#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk4 n GLY 2 N 0.00 1.99 3.82 1.69 0.00 -1.26 -5.07 105.19 106.36 2kk4 n GLY 2 Ca 0.00 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 2kk4 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kk4 s HIS 3 N -2.40 3.38 0.21 1.61 3.76 -1.26 -5.13 115.29 115.45 2kk4 s HIS 3 Ca 0.00 0.27 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 2kk4 s HIS 3 Cb 0.00 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 2kk4 s HIS 3 CO 0.00 0.59 0.07 -1.64 -0.85 0.00 0.00 174.74 172.91 2kk4 s MET 4 N -1.68 1.23 -0.35 1.40 -1.94 -1.26 -5.09 119.30 111.62 2kk4 s MET 4 Ca 0.23 -1.63 0.08 0.00 -1.71 0.00 0.00 55.69 52.66 2kk4 s MET 4 Cb -0.12 -0.11 0.45 0.00 2.01 0.00 0.00 34.83 37.06 2kk4 s MET 4 CO 0.14 -0.26 1.14 -0.25 -0.01 0.00 0.00 175.02 175.77 2kk4 n ASP 5 N -0.32 4.35 -0.09 3.03 8.00 -1.26 -4.87 116.55 125.39 2kk4 n ASP 5 Ca -0.02 -3.53 -0.16 0.00 0.71 0.00 0.00 54.79 51.78 2kk4 n ASP 5 Cb 0.65 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 2kk4 n ASP 5 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kk4 h LEU 6 N 2.43 0.00 -9.03 0.64 3.38 -2.00 -3.46 115.31 107.28 2kk4 h LEU 6 Ca 0.27 -0.58 -0.57 0.00 0.09 0.00 0.00 57.88 57.10 2kk4 h LEU 6 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2kk4 h LEU 6 CO 0.73 1.19 1.12 -0.51 0.09 0.00 0.00 178.44 181.07 2kk4 s ILE 7 N -2.25 3.71 -0.86 1.22 1.10 -1.26 -4.95 121.20 117.91 2kk4 s ILE 7 Ca -0.22 0.80 -0.21 0.00 -0.51 0.00 0.00 60.65 60.50 2kk4 s ILE 7 Cb 0.02 -3.73 0.09 0.00 0.15 0.00 0.00 42.46 39.00 2kk4 s ILE 7 CO 0.54 -0.31 1.14 0.00 -2.11 0.00 0.00 174.94 174.21 2kk4 s MET 9 N 3.64 4.32 -0.21 0.00 1.00 -1.25 -4.70 119.30 122.09 2kk4 s MET 9 Ca 0.32 1.91 -0.29 0.00 0.00 0.00 0.00 55.69 57.63 2kk4 s MET 9 Cb -0.08 -3.49 -0.04 0.00 0.00 0.00 0.00 34.83 31.22 2kk4 s MET 9 CO -0.03 -0.49 1.80 0.71 0.00 0.00 0.00 175.02 177.01 2kk4 s TYR 10 N 2.01 1.77 -0.16 -0.03 2.02 -0.60 -1.06 117.35 121.29 2kk4 s TYR 10 Ca 0.62 0.43 -0.26 0.00 -0.37 0.00 0.00 57.07 57.48 2kk4 s TYR 10 Cb -0.31 -4.03 -0.01 0.00 -0.40 0.00 0.00 41.96 37.21 2kk4 s TYR 10 CO 0.27 -3.49 0.89 0.08 -1.57 0.00 0.00 175.55 171.72 2kk4 s VAL 11 N 5.96 4.84 -0.23 0.71 1.01 -0.05 -1.51 120.40 131.13 2kk4 s VAL 11 Ca 0.80 1.75 -0.06 0.00 0.00 0.00 0.00 61.98 64.48 2kk4 s VAL 11 Cb -0.28 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2kk4 s VAL 11 CO 0.33 0.00 0.02 -0.36 0.00 0.00 0.00 175.10 175.09 2kk4 s PHE 12 N 2.20 3.03 -1.12 5.22 0.40 -0.21 -1.44 117.98 126.07 2kk4 s PHE 12 Ca 0.41 -0.61 -0.22 0.00 -0.60 0.00 0.00 56.93 55.91 2kk4 s PHE 12 Cb -0.17 -2.17 0.03 0.00 0.51 0.00 0.00 43.02 41.22 2kk4 s PHE 12 CO 0.13 -0.41 1.68 0.21 0.70 0.00 0.00 175.22 177.53 2kk4 s LYS 13 N 1.47 3.44 2.84 0.44 2.20 0.51 -0.94 119.74 129.70 2kk4 s LYS 13 Ca 0.05 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 2kk4 s LYS 13 Cb -0.15 -5.36 0.00 0.00 -1.51 0.00 0.00 37.83 30.81 2kk4 s LYS 13 CO 0.01 -2.62 0.00 0.41 -0.36 0.00 0.00 175.35 172.79 2kk4 n GLY 14 N 6.25 1.66 0.02 5.54 0.00 0.57 -2.46 105.19 116.78 2kk4 n GLY 14 Ca 0.41 