#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jye n MET 2 N 0.00 -2.51 -3.71 0.00 0.00 -1.26 -4.61 117.12 105.03 2jye n MET 2 Ca 0.00 2.14 -0.35 0.00 -0.00 0.00 0.00 57.70 59.49 2jye n MET 2 Cb 0.00 -4.68 -0.05 0.00 0.00 0.00 0.00 33.22 28.48 2jye n MET 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2jye s ASP 3 N -1.99 6.53 -0.25 6.12 -4.77 -1.26 -4.32 116.67 116.74 2jye s ASP 3 Ca 0.16 0.62 -0.25 0.00 -3.30 0.00 0.00 52.55 49.78 2jye s ASP 3 Cb -0.04 -2.11 -0.00 0.00 -1.09 0.00 0.00 42.92 39.68 2jye s ASP 3 CO 0.72 0.24 0.86 -0.69 0.70 0.00 0.00 175.17 177.00 2jye s VAL 4 N -1.31 4.80 -0.16 2.11 1.01 0.36 -4.92 120.40 122.29 2jye s VAL 4 Ca 0.28 1.61 -0.04 0.00 0.00 0.00 0.00 61.98 63.83 2jye s VAL 4 Cb -0.13 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2jye s VAL 4 CO 0.16 -0.11 -0.02 -0.54 0.00 0.00 0.00 175.10 174.59 2jye s LYS 5 N 2.93 3.72 -0.07 2.72 1.02 -1.26 -2.12 119.74 126.67 2jye s LYS 5 Ca 0.36 -0.49 -0.02 0.00 0.02 0.00 0.00 55.97 55.85 2jye s LYS 5 Cb -0.15 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2jye s LYS 5 CO 0.08 0.26 -0.08 0.00 -0.92 0.00 0.00 175.35 174.69 2jye s ASP 7 N -5.14 2.16 -0.23 0.00 2.15 -1.26 -5.03 116.67 109.33 2jye s ASP 7 Ca -0.10 -1.74 -0.00 0.00 0.43 0.00 0.00 52.55 51.14 2jye s ASP 7 Cb 0.03 0.56 0.18 0.00 -0.30 0.00 0.00 42.92 43.39 2jye s ASP 7 CO 0.14 -1.02 1.89 1.15 -0.17 0.00 0.00 175.17 177.16 2jye n MET 8 N -0.75 1.58 0.00 4.34 0.00 -1.26 -3.73 117.12 117.30 2jye n MET 8 Ca 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 57.70 56.55 2jye n MET 8 Cb 0.63 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.40 2jye n MET 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2jye n GLU 9 N 0.50 0.00 -3.20 3.17 2.13 -1.26 -5.11 120.64 116.87 2jye n GLU 9 Ca 0.22 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.66 2jye n GLU 9 Cb 0.62 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.28 2jye n GLU 9 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jye s VAL 10 N -0.98 5.13 -0.36 6.31 1.01 -1.24 -5.04 120.40 125.23 2jye s VAL 10 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2jye s VAL 10 Cb 0.00 -3.91 0.12 0.00 0.00 0.00 0.00 36.38 32.59 2jye s VAL 10 CO 0.00 0.29 0.15 -0.94 0.00 0.00 0.00 175.10 174.60 2jye s SER 11 N 0.72 3.82 -0.60 3.32 1.04 -1.26 -4.01 113.70 116.73 2jye s SER 11 Ca 0.31 -2.02 -0.15 0.00 0.48 0.00 0.00 55.95 54.56 2jye s SER 11 Cb -0.16 -0.89 0.15 0.00 0.10 0.00 0.00 66.02 65.22 2jye s SER 11 CO 0.13 -0.36 0.55 0.00 0.98 0.00 0.00 173.24 174.55 2jye n PRO 13 N 4.90 1.81 -1.63 0.00 -0.04 -1.26 -0.48 135.00 138.30 2jye n PRO 13 Ca -0.07 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.88 2jye n PRO 13 Cb 0.42 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.82 2jye n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jye n ASP 14 N 0.00 2.18 0.00 3.54 -0.08 -1.26 -0.58 116.55 120.35 2jye n ASP 14 Ca 0.00 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 2jye n ASP 14 Cb 0.00 -1.25 0.00 0.00 2.34 0.00 0.00 41.12 42.21 2jye n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jye n GLY 15 N 3.03 0.62 3.40 0.27 0.00 -1.26 -5.03 