#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4g h GLN 2 N 0.00 0.20 -3.23 -1.24 4.15 -1.90 -3.19 115.11 109.89 1s4g h GLN 2 Ca 0.00 -0.01 -0.74 0.00 0.77 0.00 0.00 58.65 58.67 1s4g h GLN 2 Cb 0.00 -0.04 -0.12 0.00 0.21 0.00 0.00 27.48 27.52 1s4g h GLN 2 CO 0.00 0.13 2.36 0.39 -1.93 0.00 0.00 178.83 179.78 1s4g n GLU 3 N -5.04 3.87 0.00 1.69 1.02 -1.26 -4.95 120.64 115.98 1s4g n GLU 3 Ca -0.01 -3.34 0.00 0.00 -0.02 0.00 0.00 57.16 53.78 1s4g n GLU 3 Cb 0.09 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.66 1s4g n GLU 3 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1s4g n SER 4 N 3.35 0.00 -2.92 1.62 7.64 -1.21 -2.87 113.62 119.23 1s4g n SER 4 Ca 0.50 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.25 1s4g n SER 4 Cb 0.32 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g h LYS 6 N 2.96 0.15 0.00 0.00 2.10 -1.89 -3.44 116.57 116.44 1s4g h LYS 6 Ca -0.01 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1s4g h LYS 6 Cb 1.08 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1s4g h LYS 6 CO 0.46 0.71 0.00 0.41 -2.00 0.00 0.00 179.45 179.02 1s4g n GLY 7 N 0.24 -0.02 2.80 0.07 0.00 -1.26 -5.04 105.19 101.98 1s4g n GLY 7 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1s4g n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4g s ARG 8 N -0.74 -0.02 0.34 1.61 0.52 0.67 -4.84 118.95 116.49 1s4g s ARG 8 Ca 0.00 0.19 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 1s4g s ARG 8 Cb 0.00 -0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.24 1s4g s ARG 8 CO 0.00 -0.15 0.37 0.00 0.02 0.00 0.00 175.30 175.54 1s4g h THR 10 N 2.12 0.84 -0.74 0.00 2.02 -1.95 0.66 112.91 115.85 1s4g h THR 10 Ca -0.26 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.32 1s4g h THR 10 Cb 1.24 0.84 -0.10 0.00 -1.74 0.00 0.00 68.15 68.38 1s4g h THR 10 CO 0.37 0.00 1.82 -1.84 0.37 0.00 0.00 175.52 176.24 1s4g n GLU 11 N -5.18 3.52 0.00 6.66 0.00 -1.26 -4.37 120.64 120.01 1s4g n GLU 11 Ca -0.07 -2.59 0.00 0.00 0.00 0.00 0.00 57.16 54.50 1s4g n GLU 11 Cb 0.11 -2.46 0.00 0.00 0.00 0.00 0.00 31.44 29.09 1s4g n GLU 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s4g n GLY 12 N 1.99 -0.70 5.00 -1.84 0.00 -1.21 -5.06 105.19 103.37 1s4g n GLY 12 Ca 0.60 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.99 1s4g n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1s4g n PHE 13 N 0.00 0.00 -2.40 1.61 7.35 0.22 -4.78 117.46 119.45 1s4g n PHE 13 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1s4g n PHE 13 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1s4g n PHE 13 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1s4g n ASN 14 N 1.80 -5.33 0.00 -2.13 2.85 -1.26 -4.30 115.26 106.89 1s4g n ASN 14 Ca 0.00 1.08 0.15 0.00 -0.11 0.00 0.00 54.58 55.70 1s4g n ASN 14 Cb 0.00 -4.29 0.78 0.00 1.24 0.00 0.00 39.78 37.51 1s4g n ASN 14 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1s4g n VAL 15 N 0.70 0.01 -0.16 3.44 3.14 -1.26 -3.58 118.33 120.62 1s4g n VAL 15 Ca -0.07 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.24 1s4g n VAL 15 Cb 0.11 -0.51 0.01 0.00 -1.06 0.00 0.00 33.84 32.39 1s4g n VAL 15 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1s4g h ASP 16 N 0.00 0.55 -2.28 6.55 3.58 -2.00 -3.34 116.42 119.48 1s4g h ASP 16 Ca 0.00 -0.02 -0.55 0.00 0.42 0.00 0.00 57.03 56.88 1s4g h ASP 16 Cb 0.24 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.17 1s4g h ASP 16 CO 0.00 0.41 1.30 -0.54 -2.88 0.00 0.00 179.24 177.53 1s4g s LYS 17 N -6.13 3.87 -0.15 0.28 1.02 -1.23 -4.86 119.74 112.54 1s4g s LYS 17 Ca -0.13 2.44 -0.23 0.00 0.02 0.00 0.00 55.97 58.07 1s4g s LYS 17 Cb 0.12 -4.21 -0.24 0.00 -0.52 0.00 0.00 37.83 32.97 1s4g s LYS 17 CO 0.74 -1.26 0.52 0.87 -0.92 0.00 0.00 175.35 175.30 1s4g h LYS 18 N 