#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 1.30 0.18 0.00 1.00 -1.26 -5.14 119.30 115.37 2jye s MET 2 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 55.69 55.53 2jye s MET 2 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 34.83 33.53 2jye s MET 2 CO 0.00 -0.12 -0.14 -0.51 0.00 0.00 0.00 175.02 174.25 2jye s ASP 3 N 1.18 2.34 -0.34 3.03 1.01 -1.26 -4.58 116.67 118.05 2jye s ASP 3 Ca -0.06 -0.98 -0.13 0.00 0.71 0.00 0.00 52.55 52.10 2jye s ASP 3 Cb -0.14 -0.10 -0.02 0.00 1.01 0.00 0.00 42.92 43.67 2jye s ASP 3 CO -0.02 -0.19 0.24 -0.69 0.21 0.00 0.00 175.17 174.72 2jye s VAL 4 N -2.85 5.27 -0.10 -1.27 1.01 -0.87 -5.00 120.40 116.59 2jye s VAL 4 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2jye s VAL 4 Cb -0.01 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2jye s VAL 4 CO 0.05 0.00 -0.09 -0.75 0.00 0.00 0.00 175.10 174.31 2jye s LYS 5 N 1.72 3.07 -0.07 2.72 2.36 -1.26 -1.87 119.74 126.41 2jye s LYS 5 Ca 0.06 -0.60 -0.03 0.00 -2.55 0.00 0.00 55.97 52.85 2jye s LYS 5 Cb -0.17 -2.64 0.04 0.00 -1.05 0.00 0.00 37.83 34.01 2jye s LYS 5 CO 0.10 0.45 0.08 0.00 1.55 0.00 0.00 175.35 177.54 2jye n ASP 7 N 5.30 -7.94 -3.18 0.00 -0.08 -1.26 -3.14 116.55 106.26 2jye n ASP 7 Ca -0.04 1.06 -0.36 0.00 -1.51 0.00 0.00 54.79 53.93 2jye n ASP 7 Cb 0.50 -4.43 -0.01 0.00 2.34 0.00 0.00 41.12 39.52 2jye n ASP 7 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2jye n MET 8 N -4.19 3.97 0.00 -0.67 2.81 -1.26 -3.70 117.12 114.07 2jye n MET 8 Ca -0.05 -3.35 0.00 0.00 -1.81 0.00 0.00 57.70 52.49 2jye n MET 8 Cb 0.63 -2.44 0.00 0.00 -0.71 0.00 0.00 33.22 30.71 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 0.99 0.00 -4.90 0.03 2.13 -1.26 -5.13 120.64 112.50 2jye n GLU 9 Ca 0.55 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.10 2jye n GLU 9 Cb 0.33 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.88 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 0.00 1.53 -0.31 6.31 1.01 -1.19 -5.09 120.40 122.67 2jye s VAL 10 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 2jye s VAL 10 Cb 0.00 -1.32 0.10 0.00 0.00 0.00 0.00 36.38 35.17 2jye s VAL 10 CO 0.00 0.44 0.12 -0.55 0.00 0.00 0.00 175.10 175.11 2jye s SER 11 N 0.05 3.74 -0.71 3.32 0.15 -1.26 -3.29 113.70 115.71 2jye s SER 11 Ca -0.05 -1.56 -0.09 0.00 0.70 0.00 0.00 55.95 54.95 2jye s SER 11 Cb -0.12 -0.62 0.18 0.00 -1.71 0.00 0.00 66.02 63.75 2jye s SER 11 CO 0.03 -0.41 0.59 0.00 1.20 0.00 0.00 173.24 174.64 2jye n PRO 13 N 3.82 2.11 -1.69 0.00 -0.04 -1.26 -2.05 135.00 135.89 2jye n PRO 13 Ca 0.09 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.11 2jye n PRO 13 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.00 3.20 0.00 3.54 8.00 -1.26 -1.02 116.55 129.01 2jye n ASP 14 Ca 0.00 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.62 2jye n ASP 14 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 2jye n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jye n GLY 15 N 2.66 2.41 3.82 0.44 0.00 -1.26 -5.01 105.19 108.25 2jye n GLY 15 