#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LYS 3 N 0.00 0.39 0.00 0.00 2.85 -1.26 -5.11 118.16 115.03 3kiy n LYS 3 Ca 0.00 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.53 3kiy n LYS 3 Cb 0.00 1.62 0.00 0.00 -0.65 0.00 0.00 35.03 36.00 3kiy n LYS 3 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 3kiy n HIS 4 N -0.35 0.00 -1.94 5.58 -0.00 -1.26 -4.68 115.22 112.57 3kiy n HIS 4 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.32 3kiy n HIS 4 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.33 3kiy n HIS 4 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3kiy s PRO 5 N -0.49 4.18 -0.10 1.57 0.02 -1.26 -5.00 135.00 133.92 3kiy s PRO 5 Ca 0.00 2.40 -0.08 0.00 0.02 0.00 0.00 61.00 63.34 3kiy s PRO 5 Cb 0.00 -2.99 0.03 0.00 0.02 0.00 0.00 34.50 31.57 3kiy s PRO 5 CO 0.00 -0.41 0.26 0.08 -0.33 0.00 0.00 177.00 176.61 3kiy s VAL 6 N -1.14 -0.01 -0.04 3.83 1.01 -1.26 -5.03 120.40 117.76 3kiy s VAL 6 Ca 0.52 0.04 -0.33 0.00 0.00 0.00 0.00 61.98 62.20 3kiy s VAL 6 Cb -0.43 -0.38 -0.12 0.00 0.00 0.00 0.00 36.38 35.45 3kiy s VAL 6 CO 0.58 0.02 1.86 -0.81 0.00 0.00 0.00 175.10 176.75 3kiy n PRO 7 N 3.30 2.29 0.23 2.72 -0.04 -1.26 -4.87 135.00 137.38 3kiy n PRO 7 Ca -0.16 0.84 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 3kiy n PRO 7 Cb 0.57 -2.69 0.55 0.00 -0.04 0.00 0.00 33.50 31.88 3kiy n PRO 7 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3kiy h LYS 8 N 9.03 0.00 -3.19 0.54 1.63 -2.03 -3.45 116.57 119.09 3kiy h LYS 8 Ca -0.48 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.21 3kiy h LYS 8 Cb 1.26 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.71 3kiy h LYS 8 CO 0.94 0.20 -0.27 0.15 -3.45 0.00 0.00 179.45 177.02 3kiy s LYS 9 N -3.83 0.73 0.09 1.90 -0.14 -1.26 -5.12 119.74 112.11 3kiy s LYS 9 Ca -0.01 -0.36 -0.31 0.00 -1.36 0.00 0.00 55.97 53.93 3kiy s LYS 9 Cb 0.11 0.32 -0.08 0.00 -1.68 0.00 0.00 37.83 36.50 3kiy s LYS 9 CO 0.62 -0.22 1.56 0.21 -0.76 0.00 0.00 175.35 176.76 3kiy s LYS 10 N -1.96 4.23 -0.10 1.68 2.20 -1.26 -4.92 119.74 119.62 3kiy s LYS 10 Ca -0.09 2.25 -0.29 0.00 -0.36 0.00 0.00 55.97 57.47 3kiy s LYS 10 Cb -0.03 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3kiy s LYS 10 CO 0.00 -0.64 1.61 0.95 -0.36 0.00 0.00 175.35 176.91 3kiy s THR 11 N 2.05 3.68 0.78 3.43 -4.23 -1.26 -4.96 115.64 115.13 3kiy s THR 11 Ca 0.70 0.82 -0.15 0.00 -1.18 0.00 0.00 61.69 61.87 3kiy s THR 11 Cb -0.39 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 69.87 3kiy s THR 11 CO 0.31 -0.11 0.48 -1.54 -0.54 0.00 0.00 174.62 173.22 3kiy n SER 12 N 7.35 -1.48 -0.19 3.99 3.41 -1.26 -4.64 113.62 120.80 3kiy n SER 12 Ca 0.17 0.52 -0.03 0.00 -0.26 0.00 0.00 58.87 59.27 3kiy n SER 12 Cb 0.43 -1.21 0.07 0.00 -0.26 0.00 0.00 64.21 63.24 3kiy n SER 12 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kiy h LYS 13 N -0.67 0.57 -0.28 4.33 6.56 -1.99 -0.67 116.57 124.42 3kiy h LYS 13 Ca -0.45 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.14 3kiy h LYS 13 Cb 1.33 -0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.81 3kiy h LYS 13 CO 0.40 0.38 -0.33 0.00 -2.06 0.00 0.00 179.45 177.83 3kiy h ALA 14 N 1.30 -0.56 -0.08 3.86 0.00 -1.99 0.29 119.26 122.07 3kiy h ALA 14 Ca 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3kiy h ALA 14 Cb 0.14 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kiy h ALA 14 CO -0.16 -0.73 -0.20 -0.09 0.00 0.00 0.00 179.25 178.07 3kiy h