#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s GLY 2 N 0.00 2.60 0.00 3.41 0.00 -1.26 -4.86 107.32 107.21 1q82 s GLY 2 Ca 0.00 1.06 0.31 0.00 0.00 0.00 0.00 44.72 46.08 1q82 s GLY 2 CO 0.00 1.96 2.09 0.00 0.00 0.00 0.00 173.10 177.15 1q82 n ALA 3 N 2.37 2.55 -1.31 3.20 0.00 -1.26 -3.05 120.51 123.02 1q82 n ALA 3 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1q82 n ALA 3 Cb 0.43 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1q82 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 4 N 1.21 0.76 0.40 0.00 0.00 -1.26 -4.47 105.19 101.83 1q82 n GLY 4 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1q82 n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q82 h THR 5 N 0.00 0.02 -0.10 2.61 2.02 -2.01 0.15 112.91 115.61 1q82 h THR 5 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1q82 h THR 5 Cb 0.00 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1q82 h THR 5 CO 0.00 0.00 0.16 1.55 0.37 0.00 0.00 175.52 177.60 1q82 h PRO 6 N -0.06 0.00 -0.01 6.66 0.13 -1.90 -0.31 132.00 136.51 1q82 h PRO 6 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1q82 h PRO 6 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1q82 h PRO 6 CO -0.90 0.00 -0.24 0.43 -0.23 0.00 0.00 178.00 177.06 1q82 n SER 7 N -3.50 1.17 0.21 1.44 7.64 0.51 -3.72 113.62 117.36 1q82 n SER 7 Ca -0.00 -1.01 0.10 0.00 1.01 0.00 0.00 58.87 58.96 1q82 n SER 7 Cb 0.26 0.14 0.22 0.00 -1.01 0.00 0.00 64.21 63.82 1q82 n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1q82 h GLN 8 N 1.46 0.00 0.00 1.43 1.08 -0.77 -3.34 115.11 114.97 1q82 h GLN 8 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1q82 h GLN 8 Cb 0.53 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1q82 h GLN 8 CO 0.00 0.15 -0.05 0.78 -0.95 0.00 0.00 178.83 178.75 1q82 h GLY 9 N 3.49 0.00 0.11 3.46 0.00 -1.67 -2.60 103.07 105.86 1q82 h GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q82 h GLY 9 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1q82 n LYS 10 N -4.27 1.31 -1.90 4.80 5.02 -1.25 -4.67 118.16 117.19 1q82 n LYS 10 Ca -0.03 -0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 55.38 1q82 n LYS 10 Cb 0.14 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1q82 n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q82 n LYS 11 N -0.37 2.95 -1.17 1.97 5.02 -0.98 -4.53 118.16 121.04 1q82 n LYS 11 Ca 0.17 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 1q82 n LYS 11 Cb 0.19 -3.30 0.13 0.00 -0.02 0.00 0.00 35.03 32.03 1q82 n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1q82 n ASN 12 N 6.33 2.04 -4.78 4.39 6.94 -1.26 -5.03 115.26 123.89 1q82 n ASN 12 Ca 0.51 -3.33 -0.35 0.00 -0.02 0.00 0.00 54.58 51.39 1q82 n ASN 12 Cb 0.40 -0.44 -0.08 0.00 -2.36 0.00 0.00 39.78 37.30 1q82 n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1q82 s THR 13 N -2.75 4.87 -0.21 5.53 2.01 -1.26 -5.10 115.64 118.73 1q82 s THR 13 Ca 0.38 -0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 1q82 s THR 13 Cb 0.38 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 1q82 s THR 13 CO -0.07 0.56 0.13 -0.89 -0.69 0.00 0.00 174.62 173.66 1q82 s THR 14 N -1.00 5.29 0.00 -0.82 2.01 -1.26 -4.98 115.64 114.88 1q82 s THR 14 Ca 0.16 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1q82 s THR 14 Cb -0.12 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1q82 