#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl s GLY 2 N 0.00 2.87 0.00 3.41 0.00 -1.26 -4.92 107.32 107.42 2otl s GLY 2 Ca 0.00 0.80 0.30 0.00 0.00 0.00 0.00 44.72 45.82 2otl s GLY 2 CO 0.00 1.30 2.11 0.00 0.00 0.00 0.00 173.10 176.50 2otl n ALA 3 N 0.37 2.56 -1.60 3.20 0.00 -1.26 -2.94 120.51 120.85 2otl n ALA 3 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2otl n ALA 3 Cb 0.48 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2otl n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otl n GLY 4 N 1.03 0.66 0.35 0.00 0.00 -1.26 -4.51 105.19 101.46 2otl n GLY 4 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 2otl n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2otl h THR 5 N 0.00 0.05 0.00 2.61 2.02 -2.01 0.25 112.91 115.83 2otl h THR 5 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2otl h THR 5 Cb 0.00 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 2otl h THR 5 CO 0.00 0.00 -0.03 1.55 0.37 0.00 0.00 175.52 177.41 2otl h PRO 6 N -0.00 0.00 -0.01 6.66 0.13 -1.90 -1.25 132.00 135.63 2otl h PRO 6 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 2otl h PRO 6 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2otl h PRO 6 CO -0.97 0.03 -0.06 0.43 -0.23 0.00 0.00 178.00 177.19 2otl n SER 7 N -4.11 1.07 0.10 1.44 7.64 0.84 -3.91 113.62 116.71 2otl n SER 7 Ca -0.03 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.66 2otl n SER 7 Cb 0.11 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 2otl n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2otl h GLN 8 N 1.58 0.00 0.00 1.43 1.08 -0.98 -3.37 115.11 114.86 2otl h GLN 8 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2otl h GLN 8 Cb 0.41 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2otl h GLN 8 CO 0.00 0.56 -0.08 0.78 -0.95 0.00 0.00 178.83 179.13 2otl h GLY 9 N 3.44 0.00 1.45 3.46 0.00 -1.68 -2.65 103.07 107.10 2otl h GLY 9 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2otl h GLY 9 CO 0.07 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.89 2otl n LYS 10 N -3.86 0.54 -1.35 4.80 5.02 -1.26 -4.62 118.16 117.43 2otl n LYS 10 Ca -0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 2otl n LYS 10 Cb 0.18 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 2otl n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2otl n LYS 11 N -1.23 2.59 -0.55 1.97 5.02 -1.00 -4.52 118.16 120.44 2otl n LYS 11 Ca 0.16 -2.16 0.03 0.00 -2.02 0.00 0.00 58.31 54.33 2otl n LYS 11 Cb 0.21 -2.97 0.20 0.00 -0.02 0.00 0.00 35.03 32.46 2otl n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2otl n ASN 12 N 5.61 2.50 -4.84 4.39 6.94 -1.26 -5.02 115.26 123.59 2otl n ASN 12 Ca 0.56 -3.55 -0.37 0.00 -0.02 0.00 0.00 54.58 51.20 2otl n ASN 12 Cb 0.32 -0.56 -0.06 0.00 -2.36 0.00 0.00 39.78 37.12 2otl n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2otl s THR 13 N -3.11 5.31 -0.19 5.53 2.01 -1.26 -5.08 115.64 118.86 2otl s THR 13 Ca 0.40 0.48 -0.12 0.00 0.31 0.00 0.00 61.69 62.76 2otl s THR 13 Cb 0.36 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2otl s THR 13 CO 0.00 0.57 0.22 -0.89 -0.69 0.00 0.00 174.62 173.83 2otl s THR 14 N -0.78 5.35 0.00 -0.82 2.01 -1.26 -4.97 115.64 115.17 2otl s THR 14 Ca 0.18 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.56 2otl s THR 14 Cb -0.14 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2otl