#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hay n ARG 4 N 0.00 3.39 -2.01 -1.08 1.85 -1.26 -5.06 116.66 112.49 3hay n ARG 4 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 3hay n ARG 4 Cb 0.00 -0.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.83 3hay n ARG 4 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3hay s ILE 5 N -0.57 3.55 0.40 8.89 1.01 -1.26 -4.72 121.20 128.50 3hay s ILE 5 Ca 0.00 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.34 3hay s ILE 5 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 3hay s ILE 5 CO 0.00 -0.24 0.19 -0.13 0.00 0.00 0.00 174.94 174.75 3hay s ARG 6 N 4.88 2.27 -0.03 2.79 0.52 -1.11 -1.83 118.95 126.43 3hay s ARG 6 Ca 0.76 -1.77 -0.13 0.00 -0.52 0.00 0.00 55.73 54.07 3hay s ARG 6 Cb -0.27 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.18 3hay s ARG 6 CO 0.31 -0.08 0.29 0.21 0.02 0.00 0.00 175.30 176.05 3hay s LYS 7 N -3.91 0.60 0.13 3.54 2.20 0.16 -2.56 119.74 119.90 3hay s LYS 7 Ca 0.41 -0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 3hay s LYS 7 Cb 0.02 0.27 -0.07 0.00 -1.51 0.00 0.00 37.83 36.54 3hay s LYS 7 CO 0.23 -0.15 0.91 0.00 -0.36 0.00 0.00 175.35 175.97 3hay n PRO 9 N 2.39 2.10 0.00 0.00 -0.04 -1.26 -3.84 135.00 134.35 3hay n PRO 9 Ca -0.00 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 3hay n PRO 9 Cb 0.49 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3hay n PRO 9 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3hay n LYS 10 N -0.10 0.00 -0.07 0.54 4.81 -1.26 -5.01 118.16 117.07 3hay n LYS 10 Ca 0.41 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.75 3hay n LYS 10 Cb 0.63 -0.06 -0.06 0.00 0.02 0.00 0.00 35.03 35.56 3hay n LYS 10 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hay n GLY 12 N 2.77 1.11 3.40 0.00 0.00 -1.25 -5.08 105.19 106.14 3hay n GLY 12 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3hay n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hay s ARG 13 N -0.08 3.33 0.07 1.61 6.06 -1.26 -4.92 118.95 123.75 3hay s ARG 13 Ca 0.00 -0.66 -0.20 0.00 -2.50 0.00 0.00 55.73 52.37 3hay s ARG 13 Cb 0.00 -2.64 -0.07 0.00 0.06 0.00 0.00 34.95 32.30 3hay s ARG 13 CO 0.00 0.27 0.60 0.71 -2.50 0.00 0.00 175.30 174.37 3hay s TYR 14 N 0.22 3.80 0.00 5.12 1.51 -1.26 -1.82 117.35 124.92 3hay s TYR 14 Ca -0.08 1.30 0.00 0.00 -1.01 0.00 0.00 57.07 57.29 3hay s TYR 14 Cb -0.15 -2.55 0.00 0.00 -0.11 0.00 0.00 41.96 39.15 3hay s TYR 14 CO 0.05 0.54 0.00 -2.37 -1.11 0.00 0.00 175.55 172.66 3hay n THR 15 N 1.86 0.00 0.00 -0.71 5.66 -1.06 -5.00 114.28 115.03 3hay n THR 15 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 3hay n THR 15 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 3hay n THR 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3hay n LEU 16 N 0.00 0.00 0.00 1.09 4.77 -1.26 -2.76 117.00 118.84 3hay n LEU 16 Ca 0.00 -0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.66 3hay n LEU 16 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 3hay n LEU 16 CO 0.00 0.00 0.71 0.29 -1.33 0.00 0.00 177.39 177.06 3hay n LYS 17 N -1.29 -2.56 -0.02 3.23 4.76 -1.26 -4.94 118.16 116.08 3hay n LYS 17 Ca 0.00 -1.87 -0.21 0.00 -2.87 0.00 0.00 58.31 53.36 3hay n LYS 17 Cb 0.00 -1.57 -0.14 0.00 -1.84 0.00 0.00 35.03 31.49 