#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiw n LYS 3 N 0.00 0.44 0.00 0.00 2.85 -1.26 -5.11 118.16 115.07 3kiw n LYS 3 Ca 0.00 -1.87 0.00 0.00 -1.05 0.00 0.00 58.31 55.39 3kiw n LYS 3 Cb 0.00 1.77 0.00 0.00 -0.65 0.00 0.00 35.03 36.15 3kiw n LYS 3 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 3kiw n HIS 4 N -0.38 0.00 -1.95 5.58 -0.00 -1.26 -4.68 115.22 112.53 3kiw n HIS 4 Ca 0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.33 3kiw n HIS 4 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.37 3kiw n HIS 4 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3kiw s PRO 5 N -0.50 4.03 -0.12 1.57 0.02 -1.26 -5.00 135.00 133.73 3kiw s PRO 5 Ca 0.00 2.33 -0.10 0.00 0.02 0.00 0.00 61.00 63.25 3kiw s PRO 5 Cb 0.00 -2.86 0.04 0.00 0.02 0.00 0.00 34.50 31.70 3kiw s PRO 5 CO 0.00 -0.51 0.32 0.08 -0.33 0.00 0.00 177.00 176.57 3kiw s VAL 6 N -1.19 -0.01 -0.02 3.83 1.01 -1.26 -5.03 120.40 117.73 3kiw s VAL 6 Ca 0.55 0.03 -0.33 0.00 0.00 0.00 0.00 61.98 62.23 3kiw s VAL 6 Cb -0.42 -0.46 -0.11 0.00 0.00 0.00 0.00 36.38 35.39 3kiw s VAL 6 CO 0.55 0.01 1.87 -0.81 0.00 0.00 0.00 175.10 176.72 3kiw n PRO 7 N 3.26 2.38 0.22 2.72 -0.04 -1.26 -4.88 135.00 137.41 3kiw n PRO 7 Ca -0.16 0.87 0.09 0.00 -0.04 0.00 0.00 63.50 64.26 3kiw n PRO 7 Cb 0.57 -2.74 0.49 0.00 -0.04 0.00 0.00 33.50 31.79 3kiw n PRO 7 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3kiw h LYS 8 N 9.08 0.00 -3.27 0.54 1.63 -2.03 -3.45 116.57 119.07 3kiw h LYS 8 Ca -0.48 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.20 3kiw h LYS 8 Cb 1.26 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.70 3kiw h LYS 8 CO 0.94 0.25 -0.33 0.15 -3.45 0.00 0.00 179.45 177.01 3kiw s LYS 9 N -3.85 0.67 0.06 1.90 -0.14 -1.26 -5.12 119.74 112.00 3kiw s LYS 9 Ca -0.01 -0.38 -0.31 0.00 -1.36 0.00 0.00 55.97 53.92 3kiw s LYS 9 Cb 0.12 0.29 -0.08 0.00 -1.68 0.00 0.00 37.83 36.48 3kiw s LYS 9 CO 0.64 -0.19 1.57 0.21 -0.76 0.00 0.00 175.35 176.83 3kiw s LYS 10 N -1.81 4.22 -0.11 1.68 2.20 -1.26 -4.92 119.74 119.74 3kiw s LYS 10 Ca -0.11 2.24 -0.29 0.00 -0.36 0.00 0.00 55.97 57.45 3kiw s LYS 10 Cb -0.04 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3kiw s LYS 10 CO 0.01 -0.67 1.64 0.95 -0.36 0.00 0.00 175.35 176.91 3kiw s THR 11 N 2.39 3.64 0.81 3.43 -4.23 -1.26 -4.95 115.64 115.47 3kiw s THR 11 Ca 0.71 0.75 -0.15 0.00 -1.18 0.00 0.00 61.69 61.82 3kiw s THR 11 Cb -0.38 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 3kiw s THR 11 CO 0.31 -0.13 0.35 -1.54 -0.54 0.00 0.00 174.62 173.07 3kiw n SER 12 N 7.60 -2.00 -0.16 3.99 3.41 -1.26 -4.62 113.62 120.58 3kiw n SER 12 Ca 0.18 0.47 -0.05 0.00 -0.26 0.00 0.00 58.87 59.21 3kiw n SER 12 Cb 0.44 -1.16 0.04 0.00 -0.26 0.00 0.00 64.21 63.26 3kiw n SER 12 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kiw h LYS 13 N -0.81 0.49 -0.33 4.33 6.56 -1.99 -0.80 116.57 124.03 3kiw h LYS 13 Ca -0.44 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.15 3kiw h LYS 13 Cb 1.33 -0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 32.82 3kiw h LYS 13 CO 0.38 0.32 -0.32 0.00 -2.06 0.00 0.00 179.45 177.78 3kiw h ALA 14 N 1.24 -0.48 -0.00 3.86 0.00 -1.99 0.40 119.26 122.28 3kiw h ALA 14 Ca 0.20 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3kiw h ALA 14 Cb 0.08 1.