#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 -0.12 0.00 -0.67 4.20 -1.99 -3.48 115.11 113.05 1s4g h GLN 2 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1s4g h GLN 2 Cb 0.00 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1s4g h GLN 2 CO 0.00 -0.08 0.00 -0.85 -0.67 0.00 0.00 178.83 177.23 1s4g n GLU 3 N -4.11 0.00 -2.70 1.46 0.00 -1.26 -4.89 120.64 109.14 1s4g n GLU 3 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.09 1s4g n GLU 3 Cb 0.05 0.00 0.10 0.00 0.00 0.00 0.00 31.44 31.59 1s4g n GLU 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1s4g n SER 4 N -1.68 -0.94 -3.97 -1.84 3.41 -1.26 -5.00 113.62 102.34 1s4g n SER 4 Ca 0.00 -2.39 -0.35 0.00 -0.26 0.00 0.00 58.87 55.87 1s4g n SER 4 Cb 0.00 0.55 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4g n LYS 6 N -3.91 3.10 0.00 0.00 4.76 -1.26 -4.71 118.16 116.13 1s4g n LYS 6 Ca -0.10 -3.01 0.00 0.00 -2.87 0.00 0.00 58.31 52.33 1s4g n LYS 6 Cb 0.43 -3.27 0.00 0.00 -1.84 0.00 0.00 35.03 30.35 1s4g n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s4g n GLY 7 N 4.25 0.76 1.78 0.72 0.00 -1.26 -4.77 105.19 106.66 1s4g n GLY 7 Ca 0.48 -1.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 1s4g n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s4g n ARG 8 N -1.09 1.55 -1.76 1.61 -4.01 -1.26 -4.87 116.66 106.83 1s4g n ARG 8 Ca 0.00 -0.55 -0.42 0.00 -1.04 0.00 0.00 57.85 55.84 1s4g n ARG 8 Cb 0.00 -1.55 -0.03 0.00 -3.04 0.00 0.00 32.46 27.84 1s4g n ARG 8 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1s4g n THR 10 N 4.00 1.40 -0.12 0.00 -2.24 -1.26 -2.48 114.28 113.58 1s4g n THR 10 Ca 0.16 -4.86 -0.17 0.00 -2.27 0.00 0.00 64.05 56.90 1s4g n THR 10 Cb 0.36 -1.92 -0.10 0.00 -2.10 0.00 0.00 70.33 66.56 1s4g n THR 10 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s4g n GLU 11 N 0.90 0.57 0.02 -0.78 1.02 -1.26 -4.51 120.64 116.59 1s4g n GLU 11 Ca 0.27 0.14 -0.19 0.00 -0.02 0.00 0.00 57.16 57.36 1s4g n GLU 11 Cb 0.46 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 1s4g n GLU 11 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1s4g h GLY 12 N 1.53 0.73 -1.70 0.62 0.00 -1.99 -3.49 103.07 98.76 1s4g h GLY 12 Ca -0.52 -1.21 0.12 0.00 0.00 0.00 0.00 47.33 45.72 1s4g h GLY 12 CO -0.10 1.07 0.46 -0.12 0.00 0.00 0.00 176.54 177.84 1s4g s PHE 13 N -3.40 0.00 0.08 5.60 5.36 -1.26 -5.02 117.98 119.34 1s4g s PHE 13 Ca -0.11 -0.45 -0.24 0.00 -0.96 0.00 0.00 56.93 55.17 1s4g s PHE 13 Cb 0.06 0.72 -0.16 0.00 -0.34 0.00 0.00 43.02 43.30 1s4g s PHE 13 CO 0.89 -1.07 1.70 -0.97 -1.46 0.00 0.00 175.22 174.31 1s4g h ASN 14 N 2.00 -0.08 0.19 6.13 -1.24 -1.95 -3.34 115.58 117.29 1s4g h ASN 14 Ca -0.27 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.71 1s4g h ASN 14 Cb 1.23 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1s4g h ASN 14 CO 0.33 -0.03 -0.09 0.58 -1.29 0.00 0.00 177.43 176.93 1s4g h VAL 15 N -0.12 0.24 0.00 2.57 2.07 -1.96 -3.43 116.25 115.61 1s4g h VAL 15 Ca -0.01 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1s4g h VAL 15 Cb 0.10 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1s4g h VAL 15 CO 0.02 0.07 0.00 -0.67 0.02 0.00 0.00 177.57 177.01 1s4g n ASP 16 N -4.93 0.00 -2.90 0.57 2.03 -1.25 -1.39 116.55 108.67 1s4g n ASP 16 Ca -0.04 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.14 1s4g n ASP 16 Cb 0.16 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.58 1s4g n ASP 16 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1s4g n LYS 17 N 0.00 1.06 -0.29 -0.67 4.81 -1.04 -4.90 118.16 117.13 1s4g n LYS 17 Ca 0.00 -2.93 0.04 0.00 -0.87 0.00 0.00 58.31 54.55 1s4g n LYS 17 Cb 0.00 -1.26 0.25 0.00 0.02 0.00 0.00 35.03 34.04 1s4g n LYS 17 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1s4g