#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jye s MET 2 N 0.00 3.19 0.33 0.00 -2.45 -1.26 -5.00 119.30 114.10 2jye s MET 2 Ca 0.00 -1.31 0.03 0.00 -1.25 0.00 0.00 55.69 53.16 2jye s MET 2 Cb 0.00 -4.37 -0.04 0.00 1.25 0.00 0.00 34.83 31.67 2jye s MET 2 CO 0.00 -1.65 0.14 0.16 1.05 0.00 0.00 175.02 174.71 2jye s ASP 3 N 3.57 1.92 -0.93 1.11 1.47 -1.26 -4.92 116.67 117.63 2jye s ASP 3 Ca 0.19 -1.55 -0.24 0.00 1.18 0.00 0.00 52.55 52.12 2jye s ASP 3 Cb -0.18 0.34 0.02 0.00 -0.34 0.00 0.00 42.92 42.75 2jye s ASP 3 CO 0.04 -0.85 1.60 -0.69 0.68 0.00 0.00 175.17 175.95 2jye s VAL 4 N -3.48 3.73 -0.16 2.11 1.01 -0.86 -4.96 120.40 117.79 2jye s VAL 4 Ca 0.33 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2jye s VAL 4 Cb 0.05 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2jye s VAL 4 CO 0.16 -1.58 0.36 -0.54 0.00 0.00 0.00 175.10 173.50 2jye s LYS 5 N 5.77 4.26 -0.19 2.72 1.02 -1.26 -2.27 119.74 129.79 2jye s LYS 5 Ca 0.53 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.73 2jye s LYS 5 Cb -0.04 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2jye s LYS 5 CO -0.03 0.15 -0.17 0.00 -0.92 0.00 0.00 175.35 174.39 2jye n ASP 7 N 4.64 -2.57 -2.26 0.00 2.03 -1.26 -3.65 116.55 113.48 2jye n ASP 7 Ca -0.20 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.85 2jye n ASP 7 Cb 0.50 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.92 2jye n ASP 7 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2jye n MET 8 N 0.00 3.49 -0.58 -0.67 2.81 -1.26 -4.60 117.12 116.31 2jye n MET 8 Ca 0.00 -4.28 -0.02 0.00 -1.81 0.00 0.00 57.70 51.59 2jye n MET 8 Cb 0.00 -2.27 -0.02 0.00 -0.71 0.00 0.00 33.22 30.23 2jye n MET 8 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2jye n GLU 9 N -0.61 0.00 -3.82 0.03 -0.58 -1.26 -5.14 120.64 109.27 2jye n GLU 9 Ca 0.43 -0.23 -0.09 0.00 -0.42 0.00 0.00 57.16 56.84 2jye n GLU 9 Cb 0.80 0.13 -0.07 0.00 -0.57 0.00 0.00 31.44 31.73 2jye n GLU 9 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jye s VAL 10 N 0.00 0.13 -0.38 2.62 0.11 -1.24 -4.86 120.40 116.78 2jye s VAL 10 Ca 0.00 -1.05 0.05 0.00 -2.93 0.00 0.00 61.98 58.05 2jye s VAL 10 Cb 0.00 -1.27 0.16 0.00 -1.53 0.00 0.00 36.38 33.75 2jye s VAL 10 CO 0.00 -0.58 0.46 -0.55 -3.33 0.00 0.00 175.10 171.10 2jye s SER 11 N -2.77 0.29 -0.66 3.54 0.15 -1.26 -4.26 113.70 108.73 2jye s SER 11 Ca 0.04 -1.27 -0.10 0.00 0.70 0.00 0.00 55.95 55.31 2jye s SER 11 Cb 0.04 1.02 0.17 0.00 -1.71 0.00 0.00 66.02 65.54 2jye s SER 11 CO -0.10 -0.24 0.56 0.00 1.20 0.00 0.00 173.24 174.65 2jye n PRO 13 N 4.16 0.59 -1.64 0.00 -0.04 -1.26 -2.02 135.00 134.78 2jye n PRO 13 Ca 0.05 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.03 2jye n PRO 13 Cb 0.42 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.84 2jye n PRO 13 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jye n ASP 14 N -1.04 2.60 0.00 3.54 9.92 -1.26 -0.97 116.55 129.34 2jye n ASP 14 Ca 0.00 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.36 2jye n ASP 14 Cb 0.00 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.13 