#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n LYS 3 N 0.00 2.39 0.00 0.00 4.01 -1.26 -4.94 118.16 118.36 3f1h n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3f1h n LYS 3 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3f1h n LYS 3 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3f1h n HIS 4 N 0.00 0.00 -1.87 2.13 8.25 -1.26 -4.46 115.22 118.01 3f1h n HIS 4 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 3f1h n HIS 4 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 3f1h n HIS 4 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3f1h s PRO 5 N 0.00 3.64 -0.21 -0.41 0.02 -1.26 -4.99 135.00 131.79 3f1h s PRO 5 Ca 0.00 2.30 -0.16 0.00 0.02 0.00 0.00 61.00 63.16 3f1h s PRO 5 Cb 0.00 -2.59 0.06 0.00 0.02 0.00 0.00 34.50 31.99 3f1h s PRO 5 CO 0.00 -0.81 0.53 0.08 -0.33 0.00 0.00 177.00 176.47 3f1h s VAL 6 N -1.25 -0.01 0.36 3.83 1.01 -1.26 -4.64 120.40 118.44 3f1h s VAL 6 Ca 0.62 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 3f1h s VAL 6 Cb -0.41 -0.76 -0.11 0.00 0.00 0.00 0.00 36.38 35.10 3f1h s VAL 6 CO 0.52 0.01 1.52 -2.84 0.00 0.00 0.00 175.10 174.31 3f1h s PRO 7 N 0.85 4.11 0.03 2.72 0.02 -1.26 -4.92 135.00 136.55 3f1h s PRO 7 Ca -0.05 2.58 0.04 0.00 0.02 0.00 0.00 61.00 63.60 3f1h s PRO 7 Cb -0.05 -2.98 -0.24 0.00 0.02 0.00 0.00 34.50 31.24 3f1h s PRO 7 CO -0.07 -0.56 0.96 -0.22 -0.33 0.00 0.00 177.00 176.78 3f1h h LYS 8 N 3.47 0.10 -2.98 5.54 1.63 -2.04 -3.47 116.57 118.83 3f1h h LYS 8 Ca -0.50 -0.17 -0.15 0.00 -0.85 0.00 0.00 60.65 58.98 3f1h h LYS 8 Cb 1.23 0.06 -0.25 0.00 -0.60 0.00 0.00 32.23 32.67 3f1h h LYS 8 CO 0.68 0.92 -0.36 0.15 -3.45 0.00 0.00 179.45 177.39 3f1h s LYS 9 N -2.65 0.35 -0.10 1.90 -0.14 -1.26 -5.12 119.74 112.72 3f1h s LYS 9 Ca -0.04 0.45 -0.38 0.00 -1.36 0.00 0.00 55.97 54.63 3f1h s LYS 9 Cb 0.08 0.15 -0.16 0.00 -1.68 0.00 0.00 37.83 36.23 3f1h s LYS 9 CO 0.83 -0.05 1.58 1.17 -0.76 0.00 0.00 175.35 178.12 3f1h n LYS 10 N 3.04 1.23 -1.73 1.68 4.81 -1.26 -4.86 118.16 121.08 3f1h n LYS 10 Ca -0.14 0.45 -0.42 0.00 -0.87 0.00 0.00 58.31 57.33 3f1h n LYS 10 Cb 0.57 -2.13 -0.02 0.00 0.02 0.00 0.00 35.03 33.48 3f1h n LYS 10 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3f1h n THR 11 N 3.71 0.80 -1.82 3.15 -1.04 -1.26 -4.90 114.28 112.92 3f1h n THR 11 Ca 0.23 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 3f1h n THR 11 Cb 0.17 -1.88 0.01 0.00 -1.82 0.00 0.00 70.33 66.80 3f1h n THR 11 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3f1h s SER 12 N 0.60 6.04 0.62 8.00 0.15 -1.26 -4.81 113.70 123.04 3f1h s SER 12 Ca 0.67 2.93 0.36 0.00 0.70 0.00 0.00 55.95 60.61 3f1h s SER 12 Cb -0.53 -2.66 2.07 0.00 -1.71 0.00 0.00 66.02 63.20 3f1h s SER 12 CO 0.46 -1.07 2.30 0.07 1.20 0.00 0.00 173.24 176.20 3f1h h LYS 13 N 2.54 0.00 0.04 5.44 2.10 -1.99 0.24 116.57 124.93 3f1h h LYS 13 Ca -0.51 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3f1h h LYS 13 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3f1h h LYS 13 CO 0.62 0.01 -0.02 0.00 -2.00 0.00 0.00 179.45 178.06 3f1h h ALA 14 N 1.99 -0.05 -0.27 0.07 0.00 -2.00 -3.08 119.26 115.93 3f1h h ALA 14 Ca -0.00 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.69 3f1h h ALA 14 