#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ruu s PRO 2 N 0.00 0.60 0.28 -0.72 0.04 -1.26 -5.09 135.00 128.85 1ruu s PRO 2 Ca 0.00 0.27 -0.19 0.00 0.04 0.00 0.00 61.00 61.12 1ruu s PRO 2 Cb 0.00 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1ruu s PRO 2 CO 0.00 -2.56 0.92 0.00 0.04 0.00 0.00 177.00 175.40 1ruu s ALA 3 N -3.18 -1.18 -0.19 8.56 0.00 -1.26 -5.10 121.76 119.40 1ruu s ALA 3 Ca 0.66 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 1ruu s ALA 3 Cb -0.15 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1ruu s ALA 3 CO 0.55 -1.03 0.23 1.17 0.00 0.00 0.00 175.76 176.68 1ruu n LYS 4 N -0.62 -1.26 -1.12 0.00 4.81 -1.26 -5.06 118.16 113.65 1ruu n LYS 4 Ca -0.06 1.35 -0.30 0.00 -0.87 0.00 0.00 58.31 58.44 1ruu n LYS 4 Cb 0.60 -3.43 0.22 0.00 0.02 0.00 0.00 35.03 32.44 1ruu n LYS 4 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ruu s PRO 5 N -1.57 -0.81 0.17 1.64 0.04 -1.26 -5.07 135.00 128.13 1ruu s PRO 5 Ca 0.10 0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.21 1ruu s PRO 5 Cb -0.03 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1ruu s PRO 5 CO 0.37 -3.46 0.32 -1.21 0.04 0.00 0.00 177.00 173.05 1ruu s GLU 6 N -5.31 3.46 -0.44 4.56 2.02 -1.26 -5.09 118.70 116.64 1ruu s GLU 6 Ca 0.70 -0.54 0.05 0.00 0.02 0.00 0.00 54.97 55.20 1ruu s GLU 6 Cb -0.12 -2.93 0.17 0.00 0.10 0.00 0.00 34.13 31.36 1ruu s GLU 6 CO 0.56 0.48 0.46 0.00 0.02 0.00 0.00 175.26 176.79 1ruu s ALA 7 N -1.79 0.06 0.00 5.21 0.00 -1.26 -5.04 121.76 118.94 1ruu s ALA 7 Ca 0.36 -1.62 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 1ruu s ALA 7 Cb -0.11 -2.00 -0.13 0.00 0.00 0.00 0.00 23.12 20.88 1ruu s ALA 7 CO 0.29 -2.08 2.18 -0.35 0.00 0.00 0.00 175.76 175.80 1ruu n PRO 8 N 3.07 1.11 0.00 0.00 -0.04 -1.26 -4.94 135.00 132.94 1ruu n PRO 8 Ca 0.24 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1ruu n PRO 8 Cb 0.50 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1ruu n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ruu n GLY 9 N 2.43 1.53 3.54 0.55 0.00 -1.26 -4.77 105.19 107.21 1ruu n GLY 9 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1ruu n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ruu s GLU 10 N 0.00 0.54 -0.54 1.61 -6.30 -1.26 -5.12 118.70 107.63 1ruu s GLU 10 Ca 0.00 1.30 -0.02 0.00 -2.50 0.00 0.00 54.97 53.75 1ruu s GLU 10 Cb 0.00 0.78 0.14 0.00 0.00 0.00 0.00 34.13 35.05 1ruu s GLU 10 CO 0.00 -0.25 0.34 -0.51 0.02 0.00 0.00 175.26 174.86 1ruu s ASP 11 N 2.85 5.16 -0.61 -1.70 1.11 -1.26 -5.00 116.67 117.22 1ruu s ASP 11 Ca -0.02 -2.60 -0.05 0.00 0.18 0.00 0.00 52.55 50.07 1ruu s ASP 11 Cb -0.12 -1.82 -0.07 0.00 1.07 0.00 0.00 42.92 41.98 1ruu s ASP 11 CO -0.19 -0.41 2.01 0.00 1.18 0.00 0.00 175.17 177.76 1ruu n ALA 12 N 3.82 4.15 -2.88 5.23 0.00 -1.26 -4.58 120.51 124.99 1ruu n ALA 12 Ca 0.04 -1.55 -0.12 0.00 0.00 0.00 0.00 53.44 51.81 1ruu n ALA 12 Cb 0.39 -2.77 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 1ruu n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ruu s SER 13 N 3.30 0.23 1.23 0.00 0.15 -1.26 -5.13 113.70 112.22 1ruu s SER 13 Ca 0.35 -0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.63 1ruu s SER 13 Cb 0.11 0.01 0.30 0.00 -1.71 