s THR 14 CO 0.07 0.40 0.00 0.35 -0.69 0.00 0.00 174.62 174.75 2otl n THR 15 N 3.66 0.00 -2.31 -0.82 -2.24 -1.26 -4.79 114.28 106.52 2otl n THR 15 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 2otl n THR 15 Cb 0.52 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 2otl n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2otl s HIS 16 N 0.00 2.88 0.31 4.78 3.76 -1.26 -0.14 115.29 125.62 2otl s HIS 16 Ca 0.00 0.91 0.03 0.00 -0.15 0.00 0.00 55.06 55.85 2otl s HIS 16 Cb 0.00 -3.59 -0.06 0.00 1.11 0.00 0.00 32.58 30.04 2otl s HIS 16 CO 0.00 -2.12 0.07 0.95 -0.85 0.00 0.00 174.74 172.79 2otl s THR 17 N 2.66 1.01 0.09 1.30 -4.23 0.21 -4.75 115.64 111.93 2otl s THR 17 Ca 0.61 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.77 2otl s THR 17 Cb -0.28 -2.74 -0.14 0.00 1.34 0.00 0.00 72.50 70.68 2otl s THR 17 CO 0.23 0.00 1.56 1.17 -0.54 0.00 0.00 174.62 177.05 2otl n LYS 18 N -0.64 1.87 -2.96 3.99 3.00 -1.26 0.25 118.16 122.41 2otl n LYS 18 Ca -0.02 0.68 -0.41 0.00 -0.00 0.00 0.00 58.31 58.56 2otl n LYS 18 Cb 0.66 -2.42 -0.05 0.00 0.00 0.00 0.00 35.03 33.23 2otl n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2otl h ARG 20 N 7.33 0.02 0.00 0.00 2.43 -1.91 -0.95 114.38 121.31 2otl h ARG 20 Ca -0.31 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.62 2otl h ARG 20 Cb 1.14 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 2otl h ARG 20 CO 0.81 0.02 -1.38 -2.13 -1.51 0.00 0.00 179.97 175.78 2otl n ARG 21 N -4.39 0.56 -0.00 0.20 0.63 -1.26 -4.67 116.66 107.73 2otl n ARG 21 Ca 0.10 0.53 0.10 0.00 -0.92 0.00 0.00 57.85 57.66 2otl n ARG 21 Cb 0.59 -1.71 -0.11 0.00 0.45 0.00 0.00 32.46 31.68 2otl n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2otl n GLY 23 N 1.47 0.92 3.88 0.00 0.00 -0.37 -4.98 105.19 106.11 2otl n GLY 23 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2otl n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otl s GLU 24 N -0.03 3.74 -1.50 1.61 0.41 -1.26 -4.59 118.70 117.08 2otl s GLU 24 Ca 0.00 0.17 -0.10 0.00 -0.41 0.00 0.00 54.97 54.63 2otl s GLU 24 Cb 0.00 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.68 2otl s GLU 24 CO 0.00 0.32 2.59 1.17 -0.49 0.00 0.00 175.26 178.85 2otl n LYS 25 N -0.24 3.70 -0.10 1.61 4.81 -1.26 0.73 118.16 127.41 2otl n LYS 25 Ca -0.00 -2.67 0.01 0.00 -0.87 0.00 0.00 58.31 54.78 2otl n LYS 25 Cb 0.53 -2.88 0.01 0.00 0.02 0.00 0.00 35.03 32.71 2otl n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2otl n SER 26 N 3.77 0.71 -4.56 3.14 7.64 -0.77 -4.26 113.62 119.29 2otl n SER 26 Ca 0.66 -1.62 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 2otl n SER 26 Cb 0.28 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 2otl n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2otl s TYR 27 N -0.52 2.65 -0.62 1.43 5.04 0.14 -1.07 117.35 124.40 2otl s TYR 27 Ca 0.03 0.23 -0.27 0.00 -2.44 0.00 0.00 57.07 54.62 2otl s TYR 27 Cb 0.03 -4.37 -0.01 0.00 0.35 0.00 0.00 41.96 37.95 2otl s TYR 27 CO 0.00 -1.54 1.76 -1.58 -1.34 0.00 0.00 175.55 172.85 2otl s HIS 28 N 4.65 1.78 -0.66 4.97 5.65 0.83 0.63 115.29 133.14 2otl s HIS 28 Ca 0.38 0.65 0.05 0.00 0.25 0.00 0.00 55.06 56.39 2otl s HIS 28 Cb -0.09 -4.18 0.28 0.00 -1.18 0.00 0.00 32.58 27.40 2otl s HIS 28 CO 0.22 -2.28 1.09 -2.37 -0.65 0.00 0.00 174.74 170.75 2otl n THR 29 N 7.09 