105.19 106.22 2jye n GLY 15 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2jye n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jye s TYR 16 N -2.37 2.14 -0.02 1.61 1.51 0.25 -2.17 117.35 118.30 2jye s TYR 16 Ca 0.00 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 2jye s TYR 16 Cb 0.00 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 2jye s TYR 16 CO 0.00 0.49 -0.16 0.99 -1.11 0.00 0.00 175.55 175.75 2jye s THR 17 N -1.96 1.32 -0.33 -0.71 2.01 0.15 -4.71 115.64 111.41 2jye s THR 17 Ca 0.21 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 2jye s THR 17 Cb -0.07 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.33 2jye s THR 17 CO 0.10 0.38 0.18 0.00 -0.69 0.00 0.00 174.62 174.58 2jye n ARG 20 N 2.98 0.99 0.00 0.00 5.12 -1.26 -0.25 116.66 124.24 2jye n ARG 20 Ca -0.14 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2jye n ARG 20 Cb 0.57 -2.04 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 2jye n ARG 20 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jye n LEU 21 N -0.07 0.00 -1.82 0.55 4.77 -0.36 -4.46 117.00 115.60 2jye n LEU 21 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 2jye n LEU 21 Cb 0.44 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.69 2jye n LEU 21 CO 0.52 0.00 1.00 0.00 -1.33 0.00 0.00 177.39 177.58 2jye n GLN 22 N -0.28 2.26 -0.97 3.23 10.64 -1.26 -4.78 117.38 126.21 2jye n GLN 22 Ca 0.00 -2.19 0.00 0.00 -1.83 0.00 0.00 57.00 52.98 2jye n GLN 22 Cb 0.00 -1.89 0.00 0.00 -0.86 0.00 0.00 30.24 27.49 2jye n GLN 22 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2jye n SER 23 N -0.48 -4.90 -0.00 2.61 2.88 -1.26 -4.75 113.62 107.72 2jye n SER 23 Ca 0.39 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.99 2jye n SER 23 Cb 1.27 -2.76 -0.09 0.00 -0.75 0.00 0.00 64.21 61.89 2jye n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jye n GLY 24 N -0.07 -0.38 3.87 0.46 0.00 -1.26 -5.06 105.19 102.75 2jye n GLY 24 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 2jye n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jye s ALA 25 N -2.53 -1.71 0.23 4.61 0.00 -1.26 -5.07 121.76 116.04 2jye s ALA 25 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.78 2jye s ALA 25 Cb 0.09 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 2jye s ALA 25 CO 0.53 -1.07 0.31 -1.58 0.00 0.00 0.00 175.76 173.95 2jye s TRP 26 N -2.25 3.37 0.09 0.00 0.52 -1.26 -1.23 118.94 118.18 2jye s TRP 26 Ca 0.22 -0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.34 2jye s TRP 26 Cb -0.02 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 2jye s TRP 26 CO 0.04 0.47 -0.09 0.20 0.02 0.00 0.00 176.95 177.59 2jye s GLY 27 N -3.84 0.78 -0.33 0.98 0.00 0.65 -4.79 107.32 100.77 2jye s GLY 27 Ca 0.34 -1.18 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 2jye s GLY 27 CO 0.28 -1.26 0.16 0.00 0.00 0.00 0.00 173.10 172.27 2jye n PRO 30 N 4.97 2.27 -1.43 0.00 -0.04 -1.26 0.32 135.00 139.83 2jye n PRO 30 Ca -0.15 -2.02 -0.01 0.00 -0.04 0.00 0.00 63.50 61.27 2jye n PRO 30 Cb 0.51 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 2jye n PRO 30 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2jye n PHE 31 