#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 0.31 -3.00 -0.67 1.13 -1.26 -3.48 117.38 110.40 1s4g n GLN 2 Ca 0.00 0.18 -0.39 0.00 -1.94 0.00 0.00 57.00 54.84 1s4g n GLN 2 Cb 0.00 -1.10 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 1s4g n GLN 2 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1s4g s GLU 3 N -2.06 4.53 -0.85 -1.09 0.41 -1.26 -3.57 118.70 114.81 1s4g s GLU 3 Ca -0.16 1.12 -0.04 0.00 -0.41 0.00 0.00 54.97 55.48 1s4g s GLU 3 Cb 0.02 -3.27 -0.01 0.00 -1.78 0.00 0.00 34.13 29.10 1s4g s GLU 3 CO 0.23 0.55 0.70 0.43 -0.49 0.00 0.00 175.26 176.69 1s4g n SER 4 N 1.71 -6.46 -3.83 -0.19 7.64 -1.26 -4.96 113.62 106.27 1s4g n SER 4 Ca -0.06 -0.53 -0.30 0.00 1.01 0.00 0.00 58.87 58.99 1s4g n SER 4 Cb 0.49 -3.93 0.24 0.00 -1.01 0.00 0.00 64.21 59.99 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 -4.67 2.29 0.00 0.00 5.02 -1.23 -4.68 118.16 114.89 1s4g n LYS 6 Ca 0.14 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 1s4g n LYS 6 Cb 0.59 -3.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.32 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 4.75 1.30 3.58 0.72 0.00 -1.26 -3.34 105.19 110.94 1s4g n GLY 7 Ca 0.50 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 3.63 1.08 1.61 6.06 -1.26 -4.96 118.95 125.10 1s4g s ARG 8 Ca 0.00 -1.72 -0.18 0.00 -2.50 0.00 0.00 55.73 51.33 1s4g s ARG 8 Cb 0.00 -5.45 0.25 0.00 0.06 0.00 0.00 34.95 29.81 1s4g s ARG 8 CO 0.00 -2.62 1.28 0.00 -2.50 0.00 0.00 175.30 171.46 1s4g n THR 10 N -4.20 0.99 -2.18 0.00 -2.24 -1.26 -4.78 114.28 100.61 1s4g n THR 10 Ca 0.16 -1.12 -0.04 0.00 -2.27 0.00 0.00 64.05 60.78 1s4g n THR 10 Cb 0.59 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.67 0.17 -2.37 -0.78 -0.00 -1.26 -4.73 120.64 111.00 1s4g n GLU 11 Ca 0.06 -1.27 -0.39 0.00 -0.00 0.00 0.00 57.16 55.55 1s4g n GLU 11 Cb 0.51 0.34 -0.03 0.00 -0.00 0.00 0.00 31.44 32.26 1s4g n GLU 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1s4g s GLY 12 N -1.27 0.71 0.20 -1.84 0.00 -1.26 -4.64 107.32 99.22 1s4g s GLY 12 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1s4g s GLY 12 CO -0.05 2.94 0.00 0.33 0.00 0.00 0.00 173.10 176.32 1s4g n PHE 13 N 10.61 -1.46 -0.22 1.90 7.35 -1.26 -2.29 117.46 132.08 1s4g n PHE 13 Ca 0.18 0.78 -0.07 0.00 -0.76 0.00 0.00 57.45 57.57 1s4g n PHE 13 Cb 0.50 -1.33 -0.03 0.00 0.35 0.00 0.00 39.48 38.98 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 -0.54 -1.45 -3.33 -2.13 -0.73 -2.01 -3.28 115.58 102.10 1s4g h ASN 14 Ca -0.05 0.25 -0.57 0.00 1.87 0.00 0.00 56.30 57.80 1s4g h ASN 14 Cb 0.52 0.68 -0.08 0.00 0.27 0.00 0.00 38.32 39.71 1s4g h ASN 14 CO 0.02 -0.32 -0.11 0.54 -0.37 0.00 0.00 177.43 177.18 1s4g s VAL 15 N -5.86 5.17 0.45 2.57 0.11 -1.26 -4.99 120.40 116.58 1s4g