#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 0.85 0.00 -1.24 7.27 -1.24 -4.27 117.38 118.75 1s4g n GLN 2 Ca 0.00 -2.36 0.00 0.00 0.07 0.00 0.00 57.00 54.71 1s4g n GLN 2 Cb 0.00 -0.51 0.00 0.00 2.41 0.00 0.00 30.24 32.14 1s4g n GLN 2 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1s4g n GLU 3 N -0.26 0.00 -2.13 3.69 -0.00 -1.26 -4.81 120.64 115.87 1s4g n GLU 3 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.74 1s4g n GLU 3 Cb 0.92 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 32.34 1s4g n GLU 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1s4g s SER 4 N -0.65 6.79 -1.44 -1.84 0.01 -1.26 -4.76 113.70 110.55 1s4g s SER 4 Ca 0.00 2.53 -0.13 0.00 1.31 0.00 0.00 55.95 59.66 1s4g s SER 4 Cb 0.00 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.67 1s4g s SER 4 CO 0.00 -0.59 2.20 0.00 0.41 0.00 0.00 173.24 175.26 1s4g h LYS 6 N 5.94 0.42 0.00 0.00 3.64 -1.91 -3.46 116.57 121.20 1s4g h LYS 6 Ca 0.55 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1s4g h LYS 6 Cb 0.63 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1s4g h LYS 6 CO 1.85 0.30 0.00 0.41 -2.27 0.00 0.00 179.45 179.74 1s4g n GLY 7 N -1.12 -0.10 3.65 5.01 0.00 -1.26 -5.01 105.19 106.36 1s4g n GLY 7 Ca -0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1s4g n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s4g s ARG 8 N -1.43 3.21 0.20 1.61 3.52 -1.26 -4.91 118.95 119.88 1s4g s ARG 8 Ca 0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1s4g s ARG 8 Cb 0.00 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1s4g s ARG 8 CO 0.00 0.59 0.00 0.00 -0.81 0.00 0.00 175.30 175.08 1s4g n THR 10 N -2.89 0.00 -0.26 0.00 -2.24 -1.26 -4.51 114.28 103.12 1s4g n THR 10 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1s4g n THR 10 Cb 0.00 -0.14 0.33 0.00 -2.10 0.00 0.00 70.33 68.43 1s4g n THR 10 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1s4g n GLU 11 N -2.59 -0.05 0.00 -0.78 -0.00 -1.26 -3.62 120.64 112.34 1s4g n GLU 11 Ca 0.00 1.12 0.00 0.00 -0.00 0.00 0.00 57.16 58.28 1s4g n GLU 11 Cb 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 31.44 29.56 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 -1.30 0.00 0.96 -1.84 0.00 -1.26 -5.09 105.19 96.65 1s4g n GLY 12 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.42 -2.41 -0.29 1.61 7.35 -1.24 -3.31 117.46 117.76 1s4g n PHE 13 Ca 0.00 1.21 0.11 0.00 -0.76 0.00 0.00 57.45 58.01 1s4g n PHE 13 Cb 0.11 -2.19 0.26 0.00 0.35 0.00 0.00 39.48 38.02 1s4g n PHE 13 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1s4g h ASN 14 N -0.89 0.06 -0.17 -2.13 -1.24 -1.94 0.11 115.58 109.38 1s4g h ASN 14 Ca 0.01 0.18 0.04 0.00 0.71 0.00 0.00 56.30 57.24 1s4g h ASN 14 Cb 0.88 0.22 -0.04 0.00 0.73 0.00 0.00 38.32 40.12 