2jye n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jye n GLY 15 N 3.05 0.84 3.59 0.44 0.00 -1.26 -5.05 105.19 106.80 2jye n GLY 15 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.95 2.65 0.08 1.61 1.51 -0.15 -3.85 117.35 116.24 2jye s TYR 16 Ca 0.00 -0.22 0.09 0.00 -1.01 0.00 0.00 57.07 55.93 2jye s TYR 16 Cb 0.00 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2jye s TYR 16 CO 0.00 0.54 -0.25 -0.08 -1.11 0.00 0.00 175.55 174.65 2jye s THR 17 N -1.84 2.02 -0.35 -0.71 -1.32 0.64 -4.79 115.64 109.29 2jye s THR 17 Ca 0.26 -1.48 -0.10 0.00 -1.21 0.00 0.00 61.69 59.17 2jye s THR 17 Cb -0.08 -1.76 0.02 0.00 -1.51 0.00 0.00 72.50 69.17 2jye s THR 17 CO 0.16 0.20 0.18 0.00 -2.21 0.00 0.00 174.62 172.95 2jye s ARG 20 N 0.05 2.30 0.00 0.00 1.81 -1.26 0.02 118.95 121.86 2jye s ARG 20 Ca -0.00 1.80 0.00 0.00 -1.72 0.00 0.00 55.73 55.81 2jye s ARG 20 Cb -0.03 -1.85 0.00 0.00 -0.45 0.00 0.00 34.95 32.62 2jye s ARG 20 CO -0.00 -1.72 0.00 1.28 -0.68 0.00 0.00 175.30 174.17 2jye n LEU 21 N -2.49 0.00 -1.91 2.53 4.77 -0.61 -4.76 117.00 114.53 2jye n LEU 21 Ca 0.14 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.93 2jye n LEU 21 Cb 0.50 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.70 2jye n LEU 21 CO 0.47 0.00 1.12 0.00 -1.33 0.00 0.00 177.39 177.65 2jye n GLN 22 N 0.00 1.95 -0.99 3.23 10.64 -1.26 -4.81 117.38 126.14 2jye n GLN 22 Ca 0.00 -2.15 0.00 0.00 -1.83 0.00 0.00 57.00 53.02 2jye n GLN 22 Cb 0.00 -1.84 0.00 0.00 -0.86 0.00 0.00 30.24 27.54 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 -0.54 -5.46 -0.00 2.61 2.88 -1.26 -4.74 113.62 107.11 2jye n SER 23 Ca 0.42 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.03 2jye n SER 23 Cb 1.15 -3.12 -0.09 0.00 -0.75 0.00 0.00 64.21 61.40 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 0.45 -0.47 3.91 0.46 0.00 -1.26 -5.06 105.19 103.21 2jye n GLY 24 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.64 -1.66 0.35 4.61 0.00 -1.26 -5.07 121.76 116.09 2jye s ALA 25 Ca -0.00 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 51.68 2jye s ALA 25 Cb 0.10 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 2jye s ALA 25 CO 0.57 -1.07 0.35 -1.58 0.00 0.00 0.00 175.76 174.03 2jye s TRP 26 N -2.08 2.90 0.01 0.00 0.52 -1.26 -1.57 118.94 117.47 2jye s TRP 26 Ca 0.23 -0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.03 2jye s TRP 26 Cb -0.03 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.36 2jye s TRP 26 CO 0.05 0.07 -0.02 0.20 0.02 0.00 0.00 176.95 177.27 2jye s GLY 27 N -4.07 0.14 -0.24 0.98 0.00 0.10 -4.77 107.32 99.46 2jye s GLY 27 Ca 0.43 -0.29 -0.08 0.00 0.00 0.00 0.00 44.72 44.79 2jye s GLY 27 CO 0.28 -0.32 0.09 0.00 0.00 0.00 0.00 173.10 173.15 2jye n PRO 30 N 4.00 2.22 -0.73 0.00 -0.04 -1.26 -0.26 135.00 138.94 2jye n PRO 30 Ca -0.20 -1.19 -0.29 0.00 -0.04 0.00 0.00 63.50 61.78 2jye n PRO 30 Cb 0.52 -2.14 0.24 0.00 -0.04 0.00 0.00 33.50 32.08 2jye n PRO 30 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2jye s PHE 31 N 1.41 1.17 -0.38 0.54 -0.71 -1.25 -4.94 117.98 