#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4g n GLN 2 N 0.00 2.82 -2.00 -0.67 0.00 -1.26 -4.50 117.38 111.76 1s4g n GLN 2 Ca 0.00 -2.06 -0.42 0.00 0.00 0.00 0.00 57.00 54.51 1s4g n GLN 2 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 30.24 27.97 1s4g n GLN 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1s4g n GLU 3 N 1.94 3.16 -3.59 2.61 4.71 -1.26 -4.44 120.64 123.77 1s4g n GLU 3 Ca 0.53 -2.99 -0.20 0.00 -0.01 0.00 0.00 57.16 54.49 1s4g n GLU 3 Cb 0.58 -3.15 0.05 0.00 -1.01 0.00 0.00 31.44 27.90 1s4g n GLU 3 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1s4g n SER 4 N 5.32 -2.16 -3.09 1.62 7.64 -1.26 -4.12 113.62 117.57 1s4g n SER 4 Ca 0.47 -0.77 -0.16 0.00 1.01 0.00 0.00 58.87 59.42 1s4g n SER 4 Cb 0.38 -4.40 0.02 0.00 -1.01 0.00 0.00 64.21 59.20 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g n LYS 6 N 0.15 2.10 0.00 0.00 5.02 -1.26 -1.93 118.16 122.23 1s4g n LYS 6 Ca 0.02 -1.08 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 1s4g n LYS 6 Cb 0.46 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1s4g n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s4g n GLY 7 N 2.61 1.48 3.72 0.72 0.00 -0.69 -4.69 105.19 108.35 1s4g n GLY 7 Ca 0.45 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 4.60 -0.29 1.61 0.52 -1.05 -4.32 118.95 120.02 1s4g s ARG 8 Ca 0.00 1.54 -0.25 0.00 -0.52 0.00 0.00 55.73 56.50 1s4g s ARG 8 Cb 0.00 -3.38 0.17 0.00 0.52 0.00 0.00 34.95 32.26 1s4g s ARG 8 CO 0.00 0.04 1.29 0.00 0.02 0.00 0.00 175.30 176.65 1s4g h THR 10 N 3.30 0.06 -0.73 0.00 1.35 -1.92 0.86 112.91 115.84 1s4g h THR 10 Ca -0.28 -0.07 0.14 0.00 -0.55 0.00 0.00 66.41 65.66 1s4g h THR 10 Cb 1.19 1.07 -0.10 0.00 -1.73 0.00 0.00 68.15 68.58 1s4g h THR 10 CO 0.15 0.00 0.25 -0.33 -0.25 0.00 0.00 175.52 175.35 1s4g h GLU 11 N 0.00 0.36 0.00 4.72 5.08 -1.94 -3.40 114.58 119.40 1s4g h GLU 11 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s4g h GLU 11 Cb 0.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1s4g h GLU 11 CO 0.00 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 1s4g n GLY 12 N -1.33 0.28 3.30 -3.84 0.00 -0.92 -5.07 105.19 97.62 1s4g n GLY 12 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1s4g n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s4g s PHE 13 N 0.00 -0.23 -1.38 1.61 5.36 0.25 -4.99 117.98 118.60 1s4g s PHE 13 Ca 0.00 0.20 -0.16 0.00 -0.96 0.00 0.00 56.93 56.01 1s4g s PHE 13 Cb 0.00 0.19 0.05 0.00 -0.34 0.00 0.00 43.02 42.92 1s4g s PHE 13 CO 0.00 -0.54 2.01 0.09 -1.46 0.00 0.00 175.22 175.32 1s4g n ASN 14 N 0.60 4.34 -4.08 6.13 4.13 -1.16 -2.58 115.26 122.64 1s4g n ASN 14 Ca -0.19 -2.87 -0.15 0.00 1.68 0.00 0.00 54.58 53.04 1s4g n ASN 14 Cb 0.59 -1.70 -0.12 0.00 -1.54 0.00 0.00 39.78 37.01 1s4g n ASN 14 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1s4g s VAL 15 N 3.70 0.70 -1.32 2.41 0.11 -1.26 -4.86 120.40 119.88 1s4g s VAL 15 Ca 0.50 -0.98 -0.16 0.00 -2.93 0.00 0.00 61.98 58.41 1s4g s VAL 15 Cb 0.09 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1s4g s VAL 15 CO -0.01 -0.22 2.09 0.47 -3.33 0.00 0.00 175.10 174.10 1s4g n ASP 16 N 1.72 3.80 -4.89 3.54 8.00 -1.26 -2.53 116.55 124.93 1s4g n ASP 16 Ca -0.20 -2.82 -0.29 0.00 0.71 0.00 0.00 54.79 52.18 1s4g n ASP 16 Cb 0.55 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.03 1s4g n ASP 16 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1s4g s LYS 17 N 3.76 3.69 -0.09 -1.24 -2.85 -1.26 -4.90 119.74 116.85 1s4g s LYS 17 Ca 0.51 0.27 -0.02 0.00 -1.00 0.00 0.00 55.97 55.72 1s4g s LYS 17 Cb 0.12 -2.47 -0.01 0.00 -2.06 0.00 0.00 37.83 33.41 1s4g s LYS 17 CO -0.02 0.01 -0.04 0.87 0.10 0.00 0.00 175.35 176.27 1s4g h LYS 18 N 1.20 0.00 -1.30 1.78 1.57 -1.90 -3.19 116.57 114.73 1s4g h LYS 18 