0.02 0.06 -0.31 -0.04 1.46 1.18 2zvyA1 LYS 141 HG3 0.00 -0.06 -0.10 -0.04 1.46 1.27 2zvyA1 LYS 141 HD2 -0.01 -0.09 -0.05 -0.04 1.69 1.51 2zvyA1 LYS 141 HD3 -0.00 0.34 -0.31 -0.04 1.68 1.66 2zvyA1 LYS 141 HE2 -0.01 0.18 -0.19 -0.04 2.99 2.93 2zvyA1 LYS 141 HE3 -0.01 -0.12 -0.07 -0.04 2.99 2.75 2zvyA1 ILE 142 H 0.01 0.23 0.16 -0.55 8.25 8.10 2zvyA1 ILE 142 HA 0.01 0.38 1.25 -0.75 4.18 5.07 2zvyA1 ILE 142 HB 0.01 -0.02 0.12 -0.04 1.89 1.95 2zvyA1 ILE 142 HG12 0.02 0.02 -0.06 -0.04 1.49 1.43 2zvyA1 ILE 142 HG13 0.02 -0.07 -0.30 -0.04 1.21 0.82 2zvyA1 ILE 142 HG23 0.01 0.00 -0.11 -0.04 0.93 0.79 2zvyA1 ILE 142 HD13 0.01 0.01 -0.09 -0.04 0.88 0.77 2zvyA1 ASP 143 H 0.01 0.64 0.36 -0.55 8.40 8.86 2zvyA1 ASP 143 HA 0.01 0.12 0.74 -0.75 4.63 4.75 2zvyA1 ASP 143 HB2 0.00 0.02 0.08 -0.04 2.71 2.77 2zvyA1 ASP 143 HB3 0.00 0.06 -0.22 -0.04 2.70 2.51 2zvyA1 LEU 144 H 0.01 0.16 0.19 -0.55 8.37 8.18 2zvyA1 LEU 144 HA 0.01 0.15 0.94 -0.75 4.35 4.70 2zvyA1 LEU 144 HB2 0.01 -0.05 0.18 -0.04 1.64 1.74 2zvyA1 LEU 144 HB3 0.01 0.08 0.05 -0.04 1.64 1.74 2zvyA1 LEU 144 HG 0.01 -0.04 -0.00 -0.04 1.64 1.57 2zvyA1 LEU 144 HD13 0.00 -0.01 0.01 -0.04 0.93 0.90 2zvyA1 LEU 144 HD23 0.01 0.01 -0.10 -0.04 0.89 0.77 2zvyA1 VAL 145 H 0.01 0.67 0.34 -0.55 8.24 8.71 2zvyA1 VAL 145 HA 0.01 0.22 0.86 -0.75 4.13 4.46 2zvyA1 VAL 145 HB 0.01 -0.11 0.08 -0.04 2.12 2.06 2zvyA1 VAL 145 HG13 0.01 0.04 -0.23 -0.04 0.97 0.75 2zvyA1 VAL 145 HG23 0.01 -0.04 -0.25 -0.04 0.95 0.63 2zvyA1 GLN 146 H 0.01 0.17 0.12 -0.55 8.47 8.23 2zvyA1 GLN 146 HA 0.01 0.12 0.40 -0.75 4.36 4.13 2zvyA1 GLN 146 HB2 0.01 0.05 0.11 -0.04 2.15 2.27 2zvyA1 GLN 146 HB3 0.01 -0.02 0.13 -0.04 2.02 2.10 2zvyA1 GLN 146 HG2 0.01 -0.01 -0.25 -0.04 2.40 2.10 2zvyA1 GLN 146 HG3 0.01 -0.01 -0.06 -0.04 2.39 2.29 2zvyA1 GLN 146 HE21 0.01 0.02 -0.03 -0.04 6.97 6.93 2zvyA1 GLN 146 HE22 0.01 -0.01 -0.05 -0.04 7.69 7.60 2zvyA1 GLU 147 H 0.01 0.05 -0.27 -0.55 8.60 7.85 2zvyA1 GLU 147 HA 0.01 0.08 0.55 -0.75 4.29 4.18 2zvyA1 GLU 147 HB2 0.01 0.02 -0.10 -0.04 2.09 1.98 2zvyA1 GLU 147 HB3 0.01 0.00 0.03 -0.04 1.99 2.00 2zvyA1 GLU 147 HG2 0.01 0.06 -0.05 -0.04 2.34 2.32 2zvyA1 GLU 147 HG3 0.01 0.01 -0.06 -0.04 2.34 2.26 2zvyA1 GLY 148 H 0.01 0.41 -0.41 -0.55 8.43 7.89 2zvyA1 GLY 148 HA2 0.01 -0.01 0.27 -0.51 4.01 3.77 2zvyA1 GLY 148 HA3 0.01 0.36 0.94 -0.51 4.01 4.81 2zvyA1 LEU 149 H 0.01 0.66 0.27 -0.55 8.37 8.77 2zvyA1 LEU 149 HA 0.01 0.15 1.10 -0.75 4.35 4.86 2zvyA1 LEU 149 HB2 0.01 -0.02 0.01 -0.04 1.64 1.59 2zvyA1 LEU 149 HB3 0.01 -0.01 0.19 -0.04 1.64 1.79 2zvyA1 LEU 149 HG 0.01 0.03 -0.32 -0.04 1.64 1.32 2zvyA1 LEU 149 HD13 0.01 0.03 -0.12 -0.04 0.93 0.81 2zvyA1 LEU 149 HD23 0.01 0.03 -0.09 -0.04 0.89 0.80 2zvyA1 ARG 150 H 0.01 0.75 0.37 -0.55 8.46 9.04 2zvyA1 ARG 150 HA 0.02 0.28 1.18 -0.75 4.34 5.07 2zvyA1 ARG 150 HB2 0.02 -0.10 -0.09 -0.04 1.90 1.69 2zvyA1 ARG 150 HB3 0.02 0.02 0.09 -0.04 1.80 1.88 2zvyA1 ARG 150 HG2 0.02 0.03 -0.43 -0.04 1.67 1.25 2zvyA1 ARG 150 HG3 0.03 0.02 -0.18 -0.04 1.67 1.51 2zvyA1 ARG 150 HD2 0.03 0.02 -0.17 -0.04 3.22 3.05 2zvyA1 ARG 150 HD3 0.03 -0.05 -0.15 -0.04 3.22 3.01 2zvyA1 ILE 151 H 0.03 0.79 0.39 -0.55 8.25 8.90 2zvyA1 ILE 151 HA 0.02 0.19 1.03 -0.75 4.18 4.68 2zvyA1 ILE 151 HB 0.03 -0.04 0.23 -0.04 1.89 2.06 2zvyA1 ILE 151 HG12 0.02 0.01 -0.08 -0.04 1.49 1.40 2zvyA1 ILE 151 HG13 0.02 -0.09 -0.42 -0.04 1.21 0.68 2zvyA1 ILE 151 HG23 0.03 0.00 -0.16 -0.04 0.93 0.76 2zvyA1 ILE 151 HD13 0.02 0.00 -0.08 -0.04 0.88 0.78 2zvyA1 GLN 152 H 0.03 0.81 0.36 -0.55 8.47 9.13 2zvyA1 GLN 152 HA 0.05 0.24 1.15 -0.75 4.36 5.05 2zvyA1 GLN 152 HB2 0.02 0.00 0.16 -0.04 2.15 2.29 2zvyA1 GLN 152 HB3 0.03 0.00 -0.04 -0.04 2.02 1.97 2zvyA1 GLN 152 HG2 0.03 -0.05 -0.16 -0.04 2.40 2.19 2zvyA1 GLN 152 HG3 0.02 0.02 -0.17 -0.04 2.39 2.22 2zvyA1 GLN 152 HE21 -0.01 -0.01 -0.10 -0.04 6.97 6.80 2zvyA1 GLN 152 HE22 0.00 0.02 -0.14 -0.04 7.69 7.54 2zvyA1 ILE 153 H 0.07 0.65 0.34 -0.55 8.25 8.76 2zvyA1 ILE 153 HA 0.07 0.34 0.94 -0.75 4.18 4.78 2zvyA1 ILE 153 HB 0.06 -0.13 0.27 -0.04 1.89 2.05 2zvyA1 ILE 153 HG12 0.04 0.08 -0.15 -0.04 1.49 1.42 2zvyA1 ILE 153 HG13 0.05 -0.01 -0.25 -0.04 1.21 0.95 2zvyA1 ILE 153 HG23 0.03 -0.00 -0.05 -0.04 0.93 0.86 2zvyA1 ILE 153 HD13 0.03 -0.02 -0.07 -0.04 0.88 0.78 2zvyA1 ILE 154 H 0.10 0.86 0.30 -0.55 8.25 8.96 2zvyA1 ILE 154 HA 0.08 0.10 1.11 -0.75 4.18 4.72 2zvyA1 ILE 154 HB 0.07 0.08 0.07 -0.04 1.89 2.06 2zvyA1 ILE 154 HG12 0.04 -0.03 -0.17 -0.04 1.49 1.29 2zvyA1 ILE 154 HG13 0.05 -0.04 -0.30 -0.04 1.21 0.88 2zvyA1 ILE 154 HG23 0.04 0.08 -0.04 -0.04 0.93 0.97 2zvyA1 ILE 154 HD13 0.01 -0.00 -0.08 -0.04 0.88 0.76 2zvyA1 ASP 155 H 0.09 0.58 0.36 -0.55 8.40 8.88 2zvyA1 ASP 155 HA 0.10 0.08 0.57 -0.75 4.63 4.63 2zvyA1 ASP 155 HB2 0.07 0.32 0.25 -0.04 2.71 3.30 2zvyA1 ASP 155 HB3 0.07 -0.01 -0.02 -0.04 2.70 2.70 2zvyA1 SER 156 H 0.16 0.47 0.11 -0.55 8.46 8.65 2zvyA1 SER 156 HA 0.05 0.14 0.62 -0.75 4.49 4.55 2zvyA1 SER 156 HB2 0.00 -0.02 0.09 -0.04 3.95 3.99 2zvyA1 SER 156 HB3 0.09 0.19 -0.05 -0.04 3.93 4.13 2zvyA1 GLN 157 H 0.02 0.19 0.11 -0.55 8.47 8.24 2zvyA1 GLN 157 HA 0.03 0.08 0.36 -0.75 4.36 4.07 2zvyA1 GLN 157 HB2 0.01 0.00 0.17 -0.04 2.15 2.29 2zvyA1 GLN 157 HB3 0.01 0.04 0.02 -0.04 2.02 2.05 2zvyA1 GLN 157 HG2 0.01 -0.12 