113.81 2jye s PHE 31 Ca 0.63 0.95 0.11 0.00 -1.04 0.00 0.00 56.93 57.58 2jye s PHE 31 Cb 0.27 -3.14 0.33 0.00 -1.21 0.00 0.00 43.02 39.27 2jye s PHE 31 CO -0.01 -3.84 0.69 0.25 -1.34 0.00 0.00 175.22 170.96 2jye n THR 32 N -4.86 -0.22 -3.37 -4.49 -2.24 -1.26 -4.85 114.28 92.99 2jye n THR 32 Ca 0.05 -4.48 -0.17 0.00 -2.27 0.00 0.00 64.05 57.19 2jye n THR 32 Cb 0.56 -0.65 0.08 0.00 -2.10 0.00 0.00 70.33 68.23 2jye n THR 32 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2jye n GLN 33 N 0.52 -6.37 0.00 -0.78 7.27 -1.26 -4.91 117.38 111.85 2jye n GLN 33 Ca 0.24 0.80 0.00 0.00 0.07 0.00 0.00 57.00 58.11 2jye n GLN 33 Cb 0.63 -5.67 0.00 0.00 2.41 0.00 0.00 30.24 27.60 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 -4.04 1.96 -3.72 1.69 0.00 -1.26 -5.16 120.51 109.98 2jye n ALA 34 Ca -0.24 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 2jye n ALA 34 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.27 0.00 0.00 0.00 0.31 -1.26 -5.04 118.33 111.07 2jye n VAL 35 Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2jye n VAL 35 Cb 0.00 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 2jye n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jye s GLU 38 N 3.39 4.48 -0.25 0.00 2.12 -1.26 -4.39 118.70 122.80 2jye s GLU 38 Ca 0.48 1.05 -0.13 0.00 0.36 0.00 0.00 54.97 56.73 2jye s GLU 38 Cb -0.17 -3.30 -0.11 0.00 0.26 0.00 0.00 34.13 30.82 2jye s GLU 38 CO 0.10 0.46 -0.32 -3.47 -0.54 0.00 0.00 175.26 171.50 2jye n ASP 39 N 2.12 1.74 0.09 -1.70 2.03 -1.17 -4.85 116.55 114.82 2jye n ASP 39 Ca -0.05 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2jye n ASP 39 Cb 0.50 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 2jye n ASP 39 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2jye n HIS 40 N -4.12 -1.50 0.00 -0.67 -0.00 -1.26 -4.96 115.22 102.71 2jye n HIS 40 Ca -0.48 0.26 0.00 0.00 0.46 0.00 0.00 57.72 57.96 2jye n HIS 40 Cb 0.84 0.43 0.00 0.00 -0.12 0.00 0.00 29.99 31.14 2jye n HIS 40 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2jye n ILE 41 N -3.25 0.00 -4.02 3.57 -0.00 -1.26 -5.11 119.36 109.29 2jye n ILE 41 Ca 0.00 -0.08 -0.10 0.00 -0.00 0.00 0.00 62.75 62.57 2jye n ILE 41 Cb 0.00 0.91 -0.07 0.00 -0.00 0.00 0.00 39.64 40.48 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 -0.19 0.55 -1.43 1.39 5.04 -1.26 -5.07 115.29 114.33 2jye s HIS 42 Ca 0.00 -0.89 -0.15 0.00 -1.54 0.00 0.00 55.06 52.49 2jye s HIS 42 Cb 0.00 -0.12 0.05 0.00 0.04 0.00 0.00 32.58 32.55 2jye s HIS 42 CO 0.00 -0.75 2.13 0.00 -2.34 0.00 0.00 174.74 173.78 2jye n PRO 45 N 1.80 2.42 -1.27 0.00 -0.04 -1.26 -4.86 135.00 131.79 2jye n PRO 45 Ca -0.36 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 2jye n PRO 45 Cb 0.56 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2jye n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jye n ALA 46 N 3.28 -1.71 0.00 0.55 0.00 -1.26 -4.82 120.51 116.55 2jye n ALA 46 Ca 0.52 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.34 2jye n ALA 46 Cb 0.44 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.02 3.20 3.37 