0.00 0.00 66.02 64.73 1ruu s SER 13 CO -0.02 -0.08 1.10 -2.16 1.20 0.00 0.00 173.24 173.28 1ruu s PRO 14 N -0.48 -1.41 -0.69 5.44 0.04 -1.26 -3.15 135.00 133.48 1ruu s PRO 14 Ca -0.04 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1ruu s PRO 14 Cb -0.03 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1ruu s PRO 14 CO -0.00 -3.84 0.00 0.39 0.04 0.00 0.00 177.00 173.59 1ruu n GLU 15 N -4.85 -1.07 0.05 4.56 1.02 -1.26 -4.53 120.64 114.56 1ruu n GLU 15 Ca 0.13 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1ruu n GLU 15 Cb 0.60 -4.62 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 1ruu n GLU 15 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ruu n GLU 16 N -1.58 0.00 0.51 3.49 1.02 -1.26 -4.89 120.64 117.93 1ruu n GLU 16 Ca -0.07 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.87 1ruu n GLU 16 Cb 0.37 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.69 1ruu n GLU 16 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ruu h LEU 17 N 0.00 -1.10 -2.69 -4.62 5.85 -1.78 -2.88 115.31 108.09 1ruu h LEU 17 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ruu h LEU 17 Cb 0.00 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ruu h LEU 17 CO 0.00 -0.77 0.00 0.28 -0.34 0.00 0.00 178.44 177.61 1ruu h SER 18 N -1.34 0.00 -0.87 1.25 0.02 -1.93 -0.09 113.55 110.59 1ruu h SER 18 Ca -0.13 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1ruu h SER 18 Cb 1.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 1ruu h SER 18 CO 0.22 0.00 0.57 -0.09 -1.14 0.00 0.00 176.83 176.39 1ruu h ARG 19 N 0.00 1.04 -0.22 3.45 1.12 -1.85 0.59 114.38 118.51 1ruu h ARG 19 Ca 0.00 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.76 1ruu h ARG 19 Cb 0.03 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 29.75 1ruu h ARG 19 CO 0.00 0.69 -0.03 1.88 -3.11 0.00 0.00 179.97 179.40 1ruu h TYR 20 N 1.07 0.46 -0.11 2.20 0.05 -1.03 -0.99 116.97 118.64 1ruu h TYR 20 Ca 0.35 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 59.04 1ruu h TYR 20 Cb 0.05 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1ruu h TYR 20 CO -0.00 0.63 0.06 -0.92 -1.05 0.00 0.00 178.16 176.88 1ruu h TYR 21 N 0.16 0.14 -0.94 4.88 3.20 -1.47 0.94 116.97 123.88 1ruu h TYR 21 Ca 0.06 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1ruu h TYR 21 Cb 0.47 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1ruu h TYR 21 CO 0.05 0.13 0.56 0.00 -1.64 0.00 0.00 178.16 177.25 1ruu h ALA 22 N 0.99 1.20 -0.11 1.82 0.00 -0.91 0.23 119.26 122.49 1ruu h ALA 22 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ruu h ALA 22 Cb 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1ruu h ALA 22 CO -0.01 0.67 0.03 1.03 0.00 0.00 0.00 179.25 180.97 1ruu h SER 23 N 1.30 0.17 -0.06 0.00 0.87 -0.89 -2.59 113.55 112.36 1ruu h SER 23 Ca 0.34 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1ruu h SER 23 Cb -0.04 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1ruu h SER 23 CO -0.06 0.36 -0.19 0.25 -0.53 0.00 0.00 176.83 176.66 1ruu h LEU 24 N -0.02 0.43 -1.72 2.23 6.46 -0.61 -1.72 115.31 120.36 1ruu h LEU 24 Ca 0.04 -0.12 0.10 0.00 -0.12 0.00 0.00 57.88 57.77 1ruu h LEU 24 Cb 0.25 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 