0.05 -0.04 2.40 2.30 2zvyA1 GLN 157 HG3 0.00 0.16 0.10 -0.04 2.39 2.61 2zvyA1 GLN 157 HE21 0.00 -0.00 -0.05 -0.04 6.97 6.88 2zvyA1 GLN 157 HE22 -0.00 0.07 -0.01 -0.04 7.69 7.71 2zvyA1 ASN 158 H 0.02 0.05 -0.17 -0.55 8.53 7.88 2zvyA1 ASN 158 HA 0.02 0.16 0.63 -0.75 4.76 4.81 2zvyA1 ASN 158 HB2 -0.00 0.01 0.01 -0.04 2.88 2.86 2zvyA1 ASN 158 HB3 -0.00 0.03 0.08 -0.04 2.79 2.86 2zvyA1 ASN 158 HD21 -0.01 0.01 0.01 -0.04 7.03 7.00 2zvyA1 ASN 158 HD22 -0.01 0.03 0.01 -0.04 7.74 7.74 2zvyA1 ARG 159 H 0.06 0.04 -0.47 -0.55 8.46 7.54 2zvyA1 ARG 159 HA 0.02 0.24 0.90 -0.75 4.34 4.74 2zvyA1 ARG 159 HB2 0.11 -0.06 0.08 -0.04 1.90 1.98 2zvyA1 ARG 159 HB3 -0.35 0.02 0.03 -0.04 1.80 1.46 2zvyA1 ARG 159 HG2 -0.18 0.11 -0.05 -0.04 1.67 1.50 2zvyA1 ARG 159 HG3 -0.06 -0.09 -0.29 -0.04 1.67 1.19 2zvyA1 ARG 159 HD2 -0.66 -0.02 -0.04 -0.04 3.22 2.46 2zvyA1 ARG 159 HD3 -0.20 -0.01 -0.04 -0.04 3.22 2.93 2zvyA1 PRO 160 HA 0.07 0.03 0.65 -0.51 4.44 4.68 2zvyA1 PRO 160 HB2 0.07 0.19 0.00 -0.04 2.28 2.51 2zvyA1 PRO 160 HB3 0.06 0.04 0.07 -0.04 2.02 2.15 2zvyA1 PRO 160 HG2 0.08 -0.05 -0.15 -0.04 2.03 1.87 2zvyA1 PRO 160 HG3 0.05 -0.02 -0.01 -0.04 2.03 2.02 2zvyA1 PRO 160 HD2 0.11 0.13 0.05 -0.04 3.68 3.93 2zvyA1 PRO 160 HD3 0.06 0.23 -0.22 -0.04 3.65 3.68 2zvyA1 MET 161 H 0.05 0.17 0.13 -0.55 8.47 8.27 2zvyA1 MET 161 HA -0.18 0.07 0.49 -0.75 4.52 4.15 2zvyA1 MET 161 HB2 0.01 0.01 0.01 -0.04 2.15 2.14 2zvyA1 MET 161 HB3 -0.37 -0.05 0.04 -0.04 2.03 1.62 2zvyA1 MET 161 HG2 -0.03 0.04 -0.15 -0.04 2.63 2.45 2zvyA1 MET 161 HG3 -0.02 0.06 -0.12 -0.04 2.56 2.43 2zvyA1 MET 161 HE3 -0.46 0.04 -0.21 -0.04 2.10 1.43 2zvyA1 PHE 162 H 0.12 0.16 -0.17 -0.55 8.34 7.89 2zvyA1 PHE 162 HA -0.06 0.23 0.66 -0.75 4.62 4.69 2zvyA1 PHE 162 HB2 -0.03 -0.12 -0.03 -0.04 3.15 2.93 2zvyA1 PHE 162 HB3 -0.03 0.29 -0.08 -0.04 3.06 3.20 2zvyA1 PHE 162 HD2 -0.02 -0.04 -0.50 -0.04 7.28 6.68 2zvyA1 PHE 162 HE2 -0.02 0.05 -0.23 -0.04 7.38 7.14 2zvyA1 PHE 162 HZ -0.02 0.08 -0.05 -0.04 7.32 7.29 2zvyA1 LYS 163 H 0.07 0.18 0.03 -0.55 8.42 8.15 2zvyA1 LYS 163 HA 0.04 0.08 0.46 -0.75 4.32 4.15 2zvyA1 LYS 163 HB2 0.03 -0.02 0.05 -0.04 1.87 1.90 2zvyA1 LYS 163 HB3 0.02 0.04 0.04 -0.04 1.79 1.85 2zvyA1 LYS 163 HG2 0.03 0.04 0.02 -0.04 1.46 1.51 2zvyA1 LYS 163 HG3 0.01 -0.00 -0.01 -0.04 1.46 1.41 2zvyA1 LYS 163 HD2 0.01 -0.00 -0.00 -0.04 1.69 1.65 2zvyA1 LYS 163 HD3 0.02 0.00 0.01 -0.04 1.68 1.67 2zvyA1 LYS 163 HE2 0.02 0.02 0.01 -0.04 2.99 3.00 2zvyA1 LYS 163 HE3 0.00 0.00 -0.00 -0.04 2.99 2.95 2zvyA1 THR 164 H 0.01 0.13 0.15 -0.55 8.28 8.03 2zvyA1 THR 164 HA -0.05 -0.02 0.37 -0.75 4.39 3.94 2zvyA1 THR 164 HB -0.01 0.01 0.14 -0.04 4.32 4.41 2zvyA1 THR 164 HG23 -0.07 -0.00 -0.10 -0.04 1.22 1.01 2zvyA1 GLY 165 H -0.20 0.07 0.14 -0.55 8.43 7.89 2zvyA1 GLY 165 HA2 -0.34 -0.08 0.27 -0.51 4.01 3.35 2zvyA1 GLY 165 HA3 -0.02 0.12 0.43 -0.51 4.01 4.03 2zvyA1 SER 166 H -0.00 0.60 -0.34 -0.55 8.46 8.17 2zvyA1 SER 166 HA 0.03 0.16 0.89 -0.75 4.49 4.81 2zvyA1 SER 166 HB2 0.03 0.05 -0.10 -0.04 3.95 3.89 2zvyA1 SER 166 HB3 0.06 0.14 -0.02 -0.04 3.93 4.06 2zvyA1 ALA 167 H 0.04 0.17 0.08 -0.55 8.40 8.14 2zvyA1 ALA 167 HA -0.27 0.19 0.67 -0.75 4.34 4.18 2zvyA1 ALA 167 HB3 -0.00 0.02 -0.05 -0.04 1.41 1.33 2zvyA1 GLU 168 H 0.16 0.03 -0.27 -0.55 8.60 7.98 2zvyA1 GLU 168 HA 0.13 0.12 0.71 -0.75 4.29 4.50 2zvyA1 GLU 168 HB2 0.05 -0.02 0.02 -0.04 2.09 2.10 2zvyA1 GLU 168 HB3 0.07 -0.07 0.07 -0.04 1.99 2.02 2zvyA1 GLU 168 HG2 -0.01 0.19 -0.31 -0.04 2.34 2.18 2zvyA1 GLU 168 HG3 0.02 0.01 -0.01 -0.04 2.34 2.31 2zvyA1 VAL 169 H 0.05 0.12 0.11 -0.55 8.24 7.97 2zvyA1 VAL 169 HA -0.73 0.15 0.40 -0.75 4.13 3.20 2zvyA1 VAL 169 HB -0.36 -0.01 0.01 -0.04 2.12 1.72 2zvyA1 VAL 169 HG13 -0.12 0.01 -0.08 -0.04 0.97 0.74 2zvyA1 VAL 169 HG23 -0.10 -0.01 -0.06 -0.04 0.95 0.74 2zvyA1 GLU 170 H -0.55 0.58 0.33 -0.55 8.60 8.42 2zvyA1 GLU 170 HA -0.27 0.14 0.58 -0.75 4.29 3.98 2zvyA1 GLU 170 HB2 -0.84 0.03 0.12 -0.04 2.09 1.37 2zvyA1 GLU 170 HB3 -0.99 -0.07 0.09 -0.04 1.99 0.98 2zvyA1 GLU 170 HG2 -0.21 -0.05 -0.25 -0.04 2.34 1.79 2zvyA1 GLU 170 HG3 -0.15 0.19 -0.13 -0.04 2.34 2.21 2zvyA1 PRO 171 HA -0.14 0.10 0.42 -0.51 4.44 4.31 2zvyA1 PRO 171 HB2 -0.01 0.01 0.09 -0.04 2.28 2.33 2zvyA1 PRO 171 HB3 -0.04 0.06 0.07 -0.04 2.02 2.08 2zvyA1 PRO 171 HG2 -0.03 0.06 0.09 -0.04 2.03 2.11 2zvyA1 PRO 171 HG3 -0.07 0.08 0.09 -0.04 2.03 2.08 2zvyA1 PRO 171 HD2 -0.22 0.11 0.21 -0.04 3.68 3.74 2zvyA1 PRO 171 HD3 -0.17 0.18 0.23 -0.04 3.65 3.85 2zvyA1 TYR 172 H -0.61 0.17 -0.13 -0.55 8.29 7.17 2zvyA1 TYR 172 HA -0.05 0.10 0.44 -0.75 4.56 4.29 2zvyA1 TYR 172 HB2 -0.07 0.08 -0.02 -0.04 3.06 3.01 2zvyA1 TYR 172 HB3 -0.04 0.04 0.04 -0.04 2.98 2.97 2zvyA1 TYR 172 HD2 -0.13 0.01 -0.11 -0.04 7.15 6.87 2zvyA1 TYR 172 HE2 -0.14 0.04 -0.22 -0.04 6.85 6.49 2zvyA1 MET 173 H -0.58 0.17 -0.40 -0.55 8.47 7.11 2zvyA1 MET 173 HA -0.12 0.10 0.49 -0.75 4.52 4.24 2zvyA1 MET 173 HB2 -0.42 -0.02 0.17 -0.04 2.15 1.84 2zvyA1 MET 173 HB3 -0.45 0.11 0.18 -0.04 2.03 1.83 2zvyA1 MET 173 HG2 -0.67 0.02 -0.01 -0.04 2.63 1.93 2zvyA1 MET 173 HG3 -0.26 -0.00 -0.22 -0.04 2.56 2.03 2zvyA1 MET 173 HE3 0.02 -0.00 -0.02 -0.04 2.10 2.05 2zvyA1 ARG 174 H -0.21 0.49 -0.11 -0.55 8.46 8.07 2zvyA1 ARG 174 HA -0.08 0.01 0.38 -0.75 4.34 3.90 2zvyA1 