s VAL 15 Ca -0.14 1.01 -0.24 0.00 -2.93 0.00 0.00 61.98 59.68 1s4g s VAL 15 Cb 0.14 -3.84 -0.08 0.00 -1.53 0.00 0.00 36.38 31.07 1s4g s VAL 15 CO 0.67 0.32 1.26 -0.62 -3.33 0.00 0.00 175.10 173.40 1s4g s ASP 16 N 0.63 6.08 -1.29 3.54 2.15 -1.24 -4.65 116.67 121.88 1s4g s ASP 16 Ca 0.27 2.55 -0.16 0.00 0.43 0.00 0.00 52.55 55.64 1s4g s ASP 16 Cb -0.15 -2.63 -0.00 0.00 -0.30 0.00 0.00 42.92 39.84 1s4g s ASP 16 CO 0.11 -1.00 2.13 0.29 -0.17 0.00 0.00 175.17 176.53 1s4g n LYS 17 N -0.28 2.56 -1.75 4.34 5.02 -0.97 -4.81 118.16 122.26 1s4g n LYS 17 Ca 0.06 -2.48 -0.42 0.00 -2.02 0.00 0.00 58.31 53.45 1s4g n LYS 17 Cb 0.45 -3.23 -0.00 0.00 -0.02 0.00 0.00 35.03 32.23 1s4g n LYS 17 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s4g n LYS 18 N 6.48 2.91 -3.55 1.97 5.02 -1.26 -4.09 118.16 125.65 1s4g n LYS 18 Ca 0.51 -2.64 -0.23 0.00 -2.02 0.00 0.00 58.31 53.94 1s4g n LYS 18 Cb 0.40 -3.26 0.05 0.00 -0.02 0.00 0.00 35.03 32.20 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 -3.93 4.22 -4.03 0.00 6.02 -1.26 -4.48 117.38 113.93 1s4g n GLN 20 Ca -0.16 -3.47 -0.35 0.00 -0.01 0.00 0.00 57.00 53.01 1s4g n GLN 20 Cb 0.63 -2.74 -0.01 0.00 1.02 0.00 0.00 30.24 29.13 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s4g s ASP 22 N -3.92 6.66 0.19 0.00 -1.08 -1.26 -4.92 116.67 112.34 1s4g s ASP 22 Ca 0.26 1.67 -0.11 0.00 -0.52 0.00 0.00 52.55 53.85 1s4g s ASP 22 Cb -0.12 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.91 1s4g s ASP 22 CO 0.94 -1.01 1.80 1.05 0.52 0.00 0.00 175.17 178.47 1s4g h GLU 23 N 9.45 0.91 -0.57 4.34 9.09 -1.96 -2.63 114.58 133.22 1s4g h GLU 23 Ca -0.31 -0.11 -0.11 0.00 0.05 0.00 0.00 59.36 58.89 1s4g h GLU 23 Cb 1.13 -0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 28.03 1s4g h GLU 23 CO 0.99 0.69 -0.06 -0.07 0.05 0.00 0.00 179.01 180.61 1s4g h LEU 24 N 0.89 1.04 -0.90 3.06 3.38 -1.95 -1.31 115.31 119.52 1s4g h LEU 24 Ca 0.23 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1s4g h LEU 24 Cb 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1s4g h LEU 24 CO -0.04 1.12 0.53 0.00 0.09 0.00 0.00 178.44 180.14 1s4g h SER 26 N 1.25 1.05 -0.39 0.00 0.02 -1.06 -1.58 113.55 112.84 1s4g h SER 26 Ca 0.32 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1s4g h SER 26 Cb -0.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 1s4g h SER 26 CO -0.06 0.99 -0.35 1.88 -1.14 0.00 0.00 176.83 178.15 1s4g h TYR 27 N 1.06 1.11 -0.06 3.45 0.05 -0.87 -3.12 116.97 118.59 1s4g h TYR 27 Ca 0.23 -0.32 0.04 0.00 0.05 0.00 0.00 58.73 58.73 1s4g h TYR 27 Cb 0.33 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 1s4g h TYR 27 CO 0.03 1.15 -0.29 -0.92 -1.05 0.00 0.00 178.16 177.07 1s4g h TYR 28 N 0.77 -0.79 0.00 4.88 3.20 -0.67 -3.46 116.97 120.91 1s4g