1s4g h ASN 14 CO 0.01 -0.10 -0.06 1.62 -1.29 0.00 0.00 177.43 177.61 1s4g h VAL 15 N 0.26 0.78 0.00 2.57 3.04 -1.92 -3.25 116.25 117.73 1s4g h VAL 15 Ca 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.21 1s4g h VAL 15 Cb 1.00 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1s4g h VAL 15 CO -0.60 0.00 -0.13 -0.78 -1.01 0.00 0.00 177.57 175.06 1s4g h ASP 16 N -0.04 0.00 -2.12 3.17 3.58 -1.46 -3.42 116.42 116.13 1s4g h ASP 16 Ca 0.09 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.96 1s4g h ASP 16 Cb 0.17 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.12 1s4g h ASP 16 CO -0.19 0.48 1.07 -0.54 -2.88 0.00 0.00 179.24 177.18 1s4g s LYS 17 N -1.63 3.29 -0.15 0.28 -0.14 0.34 -4.80 119.74 116.93 1s4g s LYS 17 Ca -0.04 -0.60 -0.10 0.00 -1.36 0.00 0.00 55.97 53.87 1s4g s LYS 17 Cb 0.01 -4.49 -0.24 0.00 -1.68 0.00 0.00 37.83 31.42 1s4g s LYS 17 CO 0.06 -2.10 0.29 1.63 -0.76 0.00 0.00 175.35 174.47 1s4g n LYS 18 N 8.88 0.71 -3.12 1.68 5.02 -1.23 -3.95 118.16 126.16 1s4g n LYS 18 Ca 0.10 0.33 0.04 0.00 -2.02 0.00 0.00 58.31 56.76 1s4g n LYS 18 Cb 0.49 -1.71 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s4g h GLN 20 N 7.33 -0.56 0.00 0.00 4.20 -1.91 -3.41 115.11 120.76 1s4g h GLN 20 Ca -0.05 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1s4g h GLN 20 Cb 1.19 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1s4g h GLN 20 CO -0.00 -0.35 0.00 0.00 -0.67 0.00 0.00 178.83 177.81 1s4g s ASP 22 N 1.51 6.97 0.22 0.00 2.15 -1.26 -4.55 116.67 121.71 1s4g s ASP 22 Ca 0.00 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1s4g s ASP 22 Cb 0.00 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1s4g s ASP 22 CO 0.00 -0.17 0.00 1.21 -0.17 0.00 0.00 175.17 176.04 1s4g n GLU 23 N 4.09 0.00 0.01 4.34 2.13 -1.26 -4.69 120.64 125.26 1s4g n GLU 23 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1s4g n GLU 23 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 1s4g n GLU 23 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1s4g n LEU 24 N -2.97 -0.24 0.07 4.31 7.94 -1.26 -4.48 117.00 120.38 1s4g n LEU 24 Ca 0.00 0.09 0.12 0.00 -1.11 0.00 0.00 56.01 55.11 1s4g n LEU 24 Cb 0.00 0.45 0.60 0.00 0.53 0.00 0.00 43.42 45.01 1s4g n LEU 24 CO 0.00 -0.18 1.14 0.00 -1.11 0.00 0.00 177.39 177.24 1s4g h SER 26 N 0.15 0.48 0.58 0.00 4.64 -1.73 -0.03 113.55 117.64 1s4g h SER 26 Ca 0.16 0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 61.58 1s4g h SER 26 Cb 0.43 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1s4g h SER 26 CO -0.02 -0.16 -0.43 1.88 -0.87 0.00 0.00 176.83 177.23 1s4g h TYR 27 N 0.29 0.00 0.18 4.77 -1.99 -1.71 -2.87 116.97 115.64 1s4g h TYR 27 Ca 0.74 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.46 1s4g h TYR 27 Cb 1.71 