ARG 15 N -0.21 0.13 0.71 0.00 2.43 -1.83 0.14 114.38 115.75 3kiy h ARG 15 Ca 0.05 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3kiy h ARG 15 Cb 0.34 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3kiy h ARG 15 CO -0.38 0.34 -0.42 -0.09 -1.51 0.00 0.00 179.97 177.91 3kiy h ARG 16 N 0.13 -1.01 -0.33 0.20 2.43 0.33 -1.25 114.38 114.87 3kiy h ARG 16 Ca 0.02 0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3kiy h ARG 16 Cb 0.43 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3kiy h ARG 16 CO 0.03 -0.68 -0.13 -0.44 -1.51 0.00 0.00 179.97 177.24 3kiy h ASP 17 N -1.05 0.57 -0.49 -3.80 3.32 -0.91 -2.28 116.42 111.78 3kiy h ASP 17 Ca -0.09 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 56.84 3kiy h ASP 17 Cb 0.84 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3kiy h ASP 17 CO 0.10 0.73 0.33 0.00 -1.72 0.00 0.00 179.24 178.68 3kiy h ALA 18 N 1.33 1.82 -0.11 3.45 0.00 -0.78 0.19 119.26 125.16 3kiy h ALA 18 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3kiy h ALA 18 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kiy h ALA 18 CO 0.03 0.12 -0.36 -0.09 0.00 0.00 0.00 179.25 178.95 3kiy h ARG 19 N 0.51 0.22 -0.10 0.00 2.43 -0.63 -2.57 114.38 114.23 3kiy h ARG 19 Ca 0.20 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kiy h ARG 19 Cb 0.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3kiy h ARG 19 CO -0.05 0.56 0.00 0.54 -1.51 0.00 0.00 179.97 179.51 3kiy n ARG 20 N -4.07 1.25 -0.27 0.20 1.74 0.65 -4.08 116.66 112.09 3kiy n ARG 20 Ca -0.01 -0.39 0.05 0.00 -0.77 0.00 0.00 57.85 56.72 3kiy n ARG 20 Cb 0.44 -1.12 0.18 0.00 -1.02 0.00 0.00 32.46 30.94 3kiy n ARG 20 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kiy h SER 21 N 0.65 0.45 -0.00 0.55 4.64 -1.26 -0.15 113.55 118.43 3kiy h SER 21 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3kiy h SER 21 Cb 0.15 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kiy h SER 21 CO 0.00 0.21 0.00 1.41 -0.87 0.00 0.00 176.83 177.58 3kiy n HIS 22 N -4.90 0.00 1.03 4.77 8.25 -1.26 -3.91 115.22 119.21 3kiy n HIS 22 Ca 0.14 -0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.72 3kiy n HIS 22 Cb 0.37 0.00 0.58 0.00 1.12 0.00 0.00 29.99 32.06 3kiy n HIS 22 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3kiy n HIS 23 N -0.96 0.00 -1.38 4.41 -0.00 -0.07 -4.91 115.22 112.31 3kiy n HIS 23 Ca 0.23 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.55 3kiy n HIS 23 Cb 0.11 -0.37 0.01 0.00 -0.00 0.00 0.00 29.99 29.74 3kiy n HIS 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kiy n ALA 24 N -1.37 -2.06 -2.89 -1.41 0.00 -1.25 -4.96 120.51 106.57 3kiy n ALA 24 Ca 0.09 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.25 3kiy n ALA 24 Cb 0.23 -1.64 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 3kiy n ALA 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kiy s LEU 25 N 2.76 4.37 -0.20 0.00 0.20 -1.26 -5.09 118.68 119.46 3kiy s LEU 25 Ca 0.62 0.39 -0.12 0.00 0.69 0.00 0.00 54.13 55.71 3kiy s LEU 25 Cb -0.54 -2.