N 5.96 -1.05 -2.77 0.54 -1.74 -0.92 -4.92 117.46 112.56 2jye n PHE 31 Ca 0.53 -0.21 -0.42 0.00 -0.56 0.00 0.00 57.45 56.79 2jye n PHE 31 Cb 0.32 0.10 -0.03 0.00 1.52 0.00 0.00 39.48 41.40 2jye n PHE 31 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2jye s THR 32 N -2.80 4.90 -0.40 1.97 2.01 -1.26 -4.37 115.64 115.69 2jye s THR 32 Ca 0.02 1.95 -0.39 0.00 0.31 0.00 0.00 61.69 63.57 2jye s THR 32 Cb -0.01 -4.27 -0.15 0.00 0.01 0.00 0.00 72.50 68.09 2jye s THR 32 CO 0.01 0.18 2.10 1.67 -0.69 0.00 0.00 174.62 177.89 2jye n GLN 33 N 3.89 0.66 0.18 4.92 7.27 -1.26 -4.49 117.38 128.56 2jye n GLN 33 Ca 0.05 0.19 0.00 0.00 0.07 0.00 0.00 57.00 57.31 2jye n GLN 33 Cb 0.51 -2.04 0.00 0.00 2.41 0.00 0.00 30.24 31.12 2jye n GLN 33 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jye n ALA 34 N 8.31 0.30 -3.99 1.69 0.00 -1.26 -5.16 120.51 120.41 2jye n ALA 34 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 2jye n ALA 34 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 2jye n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jye n VAL 35 N -3.25 0.00 0.00 0.00 0.31 -1.26 -5.10 118.33 109.03 2jye n VAL 35 Ca 0.00 -1.76 0.00 0.00 -0.01 0.00 0.00 64.34 62.57 2jye n VAL 35 Cb 0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2jye n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jye n GLU 38 N 0.00 0.20 -3.78 0.00 -0.58 -1.26 -4.53 120.64 110.68 2jye n GLU 38 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2jye n GLU 38 Cb 0.00 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.71 2jye n GLU 38 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jye s ASP 39 N -1.00 3.24 0.00 1.62 1.01 -1.26 -4.83 116.67 115.45 2jye s ASP 39 Ca 0.00 -0.98 0.00 0.00 0.71 0.00 0.00 52.55 52.28 2jye s ASP 39 Cb 0.00 -0.76 0.00 0.00 1.01 0.00 0.00 42.92 43.17 2jye s ASP 39 CO 0.00 -0.30 0.00 0.00 0.21 0.00 0.00 175.17 175.08 2jye n HIS 40 N 4.94 0.00 0.00 4.23 1.44 -1.26 -5.01 115.22 119.56 2jye n HIS 40 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2jye n HIS 40 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 2jye n HIS 40 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 2jye n ILE 41 N -1.17 0.00 -3.71 0.61 0.00 -1.26 -5.16 119.36 108.66 2jye n ILE 41 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 62.75 62.73 2jye n ILE 41 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 39.64 39.69 2jye n ILE 41 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 2jye s HIS 42 N -0.75 -0.11 -1.18 9.51 2.46 -1.26 -5.01 115.29 118.95 2jye s HIS 42 Ca 0.00 -0.13 -0.08 0.00 0.47 0.00 0.00 55.06 55.32 2jye s HIS 42 Cb 0.00 0.61 0.24 0.00 -0.13 0.00 0.00 32.58 33.30 2jye s HIS 42 CO 0.00 -0.66 1.59 0.00 -2.47 0.00 0.00 174.74 173.21 2jye n PRO 45 N -1.53 2.98 0.00 0.00 -0.02 -1.26 -4.86 135.00 130.30 2jye n PRO 45 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2jye n PRO 45 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 2jye n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jye n ALA 46 N -3.00 0.00 -2.26 3.55 0.00 -1.26 -4.34 120.51 113.21 2jye n ALA 46 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2jye n ALA 46 Cb 0.00 