ARG 174 HB2 -0.10 -0.01 0.02 -0.04 1.90 1.77 2zvyA1 ARG 174 HB3 -0.09 0.16 0.13 -0.04 1.80 1.95 2zvyA1 ARG 174 HG2 -0.04 0.01 -0.32 -0.04 1.67 1.28 2zvyA1 ARG 174 HG3 -0.04 -0.02 -0.00 -0.04 1.67 1.56 2zvyA1 ARG 174 HD2 -0.04 0.00 -0.05 -0.04 3.22 3.09 2zvyA1 ARG 174 HD3 -0.03 0.01 -0.06 -0.04 3.22 3.11 2zvyA1 ASP 175 H -0.05 0.43 -0.23 -0.55 8.40 8.01 2zvyA1 ASP 175 HA -0.01 0.03 0.32 -0.75 4.63 4.22 2zvyA1 ASP 175 HB2 0.02 0.07 0.10 -0.04 2.71 2.86 2zvyA1 ASP 175 HB3 0.01 -0.03 -0.06 -0.04 2.70 2.59 2zvyA1 ILE 176 H -0.01 0.45 -0.25 -0.55 8.25 7.90 2zvyA1 ILE 176 HA 0.01 0.03 0.41 -0.75 4.18 3.88 2zvyA1 ILE 176 HB -0.01 0.06 0.18 -0.04 1.89 2.08 2zvyA1 ILE 176 HG12 0.04 -0.02 0.02 -0.04 1.49 1.48 2zvyA1 ILE 176 HG13 0.04 0.15 0.11 -0.04 1.21 1.47 2zvyA1 ILE 176 HG23 0.02 -0.01 -0.18 -0.04 0.93 0.72 2zvyA1 ILE 176 HD13 0.05 -0.03 -0.04 -0.04 0.88 0.82 2zvyA1 LEU 177 H -0.02 0.56 -0.08 -0.55 8.37 8.28 2zvyA1 LEU 177 HA 0.00 -0.00 0.36 -0.75 4.35 3.96 2zvyA1 LEU 177 HB2 -0.02 0.07 0.09 -0.04 1.64 1.74 2zvyA1 LEU 177 HB3 -0.00 -0.04 -0.09 -0.04 1.64 1.46 2zvyA1 LEU 177 HG -0.03 0.07 0.07 -0.04 1.64 1.71 2zvyA1 LEU 177 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.84 2zvyA1 LEU 177 HD23 0.02 -0.01 -0.03 -0.04 0.89 0.83 2zvyA1 ARG 178 H -0.01 0.64 -0.15 -0.55 8.46 8.38 2zvyA1 ARG 178 HA -0.00 0.05 0.47 -0.75 4.34 4.10 2zvyA1 ARG 178 HB2 -0.01 0.03 0.06 -0.04 1.90 1.95 2zvyA1 ARG 178 HB3 -0.00 -0.01 0.05 -0.04 1.80 1.79 2zvyA1 ARG 178 HG2 -0.01 0.14 -0.00 -0.04 1.67 1.76 2zvyA1 ARG 178 HG3 -0.02 0.13 0.05 -0.04 1.67 1.79 2zvyA1 ARG 178 HD2 -0.01 -0.05 -0.08 -0.04 3.22 3.04 2zvyA1 ARG 178 HD3 -0.01 0.06 -0.14 -0.04 3.22 3.09 2zvyA1 ALA 179 H 0.00 0.39 -0.35 -0.55 8.40 7.89 2zvyA1 ALA 179 HA 0.00 0.04 0.50 -0.75 4.34 4.13 2zvyA1 ALA 179 HB3 0.01 0.00 0.10 -0.04 1.41 1.48 2zvyA1 ILE 180 H 0.01 0.48 -0.06 -0.55 8.25 8.12 2zvyA1 ILE 180 HA 0.01 0.06 0.50 -0.75 4.18 3.99 2zvyA1 ILE 180 HB 0.01 -0.08 0.04 -0.04 1.89 1.82 2zvyA1 ILE 180 HG12 0.01 0.19 0.13 -0.04 1.49 1.78 2zvyA1 ILE 180 HG13 0.01 0.03 -0.17 -0.04 1.21 1.04 2zvyA1 ILE 180 HG23 0.01 0.04 -0.01 -0.04 0.93 0.93 2zvyA1 ILE 180 HD13 0.02 -0.04 -0.09 -0.04 0.88 0.73 2zvyA1 ALA 181 H 0.01 0.38 -0.33 -0.55 8.40 7.91 2zvyA1 ALA 181 HA 0.01 -0.09 0.26 -0.75 4.34 3.77 2zvyA1 ALA 181 HB3 0.01 0.06 -0.00 -0.04 1.41 1.44 2zvyA1 PRO 182 HA 0.01 0.06 0.38 -0.51 4.44 4.38 2zvyA1 PRO 182 HB2 0.00 -0.05 -0.03 -0.04 2.28 2.17 2zvyA1 PRO 182 HB3 0.00 0.06 0.10 -0.04 2.02 2.15 2zvyA1 PRO 182 HG2 0.01 0.00 0.03 -0.04 2.03 2.03 2zvyA1 PRO 182 HG3 0.00 0.02 0.09 -0.04 2.03 2.10 2zvyA1 PRO 182 HD2 0.01 0.12 -0.31 -0.04 3.68 3.45 2zvyA1 PRO 182 HD3 0.00 0.41 0.13 -0.04 3.65 4.15 2zvyA1 VAL 183 H 0.01 0.32 -0.34 -0.55 8.24 7.68 2zvyA1 VAL 183 HA 0.01 0.03 0.46 -0.75 4.13 3.87 2zvyA1 VAL 183 HB 0.01 0.14 0.11 -0.04 2.12 2.34 2zvyA1 VAL 183 HG13 0.01 -0.03 -0.12 -0.04 0.97 0.79 2zvyA1 VAL 183 HG23 0.01 0.01 0.01 -0.04 0.95 0.93 2zvyA1 LEU 184 H 0.01 0.58 -0.10 -0.55 8.37 8.31 2zvyA1 LEU 184 HA 0.01 -0.04 0.38 -0.75 4.35 3.95 2zvyA1 LEU 184 HB2 0.01 0.21 0.08 -0.04 1.64 1.90 2zvyA1 LEU 184 HB3 0.01 -0.05 0.00 -0.04 1.64 1.56 2zvyA1 LEU 184 HG 0.01 0.19 -0.07 -0.04 1.64 1.73 2zvyA1 LEU 184 HD13 0.01 -0.03 -0.12 -0.04 0.93 0.75 2zvyA1 LEU 184 HD23 0.01 -0.03 -0.06 -0.04 0.89 0.77 2zvyA1 ASN 185 H 0.01 0.30 -0.57 -0.55 8.53 7.72 2zvyA1 ASN 185 HA 0.01 0.09 0.47 -0.75 4.76 4.58 2zvyA1 ASN 185 HB2 0.01 0.29 0.10 -0.04 2.88 3.24 2zvyA1 ASN 185 HB3 0.01 -0.09 0.09 -0.04 2.79 2.76 2zvyA1 ASN 185 HD21 0.01 0.35 -0.03 -0.04 7.03 7.32 2zvyA1 ASN 185 HD22 0.01 -0.02 0.02 -0.04 7.74 7.70 2zvyA1 GLY 186 H 0.01 0.51 -0.47 -0.55 8.43 7.93 2zvyA1 GLY 186 HA2 0.01 -0.04 0.37 -0.51 4.01 3.83 2zvyA1 GLY 186 HA3 0.01 -0.00 0.30 -0.51 4.01 3.81 2zvyA1 ILE 187 H 0.01 0.35 -0.29 -0.55 8.25 7.77 2zvyA1 ILE 187 HA 0.01 0.17 0.88 -0.75 4.18 4.48 2zvyA1 ILE 187 HB 0.01 -0.11 0.09 -0.04 1.89 1.84 2zvyA1 ILE 187 HG12 0.01 0.07 0.02 -0.04 1.49 1.55 2zvyA1 ILE 187 HG13 0.01 0.05 -0.10 -0.04 1.21 1.13 2zvyA1 ILE 187 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.76 2zvyA1 ILE 187 HD13 0.01 -0.02 -0.07 -0.04 0.88 0.76 2zvyA1 PRO 188 HA 0.01 0.18 0.48 -0.51 4.44 4.60 2zvyA1 PRO 188 HB2 0.01 -0.05 -0.01 -0.04 2.28 2.19 2zvyA1 PRO 188 HB3 0.01 0.02 0.09 -0.04 2.02 2.10 2zvyA1 PRO 188 HG2 0.01 -0.03 0.07 -0.04 2.03 2.04 2zvyA1 PRO 188 HG3 0.01 0.09 0.03 -0.04 2.03 2.11 2zvyA1 PRO 188 HD2 0.01 0.01 0.19 -0.04 3.68 3.86 2zvyA1 PRO 188 HD3 0.01 0.17 0.24 -0.04 3.65 4.03 2zvyA1 ASN 189 H 0.01 -0.03 -0.30 -0.55 8.53 7.66 2zvyA1 ASN 189 HA 0.01 -0.09 0.33 -0.75 4.76 4.27 2zvyA1 ASN 189 HB2 0.01 -0.00 -0.02 -0.04 2.88 2.83 2zvyA1 ASN 189 HB3 0.01 0.21 0.04 -0.04 2.79 3.01 2zvyA1 ASN 189 HD21 0.01 -0.18 0.05 -0.04 7.03 6.87 2zvyA1 ASN 189 HD22 0.01 0.61 0.08 -0.04 7.74 8.40 2zvyA1 ARG 190 H 0.01 -0.02 0.22 -0.55 8.46 8.12 2zvyA1 ARG 190 HA 0.01 0.29 0.83 -0.75 4.34 4.72 2zvyA1 ARG 190 HB2 0.02 -0.17 0.10 -0.04 1.90 1.80 2zvyA1 ARG 190 HB3 0.02 0.07 0.15 -0.04 1.80 2.00 2zvyA1 ARG 190 HG2 0.01 0.16 0.04 -0.04 1.67 1.85 2zvyA1 ARG 190 HG3 0.02 -0.12 0.06 -0.04 1.67 1.59 2zvyA1 ARG 190 HD2 0.02 -0.07 0.00 -0.04 3.22 3.13 2zvyA1 ARG 190 HD3 0.02 -0.13 0.00 -0.04 3.22 3.08 2zvyA1 ILE 191 