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3kiw h ALA 14 CO -0.13 -0.66 -0.26 -0.09 0.00 0.00 0.00 179.25 178.11 3kiw h ARG 15 N -0.15 0.01 0.75 0.00 2.43 -1.85 0.71 114.38 116.27 3kiw h ARG 15 Ca 0.06 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3kiw h ARG 15 Cb 0.30 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3kiw h ARG 15 CO -0.39 0.27 -0.36 -0.09 -1.51 0.00 0.00 179.97 177.88 3kiw h ARG 16 N 0.01 -0.98 -0.37 0.20 2.43 0.21 -1.68 114.38 114.20 3kiw h ARG 16 Ca -0.00 0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3kiw h ARG 16 Cb 0.47 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3kiw h ARG 16 CO 0.03 -0.65 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.25 3kiw h ASP 17 N -1.01 0.67 -0.48 -3.80 3.32 -0.86 -2.40 116.42 111.86 3kiw h ASP 17 Ca -0.10 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 56.81 3kiw h ASP 17 Cb 0.78 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 3kiw h ASP 17 CO 0.17 0.84 0.32 0.00 -1.72 0.00 0.00 179.24 178.85 3kiw h ALA 18 N 1.22 1.95 -0.09 3.45 0.00 -0.74 0.20 119.26 125.26 3kiw h ALA 18 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3kiw h ALA 18 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kiw h ALA 18 CO 0.04 -0.04 -0.41 -0.09 0.00 0.00 0.00 179.25 178.75 3kiw h ARG 19 N 0.38 0.21 -0.09 0.00 2.43 -0.79 -2.72 114.38 113.80 3kiw h ARG 19 Ca 0.21 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kiw h ARG 19 Cb 0.34 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3kiw h ARG 19 CO -0.05 0.59 0.00 0.54 -1.51 0.00 0.00 179.97 179.54 3kiw n ARG 20 N -4.03 1.22 -0.25 0.20 1.74 0.70 -4.08 116.66 112.16 3kiw n ARG 20 Ca -0.01 -0.34 0.03 0.00 -0.77 0.00 0.00 57.85 56.75 3kiw n ARG 20 Cb 0.47 -1.13 0.16 0.00 -1.02 0.00 0.00 32.46 30.94 3kiw n ARG 20 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kiw h SER 21 N 0.59 0.36 0.00 0.55 4.64 -1.27 -0.18 113.55 118.24 3kiw h SER 21 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3kiw h SER 21 Cb 0.13 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3kiw h SER 21 CO 0.00 0.18 0.00 1.41 -0.87 0.00 0.00 176.83 177.55 3kiw n HIS 22 N -4.94 0.00 0.96 4.77 8.25 -1.26 -3.88 115.22 119.12 3kiw n HIS 22 Ca 0.13 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.70 3kiw n HIS 22 Cb 0.34 0.00 0.54 0.00 1.12 0.00 0.00 29.99 32.00 3kiw n HIS 22 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3kiw n HIS 23 N -0.98 0.00 -1.38 4.41 -0.00 -0.08 -4.90 115.22 112.29 3kiw n HIS 23 Ca 0.23 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.54 3kiw n HIS 23 Cb 0.11 -0.39 0.01 0.00 -0.00 0.00 0.00 29.99 29.71 3kiw n HIS 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kiw n ALA 24 N -1.39 -2.12 -2.87 -1.41 0.00 -1.25 -4.95 120.51 106.52 3kiw n ALA 24 Ca 0.08 0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 3kiw n ALA 24 Cb 0.23 -1.64 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 3kiw n ALA 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kiw s LEU 25 N 2.84 4.37 -0.21 0.00 0.20 -1.26 -5.09 118.68 119.52 3kiw s LEU 25 Ca 0.62 0.40 -0.11 0.00 0.69 0.00 0.00 54.13 55.73 3kiw s LEU 25 Cb -0.58 -2.68 -0.05 0.00 -0.43 0.00 0.00 46.19 42.45 3kiw s LEU 25 CO 0.60 0.25 0.16 0.28 -0.29 0.00 0.00 176.35 177.35 3kiw s THR 26 N -1.34 5.38 0.42 3.68 -1.32 -1.26 -5.07 115.64 116.12 3kiw s THR 26 Ca 0.28 0.23 -0.26 0.00 -1.21 0.00 0.00 61.69 60.74 3kiw s THR 26 Cb -0.13 -3.50 -0.10 0.00 -1.51 0.00 0.00 72.50 67.26 3kiw s THR 26 CO 0.19 0.40 1.39 -2.65 -2.21 0.00 0.00 174.62 171.73 3kiw n PRO 27 N 