#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 0.69 -1.88 -0.67 1.13 -1.26 -1.89 117.38 113.51 1s4g n GLN 2 Ca 0.00 0.30 -0.29 0.00 -1.94 0.00 0.00 57.00 55.07 1s4g n GLN 2 Cb 0.00 -1.67 0.11 0.00 0.11 0.00 0.00 30.24 28.79 1s4g n GLN 2 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1s4g s GLU 3 N -2.51 1.63 -1.72 -1.09 1.03 -1.26 -1.76 118.70 113.01 1s4g s GLU 3 Ca -0.27 0.02 -0.16 0.00 0.03 0.00 0.00 54.97 54.60 1s4g s GLU 3 Cb 0.07 -1.92 0.15 0.00 -0.80 0.00 0.00 34.13 31.63 1s4g s GLU 3 CO 0.69 -1.81 0.53 0.43 -1.33 0.00 0.00 175.26 173.77 1s4g n SER 4 N -3.45 -1.62 -3.77 0.83 7.64 -1.26 -1.47 113.62 110.52 1s4g n SER 4 Ca 0.09 -1.16 -0.06 0.00 1.01 0.00 0.00 58.87 58.76 1s4g n SER 4 Cb 0.61 -2.09 0.00 0.00 -1.01 0.00 0.00 64.21 61.71 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g h LYS 6 N 2.46 -0.18 0.00 0.00 1.79 -1.49 -3.46 116.57 115.69 1s4g h LYS 6 Ca -0.08 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1s4g h LYS 6 Cb 0.16 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1s4g h LYS 6 CO 0.06 -0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.72 1s4g n GLY 7 N 1.05 -0.04 2.74 3.86 0.00 -1.19 -0.92 105.19 110.69 1s4g n GLY 7 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1s4g n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4g n ARG 8 N -2.21 3.70 -1.55 1.61 1.74 -0.79 -4.73 116.66 114.44 1s4g n ARG 8 Ca 0.00 -3.32 -0.26 0.00 -0.77 0.00 0.00 57.85 53.50 1s4g n ARG 8 Cb 0.00 -2.91 -0.07 0.00 -1.02 0.00 0.00 32.46 28.46 1s4g n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4g h THR 10 N 7.68 1.34 -4.06 0.00 2.02 -1.70 -3.47 112.91 114.73 1s4g h THR 10 Ca -0.11 -2.40 -0.12 0.00 0.77 0.00 0.00 66.41 64.55 1s4g h THR 10 Cb 1.15 2.96 0.02 0.00 -1.74 0.00 0.00 68.15 70.54 1s4g h THR 10 CO 1.14 0.63 0.02 -1.84 0.37 0.00 0.00 175.52 175.84 1s4g n GLU 11 N -4.22 0.57 -3.08 6.66 -0.00 -1.26 -5.09 120.64 114.22 1s4g n GLU 11 Ca -0.19 -0.70 -0.20 0.00 -0.00 0.00 0.00 57.16 56.07 1s4g n GLU 11 Cb 0.75 -0.13 -0.04 0.00 -0.00 0.00 0.00 31.44 32.02 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 3.14 2.30 0.38 -1.84 0.00 -1.26 -4.58 105.19 103.32 1s4g n GLY 12 Ca 0.04 -1.18 0.15 0.00 0.00 0.00 0.00 46.02 45.03 1s4g n GLY 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1s4g h PHE 13 N 3.84 0.84 -1.04 1.61 -0.00 -1.98 -3.41 116.94 116.81 1s4g h PHE 13 Ca 0.02 0.03 0.16 0.00 -0.00 0.00 0.00 57.97 58.18 1s4g h PHE 13 Cb 0.93 -0.26 -0.23 0.00 -0.00 0.00 0.00 35.95 36.40 1s4g h PHE 13 CO 0.31 0.21 0.10 1.21 -0.00 0.00 0.00 178.31 180.14 1s4g s ASN 14 N -5.53 -0.73 0.09 -0.68 2.47 -1.26 -5.06 114.94 104.24 1s4g s ASN 14 Ca -0.10 0.84 -0.08 0.00 0.42 0.00 0.00 52.86 53.94 1s4g s ASN 14 Cb 0.24 1.76 -0.20 0.00 -1.45 0.00 0.00 41.25 41.61 1s4g s ASN 14 CO 0.79 -0.14 1.21 1.62 -3.72 0.00 0.00 177.10 176.86 1s4g h VAL 15 N 5.60 1.38 -0.17 -5.21 3.04 -2.00 -3.36 116.25 115.54 1s4g h VAL 15 Ca -0.16 -2.57 -0.71 0.00 -1.01 0.00 0.00 66.70 62.25 1s4g h VAL 15 Cb 1.13 2.60 -0.05 0.00 -2.01 0.00 0.00 31.29 32.97 1s4g h VAL 15 CO 0.07 0.77 3.09 -0.67 -1.01 0.00 0.00 177.57 179.82 1s4g n ASP 16 N -3.72 4.60 -4.72 