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.58 2kk4 n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kk4 n GLU 15 N 0.00 1.08 -3.41 1.61 0.28 -1.26 -4.80 120.64 114.15 2kk4 n GLU 15 Ca 0.00 -0.06 -0.35 0.00 -0.16 0.00 0.00 57.16 56.58 2kk4 n GLU 15 Cb 0.00 -1.24 -0.06 0.00 1.43 0.00 0.00 31.44 31.57 2kk4 n GLU 15 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2kk4 s GLU 16 N -2.53 3.94 -0.33 3.44 -1.05 -1.03 -5.03 118.70 116.11 2kk4 s GLU 16 Ca -0.04 0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.93 2kk4 s GLU 16 Cb 0.05 -2.98 -0.01 0.00 -0.44 0.00 0.00 34.13 30.75 2kk4 s GLU 16 CO 0.40 0.52 1.59 0.45 0.95 0.00 0.00 175.26 179.17 2kk4 s SER 17 N -1.66 6.21 -0.17 0.83 0.15 -1.26 -0.36 113.70 117.44 2kk4 s SER 17 Ca 0.35 1.20 -0.14 0.00 0.70 0.00 0.00 55.95 58.06 2kk4 s SER 17 Cb -0.15 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 2kk4 s SER 17 CO 0.19 -1.47 -0.09 0.33 1.20 0.00 0.00 173.24 173.40 2kk4 n PHE 18 N 9.17 0.84 -0.07 3.44 7.35 -0.52 -4.86 117.46 132.81 2kk4 n PHE 18 Ca 0.19 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 2kk4 n PHE 18 Cb 0.47 -0.86 0.00 0.00 0.35 0.00 0.00 39.48 39.44 2kk4 n PHE 18 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2kk4 n GLY 19 N 1.53 0.98 2.87 7.13 0.00 -0.68 -4.89 105.19 112.14 2kk4 n GLY 19 Ca -0.17 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2kk4 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kk4 s GLU 20 N 4.89 0.01 -0.50 1.61 -1.05 -1.22 -0.87 118.70 121.57 2kk4 s GLU 20 Ca 0.00 0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 54.56 2kk4 s GLU 20 Cb 0.00 -0.01 0.03 0.00 -0.44 0.00 0.00 34.13 33.70 2kk4 s GLU 20 CO 0.00 -0.01 1.20 0.45 0.95 0.00 0.00 175.26 177.85 2kk4 s SER 21 N 0.09 6.52 -0.14 0.83 0.15 -0.22 -1.58 113.70 119.35 2kk4 s SER 21 Ca -0.01 0.42 -0.03 0.00 0.70 0.00 0.00 55.95 57.03 2kk4 s SER 21 Cb -0.01 -2.55 -0.24 0.00 -1.71 0.00 0.00 66.02 61.51 2kk4 s SER 21 CO -0.00 -1.36 0.28 0.00 1.20 0.00 0.00 173.24 173.36 2kk4 n ILE 22 N 6.85 1.71 -3.93 6.45 0.00 -0.89 -3.94 119.36 125.61 2kk4 n ILE 22 Ca 0.12 -0.66 -0.09 0.00 0.00 0.00 0.00 62.75 62.13 2kk4 n ILE 22 Cb 0.49 -1.61 -0.04 0.00 0.00 0.00 0.00 39.64 38.48 2kk4 n ILE 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kk4 s ASP 23 N -6.86 -0.15 -0.15 9.51 2.15 -1.05 -5.05 116.67 115.07 2kk4 s ASP 23 Ca -0.23 -0.78 -0.13 0.00 0.43 0.00 0.00 52.55 51.83 2kk4 s ASP 23 Cb 0.07 0.62 0.04 0.00 -0.30 0.00 0.00 42.92 43.35 2kk4 s ASP 23 CO 0.74 -1.17 0.40 0.54 -0.17 0.00 0.00 175.17 175.51 2kk4 s VAL 24 N -3.97 -0.01 -0.10 1.11 0.11 -1.26 -0.62 120.40 115.66 2kk4 s VAL 24 Ca 0.18 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.18 2kk4 s VAL 24 Cb -0.02 -0.57 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 2kk4 s VAL 24 CO 0.07 0.01 0.24 -0.72 -3.33 0.00 0.00 175.10 171.36 2kk4 s TYR 25 N 0.46 -0.29 0.00 1.54 1.13 -0.60 -4.96 117.35 114.63 2kk4 s TYR 25 Ca -0.02 0.70 0.00 0.00 -1.41 0.00 0.00 57.07 56.34 2kk4 s TYR 25 Cb -0.04 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.89 2kk4 s TYR 25 CO -0.02 -0.17 0.00 0.41 -2.51 0.00 0.00 175.55 173.25 2kk4 