#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s GLY 2 N 0.00 2.97 0.00 3.41 0.00 -1.26 -4.88 107.32 107.55 1q86 s GLY 2 Ca 0.00 1.24 0.29 0.00 0.00 0.00 0.00 44.72 46.24 1q86 s GLY 2 CO 0.00 1.85 1.97 0.00 0.00 0.00 0.00 173.10 176.92 1q86 n ALA 3 N 0.53 2.38 -1.39 3.20 0.00 -1.26 -3.40 120.51 120.57 1q86 n ALA 3 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1q86 n ALA 3 Cb 0.43 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1q86 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 4 N 1.23 0.77 0.40 0.00 0.00 -1.26 -4.57 105.19 101.76 1q86 n GLY 4 Ca 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1q86 n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q86 n THR 5 N 0.00 -0.59 0.03 2.61 -1.04 -1.26 -0.41 114.28 113.61 1q86 n THR 5 Ca 0.00 2.37 0.21 0.00 -2.04 0.00 0.00 64.05 64.60 1q86 n THR 5 Cb 0.00 -3.04 0.73 0.00 -1.82 0.00 0.00 70.33 66.20 1q86 n THR 5 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1q86 h PRO 6 N 0.00 0.00 -0.01 -2.82 0.13 -1.91 0.21 132.00 127.60 1q86 h PRO 6 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 1q86 h PRO 6 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1q86 h PRO 6 CO -0.97 0.00 -0.02 0.43 -0.23 0.00 0.00 178.00 177.21 1q86 n SER 7 N -4.03 1.35 0.15 1.44 7.64 0.45 -3.75 113.62 116.87 1q86 n SER 7 Ca 0.09 -1.42 0.04 0.00 1.01 0.00 0.00 58.87 58.59 1q86 n SER 7 Cb 0.64 0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.92 1q86 n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1q86 h GLN 8 N 2.10 0.00 0.00 1.43 1.08 -0.43 -3.34 115.11 115.94 1q86 h GLN 8 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1q86 h GLN 8 Cb 0.46 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1q86 h GLN 8 CO 0.00 0.45 -0.04 0.78 -0.95 0.00 0.00 178.83 179.08 1q86 h GLY 9 N 3.40 0.00 -0.55 3.46 0.00 -1.66 -2.77 103.07 104.96 1q86 h GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q86 h GLY 9 CO 0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.88 1q86 n LYS 10 N -3.44 1.55 -2.42 4.80 5.02 -1.25 -4.69 118.16 117.73 1q86 n LYS 10 Ca -0.02 -0.84 -0.43 0.00 -2.02 0.00 0.00 58.31 55.00 1q86 n LYS 10 Cb 0.15 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1q86 n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q86 n LYS 11 N 0.08 3.36 -1.23 1.97 5.02 -1.05 -4.56 118.16 121.75 1q86 n LYS 11 Ca 0.14 -3.41 0.00 0.00 -2.02 0.00 0.00 58.31 53.02 1q86 n LYS 11 Cb 0.25 -3.10 0.12 0.00 -0.02 0.00 0.00 35.03 32.28 1q86 n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1q86 n ASN 12 N 5.36 2.06 -4.72 4.39 6.94 -1.26 -5.03 115.26 122.99 1q86 n ASN 12 Ca 0.42 -3.27 -0.35 0.00 -0.02 0.00 0.00 54.58 51.36 1q86 n ASN 12 Cb 0.40 -0.44 -0.09 0.00 -2.36 0.00 0.00 39.78 37.29 1q86 n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1q86 s THR 13 N -2.72 4.89 -0.17 5.53 2.01 -1.26 -5.09 115.64 118.83 1q86 s THR 13 Ca 0.38 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.22 1q86 s THR 13 Cb 0.38 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1q86 s THR 13 CO -0.07 0.55 0.32 -0.89 -0.69 0.00 0.00 174.62 173.84 1q86 s THR 14 N -0.37 5.28 0.00 -0.82 2.01 -1.26 -4.96 115.64 115.52 1q86 s THR 14 Ca 0.09 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1q86 s THR 14 Cb -0.12 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1q86 