3.17 -0.08 -1.26 -4.96 116.55 109.58 1s4g n ASP 16 Ca -0.09 -2.85 -0.42 0.00 -1.51 0.00 0.00 54.79 49.92 1s4g n ASP 16 Cb 0.92 -1.62 -0.03 0.00 2.34 0.00 0.00 41.12 42.73 1s4g n ASP 16 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1s4g s LYS 17 N 2.71 4.17 -0.06 -0.67 1.02 -1.26 -4.91 119.74 120.75 1s4g s LYS 17 Ca 0.49 2.47 -0.23 0.00 0.02 0.00 0.00 55.97 58.73 1s4g s LYS 17 Cb 0.14 -3.11 -0.31 0.00 -0.52 0.00 0.00 37.83 34.03 1s4g s LYS 17 CO -0.08 -0.67 0.88 0.87 -0.92 0.00 0.00 175.35 175.44 1s4g h LYS 18 N 6.70 0.27 -1.74 1.68 1.79 -1.92 -3.31 116.57 120.04 1s4g h LYS 18 Ca -0.43 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 57.58 1s4g h LYS 18 Cb 1.20 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1s4g h LYS 18 CO 0.93 1.22 -0.44 0.00 -1.08 0.00 0.00 179.45 180.07 1s4g n GLN 20 N -1.63 0.00 -2.96 0.00 1.13 -1.26 -2.70 117.38 109.97 1s4g n GLN 20 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1s4g n GLN 20 Cb 0.14 -0.46 0.00 0.00 0.11 0.00 0.00 30.24 30.03 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s4g n ASP 22 N 3.65 0.00 0.02 0.00 8.00 -1.26 -4.99 116.55 121.97 1s4g n ASP 22 Ca 0.13 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.61 1s4g n ASP 22 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 1s4g n ASP 22 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s4g n GLU 23 N 0.00 0.08 0.02 -1.24 1.02 -0.66 -4.49 120.64 115.37 1s4g n GLU 23 Ca 0.00 0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 1s4g n GLU 23 Cb 0.00 -0.64 -0.08 0.00 -0.02 0.00 0.00 31.44 30.70 1s4g n GLU 23 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s4g h LEU 24 N -0.15 -1.49 -0.34 -4.62 6.46 -1.32 0.40 115.31 114.25 1s4g h LEU 24 Ca -0.03 0.18 -0.10 0.00 -0.12 0.00 0.00 57.88 57.81 1s4g h LEU 24 Cb 0.39 0.59 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1s4g h LEU 24 CO -0.02 -0.47 -0.20 0.00 -0.62 0.00 0.00 178.44 177.14 1s4g h SER 26 N 0.50 0.00 -0.67 0.00 0.02 -1.64 -0.41 113.55 111.36 1s4g h SER 26 Ca 0.07 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.14 1s4g h SER 26 Cb 0.74 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 1s4g h SER 26 CO 0.06 0.05 0.45 1.88 -1.14 0.00 0.00 176.83 178.12 1s4g h TYR 27 N 0.00 0.45 -0.35 3.45 0.05 -0.92 -0.32 116.97 119.34 1s4g h TYR 27 Ca -0.00 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 1s4g h TYR 27 Cb 0.16 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.69 1s4g h TYR 27 CO 0.00 0.20 0.14 0.66 -1.05 0.00 0.00 178.16 178.11 1s4g n TYR 28 N -4.47 1.14 0.00 4.88 4.01 -0.16 -4.95 117.16 117.61 1s4g n TYR 28 Ca 0.12 -0.70 0.00 0.00 -0.16 0.00 0.00 57.90 57.16 1s4g n TYR 28 Cb 0.44 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1s4g n TYR 28 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1s4g n GLN 29 N 0.03 0.00 0.00 -0.72 3.00 -0.13 -4.82 117.38 114.74 1s4g n GLN 29 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1s4g n GLN 29 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.08 1s4g n GLN 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1s4g n SER 30 N 2.01 0.00 -0.17 1.08 3.41 -1.26 -2.90 113.62 115.79 1s4g