h TYR 28 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1s4g h TYR 28 Cb 0.94 0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1s4g h TYR 28 CO 0.06 -0.38 0.00 0.00 -1.64 0.00 0.00 178.16 176.20 1s4g n GLN 29 N -5.39 0.00 -3.70 1.82 -0.00 -0.66 -5.10 117.38 104.36 1s4g n GLN 29 Ca -0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.00 56.82 1s4g n GLN 29 Cb 0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 30.24 30.47 1s4g n GLN 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1s4g s SER 30 N -2.00 -0.32 0.00 2.61 0.01 -0.83 -4.65 113.70 108.51 1s4g s SER 30 Ca 0.00 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1s4g s SER 30 Cb 0.00 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1s4g s SER 30 CO 0.00 -0.47 0.00 0.00 0.41 0.00 0.00 173.24 173.18 1s4g h THR 33 N 0.00 1.29 0.20 0.00 1.35 -1.91 -3.13 112.91 110.71 1s4g h THR 33 Ca 0.00 -1.49 -0.01 0.00 -0.55 0.00 0.00 66.41 64.36 1s4g h THR 33 Cb 0.00 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1s4g h THR 33 CO 0.00 0.48 -0.10 -0.78 -0.25 0.00 0.00 175.52 174.87 1s4g h ASP 34 N 0.54 -0.23 -5.07 5.36 3.58 -1.85 -3.49 116.42 115.27 1s4g h ASP 34 Ca 0.06 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.57 1s4g h ASP 34 Cb 0.85 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 1s4g h ASP 34 CO 0.07 -0.09 0.30 -0.72 -2.88 0.00 0.00 179.24 175.92 1s4g s TYR 35 N -2.84 -0.06 0.06 0.28 1.13 -1.18 -4.88 117.35 109.86 1s4g s TYR 35 Ca -0.04 -0.45 -0.30 0.00 -1.41 0.00 0.00 57.07 54.86 1s4g s TYR 35 Cb 0.00 0.75 -0.08 0.00 -1.10 0.00 0.00 41.96 41.53 1s4g s TYR 35 CO 0.12 -1.28 1.72 -0.08 -2.51 0.00 0.00 175.55 173.52 1s4g s THR 36 N -3.17 3.02 0.00 -3.49 -1.32 -1.26 -1.99 115.64 107.43 1s4g s THR 36 Ca 0.13 0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 1s4g s THR 36 Cb -0.05 -3.24 0.00 0.00 -1.51 0.00 0.00 72.50 67.70 1s4g s THR 36 CO 0.08 -0.01 0.00 0.00 -2.21 0.00 0.00 174.62 172.48 1s4g n ALA 37 N 6.07 0.00 -2.71 11.08 0.00 -0.29 -4.82 120.51 129.85 1s4g n ALA 37 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.55 1s4g n ALA 37 Cb 0.40 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.91 1s4g n ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s4g n GLU 38 N 0.00 1.31 -3.72 0.00 1.02 -1.26 -4.71 120.64 113.29 1s4g n GLU 38 Ca 0.00 -2.94 -0.23 0.00 -0.02 0.00 0.00 57.16 53.97 1s4g n GLU 38 Cb 0.00 -1.02 0.04 0.00 -0.02 0.00 0.00 31.44 30.44 1s4g n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s4g s LYS 40 N -6.11 0.59 -0.84 0.00 -2.85 -1.24 -5.02 119.74 104.27 1s4g s LYS 40 Ca 0.23 -0.28 -0.25 0.00 -1.00 0.00 0.00 55.97 54.67 1s4g s LYS 40 Cb -0.11 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1s4g s LYS 40 CO 0.80 -0.27 1.88 -1.25 0.10 0.00 