H 0.01 0.60 0.42 -0.55 8.25 8.73 2zvyA1 ILE 191 HA 0.02 0.24 1.23 -0.75 4.18 4.91 2zvyA1 ILE 191 HB 0.01 -0.07 -0.08 -0.04 1.89 1.71 2zvyA1 ILE 191 HG12 0.02 -0.03 -0.22 -0.04 1.49 1.21 2zvyA1 ILE 191 HG13 0.01 0.07 -0.48 -0.04 1.21 0.77 2zvyA1 ILE 191 HG23 0.02 0.02 -0.19 -0.04 0.93 0.74 2zvyA1 ILE 191 HD13 0.01 -0.00 -0.14 -0.04 0.88 0.71 2zvyA1 SER 192 H 0.02 0.57 0.39 -0.55 8.46 8.89 2zvyA1 SER 192 HA 0.01 0.20 1.05 -0.75 4.49 5.00 2zvyA1 SER 192 HB2 0.02 -0.00 -0.03 -0.04 3.95 3.89 2zvyA1 SER 192 HB3 0.02 -0.04 0.09 -0.04 3.93 3.96 2zvyA1 LEU 193 H 0.01 0.64 0.42 -0.55 8.37 8.89 2zvyA1 LEU 193 HA 0.02 0.35 1.18 -0.75 4.35 5.14 2zvyA1 LEU 193 HB2 0.01 -0.05 0.23 -0.04 1.64 1.79 2zvyA1 LEU 193 HB3 0.02 -0.01 0.07 -0.04 1.64 1.68 2zvyA1 LEU 193 HG 0.02 -0.04 -0.27 -0.04 1.64 1.31 2zvyA1 LEU 193 HD13 0.02 0.03 -0.04 -0.04 0.93 0.90 2zvyA1 LEU 193 HD23 0.03 0.03 -0.03 -0.04 0.89 0.88 2zvyA1 ALA 194 H 0.02 0.69 0.39 -0.55 8.40 8.95 2zvyA1 ALA 194 HA -0.05 0.23 1.14 -0.75 4.34 4.90 2zvyA1 ALA 194 HB3 -0.05 -0.01 -0.04 -0.04 1.41 1.27 2zvyA1 GLY 195 H -0.13 0.58 0.41 -0.55 8.43 8.74 2zvyA1 GLY 195 HA2 -0.06 0.24 1.12 -0.51 4.01 4.80 2zvyA1 GLY 195 HA3 -0.10 0.13 0.48 -0.51 4.01 4.00 2zvyA1 HIS 196 H 0.03 0.69 0.41 -0.55 8.41 8.99 2zvyA1 HIS 196 HA -0.08 0.13 0.87 -0.75 4.63 4.80 2zvyA1 HIS 196 HB2 -0.01 -0.02 0.18 -0.04 3.26 3.37 2zvyA1 HIS 196 HB3 -0.03 0.10 0.02 -0.04 3.20 3.24 2zvyA1 HIS 196 HD2 0.01 0.05 -0.22 -0.04 6.97 6.76 2zvyA1 HIS 196 HE1 0.00 -0.02 -0.11 -0.04 7.75 7.58 2zvyA1 THR 197 H -0.08 0.69 0.17 -0.55 8.28 8.52 2zvyA1 THR 197 HA -0.04 0.18 0.93 -0.75 4.39 4.71 2zvyA1 THR 197 HB -0.13 -0.04 0.04 -0.04 4.32 4.16 2zvyA1 THR 197 HG23 -0.14 -0.06 -0.09 -0.04 1.22 0.90 2zvyA1 ASP 198 H -0.05 0.18 0.05 -0.55 8.40 8.03 2zvyA1 ASP 198 HA -0.02 0.13 0.77 -0.75 4.63 4.76 2zvyA1 ASP 198 HB2 0.04 0.01 0.14 -0.04 2.71 2.86 2zvyA1 ASP 198 HB3 0.01 0.05 -0.15 -0.04 2.70 2.56 2zvyA1 ASP 199 H -0.15 0.02 -0.01 -0.55 8.40 7.71 2zvyA1 ASP 199 HA -0.13 0.09 0.35 -0.75 4.63 4.18 2zvyA1 ASP 199 HB2 -0.66 -0.06 0.05 -0.04 2.71 2.01 2zvyA1 ASP 199 HB3 -0.54 0.03 -0.02 -0.04 2.70 2.13 2zvyA1 PHE 200 H -0.16 -0.08 -0.23 -0.55 8.34 7.31 2zvyA1 PHE 200 HA 0.03 0.20 0.62 -0.75 4.62 4.71 2zvyA1 PHE 200 HB2 0.01 -0.17 -0.05 -0.04 3.15 2.90 2zvyA1 PHE 200 HB3 0.03 0.13 0.05 -0.04 3.06 3.23 2zvyA1 PHE 200 HD2 0.04 -0.06 -0.25 -0.04 7.28 6.97 2zvyA1 PHE 200 HE2 0.17 0.02 -0.12 -0.04 7.38 7.41 2zvyA1 PHE 200 HZ 0.08 0.12 -0.03 -0.04 7.32 7.45 2zvyA1 PRO 201 HA 0.11 0.02 0.39 -0.51 4.44 4.46 2zvyA1 PRO 201 HB2 0.08 -0.05 0.00 -0.04 2.28 2.27 2zvyA1 PRO 201 HB3 0.08 0.06 0.04 -0.04 2.02 2.16 2zvyA1 PRO 201 HG2 0.08 0.03 0.05 -0.04 2.03 2.15 2zvyA1 PRO 201 HG3 0.09 0.08 0.08 -0.04 2.03 2.24 2zvyA1 PRO 201 HD2 0.18 0.08 0.14 -0.04 3.68 4.04 2zvyA1 PRO 201 HD3 0.23 0.17 0.20 -0.04 3.65 4.21 2zvyA1 TYR 202 H 0.19 0.11 0.17 -0.55 8.29 8.21 2zvyA1 TYR 202 HA -0.00 -0.03 0.45 -0.75 4.56 4.22 2zvyA1 TYR 202 HB2 0.00 0.03 0.19 -0.04 3.06 3.24 2zvyA1 TYR 202 HB3 0.01 -0.00 0.16 -0.04 2.98 3.11 2zvyA1 TYR 202 HD2 -0.01 -0.01 0.01 -0.04 7.15 7.10 2zvyA1 TYR 202 HE2 -0.01 0.12 -0.01 -0.04 6.85 6.90 2zvyA1 ALA 203 H -0.30 0.04 0.22 -0.55 8.40 7.82 2zvyA1 ALA 203 HA -0.13 -0.06 0.37 -0.75 4.34 3.76 2zvyA1 ALA 203 HB3 -0.33 0.03 0.04 -0.04 1.41 1.11 2zvyA1 ASN 204 H -0.00 0.33 -0.13 -0.55 8.53 8.18 2zvyA1 ASN 204 HA 0.01 0.16 0.91 -0.75 4.76 5.09 2zvyA1 ASN 204 HB2 0.04 0.05 -0.19 -0.04 2.88 2.75 2zvyA1 ASN 204 HB3 0.03 -0.04 -0.06 -0.04 2.79 2.67 2zvyA1 ASN 204 HD21 0.04 0.02 -0.01 -0.04 7.03 7.03 2zvyA1 ASN 204 HD22 0.02 -0.11 0.06 -0.04 7.74 7.68 2zvyA1 GLY 205 H 0.01 0.20 0.13 -0.55 8.43 8.22 2zvyA1 GLY 205 HA2 -0.00 0.03 0.34 -0.51 4.01 3.87 2zvyA1 GLY 205 HA3 -0.01 0.12 0.36 -0.51 4.01 3.97 2zvyA1 GLU 206 H 0.03 0.11 -0.46 -0.55 8.60 7.73 2zvyA1 GLU 206 HA 0.07 0.11 0.35 -0.75 4.29 4.07 2zvyA1 GLU 206 HB2 0.05 0.04 -0.07 -0.04 2.09 2.07 2zvyA1 GLU 206 HB3 0.13 0.01 0.10 -0.04 1.99 2.19 2zvyA1 GLU 206 HG2 0.10 0.03 -0.13 -0.04 2.34 2.29 2zvyA1 GLU 206 HG3 0.06 0.05 -0.35 -0.04 2.34 2.05 2zvyA1 LYS 207 H 0.00 -0.05 -0.82 -0.55 8.42 7.00 2zvyA1 LYS 207 HA -0.01 0.13 0.55 -0.75 4.32 4.24 2zvyA1 LYS 207 HB2 -0.01 0.04 0.07 -0.04 1.87 1.93 2zvyA1 LYS 207 HB3 -0.01 -0.04 0.01 -0.04 1.79 1.71 2zvyA1 LYS 207 HG2 -0.00 -0.12 -0.07 -0.04 1.46 1.22 2zvyA1 LYS 207 HG3 -0.01 0.06 -0.26 -0.04 1.46 1.21 2zvyA1 LYS 207 HD2 -0.01 0.03 -0.03 -0.04 1.69 1.64 2zvyA1 LYS 207 HD3 -0.00 -0.02 -0.02 -0.04 1.68 1.60 2zvyA1 LYS 207 HE2 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2zvyA1 LYS 207 HE3 -0.01 0.02 -0.04 -0.04 2.99 2.92 2zvyA1 GLY 208 H -0.00 0.38 -0.24 -0.55 8.43 8.02 2zvyA1 GLY 208 HA2 0.01 0.20 0.79 -0.51 4.01 4.50 2zvyA1 GLY 208 HA3 0.00 -0.01 0.30 -0.51 4.01 3.80 2zvyA1 TYR 209 H 0.10 0.13 0.13 -0.55 8.29 8.09 2zvyA1 TYR 209 HA -0.01 -0.04 0.48 -0.75 4.56 4.24 2zvyA1 TYR 209 HB2 -0.04 0.03 0.15 -0.04 3.06 3.15 2zvyA1 TYR 209 HB3 -0.14 0.03 0.15 -0.04 2.98 2.98 2zvyA1 TYR 209 HD2 -0.05 0.01 -0.14 -0.04 7.15 6.93 2zvyA1 TYR 209 HE2 0.18 0.02 -0.08 -0.04 6.85 6.92 2zvyA1 SER 210 H -0.21 -0.06 0.26 -0.55 8.46 7.90 2zvyA1 SER 210 HA -0.12 0.31 0.83 -0.75 4.49 4.75 2zvyA1 SER 210 HB2 0.06 -0.12 0.18 -0.04 3.95 