#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aus s ILE 5 N 0.00 4.26 0.31 0.55 1.01 -1.26 -4.48 121.20 121.59 2aus s ILE 5 Ca 0.00 1.53 0.08 0.00 0.00 0.00 0.00 60.65 62.27 2aus s ILE 5 Cb 0.00 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 2aus s ILE 5 CO 0.00 -0.12 -0.09 -0.13 0.00 0.00 0.00 174.94 174.60 2aus s ARG 6 N 3.34 1.69 -0.00 2.79 0.52 0.79 -0.76 118.95 127.32 2aus s ARG 6 Ca 0.55 -1.86 -0.04 0.00 -0.52 0.00 0.00 55.73 53.87 2aus s ARG 6 Cb -0.22 -1.48 -0.00 0.00 0.52 0.00 0.00 34.95 33.77 2aus s ARG 6 CO 0.16 0.11 0.07 0.21 0.02 0.00 0.00 175.30 175.87 2aus s LYS 7 N -3.65 0.32 -0.17 3.54 2.20 0.98 -0.35 119.74 122.62 2aus s LYS 7 Ca 0.31 -0.32 -0.22 0.00 -0.36 0.00 0.00 55.97 55.38 2aus s LYS 7 Cb 0.02 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 2aus s LYS 7 CO 0.14 -0.07 0.66 0.00 -0.36 0.00 0.00 175.35 175.73 2aus h PRO 9 N 7.29 0.00 0.00 0.00 0.11 -1.91 -0.27 132.00 137.21 2aus h PRO 9 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2aus h PRO 9 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2aus h PRO 9 CO 0.78 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.20 2aus n LYS 10 N -3.20 0.00 0.00 1.05 4.76 -1.26 -4.53 118.16 114.99 2aus n LYS 10 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.52 2aus n LYS 10 Cb 0.39 0.00 0.38 0.00 -1.84 0.00 0.00 35.03 33.96 2aus n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2aus n GLY 12 N 0.00 0.85 3.74 0.00 0.00 -0.11 -4.97 105.19 104.70 2aus n GLY 12 Ca 0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2aus n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aus s ARG 13 N -3.36 4.38 0.01 1.61 6.06 -1.25 -4.65 118.95 121.75 2aus s ARG 13 Ca 0.00 2.10 -0.19 0.00 -2.50 0.00 0.00 55.73 55.14 2aus s ARG 13 Cb 0.00 -3.17 -0.06 0.00 0.06 0.00 0.00 34.95 31.79 2aus s ARG 13 CO 0.00 -0.25 0.54 0.71 -2.50 0.00 0.00 175.30 173.81 2aus s TYR 14 N -0.12 3.71 0.24 5.12 2.02 -1.26 -1.08 117.35 125.98 2aus s TYR 14 Ca 0.56 1.16 -0.21 0.00 -0.37 0.00 0.00 57.07 58.20 2aus s TYR 14 Cb -0.37 -2.52 0.04 0.00 -0.40 0.00 0.00 41.96 38.70 2aus s TYR 14 CO 0.41 0.45 0.67 -0.08 -1.57 0.00 0.00 175.55 175.43 2aus s THR 15 N -0.53 0.00 -0.32 -0.71 -1.32 0.53 -4.98 115.64 108.31 2aus s THR 15 Ca 0.29 -0.67 0.20 0.00 -1.21 0.00 0.00 61.69 60.29 2aus s THR 15 Cb -0.18 -1.66 -0.28 0.00 -1.51 0.00 0.00 72.50 68.87 2aus s THR 15 CO 0.16 -0.00 0.57 0.18 -2.21 0.00 0.00 174.62 173.32 2aus n LEU 16 N -0.43 0.30 -4.78 9.08 4.77 -1.26 -0.15 117.00 124.54 2aus n LEU 16 Ca -0.08 -0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.40 2aus n LEU 16 Cb 0.61 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2aus n LEU 16 CO 0.14 0.08 0.74 -0.54 -1.33 0.00 0.00 177.39 176.48 2aus s LYS 17 N -3.21 3.07 0.30 3.23 1.02 -1.26 -4.82 119.74 118.07 2aus s LYS 17 Ca -0.02 1.37 0.15 0.00 0.02 0.00 0.00 55.97 57.48 2aus s LYS 17 Cb 0.13 -1.99 0.36 0.00 -0.52 0.00 0.00 37.83 35.81 2aus s LYS 17 CO 0.82 -1.03 1.58 0.93 -0.92 0.00 0.00 175.35 176.73 2aus h GLU 18 N 0.38 0.00 -5.25 1.68 4.39 -1.94 -3.43 114.58 110.41 2aus h GLU 18 Ca -0.47 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.55 2aus h GLU 18 Cb 1.24 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 29.56 