0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.53 2jye n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jye n GLY 47 N -0.44 5.66 3.81 0.00 0.00 -1.26 -5.05 105.19 107.90 2jye n GLY 47 Ca 0.00 -2.49 -0.38 0.00 0.00 0.00 0.00 46.02 43.15 2jye n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jye s PHE 48 N -3.58 3.67 -0.17 1.61 0.40 -1.26 -2.83 117.98 115.82 2jye s PHE 48 Ca 0.47 0.95 -0.08 0.00 -0.60 0.00 0.00 56.93 57.67 2jye s PHE 48 Cb 0.40 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 2jye s PHE 48 CO -0.03 0.52 0.08 0.99 0.70 0.00 0.00 175.22 177.48 2jye s THR 49 N -0.64 5.00 -0.10 0.64 2.01 -0.38 -4.60 115.64 117.57 2jye s THR 49 Ca 0.24 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 62.03 2jye s THR 49 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2jye s THR 49 CO 0.12 0.49 0.78 0.00 -0.69 0.00 0.00 174.62 175.32 2jye s ASP 51 N 0.97 7.22 0.60 0.00 -4.77 0.10 -4.58 116.67 116.21 2jye s ASP 51 Ca 0.39 1.46 0.28 0.00 -3.30 0.00 0.00 52.55 51.38 2jye s ASP 51 Cb -0.18 -2.47 1.34 0.00 -1.09 0.00 0.00 42.92 40.52 2jye s ASP 51 CO 0.17 -0.00 1.74 0.00 0.70 0.00 0.00 175.17 177.78 2jye h THR 52 N 4.16 0.25 -0.89 2.11 1.03 -1.91 0.90 112.91 118.57 2jye h THR 52 Ca -0.44 0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.14 2jye h THR 52 Cb 1.21 0.46 -0.07 0.00 -1.07 0.00 0.00 68.15 68.67 2jye h THR 52 CO 0.71 0.00 0.58 -0.61 -0.01 0.00 0.00 175.52 176.19 2jye h GLN 53 N 0.00 0.52 0.00 0.00 4.15 -1.92 -3.37 115.11 114.49 2jye h GLN 53 Ca 0.28 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 2jye h GLN 53 Cb 1.62 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 29.14 2jye h GLN 53 CO -0.00 0.34 -0.09 1.17 -1.93 0.00 0.00 178.83 178.32 2jye n LYS 54 N -4.54 0.28 -3.80 1.69 0.00 -0.44 -4.99 118.16 106.36 2jye n LYS 54 Ca 0.18 -0.38 -0.24 0.00 0.00 0.00 0.00 58.31 57.87 2jye n LYS 54 Cb 0.58 0.28 0.02 0.00 0.00 0.00 0.00 35.03 35.92 2jye n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jye n GLY 55 N -0.32 -0.34 3.53 3.14 0.00 0.30 -4.82 105.19 106.68 2jye n GLY 55 Ca -0.07 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2jye n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jye s THR 56 N -3.59 4.14 -0.23 2.61 2.01 -0.98 -4.55 115.64 115.07 2jye s THR 56 Ca 0.20 0.34 -0.25 0.00 0.31 0.00 0.00 61.69 62.29 2jye s THR 56 Cb -0.10 -4.69 -0.00 0.00 0.01 0.00 0.00 72.50 67.71 2jye s THR 56 CO 0.83 -1.39 0.87 0.00 -0.69 0.00 0.00 174.62 174.23 2jye s GLU 58 N 2.76 0.92 -0.32 0.00 0.41 -0.78 -4.78 118.70 116.91 2jye s GLU 58 Ca 0.37 -1.43 -0.41 0.00 -0.41 0.00 0.00 54.97 53.09 2jye s GLU 58 Cb -0.15 0.11 -0.16 0.00 -1.78 0.00 0.00 34.13 32.14 2jye s GLU 58 CO 0.08 -0.20 1.74 1.04 -0.49 0.00 0.00 175.26 177.43 2jye n GLN 59 N -0.10 0.95 -0.78 1.61 6.02 -1.26 -1.25 117.38 122.57 2jye n GLN 59 Ca -0.07 0.35 0.11 0.00 -0.01 0.00 0.00 57.00 57.37 2jye n GLN 59 Cb 0.63 -2.00 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 2jye n GLN 59 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2jye n LYS 60 N 5.26 -1.56 -2.52 -1.09 4.01 -1.13 -4.82 118.16 116.32 2jye n LYS 60 Ca 0.28 1.03 -0.32 0.00 -0.51 0.00 0.00 