s THR 14 CO 0.05 0.41 0.00 0.35 -0.69 0.00 0.00 174.62 174.74 1q82 n THR 15 N 3.79 0.00 -2.43 -0.82 -2.24 -1.26 -4.77 114.28 106.55 1q82 n THR 15 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1q82 n THR 15 Cb 0.52 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 1q82 n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q82 s HIS 16 N -0.03 3.04 0.38 4.78 3.76 -1.26 0.17 115.29 126.13 1q82 s HIS 16 Ca 0.00 1.11 0.05 0.00 -0.15 0.00 0.00 55.06 56.07 1q82 s HIS 16 Cb 0.00 -3.47 -0.06 0.00 1.11 0.00 0.00 32.58 30.16 1q82 s HIS 16 CO 0.00 -1.54 0.05 0.95 -0.85 0.00 0.00 174.74 173.35 1q82 s THR 17 N 2.68 1.38 -0.06 1.30 -4.23 0.91 -4.74 115.64 112.88 1q82 s THR 17 Ca 0.56 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.75 1q82 s THR 17 Cb -0.24 -2.75 -0.10 0.00 1.34 0.00 0.00 72.50 70.75 1q82 s THR 17 CO 0.20 0.00 1.99 1.17 -0.54 0.00 0.00 174.62 177.43 1q82 n LYS 18 N -0.85 2.41 -2.56 3.99 3.00 -1.26 0.23 118.16 123.12 1q82 n LYS 18 Ca -0.05 0.86 -0.42 0.00 -0.00 0.00 0.00 58.31 58.69 1q82 n LYS 18 Cb 0.67 -2.88 -0.03 0.00 0.00 0.00 0.00 35.03 32.79 1q82 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q82 h ARG 20 N 6.94 0.66 0.02 0.00 2.43 -1.91 -0.74 114.38 121.77 1q82 h ARG 20 Ca -0.39 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1q82 h ARG 20 Cb 1.20 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1q82 h ARG 20 CO 0.80 0.44 -0.39 -0.09 -1.51 0.00 0.00 179.97 179.22 1q82 h ARG 21 N 0.68 0.23 0.00 0.20 2.43 -1.96 -3.39 114.38 112.56 1q82 h ARG 21 Ca 0.35 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1q82 h ARG 21 Cb 0.33 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1q82 h ARG 21 CO -0.24 1.02 -0.72 0.00 -1.51 0.00 0.00 179.97 178.51 1q82 n GLY 23 N 1.35 1.05 3.89 0.00 0.00 -0.29 -4.99 105.19 106.20 1q82 n GLY 23 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1q82 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q82 s GLU 24 N -0.04 3.59 -1.26 1.61 0.41 -1.26 -4.55 118.70 117.20 1q82 s GLU 24 Ca 0.00 0.40 -0.07 0.00 -0.41 0.00 0.00 54.97 54.89 1q82 s GLU 24 Cb 0.00 -2.29 0.18 0.00 -1.78 0.00 0.00 34.13 30.24 1q82 s GLU 24 CO 0.00 -0.29 2.01 1.17 -0.49 0.00 0.00 175.26 177.65 1q82 n LYS 25 N -2.28 4.18 -0.28 1.61 4.81 -1.26 0.18 118.16 125.12 1q82 n LYS 25 Ca 0.02 -3.70 0.02 0.00 -0.87 0.00 0.00 58.31 53.78 1q82 n LYS 25 Cb 0.55 -2.74 0.02 0.00 0.02 0.00 0.00 35.03 32.88 1q82 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1q82 n SER 26 N 2.55 0.51 -4.57 3.14 7.64 -0.37 -4.33 113.62 118.19 1q82 n SER 26 Ca 0.46 -1.94 -0.42 0.00 1.01 0.00 0.00 58.87 57.98 1q82 n SER 26 Cb 0.31 -0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 1q82 n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1q82 s TYR 27 N -0.52 3.06 -0.64 1.43 5.04 0.14 -1.00 117.35 124.86 1q82 s TYR 27 Ca 0.05 0.45 -0.27 0.00 -2.44 0.00 0.00 57.07 54.86 1q82 s TYR 27 Cb 0.04 -3.53 0.02 0.00 0.35 0.00 0.00 41.96 38.84 1q82 s TYR 27 CO 0.00 -0.83 1.38 -1.58 -1.34 0.00 0.00 175.55 173.19 1q82 s HIS 28 N 3.22 2.25 0.51 4.97 5.65 -0.42 0.31 115.29 131.78 1q82 s HIS 28 Ca 0.32 0.29 0.40 0.00 0.25 0.00 0.00 55.06 56.31 1q82 s HIS 28 Cb -0.13 -4.47 2.18 0.00 -1.18 0.00 0.00 32.58 28.98 1q82 s HIS 28 CO 0.19 -2.01 2.23 0.00 -0.65 0.00 0.00 174.74 174.50 1q82 h THR 29 N 6.27 0.00 0.02 0.89 