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.62 3kiy s LEU 25 CO 0.60 0.28 0.21 0.28 -0.29 0.00 0.00 176.35 177.43 3kiy s THR 26 N -1.28 5.35 0.43 3.68 -1.32 -1.26 -5.07 115.64 116.17 3kiy s THR 26 Ca 0.26 0.33 -0.26 0.00 -1.21 0.00 0.00 61.69 60.81 3kiy s THR 26 Cb -0.13 -3.55 -0.09 0.00 -1.51 0.00 0.00 72.50 67.23 3kiy s THR 26 CO 0.16 0.38 1.40 -2.65 -2.21 0.00 0.00 174.62 171.71 3kiy n PRO 27 N 3.87 2.23 -1.02 7.08 -0.02 -1.26 -4.94 135.00 140.95 3kiy n PRO 27 Ca -0.14 0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 3kiy n PRO 27 Cb 0.52 -2.58 0.14 0.00 -0.02 0.00 0.00 33.50 31.56 3kiy n PRO 27 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kiy s PRO 28 N -2.34 1.48 -0.27 0.52 0.04 -1.26 -4.95 135.00 128.22 3kiy s PRO 28 Ca 0.60 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 3kiy s PRO 28 Cb -0.47 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3kiy s PRO 28 CO 0.58 -2.33 0.38 0.95 0.04 0.00 0.00 177.00 176.62 3kiy s THR 29 N -2.22 5.17 0.04 1.26 -4.23 -1.26 -5.06 115.64 109.33 3kiy s THR 29 Ca 0.72 0.57 0.05 0.00 -1.18 0.00 0.00 61.69 61.86 3kiy s THR 29 Cb -0.28 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 69.84 3kiy s THR 29 CO 0.52 0.15 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.83 3kiy s LEU 30 N 2.08 2.16 0.08 4.79 1.43 -1.26 -4.09 118.68 123.86 3kiy s LEU 30 Ca 0.15 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3kiy s LEU 30 Cb -0.16 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 3kiy s LEU 30 CO 0.10 0.08 -0.11 0.68 0.23 0.00 0.00 176.35 177.33 3kiy s VAL 31 N -0.79 0.89 0.55 -1.59 -7.23 -0.20 -4.95 120.40 107.09 3kiy s VAL 31 Ca 0.04 -1.41 -0.18 0.00 -1.81 0.00 0.00 61.98 58.62 3kiy s VAL 31 Cb -0.08 -1.09 -0.06 0.00 0.56 0.00 0.00 36.38 35.71 3kiy s VAL 31 CO 0.01 -0.42 1.06 -2.84 -0.31 0.00 0.00 175.10 172.60 3kiy s PRO 32 N -2.20 3.49 -0.26 4.82 0.02 -1.26 -1.30 135.00 138.31 3kiy s PRO 32 Ca -0.00 1.33 -0.27 0.00 0.02 0.00 0.00 61.00 62.08 3kiy s PRO 32 Cb -0.07 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.41 3kiy s PRO 32 CO 0.01 -0.69 0.93 0.00 -0.33 0.00 0.00 177.00 176.92 3kiy n PRO 34 N 6.28 0.70 0.00 0.00 -0.04 -1.26 -3.03 135.00 137.65 3kiy n PRO 34 Ca 0.08 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3kiy n PRO 34 Cb 0.47 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3kiy n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kiy n GLU 35 N 2.23 0.00 0.00 0.54 -0.58 -1.26 -5.10 120.64 116.47 3kiy n GLU 35 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3kiy n GLU 35 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 3kiy n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kiy h LYS 37 N 0.00 0.23 -3.03 0.00 2.10 -1.94 -3.31 116.57 110.62 3kiy h LYS 37 Ca 0.00 -0.06 -0.41 0.00 -2.00 0.00 0.00 60.65 58.18 3kiy h LYS 37 Cb 0.00 -0.03 0.02 0.00 -0.90 0.00 0.00 32.23 31.32 3kiy h LYS 37 CO 0.00 0.40 0.14 0.00 -2.00 0.00 0.00 179.45 178.00 3kiy n ALA 38 N -2.49 -1.60 -2.69 0.07 0.00 -1.26 -4.13 120.51 108.41 3kiy n ALA 38 Ca -0.01 0.29 -0.39 0.00 0.00 0.00 0.00 53.44 53.32 3kiy n ALA 38 Cb 0.30 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 3kiy n ALA 38 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kiy s MET 39 N 0.53 4.41 0.08 0.00 -1.94 -1.26 -1.17 119.30 119.95 3kiy s MET 39 Ca 0.48 0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 55.20 3kiy s MET 39 Cb -0.68 -3.43 -0.03 0.00 2.01 0.00 0.00 34.83 32.70 3kiy s MET 39 CO 0.33 0.12 0.06 -1.59 -0.01 0.00 0.00 175.02 173.94 3kiy s LYS 40 N 0.65 0.77 0.37 2.03 -2.85 -0.42 -4.94 119.74 115.34 3kiy s LYS 40 Ca 0.34 -1.20 -0.27 0.00 -1.00 0.00 0.00 55.97 53.84 3kiy s LYS 40 Cb -0.17 0.26 -0.09 0.00 -2.06 0.00 0.00 37.83 35.77 3kiy s LYS 40 CO 0.16 -0.20 1.24 -1.25 0.10 0.00 0.00 175.35 175.40 3kiy s PRO 41 N -3.94 4.18 0.49 1.78 0.04 -1.26 -1.03 