#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 0.00 -1.24 0.00 0.00 -1.26 -4.98 117.12 109.64 2jye n MET 2 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.70 57.87 2jye n MET 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 2jye n MET 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2jye n ASP 3 N -2.45 -7.40 -4.44 6.12 8.00 -1.26 -4.46 116.55 110.67 2jye n ASP 3 Ca 0.00 0.64 -0.44 0.00 0.71 0.00 0.00 54.79 55.70 2jye n ASP 3 Cb 0.00 -3.85 -0.02 0.00 -0.02 0.00 0.00 41.12 37.23 2jye n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jye s VAL 4 N -2.45 4.93 -0.46 2.53 1.01 -0.66 -4.95 120.40 120.35 2jye s VAL 4 Ca 0.00 -1.96 -0.19 0.00 0.00 0.00 0.00 61.98 59.82 2jye s VAL 4 Cb 0.00 -4.77 0.03 0.00 0.00 0.00 0.00 36.38 31.64 2jye s VAL 4 CO 0.00 -1.47 0.59 -0.54 0.00 0.00 0.00 175.10 173.68 2jye s LYS 5 N 2.04 3.19 0.41 2.72 1.02 -1.26 -2.66 119.74 125.20 2jye s LYS 5 Ca 0.33 -0.61 0.28 0.00 0.02 0.00 0.00 55.97 55.99 2jye s LYS 5 Cb -0.05 -4.00 0.92 0.00 -0.52 0.00 0.00 37.83 34.18 2jye s LYS 5 CO -0.07 -1.04 1.80 0.00 -0.92 0.00 0.00 175.35 175.11 2jye n ASP 7 N -2.79 0.00 -2.31 0.00 5.75 -1.26 -5.05 116.55 110.89 2jye n ASP 7 Ca 0.03 -0.48 -0.33 0.00 -0.01 0.00 0.00 54.79 54.00 2jye n ASP 7 Cb 0.37 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.52 2jye n ASP 7 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 2jye n MET 8 N 0.00 2.90 0.00 0.11 0.00 -1.26 -4.34 117.12 114.53 2jye n MET 8 Ca 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 57.70 54.19 2jye n MET 8 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 30.93 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 -0.84 0.01 -4.00 3.17 2.13 -1.26 -5.11 120.64 114.74 2jye n GLU 9 Ca 0.58 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 58.05 2jye n GLU 9 Cb 0.69 -0.02 -0.09 0.00 0.27 0.00 0.00 31.44 32.29 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 -0.95 4.93 -0.38 6.31 1.01 -1.26 -5.07 120.40 124.98 2jye s VAL 10 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2jye s VAL 10 Cb 0.00 -3.19 0.11 0.00 0.00 0.00 0.00 36.38 33.30 2jye s VAL 10 CO 0.00 0.51 0.12 -0.55 0.00 0.00 0.00 175.10 175.18 2jye s SER 11 N -0.09 4.44 -0.64 3.32 0.15 -1.26 -4.07 113.70 115.55 2jye s SER 11 Ca 0.07 -2.26 -0.09 0.00 0.70 0.00 0.00 55.95 54.37 2jye s SER 11 Cb -0.12 -1.43 0.17 0.00 -1.71 0.00 0.00 66.02 62.93 2jye s SER 11 CO 0.01 -0.35 0.52 0.00 1.20 0.00 0.00 173.24 174.62 2jye n PRO 13 N 4.13 1.20 -1.66 0.00 -0.04 -1.26 -1.66 135.00 135.71 2jye n PRO 13 Ca 0.04 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.04 2jye n PRO 13 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 2jye n PRO 13 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jye n ASP 14 N 0.00 2.79 0.00 3.54 5.75 -1.26 -0.97 116.55 126.40 2jye n ASP 14 Ca 0.00 1.