n GLY 26 N 3.54 0.98 0.06 5.49 0.00 -1.26 -1.49 105.19 112.51 2kk4 n GLY 26 Ca -0.19 0.49 0.03 0.00 0.00 0.00 0.00 46.02 46.35 2kk4 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kk4 n ASP 27 N 10.71 2.17 -4.17 1.61 8.00 -1.26 -3.97 116.55 129.64 2kk4 n ASP 27 Ca 0.00 -2.33 -0.18 0.00 0.71 0.00 0.00 54.79 52.98 2kk4 n ASP 27 Cb 0.00 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 40.84 2kk4 n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2kk4 s TYR 28 N -1.58 1.21 -0.26 1.24 2.02 -0.55 -1.53 117.35 117.90 2kk4 s TYR 28 Ca 0.11 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2kk4 s TYR 28 Cb 0.09 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 41.01 2kk4 s TYR 28 CO 0.02 0.06 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.81 2kk4 s LEU 29 N -1.76 3.36 -0.46 -1.29 2.96 0.56 -1.55 118.68 120.51 2kk4 s LEU 29 Ca -0.02 -1.14 -0.29 0.00 -0.22 0.00 0.00 54.13 52.46 2kk4 s LEU 29 Cb -0.10 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.99 2kk4 s LEU 29 CO 0.02 -0.17 1.34 -0.63 -1.32 0.00 0.00 176.35 175.59 2kk4 s ILE 30 N 1.22 3.96 -0.25 6.68 -1.09 0.21 -1.04 121.20 130.89 2kk4 s ILE 30 Ca -0.04 0.95 -0.05 0.00 -2.23 0.00 0.00 60.65 59.28 2kk4 s ILE 30 Cb -0.18 -4.35 -0.00 0.00 -1.58 0.00 0.00 42.46 36.34 2kk4 s ILE 30 CO -0.05 -0.90 0.01 -0.69 -1.23 0.00 0.00 174.94 172.09 2kk4 s VAL 31 N 5.30 3.67 -0.28 2.92 1.01 -0.64 -2.10 120.40 130.27 2kk4 s VAL 31 Ca 0.56 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 2kk4 s VAL 31 Cb -0.11 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2kk4 s VAL 31 CO 0.31 0.28 0.68 -0.75 0.00 0.00 0.00 175.10 175.62 2kk4 s LYS 32 N 1.49 4.03 -0.10 2.72 2.36 -0.61 -0.97 119.74 128.66 2kk4 s LYS 32 Ca 0.04 0.52 0.03 0.00 -2.55 0.00 0.00 55.97 54.02 2kk4 s LYS 32 Cb -0.16 -3.69 0.01 0.00 -1.05 0.00 0.00 37.83 32.94 2kk4 s LYS 32 CO -0.00 -0.52 -0.19 0.14 1.55 0.00 0.00 175.35 176.32 2kk4 s VAL 33 N 2.66 1.73 0.00 4.02 -7.23 -0.57 -3.41 120.40 117.61 2kk4 s VAL 33 Ca 0.28 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2kk4 s VAL 33 Cb -0.15 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.26 2kk4 s VAL 33 CO 0.10 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 2kk4 n GLY 34 N 3.79 0.38 0.00 2.32 0.00 -1.26 -1.69 105.19 108.73 2kk4 n GLY 34 Ca -0.20 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2kk4 n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kk4 n THR 35 N 0.00 0.00 -4.35 2.61 -1.04 -1.26 -5.08 114.28 105.16 2kk4 n THR 35 Ca 0.00 -0.37 -0.27 0.00 -2.04 0.00 0.00 64.05 61.37 2kk4 n THR 35 Cb 0.00 1.12 -0.10 0.00 -1.82 0.00 0.00 70.33 69.53 2kk4 n THR 35 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2kk4 s GLU 36 N -0.38 1.82 -0.32 -2.82 -1.05 -0.68 -5.12 118.70 110.15 2kk4 s GLU 36 Ca 0.00 -1.38 -0.04 0.00 -0.15 0.00 0.00 54.97 53.40 2kk4 s GLU 36 Cb 0.00 -2.02 0.05 0.00 -0.44 0.00 0.00 34.13 31.71 2kk4 s GLU 36 CO 0.00 0.42 0.06 -0.06 0.95 0.00 0.00 175.26 176.63 2kk4 s PHE 37 N -1.67 3.27 -0.48 4.83 0.40 -1.26 -1.51 117.98 121.55 2kk4 s PHE 37 Ca 0.23 -1.66 -0.18 0.00 -0.60 0.00 0.00 56.93 54.72 2kk4 s PHE 37 