Ca -0.47 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 1s4g h LYS 18 Cb 1.19 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.26 1s4g h LYS 18 CO 0.64 0.00 -0.47 0.00 -0.57 0.00 0.00 179.45 179.05 1s4g h GLN 20 N 7.77 0.00 0.00 0.00 4.15 -1.97 -3.45 115.11 121.60 1s4g h GLN 20 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1s4g h GLN 20 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1s4g h GLN 20 CO 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 177.08 1s4g s ASP 22 N -2.00 4.80 0.07 0.00 -4.77 -1.26 -4.33 116.67 109.17 1s4g s ASP 22 Ca 0.00 0.19 0.02 0.00 -3.30 0.00 0.00 52.55 49.45 1s4g s ASP 22 Cb 0.00 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.26 1s4g s ASP 22 CO 0.00 -2.86 -0.07 -1.61 0.70 0.00 0.00 175.17 171.34 1s4g s GLU 23 N 7.64 0.66 0.23 2.11 0.41 -1.26 -4.83 118.70 123.65 1s4g s GLU 23 Ca 0.79 -1.04 -0.09 0.00 -0.41 0.00 0.00 54.97 54.22 1s4g s GLU 23 Cb -0.12 -0.19 0.37 0.00 -1.78 0.00 0.00 34.13 32.41 1s4g s GLU 23 CO 0.14 0.00 1.66 1.25 -0.49 0.00 0.00 175.26 177.82 1s4g h LEU 24 N 3.72 -0.25 -0.02 1.80 6.46 -0.67 -2.14 115.31 124.21 1s4g h LEU 24 Ca -0.35 0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1s4g h LEU 24 Cb 1.18 0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 41.39 1s4g h LEU 24 CO 0.53 -0.12 0.01 0.00 -0.62 0.00 0.00 178.44 178.24 1s4g h SER 26 N -0.10 0.82 0.08 0.00 4.64 -1.37 0.93 113.55 118.54 1s4g h SER 26 Ca 0.01 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1s4g h SER 26 Cb 0.14 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1s4g h SER 26 CO -0.00 0.37 -0.02 1.88 -0.87 0.00 0.00 176.83 178.18 1s4g h TYR 27 N 0.84 0.00 0.00 4.77 0.05 -1.59 -3.10 116.97 117.95 1s4g h TYR 27 Ca 0.53 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.28 1s4g h TYR 27 Cb 0.73 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.47 1s4g h TYR 27 CO -0.00 0.02 -0.91 0.66 -1.05 0.00 0.00 178.16 176.88 1s4g n TYR 28 N -3.72 0.38 -3.75 4.88 4.01 0.14 -5.11 117.16 113.99 1s4g n TYR 28 Ca -0.03 0.16 -0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1s4g n TYR 28 Cb 0.11 -0.65 -0.02 0.00 -0.31 0.00 0.00 39.34 38.48 1s4g n TYR 28 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1s4g s GLN 29 N -2.63 1.40 2.43 -0.72 0.00 -0.14 -5.11 119.66 114.90 1s4g s GLN 29 Ca -0.24 -0.74 0.00 0.00 -0.00 0.00 0.00 55.36 54.37 1s4g s GLN 29 Cb 0.04 0.50 0.00 0.00 0.00 0.00 0.00 33.01 33.55 1s4g s GLN 29 CO 0.36 -0.64 0.00 -1.13 0.00 0.00 0.00 175.29 173.88 1s4g n SER 30 N -0.44 -2.94 0.00 12.60 3.41 -1.26 -3.30 113.62 121.69 1s4g n SER 30 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1s4g n SER 30 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1s4g n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4g h THR 33 N 0.06 1.38 0.00 0.00 1.35 -1.60 -3.48 112.91 110.63 1s4g h THR 33 Ca -0.30 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 1s4g h THR 33 Cb 2.03 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 70.68 1s4g h THR 33 CO 0.13 0.68 0.00 -0.90 -0.25 0.00 0.00 175.52 175.18 1s4g n ASP 34 N -3.81 0.00 -4.60 5.36 5.75 -1.25 -4.87 116.55 113.14 1s4g n ASP 34 Ca -0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.30 1s4g n ASP 34 Cb 0.77 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.83 1s4g n ASP 34 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1s4g s TYR 35 N 1.49 1.32 0.00 2.11 5.04 -1.26 -4.57 117.35 121.48 1s4g s TYR 35 Ca 0.00 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 1s4g s TYR 35 Cb 0.00 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.35 1s4g s TYR 35 CO 0.00 -3.72 0.00 -2.37 -1.34 0.00 0.00 175.55 168.12 1s4g n THR 36 N 7.69 0.00 0.00 4.34 5.66 -1.16 0.05 114.28 130.86 1s4g n THR 36 Ca 0.28 