#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 0.66 -4.92 -1.24 4.20 -1.89 -1.62 115.11 110.29 1s4g h GLN 2 Ca 0.00 -0.06 -0.67 0.00 0.06 0.00 0.00 58.65 57.98 1s4g h GLN 2 Cb 0.00 -0.14 -0.33 0.00 0.30 0.00 0.00 27.48 27.31 1s4g h GLN 2 CO 0.00 0.48 -0.77 -2.00 -0.67 0.00 0.00 178.83 175.87 1s4g s GLU 3 N -6.01 2.78 1.31 1.46 -6.30 -1.26 -4.18 118.70 106.50 1s4g s GLU 3 Ca -0.13 -1.01 0.00 0.00 -2.50 0.00 0.00 54.97 51.33 1s4g s GLU 3 Cb 0.12 -2.92 0.00 0.00 0.00 0.00 0.00 34.13 31.33 1s4g s GLU 3 CO 0.74 -0.40 0.00 -1.13 0.02 0.00 0.00 175.26 174.50 1s4g n SER 4 N 4.63 0.00 -3.58 -1.70 3.41 -1.26 -4.57 113.62 110.55 1s4g n SER 4 Ca -0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.22 1s4g n SER 4 Cb 0.47 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.26 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 5.30 0.00 -0.02 0.00 5.02 -1.26 -4.45 118.16 122.75 1s4g n LYS 6 Ca -0.06 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1s4g n LYS 6 Cb 0.49 -0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1s4g n LYS 6 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1s4g h GLY 7 N 0.00 0.00 -5.01 0.72 0.00 -1.94 0.06 103.07 96.91 1s4g h GLY 7 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s4g h GLY 7 CO 0.00 0.00 0.07 1.09 0.00 0.00 0.00 176.54 177.70 1s4g s ARG 8 N -1.27 0.76 -0.55 4.80 1.70 -1.26 -1.79 118.95 121.33 1s4g s ARG 8 Ca -0.01 1.13 0.07 0.00 -0.47 0.00 0.00 55.73 56.44 1s4g s ARG 8 Cb 0.00 0.25 0.24 0.00 -0.57 0.00 0.00 34.95 34.88 1s4g s ARG 8 CO 0.02 -0.13 0.65 0.00 -1.08 0.00 0.00 175.30 174.76 1s4g n THR 10 N 1.12 0.00 0.00 0.00 -2.24 -1.26 -4.12 114.28 107.78 1s4g n THR 10 Ca 0.27 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1s4g n THR 10 Cb 0.45 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.08 0.00 -3.20 -0.78 4.71 -1.26 -4.96 120.64 115.07 1s4g n GLU 11 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1s4g n GLU 11 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 1s4g n GLU 11 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1s4g s GLY 12 N 0.00 -1.27 0.00 0.62 0.00 -1.26 -5.02 107.32 100.39 1s4g s GLY 12 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1s4g s GLY 12 CO 0.00 3.68 0.00 1.97 0.00 0.00 0.00 173.10 178.75 1s4g n PHE 13 N 4.51 0.00 -2.80 1.90 1.16 -1.26 -5.03 117.46 115.94 1s4g n PHE 13 Ca 0.10 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.25 1s4g n PHE 13 Cb 0.57 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.43 1s4g n PHE 13 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1s4g s ASN 14 N -4.00 6.90 -1.39 5.98 3.84 -0.61 -4.90 114.94 120.76 1s4g s ASN 14 Ca 0.00 -2.58 -0.16 0.00 0.21 0.00 0.00 52.86 50.33 1s4g s ASN 14 Cb 0.00 -2.47 0.05 0.00 -0.55 0.00 0.00 41.25 38.28 1s4g s ASN 14 CO 0.00 -0.98 2.03 0.52 -2.79 0.00 0.00 177.10 175.88 1s4g n VAL 15 N 5.48 3.63 0.09 -5.21 0.31 -1.26 -3.74 118.33 117.62 1s4g n VAL 15 Ca 0.39 -3.43 -0.08 0.00 -0.01 0.00 0.00 64.34 61.20 1s4g n VAL 15 Cb 0.45 -2.50 -0.01 0.00 -0.91 0.00 0.00 33.84 30.87 1s4g n VAL 15 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1s4g h ASP 16 N 6.66 0.21 -1.37 4.52 3.58 -1.81 -3.47 116.42 124.74 1s4g h ASP 16 Ca 0.52 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1s4g h ASP 16 Cb 0.73 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1s4g h ASP 16 CO 1.72 0.99 0.00 0.29 -2.88 0.00 0.00 179.24 179.36 1s4g n LYS 17 N -3.63 1.40 -2.99 0.28 4.76 -1.26 -5.09 118.16 111.63 1s4g n LYS 17 Ca -0.03 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.27 1s4g n