0.00 175.35 176.62 1s4g s PRO 41 N -2.72 2.65 0.00 1.78 0.04 -1.26 -4.64 135.00 130.85 1s4g s PRO 41 Ca 0.10 -0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.00 1s4g s PRO 41 Cb 0.01 -4.90 -0.01 0.00 0.04 0.00 0.00 34.50 29.64 1s4g s PRO 41 CO -0.04 -3.12 0.77 0.37 0.04 0.00 0.00 177.00 175.02 1s4g h GLN 42 N 12.07 -0.06 -6.26 4.56 4.15 -1.89 -3.34 115.11 124.33 1s4g h GLN 42 Ca 0.01 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.87 1s4g h GLN 42 Cb 1.04 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.66 1s4g h GLN 42 CO 1.23 -0.04 1.22 0.08 -1.93 0.00 0.00 178.83 179.39 1s4g s VAL 43 N -2.64 3.79 -1.16 2.39 1.01 -1.26 -4.92 120.40 117.61 1s4g s VAL 43 Ca -0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1s4g s VAL 43 Cb 0.00 -4.96 -0.01 0.00 0.00 0.00 0.00 36.38 31.41 1s4g s VAL 43 CO 0.03 -1.88 1.80 -0.89 0.00 0.00 0.00 175.10 174.16 1s4g s THR 44 N 5.49 3.78 -0.16 3.92 2.01 -1.26 -4.84 115.64 124.58 1s4g s THR 44 Ca 0.39 -1.16 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 1s4g s THR 44 Cb -0.05 -4.77 0.04 0.00 0.01 0.00 0.00 72.50 67.73 1s4g s THR 44 CO 0.06 -1.47 0.43 -0.60 -0.69 0.00 0.00 174.62 172.35 1s4g s ARG 45 N 5.58 0.50 -0.94 4.92 3.52 -1.26 -5.11 118.95 126.17 1s4g s ARG 45 Ca 0.61 0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 56.81 1s4g s ARG 45 Cb 0.00 0.24 0.31 0.00 -1.56 0.00 0.00 34.95 33.94 1s4g s ARG 45 CO 0.06 -0.06 1.47 0.41 -0.81 0.00 0.00 175.30 176.37 1s4g n GLY 46 N 2.89 5.62 3.55 8.12 0.00 -1.26 -4.22 105.19 119.88 1s4g n GLY 46 Ca -0.14 -2.66 -0.08 0.00 0.00 0.00 0.00 46.02 43.14 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 -1.94 -0.37 0.00 1.61 1.47 -1.26 -5.00 116.67 111.18 1s4g s ASP 47 Ca 0.38 -0.10 0.00 0.00 1.18 0.00 0.00 52.55 54.01 1s4g s ASP 47 Cb 0.15 0.46 0.00 0.00 -0.34 0.00 0.00 42.92 43.20 1s4g s ASP 47 CO -0.04 -0.77 0.00 0.52 0.68 0.00 0.00 175.17 175.55 1s4g n VAL 48 N -0.32 0.00 -2.62 2.11 0.31 -1.26 -4.69 118.33 111.85 1s4g n VAL 48 Ca -0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 1s4g n VAL 48 Cb 0.62 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.65 1s4g n VAL 48 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1s4g s PHE 49 N 0.00 1.69 0.02 3.52 -0.12 -1.26 -5.06 117.98 116.78 1s4g s PHE 49 Ca 0.00 -0.28 -0.15 0.00 -0.05 0.00 0.00 56.93 56.45 1s4g s PHE 49 Cb 0.00 -2.91 -0.08 0.00 -0.63 0.00 0.00 43.02 39.40 1s4g s PHE 49 CO 0.00 -1.59 1.22 1.79 -0.05 0.00 0.00 175.22 176.59 1s4g h THR 50 N -0.42 0.00 0.00 -4.49 1.35 -1.84 -3.46 112.91 104.05 1s4g h THR 50 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1s4g h THR 50 Cb 1.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1s4g h THR 50 CO 0.41 0.00 0.00 0.80 -0.25 0.00 0.00 175.52 176.48