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3f1h h ALA 14 CO 0.00 -0.07 0.21 -0.09 0.00 0.00 0.00 179.25 179.29 3f1h h ARG 15 N -0.95 0.00 0.58 0.00 2.43 -1.73 0.25 114.38 114.95 3f1h h ARG 15 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3f1h h ARG 15 Cb 0.61 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3f1h h ARG 15 CO 0.01 0.00 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.10 3f1h h ARG 16 N 0.00 -0.75 -0.00 0.20 2.43 -0.66 -2.79 114.38 112.81 3f1h h ARG 16 Ca 0.13 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3f1h h ARG 16 Cb 0.54 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3f1h h ARG 16 CO -0.00 -0.50 0.00 -0.44 -1.51 0.00 0.00 179.97 177.52 3f1h h ASP 17 N -0.91 0.00 -0.43 -3.80 3.32 -1.28 0.24 116.42 113.56 3f1h h ASP 17 Ca -0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3f1h h ASP 17 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3f1h h ASP 17 CO 0.13 0.00 0.15 0.00 -1.72 0.00 0.00 179.24 177.80 3f1h h ALA 18 N 2.00 0.56 0.00 3.45 0.00 -0.99 -1.67 119.26 122.60 3f1h h ALA 18 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3f1h h ALA 18 Cb 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3f1h h ALA 18 CO -0.00 0.19 -0.02 -0.09 0.00 0.00 0.00 179.25 179.33 3f1h h ARG 19 N 0.55 0.00 -0.43 0.00 2.43 -0.24 0.18 114.38 116.87 3f1h h ARG 19 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3f1h h ARG 19 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3f1h h ARG 19 CO -0.01 0.02 0.00 0.54 -1.51 0.00 0.00 179.97 179.01 3f1h n ARG 20 N -4.25 1.56 -0.35 0.20 1.74 -0.64 -4.28 116.66 110.64 3f1h n ARG 20 Ca -0.03 -0.64 -0.05 0.00 -0.77 0.00 0.00 57.85 56.36 3f1h n ARG 20 Cb 0.10 -1.32 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3f1h n ARG 20 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3f1h h SER 21 N 0.95 -1.58 -0.57 0.55 0.87 -0.51 -2.17 113.55 111.08 3f1h h SER 21 Ca 0.00 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3f1h h SER 21 Cb 0.44 0.78 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3f1h h SER 21 CO 0.04 -0.29 0.00 1.41 -0.53 0.00 0.00 176.83 177.46 3f1h n HIS 22 N -5.41 1.68 0.10 2.24 8.25 -1.26 -4.50 115.22 116.32 3f1h n HIS 22 Ca 0.07 -0.62 -0.04 0.00 -0.26 0.00 0.00 57.72 56.87 3f1h n HIS 22 Cb 0.36 -0.36 0.01 0.00 1.12 0.00 0.00 29.99 31.11 3f1h n HIS 22 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f1h h HIS 23 N 3.78 0.00 -3.11 4.41 -0.00 -1.69 -3.47 115.15 115.07 3f1h h HIS 23 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.81 3f1h h HIS 23 Cb 1.64 0.00 0.19 0.00 -0.00 0.00 0.00 27.41 29.23 3f1h h HIS 23 CO 0.88 0.81 -0.48 0.00 -0.00 0.00 0.00 177.93 179.14 3f1h n ALA 24 N -2.36 -1.70 -1.98 2.45 0.00 -1.26 -4.99 120.51 110.66 3f1h n ALA 24 Ca -0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 3f1h n ALA 24 Cb 0.80 -1.81 0.10 0.00 0.00 0.00 0.00 19.45 18.54 3f1h n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f1h s LEU 25 N 0.31 2.97 0.05 0.00 1.43 -1.26 -5.12 118.68 117.06 3f1h s LEU 25 Ca 0.64 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.63 3f1h s LEU 25 Cb -0.35 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 3f1h s LEU 25 CO 0.59 -1.84 -0.19 