11.75 0.07 -1.00 1.68 1.79 -1.89 -3.49 116.57 125.47 1s4g h LYS 18 Ca -0.47 -0.11 0.22 0.00 -2.18 0.00 0.00 60.65 58.10 1s4g h LYS 18 Cb 1.24 0.04 -0.34 0.00 -1.58 0.00 0.00 32.23 31.59 1s4g h LYS 18 CO 0.95 1.05 0.78 0.00 -1.08 0.00 0.00 179.45 181.15 1s4g n GLN 20 N 3.07 0.07 0.00 0.00 7.27 -1.26 -1.19 117.38 125.34 1s4g n GLN 20 Ca -0.17 0.03 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1s4g n GLN 20 Cb 0.56 -0.62 0.00 0.00 2.41 0.00 0.00 30.24 32.59 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4g s ASP 22 N 0.00 6.48 0.11 0.00 2.15 -1.26 -3.75 116.67 120.40 1s4g s ASP 22 Ca 0.00 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1s4g s ASP 22 Cb 0.00 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1s4g s ASP 22 CO 0.00 -1.07 0.00 -0.62 -0.17 0.00 0.00 175.17 173.31 1s4g n GLU 23 N 7.19 0.00 0.00 4.34 -0.58 -1.26 -4.78 120.64 125.55 1s4g n GLU 23 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1s4g n GLU 23 Cb 0.48 -0.32 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 1s4g n GLU 23 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1s4g n LEU 24 N -3.24 0.00 -1.97 -4.62 7.94 -1.26 -0.24 117.00 113.61 1s4g n LEU 24 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1s4g n LEU 24 Cb 0.12 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.92 1s4g n LEU 24 CO 0.00 0.00 1.54 0.00 -1.11 0.00 0.00 177.39 177.82 1s4g n SER 26 N 2.43 4.60 0.03 0.00 7.64 -1.26 -0.87 113.62 126.19 1s4g n SER 26 Ca 0.38 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1s4g n SER 26 Cb 0.86 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1s4g n SER 26 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1s4g n TYR 27 N -0.20 -1.24 0.22 1.43 4.01 -1.26 -4.76 117.16 115.36 1s4g n TYR 27 Ca 0.34 0.14 0.09 0.00 -0.16 0.00 0.00 57.90 58.31 1s4g n TYR 27 Cb 0.95 0.71 0.51 0.00 -0.31 0.00 0.00 39.34 41.19 1s4g n TYR 27 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1s4g h TYR 28 N 0.00 0.00 -6.47 -0.72 0.05 -1.92 -3.47 116.97 104.44 1s4g h TYR 28 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 1s4g h TYR 28 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1s4g h TYR 28 CO 0.00 0.24 -0.90 0.00 -1.05 0.00 0.00 178.16 176.45 1s4g n GLN 29 N -3.58 -2.88 -0.07 4.88 10.64 -0.05 -4.93 117.38 121.40 1s4g n GLN 29 Ca -0.01 0.40 -0.12 0.00 -1.83 0.00 0.00 57.00 55.45 1s4g n GLN 29 Cb 0.38 -4.40 -0.09 0.00 -0.86 0.00 0.00 30.24 25.27 1s4g n GLN 29 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1s4g h SER 30 N -1.87 0.00 0.07 2.61 4.64 -1.89 -3.36 113.55 113.76 1s4g h SER 30 Ca -0.64 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.08 1s4g h SER 30 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1s4g h SER 30 CO 0.60 0.96 -0.08 0.00 -0.87 0.00 0.00 176.83 177.44 1s4g n THR 33 N -4.47 -1.84 -3.76 0.00 -1.04 -1.26 -4.03 114.28 97.87 1s4g n THR 33 Ca 0.13 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.84 1s4g n THR 33 Cb 0.51 -3.11 0.02 0.00 -1.82 0.00 0.00 70.33 65.93 1s4g n THR 33 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1s4g n ASP 34 N -1.67 -5.12 -3.80 8.00 9.92 -1.26 -5.00 116.55 117.63 1s4g n ASP 34 Ca -0.05 -0.97 -0.12 0.00 -0.53 0.00 0.00 54.79 53.11 1s4g n ASP 34 Cb 0.57 -2.52 -0.09 0.00 -0.64 0.00 0.00 41.12 38.45 1s4g n ASP 34 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1s4g s TYR 35 N -3.26 -0.09 -1.00 1.24 5.04 -1.06 -4.78 117.35 113.43 1s4g s TYR 35 Ca 0.26 0.10 -0.23 0.00 -2.44 0.00 0.00 57.07 54.76 1s4g s TYR 35 Cb -0.12 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.26 1s4g s TYR 35 CO 0.89 -0.37 1.56 0.95 -1.34 0.00 0.00 175.55 177.25 1s4g s THR 36 N -1.46 3.82 -0.04 4.34 -4.23 -1.26 -4.57 115.64 112.24 1s4g s THR 36 Ca -0.13 -0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 59.61 1s4g s THR 36 Cb -0.06 -4.84 0.01 0.00 1.34 0.00 0.00 72.50 68.95 1s4g s THR 36 CO 0.03 -1.73 0.17 0.00 -0.54 0.00 0.00 174.62 172.55 1s4g s ALA 37 N 6.05 -0.42 0.09 3.99 0.00 -1.26 -2.97 121.76 127.25 1s4g s ALA 37 Ca 0.51 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 1s4g s ALA 37 Cb -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.88 1s4g s ALA 37 CO -0.08 -0.13 1.59 1.49 0.00 0.00 0.00 175.76 178.63 1s4g h GLU 38 N 5.25 0.37 0.00 0.00 4.81 -1.43 -3.19 114.58 120.40 1s4g h GLU 38 Ca -0.27 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1s4g h GLU 38 Cb 1.20 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1s4g h GLU 38 CO 0.40 0.48 0.00 0.00 -0.73 0.00 0.00 179.01 179.16 1s4g s LYS 40 N 0.00 4.24 0.33 0.00 3.01 -1.26 -4.73 119.74 121.33 1s4g s LYS 40 Ca 0.00 2.36 0.26 0.00 -1.01 0.00 0.00 55.97 57.58 1s4g s LYS 40 Cb 0.00 -3.06 1.10 0.00 -1.01 0.00 0.00 37.83 34.85 1s4g s LYS 40 CO 0.00 -0.40 1.78 -1.00 0.51 0.00 0.00 175.35 176.23 1s4g h PRO 41 N 4.22 0.00 0.00 -1.68 0.13 -2.01 -2.34 132.00 130.32 1s4g h PRO 41 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1s4g h PRO 41 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1s4g h PRO 41 CO 0.72 0.00 -0.07 -0.56 -0.23 0.00 0.00 178.00 177.86 1s4g h GLN 42 N 0.00 0.00 -2.87 0.86 3.07 -2.03 -3.33 115.11 110.81 1s4g h GLN 42 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 58.13 1s4g h GLN 42 Cb 0.37 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 27.53 1s4g h GLN 42 CO 0.00 0.07 -0.76 0.14 0.09 0.00 0.00 178.83 178.38 1s4g s VAL 43 N -4.25 1.46 -1.43 1.86 -7.23 -0.88 -5.02 120.40 104.92 1s4g s VAL 43 Ca -0.03 -2.90 -0.13 0.00 -1.81 0.00 0.00 61.98 57.11 1s4g s VAL 43 Cb 0.13 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 1s4g s VAL 43 CO 0.56 -0.99 2.43 0.35 -0.31 0.00 0.00 175.10 177.14 1s4g n THR 44 N 3.10 3.53 -3.15 5.32 -2.24 -1.25 -2.03 114.28 117.56 1s4g n THR 44 Ca 0.15 -2.67 -0.17 0.00 -2.27 0.00 0.00 64.05 59.09 1s4g n THR 44 Cb 0.37 -2.56 -0.06 0.00 -2.10 0.00 0.00 70.33 65.99 1s4g n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s4g s ARG 45 N 3.04 0.95 -1.26 -0.78 1.70 -1.16 -4.60 118.95 116.84 1s4g s ARG 45 Ca 0.55 -1.60 -0.14 0.00 -0.47 0.00 0.00 55.73 54.08 1s4g s ARG 45 Cb 0.15 -0.82 0.14 0.00 -0.57 0.00 0.00 34.95 33.85 1s4g s ARG 45 CO -0.06 -1.35 1.66 0.41 -1.08 0.00 0.00 175.30 174.88 1s4g n GLY 46 N 3.01 3.62 0.33 3.88 0.00 -1.20 -3.41 105.19 111.41 1s4g n GLY 46 Ca 0.24 -1.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 1s4g n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s4g h ASP 47 N 6.81 -0.74 0.00 1.61 3.32 -1.86 -2.06 116.42 123.50 1s4g h ASP 47 Ca 0.38 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1s4g h ASP 47 Cb 0.80 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1s4g h ASP 47 CO 1.42 -0.47 0.00 0.52 -1.72 0.00 0.00 179.24 179.00 1s4g n VAL 48 N -5.43 0.00 -2.29 -1.35 0.31 -1.26 -3.73 118.33 104.58 1s4g n VAL 48 Ca -0.11 1.07 -0.43 0.00 -0.01 0.00 0.00 64.34 64.86 1s4g n VAL 48 Cb 0.33 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 1s4g n VAL 48 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1s4g n PHE 49 N -1.86 4.07 -0.03 3.52 7.35 -0.33 -4.56 117.46 125.62 1s4g n PHE 49 Ca 0.00 -2.95 -0.12 0.00 -0.76 0.00 0.00 57.45 53.62 1s4g n PHE 49 Cb 0.00 -2.46 -0.06 0.00 0.35 0.00 0.00 39.48 37.31 1s4g n PHE 49 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1s4g h THR 50 N 4.63 1.18 0.00 -2.13 2.02 -1.45 -3.41 112.91 113.74 1s4g h THR 50 Ca 0.47 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1s4g h THR 50 Cb 0.75 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1s4g h THR 50 CO 1.61 0.16 0.00 1.15 0.37 0.00 0.00 175.52 178.81