3.83 2.25 -1.06 7.08 -0.02 -1.26 -4.93 135.00 140.89 3kiw n PRO 27 Ca -0.15 0.80 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 3kiw n PRO 27 Cb 0.52 -2.54 0.13 0.00 -0.02 0.00 0.00 33.50 31.59 3kiw n PRO 27 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kiw n PRO 28 N 0.09 0.11 -3.39 0.52 -0.04 -1.26 -4.94 135.00 126.08 3kiw n PRO 28 Ca 0.05 0.11 -0.39 0.00 -0.04 0.00 0.00 63.50 63.23 3kiw n PRO 28 Cb 0.40 -2.41 -0.09 0.00 -0.04 0.00 0.00 33.50 31.37 3kiw n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kiw s THR 29 N -2.18 5.18 0.05 0.52 -4.23 -1.26 -5.06 115.64 108.66 3kiw s THR 29 Ca 0.72 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.89 3kiw s THR 29 Cb -0.28 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 69.83 3kiw s THR 29 CO 0.52 0.18 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.88 3kiw s LEU 30 N 1.87 2.20 0.06 4.79 1.43 -1.26 -4.14 118.68 123.63 3kiw s LEU 30 Ca 0.16 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3kiw s LEU 30 Cb -0.15 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3kiw s LEU 30 CO 0.09 0.00 -0.09 0.68 0.23 0.00 0.00 176.35 177.26 3kiw s VAL 31 N -0.97 0.72 0.57 -1.59 -7.23 -0.14 -4.94 120.40 106.82 3kiw s VAL 31 Ca 0.01 -1.26 -0.18 0.00 -1.81 0.00 0.00 61.98 58.74 3kiw s VAL 31 Cb -0.08 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 3kiw s VAL 31 CO 0.02 -0.41 1.09 -2.84 -0.31 0.00 0.00 175.10 172.64 3kiw s PRO 32 N -1.94 3.32 -0.27 4.82 0.02 -1.26 -1.23 135.00 138.45 3kiw s PRO 32 Ca -0.05 1.41 -0.26 0.00 0.02 0.00 0.00 61.00 62.12 3kiw s PRO 32 Cb -0.08 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3kiw s PRO 32 CO 0.00 -0.84 0.92 0.00 -0.33 0.00 0.00 177.00 176.75 3kiw n PRO 34 N 6.29 0.63 0.00 0.00 -0.04 -1.26 -3.03 135.00 137.59 3kiw n PRO 34 Ca 0.08 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3kiw n PRO 34 Cb 0.47 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3kiw n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kiw n GLU 35 N 2.12 0.00 0.00 0.54 -0.58 -1.26 -5.10 120.64 116.35 3kiw n GLU 35 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3kiw n GLU 35 Cb 0.30 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 3kiw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kiw h LYS 37 N 0.00 0.14 -3.32 0.00 2.10 -1.94 -3.30 116.57 110.24 3kiw h LYS 37 Ca 0.00 -0.03 -0.45 0.00 -2.00 0.00 0.00 60.65 58.16 3kiw h LYS 37 Cb 0.00 -0.02 0.02 0.00 -0.90 0.00 0.00 32.23 31.33 3kiw h LYS 37 CO 0.00 0.33 0.14 0.00 -2.00 0.00 0.00 179.45 177.91 3kiw n ALA 38 N -2.49 -1.79 -2.66 0.07 0.00 -1.26 -4.14 120.51 108.23 3kiw n ALA 38 Ca -0.01 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 3kiw n ALA 38 Cb 0.28 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 3kiw n ALA 38 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kiw s MET 39 N 0.50 4.37 0.09 0.00 -1.94 -1.26 -1.16 119.30 119.90 3kiw s MET 39 Ca 0.53 0.69 -0.04 0.00 -1.71 0.00 0.00 55.69 55.16 3kiw s MET 39 Cb -0.74 -3.42 -0.02 0.00 2.01 0.00 0.00 34.83 32.66 3kiw s MET 39 CO 0.36 0.17 0.09 -1.59 -0.01 0.00 0.00 175.02 174.03 3kiw s LYS 40 N 0.50 0.79 0.35 2.03 -2.85 -0.37 -4.95 119.74 115.25 3kiw s LYS 40 Ca 0.32 -1.16 -0.28 0.00 -1.00 0.00 0.00 55.97 53.85 3kiw s LYS 40 Cb -0.17 0.28 -0.10 0.00 -2.06 0.00 0.00 37.83 35.78 3kiw s LYS 40 CO 0.15 -0.21 1.25 -1.25 0.10 0.00 0.00 175.35 175.39 3kiw s PRO 41 N -3.92 4.27 0.49 1.78 0.04 -1.26 -0.96 135.00 135.44 3kiw s PRO 41 Ca 0.10 2.08 -0.24 0.00 0.04 0.00 0.00 61.00 62.98 3kiw s PRO 41 Cb 0.06 -2.