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.28 1s4g n THR 36 Cb 0.46 -1.80 0.00 0.00 -1.55 0.00 0.00 70.33 67.43 1s4g n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s4g n ALA 37 N -3.00 0.00 -2.35 1.79 0.00 -1.26 -4.79 120.51 110.90 1s4g n ALA 37 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1s4g n ALA 37 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1s4g n ALA 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1s4g s GLU 38 N 0.00 0.89 0.06 0.00 -6.30 -1.26 -4.58 118.70 107.50 1s4g s GLU 38 Ca 0.00 -1.27 -0.17 0.00 -2.50 0.00 0.00 54.97 51.03 1s4g s GLU 38 Cb 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 34.13 33.59 1s4g s GLU 38 CO 0.00 0.05 1.27 0.00 0.02 0.00 0.00 175.26 176.60 1s4g s LYS 40 N -4.34 2.45 -1.25 0.00 1.02 -1.26 -3.29 119.74 113.07 1s4g s LYS 40 Ca -0.08 0.62 -0.08 0.00 0.02 0.00 0.00 55.97 56.45 1s4g s LYS 40 Cb 0.03 -1.96 -0.07 0.00 -0.52 0.00 0.00 37.83 35.31 1s4g s LYS 40 CO 0.30 -1.36 2.56 -0.35 -0.92 0.00 0.00 175.35 175.58 1s4g n PRO 41 N -3.25 2.89 -3.96 -1.68 -0.04 -1.26 -4.71 135.00 122.99 1s4g n PRO 41 Ca 0.07 -1.81 -0.10 0.00 -0.04 0.00 0.00 63.50 61.62 1s4g n PRO 41 Cb 0.56 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 1s4g n PRO 41 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1s4g s GLN 42 N 2.74 1.16 0.09 0.54 -0.21 -1.26 -5.14 119.66 117.58 1s4g s GLN 42 Ca 0.55 -1.18 -0.31 0.00 0.02 0.00 0.00 55.36 54.45 1s4g s GLN 42 Cb 0.14 0.38 -0.07 0.00 1.00 0.00 0.00 33.01 34.46 1s4g s GLN 42 CO -0.05 -0.43 1.38 0.08 -2.12 0.00 0.00 175.29 174.16 1s4g s VAL 43 N -3.97 3.45 0.25 1.09 1.01 -1.26 -4.65 120.40 116.32 1s4g s VAL 43 Ca 0.17 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 1s4g s VAL 43 Cb 0.03 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1s4g s VAL 43 CO 0.00 0.06 0.95 0.28 0.00 0.00 0.00 175.10 176.39 1s4g s THR 44 N 1.39 4.06 0.00 3.92 -1.32 -1.26 -4.91 115.64 117.52 1s4g s THR 44 Ca 0.64 2.03 0.00 0.00 -1.21 0.00 0.00 61.69 63.15 1s4g s THR 44 Cb -0.35 -4.27 0.00 0.00 -1.51 0.00 0.00 72.50 66.37 1s4g s THR 44 CO 0.29 0.45 0.00 -1.14 -2.21 0.00 0.00 174.62 172.01 1s4g n ARG 45 N 1.35 0.00 -2.74 7.08 0.63 -1.26 -5.09 116.66 116.64 1s4g n ARG 45 Ca -0.01 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.89 1s4g n ARG 45 Cb 0.47 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.40 1s4g n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s4g n GLY 46 N 0.00 1.09 5.47 5.14 0.00 -1.26 -4.76 105.19 110.86 1s4g n GLY 46 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1s4g n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s4g n ASP 47 N -1.11 0.00 0.14 1.61 5.68 -1.26 -1.16 116.55 120.45 1s4g n ASP 47 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1s4g n ASP 47 Cb 0.34 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.59 1s4g n ASP 47 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1s4g h VAL 48 N 0.00 1.31 -3.21 2.12 -1.51 -2.02 -3.42 116.25 109.53 1s4g h VAL 48 Ca 0.00 -1.49 -0.45 0.00 -1.23 0.00 0.00 66.70 63.53 1s4g h VAL 48 Cb 0.00 1.75 0.06 0.00 -2.13 0.00 0.00 31.29 30.97 1s4g h VAL 48 CO 0.00 0.43 0.11 -0.36 -1.23 0.00 0.00 177.57 176.52 1s4g s PHE 49 N -4.09 2.93 -0.21 5.19 0.08 -0.31 -4.79 117.98 116.78 1s4g s PHE 49 Ca -0.03 0.26 -0.06 0.00 0.12 0.00 0.00 56.93 57.23 1s4g s PHE 49 Cb 0.14 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.65 1s4g s PHE 49 CO 0.75 -1.11 0.26 2.41 -0.10 0.00 0.00 175.22 177.43 1s4g n THR 50 N -2.63 -5.71 -1.90 0.64 -1.04 -1.26 -4.32 114.28 98.06 1s4g n THR 50 Ca 0.07 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1s4g n THR 50 Cb 0.60 -5.33 0.00 0.00 -1.82 0.00 0.00 70.33 63.78 1s4g n THR 50 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58