0.00 0.00 -1.26 -5.00 105.19 103.48 2jye n GLY 47 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 1.76 0.22 1.61 0.08 -1.26 -4.41 117.98 113.99 2jye s PHE 48 Ca 0.00 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.39 2jye s PHE 48 Cb 0.00 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 2jye s PHE 48 CO 0.00 0.28 0.11 0.99 -0.10 0.00 0.00 175.22 176.50 2jye s THR 49 N -3.04 0.28 -0.33 0.64 2.01 -1.01 -4.77 115.64 109.41 2jye s THR 49 Ca 0.25 -2.00 -0.26 0.00 0.31 0.00 0.00 61.69 60.00 2jye s THR 49 Cb 0.02 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 70.01 2jye s THR 49 CO 0.08 -0.04 0.91 0.00 -0.69 0.00 0.00 174.62 174.89 2jye n ASP 51 N 6.58 0.00 0.00 0.00 2.03 -0.52 -4.01 116.55 120.62 2jye n ASP 51 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2jye n ASP 51 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2jye n ASP 51 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2jye n THR 52 N 0.04 0.00 -0.14 5.18 5.66 -1.26 -1.46 114.28 122.30 2jye n THR 52 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jye n THR 52 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2jye n THR 52 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2jye n GLN 53 N 0.00 0.00 0.00 1.09 7.27 -1.26 -5.02 117.38 119.46 2jye n GLN 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2jye n GLN 53 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2jye n GLN 53 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2jye n LYS 54 N 0.00 0.00 0.00 3.69 0.00 -1.26 -5.04 118.16 115.55 2jye n LYS 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2jye n LYS 54 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.04 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 -1.14 0.00 3.77 3.14 0.00 -1.25 -4.71 105.19 105.00 2jye n GLY 55 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2jye n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jye s THR 56 N 0.00 4.46 -0.60 2.61 -4.23 -0.54 -4.14 115.64 113.21 2jye s THR 56 Ca 0.00 1.67 -0.26 0.00 -1.18 0.00 0.00 61.69 61.92 2jye s THR 56 Cb 0.00 -4.12 0.04 0.00 1.34 0.00 0.00 72.50 69.75 2jye s THR 56 CO 0.00 0.49 1.10 0.00 -0.54 0.00 0.00 174.62 175.67 2jye s GLU 58 N 4.66 1.01 -0.09 0.00 0.41 -0.95 -4.77 118.70 118.97 2jye s GLU 58 Ca 0.36 -1.46 -0.06 0.00 -0.41 0.00 0.00 54.97 53.40 2jye s GLU 58 Cb -0.10 -0.25 -0.24 0.00 -1.78 0.00 0.00 34.13 31.76 2jye s GLU 58 CO 0.21 -0.09 3.42 0.94 -0.49 0.00 0.00 175.26 179.25 2jye n GLN 59 N -0.17 1.99 -3.70 1.61 7.27 -1.26 -2.42 117.38 120.70 2jye n GLN 59 Ca -0.08 -1.01 0.02 0.00 0.07 0.00 0.00 57.00 55.99 2jye n GLN 59 Cb 0.62 -2.02 0.00 0.00 2.41 0.00 0.00 30.24 31.25 2jye n GLN 59 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2jye s LYS 60 N 1.18 0.31 0.44 3.69 -2.85 -1.26 -5.04 119.74 116.21 2jye s LYS 60 Ca 0.63 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 2jye s LYS 60 Cb 0.29 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 2jye s LYS 60 CO -0.00 -0.14 0.00 1.28 0.10 0.00 0.00 175.35 176.58 2jye n LEU 61 N -0.60 -0.81 -3.64 2.77 