#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s GLY 2 N 0.00 2.90 0.00 3.41 0.00 -1.26 -4.90 107.32 107.47 1qvg s GLY 2 Ca 0.00 0.99 0.27 0.00 0.00 0.00 0.00 44.72 45.98 1qvg s GLY 2 CO 0.00 1.72 1.93 0.00 0.00 0.00 0.00 173.10 176.75 1qvg n ALA 3 N 1.60 2.38 -1.39 3.20 0.00 -1.26 -3.18 120.51 121.86 1qvg n ALA 3 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1qvg n ALA 3 Cb 0.44 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1qvg n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvg n GLY 4 N 0.93 0.83 0.33 0.00 0.00 -1.26 -4.53 105.19 101.48 1qvg n GLY 4 Ca 0.14 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1qvg n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qvg n THR 5 N 0.00 -0.53 0.27 2.61 -1.04 -1.26 0.40 114.28 114.72 1qvg n THR 5 Ca 0.00 1.93 0.15 0.00 -2.04 0.00 0.00 64.05 64.09 1qvg n THR 5 Cb 0.00 -2.41 0.82 0.00 -1.82 0.00 0.00 70.33 66.92 1qvg n THR 5 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1qvg h PRO 6 N 0.00 0.00 -0.12 -2.82 0.13 -1.91 0.40 132.00 127.68 1qvg h PRO 6 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1qvg h PRO 6 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1qvg h PRO 6 CO -0.76 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 177.44 1qvg n SER 7 N -2.66 3.09 0.18 1.44 7.64 0.16 -3.99 113.62 119.48 1qvg n SER 7 Ca -0.02 -1.99 0.11 0.00 1.01 0.00 0.00 58.87 57.99 1qvg n SER 7 Cb 0.19 -0.06 0.11 0.00 -1.01 0.00 0.00 64.21 63.44 1qvg n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1qvg h GLN 8 N 4.61 0.00 -0.06 1.43 1.08 0.10 -3.36 115.11 118.91 1qvg h GLN 8 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1qvg h GLN 8 Cb 0.99 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 1qvg h GLN 8 CO 0.00 0.02 -0.13 0.78 -0.95 0.00 0.00 178.83 178.55 1qvg h GLY 9 N 3.98 0.09 1.26 3.46 0.00 -1.69 -2.93 103.07 107.23 1qvg h GLY 9 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1qvg h GLY 9 CO 0.00 0.05 -0.03 0.28 0.00 0.00 0.00 176.54 176.84 1qvg n LYS 10 N -4.35 0.62 -1.50 4.80 5.02 -1.26 -4.62 118.16 116.88 1qvg n LYS 10 Ca -0.02 -0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 1qvg n LYS 10 Cb 0.22 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1qvg n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1qvg n LYS 11 N -1.12 2.40 -0.63 1.97 5.02 -1.11 -4.49 118.16 120.20 1qvg n LYS 11 Ca 0.16 -2.31 0.03 0.00 -2.02 0.00 0.00 58.31 54.18 1qvg n LYS 11 Cb 0.23 -3.13 0.20 0.00 -0.02 0.00 0.00 35.03 32.31 1qvg n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1qvg n ASN 12 N 6.45 2.01 -4.92 4.39 6.94 -1.26 -5.02 115.26 123.84 1qvg n ASN 12 Ca 0.52 -3.81 -0.31 0.00 -0.02 0.00 0.00 54.58 50.96 1qvg n ASN 12 Cb 0.38 -0.56 -0.04 0.00 -2.36 0.00 0.00 39.78 37.21 1qvg n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1qvg s THR 13 N -3.21 5.33 -0.14 5.53 2.01 -1.26 -5.10 115.64 118.79 1qvg s THR 13 Ca 0.40 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 1qvg s THR 13 Cb 0.37 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1qvg s THR 13 CO -0.04 0.10 0.02 -0.89 -0.69 0.00 0.00 174.62 173.11 1qvg s THR 14 N -1.57 4.39 0.00 -0.82 2.01 -1.26 -5.01 115.64 113.39 1qvg s THR 14 Ca 0.36 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1qvg s THR 14 Cb -0.13 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1qvg