h LYS 18 N 2.88 0.99 -1.46 1.64 1.57 -1.31 -2.24 116.57 118.65 1s4g h LYS 18 Ca -0.04 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1s4g h LYS 18 Cb 1.09 -0.22 -0.21 0.00 0.08 0.00 0.00 32.23 32.97 1s4g h LYS 18 CO 0.37 0.65 -0.10 0.00 -0.57 0.00 0.00 179.45 179.80 1s4g s GLN 20 N 2.83 1.27 0.25 0.00 -0.21 -1.26 -4.94 119.66 117.59 1s4g s GLN 20 Ca 0.03 -1.32 0.23 0.00 0.02 0.00 0.00 55.36 54.31 1s4g s GLN 20 Cb -0.12 -1.51 0.97 0.00 1.00 0.00 0.00 33.01 33.36 1s4g s GLN 20 CO -0.19 0.33 1.68 0.00 -2.12 0.00 0.00 175.29 175.00 1s4g h ASP 22 N 0.00 0.06 -4.10 0.00 2.03 -1.97 -3.44 116.42 109.00 1s4g h ASP 22 Ca 0.00 -0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 1s4g h ASP 22 Cb 0.31 -0.01 0.12 0.00 -0.83 0.00 0.00 39.33 38.92 1s4g h ASP 22 CO 0.00 0.08 0.49 -1.61 -1.03 0.00 0.00 179.24 177.16 1s4g s GLU 23 N -5.03 2.88 0.36 4.15 2.02 -0.77 -4.91 118.70 117.40 1s4g s GLU 23 Ca -0.05 1.89 0.10 0.00 0.02 0.00 0.00 54.97 56.93 1s4g s GLU 23 Cb 0.17 -1.92 0.84 0.00 0.10 0.00 0.00 34.13 33.32 1s4g s GLU 23 CO 0.68 -1.29 1.88 1.37 0.02 0.00 0.00 175.26 177.92 1s4g h LEU 24 N 0.83 0.62 0.00 1.80 -0.00 -1.89 -1.38 115.31 115.29 1s4g h LEU 24 Ca -0.51 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1s4g h LEU 24 Cb 1.31 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1s4g h LEU 24 CO 0.55 0.32 0.00 0.00 -0.00 0.00 0.00 178.44 179.31 1s4g h SER 26 N 0.00 0.00 0.00 0.00 0.02 -1.53 -0.65 113.55 111.39 1s4g h SER 26 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1s4g h SER 26 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1s4g h SER 26 CO 0.00 0.31 0.00 -1.22 -1.14 0.00 0.00 176.83 174.78 1s4g n TYR 27 N -3.47 0.00 -2.51 3.45 4.01 -0.83 -4.25 117.16 113.56 1s4g n TYR 27 Ca -0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 1s4g n TYR 27 Cb 0.48 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.42 1s4g n TYR 27 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1s4g s TYR 28 N -0.34 3.17 0.00 -0.72 -0.85 -1.22 -3.76 117.35 113.63 1s4g s TYR 28 Ca 0.00 1.55 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 1s4g s TYR 28 Cb 0.00 -2.95 0.00 0.00 0.38 0.00 0.00 41.96 39.39 1s4g s TYR 28 CO 0.00 -0.59 0.00 0.94 -1.52 0.00 0.00 175.55 174.38 1s4g n GLN 29 N -1.17 0.00 -1.69 -3.49 0.00 -1.26 -4.35 117.38 105.42 1s4g n GLN 29 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.08 1s4g n GLN 29 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.77 1s4g n GLN 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1s4g n SER 30 N 2.57 -2.67 0.06 1.69 7.64 -0.64 -4.95 113.62 117.32 1s4g n SER 30 Ca 0.00 -0.02 -0.18 0.00 1.01 0.00 0.00 58.87 59.68 1s4g n SER 30 Cb 0.00 -1.45 -0.09 0.00 -1.01 0.00 0.00 64.21 61.66 1s4g n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g n THR 33 N 2.87 0.00 0.00 0.00 -1.04 -1.26 -4.59 114.28 110.26 1s4g n THR 33 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1s4g n THR 33 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 1s4g n THR 33 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1s4g n ASP 34 N 2.33 0.00 -4.10 8.00 2.03 -1.22 -4.67 116.55 118.92 1s4g n ASP 34 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1s4g n ASP 34 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1s4g n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s4g n TYR 35 N 0.00 3.99 -0.18 -0.67 9.36 -0.88 -4.01 117.16 124.77 1s4g n TYR 35 Ca 0.00 -2.94 -0.10 0.00 3.32 0.00 0.00 57.90 58.19 1s4g n TYR 35 Cb 0.00 -2.52 0.01 0.00 -0.63 0.00 0.00 39.34 36.20 1s4g n TYR 35 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1s4g h THR 36 N 4.60 1.26 -3.05 2.97 2.02 -1.22 -3.40 112.91 116.08 1s4g h THR 36 