7.99 -1.26 -4.57 117.00 116.88 2jye n LEU 61 Ca -0.06 1.84 -0.08 0.00 -0.01 0.00 0.00 56.01 57.70 2jye n LEU 61 Cb 0.62 -4.37 -0.07 0.00 -0.11 0.00 0.00 43.42 39.50 2jye n LEU 61 CO 0.13 -2.95 0.70 0.00 -1.51 0.00 0.00 177.39 173.76 2jye s ALA 62 N -3.06 -2.03 0.43 -1.18 0.00 -1.26 -4.75 121.76 109.91 2jye s ALA 62 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 51.96 53.94 2jye s ALA 62 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2jye s ALA 62 CO 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 175.76 175.49 2jye n ALA 63 N 2.66 -1.86 -1.70 0.00 0.00 -1.26 -4.41 120.51 113.95 2jye n ALA 63 Ca -0.14 0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.41 2jye n ALA 63 Cb 0.56 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 2jye n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jye s ALA 64 N -3.28 1.34 -0.68 0.00 0.00 -1.26 -3.76 121.76 114.12 2jye s ALA 64 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 2jye s ALA 64 Cb 0.00 -4.46 0.01 0.00 0.00 0.00 0.00 23.12 18.67 2jye s ALA 64 CO 0.00 -5.01 0.64 1.28 0.00 0.00 0.00 175.76 172.67 2jye n LEU 65 N 16.30 -4.01 -3.58 0.00 7.99 -1.26 -4.93 117.00 127.50 2jye n LEU 65 Ca 0.39 -0.39 -0.31 0.00 -0.01 0.00 0.00 56.01 55.69 2jye n LEU 65 Cb 0.49 -2.27 -0.06 0.00 -0.11 0.00 0.00 43.42 41.47 2jye n LEU 65 CO 0.63 -0.42 0.34 1.21 -1.51 0.00 0.00 177.39 177.64 2jye n GLU 66 N -1.62 3.00 0.00 3.23 2.13 -1.25 -5.07 120.64 121.07 2jye n GLU 66 Ca -0.14 -4.65 0.00 0.00 0.66 0.00 0.00 57.16 53.04 2jye n GLU 66 Cb 0.62 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 30.00 2jye n GLU 66 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2jye n HIS 67 N 0.99 0.00 0.00 4.31 8.25 -1.26 -4.79 115.22 122.72 2jye n HIS 67 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 2jye n HIS 67 Cb 0.39 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2jye n HIS 67 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jye n HIS 68 N 5.07 -0.24 -3.65 4.41 1.44 -1.26 -5.10 115.22 115.88 2jye n HIS 68 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2jye n HIS 68 Cb 0.00 0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.21 2jye n HIS 68 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jye n HIS 69 N -1.69 0.00 -3.71 -1.40 8.25 -1.26 -5.12 115.22 110.29 2jye n HIS 69 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 2jye n HIS 69 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2jye n HIS 69 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jye n HIS 70 N 0.00 -2.37 -4.22 4.41 8.25 -1.26 -4.95 115.22 115.08 2jye n HIS 70 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2jye n HIS 70 Cb 0.00 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.45 2jye n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jye n HIS 71 N -2.44 -1.21 -1.45 4.41 -0.00 -1.26 -5.16 115.22 108.11 2jye n HIS 71 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jye n HIS 71 Cb 0.17 0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2jye n HIS 71 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06