1.03 -0.59 2.19 112.91 122.71 1q82 h THR 29 Ca -0.27 0.00 -0.28 0.00 -0.01 0.00 0.00 66.41 65.85 1q82 h THR 29 Cb 1.08 0.89 -0.04 0.00 -1.07 0.00 0.00 68.15 69.01 1q82 h THR 29 CO 1.23 0.00 -1.58 0.11 -0.01 0.00 0.00 175.52 175.27 1q82 h LYS 30 N 0.00 0.05 0.00 0.00 1.79 -1.86 -3.35 116.57 113.20 1q82 h LYS 30 Ca 0.00 -0.09 -0.16 0.00 -2.18 0.00 0.00 60.65 58.23 1q82 h LYS 30 Cb 0.03 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 1q82 h LYS 30 CO 0.00 0.71 -1.63 1.63 -1.08 0.00 0.00 179.45 179.08 1q82 n LYS 31 N -3.18 0.64 -2.99 3.15 5.02 -0.53 -4.98 118.16 115.30 1q82 n LYS 31 Ca -0.15 0.11 -0.17 0.00 -2.02 0.00 0.00 58.31 56.08 1q82 n LYS 31 Cb 1.03 -1.72 0.04 0.00 -0.02 0.00 0.00 35.03 34.36 1q82 n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q82 n LYS 32 N -2.75 -4.37 -3.92 1.97 4.76 0.73 -5.00 118.16 109.58 1q82 n LYS 32 Ca -0.12 0.63 -0.13 0.00 -2.87 0.00 0.00 58.31 55.82 1q82 n LYS 32 Cb 0.82 -4.97 -0.14 0.00 -1.84 0.00 0.00 35.03 28.90 1q82 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1q82 s VAL 33 N -3.09 0.09 -0.10 -0.18 1.01 -1.20 -4.50 120.40 112.43 1q82 s VAL 33 Ca 0.30 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 1q82 s VAL 33 Cb -0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1q82 s VAL 33 CO 0.37 0.04 0.64 0.00 0.00 0.00 0.00 175.10 176.15 1q82 h SER 35 N 6.84 0.00 0.00 0.00 4.64 -1.42 -1.81 113.55 121.80 1q82 h SER 35 Ca -0.40 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 1q82 h SER 35 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1q82 h SER 35 CO 0.76 0.00 -0.80 -0.24 -0.87 0.00 0.00 176.83 175.68 1q82 n SER 36 N -2.70 1.84 -0.20 4.97 2.88 -1.26 -4.70 113.62 114.45 1q82 n SER 36 Ca 0.04 0.55 0.09 0.00 -1.33 0.00 0.00 58.87 58.23 1q82 n SER 36 Cb 0.45 -0.88 -0.06 0.00 -0.75 0.00 0.00 64.21 62.97 1q82 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q82 n GLY 38 N 1.40 1.02 3.66 0.00 0.00 -0.68 -0.92 105.19 109.66 1q82 n GLY 38 Ca 0.06 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.57 1q82 n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1q82 n PHE 39 N -2.00 2.02 0.00 1.61 7.35 -1.26 -0.22 117.46 124.96 1q82 n PHE 39 Ca 0.00 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1q82 n PHE 39 Cb 0.00 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.34 1q82 n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1q82 n GLY 40 N 3.49 1.78 0.80 7.13 0.00 -1.26 -1.00 105.19 116.13 1q82 n GLY 40 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1q82 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q82 n LYS 41 N -1.65 0.00 -4.71 1.61 4.81 0.69 -4.85 118.16 114.06 1q82 n LYS 41 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1q82 n LYS 41 Cb 0.00 -0.60 -0.15 0.00 0.02 0.00 0.00 35.03 34.30 1q82 n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1q82 s SER 42 N -4.77 1.99 0.10 3.14 0.15 0.04 -5.00 113.70 109.34 1q82 s SER 42 Ca 0.00 -0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.18 1q82 s SER 42 Cb 0.00 -0.20 -0.16 0.00 -1.71 0.00 0.00 66.02 63.95 1q82 s SER 42 CO 0.00 0.18 1.28 0.00 1.20 0.00 0.00 173.24 175.90 1q82 h ALA 43 N 5.50 0.28 -2.35 5.45 0.00 -1.96 -3.39 119.26 122.78 1q82 h ALA 43 Ca -0.37 -0.63 -0.49 0.00 0.00 0.00 0.00 54.91 53.41 1q82 h ALA 43 Cb 1.16 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.01 