#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 -1.34 0.00 0.00 -1.26 -4.96 117.12 109.56 2jye n MET 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2jye n MET 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2jye n MET 2 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2jye n ASP 3 N 9.23 -7.39 -4.40 7.83 5.68 -1.26 -4.81 116.55 121.43 2jye n ASP 3 Ca 0.00 1.10 -0.44 0.00 -0.50 0.00 0.00 54.79 54.95 2jye n ASP 3 Cb 0.00 -3.92 -0.05 0.00 -1.14 0.00 0.00 41.12 36.01 2jye n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2jye s VAL 4 N -3.41 4.76 -0.59 2.12 1.01 -1.08 -4.94 120.40 118.26 2jye s VAL 4 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 2jye s VAL 4 Cb 0.00 -4.48 0.11 0.00 0.00 0.00 0.00 36.38 32.01 2jye s VAL 4 CO 0.00 -1.11 0.69 -0.54 0.00 0.00 0.00 175.10 174.15 2jye s LYS 5 N 2.88 3.04 -0.17 2.72 -0.14 -1.26 -1.92 119.74 124.89 2jye s LYS 5 Ca 0.14 -1.35 -0.26 0.00 -1.36 0.00 0.00 55.97 53.14 2jye s LYS 5 Cb -0.22 -4.27 -0.01 0.00 -1.68 0.00 0.00 37.83 31.65 2jye s LYS 5 CO 0.08 -1.53 0.88 0.00 -0.76 0.00 0.00 175.35 174.02 2jye n ASP 7 N 5.34 -5.55 -3.84 0.00 2.03 -1.26 -2.50 116.55 110.76 2jye n ASP 7 Ca 0.06 0.22 -0.30 0.00 0.52 0.00 0.00 54.79 55.29 2jye n ASP 7 Cb 0.48 -3.83 0.01 0.00 -0.72 0.00 0.00 41.12 37.07 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 -0.75 -4.71 0.00 -0.67 2.81 -1.23 -4.75 117.12 107.82 2jye n MET 8 Ca -0.09 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 2jye n MET 8 Cb 0.54 -5.38 0.00 0.00 -0.71 0.00 0.00 33.22 27.66 2jye n MET 8 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2jye n GLU 9 N -4.45 3.56 -4.93 0.03 4.07 -1.04 -5.09 120.64 112.80 2jye n GLU 9 Ca 0.04 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.83 2jye n GLU 9 Cb 0.52 -0.51 -0.14 0.00 -0.06 0.00 0.00 31.44 31.26 2jye n GLU 9 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2jye s VAL 10 N -0.42 2.46 -0.49 6.31 1.01 -1.12 -5.01 120.40 123.13 2jye s VAL 10 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 2jye s VAL 10 Cb 0.00 -1.96 0.13 0.00 0.00 0.00 0.00 36.38 34.55 2jye s VAL 10 CO 0.00 0.44 0.30 -0.55 0.00 0.00 0.00 175.10 175.29 2jye s SER 11 N -1.07 5.22 -0.74 3.32 0.15 -1.26 -2.76 113.70 116.56 2jye s SER 11 Ca 0.12 -2.38 -0.01 0.00 0.70 0.00 0.00 55.95 54.39 2jye s SER 11 Cb -0.10 -1.83 0.18 0.00 -1.71 0.00 0.00 66.02 62.56 2jye s SER 11 CO 0.02 -0.47 0.57 0.00 1.20 0.00 0.00 173.24 174.57 2jye n PRO 13 N 2.76 -0.23 -1.61 0.00 -0.04 -1.26 -2.65 135.00 131.97 2jye n PRO 13 Ca 0.15 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 63.12 2jye n PRO 13 Cb 0.37 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.78 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 -1.60 1.86 0.00 3.54 -0.08 -1.26 -0.65 116.55 118.36 2jye n ASP 14 Ca 0.00 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 2jye n ASP 14 Cb 0.00 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.20 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 2.37 0.86 3.51 0.27 0.00 -1.26 -5.03 105.19 105.91 2jye n GLY 15 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.42 2.51 -0.06 1.61 1.51 0.18 0.57 117.35 120.25 2jye s TYR 16 Ca 0.00 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 2jye s TYR 16 Cb 0.00 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2jye s TYR 16 CO 0.00 0.47 -0.22 0.99 -1.11 0.00 0.00 175.55 175.68 2jye s THR 17 N -1.53 1.86 -0.44 -0.71 2.01 0.13 -4.74 115.64 112.22 2jye s THR 17 Ca 0.22 -0.95 -0.12 0.00 0.31 0.00 0.00 61.69 61.15 2jye s THR 17 Cb -0.09 -1.58 0.08 0.00 0.01 0.00 0.00 72.50 70.91 2jye s THR 17 CO 0.12 0.52 0.31 0.00 -0.69 0.00 0.00 174.62 174.88 2jye n ARG 20 N 2.99 -0.30 -0.01 0.00 5.12 -1.26 -0.17 116.66 123.03 2jye n ARG 20 Ca -0.14 -0.04 -0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2jye n ARG 20 Cb 0.57 -1.97 -0.03 0.00 -1.16 0.00 0.00 32.46 29.87 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 -1.88 0.00 0.00 0.55 4.32 -1.17 -4.56 117.00 114.26 2jye n LEU 21 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2jye n LEU 21 Cb 0.53 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2jye n LEU 21 CO 0.50 0.06 0.00 1.67 -1.22 0.00 0.00 177.39 178.40 2jye n GLN 22 N -1.96 0.00 0.00 3.23 7.27 -1.26 -4.66 117.38 120.00 2jye n GLN 22 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 2jye n GLN 22 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 2jye n GLN 22 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2jye n SER 23 N -1.81 0.00 -0.13 1.69 2.88 -1.26 -5.02 113.62 109.97 2jye n SER 23 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2jye n SER 23 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2jye n SER 23 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2jye h GLY 24 N 0.00 0.14 0.00 0.46 0.00 -2.01 -3.47 103.07 98.20 2jye h GLY 24 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2jye h GLY 24 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.34 2jye n ALA 25 N -2.89 0.00 -2.79 3.60 0.00 -1.26 -5.11 120.51 112.06 2jye n ALA 25 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 2jye n ALA 25 Cb 0.29 0.00 -0.05 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 -5.08 3.10 0.19 0.00 0.52 -1.26 -3.03 118.94 113.38 2jye s TRP 26 Ca 0.00 -0.06 0.10 0.00 0.02 0.00 0.00 56.10 56.16 2jye s TRP 26 Cb 0.00 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.82 2jye s TRP 26 CO 0.00 0.52 -0.16 0.20 0.02 0.00 0.00 176.95 177.54 2jye s GLY 27 N -3.31 1.73 -0.29 0.98 0.00 0.76 -4.87 107.32 102.31 2jye s GLY 27 Ca 0.31 -1.56 -0.09 0.00 0.00 0.00 0.00 44.72 43.38 2jye s GLY 27 CO 0.23 -1.58 0.13 0.00 0.00 0.00 0.00 173.10 171.88 2jye n PRO 30 N 5.01 2.08 -1.36 0.00 -0.04 -1.25 0.22 135.00 139.66 2jye n PRO 30 Ca -0.13 -2.32 -0.00 0.00 -0.04 0.00 0.00 63.50 61.01 2jye n PRO 30 Cb 0.48 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 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 8.34 -0.73 0.00 0.54 -1.74 0.19 -4.84 117.46 119.22 2jye n PHE 31 Ca 0.49 -0.04 0.00 0.00 -0.56 0.00 0.00 57.45 57.35 