s THR 14 CO 0.27 0.52 0.00 0.35 -0.69 0.00 0.00 174.62 175.07 1qvg n THR 15 N 3.06 0.00 -2.25 -0.82 -2.24 -1.26 -4.79 114.28 105.99 1qvg n THR 15 Ca -0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 1qvg n THR 15 Cb 0.53 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1qvg n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1qvg s HIS 16 N 0.00 2.43 0.45 4.78 3.76 -1.25 0.34 115.29 125.79 1qvg s HIS 16 Ca 0.00 0.67 0.04 0.00 -0.15 0.00 0.00 55.06 55.63 1qvg s HIS 16 Cb 0.00 -3.79 -0.05 0.00 1.11 0.00 0.00 32.58 29.86 1qvg s HIS 16 CO 0.00 -2.53 0.02 0.95 -0.85 0.00 0.00 174.74 172.33 1qvg s THR 17 N 4.20 1.52 0.06 1.30 -4.23 0.53 -4.68 115.64 114.33 1qvg s THR 17 Ca 0.64 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.84 1qvg s THR 17 Cb -0.24 -2.60 -0.10 0.00 1.34 0.00 0.00 72.50 70.90 1qvg s THR 17 CO 0.23 0.00 1.93 1.17 -0.54 0.00 0.00 174.62 177.41 1qvg n LYS 18 N -1.07 2.81 -2.58 3.99 3.00 -1.26 0.89 118.16 123.94 1qvg n LYS 18 Ca -0.11 1.03 -0.43 0.00 -0.00 0.00 0.00 58.31 58.80 1qvg n LYS 18 Cb 0.67 -2.96 -0.02 0.00 0.00 0.00 0.00 35.03 32.72 1qvg n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qvg h ARG 20 N 7.65 0.35 0.12 0.00 2.43 -1.91 0.14 114.38 123.17 1qvg h ARG 20 Ca -0.23 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.73 1qvg h ARG 20 Cb 1.09 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1qvg h ARG 20 CO 0.96 0.23 -0.83 -0.09 -1.51 0.00 0.00 179.97 178.73 1qvg h ARG 21 N 0.36 0.26 -0.00 0.20 2.43 -1.96 -3.41 114.38 112.26 1qvg h ARG 21 Ca 0.40 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1qvg h ARG 21 Cb 1.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1qvg h ARG 21 CO -0.12 1.21 -0.08 0.00 -1.51 0.00 0.00 179.97 179.48 1qvg n GLY 23 N 0.64 0.72 3.87 0.00 0.00 0.49 -4.98 105.19 105.93 1qvg n GLY 23 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1qvg n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qvg s GLU 24 N -0.23 3.84 -1.38 1.61 0.41 -1.26 -4.57 118.70 117.11 1qvg s GLU 24 Ca 0.00 0.58 -0.10 0.00 -0.41 0.00 0.00 54.97 55.05 1qvg s GLU 24 Cb 0.00 -2.35 0.09 0.00 -1.78 0.00 0.00 34.13 30.09 1qvg s GLU 24 CO 0.00 -0.05 2.25 1.17 -0.49 0.00 0.00 175.26 178.14 1qvg n LYS 25 N -1.22 3.70 -0.08 1.61 4.81 -1.26 0.69 118.16 126.41 1qvg n LYS 25 Ca 0.03 -3.10 0.01 0.00 -0.87 0.00 0.00 58.31 54.38 1qvg n LYS 25 Cb 0.54 -2.92 0.01 0.00 0.02 0.00 0.00 35.03 32.68 1qvg n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1qvg n SER 26 N 3.80 0.74 -4.60 3.14 7.64 -0.32 -4.31 113.62 119.71 1qvg n SER 26 Ca 0.54 -1.60 -0.43 0.00 1.01 0.00 0.00 58.87 58.39 1qvg n SER 26 Cb 0.32 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 1qvg n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1qvg s TYR 27 N -0.51 2.94 -0.58 1.43 5.04 0.26 -1.62 117.35 124.30 1qvg s TYR 27 Ca 0.03 0.77 -0.28 0.00 -2.44 0.00 0.00 57.07 55.16 1qvg s TYR 27 Cb 0.02 -4.10 0.01 0.00 0.35 0.00 0.00 41.96 38.25 1qvg s TYR 27 CO 0.00 -1.08 1.49 -1.58 -1.34 0.00 0.00 175.55 173.05 1qvg s HIS 28 N 4.04 2.15 -1.22 4.97 5.65 0.02 0.20 115.29 131.10 1qvg s HIS 28 Ca 0.44 0.46 0.07 0.00 0.25 0.00 0.00 55.06 56.28 1qvg s HIS 28 Cb -0.09 -4.36 0.33 0.00 -1.18 0.00 0.00 32.58 27.28 1qvg s HIS 28 CO 0.26 -2.09 1.16 -2.37 -0.65 0.00 0.00 174.74 171.04 1qvg n THR 29 N 6.88 1.19 -0.07 0.89 5.66 0.15 