1ruu h LEU 24 CO 0.00 0.63 0.37 -0.09 -0.62 0.00 0.00 178.44 178.73 1ruu h ARG 25 N 0.40 0.31 0.88 1.25 2.43 -0.47 -2.20 114.38 116.97 1ruu h ARG 25 Ca 0.07 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1ruu h ARG 25 Cb 0.56 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1ruu h ARG 25 CO 0.04 0.20 -0.45 1.25 -1.51 0.00 0.00 179.97 179.50 1ruu h HIS 26 N 0.32 -1.19 -0.35 2.20 2.76 -0.90 0.30 115.15 118.28 1ruu h HIS 26 Ca 0.25 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.46 1ruu h HIS 26 Cb 0.57 0.40 -0.06 0.00 1.55 0.00 0.00 27.41 29.88 1ruu h HIS 26 CO -0.00 -0.72 0.01 -0.92 -1.30 0.00 0.00 177.93 175.00 1ruu h TYR 27 N -1.22 0.00 -0.03 5.26 3.20 -1.62 -0.43 116.97 122.13 1ruu h TYR 27 Ca -0.12 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.78 1ruu h TYR 27 Cb 0.95 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1ruu h TYR 27 CO -0.02 -0.05 0.08 1.25 -1.64 0.00 0.00 178.16 177.78 1ruu h LEU 28 N 0.11 0.00 0.12 2.82 5.85 -1.28 -0.99 115.31 121.94 1ruu h LEU 28 Ca 0.17 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1ruu h LEU 28 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1ruu h LEU 28 CO -0.28 0.00 -0.06 -1.13 -0.34 0.00 0.00 178.44 176.63 1ruu h ASN 29 N 0.00 -0.14 0.78 1.25 -0.73 0.79 -0.70 115.58 116.84 1ruu h ASN 29 Ca 0.01 -0.39 0.00 0.00 1.87 0.00 0.00 56.30 57.80 1ruu h ASN 29 Cb 0.17 0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.80 1ruu h ASN 29 CO -0.00 0.47 0.00 0.17 -0.37 0.00 0.00 177.43 177.70 1ruu h LEU 30 N -0.91 0.00 0.00 0.34 8.10 -1.22 -1.43 115.31 120.18 1ruu h LEU 30 Ca -0.02 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.77 1ruu h LEU 30 Cb 0.52 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.71 1ruu h LEU 30 CO 0.03 0.00 -1.14 0.58 -4.11 0.00 0.00 178.44 173.79 1ruu h VAL 31 N 0.00 1.12 0.13 0.15 2.07 -1.23 -3.31 116.25 115.17 1ruu h VAL 31 Ca 0.00 -2.76 -0.21 0.00 0.82 0.00 0.00 66.70 64.55 1ruu h VAL 31 Cb 0.39 2.52 0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1ruu h VAL 31 CO 0.00 0.64 -0.91 0.71 0.02 0.00 0.00 177.57 178.03 1ruu h THR 32 N 0.00 1.44 -0.83 2.57 1.35 -0.71 -3.32 112.91 113.42 1ruu h THR 32 Ca -0.10 -2.46 0.20 0.00 -0.55 0.00 0.00 66.41 63.50 1ruu h THR 32 Cb 1.72 3.01 -0.12 0.00 -1.73 0.00 0.00 68.15 71.03 1ruu h THR 32 CO 0.09 0.71 0.29 0.03 -0.25 0.00 0.00 175.52 176.39 1ruu h ARG 33 N -0.18 0.32 0.00 4.72 3.08 -1.41 0.24 114.38 121.14 1ruu h ARG 33 Ca -0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1ruu h ARG 33 Cb 1.68 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1ruu h ARG 33 CO 0.17 0.21 0.00 -0.56 -1.07 0.00 0.00 179.97 178.72 1ruu h GLN 34 N 0.33 0.00 -0.29 0.04 -0.00 -1.70 -2.94 115.11 110.55 1ruu h GLN 34 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.15 1ruu h GLN 34 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.40 1ruu h GLN 34 CO -0.54 0.00 0.00 0.54 -0.00 0.00 0.00 178.83 178.83 1ruu n ARG 35 N -2.65 2.89 0.00 0.06 1.74 0.54 -5.14 116.66 114.10 1ruu n ARG 35 Ca 0.02 -1.98 0.15 0.00 -0.77 0.00 0.00 57.85 55.27 1ruu n ARG 35 Cb 0.28 -1.23 0.74 0.00 -1.02 0.00 0.00 32.46 31.23 1ruu n ARG 35 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09