1.50 -0.10 0.89 5.66 0.80 0.16 114.28 130.28 2otl n THR 29 Ca 0.18 0.57 -0.11 0.00 -3.05 0.00 0.00 64.05 61.63 2otl n THR 29 Cb 0.51 -1.57 -0.16 0.00 -1.55 0.00 0.00 70.33 67.57 2otl n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2otl n LYS 30 N -1.63 0.68 0.03 1.09 5.02 -1.26 -4.32 118.16 117.76 2otl n LYS 30 Ca -0.00 0.02 0.05 0.00 -2.02 0.00 0.00 58.31 56.35 2otl n LYS 30 Cb 0.09 -1.53 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 2otl n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2otl n LYS 31 N -2.81 0.63 -3.31 1.97 5.02 -0.42 -4.97 118.16 114.27 2otl n LYS 31 Ca -0.34 0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 55.86 2otl n LYS 31 Cb 1.14 -1.72 0.06 0.00 -0.02 0.00 0.00 35.03 34.49 2otl n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2otl n LYS 32 N -2.68 -6.00 -3.87 1.97 4.76 0.42 -5.02 118.16 107.74 2otl n LYS 32 Ca -0.08 0.64 -0.12 0.00 -2.87 0.00 0.00 58.31 55.88 2otl n LYS 32 Cb 0.73 -5.10 -0.14 0.00 -1.84 0.00 0.00 35.03 28.68 2otl n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2otl s VAL 33 N -3.25 0.01 -0.21 -0.18 1.01 -1.20 -4.53 120.40 112.05 2otl s VAL 33 Ca 0.39 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 2otl s VAL 33 Cb -0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2otl s VAL 33 CO 0.56 0.01 0.54 0.00 0.00 0.00 0.00 175.10 176.21 2otl h SER 35 N 7.59 0.00 0.00 0.00 4.64 -1.46 -1.59 113.55 122.73 2otl h SER 35 Ca -0.32 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.77 2otl h SER 35 Cb 1.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 2otl h SER 35 CO 0.74 0.00 -1.40 -0.24 -0.87 0.00 0.00 176.83 175.07 2otl n SER 36 N -2.49 1.87 -0.49 4.97 2.88 -1.26 -4.70 113.62 114.40 2otl n SER 36 Ca 0.02 0.43 0.07 0.00 -1.33 0.00 0.00 58.87 58.07 2otl n SER 36 Cb 0.30 -0.91 0.04 0.00 -0.75 0.00 0.00 64.21 62.88 2otl n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2otl n GLY 38 N 0.92 0.60 3.68 0.00 0.00 -0.60 -0.99 105.19 108.81 2otl n GLY 38 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 2otl n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2otl n PHE 39 N -2.39 2.41 0.00 1.61 7.35 -1.26 -0.30 117.46 124.87 2otl n PHE 39 Ca 0.00 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 2otl n PHE 39 Cb 0.05 -2.65 0.00 0.00 0.35 0.00 0.00 39.48 37.23 2otl n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2otl n GLY 40 N 4.02 2.10 0.00 7.13 0.00 -1.26 -1.54 105.19 115.64 2otl n GLY 40 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 2otl n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2otl n LYS 41 N -1.50 0.08 -4.58 1.61 4.81 0.59 -4.88 118.16 114.29 2otl n LYS 41 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.23 2otl n LYS 41 Cb 0.00 -1.00 -0.15 0.00 0.02 0.00 0.00 35.03 33.90 2otl n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2otl s SER 42 N -4.00 1.58 0.16 3.14 0.15 0.45 -5.00 113.70 110.18 2otl s SER 42 Ca -0.00 -0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.34 2otl s SER 42 Cb 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2otl s SER 42 CO 0.00 0.15 1.40 0.00 1.20 0.00 0.00 173.24 175.99 2otl h ALA 43 N 5.71 0.52 -2.13 5.45 0.00 -1.96 -3.40 119.26 123.44 2otl h ALA 43 Ca -0.34 -0.61 -0.45 0.00 0.00 0.00 0.00 54.91 53.51 2otl h ALA 43 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2otl