2aus h GLU 18 CO 0.56 0.53 -0.87 0.99 -1.16 0.00 0.00 179.01 179.05 2aus s THR 19 N -3.32 2.09 0.16 1.13 2.01 -1.26 -0.55 115.64 115.90 2aus s THR 19 Ca 0.01 -0.98 -0.34 0.00 0.31 0.00 0.00 61.69 60.69 2aus s THR 19 Cb 0.10 -1.82 -0.14 0.00 0.01 0.00 0.00 72.50 70.65 2aus s THR 19 CO 0.73 0.55 1.55 0.00 -0.69 0.00 0.00 174.62 176.76 2aus h PRO 21 N 5.71 0.32 0.00 0.00 0.13 -1.95 -1.09 132.00 135.12 2aus h PRO 21 Ca -0.45 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2aus h PRO 21 Cb 1.26 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2aus h PRO 21 CO 0.87 0.78 -1.01 1.33 -0.23 0.00 0.00 178.00 179.75 2aus n VAL 22 N -3.92 0.34 -0.01 1.56 0.24 -1.26 -4.61 118.33 110.67 2aus n VAL 22 Ca -0.02 -0.37 -0.01 0.00 -2.04 0.00 0.00 64.34 61.90 2aus n VAL 22 Cb 0.59 -0.06 -0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2aus n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aus n GLY 24 N 3.44 0.22 3.50 0.00 0.00 -0.41 -5.02 105.19 106.92 2aus n GLY 24 Ca -0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 2aus n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aus s GLU 25 N -2.59 1.04 -0.04 1.61 2.12 -1.26 -4.89 118.70 114.70 2aus s GLU 25 Ca 0.00 0.20 -0.30 0.00 0.36 0.00 0.00 54.97 55.24 2aus s GLU 25 Cb 0.00 0.49 -0.07 0.00 0.26 0.00 0.00 34.13 34.81 2aus s GLU 25 CO 0.00 -0.33 1.95 0.21 -0.54 0.00 0.00 175.26 176.55 2aus s LYS 26 N -1.30 3.94 0.64 4.30 2.20 -1.26 -0.18 119.74 128.08 2aus s LYS 26 Ca -0.11 2.39 -0.11 0.00 -0.36 0.00 0.00 55.97 57.78 2aus s LYS 26 Cb -0.00 -4.17 -0.02 0.00 -1.51 0.00 0.00 37.83 32.13 2aus s LYS 26 CO 0.09 -1.18 1.03 0.95 -0.36 0.00 0.00 175.35 175.89 2aus s THR 27 N 5.17 4.27 0.19 3.43 -4.23 0.29 -4.75 115.64 120.00 2aus s THR 27 Ca 0.88 0.67 0.08 0.00 -1.18 0.00 0.00 61.69 62.14 2aus s THR 27 Cb -0.38 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 2aus s THR 27 CO 0.38 -0.93 -0.16 -0.75 -0.54 0.00 0.00 174.62 172.62 2aus s LYS 28 N -5.21 1.30 0.06 3.99 2.47 -0.25 -4.88 119.74 117.22 2aus s LYS 28 Ca 0.56 -1.52 -0.36 0.00 -1.56 0.00 0.00 55.97 53.09 2aus s LYS 28 Cb -0.11 -1.19 -0.16 0.00 -1.46 0.00 0.00 37.83 34.91 2aus s LYS 28 CO 0.52 0.21 1.47 1.33 0.16 0.00 0.00 175.35 179.05 2aus n VAL 29 N -0.12 0.06 -0.93 4.02 0.24 -1.26 -0.01 118.33 120.33 2aus n VAL 29 Ca -0.10 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.34 62.01 2aus n VAL 29 Cb 0.59 -1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 31.76 2aus n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aus n ALA 30 N 3.25 5.84 -3.60 2.33 0.00 0.06 -4.69 120.51 123.71 2aus n ALA 30 Ca 0.19 -2.04 -0.13 0.00 0.00 0.00 0.00 53.44 51.46 2aus n ALA 30 Cb 0.21 -2.65 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 2aus n ALA 30 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2aus s HIS 31 N 1.82 -0.57 0.66 0.00 -3.43 -1.26 -4.96 115.29 107.55 2aus s HIS 31 Ca 0.57 1.22 -0.17 0.00 -0.80 0.00 0.00 55.06 55.88 2aus s HIS 31 Cb 0.22 0.37 -0.00 0.00 -1.43 0.00 0.00 32.58 31.74 2aus s HIS 31 CO -0.02 -0.38 1.18 -1.25 -2.00 0.00 0.00 174.74 172.28 2aus s PRO 32 N -0.37 2.63 0.69 -0.38 0.04 -1.26 -4.98 135.00 131.38 2aus s PRO 32 Ca -0.02 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 2aus s PRO 32 Cb -0.03 