3hay n LYS 17 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hay n GLU 18 N -4.55 0.74 -3.57 1.97 1.02 -1.26 -4.85 120.64 110.15 3hay n GLU 18 Ca 0.16 0.24 -0.33 0.00 -0.02 0.00 0.00 57.16 57.21 3hay n GLU 18 Cb 0.59 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 3hay n GLU 18 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hay s VAL 19 N -2.55 5.08 -0.21 2.62 -7.23 -1.26 -0.53 120.40 116.31 3hay s VAL 19 Ca -0.25 0.35 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 3hay s VAL 19 Cb 0.07 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 3hay s VAL 19 CO 0.74 0.15 1.91 0.00 -0.31 0.00 0.00 175.10 177.59 3hay n PRO 21 N 8.22 0.46 0.00 0.00 -0.04 -1.26 -2.19 135.00 140.19 3hay n PRO 21 Ca 0.24 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3hay n PRO 21 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3hay n PRO 21 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hay n VAL 22 N -1.10 0.00 -0.03 0.52 0.31 -1.26 -4.89 118.33 111.87 3hay n VAL 22 Ca 0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.30 3hay n VAL 22 Cb 0.09 -0.57 -0.04 0.00 -0.91 0.00 0.00 33.84 32.41 3hay n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hay n GLY 24 N 0.55 1.80 3.97 0.00 0.00 -0.93 -5.03 105.19 105.55 3hay n GLY 24 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 3hay n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hay s GLU 25 N -0.35 2.48 0.15 1.61 2.56 -1.26 -4.68 118.70 119.20 3hay s GLU 25 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 54.97 53.90 3hay s GLU 25 Cb 0.00 -2.46 -0.07 0.00 2.00 0.00 0.00 34.13 33.60 3hay s GLU 25 CO 0.00 -0.78 1.09 0.15 -0.56 0.00 0.00 175.26 175.16 3hay s LYS 26 N -4.81 4.58 0.04 4.30 -0.14 -1.26 0.50 119.74 122.95 3hay s LYS 26 Ca 0.58 1.68 -0.06 0.00 -1.36 0.00 0.00 55.97 56.81 3hay s LYS 26 Cb -0.10 -3.31 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 3hay s LYS 26 CO 0.39 0.04 0.29 0.95 -0.76 0.00 0.00 175.35 176.27 3hay s THR 27 N 0.01 5.27 0.20 2.17 -4.23 0.31 -4.55 115.64 114.82 3hay s THR 27 Ca 0.50 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 61.22 3hay s THR 27 Cb -0.28 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 3hay s THR 27 CO 0.33 0.29 -0.16 -0.54 -0.54 0.00 0.00 174.62 174.00 3hay s LYS 28 N -1.98 1.35 0.28 3.99 1.02 -1.02 -4.95 119.74 118.43 3hay s LYS 28 Ca 0.31 -1.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.44 3hay s LYS 28 Cb -0.13 -1.22 -0.10 0.00 -0.52 0.00 0.00 37.83 35.85 3hay s LYS 28 CO 0.19 0.22 1.39 0.08 -0.92 0.00 0.00 175.35 176.30 3hay s VAL 29 N -2.71 2.69 0.06 3.17 1.01 -1.26 -0.67 120.40 122.69 3hay s VAL 29 Ca 0.21 0.62 -0.15 0.00 0.00 0.00 0.00 61.98 62.66 3hay s VAL 29 Cb -0.02 -3.40 -0.24 0.00 0.00 0.00 0.00 36.38 32.72 3hay s VAL 29 CO 0.08 0.12 1.16 0.00 0.00 0.00 0.00 175.10 176.46 3hay h ALA 30 N 4.38 0.10 -2.35 5.51 0.00 -1.64 -3.44 119.26 121.82 3hay h ALA 30 Ca -0.47 -0.69 -0.54 0.00 0.00 0.00 0.00 54.91 53.21 3hay h ALA 30 Cb 1.22 0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.10 3hay h ALA 30 CO 0.73 0.63 1.21 0.72 0.00 0.00 0.00 179.25 182.54 3hay n HIS 31 N -3.91 2.52 -1.37 0.00 8.25 -1.26 -4.95 115.22 114.51 3hay n HIS 31 Ca -0.11 -0.32 -0.34 0.00 -0.26 0.00 0.00 57.72 56.68 3hay n HIS 