Ca 0.50 -1.07 -0.57 0.00 0.77 0.00 0.00 66.41 66.03 1s4g h THR 36 Cb 0.74 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1s4g h THR 36 CO 1.67 0.38 1.10 0.00 0.37 0.00 0.00 175.52 179.04 1s4g s ALA 37 N -5.04 3.10 0.33 6.16 0.00 -1.26 -3.97 121.76 121.09 1s4g s ALA 37 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1s4g s ALA 37 Cb 0.12 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1s4g s ALA 37 CO 0.83 -2.27 0.00 0.39 0.00 0.00 0.00 175.76 174.71 1s4g n GLU 38 N 7.96 -2.00 -0.13 0.00 -0.58 -1.26 -4.92 120.64 119.71 1s4g n GLU 38 Ca 0.18 1.54 -0.25 0.00 -0.42 0.00 0.00 57.16 58.22 1s4g n GLU 38 Cb 0.47 -2.37 -0.08 0.00 -0.57 0.00 0.00 31.44 28.89 1s4g n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s4g n LYS 40 N -4.31 1.76 -1.37 0.00 2.85 -1.26 -4.88 118.16 110.96 1s4g n LYS 40 Ca -0.44 0.63 -0.37 0.00 -1.05 0.00 0.00 58.31 57.08 1s4g n LYS 40 Cb 0.79 -2.36 0.05 0.00 -0.65 0.00 0.00 35.03 32.87 1s4g n LYS 40 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1s4g n PRO 41 N -0.17 0.43 0.14 -1.58 -0.02 -1.25 -4.72 135.00 127.83 1s4g n PRO 41 Ca 0.08 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1s4g n PRO 41 Cb 0.41 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1s4g n PRO 41 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1s4g n GLN 42 N -0.45 0.00 -0.03 -0.52 7.27 -1.26 -4.83 117.38 117.56 1s4g n GLN 42 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.18 1s4g n GLN 42 Cb 0.49 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.14 1s4g n GLN 42 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1s4g h VAL 43 N 0.00 0.00 0.00 1.69 2.07 -1.93 -3.47 116.25 114.61 1s4g h VAL 43 Ca 0.00 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1s4g h VAL 43 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1s4g h VAL 43 CO 0.00 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.00 1s4g n THR 44 N -4.30 0.00 0.04 2.57 -1.04 -1.26 -4.90 114.28 105.39 1s4g n THR 44 Ca -0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1s4g n THR 44 Cb 0.01 -0.11 -0.13 0.00 -1.82 0.00 0.00 70.33 68.27 1s4g n THR 44 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1s4g h ARG 45 N 0.00 0.09 0.00 -2.82 2.43 -1.97 -3.47 114.38 108.64 1s4g h ARG 45 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1s4g h ARG 45 Cb 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1s4g h ARG 45 CO 0.00 0.92 0.00 0.41 -1.51 0.00 0.00 179.97 179.79 1s4g n GLY 46 N 1.50 0.36 3.47 2.80 0.00 -1.26 -3.97 105.19 108.10 1s4g n GLY 46 Ca -0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 1s4g n GLY 46 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s4g s ASP 47 N 0.00 -0.46 0.00 1.61 -4.77 -1.26 -4.69 116.67 107.11 1s4g s ASP 47 Ca 0.00 0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.27 1s4g s ASP 47 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 42.92 42.31 1s4g s ASP 47 CO 0.00 -0.76 0.00 0.52 0.70 0.00 0.00 175.17 175.63 1s4g n VAL 48 N -0.27 0.00 -1.54 2.11 0.31 -1.26 -4.56 118.33 113.12 1s4g n VAL 48 Ca -0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.80 1s4g n VAL 48 Cb 0.63 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.00 1.48 -3.49 3.52 7.35 -1.26 -1.51 117.46 123.55 1s4g n PHE 49 Ca 0.00 0.11 -0.18 0.00 -0.76 0.00 0.00 57.45 56.62 1s4g n PHE 49 Cb 0.00 -2.62 0.08 0.00 0.35 0.00 0.00 39.48 37.29 1s4g n PHE 49 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1s4g n THR 50 N 7.78 -5.64 1.22 -2.13 -1.04 -1.26 -4.40 114.28 108.81 1s4g n THR 50 Ca 0.39 -0.50 0.10 0.00 -2.04 0.00 0.00 64.05 62.00 1s4g n THR 50 Cb 0.42 -4.72 0.58 0.00 -1.82 0.00 0.00 70.33 64.79 1s4g n THR 50 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58