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.90 2jye n ASP 14 Cb 0.00 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 38.68 2jye n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jye n GLY 15 N 2.67 2.47 3.85 6.12 0.00 -1.26 -5.02 105.19 114.01 2jye n GLY 15 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.24 3.30 0.08 1.61 1.51 -0.14 -1.85 117.35 119.63 2jye s TYR 16 Ca 0.00 0.08 0.06 0.00 -1.01 0.00 0.00 57.07 56.20 2jye s TYR 16 Cb 0.00 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 2jye s TYR 16 CO 0.00 0.53 -0.17 -0.08 -1.11 0.00 0.00 175.55 174.72 2jye s THR 17 N -1.63 1.37 -0.33 -0.71 -1.32 0.42 -4.67 115.64 108.76 2jye s THR 17 Ca 0.32 -1.40 -0.10 0.00 -1.21 0.00 0.00 61.69 59.30 2jye s THR 17 Cb -0.11 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2jye s THR 17 CO 0.25 -0.15 0.17 0.00 -2.21 0.00 0.00 174.62 172.68 2jye n ARG 20 N 3.81 1.59 0.00 0.00 5.12 -1.26 -0.37 116.66 125.54 2jye n ARG 20 Ca -0.23 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 2jye n ARG 20 Cb 0.52 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 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 0.37 0.00 -1.88 0.55 4.77 -0.89 -4.75 117.00 115.17 2jye n LEU 21 Ca 0.08 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 2jye n LEU 21 Cb 0.39 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2jye n LEU 21 CO 0.58 0.00 1.14 1.67 -1.33 0.00 0.00 177.39 179.44 2jye n GLN 22 N 0.00 1.90 -1.24 3.23 7.27 -1.26 -4.80 117.38 122.48 2jye n GLN 22 Ca 0.00 -1.93 -0.11 0.00 0.07 0.00 0.00 57.00 55.03 2jye n GLN 22 Cb 0.00 -1.76 -0.05 0.00 2.41 0.00 0.00 30.24 30.85 2jye n GLN 22 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2jye n SER 23 N -0.24 -4.20 -0.00 1.69 3.41 -1.26 -4.72 113.62 108.30 2jye n SER 23 Ca 0.38 0.27 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 2jye n SER 23 Cb 0.90 -3.44 -0.09 0.00 -0.26 0.00 0.00 64.21 61.33 2jye n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jye n GLY 24 N 0.01 -0.38 1.04 5.00 0.00 -1.26 -5.07 105.19 104.53 2jye n GLY 24 Ca -0.11 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.56 2jye n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jye n ALA 25 N -1.55 -0.93 -2.71 4.61 0.00 -1.26 -5.08 120.51 113.59 2jye n ALA 25 Ca 0.01 -0.21 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 2jye n ALA 25 Cb 0.26 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 2jye n ALA 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2jye s TRP 26 N -2.94 2.85 0.12 0.00 0.52 -1.26 -2.09 118.94 116.13 2jye s TRP 26 Ca 0.08 -0.18 0.09 0.00 0.02 0.00 0.00 56.10 56.11 2jye s TRP 26 Cb -0.00 -1.27 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 2jye s TRP 26 CO -0.00 0.59 -0.23 0.20 0.02 0.00 0.00 176.95 177.52 2jye s GLY 27 N -3.73 1.39 -0.37 0.98 0.00 0.50 -4.84 107.32 101.25 2jye s GLY 27 Ca 0.32 -1.35 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 2jye s GLY 27 CO 0.22 -1.35 0.20 0.00 0.00 0.00 0.00 173.10 172.16 2jye n PRO 30 N 4.65 2.51 -0.87 0.00 -0.04 -1.25 -0.44 135.00 139.55 2jye n PRO 30 Ca -0.16 -1.39 -0.29 0.00 -0.04 0.00 0.00 63.50 61.62 2jye n PRO 30 Cb 0.52 -2.27 0.21 0.00 -0.04 0.00 0.00 33.50 31.91 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 1.58 1.75 -0.00 0.54 -0.71 -0.77 -4.88 117.98 115.49 2jye s PHE 