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.53 3.23 -0.01 1.61 1.51 -0.19 0.36 117.35 121.32 2jye s TYR 16 Ca 0.00 0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.17 2jye s TYR 16 Cb 0.00 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 2jye s TYR 16 CO 0.00 0.52 -0.24 -0.08 -1.11 0.00 0.00 175.55 174.64 2jye s THR 17 N -1.65 1.89 -0.37 -0.71 -1.32 0.75 -4.67 115.64 109.55 2jye s THR 17 Ca 0.31 -1.04 -0.11 0.00 -1.21 0.00 0.00 61.69 59.64 2jye s THR 17 Cb -0.11 -1.57 0.02 0.00 -1.51 0.00 0.00 72.50 69.33 2jye s THR 17 CO 0.24 0.52 0.22 0.00 -2.21 0.00 0.00 174.62 173.38 2jye n ARG 20 N 2.54 0.57 0.00 0.00 5.12 -1.26 0.14 116.66 123.76 2jye n ARG 20 Ca -0.15 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2jye n ARG 20 Cb 0.57 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.59 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 -1.82 0.00 -1.62 0.55 4.77 -0.27 -4.74 117.00 113.87 2jye n LEU 21 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 2jye n LEU 21 Cb 0.49 -0.06 0.19 0.00 -2.33 0.00 0.00 43.42 41.72 2jye n LEU 21 CO 0.48 -0.10 0.95 0.00 -1.33 0.00 0.00 177.39 177.39 2jye n GLN 22 N -1.53 2.03 -1.02 3.23 6.02 -1.26 -4.73 117.38 120.11 2jye n GLN 22 Ca 0.00 -3.12 -0.01 0.00 -0.01 0.00 0.00 57.00 53.86 2jye n GLN 22 Cb 0.00 -1.97 -0.00 0.00 1.02 0.00 0.00 30.24 29.28 2jye n GLN 22 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jye n SER 23 N -1.12 -5.43 -0.00 1.08 2.88 -1.26 -4.73 113.62 105.03 2jye n SER 23 Ca 0.45 0.02 0.02 0.00 -1.33 0.00 0.00 58.87 58.03 2jye n SER 23 Cb 1.31 -3.01 -0.02 0.00 -0.75 0.00 0.00 64.21 61.74 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 0.21 0.53 3.54 0.46 0.00 -1.26 -5.07 105.19 103.60 2jye n GLY 24 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.48 -1.83 0.50 4.61 0.00 -1.26 -5.07 121.76 117.23 2jye s ALA 25 Ca 0.01 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 2jye s ALA 25 Cb 0.03 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 2jye s ALA 25 CO 0.16 -0.73 0.77 -1.58 0.00 0.00 0.00 175.76 174.37 2jye s TRP 26 N -3.08 3.31 0.01 0.00 0.52 -1.26 -1.11 118.94 117.34 2jye s TRP 26 Ca 0.06 0.50 0.01 0.00 0.02 0.00 0.00 56.10 56.69 2jye s TRP 26 Cb -0.01 -2.44 -0.01 0.00 -1.15 0.00 0.00 33.47 29.86 2jye s TRP 26 CO -0.07 -0.48 -0.04 0.20 0.02 0.00 0.00 176.95 176.57 2jye s GLY 27 N -4.22 0.27 -0.36 0.98 0.00 0.12 -4.77 107.32 99.35 2jye s GLY 27 Ca 0.50 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.74 2jye s GLY 27 CO 0.42 -0.42 0.15 0.00 0.00 0.00 0.00 173.10 173.25 2jye n PRO 30 N 4.98 2.67 -3.82 0.00 -0.04 -1.25 -0.18 135.00 137.36 2jye n PRO 30 Ca -0.15 -2.49 -0.08 0.00 -0.04 0.00 0.00 63.50 60.75 2jye n PRO 30 Cb 0.50 -3.23 0.03 0.00 -0.04 0.00 0.00 33.50 30.76 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 3.44 0.14 0.49 0.54 -0.71 0.16 -4.87 117.98 117.17 2jye s PHE 31 Ca 0.49 -0.78 -0.07 0.00 -1.04 0.00 0.00 56.93 55.53 2jye s PHE 31 Cb 0.14 0.82 0.11 0.00 -1.21 0.00 0.00 43.02 42.89 2jye s PHE 31 CO -0.06 -1.46 0.67 -2.37 -1.34 