LYS 17 Cb 0.81 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.98 1s4g n LYS 17 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1s4g n LYS 18 N 0.00 0.49 -2.67 1.97 3.00 -1.26 -4.68 118.16 115.01 1s4g n LYS 18 Ca 0.00 -2.45 -0.03 0.00 -0.00 0.00 0.00 58.31 55.83 1s4g n LYS 18 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s4g s GLN 20 N -2.63 1.60 0.64 0.00 -0.21 -1.24 -3.39 119.66 114.43 1s4g s GLN 20 Ca 0.11 -1.91 0.42 0.00 0.02 0.00 0.00 55.36 54.00 1s4g s GLN 20 Cb -0.03 -0.22 2.19 0.00 1.00 0.00 0.00 33.01 35.95 1s4g s GLN 20 CO 0.61 -0.41 2.29 0.00 -2.12 0.00 0.00 175.29 175.67 1s4g h ASP 22 N 0.00 0.67 -3.70 0.00 5.19 -1.93 -3.43 116.42 113.23 1s4g h ASP 22 Ca -0.00 0.08 -0.49 0.00 -0.62 0.00 0.00 57.03 56.00 1s4g h ASP 22 Cb 0.10 -0.04 0.03 0.00 0.18 0.00 0.00 39.33 39.61 1s4g h ASP 22 CO 0.00 0.30 0.15 -1.61 -3.12 0.00 0.00 179.24 174.96 1s4g s GLU 23 N -5.95 3.60 0.33 3.56 2.02 -0.24 -4.25 118.70 117.78 1s4g s GLU 23 Ca -0.12 0.33 0.07 0.00 0.02 0.00 0.00 54.97 55.27 1s4g s GLU 23 Cb 0.22 -2.34 0.58 0.00 0.10 0.00 0.00 34.13 32.69 1s4g s GLU 23 CO 0.79 -0.22 1.79 -0.07 0.02 0.00 0.00 175.26 177.57 1s4g h LEU 24 N 0.37 0.28 -8.01 1.80 3.38 -0.61 -3.35 115.31 109.16 1s4g h LEU 24 Ca -0.47 -0.09 -0.44 0.00 0.09 0.00 0.00 57.88 56.98 1s4g h LEU 24 Cb 1.20 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 1s4g h LEU 24 CO 0.62 0.55 1.34 0.00 0.09 0.00 0.00 178.44 181.04 1s4g n SER 26 N 12.23 -0.04 0.22 0.00 3.41 -1.26 -3.59 113.62 124.60 1s4g n SER 26 Ca 0.44 0.29 0.06 0.00 -0.26 0.00 0.00 58.87 59.40 1s4g n SER 26 Cb 0.47 0.21 0.51 0.00 -0.26 0.00 0.00 64.21 65.14 1s4g n SER 26 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1s4g h TYR 27 N 0.00 0.00 -1.86 7.33 -0.00 -1.90 -0.14 116.97 120.40 1s4g h TYR 27 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 58.73 58.07 1s4g h TYR 27 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 36.73 36.75 1s4g h TYR 27 CO 0.00 0.24 1.00 0.66 -0.00 0.00 0.00 178.16 180.06 1s4g n TYR 28 N -4.03 2.21 -4.49 0.10 4.02 -1.26 -1.17 117.16 112.54 1s4g n TYR 28 Ca -0.02 0.22 -0.41 0.00 -0.01 0.00 0.00 57.90 57.67 1s4g n TYR 28 Cb 0.31 -2.58 -0.07 0.00 -0.02 0.00 0.00 39.34 36.98 1s4g n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s4g n GLN 29 N 5.95 -1.10 -4.30 -0.72 10.64 -1.26 -2.07 117.38 124.52 1s4g n GLN 29 Ca 0.24 0.17 -0.31 0.00 -1.83 0.00 0.00 57.00 55.27 1s4g n GLN 29 Cb 0.23 -4.72 -0.10 0.00 -0.86 0.00 0.00 30.24 24.79 1s4g n GLN 29 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1s4g n SER 30 N -2.51 0.77 0.12 2.61 7.64 -0.32 -4.58 113.62 117.35 1s4g n SER 30 Ca 0.09 -1.25 -0.19 0.00 1.01 0.00 0.00 58.87 58.53 1s4g n SER 30 Cb 0.47 -1.56 -0.15 0.00 -1.01 0.00 0.00 64.21 61.96 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 2.71 0.00 0.00 0.00 -1.04 -1.26 -4.55 114.28 110.14 1s4g n THR 33 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1s4g n THR 33 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 2.65 0.00 -2.62 8.00 2.03 -1.22 -4.50 116.55 120.88 1s4g n ASP 34 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1s4g n ASP 34 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 -0.28 1.40 -2.30 -0.67 9.36 -0.98 -4.83 117.16 118.86 1s4g n TYR 35 Ca 0.00 -2.11 -0.41 0.00 3.32 0.00 0.00 57.90 58.70 1s4g n TYR 35 Cb 0.00 -1.66 -0.01 0.00 -0.63 0.00 0.00 39.34 37.04 1s4g n TYR 35 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1s4g n THR 36 N 1.84 3.55 0.00 2.97 5.66 -0.19 -3.94 114.28 124.16 1s4g n THR 36 Ca 0.53 -3.57 0.00 0.00 -3.05 0.00 0.00 