31 Ca 0.64 1.11 0.01 0.00 -1.04 0.00 0.00 56.93 57.65 2jye s PHE 31 Cb 0.25 -3.18 0.01 0.00 -1.21 0.00 0.00 43.02 38.89 2jye s PHE 31 CO -0.02 -3.32 0.96 -2.37 -1.34 0.00 0.00 175.22 169.13 2jye n THR 32 N -4.51 0.07 0.01 -4.49 5.66 -1.26 -4.68 114.28 105.08 2jye n THR 32 Ca 0.04 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2jye n THR 32 Cb 0.56 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 2jye n THR 32 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2jye n GLN 33 N -0.06 0.00 -3.15 1.09 7.27 -1.26 -5.12 117.38 116.16 2jye n GLN 33 Ca 0.01 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 2jye n GLN 33 Cb 0.68 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.31 2jye n GLN 33 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jye s ALA 34 N -1.32 -3.85 0.00 1.69 0.00 -1.26 -5.06 121.76 111.96 2jye s ALA 34 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2jye s ALA 34 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2jye s ALA 34 CO 0.00 -1.61 0.00 0.28 0.00 0.00 0.00 175.76 174.43 2jye n VAL 35 N 5.41 0.00 -0.35 0.00 0.31 -1.26 -4.75 118.33 117.70 2jye n VAL 35 Ca -0.05 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.36 2jye n VAL 35 Cb 0.55 -0.47 0.27 0.00 -0.91 0.00 0.00 33.84 33.28 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 1.47 0.00 0.00 0.00 4.71 -1.26 -4.18 120.64 121.39 2jye n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2jye n GLU 38 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2jye n GLU 38 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2jye n ASP 39 N 0.00 0.00 -1.68 1.62 -0.08 -1.26 -2.14 116.55 113.02 2jye n ASP 39 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 2jye n ASP 39 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 2jye n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jye n HIS 40 N 0.00 -0.76 -3.90 -0.67 1.44 -1.26 -5.15 115.22 104.92 2jye n HIS 40 Ca 0.00 -0.73 -0.09 0.00 -2.01 0.00 0.00 57.72 54.89 2jye n HIS 40 Cb 0.00 0.87 -0.02 0.00 0.12 0.00 0.00 29.99 30.95 2jye n HIS 40 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2jye n ILE 41 N -0.57 0.00 -4.17 0.61 -6.64 -0.91 -5.19 119.36 102.49 2jye n ILE 41 Ca -0.12 -1.07 -0.11 0.00 -1.77 0.00 0.00 62.75 59.68 2jye n ILE 41 Cb 0.64 0.63 -0.04 0.00 -1.44 0.00 0.00 39.64 39.43 2jye n ILE 41 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jye n HIS 42 N -0.33 -0.30 0.20 4.28 1.44 -1.18 -4.60 115.22 114.72 2jye n HIS 42 Ca 0.01 -1.43 0.12 0.00 -2.01 0.00 0.00 57.72 54.41 2jye n HIS 42 Cb 0.33 0.12 0.40 0.00 0.12 0.00 0.00 29.99 30.96 2jye n HIS 42 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jye n PRO 45 N -3.49 -0.14 -1.28 0.00 -0.02 -1.26 -4.81 135.00 124.00 2jye n PRO 45 Ca -0.06 -0.03 -0.34 0.00 -2.02 0.00 0.00 63.50 61.05 2jye n PRO 45 Cb 0.43 -1.29 0.11 0.00 -0.02 0.00 0.00 33.50 32.74 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 -2.95 0.32 0.00 3.55 0.00 -1.26 -2.91 120.51 117.26 2jye n ALA 46 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2jye n ALA 46 Cb 0.56 