4.04 2zvyA1 SER 210 HB3 0.03 0.31 -0.18 -0.04 3.93 4.05 2zvyA1 ASN 211 H 0.06 0.30 0.14 -0.55 8.53 8.49 2zvyA1 ASN 211 HA 0.08 0.07 0.40 -0.75 4.76 4.56 2zvyA1 ASN 211 HB2 -0.27 -0.01 0.14 -0.04 2.88 2.70 2zvyA1 ASN 211 HB3 -0.22 0.13 0.08 -0.04 2.79 2.74 2zvyA1 ASN 211 HD21 0.07 0.54 -0.18 -0.04 7.03 7.41 2zvyA1 ASN 211 HD22 -0.06 -0.12 0.02 -0.04 7.74 7.54 2zvyA1 TRP 212 H 0.03 0.10 -0.30 -0.55 7.97 7.25 2zvyA1 TRP 212 HA -0.07 0.06 0.48 -0.75 4.62 4.33 2zvyA1 TRP 212 HB2 -0.11 -0.02 0.11 -0.04 3.23 3.17 2zvyA1 TRP 212 HB3 -0.09 0.11 -0.02 -0.04 3.23 3.19 2zvyA1 TRP 212 HD1 -0.06 0.02 0.06 -0.04 7.22 7.19 2zvyA1 TRP 212 HE1 -0.07 0.03 0.01 -0.04 10.20 10.14 2zvyA1 TRP 212 HE3 -0.06 -0.03 -0.07 -0.04 7.59 7.38 2zvyA1 TRP 212 HZ2 -0.04 0.03 -0.01 -0.04 7.44 7.37 2zvyA1 TRP 212 HZ3 -0.03 0.25 0.06 -0.04 7.13 7.36 2zvyA1 TRP 212 HH2 -0.02 0.05 -0.01 -0.04 7.19 7.17 2zvyA1 GLU 213 H -0.08 0.04 -0.05 -0.55 8.60 7.97 2zvyA1 GLU 213 HA -0.12 0.12 0.43 -0.75 4.29 3.97 2zvyA1 GLU 213 HB2 -1.23 -0.04 0.18 -0.04 2.09 0.96 2zvyA1 GLU 213 HB3 -0.91 0.07 -0.01 -0.04 1.99 1.11 2zvyA1 GLU 213 HG2 -0.27 0.06 0.03 -0.04 2.34 2.11 2zvyA1 GLU 213 HG3 -0.15 0.07 0.02 -0.04 2.34 2.24 2zvyA1 LEU 214 H -0.19 0.52 -0.10 -0.55 8.37 8.05 2zvyA1 LEU 214 HA 0.10 0.08 0.30 -0.75 4.35 4.07 2zvyA1 LEU 214 HB2 0.41 0.08 -0.02 -0.04 1.64 2.07 2zvyA1 LEU 214 HB3 0.03 -0.06 0.02 -0.04 1.64 1.58 2zvyA1 LEU 214 HG -0.12 0.02 -0.26 -0.04 1.64 1.23 2zvyA1 LEU 214 HD13 0.07 0.06 -0.33 -0.04 0.93 0.69 2zvyA1 LEU 214 HD23 -0.29 -0.03 -0.11 -0.04 0.89 0.41 2zvyA1 SER 215 H -0.09 0.47 -0.29 -0.55 8.46 8.00 2zvyA1 SER 215 HA -0.13 0.06 0.33 -0.75 4.49 3.99 2zvyA1 SER 215 HB2 -0.14 0.12 -0.05 -0.04 3.95 3.84 2zvyA1 SER 215 HB3 -0.16 0.07 0.17 -0.04 3.93 3.96 2zvyA1 ALA 216 H -0.03 0.49 -0.12 -0.55 8.40 8.19 2zvyA1 ALA 216 HA -0.02 0.06 0.36 -0.75 4.34 3.99 2zvyA1 ALA 216 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 2zvyA1 ASP 217 H -0.04 0.67 -0.10 -0.55 8.40 8.39 2zvyA1 ASP 217 HA 0.00 0.03 0.44 -0.75 4.63 4.35 2zvyA1 ASP 217 HB2 0.03 0.06 0.11 -0.04 2.71 2.88 2zvyA1 ASP 217 HB3 0.03 -0.03 0.02 -0.04 2.70 2.67 2zvyA1 ARG 218 H -0.16 0.49 -0.29 -0.55 8.46 7.95 2zvyA1 ARG 218 HA -0.42 0.08 0.52 -0.75 4.34 3.77 2zvyA1 ARG 218 HB2 -0.31 0.08 0.13 -0.04 1.90 1.77 2zvyA1 ARG 218 HB3 -0.58 -0.03 -0.04 -0.04 1.80 1.10 2zvyA1 ARG 218 HG2 -2.01 -0.02 -0.02 -0.04 1.67 -0.42 2zvyA1 ARG 218 HG3 -0.52 0.05 -0.01 -0.04 1.67 1.15 2zvyA1 ARG 218 HD2 -0.32 -0.08 -0.16 -0.04 3.22 2.62 2zvyA1 ARG 218 HD3 -0.55 -0.02 -0.08 -0.04 3.22 2.54 2zvyA1 ALA 219 H -0.07 0.43 -0.16 -0.55 8.40 8.05 2zvyA1 ALA 219 HA 0.02 0.04 0.40 -0.75 4.34 4.05 2zvyA1 ALA 219 HB3 -0.02 0.03 0.04 -0.04 1.41 1.42 2zvyA1 ASN 220 H -0.01 0.53 -0.17 -0.55 8.53 8.33 2zvyA1 ASN 220 HA 0.02 0.04 0.50 -0.75 4.76 4.56 2zvyA1 ASN 220 HB2 0.01 0.10 0.14 -0.04 2.88 3.09 2zvyA1 ASN 220 HB3 0.02 -0.02 -0.02 -0.04 2.79 2.73 2zvyA1 ASN 220 HD21 0.00 -0.02 -0.04 -0.04 7.03 6.94 2zvyA1 ASN 220 HD22 0.01 0.01 -0.06 -0.04 7.74 7.65 2zvyA1 ALA 221 H 0.04 0.49 -0.19 -0.55 8.40 8.19 2zvyA1 ALA 221 HA 0.07 0.01 0.48 -0.75 4.34 4.15 2zvyA1 ALA 221 HB3 0.20 0.01 0.17 -0.04 1.41 1.75 2zvyA1 SER 222 H 0.14 0.49 -0.31 -0.55 8.46 8.23 2zvyA1 SER 222 HA 0.08 0.01 0.42 -0.75 4.49 4.24 2zvyA1 SER 222 HB2 0.09 0.15 0.13 -0.04 3.95 4.27 2zvyA1 SER 222 HB3 0.07 -0.04 0.01 -0.04 3.93 3.93 2zvyA1 ARG 223 H 0.05 0.41 -0.22 -0.55 8.46 8.15 2zvyA1 ARG 223 HA 0.02 0.01 0.38 -0.75 4.34 4.00 2zvyA1 ARG 223 HB2 0.02 0.05 0.13 -0.04 1.90 2.06 2zvyA1 ARG 223 HB3 0.02 0.16 0.19 -0.04 1.80 2.13 2zvyA1 ARG 223 HG2 0.01 -0.03 -0.17 -0.04 1.67 1.45 2zvyA1 ARG 223 HG3 0.01 -0.03 -0.01 -0.04 1.67 1.61 2zvyA1 ARG 223 HD2 0.01 -0.01 -0.07 -0.04 3.22 3.11 2zvyA1 ARG 223 HD3 0.01 -0.03 -0.05 -0.04 3.22 3.11 2zvyA1 ARG 224 H 0.03 0.58 -0.18 -0.55 8.46 8.34 2zvyA1 ARG 224 HA 0.02 0.00 0.39 -0.75 4.34 3.99 2zvyA1 ARG 224 HB2 0.03 0.13 0.14 -0.04 1.90 2.16 2zvyA1 ARG 224 HB3 0.02 -0.05 0.05 -0.04 1.80 1.77 2zvyA1 ARG 224 HG2 0.02 -0.06 0.03 -0.04 1.67 1.62 2zvyA1 ARG 224 HG3 0.03 0.28 0.10 -0.04 1.67 2.03 2zvyA1 ARG 224 HD2 0.02 -0.02 0.01 -0.04 3.22 3.18 2zvyA1 ARG 224 HD3 0.02 -0.04 -0.02 -0.04 3.22 3.14 2zvyA1 GLU 225 H 0.02 0.38 -0.34 -0.55 8.60 8.11 2zvyA1 GLU 225 HA -0.00 0.03 0.48 -0.75 4.29 4.05 2zvyA1 GLU 225 HB2 0.00 0.13 0.13 -0.04 2.09 2.31 2zvyA1 GLU 225 HB3 -0.01 -0.02 -0.00 -0.04 1.99 1.91 2zvyA1 GLU 225 HG2 0.00 0.21 0.06 -0.04 2.34 2.58 2zvyA1 GLU 225 HG3 -0.05 -0.08 -0.01 -0.04 2.34 2.17 2zvyA1 LEU 226 H 0.01 0.52 -0.12 -0.55 8.37 8.24 2zvyA1 LEU 226 HA 0.01 0.12 0.33 -0.75 4.35 4.05 2zvyA1 LEU 226 HB2 0.01 0.12 0.15 -0.04 1.64 1.89 2zvyA1 LEU 226 HB3 0.01 -0.04 -0.02 -0.04 1.64 1.55 2zvyA1 LEU 226 HG 0.02 0.11 0.03 -0.04 1.64 1.76 2zvyA1 LEU 226 HD13 0.02 -0.03 -0.08 -0.04 0.93 0.80 2zvyA1 LEU 226 HD23 0.01 0.04 -0.01 -0.04 0.89 0.89 2zvyA1 VAL 227 H 0.01 0.49 -0.20 -0.55 8.24 7.99 2zvyA1 VAL 227 HA 0.01 0.11 0.43 -0.75 4.13 3.92 2zvyA1 VAL 227 HB 0.01 0.08 0.11 -0.04 2.12 2.28 2zvyA1 VAL 227 HG13 0.01 0.00 -0.11 -0.04 0.97 0.83 2zvyA1 VAL 227 HG23 0.01 0.04 -0.01 -0.04 0.95 0.95 2zvyA1 ALA 228 H 0.00 0.48 -0.17 -0.55 8.40 8.17 2zvyA1 ALA 228 HA 0.00 -0.00 0.43 -0.75 4.34 4.02 2zvyA1 ALA 228 HB3 -0.00 