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2aus s PRO 32 CO 0.01 -1.44 0.89 -2.30 0.04 0.00 0.00 177.00 174.19 2aus n PRO 33 N -2.19 0.56 -1.91 0.56 -0.02 -1.26 -4.93 135.00 125.80 2aus n PRO 33 Ca 0.13 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.47 2aus n PRO 33 Cb 0.50 -2.13 0.03 0.00 -0.02 0.00 0.00 33.50 31.88 2aus n PRO 33 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aus s ARG 34 N -3.09 3.16 0.05 -0.52 1.81 -1.26 -5.00 118.95 114.09 2aus s ARG 34 Ca 0.73 2.05 0.02 0.00 -1.72 0.00 0.00 55.73 56.80 2aus s ARG 34 Cb -0.36 -2.17 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 2aus s ARG 34 CO 0.51 -1.12 0.08 0.12 -0.68 0.00 0.00 175.30 174.21 2aus s PHE 35 N -1.41 3.22 -0.10 -0.53 5.36 -1.26 -5.11 117.98 118.14 2aus s PHE 35 Ca 0.72 0.12 -0.08 0.00 -0.96 0.00 0.00 56.93 56.74 2aus s PHE 35 Cb -0.36 -1.66 0.03 0.00 -0.34 0.00 0.00 43.02 40.69 2aus s PHE 35 CO 0.41 0.53 0.26 0.45 -1.46 0.00 0.00 175.22 175.41 2aus s SER 36 N -2.12 -0.28 0.44 6.13 0.15 -1.26 -5.03 113.70 111.73 2aus s SER 36 Ca 0.27 0.54 0.30 0.00 0.70 0.00 0.00 55.95 57.75 2aus s SER 36 Cb -0.12 0.51 1.59 0.00 -1.71 0.00 0.00 66.02 66.29 2aus s SER 36 CO 0.19 -0.11 1.91 1.55 1.20 0.00 0.00 173.24 177.98 2aus h PRO 37 N 6.16 0.00 0.22 5.44 0.13 -2.07 -3.06 132.00 138.81 2aus h PRO 37 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2aus h PRO 37 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2aus h PRO 37 CO 0.35 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 178.95 2aus h GLU 38 N 0.00 -0.28 -5.87 0.86 5.08 -2.04 -3.48 114.58 108.86 2aus h GLU 38 Ca 0.00 0.02 -0.35 0.00 -1.00 0.00 0.00 59.36 58.03 2aus h GLU 38 Cb 0.03 0.06 0.14 0.00 0.50 0.00 0.00 28.75 29.49 2aus h GLU 38 CO 0.00 -0.19 -0.90 -3.47 -1.00 0.00 0.00 179.01 173.45 2aus n ASP 39 N -3.73 -5.80 -0.09 1.42 2.03 -1.16 -4.89 116.55 104.32 2aus n ASP 39 Ca -0.04 -0.87 0.08 0.00 0.52 0.00 0.00 54.79 54.48 2aus n ASP 39 Cb 0.11 -4.24 0.43 0.00 -0.72 0.00 0.00 41.12 36.70 2aus n ASP 39 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2aus h PRO 40 N -1.53 0.56 -0.57 -0.67 0.11 -1.93 -2.09 132.00 125.88 2aus h PRO 40 Ca -0.64 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.44 2aus h PRO 40 Cb 1.34 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2aus h PRO 40 CO 0.46 0.37 0.00 0.66 -0.21 0.00 0.00 178.00 179.28 2aus n TYR 41 N -4.47 0.78 -0.15 0.65 4.01 -1.26 -4.47 117.16 112.24 2aus n TYR 41 Ca 0.08 -0.38 -0.03 0.00 -0.16 0.00 0.00 57.90 57.41 2aus n TYR 41 Cb 0.23 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.29 2aus n TYR 41 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2aus h GLY 42 N 4.76 0.41 1.32 2.72 0.00 -1.73 0.22 103.07 110.77 2aus h GLY 42 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2aus h GLY 42 CO 0.01 -0.17 0.14 0.83 0.00 0.00 0.00 176.54 177.36 2aus h GLU 43 N 0.04 0.85 0.44 4.80 5.08 -1.82 -1.12 114.58 122.85 2aus h GLU 43 Ca 0.24 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2aus h GLU 43 Cb 0.36 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2aus h GLU 43 CO -0.46 0.76 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.18 2aus h TYR 44 N 0.82 -0.55 0.00 4.33 3.20 -1.30 -1.99 116.97 121.48 2aus h TYR 44 Ca 0.18 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2aus h TYR 44 Cb 0.29 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2aus h TYR 44 CO 0.02 -0.24 -0.24 0.07 -1.64 0.00 0.00 178.16 176.13 2aus h ARG 45 N -0.82 0.00 -0.21 1.82 0.11 -0.62 -1.32 114.38 113.34 2aus h ARG 45 Ca -0.06 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 2aus h ARG 45 Cb 0.