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.57 3kiw s PRO 41 CO -0.08 -0.21 1.41 -1.25 0.04 0.00 0.00 177.00 176.92 3kiw s PRO 42 N -1.91 3.45 -0.99 0.56 0.04 -1.26 -2.91 135.00 131.98 3kiw s PRO 42 Ca 0.51 2.37 -0.01 0.00 0.04 0.00 0.00 61.00 63.92 3kiw s PRO 42 Cb -0.37 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3kiw s PRO 42 CO 0.48 -0.99 0.10 0.72 0.04 0.00 0.00 177.00 177.35 3kiw n HIS 43 N -0.53 -0.73 -3.89 0.56 8.25 -1.26 -5.02 115.22 112.60 3kiw n HIS 43 Ca 0.07 0.09 -0.24 0.00 -0.26 0.00 0.00 57.72 57.38 3kiw n HIS 43 Cb 0.43 -2.80 -0.17 0.00 1.12 0.00 0.00 29.99 28.56 3kiw n HIS 43 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kiw s THR 44 N -2.69 0.61 0.02 1.59 2.01 -1.15 -5.10 115.64 110.94 3kiw s THR 44 Ca 0.05 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 3kiw s THR 44 Cb -0.02 -0.70 -0.07 0.00 0.01 0.00 0.00 72.50 71.72 3kiw s THR 44 CO 0.06 0.29 1.67 -0.69 -0.69 0.00 0.00 174.62 175.26 3kiw s VAL 45 N 1.70 3.25 -0.07 3.82 1.01 -1.26 -4.83 120.40 124.02 3kiw s VAL 45 Ca 0.02 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.58 3kiw s VAL 45 Cb -0.13 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3kiw s VAL 45 CO -0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 175.10 174.88 3kiw n PRO 47 N 3.70 -0.16 -2.01 0.00 -0.04 -1.26 -3.40 135.00 131.83 3kiw n PRO 47 Ca -0.22 0.78 -0.26 0.00 -0.04 0.00 0.00 63.50 63.76 3kiw n PRO 47 Cb 0.52 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 3kiw n PRO 47 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kiw s GLU 48 N -5.40 2.41 0.00 0.54 2.02 -1.26 -1.22 118.70 115.79 3kiw s GLU 48 Ca -0.07 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.28 3kiw s GLU 48 Cb 0.09 -5.12 0.00 0.00 0.10 0.00 0.00 34.13 29.19 3kiw s GLU 48 CO 0.35 -3.81 0.00 0.00 0.02 0.00 0.00 175.26 171.81 3kiw n GLY 50 N -0.09 0.15 0.00 0.00 0.00 -0.36 -4.78 105.19 100.12 3kiw n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kiw n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kiw n TYR 51 N 0.00 0.00 0.00 1.61 9.36 -1.26 -3.90 117.16 122.97 3kiw n TYR 51 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3kiw n TYR 51 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3kiw n TYR 51 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3kiw n TYR 52 N 9.00 0.00 0.00 2.98 4.01 -1.26 -4.58 117.16 127.31 3kiw n TYR 52 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kiw n TYR 52 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3kiw n TYR 52 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kiw n ALA 53 N -0.31 0.00 -3.13 -0.72 0.00 -1.26 -5.16 120.51 109.93 3kiw n ALA 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3kiw n ALA 53 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3kiw n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kiw s GLY 54 N 0.00 1.51 0.00 0.00 0.00 -1.26 -4.89 107.32 102.68 3kiw s GLY 54 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3kiw s GLY 54 CO 0.00 -0.19 0.00 0.54 0.00 0.00 0.00 173.10 173.45 3kiw n ARG 55 N 3.58 0.00 -0.99 2.90 3.00 -1.26 -5.00 116.66 118.88 3kiw n ARG 55 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.66 3kiw n ARG 55 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 3kiw n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26