0.00 0.12 -0.04 1.41 1.49 2zvyA1 GLY 229 H 0.00 0.37 -0.46 -0.55 8.43 7.79 2zvyA1 GLY 229 HA2 -0.00 0.01 0.54 -0.51 4.01 4.05 2zvyA1 GLY 229 HA3 0.00 0.01 0.39 -0.51 4.01 3.90 2zvyA1 GLY 230 H 0.00 0.37 -0.56 -0.55 8.43 7.69 2zvyA1 GLY 230 HA2 0.00 -0.02 0.19 -0.51 4.01 3.68 2zvyA1 GLY 230 HA3 0.00 0.14 0.79 -0.51 4.01 4.43 2zvyA1 LEU 231 H 0.01 0.49 0.05 -0.55 8.37 8.37 2zvyA1 LEU 231 HA 0.01 0.06 0.28 -0.75 4.35 3.95 2zvyA1 LEU 231 HB2 0.01 0.02 -0.11 -0.04 1.64 1.52 2zvyA1 LEU 231 HB3 0.01 -0.11 -0.22 -0.04 1.64 1.27 2zvyA1 LEU 231 HG 0.01 0.16 -0.21 -0.04 1.64 1.55 2zvyA1 LEU 231 HD13 0.01 0.01 -0.07 -0.04 0.93 0.84 2zvyA1 LEU 231 HD23 0.01 -0.05 -0.13 -0.04 0.89 0.69 2zvyA1 ASP 232 H 0.01 0.12 0.14 -0.55 8.40 8.12 2zvyA1 ASP 232 HA 0.01 0.03 0.35 -0.75 4.63 4.26 2zvyA1 ASP 232 HB2 0.01 0.01 0.06 -0.04 2.71 2.75 2zvyA1 ASP 232 HB3 0.01 0.05 0.02 -0.04 2.70 2.73 2zvyA1 ASN 233 H 0.01 0.09 0.17 -0.55 8.53 8.25 2zvyA1 ASN 233 HA 0.01 0.04 0.50 -0.75 4.76 4.55 2zvyA1 ASN 233 HB2 0.01 0.00 0.08 -0.04 2.88 2.93 2zvyA1 ASN 233 HB3 0.01 -0.02 0.09 -0.04 2.79 2.82 2zvyA1 ASN 233 HD21 0.00 0.03 0.01 -0.04 7.03 7.03 2zvyA1 ASN 233 HD22 0.00 -0.02 0.03 -0.04 7.74 7.71 2zvyA1 GLY 234 H 0.01 0.10 0.18 -0.55 8.43 8.17 2zvyA1 GLY 234 HA2 0.01 0.02 0.34 -0.51 4.01 3.86 2zvyA1 GLY 234 HA3 0.01 0.14 0.57 -0.51 4.01 4.21 2zvyA1 LYS 235 H 0.01 0.34 -0.32 -0.55 8.42 7.89 2zvyA1 LYS 235 HA 0.01 0.14 0.39 -0.75 4.32 4.10 2zvyA1 LYS 235 HB2 0.01 0.02 0.02 -0.04 1.87 1.88 2zvyA1 LYS 235 HB3 0.01 -0.04 -0.04 -0.04 1.79 1.68 2zvyA1 LYS 235 HG2 0.01 -0.02 -0.21 -0.04 1.46 1.20 2zvyA1 LYS 235 HG3 0.01 -0.13 -0.02 -0.04 1.46 1.27 2zvyA1 LYS 235 HD2 0.01 0.06 -0.06 -0.04 1.69 1.66 2zvyA1 LYS 235 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.59 2zvyA1 LYS 235 HE2 0.01 -0.16 -0.16 -0.04 2.99 2.64 2zvyA1 LYS 235 HE3 0.01 -0.14 -0.06 -0.04 2.99 2.76 2zvyA1 VAL 236 H 0.01 0.01 -0.10 -0.55 8.24 7.61 2zvyA1 VAL 236 HA 0.01 0.10 0.63 -0.75 4.13 4.11 2zvyA1 VAL 236 HB 0.01 -0.03 0.03 -0.04 2.12 2.08 2zvyA1 VAL 236 HG13 0.00 0.00 -0.17 -0.04 0.97 0.77 2zvyA1 VAL 236 HG23 0.01 0.00 -0.04 -0.04 0.95 0.88 2zvyA1 LEU 237 H 0.01 0.66 0.47 -0.55 8.37 8.97 2zvyA1 LEU 237 HA 0.00 0.20 0.92 -0.75 4.35 4.72 2zvyA1 LEU 237 HB2 0.02 0.05 -0.01 -0.04 1.64 1.65 2zvyA1 LEU 237 HB3 0.01 0.03 0.04 -0.04 1.64 1.68 2zvyA1 LEU 237 HG 0.02 -0.04 -0.15 -0.04 1.64 1.43 2zvyA1 LEU 237 HD13 0.02 0.00 0.07 -0.04 0.93 0.98 2zvyA1 LEU 237 HD23 0.04 -0.01 -0.03 -0.04 0.89 0.85 2zvyA1 ARG 238 H 0.00 0.22 0.33 -0.55 8.46 8.47 2zvyA1 ARG 238 HA -0.02 0.12 0.68 -0.75 4.34 4.36 2zvyA1 ARG 238 HB2 -0.00 0.17 -0.26 -0.04 1.90 1.76 2zvyA1 ARG 238 HB3 0.01 -0.09 -0.04 -0.04 1.80 1.64 2zvyA1 ARG 238 HG2 0.01 -0.03 -0.34 -0.04 1.67 1.26 2zvyA1 ARG 238 HG3 -0.00 0.05 0.04 -0.04 1.67 1.72 2zvyA1 ARG 238 HD2 0.04 -0.00 -0.08 -0.04 3.22 3.13 2zvyA1 ARG 238 HD3 0.06 0.04 -0.07 -0.04 3.22 3.20 2zvyA1 VAL 239 H -0.01 0.29 0.23 -0.55 8.24 8.20 2zvyA1 VAL 239 HA 0.00 0.24 1.02 -0.75 4.13 4.63 2zvyA1 VAL 239 HB -0.00 -0.01 0.03 -0.04 2.12 2.10 2zvyA1 VAL 239 HG13 0.00 -0.00 -0.14 -0.04 0.97 0.78 2zvyA1 VAL 239 HG23 -0.01 -0.01 0.02 -0.04 0.95 0.91 2zvyA1 VAL 240 H -0.01 0.68 0.45 -0.55 8.24 8.81 2zvyA1 VAL 240 HA 0.02 0.18 1.06 -0.75 4.13 4.63 2zvyA1 VAL 240 HB -0.02 -0.06 0.05 -0.04 2.12 2.06 2zvyA1 VAL 240 HG13 0.03 -0.00 -0.17 -0.04 0.97 0.79 2zvyA1 VAL 240 HG23 0.01 0.02 -0.29 -0.04 0.95 0.65 2zvyA1 GLY 241 H 0.07 0.27 0.19 -0.55 8.43 8.42 2zvyA1 GLY 241 HA2 -0.03 0.12 0.89 -0.51 4.01 4.48 2zvyA1 GLY 241 HA3 0.10 0.04 0.40 -0.51 4.01 4.05 2zvyA1 MET 242 H -0.17 0.67 0.33 -0.55 8.47 8.74 2zvyA1 MET 242 HA 0.10 0.20 0.92 -0.75 4.52 5.00 2zvyA1 MET 242 HB2 -0.40 0.20 0.09 -0.04 2.15 2.00 2zvyA1 MET 242 HB3 -0.02 -0.10 0.09 -0.04 2.03 1.96 2zvyA1 MET 242 HG2 -0.19 -0.04 -0.23 -0.04 2.63 2.13 2zvyA1 MET 242 HG3 -0.12 0.02 -0.11 -0.04 2.56 2.31 2zvyA1 MET 242 HE3 0.11 -0.01 -0.03 -0.04 2.10 2.13 2zvyA1 ALA 243 H -0.31 0.04 0.06 -0.55 8.40 7.65 2zvyA1 ALA 243 HA -0.47 0.18 0.25 -0.75 4.34 3.55 2zvyA1 ALA 243 HB3 -1.76 0.01 -0.02 -0.04 1.41 -0.39 2zvyA1 ALA 244 H -0.45 0.04 0.23 -0.55 8.40 7.68 2zvyA1 ALA 244 HA -0.03 0.20 0.84 -0.75 4.34 4.59 2zvyA1 ALA 244 HB3 0.07 0.03 0.20 -0.04 1.41 1.66 2zvyA1 THR 245 H -0.20 0.53 -0.06 -0.55 8.28 8.00 2zvyA1 THR 245 HA 0.07 0.06 0.46 -0.75 4.39 4.22 2zvyA1 THR 245 HB 0.09 -0.00 0.12 -0.04 4.32 4.48 2zvyA1 THR 245 HG23 -0.03 -0.02 0.07 -0.04 1.22 1.20 2zvyA1 MET 246 H 0.08 0.09 -0.40 -0.55 8.47 7.69 2zvyA1 MET 246 HA 0.03 0.26 0.86 -0.75 4.52 4.92 2zvyA1 MET 246 HB2 0.07 -0.01 0.01 -0.04 2.15 2.18 2zvyA1 MET 246 HB3 -0.02 0.03 0.08 -0.04 2.03 2.07 2zvyA1 MET 246 HG2 0.10 -0.06 -0.46 -0.04 2.63 2.17 2zvyA1 MET 246 HG3 0.26 -0.02 -0.10 -0.04 2.56 2.65 2zvyA1 MET 246 HE3 0.07 0.01 -0.08 -0.04 2.10 2.07 2zvyA1 ARG 247 H 0.03 0.24 -0.32 -0.55 8.46 7.86 2zvyA1 ARG 247 HA -0.03 0.04 0.38 -0.75 4.34 3.97 2zvyA1 ARG 247 HB2 -0.04 -0.01 0.10 -0.04 1.90 1.91 2zvyA1 ARG 247 HB3 0.01 0.04 0.12 -0.04 1.80 1.92 2zvyA1 ARG 247 HG2 -0.11 -0.03 -0.02 -0.04 1.67 1.47 2zvyA1 ARG 247 HG3 -0.01 0.02 -0.03 -0.04 1.67 1.61 2zvyA1 ARG 247 HD2 -0.04 0.03 -0.94 -0.04 3.22 2.23 2zvyA1 ARG 247 HD3 -0.07 0.13 -0.43 -0.04 3.22 2.80 2zvyA1 LEU 