135.00 135.27 3kiy s PRO 41 Ca 0.11 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 3kiy s PRO 41 Cb 0.07 -2.88 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 3kiy s PRO 41 CO -0.07 -0.27 1.40 -1.25 0.04 0.00 0.00 177.00 176.84 3kiy s PRO 42 N -2.03 3.45 -1.06 0.56 0.04 -1.26 -3.06 135.00 131.64 3kiy s PRO 42 Ca 0.53 2.33 -0.01 0.00 0.04 0.00 0.00 61.00 63.89 3kiy s PRO 42 Cb -0.36 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.70 3kiy s PRO 42 CO 0.46 -0.98 0.15 0.72 0.04 0.00 0.00 177.00 177.39 3kiy n HIS 43 N -0.56 -0.85 -3.81 0.56 8.25 -1.26 -5.02 115.22 112.53 3kiy n HIS 43 Ca 0.07 0.12 -0.24 0.00 -0.26 0.00 0.00 57.72 57.42 3kiy n HIS 43 Cb 0.43 -2.98 -0.17 0.00 1.12 0.00 0.00 29.99 28.39 3kiy n HIS 43 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kiy s THR 44 N -2.76 0.52 0.04 1.59 2.01 -1.17 -5.10 115.64 110.77 3kiy s THR 44 Ca 0.07 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 3kiy s THR 44 Cb -0.03 -0.64 -0.08 0.00 0.01 0.00 0.00 72.50 71.76 3kiy s THR 44 CO 0.09 0.28 1.71 -0.69 -0.69 0.00 0.00 174.62 175.32 3kiy s VAL 45 N 1.88 3.13 -0.07 3.82 1.01 -1.26 -4.83 120.40 124.08 3kiy s VAL 45 Ca 0.04 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.50 3kiy s VAL 45 Cb -0.12 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3kiy s VAL 45 CO -0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 175.10 174.88 3kiy n PRO 47 N 3.76 -0.15 -2.01 0.00 -0.04 -1.26 -3.35 135.00 131.96 3kiy n PRO 47 Ca -0.22 0.68 -0.26 0.00 -0.04 0.00 0.00 63.50 63.66 3kiy n PRO 47 Cb 0.52 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.92 3kiy n PRO 47 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kiy s GLU 48 N -5.32 2.40 0.00 0.54 2.02 -1.26 -1.11 118.70 115.96 3kiy s GLU 48 Ca -0.06 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.32 3kiy s GLU 48 Cb 0.07 -5.12 0.00 0.00 0.10 0.00 0.00 34.13 29.18 3kiy s GLU 48 CO 0.30 -3.80 0.00 0.00 0.02 0.00 0.00 175.26 171.78 3kiy n GLY 50 N -0.15 0.15 0.00 0.00 0.00 -0.27 -4.77 105.19 100.16 3kiy n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kiy n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kiy n TYR 51 N 0.00 0.00 0.00 1.61 9.36 -1.26 -3.87 117.16 123.00 3kiy n TYR 51 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3kiy n TYR 51 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3kiy n TYR 51 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3kiy n TYR 52 N 9.00 0.00 0.00 2.98 4.01 -1.26 -4.58 117.16 127.31 3kiy n TYR 52 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kiy n TYR 52 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3kiy n TYR 52 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kiy n ALA 53 N -0.27 0.00 -3.14 -0.72 0.00 -1.26 -5.16 120.51 109.96 3kiy n ALA 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3kiy n ALA 53 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3kiy n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kiy s GLY 54 N 0.00 1.48 0.00 0.00 0.00 -1.26 -4.88 107.32 102.65 3kiy s GLY 54 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3kiy s GLY 54 CO 0.00 -0.22 0.00 0.54 0.00 0.00 0.00 173.10 173.42 3kiy n ARG 55 N 3.55 0.00 -0.96 2.90 3.00 -1.26 -4.99 116.66 118.90 3kiy n ARG 55 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.66 3kiy n ARG 55 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 3kiy n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26