1q82 h ALA 43 CO 0.47 0.70 0.38 0.15 0.00 0.00 0.00 179.25 180.95 1q82 s LYS 44 N -3.60 3.36 0.33 0.00 1.02 -1.26 -5.00 119.74 114.60 1q82 s LYS 44 Ca -0.10 1.23 -0.26 0.00 0.02 0.00 0.00 55.97 56.86 1q82 s LYS 44 Cb 0.08 -2.04 -0.10 0.00 -0.52 0.00 0.00 37.83 35.26 1q82 s LYS 44 CO 0.91 -0.78 0.97 1.03 -0.92 0.00 0.00 175.35 176.55 1q82 s ARG 45 N -3.98 4.52 0.19 1.68 1.81 -1.26 -4.86 118.95 117.05 1q82 s ARG 45 Ca 0.64 1.37 -0.31 0.00 -1.72 0.00 0.00 55.73 55.71 1q82 s ARG 45 Cb -0.16 -2.76 -0.10 0.00 -0.45 0.00 0.00 34.95 31.48 1q82 s ARG 45 CO 0.35 0.21 1.51 0.50 -0.68 0.00 0.00 175.30 177.19 1q82 s ARG 46 N -2.12 4.24 -0.19 3.54 3.52 -0.10 -4.98 118.95 122.86 1q82 s ARG 46 Ca 0.51 2.32 -0.28 0.00 -0.13 0.00 0.00 55.73 58.15 1q82 s ARG 46 Cb -0.19 -3.15 0.11 0.00 -1.56 0.00 0.00 34.95 30.16 1q82 s ARG 46 CO 0.25 -0.53 0.92 0.34 -0.81 0.00 0.00 175.30 175.46 1q82 s ASP 47 N 0.87 -0.49 0.01 -2.12 -1.08 -1.26 -4.83 116.67 107.77 1q82 s ASP 47 Ca 0.66 0.71 -0.01 0.00 -0.52 0.00 0.00 52.55 53.39 1q82 s ASP 47 Cb -0.43 0.64 -0.01 0.00 -1.46 0.00 0.00 42.92 41.67 1q82 s ASP 47 CO 0.35 -0.33 0.01 -0.31 0.52 0.00 0.00 175.17 175.42 1q82 s TYR 48 N -0.57 0.15 0.29 -5.34 1.51 -1.26 -5.04 117.35 107.09 1q82 s TYR 48 Ca -0.02 -0.31 0.26 0.00 -1.01 0.00 0.00 57.07 56.00 1q82 s TYR 48 Cb -0.02 -0.12 1.23 0.00 -0.11 0.00 0.00 41.96 42.94 1q82 s TYR 48 CO 0.01 -0.16 1.96 0.93 -1.11 0.00 0.00 175.55 177.19 1q82 h GLU 49 N 4.98 0.00 0.00 -0.62 4.39 -2.01 -2.38 114.58 118.94 1q82 h GLU 49 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1q82 h GLU 49 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1q82 h GLU 49 CO 0.43 0.16 0.00 -2.67 -1.16 0.00 0.00 179.01 175.77 1q82 n TRP 50 N -3.50 0.00 1.68 4.33 4.27 -1.26 -3.09 117.44 119.87 1q82 n TRP 50 Ca -0.01 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.71 1q82 n TRP 50 Cb 0.32 0.00 0.64 0.00 -1.36 0.00 0.00 31.31 30.92 1q82 n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1q82 n GLN 51 N -0.89 0.84 -3.89 -2.67 6.02 -0.90 -4.80 117.38 111.09 1q82 n GLN 51 Ca 0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.06 1q82 n GLN 51 Cb 0.07 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 1q82 n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1q82 s SER 52 N -1.84 -0.16 0.47 1.08 1.04 -1.18 -5.12 113.70 108.00 1q82 s SER 52 Ca 0.32 -0.73 -0.24 0.00 0.48 0.00 0.00 55.95 55.78 1q82 s SER 52 Cb 0.15 0.59 -0.07 0.00 0.10 0.00 0.00 66.02 66.79 1q82 s SER 52 CO 0.25 -1.12 1.38 -0.54 0.98 0.00 0.00 173.24 174.19 1q82 s LYS 53 N -3.95 3.59 0.38 4.02 -0.14 -1.26 -4.87 119.74 117.51 1q82 s LYS 53 Ca 0.16 2.30 0.18 0.00 -1.36 0.00 0.00 55.97 57.25 1q82 s LYS 53 Cb -0.01 -2.56 1.10 0.00 -1.68 0.00 0.00 37.83 34.68 1q82 s LYS 53 CO 0.04 -0.85 1.74 0.00 -0.76 0.00 0.00 175.35 175.52 1q82 h ALA 54 N 2.14 2.19 -1.00 5.17 0.00 -1.96 -0.95 119.26 124.86 1q82 h ALA 54 Ca -0.51 0.09 -0.70 0.00 0.00 0.00 0.00 54.91 53.79 1q82 h ALA 54 Cb 1.27 0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.82 1q82 h ALA 54 CO 0.60 -0.65 0.83 0.41 0.00 0.00 0.00 179.25 180.44 1q82 n GLY 55 N -1.44 5.80 0.00 0.00 0.00 -1.26 -5.15 105.19 103.15 1q82 n GLY 55 Ca 0.28 -2.38 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1q82 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11