58.31 58.79 2jye n LYS 60 Cb 0.10 -1.90 -0.04 0.00 -0.51 0.00 0.00 35.03 32.67 2jye n LYS 60 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 2jye s LEU 61 N 0.00 3.71 0.00 -0.35 0.05 -1.26 -3.07 118.68 117.76 2jye s LEU 61 Ca 0.00 1.58 0.00 0.00 0.05 0.00 0.00 54.13 55.76 2jye s LEU 61 Cb 0.00 -4.49 0.00 0.00 -2.05 0.00 0.00 46.19 39.65 2jye s LEU 61 CO 0.00 -0.53 0.81 0.00 -0.55 0.00 0.00 176.35 176.09 2jye n ALA 62 N -1.35 1.79 -2.45 1.48 0.00 -1.26 -4.99 120.51 113.73 2jye n ALA 62 Ca 0.06 -0.81 -0.18 0.00 0.00 0.00 0.00 53.44 52.51 2jye n ALA 62 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2jye n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jye n ALA 63 N -0.33 -0.69 -2.42 0.00 0.00 -1.26 -4.12 120.51 111.69 2jye n ALA 63 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 2jye n ALA 63 Cb 0.27 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 2jye n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jye n ALA 64 N -2.16 -2.88 -1.77 0.00 0.00 -1.26 -4.91 120.51 107.53 2jye n ALA 64 Ca -0.21 1.43 -0.39 0.00 0.00 0.00 0.00 53.44 54.27 2jye n ALA 64 Cb 0.66 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2jye n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jye s LEU 65 N -0.61 4.13 0.03 0.00 1.43 -1.26 -4.91 118.68 117.50 2jye s LEU 65 Ca -0.14 2.69 0.02 0.00 -1.03 0.00 0.00 54.13 55.67 2jye s LEU 65 Cb 0.01 -3.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 2jye s LEU 65 CO 0.38 -1.01 -0.08 -1.61 0.23 0.00 0.00 176.35 174.27 2jye s GLU 66 N -2.41 0.53 -0.10 1.70 2.02 -1.26 -4.26 118.70 114.92 2jye s GLU 66 Ca 0.60 -0.58 -0.07 0.00 0.02 0.00 0.00 54.97 54.93 2jye s GLU 66 Cb -0.38 -0.39 0.03 0.00 0.10 0.00 0.00 34.13 33.49 2jye s GLU 66 CO 0.49 0.09 0.15 0.72 0.02 0.00 0.00 175.26 176.72 2jye n HIS 67 N 1.96 -4.26 -2.77 1.61 8.25 -1.26 -4.96 115.22 113.78 2jye n HIS 67 Ca -0.19 2.50 -0.38 0.00 -0.26 0.00 0.00 57.72 59.39 2jye n HIS 67 Cb 0.56 -3.73 -0.06 0.00 1.12 0.00 0.00 29.99 27.88 2jye n HIS 67 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jye s HIS 68 N -0.59 3.77 0.24 4.41 2.46 -1.26 -5.04 115.29 119.28 2jye s HIS 68 Ca -0.17 1.82 -0.27 0.00 0.47 0.00 0.00 55.06 56.91 2jye s HIS 68 Cb 0.01 -2.94 -0.09 0.00 -0.13 0.00 0.00 32.58 29.44 2jye s HIS 68 CO 0.46 0.28 0.87 -1.58 -2.47 0.00 0.00 174.74 172.30 2jye s HIS 69 N -1.50 3.86 0.00 3.88 2.46 -1.26 -5.07 115.29 117.66 2jye s HIS 69 Ca 0.48 1.75 0.00 0.00 0.47 0.00 0.00 55.06 57.76 2jye s HIS 69 Cb -0.21 -2.87 0.00 0.00 -0.13 0.00 0.00 32.58 29.38 2jye s HIS 69 CO 0.26 0.40 0.00 0.72 -2.47 0.00 0.00 174.74 173.65 2jye n HIS 70 N 1.22 0.00 -4.56 3.88 8.25 -1.26 -5.14 115.22 117.61 2jye n HIS 70 Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.19 2jye n HIS 70 Cb 0.49 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.43 2jye n HIS 70 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jye s HIS 71 N 3.01 1.44 -2.93 4.41 3.76 -1.26 -5.35 115.29 118.36 2jye s HIS 71 Ca 0.00 -0.53 0.23 0.00 -0.15 0.00 0.00 55.06 54.61 2jye s HIS 71 Cb 0.00 -1.06 0.19 0.00 1.11 0.00 0.00 32.58 32.82 2jye s HIS 71 CO 0.00 -0.28 1.24 0.72 -0.85 0.00 0.00 174.74 175.57