0.00 0.00 175.22 170.66 2jye n THR 32 N -0.58 0.00 -4.10 -4.49 5.66 -1.26 -4.59 114.28 104.91 2jye n THR 32 Ca -0.07 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 2jye n THR 32 Cb 0.60 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 2jye n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jye n GLN 33 N -2.39 0.00 -3.55 1.09 3.00 -1.26 -4.80 117.38 109.47 2jye n GLN 33 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.96 2jye n GLN 33 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.44 2jye n GLN 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jye s ALA 34 N -1.82 -0.75 -0.02 -1.58 0.00 -1.26 -4.95 121.76 111.38 2jye s ALA 34 Ca 0.00 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.91 2jye s ALA 34 Cb 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 2jye s ALA 34 CO 0.00 -0.92 -0.15 0.08 0.00 0.00 0.00 175.76 174.77 2jye s VAL 35 N 2.47 1.20 -0.08 0.00 1.01 -1.26 -4.76 120.40 118.98 2jye s VAL 35 Ca 0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2jye s VAL 35 Cb -0.14 -1.01 0.10 0.00 0.00 0.00 0.00 36.38 35.33 2jye s VAL 35 CO -0.12 0.34 0.74 0.00 0.00 0.00 0.00 175.10 176.07 2jye s GLU 38 N -4.66 0.35 2.18 0.00 2.02 -1.26 -4.84 118.70 112.50 2jye s GLU 38 Ca 0.67 0.65 0.00 0.00 0.02 0.00 0.00 54.97 56.31 2jye s GLU 38 Cb -0.22 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2jye s GLU 38 CO 0.62 -2.82 0.00 -0.25 0.02 0.00 0.00 175.26 172.83 2jye n ASP 39 N -4.25 -2.80 -0.70 -0.19 8.00 -1.26 -4.95 116.55 110.39 2jye n ASP 39 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2jye n ASP 39 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2jye n ASP 39 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2jye n HIS 40 N -0.31 -1.67 0.00 1.24 -0.00 -1.26 -4.83 115.22 108.38 2jye n HIS 40 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jye n HIS 40 Cb 0.00 0.24 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 2jye n HIS 40 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 2jye n ILE 41 N -1.40 0.00 -4.14 3.57 0.13 -1.26 -5.06 119.36 111.20 2jye n ILE 41 Ca 0.00 0.00 -0.24 0.00 -1.10 0.00 0.00 62.75 61.41 2jye n ILE 41 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 38.73 2jye n ILE 41 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 2jye s HIS 42 N -0.06 2.66 -0.36 9.51 3.76 -1.26 -5.02 115.29 124.51 2jye s HIS 42 Ca 0.00 -0.43 0.05 0.00 -0.15 0.00 0.00 55.06 54.53 2jye s HIS 42 Cb 0.00 -1.67 0.53 0.00 1.11 0.00 0.00 32.58 32.54 2jye s HIS 42 CO 0.00 0.33 1.62 0.00 -0.85 0.00 0.00 174.74 175.84 2jye n PRO 45 N -3.61 -3.57 -2.33 0.00 -0.04 -1.26 -4.85 135.00 119.33 2jye n PRO 45 Ca -0.06 -1.06 -0.42 0.00 -0.04 0.00 0.00 63.50 61.92 2jye n PRO 45 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2jye n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jye s ALA 46 N -2.08 3.49 0.00 0.55 0.00 -1.26 -3.01 121.76 119.44 2jye s ALA 46 Ca 0.49 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2jye s ALA 46 Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2jye