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.44 1s4g h TYR 27 CO -0.02 0.43 -0.09 1.88 -0.00 0.00 0.00 178.16 180.36 1s4g h TYR 28 N 0.00 -0.22 -2.55 4.88 -1.99 -1.19 -3.47 116.97 112.43 1s4g h TYR 28 Ca -0.00 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.62 1s4g h TYR 28 Cb 0.83 0.07 -0.22 0.00 2.00 0.00 0.00 36.73 39.42 1s4g h TYR 28 CO 0.00 0.15 -0.11 1.14 -0.00 0.00 0.00 178.16 179.34 1s4g s GLN 29 N -3.12 0.66 0.30 4.88 0.00 -0.63 -5.09 119.66 116.67 1s4g s GLN 29 Ca -0.11 0.49 0.04 0.00 -0.00 0.00 0.00 55.36 55.78 1s4g s GLN 29 Cb 0.00 0.31 0.80 0.00 0.00 0.00 0.00 33.01 34.12 1s4g s GLN 29 CO 0.39 -0.12 1.62 0.77 0.00 0.00 0.00 175.29 177.95 1s4g h SER 30 N 4.80 -0.08 -6.99 12.60 0.02 -1.76 -3.21 113.55 118.93 1s4g h SER 30 Ca -0.28 0.23 -0.60 0.00 -0.84 0.00 0.00 61.79 60.30 1s4g h SER 30 Cb 1.17 0.32 -0.24 0.00 0.14 0.00 0.00 62.40 63.79 1s4g h SER 30 CO 0.25 -0.24 -0.92 0.00 -1.14 0.00 0.00 176.83 174.78 1s4g h THR 33 N 0.00 1.48 -0.24 0.00 1.35 -1.95 -3.32 112.91 110.23 1s4g h THR 33 Ca 0.00 -1.78 0.06 0.00 -0.55 0.00 0.00 66.41 64.14 1s4g h THR 33 Cb 0.00 2.64 -0.07 0.00 -1.73 0.00 0.00 68.15 69.00 1s4g h THR 33 CO 0.00 0.44 -0.19 -2.24 -0.25 0.00 0.00 175.52 173.28 1s4g h ASP 34 N -0.83 -0.63 -5.21 5.36 2.03 -1.93 -3.47 116.42 111.75 1s4g h ASP 34 Ca -0.00 0.12 0.12 0.00 -0.73 0.00 0.00 57.03 56.54 1s4g h ASP 34 Cb 0.74 0.31 -0.06 0.00 -0.83 0.00 0.00 39.33 39.50 1s4g h ASP 34 CO 0.00 -0.23 0.40 -0.72 -1.03 0.00 0.00 179.24 177.66 1s4g s TYR 35 N -6.12 -0.09 -0.11 4.15 -0.85 -1.25 -5.06 117.35 108.02 1s4g s TYR 35 Ca -0.14 -0.31 -0.05 0.00 -0.52 0.00 0.00 57.07 56.04 1s4g s TYR 35 Cb 0.12 0.69 0.05 0.00 0.38 0.00 0.00 41.96 43.20 1s4g s TYR 35 CO 0.68 -1.04 0.25 0.99 -1.52 0.00 0.00 175.55 174.91 1s4g s THR 36 N -3.21 -0.18 0.21 -3.49 2.01 -1.26 -0.60 115.64 109.13 1s4g s THR 36 Ca 0.14 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1s4g s THR 36 Cb -0.03 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1s4g s THR 36 CO 0.05 0.08 0.00 0.00 -0.69 0.00 0.00 174.62 174.06 1s4g n ALA 37 N 4.66 0.00 -3.00 7.40 0.00 -1.26 -5.08 120.51 123.22 1s4g n ALA 37 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1s4g n ALA 37 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.08 0.00 0.00 0.00 0.28 -1.26 -4.88 120.64 111.70 1s4g n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1s4g n GLU 38 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1s4g n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s4g s LYS 40 N -1.67 3.01 0.00 0.00 0.00 -1.26 -4.79 119.74 115.03 1s4g s LYS 40 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 55.97 57.83 1s4g s LYS 40 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 37.83 35.86 1s4g s LYS 40 CO 0.00 -1.18 