31 Cb 0.86 -2.79 0.10 0.00 1.12 0.00 0.00 29.99 29.29 3hay n HIS 31 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3hay s PRO 32 N 4.19 2.04 0.32 -0.41 0.02 -1.26 -4.92 135.00 134.98 3hay s PRO 32 Ca 0.88 1.75 -0.28 0.00 0.02 0.00 0.00 61.00 63.37 3hay s PRO 32 Cb -0.46 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.11 3hay s PRO 32 CO 0.42 -1.91 1.19 -0.35 -0.33 0.00 0.00 177.00 176.02 3hay n PRO 33 N -2.85 1.84 -2.21 5.54 -0.04 -1.26 -4.94 135.00 131.09 3hay n PRO 33 Ca 0.13 0.65 -0.40 0.00 -0.04 0.00 0.00 63.50 63.84 3hay n PRO 33 Cb 0.50 -2.15 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 3hay n PRO 33 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3hay s ARG 34 N -1.77 4.35 0.03 0.54 3.52 -1.26 -5.03 118.95 119.33 3hay s ARG 34 Ca 0.57 2.08 0.06 0.00 -0.13 0.00 0.00 55.73 58.31 3hay s ARG 34 Cb -0.61 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3hay s ARG 34 CO 0.61 -0.14 -0.18 0.12 -0.81 0.00 0.00 175.30 174.90 3hay s PHE 35 N -1.19 1.61 0.00 5.12 5.36 -1.26 -5.14 117.98 122.48 3hay s PHE 35 Ca 0.49 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 56.16 3hay s PHE 35 Cb -0.37 -0.97 -0.03 0.00 -0.34 0.00 0.00 43.02 41.31 3hay s PHE 35 CO 0.48 0.05 -0.12 0.45 -1.46 0.00 0.00 175.22 174.63 3hay s SER 36 N -0.99 4.26 0.29 6.13 0.15 -1.26 -5.01 113.70 117.27 3hay s SER 36 Ca 0.06 -0.23 0.23 0.00 0.70 0.00 0.00 55.95 56.71 3hay s SER 36 Cb -0.08 -0.90 1.07 0.00 -1.71 0.00 0.00 66.02 64.40 3hay s SER 36 CO 0.01 0.29 1.70 -0.81 1.20 0.00 0.00 173.24 175.63 3hay n PRO 37 N 1.73 0.18 -0.05 5.44 -0.04 -1.26 -2.28 135.00 138.72 3hay n PRO 37 Ca -0.16 0.51 -0.17 0.00 -0.04 0.00 0.00 63.50 63.64 3hay n PRO 37 Cb 0.52 -1.92 -0.14 0.00 -0.04 0.00 0.00 33.50 31.93 3hay n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hay n GLU 38 N -2.27 0.70 -3.43 0.54 1.02 -1.26 -5.05 120.64 110.89 3hay n GLU 38 Ca 0.01 0.20 -0.22 0.00 -0.02 0.00 0.00 57.16 57.13 3hay n GLU 38 Cb 0.16 -1.64 0.01 0.00 -0.02 0.00 0.00 31.44 29.95 3hay n GLU 38 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hay n ASP 39 N -3.26 -6.05 -0.09 1.62 2.03 -0.97 -4.87 116.55 104.97 3hay n ASP 39 Ca -0.34 -0.34 -0.10 0.00 0.52 0.00 0.00 54.79 54.54 3hay n ASP 39 Cb 1.04 -2.89 -0.04 0.00 -0.72 0.00 0.00 41.12 38.52 3hay n ASP 39 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hay h PRO 40 N 0.90 -0.33 -0.53 -0.67 0.13 -1.96 -2.71 132.00 126.83 3hay h PRO 40 Ca -0.41 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 3hay h PRO 40 Cb 1.27 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 3hay h PRO 40 CO 0.29 -0.22 0.08 0.66 -0.23 0.00 0.00 178.00 178.59 3hay n TYR 41 N -5.42 1.83 -0.36 1.56 4.02 -1.26 -4.67 117.16 112.87 3hay n TYR 41 Ca -0.01 -0.98 0.26 0.00 -0.01 0.00 0.00 57.90 57.16 3hay n TYR 41 Cb 0.35 -0.52 0.52 0.00 -0.02 0.00 0.00 39.34 39.67 3hay n TYR 41 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3hay h GLY 42 N 2.77 1.66 0.41 2.72 0.00 -1.83 0.19 103.07 109.01 3hay h GLY 42 Ca 0.10 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.32 3hay h GLY 42 CO 0.49 -0.36 0.31 -2.09 0.00 0.00 0.00 176.54 174.90 3hay h GLU 43 N 0.31 0.51 -0.05 4.80 4.81 -1.85 -1.97 114.58 121.14 3hay h GLU 43 Ca 0.71 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.67 