Cb -0.08 -2.23 0.05 0.00 0.51 0.00 0.00 43.02 41.27 2kk4 s PHE 37 CO 0.13 -0.77 0.55 -0.51 0.70 0.00 0.00 175.22 175.31 2kk4 s LEU 38 N 1.33 5.02 -0.87 -0.37 2.01 -0.14 -4.21 118.68 121.45 2kk4 s LEU 38 Ca -0.03 -0.89 -0.25 0.00 0.01 0.00 0.00 54.13 52.97 2kk4 s LEU 38 Cb -0.20 -2.41 0.04 0.00 0.01 0.00 0.00 46.19 43.63 2kk4 s LEU 38 CO 0.01 -0.78 1.37 0.00 1.01 0.00 0.00 176.35 177.96 2kk4 s ALA 39 N 2.37 2.72 -0.13 4.21 0.00 -0.94 -1.63 121.76 128.36 2kk4 s ALA 39 Ca 0.13 -1.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.09 2kk4 s ALA 39 Cb -0.19 -4.39 -0.03 0.00 0.00 0.00 0.00 23.12 18.51 2kk4 s ALA 39 CO 0.12 -3.46 0.70 0.14 0.00 0.00 0.00 175.76 173.26 2kk4 s VAL 40 N 5.45 5.00 0.68 0.00 -7.23 -0.21 -4.67 120.40 119.42 2kk4 s VAL 40 Ca 0.41 1.39 -0.17 0.00 -1.81 0.00 0.00 61.98 61.80 2kk4 s VAL 40 Cb -0.04 -4.03 0.01 0.00 0.56 0.00 0.00 36.38 32.88 2kk4 s VAL 40 CO 0.03 0.16 1.24 -2.16 -0.31 0.00 0.00 175.10 174.06 2kk4 s PRO 41 N 1.46 2.41 0.55 4.82 0.04 -1.26 -0.32 135.00 142.71 2kk4 s PRO 41 Ca 0.34 1.88 0.32 0.00 0.04 0.00 0.00 61.00 63.58 2kk4 s PRO 41 Cb -0.17 -1.85 1.62 0.00 0.04 0.00 0.00 34.50 34.14 2kk4 s PRO 41 CO 0.14 -1.65 2.11 0.87 0.04 0.00 0.00 177.00 178.51 2kk4 h LYS 42 N 0.19 0.00 0.00 4.56 1.79 -1.62 -0.81 116.57 120.68 2kk4 h LYS 42 Ca -0.49 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.91 2kk4 h LYS 42 Cb 1.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 2kk4 h LYS 42 CO 0.52 0.08 -0.30 1.57 -1.08 0.00 0.00 179.45 180.23 2kk4 h LYS 43 N 0.00 0.00 -0.03 3.15 2.10 -1.91 -2.86 116.57 117.01 2kk4 h LYS 43 Ca -0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2kk4 h LYS 43 Cb 0.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2kk4 h LYS 43 CO 0.01 0.30 -0.62 1.03 -2.00 0.00 0.00 179.45 178.18 2kk4 h SER 44 N 0.00 0.14 -2.28 7.07 0.87 -1.48 -3.43 113.55 114.43 2kk4 h SER 44 Ca -0.00 -0.08 -0.56 0.00 -1.23 0.00 0.00 61.79 59.91 2kk4 h SER 44 Cb 0.78 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2kk4 h SER 44 CO 0.04 0.72 1.33 -0.63 -0.53 0.00 0.00 176.83 177.76 2kk4 s ILE 45 N -3.68 3.14 -0.17 2.23 1.09 -1.08 0.12 121.20 122.85 2kk4 s ILE 45 Ca -0.03 0.16 -0.15 0.00 -1.10 0.00 0.00 60.65 59.54 2kk4 s ILE 45 Cb 0.12 -3.15 -0.10 0.00 -1.06 0.00 0.00 42.46 38.28 2kk4 s ILE 45 CO 0.78 -0.06 -0.03 0.29 -0.10 0.00 0.00 174.94 175.82 2kk4 n LYS 46 N 8.10 0.50 -4.06 2.79 4.76 0.48 -4.93 118.16 125.80 2kk4 n LYS 46 Ca 0.24 0.53 -0.21 0.00 -2.87 0.00 0.00 58.31 56.00 2kk4 n LYS 46 Cb 0.44 -1.70 -0.17 0.00 -1.84 0.00 0.00 35.03 31.76 2kk4 n LYS 46 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2kk4 s SER 47 N -6.25 1.16 -0.43 4.39 0.01 -0.80 -5.04 113.70 106.75 2kk4 s SER 47 Ca -0.22 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 56.74 2kk4 s SER 47 Cb 0.04 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.82 2kk4 s SER 47 CO 0.38 -0.09 0.47 0.54 0.41 0.00 0.00 173.24 174.95 2kk4 s VAL 48 N 1.20 5.05 0.39 3.43 0.11 -1.26 -1.04 120.40 128.28 2kk4 s VAL 48 Ca -0.07 -0.30 0.08 0.00 -2.93 0.00 0.00 61.98 58.76 2kk4 s VAL 48 Cb -0.14 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 