s THR 14 CO 0.02 0.36 0.00 0.35 -0.69 0.00 0.00 174.62 174.65 1q86 n THR 15 N 3.75 0.00 -2.27 -0.82 -2.24 -1.26 -4.77 114.28 106.67 1q86 n THR 15 Ca -0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1q86 n THR 15 Cb 0.52 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1q86 n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q86 s HIS 16 N 0.00 2.74 0.18 4.78 3.76 -1.26 0.40 115.29 125.89 1q86 s HIS 16 Ca 0.00 0.81 0.03 0.00 -0.15 0.00 0.00 55.06 55.75 1q86 s HIS 16 Cb 0.00 -3.63 -0.05 0.00 1.11 0.00 0.00 32.58 30.01 1q86 s HIS 16 CO 0.00 -2.35 -0.03 0.95 -0.85 0.00 0.00 174.74 172.46 1q86 s THR 17 N 2.95 0.89 -0.14 1.30 -4.23 0.35 -4.75 115.64 112.01 1q86 s THR 17 Ca 0.62 -2.01 -0.40 0.00 -1.18 0.00 0.00 61.69 58.72 1q86 s THR 17 Cb -0.28 -2.08 -0.18 0.00 1.34 0.00 0.00 72.50 71.30 1q86 s THR 17 CO 0.23 -0.53 1.42 1.17 -0.54 0.00 0.00 174.62 176.36 1q86 n LYS 18 N -0.26 0.62 -3.13 3.99 3.00 -1.26 0.88 118.16 122.00 1q86 n LYS 18 Ca -0.07 0.23 -0.39 0.00 -0.00 0.00 0.00 58.31 58.07 1q86 n LYS 18 Cb 0.63 -1.81 -0.05 0.00 0.00 0.00 0.00 35.03 33.79 1q86 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q86 h ARG 20 N 5.97 0.88 0.02 0.00 2.43 -1.90 -0.97 114.38 120.82 1q86 h ARG 20 Ca -0.44 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1q86 h ARG 20 Cb 1.20 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1q86 h ARG 20 CO 0.72 0.58 -0.01 -0.09 -1.51 0.00 0.00 179.97 179.66 1q86 h ARG 21 N 0.91 -0.03 -0.00 0.20 2.43 -1.97 -3.41 114.38 112.51 1q86 h ARG 21 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1q86 h ARG 21 Cb 0.13 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1q86 h ARG 21 CO -0.16 0.68 -0.64 0.00 -1.51 0.00 0.00 179.97 178.34 1q86 n GLY 23 N 1.32 0.76 3.85 0.00 0.00 -0.37 -4.98 105.19 105.77 1q86 n GLY 23 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1q86 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q86 s GLU 24 N -0.01 3.85 -1.23 1.61 0.41 -1.26 -4.56 118.70 117.51 1q86 s GLU 24 Ca 0.00 0.32 -0.09 0.00 -0.41 0.00 0.00 54.97 54.79 1q86 s GLU 24 Cb 0.00 -3.11 -0.07 0.00 -1.78 0.00 0.00 34.13 29.17 1q86 s GLU 24 CO 0.00 0.63 2.46 1.17 -0.49 0.00 0.00 175.26 179.02 1q86 n LYS 25 N 1.40 2.76 -0.05 1.61 4.81 -1.26 -0.24 118.16 127.18 1q86 n LYS 25 Ca -0.11 -1.84 0.01 0.00 -0.87 0.00 0.00 58.31 55.50 1q86 n LYS 25 Cb 0.52 -2.66 0.01 0.00 0.02 0.00 0.00 35.03 32.92 1q86 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1q86 n SER 26 N 4.23 1.06 -4.56 3.14 7.64 -1.02 -4.24 113.62 119.88 1q86 n SER 26 Ca 0.59 -1.71 -0.42 0.00 1.01 0.00 0.00 58.87 58.34 1q86 n SER 26 Cb 0.20 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1q86 n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1q86 s TYR 27 N -0.69 2.65 -0.60 1.43 5.04 0.25 -1.50 117.35 123.92 1q86 s TYR 27 Ca 0.03 0.22 -0.27 0.00 -2.44 0.00 0.00 57.07 54.61 1q86 s TYR 27 Cb 0.03 -4.37 -0.01 0.00 0.35 0.00 0.00 41.96 37.95 1q86 s TYR 27 CO 0.00 -1.54 1.79 -1.58 -1.34 0.00 0.00 175.55 172.88 1q86 s HIS 28 N 4.66 1.75 -1.18 4.97 5.65 -0.13 0.13 115.29 131.14 1q86 s HIS 28 Ca 0.38 0.70 0.05 0.00 0.25 0.00 0.00 55.06 56.43 1q86 s HIS 28 Cb -0.09 -4.15 0.23 0.00 -1.18 0.00 0.00 32.58 27.39 1q86 s HIS 28 CO 0.22 -2.31 1.09 -2.37 -0.65 0.00 0.00 174.74 170.73 1q86 n THR 29 N 7.14 