#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4g s GLN 2 N 0.00 4.64 0.64 -0.67 -0.44 -0.07 -5.00 119.66 118.77 1s4g s GLN 2 Ca 0.00 1.57 -0.18 0.00 -2.50 0.00 0.00 55.36 54.25 1s4g s GLN 2 Cb 0.00 -3.34 -0.01 0.00 -1.64 0.00 0.00 33.01 28.02 1s4g s GLN 2 CO 0.00 0.13 1.24 -1.83 0.50 0.00 0.00 175.29 175.33 1s4g s GLU 3 N -0.04 2.64 -1.71 1.67 4.04 -1.26 -2.03 118.70 122.00 1s4g s GLU 3 Ca 0.49 1.90 0.00 0.00 0.04 0.00 0.00 54.97 57.40 1s4g s GLU 3 Cb -0.26 -1.88 0.00 0.00 0.02 0.00 0.00 34.13 32.02 1s4g s GLU 3 CO 0.32 -1.49 0.00 0.43 -1.84 0.00 0.00 175.26 172.68 1s4g n SER 4 N -1.95 -4.84 -3.88 0.83 7.64 -1.26 -3.57 113.62 106.59 1s4g n SER 4 Ca 0.14 0.40 -0.27 0.00 1.01 0.00 0.00 58.87 60.16 1s4g n SER 4 Cb 0.49 -4.16 0.01 0.00 -1.01 0.00 0.00 64.21 59.54 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 -4.46 0.44 -0.06 0.00 5.02 -1.23 -4.51 118.16 113.35 1s4g n LYS 6 Ca -0.14 0.40 -0.10 0.00 -2.02 0.00 0.00 58.31 56.46 1s4g n LYS 6 Cb 0.60 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 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 -0.92 -0.01 -5.69 0.72 0.00 -1.84 -3.46 103.07 91.86 1s4g h GLY 7 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1s4g h GLY 7 CO 0.00 -0.01 -0.46 0.50 0.00 0.00 0.00 176.54 176.57 1s4g s ARG 8 N -2.17 0.24 -0.24 4.80 0.52 -1.26 -4.99 118.95 115.85 1s4g s ARG 8 Ca -0.14 0.43 -0.26 0.00 -0.52 0.00 0.00 55.73 55.24 1s4g s ARG 8 Cb -0.02 0.01 0.10 0.00 0.52 0.00 0.00 34.95 35.56 1s4g s ARG 8 CO 0.49 -0.10 0.91 0.00 0.02 0.00 0.00 175.30 176.63 1s4g n THR 10 N 2.00 0.00 0.10 0.00 -2.24 -1.26 -4.21 114.28 108.68 1s4g n THR 10 Ca -0.13 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.69 1s4g n THR 10 Cb 0.56 -0.20 0.47 0.00 -2.10 0.00 0.00 70.33 69.06 1s4g n THR 10 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1s4g h GLU 11 N 0.00 0.31 0.00 -0.78 9.09 -1.97 -3.43 114.58 117.80 1s4g h GLU 11 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1s4g h GLU 11 Cb 0.32 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1s4g h GLU 11 CO 0.00 0.27 0.00 0.41 0.05 0.00 0.00 179.01 179.74 1s4g n GLY 12 N -1.31 4.00 3.40 1.06 0.00 -0.79 -0.80 105.19 110.75 1s4g n GLY 12 Ca 0.00 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 43.91 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 1.55 -0.90 0.54 1.61 5.36 -1.26 -4.76 117.98 120.12 1s4g s PHE 13 Ca 0.00 1.72 -0.21 0.00 -0.96 0.00 0.00 56.93 57.48 1s4g s PHE 13 Cb 0.00 0.45 -0.06 0.00 -0.34 0.00 0.00 43.02 43.07 1s4g s PHE 13 CO 0.00 -0.49 1.12 0.09 -1.46 0.00 0.00 175.22 174.47 1s4g n ASN 14 N 4.95 1.58 0.00 6.13 4.13 -1.26 -0.89 115.26 129.90 1s4g n ASN 14 Ca -0.15 0.92 0.00 0.00 1.68 0.00 0.00 54.58 57.04 1s4g n ASN 14 Cb 0.52 -1.