#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 n GLY 2 N 0.00 1.03 0.05 3.41 0.00 -1.26 -4.87 105.19 103.55 1m90 n GLY 2 Ca 0.00 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.40 1m90 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 n ALA 3 N 0.06 2.66 -1.54 4.61 0.00 -1.26 -3.31 120.51 121.73 1m90 n ALA 3 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1m90 n ALA 3 Cb 0.40 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1m90 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m90 n GLY 4 N 1.32 0.65 0.32 0.00 0.00 -1.26 -4.54 105.19 101.68 1m90 n GLY 4 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 1m90 n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m90 h THR 5 N 0.00 0.14 0.00 2.61 2.02 -2.01 0.88 112.91 116.55 1m90 h THR 5 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1m90 h THR 5 Cb 0.00 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1m90 h THR 5 CO 0.00 0.01 -0.21 1.55 0.37 0.00 0.00 175.52 177.24 1m90 h PRO 6 N 0.05 0.00 -0.02 6.66 0.13 -1.90 -1.93 132.00 134.98 1m90 h PRO 6 Ca 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.65 1m90 h PRO 6 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1m90 h PRO 6 CO -0.84 0.21 0.00 0.43 -0.23 0.00 0.00 178.00 177.57 1m90 n SER 7 N -4.03 0.89 0.05 1.44 7.64 0.28 -3.42 113.62 116.48 1m90 n SER 7 Ca -0.02 -1.34 0.12 0.00 1.01 0.00 0.00 58.87 58.64 1m90 n SER 7 Cb 0.28 -0.01 0.27 0.00 -1.01 0.00 0.00 64.21 63.75 1m90 n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1m90 n GLN 8 N -0.29 0.21 0.20 1.43 1.13 -0.72 -4.12 117.38 115.22 1m90 n GLN 8 Ca 0.20 0.09 0.05 0.00 -1.94 0.00 0.00 57.00 55.40 1m90 n GLN 8 Cb 0.25 -1.66 0.44 0.00 0.11 0.00 0.00 30.24 29.38 1m90 n GLN 8 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1m90 h GLY 9 N 4.65 0.00 -0.48 1.08 0.00 -1.67 -3.06 103.07 103.60 1m90 h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m90 h GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1m90 n LYS 10 N -3.91 1.41 -2.36 4.80 5.02 -1.26 -4.68 118.16 117.18 1m90 n LYS 10 Ca -0.02 -0.63 -0.43 0.00 -2.02 0.00 0.00 58.31 55.22 1m90 n LYS 10 Cb 0.38 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1m90 n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m90 n LYS 11 N -0.06 3.24 -0.84 1.97 5.02 -1.16 -4.50 118.16 121.84 1m90 n LYS 11 Ca 0.10 -3.27 0.05 0.00 -2.02 0.00 0.00 58.31 53.17 1m90 n LYS 11 Cb 0.17 -3.20 0.14 0.00 -0.02 0.00 0.00 35.03 32.12 1m90 n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1m90 n ASN 12 N 6.02 1.47 -4.87 4.39 6.94 -1.26 -5.04 115.26 122.90 1m90 n ASN 12 Ca 0.45 -3.17 -0.37 0.00 -0.02 0.00 0.00 54.58 51.47 1m90 n ASN 12 Cb 0.41 -0.44 -0.06 0.00 -2.36 0.00 0.00 39.78 37.33 1m90 n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1m90 s THR 13 N -2.07 5.48 -0.21 5.53 2.01 -1.26 -5.08 115.64 120.05 1m90 s THR 13 Ca 0.35 0.24 -0.09 0.00 0.31 0.00 0.00 61.69 62.50 1m90 s THR 13 Cb 0.35 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 1m90 s THR 13 CO -0.09 0.61 0.12 -0.89 -0.69 0.00 0.00 174.62 173.68 1m90 s THR 14 N -0.99 5.21 0.00 -0.82 2.01 -1.26 -4.97 115.64 114.82 1m90 s THR 14 Ca 0.15 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1m90 s THR 14 Cb -0.12 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1m90 s THR 14 CO 0.04 0.42 0.00 0.35 -0.69 