2jye n PHE 31 Cb 0.42 0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.44 2jye n PHE 31 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2jye n THR 32 N -0.02 0.00 -3.00 1.97 -1.04 -1.26 -4.15 114.28 106.78 2jye n THR 32 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jye n THR 32 Cb 0.02 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2jye n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jye n GLN 33 N 0.00 2.35 -2.16 -2.82 6.02 -1.26 -4.74 117.38 114.76 2jye n GLN 33 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2jye n GLN 33 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2jye n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jye n ALA 34 N -3.00 -3.16 -3.58 -1.58 0.00 -1.26 -4.81 120.51 103.12 2jye n ALA 34 Ca 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.84 2jye n ALA 34 Cb 0.00 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.37 2jye n ALA 34 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jye n VAL 35 N 0.07 0.00 -2.01 0.00 0.24 -1.26 -3.17 118.33 112.19 2jye n VAL 35 Ca 0.02 -0.68 -0.19 0.00 -2.04 0.00 0.00 64.34 61.45 2jye n VAL 35 Cb 0.09 0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 33.12 2jye n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jye n GLU 38 N -4.02 5.16 -3.98 0.00 -0.58 -1.26 -5.04 120.64 110.91 2jye n GLU 38 Ca -0.06 -0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.41 2jye n GLU 38 Cb 0.24 -0.73 -0.02 0.00 -0.57 0.00 0.00 31.44 30.37 2jye n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2jye n ASP 39 N -1.15 2.88 -2.70 1.62 8.00 -1.26 -5.09 116.55 118.86 2jye n ASP 39 Ca 0.01 -2.93 -0.07 0.00 0.71 0.00 0.00 54.79 52.51 2jye n ASP 39 Cb 0.07 0.06 0.12 0.00 -0.02 0.00 0.00 41.12 41.35 2jye n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jye n HIS 40 N -1.62 -2.40 -0.54 1.24 1.44 -1.26 -4.35 115.22 107.73 2jye n HIS 40 Ca -0.07 -1.92 0.00 0.00 -2.01 0.00 0.00 57.72 53.72 2jye n HIS 40 Cb 0.61 1.58 0.00 0.00 0.12 0.00 0.00 29.99 32.30 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 -0.65 0.00 -3.64 0.61 0.00 -1.26 -4.34 119.36 110.07 2jye n ILE 41 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 62.75 62.42 2jye n ILE 41 Cb 0.85 0.00 -0.15 0.00 0.00 0.00 0.00 39.64 40.34 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 0.00 1.15 -0.32 9.51 2.46 -1.26 -4.98 115.29 121.85 2jye s HIS 42 Ca 0.00 -1.44 0.01 0.00 0.47 0.00 0.00 55.06 54.09 2jye s HIS 42 Cb 0.00 -1.38 0.09 0.00 -0.13 0.00 0.00 32.58 31.16 2jye s HIS 42 CO 0.00 -0.85 0.97 0.00 -2.47 0.00 0.00 174.74 172.38 2jye n PRO 45 N -1.29 -1.11 -1.90 0.00 -0.02 -1.26 -4.85 135.00 124.57 2jye n PRO 45 Ca 0.00 -0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 60.78 2jye n PRO 45 Cb 0.10 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2jye n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jye s ALA 46 N -2.46 3.63 0.00 3.55 0.00 -1.26 -2.32 121.76 122.91 2jye s ALA 46 Ca 0.63 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2jye s ALA 