2kk4 s VAL 48 CO -0.02 -0.46 0.22 -1.61 -3.33 0.00 0.00 175.10 169.91 2kk4 s GLU 49 N 2.24 2.35 -0.60 1.54 0.41 0.02 -5.04 118.70 119.62 2kk4 s GLU 49 Ca 0.13 -1.67 -0.26 0.00 -0.41 0.00 0.00 54.97 52.76 2kk4 s GLU 49 Cb -0.17 -2.14 -0.05 0.00 -1.78 0.00 0.00 34.13 29.99 2kk4 s GLU 49 CO 0.14 -0.07 2.12 0.16 -0.49 0.00 0.00 175.26 177.13 2kk4 s ASP 50 N -3.94 4.83 -0.06 -0.19 -4.77 -1.26 -2.50 116.67 108.78 2kk4 s ASP 50 Ca 0.42 0.53 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 2kk4 s ASP 50 Cb 0.00 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 2kk4 s ASP 50 CO 0.24 -2.71 0.00 0.61 0.70 0.00 0.00 175.17 174.01 2kk4 n GLY 51 N 5.99 0.47 2.80 2.12 0.00 -1.26 -5.01 105.19 110.29 2kk4 n GLY 51 Ca 0.30 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2kk4 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kk4 s ARG 52 N -0.66 0.32 -0.41 1.61 0.52 -1.04 -1.56 118.95 117.73 2kk4 s ARG 52 Ca 0.00 0.11 -0.06 0.00 -0.52 0.00 0.00 55.73 55.26 2kk4 s ARG 52 Cb 0.00 -0.57 0.09 0.00 0.52 0.00 0.00 34.95 35.00 2kk4 s ARG 52 CO 0.00 -0.18 0.21 0.42 0.02 0.00 0.00 175.30 175.77 2kk4 s ILE 53 N 1.28 3.68 -0.39 1.52 -1.09 -0.57 -0.80 121.20 124.83 2kk4 s ILE 53 Ca -0.06 -1.71 -0.28 0.00 -2.23 0.00 0.00 60.65 56.36 2kk4 s ILE 53 Cb -0.13 -3.36 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 2kk4 s ILE 53 CO -0.02 -0.56 1.08 -0.69 -1.23 0.00 0.00 174.94 173.51 2kk4 s VAL 54 N 1.28 4.40 0.55 2.92 1.01 -0.21 -1.05 120.40 129.31 2kk4 s VAL 54 Ca 0.04 1.44 0.07 0.00 0.00 0.00 0.00 61.98 63.53 2kk4 s VAL 54 Cb -0.23 -4.48 0.05 0.00 0.00 0.00 0.00 36.38 31.73 2kk4 s VAL 54 CO -0.01 -0.71 0.53 0.27 0.00 0.00 0.00 175.10 175.18 2kk4 s ILE 55 N 3.94 1.81 0.00 2.22 -4.36 -0.12 -0.39 121.20 124.31 2kk4 s ILE 55 Ca 0.45 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.51 2kk4 s ILE 55 Cb -0.10 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.47 2kk4 s ILE 55 CO 0.22 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.01 2kk4 n GLY 56 N -1.92 0.49 3.33 6.27 0.00 0.12 -0.31 105.19 113.17 2kk4 n GLY 56 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2kk4 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kk4 s GLU 57 N 2.97 1.36 0.19 1.61 2.02 -1.26 -3.87 118.70 121.72 2kk4 s GLU 57 Ca 0.00 -1.70 -0.24 0.00 0.02 0.00 0.00 54.97 53.06 2kk4 s GLU 57 Cb 0.00 -0.56 0.05 0.00 0.10 0.00 0.00 34.13 33.72 2kk4 s GLU 57 CO 0.00 -0.14 0.83 -0.59 0.02 0.00 0.00 175.26 175.39 2kk4 s PHE 58 N -3.48 -0.20 -0.73 1.61 -0.71 -1.26 -4.88 117.98 108.33 2kk4 s PHE 58 Ca 0.30 -0.15 -0.26 0.00 -1.04 0.00 0.00 56.93 55.78 2kk4 s PHE 58 Cb 0.06 0.65 0.04 0.00 -1.21 0.00 0.00 43.02 42.57 2kk4 s PHE 58 CO 0.10 -0.97 1.22 -0.51 -1.34 0.00 0.00 175.22 173.71 2kk4 s ASP 59 N -2.89 6.18 0.45 1.98 1.01 -1.26 -4.89 116.67 117.25 2kk4 s ASP 59 Ca 0.10 -0.61 0.13 0.00 0.71 0.00 0.00 52.55 52.89 2kk4 s ASP 59 Cb -0.03 -2.53 1.00 0.00 1.01 0.00 0.00 42.92 42.37 2kk4 s ASP 59 CO 0.02 -1.74 2.01 -0.33 0.21 0.00 0.00 175.17 175.34 2kk4 h GLU 60 N 9.92 0.07 0.16 8.23 5.08 -1.98 -0.32 114.58 135.73 2kk4 h GLU 60 Ca -0.26 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2kk4 h GLU 60 Cb 1.