3hay h GLU 43 Cb 1.80 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 31.08 3hay h GLU 43 CO -0.47 0.34 -0.93 1.88 -0.73 0.00 0.00 179.01 179.10 3hay h TYR 44 N 0.53 0.92 -0.29 0.92 -1.99 -1.00 -3.17 116.97 112.88 3hay h TYR 44 Ca 0.34 -0.47 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 3hay h TYR 44 Cb 0.40 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 3hay h TYR 44 CO -0.13 1.29 0.08 -0.09 -0.00 0.00 0.00 178.16 179.32 3hay h ARG 45 N 0.39 0.41 -0.22 4.88 2.43 -1.22 -1.81 114.38 119.25 3hay h ARG 45 Ca -0.09 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 3hay h ARG 45 Cb 1.56 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 3hay h ARG 45 CO 0.18 0.38 -0.20 0.00 -1.51 0.00 0.00 179.97 178.81 3hay h ARG 46 N 0.41 0.38 -0.12 0.20 3.08 -1.35 -2.44 114.38 114.54 3hay h ARG 46 Ca 0.10 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3hay h ARG 46 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3hay h ARG 46 CO -0.01 0.57 -0.48 -0.09 -1.07 0.00 0.00 179.97 178.89 3hay h ARG 47 N 0.35 0.32 -0.08 0.04 2.43 -1.31 -1.28 114.38 114.84 3hay h ARG 47 Ca 0.06 -0.18 -0.18 0.00 -0.81 0.00 0.00 59.98 58.87 3hay h ARG 47 Cb 0.55 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3hay h ARG 47 CO 0.04 0.73 -0.71 2.35 -1.51 0.00 0.00 179.97 180.87 3hay h TRP 48 N 0.25 0.55 0.00 2.20 7.01 -1.41 -3.15 115.95 121.40 3hay h TRP 48 Ca 0.01 -0.24 -0.06 0.00 2.11 0.00 0.00 58.89 60.71 3hay h TRP 48 Cb 0.95 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 3hay h TRP 48 CO 0.02 0.99 -0.30 -0.22 -2.79 0.00 0.00 178.44 176.14 3hay h LYS 49 N 0.28 0.00 -0.25 2.65 3.64 -1.21 -3.12 116.57 118.57 3hay h LYS 49 Ca -0.03 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3hay h LYS 49 Cb 1.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3hay h LYS 49 CO 0.12 0.30 -0.13 0.00 -2.27 0.00 0.00 179.45 177.47 3hay h ARG 50 N 0.00 0.52 -0.41 1.90 3.08 -1.20 -2.42 114.38 115.85 3hay h ARG 50 Ca -0.00 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 3hay h ARG 50 Cb 0.90 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3hay h ARG 50 CO 0.04 0.79 -0.06 1.49 -1.07 0.00 0.00 179.97 181.17 3hay h GLU 51 N 0.24 0.76 -0.12 0.04 4.81 -1.54 0.39 114.58 119.17 3hay h GLU 51 Ca 0.05 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 3hay h GLU 51 Cb 0.65 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 3hay h GLU 51 CO 0.04 0.88 -0.02 0.28 -0.73 0.00 0.00 179.01 179.46 3hay h VAL 52 N 0.59 1.28 0.00 0.32 2.07 -1.62 -2.94 116.25 115.94 3hay h VAL 52 Ca 0.11 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3hay h VAL 52 Cb 0.57 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3hay h VAL 52 CO 0.03 0.26 0.00 -0.07 0.02 0.00 0.00 177.57 177.81 3hay h LEU 53 N -0.09 0.00 -2.97 2.57 3.38 -1.45 -3.48 115.31 113.27 3hay h LEU 53 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hay h LEU 53 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hay h LEU 53 CO 0.01 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.14 3hay n GLY 54 N 0.54 -0.15 0.27 0.83 0.00 0.10 -5.06 105.19 101.71 3hay n GLY 54 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.90 3hay n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71