0.00 -0.35 0.00 0.00 0.00 175.35 173.82 1s4g n PRO 41 N -1.50 0.00 0.00 1.78 -0.04 -1.26 -4.94 135.00 129.04 1s4g n PRO 41 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1s4g n PRO 41 Cb 0.49 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1s4g n PRO 41 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1s4g n GLN 42 N 0.00 0.00 -2.81 0.54 7.27 -1.26 -4.98 117.38 116.14 1s4g n GLN 42 Ca 0.00 0.10 -0.33 0.00 0.07 0.00 0.00 57.00 56.84 1s4g n GLN 42 Cb 0.00 -0.52 -0.07 0.00 2.41 0.00 0.00 30.24 32.07 1s4g n GLN 42 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1s4g s VAL 43 N -0.77 4.38 0.18 1.69 -7.23 -1.26 -5.04 120.40 112.36 1s4g s VAL 43 Ca 0.00 1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 61.36 1s4g s VAL 43 Cb 0.00 -3.60 -0.08 0.00 0.56 0.00 0.00 36.38 33.26 1s4g s VAL 43 CO 0.00 -0.32 0.92 0.28 -0.31 0.00 0.00 175.10 175.67 1s4g s THR 44 N -2.18 4.27 0.42 5.32 -1.32 -1.26 -4.88 115.64 116.01 1s4g s THR 44 Ca 0.62 2.02 -0.21 0.00 -1.21 0.00 0.00 61.69 62.91 1s4g s THR 44 Cb -0.09 -4.30 -0.11 0.00 -1.51 0.00 0.00 72.50 66.49 1s4g s THR 44 CO 0.13 0.44 0.94 -0.60 -2.21 0.00 0.00 174.62 173.32 1s4g s ARG 45 N -0.74 4.25 -1.48 7.08 3.52 -1.26 -4.98 118.95 125.34 1s4g s ARG 45 Ca 0.42 1.11 -0.13 0.00 -0.13 0.00 0.00 55.73 57.00 1s4g s ARG 45 Cb -0.25 -2.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1s4g s ARG 45 CO 0.30 0.01 2.35 0.41 -0.81 0.00 0.00 175.30 177.55 1s4g n GLY 46 N -0.53 4.38 3.78 8.12 0.00 -1.26 -4.72 105.19 114.96 1s4g n GLY 46 Ca 0.06 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 1s4g n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4g s ASP 47 N 3.05 5.79 0.17 1.61 -1.08 -1.26 -4.95 116.67 120.00 1s4g s ASP 47 Ca 0.51 2.11 -0.14 0.00 -0.52 0.00 0.00 52.55 54.51 1s4g s ASP 47 Cb 0.15 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 39.15 1s4g s ASP 47 CO -0.08 -1.17 1.77 0.58 0.52 0.00 0.00 175.17 176.79 1s4g h VAL 48 N 1.16 0.91 -0.65 1.11 2.07 -1.97 -2.95 116.25 115.95 1s4g h VAL 48 Ca -0.50 -0.13 -0.42 0.00 0.82 0.00 0.00 66.70 66.47 1s4g h VAL 48 Cb 1.25 0.49 -0.17 0.00 -1.52 0.00 0.00 31.29 31.34 1s4g h VAL 48 CO 0.57 0.07 0.52 0.49 0.02 0.00 0.00 177.57 179.24 1s4g n PHE 49 N -4.95 1.92 -3.80 1.57 3.72 -1.26 -4.87 117.46 109.79 1s4g n PHE 49 Ca 0.03 -2.20 -0.31 0.00 -0.05 0.00 0.00 57.45 54.92 1s4g n PHE 49 Cb 0.14 -1.10 0.02 0.00 -0.94 0.00 0.00 39.48 37.60 1s4g n PHE 49 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1s4g n THR 50 N 0.11 -4.26 -1.90 4.37 -2.24 -1.11 -4.98 114.28 104.26 1s4g n THR 50 Ca 0.39 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1s4g n THR 50 Cb 0.59 -3.37 0.00 0.00 -2.10 0.00 0.00 70.33 65.45 1s4g n THR 50 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65