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2kk4 h GLU 60 CO 1.26 0.19 -0.08 0.93 -1.00 0.00 0.00 179.01 180.32 2kk4 h GLU 61 N 0.07 -0.21 -0.22 2.33 4.39 -2.01 -2.63 114.58 116.29 2kk4 h GLU 61 Ca 0.01 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 2kk4 h GLU 61 Cb 0.26 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2kk4 h GLU 61 CO 0.02 -0.02 -0.38 0.93 -1.16 0.00 0.00 179.01 178.39 2kk4 h GLU 62 N -0.36 0.50 -0.17 2.33 5.08 -1.88 -2.95 114.58 117.13 2kk4 h GLU 62 Ca -0.02 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 57.96 2kk4 h GLU 62 Cb 0.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kk4 h GLU 62 CO 0.04 0.81 -0.48 0.00 -1.00 0.00 0.00 179.01 178.37 2kk4 h ALA 63 N 1.17 0.86 0.03 3.43 0.00 -1.05 -1.27 119.26 122.43 2kk4 h ALA 63 Ca 0.04 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 2kk4 h ALA 63 Cb 0.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kk4 h ALA 63 CO 0.07 0.66 -0.99 0.07 0.00 0.00 0.00 179.25 179.06 2kk4 h ARG 64 N 0.35 0.28 0.05 0.00 0.11 -1.47 0.59 114.38 114.31 2kk4 h ARG 64 Ca 0.02 -0.35 -0.27 0.00 0.10 0.00 0.00 59.98 59.49 2kk4 h ARG 64 Cb 0.98 0.11 0.02 0.00 1.11 0.00 0.00 29.97 32.18 2kk4 h ARG 64 CO 0.09 1.08 -1.10 1.05 0.10 0.00 0.00 179.97 181.18 2kk4 h GLU 65 N 0.14 0.53 0.00 0.08 4.11 -1.45 -0.38 114.58 117.61 2kk4 h GLU 65 Ca -0.08 -0.65 0.00 0.00 0.07 0.00 0.00 59.36 58.71 2kk4 h GLU 65 Cb 1.66 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2kk4 h GLU 65 CO 0.16 1.26 -0.23 1.37 0.07 0.00 0.00 179.01 181.64 2kk4 h LEU 66 N 0.27 0.00 -0.09 3.06 8.10 -1.36 -2.60 115.31 122.69 2kk4 h LEU 66 Ca -0.13 -0.07 -0.17 0.00 0.11 0.00 0.00 57.88 57.62 2kk4 h LEU 66 Cb 1.76 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.99 2kk4 h LEU 66 CO 0.20 0.03 -0.62 1.23 -4.11 0.00 0.00 178.44 175.18 2kk4 h GLY 67 N 4.45 0.63 2.00 0.17 0.00 -0.81 -2.03 103.07 107.48 2kk4 h GLY 67 Ca 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 47.33 46.31 2kk4 h GLY 67 CO 0.00 0.83 -0.39 0.07 0.00 0.00 0.00 176.54 177.06 2kk4 h ARG 68 N 0.18 0.00 -0.28 4.80 0.11 -1.12 -1.78 114.38 116.29 2kk4 h ARG 68 Ca -0.05 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 2kk4 h ARG 68 Cb 1.27 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.34 2kk4 h ARG 68 CO 0.13 0.39 -0.01 -0.22 0.10 0.00 0.00 179.97 180.35 2kk4 h LYS 69 N 0.00 0.42 -0.51 0.08 3.64 -1.43 -2.00 116.57 116.77 2kk4 h LYS 69 Ca -0.00 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 2kk4 h LYS 69 Cb 0.85 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2kk4 h LYS 69 CO 0.05 0.46 0.06 2.35 -2.27 0.00 0.00 179.45 180.11 2kk4 h TRP 70 N 0.41 0.86 0.00 1.91 7.01 -0.56 0.17 115.95 125.75 2kk4 h TRP 70 Ca 0.09 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 2kk4 h TRP 70 Cb 0.29 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2kk4 h TRP 70 CO 0.01 0.76 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.27 2kk4 h LEU 71 N 0.78 0.00 -0.15 0.65 -0.00 -1.07 0.23 115.31 115.75 2kk4 h LEU 71 Ca 0.16 