0.00 0.00 174.62 174.75 1m90 n THR 15 N 3.73 0.00 -2.19 -0.82 -2.24 -1.26 -4.74 114.28 106.76 1m90 n THR 15 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1m90 n THR 15 Cb 0.52 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1m90 n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1m90 s HIS 16 N 0.00 3.17 0.16 4.78 3.76 -1.26 -0.34 115.29 125.57 1m90 s HIS 16 Ca 0.00 0.94 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 1m90 s HIS 16 Cb 0.00 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.98 1m90 s HIS 16 CO 0.00 -2.37 0.04 0.95 -0.85 0.00 0.00 174.74 172.52 1m90 s THR 17 N 1.34 0.35 -0.09 1.30 -4.23 0.34 -4.81 115.64 109.84 1m90 s THR 17 Ca 0.64 -1.95 -0.37 0.00 -1.18 0.00 0.00 61.69 58.84 1m90 s THR 17 Cb -0.36 -2.13 -0.14 0.00 1.34 0.00 0.00 72.50 71.21 1m90 s THR 17 CO 0.30 -0.42 1.69 1.17 -0.54 0.00 0.00 174.62 176.82 1m90 n LYS 18 N -0.18 1.63 -2.91 3.99 3.00 -1.26 0.87 118.16 123.30 1m90 n LYS 18 Ca -0.05 0.60 -0.40 0.00 -0.00 0.00 0.00 58.31 58.46 1m90 n LYS 18 Cb 0.64 -2.34 -0.06 0.00 0.00 0.00 0.00 35.03 33.27 1m90 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1m90 h ARG 20 N 4.63 0.00 0.07 0.00 2.43 -1.90 -2.01 114.38 117.59 1m90 h ARG 20 Ca -0.46 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.38 1m90 h ARG 20 Cb 1.21 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 1m90 h ARG 20 CO 0.68 0.29 -1.82 -2.13 -1.51 0.00 0.00 179.97 175.48 1m90 n ARG 21 N -4.03 0.68 -0.00 0.20 0.63 -1.26 -4.69 116.66 108.18 1m90 n ARG 21 Ca -0.02 0.36 0.05 0.00 -0.92 0.00 0.00 57.85 57.32 1m90 n ARG 21 Cb 0.35 -1.70 -0.07 0.00 0.45 0.00 0.00 32.46 31.49 1m90 n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1m90 n GLY 23 N 1.63 1.29 3.82 0.00 0.00 -0.76 -4.99 105.19 106.18 1m90 n GLY 23 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1m90 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m90 s GLU 24 N -0.39 4.26 -1.45 1.61 0.41 -1.26 -4.50 118.70 117.38 1m90 s GLU 24 Ca 0.00 0.94 -0.11 0.00 -0.41 0.00 0.00 54.97 55.39 1m90 s GLU 24 Cb 0.00 -2.69 -0.06 0.00 -1.78 0.00 0.00 34.13 29.60 1m90 s GLU 24 CO 0.00 0.28 2.64 1.17 -0.49 0.00 0.00 175.26 178.86 1m90 n LYS 25 N 0.31 3.19 -0.06 1.61 4.81 -1.26 0.06 118.16 126.81 1m90 n LYS 25 Ca 0.01 -2.15 0.01 0.00 -0.87 0.00 0.00 58.31 55.31 1m90 n LYS 25 Cb 0.52 -2.85 0.02 0.00 0.02 0.00 0.00 35.03 32.73 1m90 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1m90 n SER 26 N 4.35 1.04 -4.58 3.14 7.64 -0.82 -4.26 113.62 120.13 1m90 n SER 26 Ca 0.67 -1.74 -0.43 0.00 1.01 0.00 0.00 58.87 58.39 1m90 n SER 26 Cb 0.25 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 1m90 n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1m90 s TYR 27 N -0.71 2.98 -0.61 1.43 5.04 0.25 -1.21 117.35 124.52 1m90 s TYR 27 Ca 0.04 0.54 -0.27 0.00 -2.44 0.00 0.00 57.07 54.93 1m90 s TYR 27 Cb 0.03 -3.84 0.01 0.00 0.35 0.00 0.00 41.96 38.52 1m90 s TYR 27 CO 0.00 -0.99 1.45 -1.58 -1.34 0.00 0.00 175.55 173.10 1m90 s HIS 28 N 3.64 2.18 -0.19 4.97 5.65 -0.59 0.13 115.29 131.07 1m90 s HIS 28 Ca 0.37 0.39 0.25 0.00 0.25 0.00 0.00 55.06 56.32 1m90 s HIS 28 Cb -0.11 -4.41 1.24 0.00 -1.18 0.00 0.00 32.58 28.13 1m90 s HIS 28 CO 0.23 -2.06 1.77 0.00 -0.65 0.00 0.00 174.74 174.03 1m90 h THR 29 N 6.37 0.00 0.14 0.89 1.03 -1.00 1.57 112.91 121.91 1m90 h THR 29 Ca -0.27 -0.11 -0.29 0.00 -0.01 0.00 0.00 66.41 65.73 1m90 h THR 29 Cb 1.09 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1m90 h THR 29 CO 1.21 0.00 -1.45 0.11 -0.01 0.00 0.00 175.52 175.38 1m90 h LYS 30 N 0.00 0.30 0.00 0.00 1.79 -1.85 -3.37 116.57 113.45 1m90 h LYS 30 Ca 0.00 -0.52 -0.04 0.00 -2.18 0.00 0.00 60.65 57.91 1m90 h LYS 30 Cb 0.16 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1m90 h LYS 30 CO 0.00 1.25 -1.02 0.87 -1.08 0.00 0.00 179.45 179.47 1m90 h LYS 31 N -0.18 0.00 -4.79 3.15 1.57 -1.78 -3.48 116.57 111.06 1m90 h LYS 31 Ca -0.30 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.18 1m90 h LYS 31 Cb 1.86 0.00 0.11 0.00 0.08 0.00 0.00 32.23 34.28 1m90 h LYS 31 CO 0.11 0.08 -0.54 1.63 -0.57 0.00 0.00 179.45 180.16 1m90 n LYS 32 N -2.77 -6.11 -3.77 3.15 4.76 0.53 -5.02 118.16 108.94 1m90 n LYS 32 Ca -0.02 0.65 -0.14 0.00 -2.87 0.00 0.00 58.31 55.93 1m90 n LYS 32 Cb 0.62 -5.14 -0.15 0.00 -1.84 0.00 0.00 35.03 28.52 1m90 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1m90 s VAL 33 N -3.25 -0.05 -0.10 -0.18 1.01 -1.18 -4.46 120.40 112.19 1m90 s VAL 33 Ca 0.40 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1m90 s VAL 33 Cb -0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1m90 s VAL 33 CO 0.57 0.07 0.81 0.00 0.00 0.00 0.00 175.10 176.55 1m90 h SER 35 N 7.03 0.00 0.00 0.00 4.64 -1.51 -2.07 113.55 121.65 1m90 h SER 35 Ca -0.36 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.79 1m90 h SER 35 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1m90 h SER 35 CO 0.79 0.00 -1.07 -1.28 -0.87 0.00 0.00 176.83 174.40 1m90 h SER 36 N 0.00 0.00 -0.01 4.97 0.87 -1.92 -3.43 113.55 114.04 1m90 h SER 36 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1m90 h SER 36 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1m90 h SER 36 CO 0.00 1.33 -0.24 0.00 -0.53 0.00 0.00 176.83 177.39 1m90 n GLY 38 N 1.00 0.88 3.66 0.00 0.00 -0.78 -1.23 105.19 108.72 1m90 n GLY 38 Ca 0.06 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.60 1m90 n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1m90 n PHE 39 N -2.00 2.14 0.00 1.61 7.35 -1.26 -0.61 117.46 124.69 1m90 n PHE 39 Ca 0.00 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 1m90 n PHE 39 Cb 0.00 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.31 1m90 n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1m90 n GLY 40 N 3.38 3.46 0.28 7.13 0.00 -1.26 -0.45 105.19 117.72 1m90 n GLY 40 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1m90 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1m90 n LYS 41 N -1.92 0.15 -4.60 1.61 4.81 0.22 -4.87 118.16 113.55 1m90 n LYS 41 Ca 0.00 0.04 -0.22 0.00 -0.87 0.00 0.00 58.31 57.26 1m90 n LYS 41 Cb 0.00 -0.99 -0.15 0.00 0.02 0.00 0.00 35.03 33.91 1m90 n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1m90 s SER 42 N -4.91 1.69 0.07 3.14 0.15 0.19 -5.01 113.70 109.02 1m90 s SER 42 Ca -0.08 -0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.10 1m90 s SER 42 Cb 0.03 -0.17 -0.16 0.00 -1.71 0.00 0.00 66.02 64.01 1m90 s SER 42 CO 0.13 0.15 1.28 0.00 1.20 0.00 0.00 173.24 176.00 1m90 h ALA 43 N 5.60 0.27 -2.38 5.45 0.00 -1.97 -3.40 119.26 122.82 1m90 h ALA 43 Ca -0.35 -0.51 -0.50 0.00 0.00 0.00 0.00 54.91 53.54 1m90 h ALA 43 Cb 1.16 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 19.01 1m90 h