1.36 -0.07 0.89 5.66 0.16 0.18 114.28 129.61 1q86 n THR 29 Ca 0.19 0.34 -0.10 0.00 -3.05 0.00 0.00 64.05 61.43 1q86 n THR 29 Cb 0.51 -1.25 -0.15 0.00 -1.55 0.00 0.00 70.33 67.89 1q86 n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1q86 n LYS 30 N -1.41 0.67 0.00 1.09 4.76 -1.26 -4.33 118.16 117.68 1q86 n LYS 30 Ca 0.02 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.69 1q86 n LYS 30 Cb 0.05 -1.63 -0.13 0.00 -1.84 0.00 0.00 35.03 31.48 1q86 n LYS 30 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1q86 n LYS 31 N -2.89 0.48 -3.69 1.97 5.02 -0.26 -4.98 118.16 113.82 1q86 n LYS 31 Ca -0.27 -0.12 -0.26 0.00 -2.02 0.00 0.00 58.31 55.64 1q86 n LYS 31 Cb 1.11 -1.55 0.06 0.00 -0.02 0.00 0.00 35.03 34.63 1q86 n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q86 n LYS 32 N -2.10 -6.93 -3.86 1.97 4.76 0.47 -4.98 118.16 107.47 1q86 n LYS 32 Ca -0.01 0.74 -0.13 0.00 -2.87 0.00 0.00 58.31 56.04 1q86 n LYS 32 Cb 0.51 -5.73 -0.14 0.00 -1.84 0.00 0.00 35.03 27.82 1q86 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1q86 s VAL 33 N -3.30 0.01 -0.25 -0.18 1.01 -1.20 -4.50 120.40 111.98 1q86 s VAL 33 Ca 0.61 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 1q86 s VAL 33 Cb -0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1q86 s VAL 33 CO 0.75 0.03 0.47 0.00 0.00 0.00 0.00 175.10 176.34 1q86 n SER 35 N 5.33 0.59 -0.09 0.00 3.41 -0.56 -0.57 113.62 121.72 1q86 n SER 35 Ca -0.06 0.65 -0.10 0.00 -0.26 0.00 0.00 58.87 59.10 1q86 n SER 35 Cb 0.50 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 1q86 n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1q86 n SER 36 N -2.15 1.89 -0.10 4.04 2.88 -1.26 -4.70 113.62 114.21 1q86 n SER 36 Ca 0.02 0.45 0.11 0.00 -1.33 0.00 0.00 58.87 58.12 1q86 n SER 36 Cb 0.22 -0.81 -0.01 0.00 -0.75 0.00 0.00 64.21 62.86 1q86 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q86 n GLY 38 N 1.48 0.54 3.67 0.00 0.00 0.27 -1.21 105.19 109.93 1q86 n GLY 38 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1q86 n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1q86 n PHE 39 N -2.77 2.27 0.00 1.61 7.35 -1.26 -0.56 117.46 124.11 1q86 n PHE 39 Ca 0.00 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1q86 n PHE 39 Cb 0.03 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.32 1q86 n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1q86 n GLY 40 N 3.37 3.29 0.59 7.13 0.00 -1.26 -0.61 105.19 117.71 1q86 n GLY 40 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1q86 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q86 n LYS 41 N -1.99 0.22 -4.51 1.61 4.81 0.28 -4.87 118.16 113.72 1q86 n LYS 41 Ca 0.00 0.09 -0.24 0.00 -0.87 0.00 0.00 58.31 57.29 1q86 n LYS 41 Cb 0.00 -0.91 -0.14 0.00 0.02 0.00 0.00 35.03 34.00 1q86 n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1q86 s SER 42 N -5.78 2.26 0.10 3.14 0.15 -0.24 -5.03 113.70 108.30 1q86 s SER 42 Ca -0.14 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 55.86 1q86 s SER 42 Cb 0.05 -0.17 -0.17 0.00 -1.71 0.00 0.00 66.02 64.02 1q86 s SER 42 CO 0.19 0.11 1.27 0.00 1.20 0.00 0.00 173.24 176.00 1q86 h ALA 43 N 4.77 0.26 -2.27 5.45 0.00 -1.96 -3.40 119.26 122.10 1q86 h ALA 43 Ca -0.42 -0.64 -0.47 0.00 0.00 0.00 0.00 54.91 53.38 1q86 h ALA 43 Cb 1.17 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1q86 