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 1s4g n ASN 14 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1s4g n VAL 15 N -1.18 0.00 -0.04 2.41 0.31 -1.26 -4.44 118.33 114.14 1s4g n VAL 15 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.34 1s4g n VAL 15 Cb 0.44 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.30 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 0.00 -1.27 -2.83 4.52 3.58 -1.96 -3.41 116.42 115.05 1s4g h ASP 16 Ca 0.00 0.16 -0.59 0.00 0.42 0.00 0.00 57.03 57.01 1s4g h ASP 16 Cb 0.00 0.50 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 1s4g h ASP 16 CO 0.00 -0.33 -0.52 -0.54 -2.88 0.00 0.00 179.24 174.98 1s4g s LYS 17 N -4.91 3.27 -0.30 0.28 1.02 -0.07 -2.29 119.74 116.73 1s4g s LYS 17 Ca -0.11 -0.59 0.13 0.00 0.02 0.00 0.00 55.97 55.43 1s4g s LYS 17 Cb 0.05 -2.91 0.47 0.00 -0.52 0.00 0.00 37.83 34.93 1s4g s LYS 17 CO 0.44 0.56 1.13 1.63 -0.92 0.00 0.00 175.35 178.18 1s4g n LYS 18 N -0.02 2.70 -3.60 1.68 5.02 -1.26 -4.34 118.16 118.34 1s4g n LYS 18 Ca -0.07 -3.90 -0.14 0.00 -2.02 0.00 0.00 58.31 52.19 1s4g n LYS 18 Cb 0.52 -1.94 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s4g n GLN 20 N 1.98 0.00 -3.26 0.00 6.02 -1.26 -4.63 117.38 116.23 1s4g n GLN 20 Ca -0.14 0.08 0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1s4g n GLN 20 Cb 0.56 -0.79 -0.02 0.00 1.02 0.00 0.00 30.24 31.01 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s4g n ASP 22 N 5.38 0.00 0.00 0.00 8.00 0.46 -4.90 116.55 125.49 1s4g n ASP 22 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1s4g n ASP 22 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1s4g n ASP 22 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1s4g n GLU 23 N 0.00 0.00 -0.07 -1.24 2.13 -1.26 -0.94 120.64 119.26 1s4g n GLU 23 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1s4g n GLU 23 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 1s4g n GLU 23 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1s4g n LEU 24 N 0.00 0.00 -0.27 4.31 4.77 -1.26 -4.34 117.00 120.21 1s4g n LEU 24 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1s4g n LEU 24 Cb 0.00 0.35 0.15 0.00 -2.33 0.00 0.00 43.42 41.59 1s4g n LEU 24 CO 0.00 0.35 1.16 0.00 -1.33 0.00 0.00 177.39 177.57 1s4g n SER 26 N -4.35 0.00 -0.27 0.00 3.41 -0.12 -0.62 113.62 111.68 1s4g n SER 26 Ca 0.08 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.76 1s4g n SER 26 Cb 0.10 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.26 1s4g n SER 26 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1s4g h TYR 27 N 0.00 0.55 0.00 7.33 0.05 -1.89 -3.06 116.97 119.95 1s4g h TYR 27 Ca 0.00 0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1s4g h TYR 27 Cb 0.00 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1s4g h TYR 27 CO 0.00 0.06 -0.60 -0.92 -1.05 0.00 0.00 178.16 175.65 1s4g h TYR 28 N 0.46 0.00 -3.65 4.88 3.20 -1.17 -3.51 116.97 117.18 1s4g h TYR 28 Ca 0.44 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 62.14 1s4g h TYR 28 Cb 0.68 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 1s4g h TYR 28 CO -0.16 0.46 0.00 -1.14 -1.64 0.00 0.00 178.16 175.68 1s4g s GLN 29 N -2.17 2.03 -0.05 1.82 0.74 -0.73 -5.06 119.66 116.24 1s4g s GLN 29 Ca -0.17 -1.61 -0.07 0.00 0.05 0.00 0.00 55.36 53.57 1s4g s GLN 29 Cb 0.02 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.62 1s4g s GLN 29 CO 0.32 -0.89 0.34 0.66 -0.55 0.00 0.00 175.29 175.17 1s4g h SER 30 N 2.07 -0.21 -5.86 6.67 4.64 -1.83 -1.15 113.55 117.88 1s4g h SER 30 Ca -0.30 0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.67 1s4g h SER 30 Cb 1.24 0.05 0.12 0.00 -0.31 0.00 0.00 62.40 63.50 1s4g h SER 30 CO 0.39 0.13 -0.82 0.00 -0.87 0.00 0.00 176.83 175.66 1s4g n THR 33 N -1.13 -0.39 0.06 0.00 -1.04 0.02 -0.74 114.28 111.05 1s4g n THR 33 Ca -0.13 1.64 -0.11 0.00 -2.04 0.00 0.00 64.05 63.41 1s4g n THR 33 Cb 0.67 -2.14 -0.05 0.00 -1.82 0.00 0.00 70.33 67.00 1s4g n THR 33 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1s4g h ASP 34 N 0.00 -0.41 -2.07 8.00 3.58 -1.97 -3.38 116.42 120.17 1s4g h ASP 34 Ca 0.21 0.06 -0.53 0.00 0.42 0.00 0.00 57.03 57.19 1s4g h ASP 34 Cb 0.39 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.54 1s4g h ASP 34 CO -0.68 -0.20 1.16 -0.47 -2.88 0.00 0.00 179.24 176.17 1s4g s TYR 35 N -6.14 2.18 0.53 0.28 5.04 0.08 -4.99 117.35 114.33 1s4g s TYR 35 Ca -0.14 0.02 -0.21 0.00 -2.44 0.00 0.00 57.07 54.30 1s4g s TYR 35 Cb 0.08 -4.52 -0.06 0.00 0.35 0.00 0.00 41.96 37.82 1s4g s TYR 35 CO 0.66 -2.09 1.20 -0.08 -1.34 0.00 0.00 175.55 173.90 1s4g s THR 36 N 6.40 2.82 0.00 4.34 -1.32 -1.26 -4.23 115.64 122.39 1s4g s THR 36 Ca 0.43 0.56 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 1s4g s THR 36 Cb -0.08 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 1s4g s THR 36 CO 0.12 -0.06 0.00 0.00 -2.21 0.00 0.00 174.62 172.47 1s4g n ALA 37 N -1.07 -0.26 -2.13 11.08 0.00 -1.24 -4.62 120.51 122.26 1s4g n ALA 37 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1s4g n ALA 37 Cb 0.49 -0.26 -0.00 0.00 0.00 0.00 0.00 19.45 19.67 1s4g n ALA 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1s4g n GLU 38 N -0.44 2.98 0.00 0.00 0.28 -0.97 -4.56 120.64 117.92 1s4g n GLU 38 Ca 0.00 -2.91 0.00 0.00 -0.16 0.00 0.00 57.16 54.09 1s4g n GLU 38 Cb 0.00 -3.39 0.00 0.00 1.43 0.00 0.00 31.44 29.48 1s4g n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s4g n LYS 40 N 0.00 0.90 -1.32 0.00 5.02 -1.26 -4.83 118.16 116.67 1s4g n LYS 40 Ca 0.00 0.35 -0.38 0.00 -2.02 0.00 0.00 58.31 56.26 1s4g n LYS 40 Cb 0.00 -2.14 -0.02 0.00 -0.02 0.00 0.00 35.03 