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.82 2kk4 h LEU 71 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2kk4 h LEU 71 CO 0.01 0.07 -0.97 -0.08 -0.00 0.00 0.00 178.44 177.47 2kk4 h GLU 72 N 0.00 0.26 -0.16 1.13 4.81 -0.78 -3.31 114.58 116.52 2kk4 h GLU 72 Ca -0.00 -0.32 -0.11 0.00 -0.13 0.00 0.00 59.36 58.80 2kk4 h GLU 72 Cb 0.13 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2kk4 h GLU 72 CO 0.01 1.05 -0.35 0.93 -0.73 0.00 0.00 179.01 179.92 2kk4 h GLU 73 N 0.13 0.52 0.00 1.92 5.08 0.53 -2.79 114.58 119.97 2kk4 h GLU 73 Ca -0.07 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2kk4 h GLU 73 Cb 1.63 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.93 2kk4 h GLU 73 CO 0.16 0.95 0.00 0.36 -1.00 0.00 0.00 179.01 179.48 2kk4 n LYS 74 N -4.33 0.16 -1.22 2.33 -0.00 -0.05 -0.97 118.16 114.08 2kk4 n LYS 74 Ca -0.06 0.48 -0.24 0.00 -0.00 0.00 0.00 58.31 58.48 2kk4 n LYS 74 Cb 0.50 -1.86 0.17 0.00 -0.00 0.00 0.00 35.03 33.84 2kk4 n LYS 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2kk4 n SER 75 N -2.16 4.22 -4.72 -5.58 2.88 -1.06 -5.04 113.62 102.15 2kk4 n SER 75 Ca 0.01 -3.65 -0.31 0.00 -1.33 0.00 0.00 58.87 53.59 2kk4 n SER 75 Cb 0.16 -0.84 0.13 0.00 -0.75 0.00 0.00 64.21 62.90 2kk4 n SER 75 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2kk4 s LYS 76 N -3.37 1.68 1.08 -1.46 -2.85 -0.14 -5.01 119.74 109.66 2kk4 s LYS 76 Ca 0.57 1.35 -0.18 0.00 -1.00 0.00 0.00 55.97 56.71 2kk4 s LYS 76 Cb 0.48 -1.82 0.28 0.00 -2.06 0.00 0.00 37.83 34.71 2kk4 s LYS 76 CO 0.09 -2.10 0.68 -0.35 0.10 0.00 0.00 175.35 173.76 2kk4 n PRO 77 N -3.85 -3.93 0.00 1.78 -0.04 -1.26 -4.87 135.00 122.83 2kk4 n PRO 77 Ca 0.10 -1.13 0.01 0.00 -0.04 0.00 0.00 63.50 62.44 2kk4 n PRO 77 Cb 0.53 -1.39 0.06 0.00 -0.04 0.00 0.00 33.50 32.66 2kk4 n PRO 77 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2kk4 n VAL 78 N -4.99 0.00 -1.74 0.52 0.24 -1.26 -4.78 118.33 106.32 2kk4 n VAL 78 Ca 0.11 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.99 2kk4 n VAL 78 Cb 0.45 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 2kk4 n VAL 78 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2kk4 s THR 79 N -2.00 2.12 0.49 3.34 -1.32 -1.26 -5.03 115.64 111.98 2kk4 s THR 79 Ca 0.03 0.05 -0.11 0.00 -1.21 0.00 0.00 61.69 60.45 2kk4 s THR 79 Cb 0.01 -3.03 -0.06 0.00 -1.51 0.00 0.00 72.50 67.92 2kk4 s THR 79 CO 0.02 0.00 0.88 -1.48 -2.21 0.00 0.00 174.62 171.83 2kk4 s LEU 80 N 1.35 3.60 0.00 9.08 0.05 -1.26 -5.00 118.68 126.50 2kk4 s LEU 80 Ca 0.75 1.24 0.19 0.00 0.05 0.00 0.00 54.13 56.36 2kk4 s LEU 80 Cb -0.49 -4.19 0.34 0.00 -2.05 0.00 0.00 46.19 39.80 2kk4 s LEU 80 CO 0.32 -0.59 1.27 -0.62 -0.55 0.00 0.00 176.35 176.19 2kk4 n GLU 81 N -1.91 2.21 -0.20 1.48 1.02 -1.26 -4.34 120.64 117.64 2kk4 n GLU 81 Ca 0.04 -2.04 0.12 0.00 -0.02 0.00 0.00 57.16 55.26 2kk4 n GLU 81 Cb 0.54 -1.41 0.43 0.00 -0.02 0.00 0.00 31.44 30.98 2kk4 n GLU 81 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2kk4 h GLU 82 N 3.61 0.56 0.05 3.49 4.57 -1.98 -2.94 114.58 121.93 2kk4 h GLU 82 Ca 0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2kk4 h GLU 82 Cb 0.85 