ALA 43 CO 0.48 0.47 0.37 0.15 0.00 0.00 0.00 179.25 180.72 1m90 s LYS 44 N -3.82 3.01 0.15 0.00 1.02 -1.26 -4.99 119.74 113.85 1m90 s LYS 44 Ca -0.12 1.24 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 1m90 s LYS 44 Cb 0.07 -1.99 -0.07 0.00 -0.52 0.00 0.00 37.83 35.32 1m90 s LYS 44 CO 0.85 -1.06 1.01 1.03 -0.92 0.00 0.00 175.35 176.26 1m90 s ARG 45 N -4.25 4.67 0.09 1.68 1.81 -1.26 -4.87 118.95 116.82 1m90 s ARG 45 Ca 0.64 1.56 -0.31 0.00 -1.72 0.00 0.00 55.73 55.90 1m90 s ARG 45 Cb -0.17 -3.33 -0.09 0.00 -0.45 0.00 0.00 34.95 30.91 1m90 s ARG 45 CO 0.42 0.19 1.68 0.50 -0.68 0.00 0.00 175.30 177.41 1m90 s ARG 46 N -0.24 4.19 -0.21 3.54 3.52 -0.37 -4.98 118.95 124.41 1m90 s ARG 46 Ca 0.47 2.39 -0.27 0.00 -0.13 0.00 0.00 55.73 58.19 1m90 s ARG 46 Cb -0.26 -3.55 0.09 0.00 -1.56 0.00 0.00 34.95 29.67 1m90 s ARG 46 CO 0.32 -0.74 0.83 0.34 -0.81 0.00 0.00 175.30 175.23 1m90 s ASP 47 N 2.33 -0.60 0.06 -2.12 -1.08 -1.26 -4.82 116.67 109.18 1m90 s ASP 47 Ca 0.75 1.00 0.01 0.00 -0.52 0.00 0.00 52.55 53.78 1m90 s ASP 47 Cb -0.41 0.95 -0.03 0.00 -1.46 0.00 0.00 42.92 41.96 1m90 s ASP 47 CO 0.33 -0.32 -0.06 -0.31 0.52 0.00 0.00 175.17 175.33 1m90 s TYR 48 N -0.22 0.64 -0.11 -5.34 1.51 -1.26 -5.04 117.35 107.53 1m90 s TYR 48 Ca -0.02 -0.76 0.28 0.00 -1.01 0.00 0.00 57.07 55.56 1m90 s TYR 48 Cb -0.03 -0.40 0.90 0.00 -0.11 0.00 0.00 41.96 42.32 1m90 s TYR 48 CO 0.01 -0.19 1.81 0.93 -1.11 0.00 0.00 175.55 177.01 1m90 h GLU 49 N 3.74 0.00 0.00 -0.62 4.39 -2.02 -3.00 114.58 117.07 1m90 h GLU 49 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1m90 h GLU 49 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1m90 h GLU 49 CO 0.54 0.03 0.00 -2.67 -1.16 0.00 0.00 179.01 175.75 1m90 n TRP 50 N -3.12 0.00 1.94 4.33 4.27 -1.26 -2.98 117.44 120.62 1m90 n TRP 50 Ca 0.02 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.77 1m90 n TRP 50 Cb 0.41 0.00 0.86 0.00 -1.36 0.00 0.00 31.31 31.22 1m90 n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1m90 n GLN 51 N -0.86 0.97 -3.92 -2.67 6.02 -1.14 -4.80 117.38 110.98 1m90 n GLN 51 Ca 0.16 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.05 1m90 n GLN 51 Cb 0.07 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 1m90 n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1m90 s SER 52 N -1.94 -0.02 0.43 1.08 1.04 -1.16 -5.12 113.70 108.01 1m90 s SER 52 Ca 0.43 -0.80 -0.26 0.00 0.48 0.00 0.00 55.95 55.80 1m90 s SER 52 Cb 0.20 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.70 1m90 s SER 52 CO 0.34 -0.94 1.46 -0.54 0.98 0.00 0.00 173.24 174.54 1m90 s LYS 53 N -3.95 3.81 0.30 4.02 -0.14 -1.26 -4.88 119.74 117.63 1m90 s LYS 53 Ca 0.16 2.50 0.04 0.00 -1.36 0.00 0.00 55.97 57.31 1m90 s LYS 53 Cb 0.02 -2.76 0.79 0.00 -1.68 0.00 0.00 37.83 34.20 1m90 s LYS 53 CO 0.00 -0.75 1.64 0.00 -0.76 0.00 0.00 175.35 175.48 1m90 h ALA 54 N 2.53 1.38 -0.88 5.17 0.00 -1.96 -1.34 119.26 124.15 1m90 h ALA 54 Ca -0.51 0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.04 1m90 h ALA 54 Cb 1.26 0.34 -0.26 0.00 0.00 0.00 0.00 17.79 19.13 1m90 h ALA 54 CO 0.62 -0.52 0.77 0.41 0.00 0.00 0.00 179.25 180.54 1m90 n GLY 55 N -1.38 5.47 0.00 0.00 0.00 -1.26 -5.14 105.19 102.88 1m90 n GLY 55 Ca 0.23 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1m90 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11