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2aus h ARG 45 CO 0.10 0.24 -0.22 0.00 0.10 0.00 0.00 179.97 180.18 2aus h ARG 46 N 0.00 0.37 -0.07 0.08 3.08 -1.11 -1.51 114.38 115.22 2aus h ARG 46 Ca -0.00 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 2aus h ARG 46 Cb 0.45 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2aus h ARG 46 CO 0.03 0.58 -0.42 -0.09 -1.07 0.00 0.00 179.97 179.00 2aus h ARG 47 N 0.33 0.15 -0.28 0.04 2.43 -0.47 0.96 114.38 117.53 2aus h ARG 47 Ca 0.05 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 2aus h ARG 47 Cb 0.58 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2aus h ARG 47 CO 0.04 0.55 -0.47 -0.07 -1.51 0.00 0.00 179.97 178.51 2aus h LEU 48 N 0.12 0.82 0.00 3.80 3.38 -0.93 -2.33 115.31 120.18 2aus h LEU 48 Ca 0.01 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2aus h LEU 48 Cb 0.80 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2aus h LEU 48 CO 0.06 1.16 -0.01 0.11 0.09 0.00 0.00 178.44 179.85 2aus h LYS 49 N 0.60 0.00 0.00 1.13 1.57 -0.96 0.23 116.57 119.14 2aus h LYS 49 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2aus h LYS 49 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2aus h LYS 49 CO 0.10 0.88 0.15 -2.13 -0.57 0.00 0.00 179.45 177.89 2aus n ARG 50 N -4.66 0.06 -0.05 3.15 0.63 0.33 0.50 116.66 116.61 2aus n ARG 50 Ca -0.10 0.50 -0.05 0.00 -0.92 0.00 0.00 57.85 57.28 2aus n ARG 50 Cb 0.43 -1.85 -0.08 0.00 0.45 0.00 0.00 32.46 31.41 2aus n ARG 50 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2aus n GLU 51 N -1.78 2.24 0.11 -0.14 2.13 -0.88 -0.39 120.64 121.93 2aus n GLU 51 Ca -0.01 -0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.94 2aus n GLU 51 Cb 0.17 -1.27 0.39 0.00 0.27 0.00 0.00 31.44 31.00 2aus n GLU 51 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2aus n LEU 52 N -2.40 0.85 -0.00 4.31 0.00 0.81 -3.20 117.00 117.36 2aus n LEU 52 Ca -0.17 0.58 0.07 0.00 0.00 0.00 0.00 56.01 56.48 2aus n LEU 52 Cb 0.84 -0.31 -0.10 0.00 0.00 0.00 0.00 43.42 43.86 2aus n LEU 52 CO 0.22 -0.19 -0.51 0.18 0.00 0.00 0.00 177.39 177.09 2aus n LEU 53 N -2.29 0.14 -1.59 -1.96 4.77 0.18 -5.04 117.00 111.21 2aus n LEU 53 Ca 0.05 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.91 2aus n LEU 53 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2aus n LEU 53 CO 0.31 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2aus n GLY 54 N 1.64 -0.72 0.00 -0.72 0.00 -1.19 -5.04 105.19 99.15 2aus n GLY 54 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2aus n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2aus n ILE 55 N -0.50 0.00 0.00 -0.61 5.41 0.48 -4.99 119.36 119.15 2aus n ILE 55 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2aus n ILE 55 Cb 0.04 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 2aus n ILE 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16