h ALA 43 CO 0.48 0.75 0.35 0.15 0.00 0.00 0.00 179.25 180.98 2otl s LYS 44 N -3.62 4.19 0.23 0.00 1.02 -1.26 -5.02 119.74 115.28 2otl s LYS 44 Ca -0.07 1.18 -0.30 0.00 0.02 0.00 0.00 55.97 56.80 2otl s LYS 44 Cb 0.10 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 35.11 2otl s LYS 44 CO 0.86 -0.07 1.23 1.03 -0.92 0.00 0.00 175.35 177.47 2otl s ARG 45 N -3.11 4.47 0.13 1.68 1.81 -1.26 -4.84 118.95 117.83 2otl s ARG 45 Ca 0.62 1.97 -0.31 0.00 -1.72 0.00 0.00 55.73 56.28 2otl s ARG 45 Cb -0.11 -3.19 -0.10 0.00 -0.45 0.00 0.00 34.95 31.10 2otl s ARG 45 CO 0.15 -0.09 1.63 0.50 -0.68 0.00 0.00 175.30 176.81 2otl s ARG 46 N -0.67 4.20 -0.28 3.54 3.52 -0.16 -4.97 118.95 124.12 2otl s ARG 46 Ca 0.52 2.39 -0.21 0.00 -0.13 0.00 0.00 55.73 58.30 2otl s ARG 46 Cb -0.35 -3.35 0.09 0.00 -1.56 0.00 0.00 34.95 29.79 2otl s ARG 46 CO 0.40 -0.68 0.81 0.34 -0.81 0.00 0.00 175.30 175.36 2otl s ASP 47 N 1.73 -0.72 0.06 -2.12 3.68 -1.26 -4.80 116.67 113.24 2otl s ASP 47 Ca 0.73 1.27 0.04 0.00 2.13 0.00 0.00 52.55 56.72 2otl s ASP 47 Cb -0.43 1.29 -0.03 0.00 -1.45 0.00 0.00 42.92 42.31 2otl s ASP 47 CO 0.32 -0.21 -0.12 -0.31 0.13 0.00 0.00 175.17 174.98 2otl s TYR 48 N 0.87 1.04 0.25 -5.34 1.51 -1.26 -5.04 117.35 109.37 2otl s TYR 48 Ca -0.04 -0.47 0.24 0.00 -1.01 0.00 0.00 57.07 55.80 2otl s TYR 48 Cb -0.05 -0.59 1.06 0.00 -0.11 0.00 0.00 41.96 42.26 2otl s TYR 48 CO -0.09 0.01 1.90 0.93 -1.11 0.00 0.00 175.55 177.19 2otl h GLU 49 N 4.39 0.00 0.00 -0.62 4.39 -2.01 -2.90 114.58 117.83 2otl h GLU 49 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2otl h GLU 49 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2otl h GLU 49 CO 0.40 0.22 0.00 -2.67 -1.16 0.00 0.00 179.01 175.80 2otl n TRP 50 N -3.52 0.00 1.50 4.33 4.27 -1.26 -2.97 117.44 119.78 2otl n TRP 50 Ca -0.01 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.75 2otl n TRP 50 Cb 0.38 0.00 0.77 0.00 -1.36 0.00 0.00 31.31 31.10 2otl n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 2otl n GLN 51 N -0.79 0.54 -3.87 -2.67 6.02 -1.10 -4.80 117.38 110.71 2otl n GLN 51 Ca 0.10 0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 57.00 2otl n GLN 51 Cb 0.04 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.74 2otl n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2otl s SER 52 N -2.44 -0.03 0.31 1.08 1.04 -1.16 -5.13 113.70 107.37 2otl s SER 52 Ca 0.32 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.74 2otl s SER 52 Cb 0.20 0.46 -0.11 0.00 0.10 0.00 0.00 66.02 66.66 2otl s SER 52 CO 0.42 -0.90 1.53 -0.54 0.98 0.00 0.00 173.24 174.73 2otl s LYS 53 N -3.92 4.15 0.40 4.02 -0.14 -1.26 -4.89 119.74 118.10 2otl s LYS 53 Ca 0.12 2.52 0.25 0.00 -1.36 0.00 0.00 55.97 57.50 2otl s LYS 53 Cb 0.02 -3.02 1.37 0.00 -1.68 0.00 0.00 37.83 34.52 2otl s LYS 53 CO -0.03 -0.55 1.60 0.00 -0.76 0.00 0.00 175.35 175.61 2otl h ALA 54 N 4.23 2.41 -1.00 5.17 0.00 -1.96 0.72 119.26 128.83 2otl h ALA 54 Ca -0.48 0.20 -0.66 0.00 0.00 0.00 0.00 54.91 53.97 2otl h ALA 54 Cb 1.23 0.27 -0.29 0.00 0.00 0.00 0.00 17.79 18.99 2otl h ALA 54 CO 0.74 -1.13 0.85 0.41 0.00 0.00 0.00 179.25 180.12 2otl n GLY 55 N -1.38 5.70 0.00 0.00 0.00 -1.26 -5.16 105.19 103.09 2otl n GLY 55 Ca 0.38 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2otl n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11