0.42 0.23 0.00 0.00 176.35 175.55 3f1h s THR 26 N -3.18 1.57 0.38 5.49 -4.23 -1.26 -5.12 115.64 109.28 3f1h s THR 26 Ca 0.65 -1.22 -0.28 0.00 -1.18 0.00 0.00 61.69 59.67 3f1h s THR 26 Cb -0.06 -1.38 -0.10 0.00 1.34 0.00 0.00 72.50 72.29 3f1h s THR 26 CO 0.44 0.12 1.44 -2.16 -0.54 0.00 0.00 174.62 173.93 3f1h s PRO 27 N -1.29 4.09 0.50 3.99 0.04 -1.26 -4.96 135.00 136.11 3f1h s PRO 27 Ca 0.06 2.48 -0.23 0.00 0.04 0.00 0.00 61.00 63.35 3f1h s PRO 27 Cb -0.09 -2.93 -0.07 0.00 0.04 0.00 0.00 34.50 31.45 3f1h s PRO 27 CO 0.02 -0.51 1.36 -0.35 0.04 0.00 0.00 177.00 177.56 3f1h n PRO 28 N 0.41 1.88 -2.74 0.56 -0.04 -1.26 -4.94 135.00 128.88 3f1h n PRO 28 Ca 0.01 0.68 -0.43 0.00 -0.04 0.00 0.00 63.50 63.73 3f1h n PRO 28 Cb 0.40 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.27 3f1h n PRO 28 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3f1h s ILE 29 N -1.25 4.25 0.33 0.52 -1.09 -1.26 -5.02 121.20 117.68 3f1h s ILE 29 Ca 0.67 0.54 0.09 0.00 -2.23 0.00 0.00 60.65 59.72 3f1h s ILE 29 Cb -0.44 -4.61 -0.05 0.00 -1.58 0.00 0.00 42.46 35.78 3f1h s ILE 29 CO 0.53 -1.19 0.05 -0.76 -1.23 0.00 0.00 174.94 172.33 3f1h s LEU 30 N 4.33 3.09 0.01 2.97 1.43 -1.26 -4.16 118.68 125.09 3f1h s LEU 30 Ca 0.36 -0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 3f1h s LEU 30 Cb -0.10 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3f1h s LEU 30 CO 0.22 -0.22 0.26 0.68 0.23 0.00 0.00 176.35 177.52 3f1h s VAL 31 N -2.47 0.08 0.35 -1.59 -7.23 0.32 -4.93 120.40 104.93 3f1h s VAL 31 Ca 0.35 -0.62 -0.26 0.00 -1.81 0.00 0.00 61.98 59.63 3f1h s VAL 31 Cb -0.02 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 36.12 3f1h s VAL 31 CO 0.20 -0.34 1.08 -2.84 -0.31 0.00 0.00 175.10 172.89 3f1h s PRO 32 N -1.82 4.34 0.09 4.82 0.02 -1.26 -0.02 135.00 141.17 3f1h s PRO 32 Ca -0.10 1.66 0.01 0.00 0.02 0.00 0.00 61.00 62.59 3f1h s PRO 32 Cb -0.04 -2.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.62 3f1h s PRO 32 CO 0.01 -0.02 0.24 0.00 -0.33 0.00 0.00 177.00 176.90 3f1h h PRO 34 N 2.76 1.07 0.00 0.00 0.13 -1.96 -3.39 132.00 130.60 3f1h h PRO 34 Ca -0.46 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3f1h h PRO 34 Cb 1.17 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3f1h h PRO 34 CO 0.73 0.71 0.00 0.39 -0.23 0.00 0.00 178.00 179.60 3f1h n GLU 35 N -4.54 0.00 -0.42 0.86 4.71 -1.26 -4.86 120.64 115.13 3f1h n GLU 35 Ca 0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.97 3f1h n GLU 35 Cb 0.11 0.00 0.28 0.00 -1.01 0.00 0.00 31.44 30.82 3f1h n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3f1h n LYS 37 N -5.37 0.74 -0.46 0.00 4.81 -1.26 -4.27 118.16 112.35 3f1h n LYS 37 Ca 0.08 -0.17 -0.31 0.00 -0.87 0.00 0.00 58.31 57.04 3f1h n LYS 37 Cb 0.57 -1.50 0.29 0.00 0.02 0.00 0.00 35.03 34.41 3f1h n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3f1h s ALA 38 N -2.37 -0.57 -0.13 3.14 0.00 -1.26 -4.68 121.76 115.89 3f1h s ALA 38 Ca 0.33 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 3f1h s ALA 38 Cb 0.21 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 3f1h s ALA 38 CO 0.44 -4.54 -0.06 -1.64 0.00 0.00 0.00 175.76 169.96 3f1h s MET 39 N -5.18 3.37 0.24 0.00 -1.94 -1.26 -2.55 119.30 111.98 