h ALA 43 CO 0.43 0.69 0.38 0.15 0.00 0.00 0.00 179.25 180.90 1q86 s LYS 44 N -3.56 3.82 0.31 0.00 1.02 -1.26 -5.00 119.74 115.06 1q86 s LYS 44 Ca -0.10 1.27 -0.29 0.00 0.02 0.00 0.00 55.97 56.87 1q86 s LYS 44 Cb 0.08 -2.10 -0.10 0.00 -0.52 0.00 0.00 37.83 35.19 1q86 s LYS 44 CO 0.91 -0.40 1.17 1.03 -0.92 0.00 0.00 175.35 177.14 1q86 s ARG 45 N -3.40 4.50 0.09 1.68 1.81 -1.26 -4.89 118.95 117.48 1q86 s ARG 45 Ca 0.65 1.94 -0.31 0.00 -1.72 0.00 0.00 55.73 56.29 1q86 s ARG 45 Cb -0.15 -3.11 -0.08 0.00 -0.45 0.00 0.00 34.95 31.16 1q86 s ARG 45 CO 0.22 0.04 1.60 0.50 -0.68 0.00 0.00 175.30 176.98 1q86 s ARG 46 N -1.63 4.22 -0.28 3.54 3.52 -0.35 -4.98 118.95 122.99 1q86 s ARG 46 Ca 0.47 2.29 -0.18 0.00 -0.13 0.00 0.00 55.73 58.18 1q86 s ARG 46 Cb -0.34 -3.48 0.09 0.00 -1.56 0.00 0.00 34.95 29.67 1q86 s ARG 46 CO 0.45 -0.68 0.78 0.34 -0.81 0.00 0.00 175.30 175.38 1q86 s ASP 47 N 2.00 -0.79 0.05 -2.12 3.68 -1.26 -4.82 116.67 113.41 1q86 s ASP 47 Ca 0.72 1.32 0.05 0.00 2.13 0.00 0.00 52.55 56.76 1q86 s ASP 47 Cb -0.40 1.33 -0.02 0.00 -1.45 0.00 0.00 42.92 42.38 1q86 s ASP 47 CO 0.31 -0.21 -0.14 -0.31 0.13 0.00 0.00 175.17 174.95 1q86 s TYR 48 N 1.27 1.23 -0.13 -5.34 1.51 -1.26 -5.04 117.35 109.59 1q86 s TYR 48 Ca -0.07 -0.39 0.29 0.00 -1.01 0.00 0.00 57.07 55.89 1q86 s TYR 48 Cb -0.05 -0.71 1.30 0.00 -0.11 0.00 0.00 41.96 42.39 1q86 s TYR 48 CO -0.15 0.04 1.86 0.93 -1.11 0.00 0.00 175.55 177.13 1q86 h GLU 49 N 4.71 0.00 -0.08 -0.62 4.39 -2.02 -2.46 114.58 118.51 1q86 h GLU 49 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1q86 h GLU 49 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1q86 h GLU 49 CO 0.43 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.61 1q86 n TRP 50 N -2.58 0.10 1.85 4.33 4.27 -1.26 -3.43 117.44 120.71 1q86 n TRP 50 Ca 0.00 -0.05 0.14 0.00 -3.89 0.00 0.00 57.50 53.71 1q86 n TRP 50 Cb 0.20 0.00 0.86 0.00 -1.36 0.00 0.00 31.31 31.01 1q86 n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1q86 n GLN 51 N -0.30 0.92 -3.77 -2.67 6.02 -0.93 -4.78 117.38 111.88 1q86 n GLN 51 Ca 0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.03 1q86 n GLN 51 Cb 0.17 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 1q86 n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1q86 s SER 52 N -1.98 -0.17 0.28 1.08 1.04 -1.22 -5.12 113.70 107.61 1q86 s SER 52 Ca 0.43 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.02 1q86 s SER 52 Cb 0.20 0.51 -0.12 0.00 0.10 0.00 0.00 66.02 66.71 1q86 s SER 52 CO 0.33 -0.96 1.54 0.29 0.98 0.00 0.00 173.24 175.43 1q86 n LYS 53 N -0.27 2.51 -0.39 4.02 4.76 -1.26 -4.84 118.16 122.69 1q86 n LYS 53 Ca -0.11 0.89 0.33 0.00 -2.87 0.00 0.00 58.31 56.56 1q86 n LYS 53 Cb 0.63 -2.64 0.60 0.00 -1.84 0.00 0.00 35.03 31.78 1q86 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q86 h ALA 54 N 4.53 2.44 -0.96 7.82 0.00 -1.96 0.13 119.26 131.26 1q86 h ALA 54 Ca -0.46 0.17 -0.65 0.00 0.00 0.00 0.00 54.91 53.96 1q86 h ALA 54 Cb 1.24 0.23 -0.28 0.00 0.00 0.00 0.00 17.79 18.98 1q86 h ALA 54 CO 0.78 -1.11 0.84 0.41 0.00 0.00 0.00 179.25 180.17 1q86 n GLY 55 N -1.41 5.74 0.00 0.00 0.00 -1.26 -5.14 105.19 103.11 1q86 n GLY 55 Ca 0.37 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1q86 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11