32.84 1s4g n LYS 40 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1s4g n PRO 41 N -0.92 3.19 0.04 1.97 -0.04 -1.26 -4.50 135.00 133.48 1s4g n PRO 41 Ca 0.13 -2.17 -0.05 0.00 -0.04 0.00 0.00 63.50 61.37 1s4g n PRO 41 Cb 0.47 -2.87 -0.03 0.00 -0.04 0.00 0.00 33.50 31.03 1s4g n PRO 41 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1s4g h GLN 42 N 5.55 -0.21 -5.70 0.54 4.15 -1.91 -3.35 115.11 114.17 1s4g h GLN 42 Ca 0.73 0.01 -0.65 0.00 0.77 0.00 0.00 58.65 59.52 1s4g h GLN 42 Cb 0.36 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.98 1s4g h GLN 42 CO 1.77 -0.01 1.57 0.08 -1.93 0.00 0.00 178.83 180.31 1s4g s VAL 43 N -2.48 4.24 -1.31 2.39 1.01 -1.26 -4.88 120.40 118.11 1s4g s VAL 43 Ca -0.06 -1.44 -0.08 0.00 0.00 0.00 0.00 61.98 60.40 1s4g s VAL 43 Cb 0.00 -5.03 0.14 0.00 0.00 0.00 0.00 36.38 31.49 1s4g s VAL 43 CO 0.20 -1.85 2.06 1.07 0.00 0.00 0.00 175.10 176.58 1s4g n THR 44 N 6.25 4.59 -0.31 3.92 5.66 -1.26 -4.77 114.28 128.36 1s4g n THR 44 Ca 0.36 -4.30 0.04 0.00 -3.05 0.00 0.00 64.05 57.11 1s4g n THR 44 Cb 0.48 -2.29 0.24 0.00 -1.55 0.00 0.00 70.33 67.21 1s4g n THR 44 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 1s4g h ARG 45 N 5.39 1.01 0.00 1.09 0.11 -1.90 -3.45 114.38 116.63 1s4g h ARG 45 Ca 0.50 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.52 1s4g h ARG 45 Cb 0.52 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1s4g h ARG 45 CO 1.60 0.67 0.00 0.41 0.10 0.00 0.00 179.97 182.74 1s4g n GLY 46 N -1.39 -1.70 0.26 0.08 0.00 -1.26 -4.85 105.19 96.32 1s4g n GLY 46 Ca 0.14 0.59 0.12 0.00 0.00 0.00 0.00 46.02 46.87 1s4g n GLY 46 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1s4g h ASP 47 N 0.00 0.00 0.00 1.61 2.03 -1.98 -3.47 116.42 114.61 1s4g h ASP 47 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1s4g h ASP 47 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1s4g h ASP 47 CO 0.00 0.13 0.00 0.52 -1.03 0.00 0.00 179.24 178.86 1s4g n VAL 48 N -3.64 0.00 -4.04 4.15 0.31 -1.26 -4.64 118.33 109.22 1s4g n VAL 48 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 1s4g n VAL 48 Cb 0.26 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.08 1s4g n VAL 48 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1s4g s PHE 49 N 0.00 0.42 -1.28 3.52 5.36 -1.26 -4.68 117.98 120.06 1s4g s PHE 49 Ca 0.00 -0.76 -0.17 0.00 -0.96 0.00 0.00 56.93 55.04 1s4g s PHE 49 Cb 0.00 -0.30 -0.00 0.00 -0.34 0.00 0.00 43.02 42.38 1s4g s PHE 49 CO 0.00 -0.25 2.09 0.25 -1.46 0.00 0.00 175.22 175.84 1s4g n THR 50 N 0.92 3.11 0.14 0.12 -2.24 -1.26 -5.10 114.28 109.97 1s4g n THR 50 Ca -0.19 -2.82 0.01 0.00 -2.27 0.00 0.00 64.05 58.78 1s4g n THR 50 Cb 0.58 -2.50 0.07 0.00 -2.10 0.00 0.00 70.33 66.37 1s4g n THR 50 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73