3f1h s MET 39 Ca 0.69 -0.56 0.10 0.00 -1.71 0.00 0.00 55.69 54.21 3f1h s MET 39 Cb -0.11 -2.77 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 3f1h s MET 39 CO 0.57 0.35 -0.06 0.15 -0.01 0.00 0.00 175.02 176.02 3f1h s LYS 40 N 0.04 2.12 0.52 2.03 1.02 0.97 -4.90 119.74 121.54 3f1h s LYS 40 Ca -0.01 -1.43 -0.17 0.00 0.02 0.00 0.00 55.97 54.38 3f1h s LYS 40 Cb -0.14 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.00 3f1h s LYS 40 CO 0.03 0.38 1.00 -2.14 -0.92 0.00 0.00 175.35 173.70 3f1h s PRO 41 N -3.41 3.86 0.97 -1.68 0.02 -1.26 0.12 135.00 133.62 3f1h s PRO 41 Ca 0.29 1.02 -0.12 0.00 0.02 0.00 0.00 61.00 62.21 3f1h s PRO 41 Cb -0.07 -2.12 0.13 0.00 0.02 0.00 0.00 34.50 32.46 3f1h s PRO 41 CO 0.18 -0.34 0.86 -2.30 -0.33 0.00 0.00 177.00 175.06 3f1h n PRO 42 N -1.58 -0.70 -4.20 5.54 -0.02 -1.26 -3.35 135.00 129.43 3f1h n PRO 42 Ca 0.07 -0.15 -0.36 0.00 -2.02 0.00 0.00 63.50 61.04 3f1h n PRO 42 Cb 0.54 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 3f1h n PRO 42 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3f1h n HIS 43 N -4.16 -1.78 -3.62 6.00 8.25 -1.26 -4.93 115.22 113.71 3f1h n HIS 43 Ca 0.09 0.80 -0.14 0.00 -0.26 0.00 0.00 57.72 58.21 3f1h n HIS 43 Cb 0.53 -2.99 -0.13 0.00 1.12 0.00 0.00 29.99 28.52 3f1h n HIS 43 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3f1h s THR 44 N -3.27 -0.40 0.24 1.59 -4.23 -1.21 -5.13 115.64 103.23 3f1h s THR 44 Ca 0.75 0.20 -0.31 0.00 -1.18 0.00 0.00 61.69 61.15 3f1h s THR 44 Cb -0.41 -0.49 -0.13 0.00 1.34 0.00 0.00 72.50 72.81 3f1h s THR 44 CO 0.92 0.06 1.47 0.52 -0.54 0.00 0.00 174.62 177.04 3f1h n VAL 45 N 5.35 0.85 -3.81 2.29 0.31 -1.26 -4.74 118.33 117.31 3f1h n VAL 45 Ca -0.06 -0.21 -0.12 0.00 -0.01 0.00 0.00 64.34 63.94 3f1h n VAL 45 Cb 0.50 -1.58 -0.09 0.00 -0.91 0.00 0.00 33.84 31.75 3f1h n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f1h n PRO 47 N 1.46 1.12 -0.99 0.00 -0.04 -1.26 -2.61 135.00 132.68 3f1h n PRO 47 Ca -0.22 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3f1h n PRO 47 Cb 0.56 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 3f1h n PRO 47 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3f1h n GLU 48 N -1.05 -0.01 0.00 0.54 4.07 -1.26 -4.85 120.64 118.08 3f1h n GLU 48 Ca 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 3f1h n GLU 48 Cb 0.46 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.19 3f1h n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3f1h n GLY 50 N 2.52 0.25 0.00 0.00 0.00 -1.10 -4.79 105.19 102.07 3f1h n GLY 50 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3f1h n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3f1h n TYR 51 N 0.00 0.00 -3.15 1.61 -0.00 -1.26 -4.32 117.16 110.04 3f1h n TYR 51 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.95 3f1h n TYR 51 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3f1h n TYR 51 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 3f1h s TYR 52 N -4.00 -0.83 0.00 2.98 -0.85 -1.26 -5.13 117.35 108.26 3f1h s TYR 52 Ca 0.00 0.53 0.00 0.00 -0.52 0.00 0.00 57.07 57.08 3f1h s TYR 52 Cb 0.00 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.50 3f1h s TYR 52 CO 0.00 -0.48 0.00 0.00 -1.52 0.00 0.00 175.55 173.55