248 H -0.04 0.07 0.09 -0.55 8.37 7.94 2zvyA1 LEU 248 HA -0.04 0.21 0.76 -0.75 4.35 4.53 2zvyA1 LEU 248 HB2 -0.04 -0.04 -0.10 -0.04 1.64 1.43 2zvyA1 LEU 248 HB3 -0.04 -0.02 0.06 -0.04 1.64 1.60 2zvyA1 LEU 248 HG -0.09 0.08 -0.14 -0.04 1.64 1.45 2zvyA1 LEU 248 HD13 -0.06 0.01 -0.07 -0.04 0.93 0.77 2zvyA1 LEU 248 HD23 -0.06 0.01 -0.10 -0.04 0.89 0.70 2zvyA1 SER 249 H -0.04 0.11 -0.01 -0.55 8.46 7.97 2zvyA1 SER 249 HA -0.04 0.13 0.62 -0.75 4.49 4.44 2zvyA1 SER 249 HB2 -0.03 0.11 -0.23 -0.04 3.95 3.77 2zvyA1 SER 249 HB3 -0.03 -0.12 -0.12 -0.04 3.93 3.61 2zvyA1 ASP 250 H -0.04 0.12 0.06 -0.55 8.40 7.99 2zvyA1 ASP 250 HA -0.10 0.08 0.56 -0.75 4.63 4.42 2zvyA1 ASP 250 HB2 -0.04 0.01 0.05 -0.04 2.71 2.68 2zvyA1 ASP 250 HB3 -0.06 0.01 0.10 -0.04 2.70 2.71 2zvyA1 ARG 251 H -0.07 0.08 0.13 -0.55 8.46 8.05 2zvyA1 ARG 251 HA -0.03 0.03 0.37 -0.75 4.34 3.96 2zvyA1 ARG 251 HB2 -0.03 -0.01 0.12 -0.04 1.90 1.93 2zvyA1 ARG 251 HB3 -0.02 0.02 0.04 -0.04 1.80 1.81 2zvyA1 ARG 251 HG2 -0.03 0.04 0.05 -0.04 1.67 1.69 2zvyA1 ARG 251 HG3 -0.06 -0.03 0.11 -0.04 1.67 1.65 2zvyA1 ARG 251 HD2 -0.00 -0.02 0.03 -0.04 3.22 3.19 2zvyA1 ARG 251 HD3 0.00 0.03 0.01 -0.04 3.22 3.22 2zvyA1 GLY 252 H -0.02 0.23 0.24 -0.55 8.43 8.34 2zvyA1 GLY 252 HA2 -0.01 0.07 0.29 -0.51 4.01 3.85 2zvyA1 GLY 252 HA3 -0.02 0.16 0.55 -0.51 4.01 4.20 2zvyA1 PRO 253 HA -0.01 0.09 0.46 -0.51 4.44 4.47 2zvyA1 PRO 253 HB2 -0.01 0.05 0.04 -0.04 2.28 2.31 2zvyA1 PRO 253 HB3 -0.01 0.05 0.12 -0.04 2.02 2.15 2zvyA1 PRO 253 HG2 -0.01 0.08 0.09 -0.04 2.03 2.14 2zvyA1 PRO 253 HG3 -0.01 0.05 0.08 -0.04 2.03 2.12 2zvyA1 PRO 253 HD2 -0.01 0.14 0.19 -0.04 3.68 3.96 2zvyA1 PRO 253 HD3 -0.01 0.14 0.22 -0.04 3.65 3.96 2zvyA1 ASP 254 H -0.01 0.13 -0.37 -0.55 8.40 7.60 2zvyA1 ASP 254 HA -0.01 0.22 0.96 -0.75 4.63 5.05 2zvyA1 ASP 254 HB2 -0.02 0.04 -0.00 -0.04 2.71 2.69 2zvyA1 ASP 254 HB3 -0.01 0.04 0.15 -0.04 2.70 2.83 2zvyA1 ASP 255 H -0.01 0.43 -0.25 -0.55 8.40 8.02 2zvyA1 ASP 255 HA -0.02 0.16 0.45 -0.75 4.63 4.46 2zvyA1 ASP 255 HB2 -0.02 -0.01 0.00 -0.04 2.71 2.64 2zvyA1 ASP 255 HB3 -0.02 0.17 -0.01 -0.04 2.70 2.79 2zvyA1 ALA 256 H 0.00 0.15 -0.48 -0.55 8.40 7.52 2zvyA1 ALA 256 HA 0.01 0.04 0.24 -0.75 4.34 3.88 2zvyA1 ALA 256 HB3 0.03 0.03 -0.31 -0.04 1.41 1.11 2zvyA1 ILE 257 H -0.00 0.19 -0.47 -0.55 8.25 7.42 2zvyA1 ILE 257 HA 0.01 0.18 0.30 -0.75 4.18 3.92 2zvyA1 ILE 257 HB -0.02 0.01 0.01 -0.04 1.89 1.85 2zvyA1 ILE 257 HG12 -0.01 0.12 -0.01 -0.04 1.49 1.54 2zvyA1 ILE 257 HG13 -0.02 -0.11 -0.31 -0.04 1.21 0.73 2zvyA1 ILE 257 HG23 -0.01 0.01 -0.01 -0.04 0.93 0.89 2zvyA1 ILE 257 HD13 -0.02 0.01 -0.16 -0.04 0.88 0.66 2zvyA1 ASN 258 H -0.00 0.55 -0.53 -0.55 8.53 8.00 2zvyA1 ASN 258 HA -0.02 0.03 0.46 -0.75 4.76 4.48 2zvyA1 ASN 258 HB2 -0.01 0.13 0.01 -0.04 2.88 2.97 2zvyA1 ASN 258 HB3 -0.01 -0.09 0.00 -0.04 2.79 2.65 2zvyA1 ASN 258 HD21 -0.04 0.59 0.04 -0.04 7.03 7.58 2zvyA1 ASN 258 HD22 -0.03 -0.06 -0.02 -0.04 7.74 7.59 2zvyA1 ARG 259 H 0.02 0.52 -0.31 -0.55 8.46 8.14 2zvyA1 ARG 259 HA 0.04 0.29 0.93 -0.75 4.34 4.84 2zvyA1 ARG 259 HB2 0.04 0.11 0.23 -0.04 1.90 2.24 2zvyA1 ARG 259 HB3 0.06 -0.03 0.12 -0.04 1.80 1.90 2zvyA1 ARG 259 HG2 -0.02 -0.10 0.09 -0.04 1.67 1.60 2zvyA1 ARG 259 HG3 -0.01 -0.06 -0.21 -0.04 1.67 1.35 2zvyA1 ARG 259 HD2 -0.03 -0.08 -0.08 -0.04 3.22 2.98 2zvyA1 ARG 259 HD3 0.00 0.07 -0.02 -0.04 3.22 3.23 2zvyA1 ARG 260 H 0.10 0.49 0.30 -0.55 8.46 8.81 2zvyA1 ARG 260 HA 0.10 0.19 0.79 -0.75 4.34 4.67 2zvyA1 ARG 260 HB2 0.07 0.01 -0.09 -0.04 1.90 1.85 2zvyA1 ARG 260 HB3 0.05 0.07 -0.15 -0.04 1.80 1.73 2zvyA1 ARG 260 HG2 0.04 -0.03 -0.25 -0.04 1.67 1.38 2zvyA1 ARG 260 HG3 0.11 -0.08 -0.23 -0.04 1.67 1.43 2zvyA1 ARG 260 HD2 -0.03 -0.04 -0.15 -0.04 3.22 2.96 2zvyA1 ARG 260 HD3 -0.05 0.26 -0.08 -0.04 3.22 3.31 2zvyA1 ILE 261 H 0.11 0.65 0.38 -0.55 8.25 8.84 2zvyA1 ILE 261 HA 0.10 0.20 1.11 -0.75 4.18 4.84 2zvyA1 ILE 261 HB 0.10 -0.00 0.19 -0.04 1.89 2.14 2zvyA1 ILE 261 HG12 0.23 -0.02 -0.09 -0.04 1.49 1.57 2zvyA1 ILE 261 HG13 0.30 0.01 -0.05 -0.04 1.21 1.43 2zvyA1 ILE 261 HG23 0.08 -0.00 -0.10 -0.04 0.93 0.87 2zvyA1 ILE 261 HD13 0.08 0.02 -0.14 -0.04 0.88 0.80 2zvyA1 SER 262 H 0.09 0.70 0.38 -0.55 8.46 9.09 2zvyA1 SER 262 HA 0.07 0.30 1.14 -0.75 4.49 5.24 2zvyA1 SER 262 HB2 0.15 0.01 -0.09 -0.04 3.95 3.98 2zvyA1 SER 262 HB3 0.14 -0.06 0.12 -0.04 3.93 4.09 2zvyA1 LEU 263 H 0.05 0.93 0.40 -0.55 8.37 9.20 2zvyA1 LEU 263 HA 0.03 0.23 1.05 -0.75 4.35 4.92 2zvyA1 LEU 263 HB2 0.04 -0.02 0.02 -0.04 1.64 1.63 2zvyA1 LEU 263 HB3 0.03 -0.02 0.24 -0.04 1.64 1.85 2zvyA1 LEU 263 HG 0.02 0.01 -0.04 -0.04 1.64 1.60 2zvyA1 LEU 263 HD13 0.02 -0.00 -0.07 -0.04 0.93 0.84 2zvyA1 LEU 263 HD23 0.02 0.00 -0.30 -0.04 0.89 0.58 2zvyA1 LEU 264 H 0.03 0.67 0.29 -0.55 8.37 8.81 2zvyA1 LEU 264 HA 0.02 0.27 1.00 -0.75 4.35 4.89 2zvyA1 LEU 264 HB2 0.03 -0.03 -0.13 -0.04 1.64 1.47 2zvyA1 LEU 264 HB3 0.03 -0.03 0.11 -0.04 1.64 1.70 2zvyA1 LEU 264 HG 0.02 0.02 -0.49 -0.04 1.64 1.14 2zvyA1 LEU 264 HD13 0.02 0.01 -0.41 -0.04 0.93 0.52 2zvyA1 LEU 264 HD23 0.02 -0.02 -0.16 -0.04 0.89 0.69 2zvyA1 VAL 265 H 0.02 0.77 0.29 -0.55 8.24 8.77 2zvyA1 VAL 265 HA 0.02 0.19 0.69 -0.75 4.13 4.26 2zvyA1 VAL 265 HB 0.01 -0.15 0.25 -0.04 2.12 2.19 2zvyA1 VAL 265 HG13 0.01 0.04 -0.10 -0.04 0.97 