0.24 114.28 129.22 1qvg n THR 29 Ca 0.13 0.30 -0.15 0.00 -3.05 0.00 0.00 64.05 61.27 1qvg n THR 29 Cb 0.50 -1.18 -0.14 0.00 -1.55 0.00 0.00 70.33 67.96 1qvg n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1qvg n LYS 30 N -1.39 0.68 0.08 1.09 4.76 -1.26 -4.37 118.16 117.75 1qvg n LYS 30 Ca 0.03 0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.71 1qvg n LYS 30 Cb 0.07 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.63 1qvg n LYS 30 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1qvg n LYS 31 N -3.15 0.61 -3.65 1.97 5.02 -0.60 -4.97 118.16 113.40 1qvg n LYS 31 Ca -0.35 0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 55.88 1qvg n LYS 31 Cb 1.06 -1.82 0.05 0.00 -0.02 0.00 0.00 35.03 34.30 1qvg n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1qvg n LYS 32 N -2.73 -5.63 -3.73 1.97 4.76 0.66 -4.98 118.16 108.47 1qvg n LYS 32 Ca -0.03 0.69 -0.12 0.00 -2.87 0.00 0.00 58.31 55.98 1qvg n LYS 32 Cb 0.63 -5.44 -0.11 0.00 -1.84 0.00 0.00 35.03 28.27 1qvg n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qvg s VAL 33 N -3.53 -0.01 -0.12 -0.18 1.01 -1.19 -4.56 120.40 111.82 1qvg s VAL 33 Ca 0.11 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 1qvg s VAL 33 Cb -0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1qvg s VAL 33 CO 0.79 0.02 0.50 0.00 0.00 0.00 0.00 175.10 176.40 1qvg n SER 35 N 3.72 0.51 -0.11 0.00 3.41 -0.64 -2.27 113.62 118.24 1qvg n SER 35 Ca -0.06 0.58 -0.19 0.00 -0.26 0.00 0.00 58.87 58.93 1qvg n SER 35 Cb 0.52 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 1qvg n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qvg n SER 36 N -2.01 1.93 -0.48 4.04 2.88 -1.26 -4.71 113.62 114.01 1qvg n SER 36 Ca 0.04 0.37 0.10 0.00 -1.33 0.00 0.00 58.87 58.05 1qvg n SER 36 Cb 0.32 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1qvg n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qvg n GLY 38 N 1.30 0.77 3.69 0.00 0.00 -0.96 -1.20 105.19 108.79 1qvg n GLY 38 Ca 0.08 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.59 1qvg n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qvg n PHE 39 N -2.30 2.23 0.00 1.61 7.35 -1.26 -0.78 117.46 124.31 1qvg n PHE 39 Ca 0.00 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 1qvg n PHE 39 Cb 0.01 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.25 1qvg n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qvg n GLY 40 N 4.32 0.68 0.40 7.13 0.00 -1.26 -1.48 105.19 114.97 1qvg n GLY 40 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1qvg n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qvg n LYS 41 N -1.25 0.00 -4.82 1.61 4.81 0.04 -4.79 118.16 113.76 1qvg n LYS 41 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1qvg n LYS 41 Cb 0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 35.03 34.46 1qvg n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1qvg s SER 42 N -3.49 2.02 0.04 3.14 0.15 -0.43 -5.00 113.70 110.13 1qvg s SER 42 Ca 0.00 -0.31 -0.18 0.00 0.70 0.00 0.00 55.95 56.16 1qvg s SER 42 Cb 0.00 -0.24 -0.18 0.00 -1.71 0.00 0.00 66.02 63.88 1qvg s SER 42 CO 0.00 0.21 1.22 0.00 1.20 0.00 0.00 173.24 175.87 1qvg h ALA 43 N 5.74 0.19 -2.41 5.45 0.00 -1.96 -3.40 119.26 122.87 1qvg h ALA 43 Ca -0.36 -0.50 -0.50 0.00 0.00 0.00 0.00 54.91 53.54 1qvg h ALA 43 Cb 1.15 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 