s ALA 46 CO 0.41 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2jye n GLY 47 N 3.39 3.37 3.58 0.00 0.00 -1.26 -4.90 105.19 109.36 2jye n GLY 47 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.57 2.89 -0.03 1.61 0.40 -1.16 0.55 117.98 119.66 2jye s PHE 48 Ca 0.00 0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 56.81 2jye s PHE 48 Cb 0.00 -4.12 -0.04 0.00 0.51 0.00 0.00 43.02 39.38 2jye s PHE 48 CO 0.00 -1.15 0.07 0.99 0.70 0.00 0.00 175.22 175.82 2jye s THR 49 N 3.98 4.67 -0.03 0.64 2.01 -0.91 -4.63 115.64 121.37 2jye s THR 49 Ca 0.41 -0.34 -0.26 0.00 0.31 0.00 0.00 61.69 61.81 2jye s THR 49 Cb -0.09 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2jye s THR 49 CO 0.28 0.42 0.81 0.00 -0.69 0.00 0.00 174.62 175.44 2jye s ASP 51 N 0.83 7.34 0.00 0.00 2.15 0.11 -4.48 116.67 122.61 2jye s ASP 51 Ca 0.43 1.60 -0.03 0.00 0.43 0.00 0.00 52.55 54.97 2jye s ASP 51 Cb -0.19 -2.51 -0.14 0.00 -0.30 0.00 0.00 42.92 39.78 2jye s ASP 51 CO 0.22 0.05 2.36 1.07 -0.17 0.00 0.00 175.17 178.71 2jye n THR 52 N 2.43 1.93 0.00 1.71 5.66 -1.26 -0.61 114.28 124.14 2jye n THR 52 Ca -0.02 -0.87 0.00 0.00 -3.05 0.00 0.00 64.05 60.11 2jye n THR 52 Cb 0.49 -1.72 0.00 0.00 -1.55 0.00 0.00 70.33 67.55 2jye n THR 52 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jye n GLN 53 N 2.39 1.98 -0.91 1.09 10.64 -1.26 -4.75 117.38 126.56 2jye n GLN 53 Ca 0.22 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.38 2jye n GLN 53 Cb 0.57 -0.69 -0.01 0.00 -0.86 0.00 0.00 30.24 29.25 2jye n GLN 53 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2jye n LYS 54 N -0.98 0.09 -3.67 2.61 3.00 -1.05 -4.99 118.16 113.17 2jye n LYS 54 Ca 0.00 -0.31 -0.22 0.00 -0.00 0.00 0.00 58.31 57.78 2jye n LYS 54 Cb 0.15 0.42 0.04 0.00 0.00 0.00 0.00 35.03 35.64 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 -0.10 -0.37 3.53 3.14 0.00 0.23 -4.88 105.19 106.73 2jye n GLY 55 Ca -0.08 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.64 4.18 -0.24 2.61 2.01 -1.05 -4.55 115.64 114.97 2jye s THR 56 Ca 0.05 0.32 -0.24 0.00 0.31 0.00 0.00 61.69 62.12 2jye s THR 56 Cb -0.01 -4.67 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 2jye s THR 56 CO 0.81 -1.35 0.81 0.00 -0.69 0.00 0.00 174.62 174.20 2jye s GLU 58 N 2.75 0.57 -0.27 0.00 2.02 -0.77 -4.80 118.70 118.21 2jye s GLU 58 Ca 0.34 -0.89 -0.33 0.00 0.02 0.00 0.00 54.97 54.12 2jye s GLU 58 Cb -0.15 0.21 -0.10 0.00 0.10 0.00 0.00 34.13 34.19 2jye s GLU 58 CO 0.08 -0.13 2.15 1.04 0.02 0.00 0.00 175.26 178.41 2jye n GLN 59 N 0.64 1.52 0.00 1.61 1.13 -1.26 -2.15 117.38 118.87 2jye n GLN 59 Ca -0.18 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 2jye n GLN 59 Cb 0.59 -2.72 0.00 0.00 0.11 0.00 0.00 30.24 28.22 2jye n GLN 59 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2jye n LYS 60 N 8.09 0.00 -0.14 -1.09 5.02 0.19 -4.80 118.16 125.43 2jye n LYS 60 Ca 0.35 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.51 2jye n LYS 60 Cb 0.30 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.43 2jye n LYS 60 