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2kk4 h GLU 82 CO 0.00 0.37 -0.02 1.25 -1.18 0.00 0.00 179.01 179.43 2kk4 h LEU 83 N 0.58 -0.06-10.61 1.64 7.12 -2.02 -3.46 115.31 108.49 2kk4 h LEU 83 Ca 0.38 -0.48 -0.46 0.00 0.13 0.00 0.00 57.88 57.45 2kk4 h LEU 83 Cb 0.68 0.01 0.09 0.00 -0.53 0.00 0.00 40.66 40.92 2kk4 h LEU 83 CO -0.15 0.47 0.29 -1.59 -0.13 0.00 0.00 178.44 177.33 2kk4 s LYS 84 N -3.99 1.97 0.45 1.25 -2.85 -1.11 -5.09 119.74 110.37 2kk4 s LYS 84 Ca -0.15 -0.22 -0.06 0.00 -1.00 0.00 0.00 55.97 54.54 2kk4 s LYS 84 Cb 0.01 -2.09 -0.04 0.00 -2.06 0.00 0.00 37.83 33.65 2kk4 s LYS 84 CO 0.63 -1.44 0.75 -1.12 0.10 0.00 0.00 175.35 174.27 2kk4 s SER 85 N -4.58 6.32 0.18 0.03 0.01 -1.26 -4.94 113.70 109.46 2kk4 s SER 85 Ca 0.62 0.91 0.05 0.00 1.31 0.00 0.00 55.95 58.85 2kk4 s SER 85 Cb -0.10 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2kk4 s SER 85 CO 0.46 -0.50 0.17 -0.31 0.41 0.00 0.00 173.24 173.47 2kk4 s TYR 86 N -2.61 3.19 0.49 2.43 1.51 -1.26 -5.01 117.35 116.09 2kk4 s TYR 86 Ca 0.47 -0.01 -0.23 0.00 -1.01 0.00 0.00 57.07 56.29 2kk4 s TYR 86 Cb -0.10 -1.52 -0.06 0.00 -0.11 0.00 0.00 41.96 40.17 2kk4 s TYR 86 CO 0.41 0.52 1.31 0.20 -1.11 0.00 0.00 175.55 176.87 2kk4 s GLY 87 N -3.24 2.87 0.21 0.71 0.00 -1.26 -4.92 107.32 101.68 2kk4 s GLY 87 Ca 0.32 1.23 -0.30 0.00 0.00 0.00 0.00 44.72 45.96 2kk4 s GLY 87 CO 0.24 1.75 1.40 -0.11 0.00 0.00 0.00 173.10 176.38 2kk4 s PHE 88 N -1.35 3.13 0.00 1.90 -0.71 -1.25 -4.81 117.98 114.88 2kk4 s PHE 88 Ca 0.66 1.05 0.00 0.00 -1.04 0.00 0.00 56.93 57.60 2kk4 s PHE 88 Cb -0.37 -3.74 0.00 0.00 -1.21 0.00 0.00 43.02 37.70 2kk4 s PHE 88 CO 0.45 -2.43 0.00 0.41 -1.34 0.00 0.00 175.22 172.31 2kk4 n GLY 89 N 2.51 1.06 3.47 1.99 0.00 -1.26 -4.98 105.19 107.97 2kk4 n GLY 89 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 2kk4 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kk4 s GLU 90 N 2.50 3.94 -0.81 1.61 0.41 -1.26 -4.97 118.70 120.13 2kk4 s GLU 90 Ca 0.00 -2.31 -0.25 0.00 -0.41 0.00 0.00 54.97 51.99 2kk4 s GLU 90 Cb 0.00 -5.05 0.01 0.00 -1.78 0.00 0.00 34.13 27.32 2kk4 s GLU 90 CO 0.00 -1.79 1.54 -2.00 -0.49 0.00 0.00 175.26 172.52 2kk4 s GLU 91 N 2.03 3.09 0.09 1.61 2.12 -1.26 -4.89 118.70 121.49 2kk4 s GLU 91 Ca 0.40 -0.31 -0.10 0.00 0.36 0.00 0.00 54.97 55.32 2kk4 s GLU 91 Cb -0.03 -4.67 0.04 0.00 0.26 0.00 0.00 34.13 29.73 2kk4 s GLU 91 CO -0.02 -2.46 0.50 0.41 -0.54 0.00 0.00 175.26 173.14 2kk4 n GLY 92 N 6.07 0.96 3.44 -1.50 0.00 -1.26 -5.07 105.19 107.83 2kk4 n GLY 92 Ca 0.20 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2kk4 n GLY 92 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kk4 n GLU 93 N -0.35 2.73 -2.46 1.61 2.13 -1.26 -4.96 120.64 118.09 2kk4 n GLU 93 Ca -0.01 -2.94 -0.41 0.00 0.66 0.00 0.00 57.16 54.45 2kk4 n GLU 93 Cb 0.28 -3.49 -0.04 0.00 0.27 0.00 0.00 31.44 28.46 2kk4 n GLU 93 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kk4 s GLY 94 N 4.59 2.72 0.00 8.31 0.00 -1.26 -5.28 107.32 116.40 2kk4 s GLY 94 Ca 0.56 0.86 0.27 0.00 0.00 0.00 0.00 44.72 46.41 2kk4 s GLY 94 CO 0.07 1.78 1.62 1.44 0.00 0.00 0.00 173.10 178.01