19.02 1qvg h ALA 43 CO 0.48 0.37 0.37 0.15 0.00 0.00 0.00 179.25 180.62 1qvg s LYS 44 N -3.65 2.97 0.32 0.00 1.02 -1.26 -5.00 119.74 114.14 1qvg s LYS 44 Ca -0.13 1.30 -0.26 0.00 0.02 0.00 0.00 55.97 56.90 1qvg s LYS 44 Cb 0.05 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.29 1qvg s LYS 44 CO 0.82 -1.10 0.96 1.03 -0.92 0.00 0.00 175.35 176.14 1qvg s ARG 45 N -4.15 4.56 0.17 1.68 1.81 -1.26 -4.86 118.95 116.90 1qvg s ARG 45 Ca 0.65 1.38 -0.31 0.00 -1.72 0.00 0.00 55.73 55.73 1qvg s ARG 45 Cb -0.19 -2.83 -0.10 0.00 -0.45 0.00 0.00 34.95 31.39 1qvg s ARG 45 CO 0.41 0.25 1.56 0.50 -0.68 0.00 0.00 175.30 177.34 1qvg s ARG 46 N -2.01 4.22 -0.28 3.54 3.52 -0.34 -4.98 118.95 122.62 1qvg s ARG 46 Ca 0.50 2.36 -0.21 0.00 -0.13 0.00 0.00 55.73 58.25 1qvg s ARG 46 Cb -0.20 -3.15 0.13 0.00 -1.56 0.00 0.00 34.95 30.16 1qvg s ARG 46 CO 0.26 -0.60 0.99 0.34 -0.81 0.00 0.00 175.30 175.48 1qvg s ASP 47 N 1.11 -0.50 0.15 -2.12 -1.08 -1.26 -4.83 116.67 108.14 1qvg s ASP 47 Ca 0.70 0.89 0.05 0.00 -0.52 0.00 0.00 52.55 53.67 1qvg s ASP 47 Cb -0.44 1.03 -0.04 0.00 -1.46 0.00 0.00 42.92 42.01 1qvg s ASP 47 CO 0.32 -0.15 -0.12 -0.31 0.52 0.00 0.00 175.17 175.43 1qvg s TYR 48 N 0.71 1.38 -0.60 -5.34 1.51 -1.26 -5.06 117.35 108.68 1qvg s TYR 48 Ca -0.02 -0.68 0.25 0.00 -1.01 0.00 0.00 57.07 55.61 1qvg s TYR 48 Cb -0.05 -0.69 0.54 0.00 -0.11 0.00 0.00 41.96 41.66 1qvg s TYR 48 CO -0.10 0.15 1.59 0.93 -1.11 0.00 0.00 175.55 177.01 1qvg h GLU 49 N 2.88 0.00 0.00 -0.62 4.39 -2.02 -3.22 114.58 116.00 1qvg h GLU 49 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1qvg h GLU 49 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1qvg h GLU 49 CO 0.61 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.79 1qvg n TRP 50 N -2.47 0.00 1.48 4.33 4.27 -1.26 -2.77 117.44 121.02 1qvg n TRP 50 Ca 0.04 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.80 1qvg n TRP 50 Cb 0.47 0.00 0.77 0.00 -1.36 0.00 0.00 31.31 31.19 1qvg n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1qvg n GLN 51 N -0.82 0.50 -3.84 -2.67 6.02 -1.22 -4.77 117.38 110.58 1qvg n GLN 51 Ca 0.14 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 57.04 1qvg n GLN 51 Cb 0.07 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.75 1qvg n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1qvg s SER 52 N -2.49 0.05 0.33 1.08 1.04 -1.11 -5.13 113.70 107.47 1qvg s SER 52 Ca 0.31 -0.45 -0.28 0.00 0.48 0.00 0.00 55.95 56.01 1qvg s SER 52 Cb 0.20 0.31 -0.13 0.00 0.10 0.00 0.00 66.02 66.51 1qvg s SER 52 CO 0.44 -0.62 1.25 0.29 0.98 0.00 0.00 173.24 175.57 1qvg n LYS 53 N 0.41 2.01 -0.30 4.02 4.76 -1.26 -4.84 118.16 122.95 1qvg n LYS 53 Ca -0.17 0.70 0.07 0.00 -2.87 0.00 0.00 58.31 56.04 1qvg n LYS 53 Cb 0.60 -2.25 0.18 0.00 -1.84 0.00 0.00 35.03 31.72 1qvg n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qvg h ALA 54 N 2.46 0.82 -0.34 7.82 0.00 -1.96 0.10 119.26 128.17 1qvg h ALA 54 Ca -0.45 0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1qvg h ALA 54 Cb 1.29 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 1qvg h ALA 54 CO 0.62 -0.45 0.18 0.41 0.00 0.00 0.00 179.25 180.01 1qvg n GLY 55 N -1.50 2.72 0.00 0.00 0.00 -1.26 -5.14 105.19 100.01 1qvg n GLY 55 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1qvg n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11