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 0.65 3.13 3.95 0.00 0.00 -1.26 -4.94 105.19 106.72 2jye n GLY 47 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 1.66 -0.27 1.61 0.40 -1.15 0.41 117.98 118.65 2jye s PHE 48 Ca 0.00 0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.31 2jye s PHE 48 Cb 0.00 -3.69 0.08 0.00 0.51 0.00 0.00 43.02 39.91 2jye s PHE 48 CO 0.00 -2.27 0.65 0.99 0.70 0.00 0.00 175.22 175.29 2jye s THR 49 N -3.61 -0.00 -0.45 0.64 2.01 -0.23 -4.65 115.64 109.34 2jye s THR 49 Ca 0.71 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 62.46 2jye s THR 49 Cb -0.05 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.54 2jye s THR 49 CO 0.50 0.00 0.97 0.00 -0.69 0.00 0.00 174.62 175.40 2jye s ASP 51 N 2.24 7.03 0.27 0.00 1.01 0.24 -4.73 116.67 122.72 2jye s ASP 51 Ca 0.39 1.26 0.15 0.00 0.71 0.00 0.00 52.55 55.06 2jye s ASP 51 Cb -0.10 -2.48 0.82 0.00 1.01 0.00 0.00 42.92 42.17 2jye s ASP 51 CO 0.26 -0.40 1.41 0.41 0.21 0.00 0.00 175.17 177.06 2jye n THR 52 N 4.65 0.97 0.11 -1.27 -1.04 -1.24 0.13 114.28 116.60 2jye n THR 52 Ca 0.05 0.70 0.11 0.00 -2.04 0.00 0.00 64.05 62.87 2jye n THR 52 Cb 0.49 -1.70 0.59 0.00 -1.82 0.00 0.00 70.33 67.89 2jye n THR 52 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2jye h GLN 53 N 0.00 0.15 0.00 -2.82 -0.00 -1.90 -3.36 115.11 107.17 2jye h GLN 53 Ca 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.58 2jye h GLN 53 Cb 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.64 2jye h GLN 53 CO 0.00 0.10 -0.12 1.17 0.00 0.00 0.00 178.83 179.98 2jye n LYS 54 N -4.48 0.10 -4.03 1.69 0.00 -0.34 -4.99 118.16 106.10 2jye n LYS 54 Ca 0.03 -0.43 -0.28 0.00 0.00 0.00 0.00 58.31 57.63 2jye n LYS 54 Cb 0.24 0.44 -0.03 0.00 0.00 0.00 0.00 35.03 35.68 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 -0.11 -0.26 3.56 3.14 0.00 0.36 -4.92 105.19 106.95 2jye n GLY 55 Ca -0.11 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.86 4.92 -0.07 2.61 2.01 -1.02 -4.72 115.64 115.51 2jye s THR 56 Ca 0.15 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 2jye s THR 56 Cb -0.08 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2jye s THR 56 CO 0.90 0.32 0.67 0.00 -0.69 0.00 0.00 174.62 175.83 2jye s GLU 58 N 0.79 0.11 -1.03 0.00 -1.05 -0.62 -4.73 118.70 112.17 2jye s GLU 58 Ca 0.36 0.32 -0.27 0.00 -0.15 0.00 0.00 54.97 55.23 2jye s GLU 58 Cb -0.17 -0.12 -0.25 0.00 -0.44 0.00 0.00 34.13 33.15 2jye s GLU 58 CO 0.17 -0.13 2.09 0.00 0.95 0.00 0.00 175.26 178.34 2jye n GLN 59 N 3.90 0.08 0.00 -4.83 -0.00 -1.26 -1.07 117.38 114.21 2jye n GLN 59 Ca -0.23 -1.67 0.00 0.00 -0.00 0.00 0.00 57.00 55.10 2jye n GLN 59 Cb 0.54 -3.87 0.00 0.00 -0.00 0.00 0.00 30.24 26.90 2jye n GLN 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2jye n LYS 60 N 8.13 0.00 -3.85 2.61 5.02 0.17 -4.84 118.16 125.39 2jye n LYS 60 Ca 0.41 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.65 2jye n LYS 60 Cb 0.47 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.50 2jye n LYS 60 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jye s LEU 61 N 0.00 0.01 -1.30 -0.35 