46 Cb -0.21 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2jye s ALA 46 CO 0.64 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2jye n GLY 47 N 4.18 2.25 3.59 0.00 0.00 -1.26 -5.08 105.19 108.88 2jye n GLY 47 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.14 2.59 0.32 1.61 0.08 -0.98 -4.38 117.98 115.09 2jye s PHE 48 Ca 0.00 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.83 2jye s PHE 48 Cb 0.00 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 2jye s PHE 48 CO 0.00 0.63 0.11 -0.08 -0.10 0.00 0.00 175.22 175.78 2jye s THR 49 N -2.27 0.64 -0.35 0.64 -1.32 -0.68 -4.63 115.64 107.68 2jye s THR 49 Ca 0.30 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.52 2jye s THR 49 Cb -0.06 -2.58 0.01 0.00 -1.51 0.00 0.00 72.50 68.36 2jye s THR 49 CO 0.18 0.00 0.92 0.00 -2.21 0.00 0.00 174.62 173.51 2jye s ASP 51 N 1.79 4.77 -0.09 0.00 1.11 0.55 -4.35 116.67 120.45 2jye s ASP 51 Ca 0.38 -0.84 0.00 0.00 0.18 0.00 0.00 52.55 52.27 2jye s ASP 51 Cb -0.12 -0.61 0.00 0.00 1.07 0.00 0.00 42.92 43.25 2jye s ASP 51 CO 0.17 -0.50 0.00 0.41 1.18 0.00 0.00 175.17 176.42 2jye n THR 52 N -1.33 0.00 -0.79 -1.27 -1.04 -1.26 -2.38 114.28 106.21 2jye n THR 52 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jye n THR 52 Cb 0.62 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 2jye n THR 52 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2jye n GLN 53 N 0.27 -1.29 -0.09 -2.82 0.00 -1.26 -4.70 117.38 107.48 2jye n GLN 53 Ca -0.01 0.31 -0.17 0.00 -0.00 0.00 0.00 57.00 57.13 2jye n GLN 53 Cb 0.43 -4.70 -0.13 0.00 0.00 0.00 0.00 30.24 25.84 2jye n GLN 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2jye n LYS 54 N -0.05 0.68 0.00 3.69 3.00 -1.07 -4.59 118.16 119.83 2jye n LYS 54 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 2jye n LYS 54 Cb 0.31 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.77 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 2.12 0.88 3.58 3.14 0.00 -1.09 -4.27 105.19 109.55 2jye n GLY 55 Ca -0.40 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.07 4.54 -0.62 2.61 2.01 -1.00 -4.75 115.64 117.35 2jye s THR 56 Ca 0.00 0.89 -0.25 0.00 0.31 0.00 0.00 61.69 62.64 2jye s THR 56 Cb 0.00 -4.38 0.04 0.00 0.01 0.00 0.00 72.50 68.17 2jye s THR 56 CO 0.00 -0.70 1.08 0.00 -0.69 0.00 0.00 174.62 174.31 2jye s GLU 58 N 4.63 1.13 -1.06 0.00 2.02 -0.94 -4.80 118.70 119.67 2jye s GLU 58 Ca 0.33 -1.55 -0.14 0.00 0.02 0.00 0.00 54.97 53.63 2jye s GLU 58 Cb -0.11 -0.29 -0.08 0.00 0.10 0.00 0.00 34.13 33.76 2jye s GLU 58 CO 0.18 -0.13 2.18 0.00 0.02 0.00 0.00 175.26 177.51 2jye n GLN 59 N -0.26 2.24 -3.12 1.61 10.64 -1.26 -1.69 117.38 125.54 2jye n GLN 59 Ca -0.06 -1.91 -0.14 0.00 -1.83 0.00 0.00 57.00 53.05 2jye n GLN 59 Cb 0.63 -2.82 0.01 0.00 -0.86 0.00 0.00 30.24 27.21 2jye n GLN 59 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2jye n LYS 60 N 5.47 -1.92 0.00 2.61 4.76 -1.26 -4.96 118.16 122.86 2jye n LYS 60 Ca 0.52 1.69 0.00 0.00 -2.87 0.00 0.00 58.31 57.66 2jye n LYS 60 Cb 0.29 -3.28 0.00 0.00 -1.84 0.00 0.00 35.03 30.20 2jye n LYS 60 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2jye n LEU 61 N 0.34 0.29 0.00 -0.35 4.32 -1.26 -4.81 117.00 115.53 2jye n LEU 61 Ca 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 56.01 55.45 2jye n LEU 61 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 2jye n LEU 61 CO 0.38 0.07 0.00 0.00 -1.22 0.00 0.00 177.39 176.62 2jye n ALA 62 N -0.50 0.25 -0.94 -1.18 0.00 -1.26 -4.99 120.51 111.88 2jye n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jye n ALA 62 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 0.00 -2.81 0.00 0.00 -1.26 -3.16 120.51 113.28 2jye n ALA 63 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2jye n ALA 63 Cb 0.31 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.79 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 4.57 -0.95 -3.00 0.00 0.00 -1.26 -4.18 120.51 115.70 2jye n ALA 64 Ca 0.00 -1.63 -0.14 0.00 0.00 0.00 0.00 53.44 51.67 2jye n ALA 64 Cb 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.18 2jye n ALA 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jye n LEU 65 N 1.71 -6.60 0.22 0.00 7.94 -1.19 -4.71 117.00 114.38 2jye n LEU 65 Ca 0.11 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 2jye n LEU 65 Cb 0.61 -2.93 0.00 0.00 0.53 0.00 0.00 43.42 41.63 2jye n LEU 65 CO 0.05 -1.91 0.00 1.21 -1.11 0.00 0.00 177.39 175.63 2jye n GLU 66 N -0.10 0.00 -1.18 1.96 0.00 -1.25 -4.97 120.64 115.11 2jye n GLU 66 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.90 2jye n GLU 66 Cb 0.46 0.00 0.11 0.00 0.00 0.00 0.00 31.44 32.01 2jye n GLU 66 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jye s HIS 67 N -2.00 2.29 0.42 4.31 3.76 -1.26 -5.05 115.29 117.76 2jye s HIS 67 Ca 0.00 1.62 0.06 0.00 -0.15 0.00 0.00 55.06 56.60 2jye s HIS 67 Cb 0.00 -3.17 0.01 0.00 1.11 0.00 0.00 32.58 30.53 2jye s HIS 67 CO 0.00 -2.11 0.59 -1.58 -0.85 0.00 0.00 174.74 170.78 2jye s HIS 68 N -2.71 2.91 0.16 1.40 2.46 -1.26 -5.03 115.29 113.22 2jye s HIS 68 Ca 0.64 -0.26 0.02 0.00 0.47 0.00 0.00 55.06 55.93 2jye s HIS 68 Cb -0.20 -2.35 -0.01 0.00 -0.13 0.00 0.00 32.58 29.89 2jye s HIS 68 CO 0.54 -0.40 0.06 0.72 -2.47 0.00 0.00 174.74 173.20 2jye n HIS 69 N -1.89 0.01 -2.99 3.88 8.25 -1.26 -5.08 115.22 116.15 2jye n HIS 69 Ca 0.06 -1.03 -0.44 0.00 -0.26 0.00 0.00 57.72 56.05 2jye n HIS 69 Cb 0.59 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2jye n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jye n HIS 70 N -0.35 4.03 -4.73 4.41 -0.00 -1.26 -4.98 115.22 112.34 2jye n HIS 70 Ca -0.02 -3.25 -0.32 0.00 0.46 0.00 0.00 57.72 54.60 2jye n HIS 70 Cb 0.24 -1.75 -0.08 0.00 -0.12 0.00 0.00 29.99 28.28 2jye n HIS 70 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jye s HIS 71 N -0.71 1.86 0.00 1.57 4.02 -1.26 -5.40 115.29 115.37 2jye s HIS 71 Ca 0.35 -1.00 0.00 0.00 1.02 0.00 0.00 55.06 55.44 2jye s HIS 71 Cb -0.01 -1.56 0.00 0.00 -1.02 0.00 0.00 32.58 29.99 2jye s HIS 71 CO 0.00 0.17 0.00 1.58 1.02 0.00 0.00 174.74 177.51