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2jye n LEU 61 N 0.00 0.00 -2.41 -0.35 4.32 -1.26 -4.51 117.00 112.79 2jye n LEU 61 Ca 0.00 -0.35 -0.10 0.00 -0.02 0.00 0.00 56.01 55.54 2jye n LEU 61 Cb 0.00 -0.44 0.05 0.00 -1.62 0.00 0.00 43.42 41.41 2jye n LEU 61 CO 0.00 -2.05 0.06 0.00 -1.22 0.00 0.00 177.39 174.19 2jye n ALA 62 N -3.92 -1.17 -0.04 -1.18 0.00 -1.26 -4.09 120.51 108.84 2jye n ALA 62 Ca -0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 2jye n ALA 62 Cb 0.24 -1.62 -0.14 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.81 1.16 -2.73 0.00 0.00 -1.26 -2.61 120.51 112.25 2jye n ALA 63 Ca -0.17 -0.80 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 2jye n ALA 63 Cb 0.60 -0.52 0.03 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.98 -2.40 -1.09 0.00 0.00 -1.26 -4.44 120.51 108.33 2jye n ALA 64 Ca -0.33 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2jye n ALA 64 Cb 1.04 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2jye n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jye n LEU 65 N 2.51 -1.33 0.00 0.00 4.77 -1.26 -4.81 117.00 116.87 2jye n LEU 65 Ca 0.14 2.01 0.00 0.00 -0.03 0.00 0.00 56.01 58.13 2jye n LEU 65 Cb 0.61 -1.84 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 2jye n LEU 65 CO -0.04 -0.34 0.00 1.21 -1.33 0.00 0.00 177.39 176.89 2jye n GLU 66 N -1.93 1.33 -0.09 3.23 0.00 -1.26 -4.90 120.64 117.02 2jye n GLU 66 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.17 2jye n GLU 66 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.70 2jye n GLU 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2jye n HIS 67 N 0.00 0.00 -0.83 4.31 -0.00 -1.26 -5.07 115.22 112.37 2jye n HIS 67 Ca 0.00 -0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.01 2jye n HIS 67 Cb 0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.84 2jye n HIS 67 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jye n HIS 68 N -0.20 0.00 -4.23 1.57 -0.00 -1.26 -5.09 115.22 106.01 2jye n HIS 68 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.76 2jye n HIS 68 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.47 2jye n HIS 68 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jye n HIS 69 N 0.00 -2.12 0.95 1.57 8.25 -1.26 -4.35 115.22 118.26 2jye n HIS 69 Ca 0.00 0.27 0.10 0.00 -0.26 0.00 0.00 57.72 57.83 2jye n HIS 69 Cb 0.00 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 2jye n HIS 69 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jye n HIS 70 N -2.06 0.00 -4.17 4.41 1.44 -1.26 -4.97 115.22 108.60 2jye n HIS 70 Ca 0.00 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.45 2jye n HIS 70 Cb 0.10 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.15 2jye n HIS 70 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2jye s HIS 71 N -2.49 2.27 -2.00 -1.40 0.00 -1.26 -5.29 115.29 105.12 2jye s HIS 71 Ca 0.15 -0.70 0.07 0.00 -3.00 0.00 0.00 55.06 51.58 2jye s HIS 71 Cb 0.17 -1.90 0.42 0.00 -4.00 0.00 0.00 32.58 27.27 2jye s HIS 71 CO 0.61 0.04 0.88 -2.39 -1.00 0.00 0.00 174.74 172.88