0.87 2zvyA1 VAL 265 HG23 0.02 0.03 -0.04 -0.04 0.95 0.91 2zvyA1 LEU 266 H 0.02 0.57 0.30 -0.55 8.37 8.71 2zvyA1 LEU 266 HA 0.02 0.14 0.57 -0.75 4.35 4.33 2zvyA1 LEU 266 HB2 0.02 0.03 0.08 -0.04 1.64 1.73 2zvyA1 LEU 266 HB3 0.02 -0.09 -0.06 -0.04 1.64 1.48 2zvyA1 LEU 266 HG 0.02 0.13 -0.01 -0.04 1.64 1.75 2zvyA1 LEU 266 HD13 0.02 -0.01 -0.24 -0.04 0.93 0.66 2zvyA1 LEU 266 HD23 0.02 -0.02 -0.16 -0.04 0.89 0.69 2zvyA1 ASN 267 H 0.01 0.56 0.36 -0.55 8.53 8.92 2zvyA1 ASN 267 HA 0.01 0.17 0.64 -0.75 4.76 4.83 2zvyA1 ASN 267 HB2 0.01 -0.09 0.15 -0.04 2.88 2.92 2zvyA1 ASN 267 HB3 0.01 0.09 0.06 -0.04 2.79 2.90 2zvyA1 ASN 267 HD21 0.01 0.34 0.11 -0.04 7.03 7.44 2zvyA1 ASN 267 HD22 0.01 0.02 -0.16 -0.04 7.74 7.57 2zvyA1 LYS 268 H 0.01 0.19 0.17 -0.55 8.42 8.23 2zvyA1 LYS 268 HA 0.01 0.13 0.36 -0.75 4.32 4.06 2zvyA1 LYS 268 HB2 0.01 0.08 0.15 -0.04 1.87 2.07 2zvyA1 LYS 268 HB3 0.01 -0.05 0.14 -0.04 1.79 1.85 2zvyA1 LYS 268 HG2 0.01 0.02 -0.04 -0.04 1.46 1.40 2zvyA1 LYS 268 HG3 0.01 -0.03 -0.28 -0.04 1.46 1.11 2zvyA1 LYS 268 HD2 0.01 0.04 0.02 -0.04 1.69 1.71 2zvyA1 LYS 268 HD3 0.01 0.02 -0.01 -0.04 1.68 1.65 2zvyA1 LYS 268 HE2 0.01 -0.01 0.06 -0.04 2.99 3.01 2zvyA1 LYS 268 HE3 0.01 0.07 0.00 -0.04 2.99 3.04 2zvyA1 GLN 269 H 0.01 0.12 -0.12 -0.55 8.47 7.94 2zvyA1 GLN 269 HA 0.01 0.08 0.41 -0.75 4.36 4.11 2zvyA1 GLN 269 HB2 0.01 0.01 0.06 -0.04 2.15 2.19 2zvyA1 GLN 269 HB3 0.00 0.04 -0.03 -0.04 2.02 2.00 2zvyA1 GLN 269 HG2 0.00 0.05 0.01 -0.04 2.40 2.43 2zvyA1 GLN 269 HG3 -0.00 0.03 0.02 -0.04 2.39 2.39 2zvyA1 GLN 269 HE21 0.00 0.02 -0.02 -0.04 6.97 6.93 2zvyA1 GLN 269 HE22 0.00 0.04 -0.03 -0.04 7.69 7.66 2zvyA1 ALA 270 H 0.01 0.14 -0.22 -0.55 8.40 7.79 2zvyA1 ALA 270 HA 0.01 0.03 0.40 -0.75 4.34 4.03 2zvyA1 ALA 270 HB3 0.01 0.02 0.14 -0.04 1.41 1.54 2zvyA1 GLU 271 H 0.02 0.54 -0.20 -0.55 8.60 8.42 2zvyA1 GLU 271 HA 0.04 0.05 0.42 -0.75 4.29 4.04 2zvyA1 GLU 271 HB2 0.02 0.04 -0.00 -0.04 2.09 2.11 2zvyA1 GLU 271 HB3 0.02 0.09 0.10 -0.04 1.99 2.15 2zvyA1 GLU 271 HG2 0.04 -0.03 -0.26 -0.04 2.34 2.05 2zvyA1 GLU 271 HG3 0.04 0.00 0.01 -0.04 2.34 2.34 2zvyA1 GLN 272 H 0.03 0.61 -0.08 -0.55 8.47 8.49 2zvyA1 GLN 272 HA 0.05 0.03 0.44 -0.75 4.36 4.13 2zvyA1 GLN 272 HB2 0.01 0.06 0.18 -0.04 2.15 2.36 2zvyA1 GLN 272 HB3 0.02 -0.05 0.01 -0.04 2.02 1.96 2zvyA1 GLN 272 HG2 0.02 0.19 0.07 -0.04 2.40 2.64 2zvyA1 GLN 272 HG3 0.01 -0.07 -0.02 -0.04 2.39 2.27 2zvyA1 GLN 272 HE21 0.03 0.02 0.00 -0.04 6.97 6.98 2zvyA1 GLN 272 HE22 0.03 -0.02 0.04 -0.04 7.69 7.70 2zvyA1 ALA 273 H 0.03 0.59 -0.19 -0.55 8.40 8.28 2zvyA1 ALA 273 HA 0.07 -0.01 0.41 -0.75 4.34 4.06 2zvyA1 ALA 273 HB3 0.03 0.03 0.08 -0.04 1.41 1.50 2zvyA1 ILE 274 H 0.06 0.43 -0.26 -0.55 8.25 7.93 2zvyA1 ILE 274 HA 0.07 0.02 0.47 -0.75 4.18 3.98 2zvyA1 ILE 274 HB 0.08 0.15 0.17 -0.04 1.89 2.24 2zvyA1 ILE 274 HG12 0.02 -0.06 -0.01 -0.04 1.49 1.40 2zvyA1 ILE 274 HG13 0.03 0.15 0.07 -0.04 1.21 1.41 2zvyA1 ILE 274 HG23 0.16 -0.01 -0.14 -0.04 0.93 0.90 2zvyA1 ILE 274 HD13 0.03 -0.03 -0.09 -0.04 0.88 0.75 2zvyA1 LEU 275 H 0.11 0.55 -0.04 -0.55 8.37 8.44 2zvyA1 LEU 275 HA 0.21 0.05 0.37 -0.75 4.35 4.23 2zvyA1 LEU 275 HB2 0.12 0.05 0.16 -0.04 1.64 1.93 2zvyA1 LEU 275 HB3 0.19 -0.03 -0.00 -0.04 1.64 1.75 2zvyA1 LEU 275 HG 0.09 0.19 0.07 -0.04 1.64 1.94 2zvyA1 LEU 275 HD13 0.05 -0.03 -0.04 -0.04 0.93 0.87 2zvyA1 LEU 275 HD23 0.13 -0.00 0.00 -0.04 0.89 0.98 2zvyA1 HIS 276 H 0.18 0.62 -0.18 -0.55 8.41 8.49 2zvyA1 HIS 276 HA 0.05 -0.01 0.43 -0.75 4.63 4.35 2zvyA1 HIS 276 HB2 0.02 0.01 0.11 -0.04 3.26 3.36 2zvyA1 HIS 276 HB3 -0.01 0.11 0.16 -0.04 3.20 3.42 2zvyA1 HIS 276 HD2 0.06 0.00 0.03 -0.04 6.97 7.02 2zvyA1 HIS 276 HE1 0.15 -0.02 -0.03 -0.04 7.75 7.81 2zvyA1 HIS 277 H 0.05 0.50 -0.21 -0.55 8.41 8.20 2zvyA1 HIS 277 HA -0.72 -0.04 0.39 -0.75 4.63 3.51 2zvyA1 HIS 277 HB2 -0.17 0.08 0.20 -0.04 3.26 3.33 2zvyA1 HIS 277 HB3 -0.34 0.17 0.18 -0.04 3.20 3.17 2zvyA1 HIS 277 HD2 -0.11 -0.03 0.04 -0.04 6.97 6.82 2zvyA1 HIS 277 HE1 -0.13 -0.04 -0.01 -0.04 7.75 7.52 2zvyA1 HIS 278 H -0.04 0.38 -0.32 -0.55 8.41 7.89 2zvyA1 HIS 278 HA -0.17 0.13 0.80 -0.75 4.63 4.63 2zvyA1 HIS 278 HB2 -0.14 0.07 0.08 -0.04 3.26 3.22 2zvyA1 HIS 278 HB3 -0.18 -0.06 0.17 -0.04 3.20 3.08 2zvyA1 HIS 278 HD2 -0.03 -0.01 0.02 -0.04 6.97 6.91 2zvyA1 HIS 278 HE1 0.05 -0.07 -0.01 -0.04 7.75 7.67 2zvyA1 HIS 279 H -0.10 0.19 -0.28 -0.55 8.41 7.68 2zvyA1 HIS 279 HA 0.04 0.17 1.00 -0.75 4.63 5.09 2zvyA1 HIS 279 HB2 0.02 0.13 0.09 -0.04 3.26 3.46 2zvyA1 HIS 279 HB3 0.04 -0.12 -0.06 -0.04 3.20 3.02 2zvyA1 HIS 279 HD2 0.06 0.01 -0.00 -0.04 6.97 6.99 2zvyA1 HIS 279 HE1 0.02 -0.06 0.00 -0.04 7.75 7.67 2zvyA1 HIS 280 H -0.19 0.63 0.23 -0.55 8.41 8.54 2zvyA1 HIS 280 HA -0.03 -0.12 0.41 -0.75 4.63 4.14 2zvyA1 HIS 280 HB2 -0.18 -0.12 0.04 -0.04 3.26 2.97 2zvyA1 HIS 280 HB3 -1.08 -0.04 0.15 -0.04 3.20 2.18 2zvyA1 HIS 280 HD2 -0.17 -0.10 -0.04 -0.04 6.97 6.62 2zvyA1 HIS 280 HE1 -0.34 0.02 0.08 -0.04 7.75 7.47 2zvyA1 HIS 281 H 0.10 -0.03 0.11 -0.55 8.41 8.04 2zvyA1 HIS 281 HA -0.04 -0.02 0.22 -0.75 4.63 4.03 2zvyA1 HIS 281 HB2 -0.22 -0.09 -0.21 -0.04 3.26 2.70 2zvyA1 HIS 281 HB3 -0.28 0.35 -0.03 -0.04 3.20 3.20 2zvyA1 HIS 281 HD2 -0.17 -0.01 -0.03 -0.04 6.97 6.72 2zvyA1 HIS 281 HE1 -0.04 -0.03 0.01 -0.04 7.75 7.65