64.05 57.97 1s4g n THR 36 Cb 0.57 -2.38 0.00 0.00 -1.55 0.00 0.00 70.33 66.97 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 8.60 2.56 -3.56 1.79 0.00 -1.17 -4.91 120.51 123.82 1s4g n ALA 37 Ca 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 1s4g n ALA 37 Cb 0.44 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.57 0.91 -0.17 0.00 2.56 -1.25 -4.84 118.70 114.34 1s4g s GLU 38 Ca 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 54.97 55.39 1s4g s GLU 38 Cb 0.00 0.43 -0.23 0.00 2.00 0.00 0.00 34.13 36.33 1s4g s GLU 38 CO 0.00 -0.24 0.17 0.00 -0.56 0.00 0.00 175.26 174.63 1s4g n LYS 40 N -3.33 1.56 -2.10 0.00 5.02 -1.26 -4.83 118.16 113.23 1s4g n LYS 40 Ca -0.36 0.57 -0.40 0.00 -2.02 0.00 0.00 58.31 56.10 1s4g n LYS 40 Cb 1.03 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1s4g n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1s4g s PRO 41 N 1.20 2.91 -0.00 1.97 0.04 -1.26 -4.93 135.00 134.92 1s4g s PRO 41 Ca 0.85 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1s4g s PRO 41 Cb -0.85 -4.30 -0.01 0.00 0.04 0.00 0.00 34.50 29.39 1s4g s PRO 41 CO 0.46 -2.39 0.04 -0.65 0.04 0.00 0.00 177.00 174.51 1s4g s GLN 42 N 6.45 0.26 0.08 4.56 -0.21 -1.06 -4.89 119.66 124.84 1s4g s GLN 42 Ca 0.67 -0.29 -0.20 0.00 0.02 0.00 0.00 55.36 55.56 1s4g s GLN 42 Cb -0.14 0.10 -0.07 0.00 1.00 0.00 0.00 33.01 33.90 1s4g s GLN 42 CO 0.24 -0.05 0.58 0.08 -2.12 0.00 0.00 175.29 174.02 1s4g s VAL 43 N -0.87 4.72 0.00 1.09 1.01 -1.26 -2.81 120.40 122.28 1s4g s VAL 43 Ca -0.10 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1s4g s VAL 43 Cb -0.06 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1s4g s VAL 43 CO 0.00 0.55 0.00 1.07 0.00 0.00 0.00 175.10 176.72 1s4g n THR 44 N 1.72 0.00 0.02 3.92 5.66 -1.26 -5.01 114.28 119.33 1s4g n THR 44 Ca -0.10 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.89 1s4g n THR 44 Cb 0.51 -0.04 -0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1s4g n THR 44 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1s4g h ARG 45 N 0.00 -0.06 0.00 1.09 3.08 -1.91 -3.49 114.38 113.10 1s4g h ARG 45 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s4g h ARG 45 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1s4g h ARG 45 CO 0.00 -0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.27 1s4g n GLY 46 N 0.96 1.68 3.68 0.04 0.00 -1.26 -5.16 105.19 105.13 1s4g n GLY 46 Ca -0.01 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 3.08 -0.02 1.61 1.47 -1.26 -4.97 116.67 116.58 1s4g s ASP 47 Ca 0.00 1.97 -0.25 0.00 1.18 0.00 0.00 52.55 55.46 1s4g s ASP 47 Cb 0.00 -2.49 -0.19 0.00 -0.34 0.00 0.00 42.92 39.90 1s4g s ASP 47 CO 0.00 -2.96 1.19 0.58 0.68 0.00 0.00 175.17 174.66 1s4g h VAL 48 N -1.77 1.17 -0.12 2.11 2.07 -2.03 -3.28 116.25 114.40 1s4g h VAL 48 Ca -0.46 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 1s4g h VAL 48 Cb 1.27 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1s4g h VAL 48 CO 0.46 0.25 -0.19 2.19 0.02 0.00 0.00 177.57 180.30 1s4g h PHE 49 N -0.60 0.21 -0.69 1.57 -5.15 -1.94 -3.32 116.94 107.01 1s4g h PHE 49 Ca -0.01 -0.03 -0.33 0.00 -0.20 0.00 0.00 57.97 57.40 1s4g h PHE 49 Cb 0.50 -0.06 -0.05 0.00 0.22 0.00 0.00 35.95 36.56 1s4g h PHE 49 CO 0.08 0.38 0.90 0.99 -2.00 0.00 0.00 178.31 178.66 1s4g s THR 50 N -4.60 3.52 0.00 0.88 2.01 -1.24 -4.52 115.64 111.69 1s4g s THR 50 Ca -0.05 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1s4g s THR 50 Cb 0.15 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.42 1s4g s THR 50 CO 0.73 -1.06 0.00 1.15 -0.69 0.00 0.00 174.62 174.75