1.43 -1.25 -4.77 118.68 112.45 2jye s LEU 61 Ca 0.00 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 2jye s LEU 61 Cb 0.00 2.44 0.13 0.00 0.03 0.00 0.00 46.19 48.79 2jye s LEU 61 CO 0.00 -1.32 1.80 0.00 0.23 0.00 0.00 176.35 177.06 2jye n ALA 62 N -0.63 4.69 0.27 4.21 0.00 -1.26 -4.74 120.51 123.05 2jye n ALA 62 Ca -0.05 -4.14 0.13 0.00 0.00 0.00 0.00 53.44 49.38 2jye n ALA 62 Cb 0.60 -3.21 0.75 0.00 0.00 0.00 0.00 19.45 17.59 2jye n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jye h ALA 63 N 6.48 1.30 0.01 0.00 0.00 -1.97 -3.22 119.26 121.86 2jye h ALA 63 Ca 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2jye h ALA 63 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jye h ALA 63 CO 1.54 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 180.92 2jye h ALA 64 N 1.90 -0.03 -3.18 0.00 0.00 -1.98 -3.46 119.26 112.52 2jye h ALA 64 Ca -0.00 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 2jye h ALA 64 Cb 0.29 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.69 2jye h ALA 64 CO 0.01 -0.02 -0.76 -0.51 0.00 0.00 0.00 179.25 177.97 2jye s LEU 65 N -7.16 0.80 -0.06 0.00 1.43 -1.22 -4.93 118.68 107.55 2jye s LEU 65 Ca -0.00 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 2jye s LEU 65 Cb 0.00 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.80 2jye s LEU 65 CO 0.01 -0.32 -0.09 -0.70 0.23 0.00 0.00 176.35 175.47 2jye s GLU 66 N 1.98 1.40 0.00 1.70 2.12 -1.22 -3.67 118.70 121.02 2jye s GLU 66 Ca 0.00 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2jye s GLU 66 Cb -0.17 -1.23 0.00 0.00 0.26 0.00 0.00 34.13 32.99 2jye s GLU 66 CO -0.08 -0.03 0.00 0.72 -0.54 0.00 0.00 175.26 175.33 2jye n HIS 67 N 3.98 0.00 -3.55 5.30 8.25 -1.26 -5.03 115.22 122.91 2jye n HIS 67 Ca -0.23 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.01 2jye n HIS 67 Cb 0.51 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.47 2jye n HIS 67 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jye s HIS 68 N -0.01 -0.02 0.00 4.41 0.09 -1.26 -5.08 115.29 113.42 2jye s HIS 68 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 55.06 54.94 2jye s HIS 68 Cb 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 32.58 32.02 2jye s HIS 68 CO 0.00 -0.58 0.14 1.58 -0.00 0.00 0.00 174.74 175.88 2jye n HIS 69 N 5.30 0.00 0.16 1.40 -0.00 -1.26 -5.03 115.22 115.79 2jye n HIS 69 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 2jye n HIS 69 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2jye n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jye n HIS 70 N -0.34 -3.62 -1.25 1.57 -0.00 -1.26 -5.09 115.22 105.23 2jye n HIS 70 Ca 0.00 1.01 0.00 0.00 0.46 0.00 0.00 57.72 59.19 2jye n HIS 70 Cb 0.00 2.52 0.00 0.00 -0.12 0.00 0.00 29.99 32.39 2jye n HIS 70 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jye n HIS 71 N -3.24 -3.41 0.00 1.57 8.25 -1.26 -5.32 115.22 111.81 2jye n HIS 71 Ca 0.00 1.81 0.00 0.00 -0.26 0.00 0.00 57.72 59.27 2jye n HIS 71 Cb 0.00 -2.98 0.00 0.00 1.12 0.00 0.00 29.99 28.13 2jye n HIS 71 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70