n SER 30 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1s4g n SER 30 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1s4g n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4g n THR 33 N -3.96 3.23 -2.40 0.00 -2.24 -0.85 -4.43 114.28 103.64 1s4g n THR 33 Ca -0.02 -3.36 -0.21 0.00 -2.27 0.00 0.00 64.05 58.20 1s4g n THR 33 Cb 0.52 -2.29 -0.01 0.00 -2.10 0.00 0.00 70.33 66.46 1s4g n THR 33 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s4g n ASP 34 N 10.52 -5.86 -2.65 3.42 8.00 -1.26 -4.75 116.55 123.98 1s4g n ASP 34 Ca 0.48 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.89 1s4g n ASP 34 Cb 0.46 -4.88 0.04 0.00 -0.02 0.00 0.00 41.12 36.72 1s4g n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s4g n TYR 35 N -3.98 1.60 -1.51 1.24 9.36 -0.86 -5.00 117.16 118.00 1s4g n TYR 35 Ca -0.24 -2.41 -0.40 0.00 3.32 0.00 0.00 57.90 58.16 1s4g n TYR 35 Cb 0.69 -0.28 -0.01 0.00 -0.63 0.00 0.00 39.34 39.11 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 -0.45 3.67 0.00 2.97 5.66 -1.12 -2.79 114.28 122.23 1s4g n THR 36 Ca 0.15 -2.73 0.00 0.00 -3.05 0.00 0.00 64.05 58.42 1s4g n THR 36 Cb 0.82 -2.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.01 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 5.14 0.00 -2.81 1.79 0.00 -1.10 -4.83 120.51 118.70 1s4g n ALA 37 Ca 0.62 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.92 1s4g n ALA 37 Cb 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.67 0.36 -0.16 0.00 2.56 -0.90 -4.44 118.70 114.45 1s4g s GLU 38 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 54.97 54.46 1s4g s GLU 38 Cb 0.00 -0.27 -0.23 0.00 2.00 0.00 0.00 34.13 35.62 1s4g s GLU 38 CO 0.00 0.07 0.45 0.00 -0.56 0.00 0.00 175.26 175.21 1s4g n LYS 40 N -4.32 1.30 -2.18 0.00 5.02 -1.26 -4.46 118.16 112.26 1s4g n LYS 40 Ca -0.25 0.40 -0.43 0.00 -2.02 0.00 0.00 58.31 56.02 1s4g n LYS 40 Cb 0.70 -2.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 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 5.47 3.40 1.03 1.97 0.04 -1.26 -4.99 135.00 140.65 1s4g s PRO 41 Ca 1.05 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 1s4g s PRO 41 Cb -0.85 -4.13 0.23 0.00 0.04 0.00 0.00 34.50 29.80 1s4g s PRO 41 CO 0.52 -1.79 1.29 -0.65 0.04 0.00 0.00 177.00 176.41 1s4g s GLN 42 N 5.41 0.08 0.42 4.56 -0.21 -1.26 -4.95 119.66 123.71 1s4g s GLN 42 Ca 0.69 -0.38 0.12 0.00 0.02 0.00 0.00 55.36 55.81 1s4g s GLN 42 Cb -0.17 -1.78 0.98 0.00 1.00 0.00 0.00 33.01 33.04 1s4g s GLN 42 CO 0.32 -2.79 1.99 -0.39 -2.12 0.00 0.00 175.29 172.30 1s4g h VAL 43 N -1.92 0.94 -3.43 1.09 -1.51 -1.95 -3.40 116.25 106.09 1s4g h VAL 43 Ca -0.44 -0.16 -0.10 0.00 -1.23 0.00 0.00 66.70 64.77 1s4g h VAL 43 Cb 1.24 0.45 -0.17 0.00 -2.13 0.00 0.00 31.29 30.68 1s4g h VAL 43 CO 0.34 0.08 -0.31 0.28 -1.23 0.00 0.00 177.57 176.74 1s4g s THR 44 N -5.43 0.09 0.04 7.19 -1.32 -1.24 -4.79 115.64 110.18 1s4g s THR 44 Ca -0.08 -0.78 -0.25 0.00 -1.21 0.00 0.00 61.69 59.37 1s4g s THR 44 Cb 0.19 -0.94 -0.17 0.00 -1.51 0.00 0.00 72.50 70.07 1s4g s THR 44 CO 0.75 -0.43 1.51 -0.09 -2.21 0.00 0.00 174.62 174.14 1s4g h ARG 45 N 3.29 -0.14 0.00 7.08 2.43 -1.10 -3.46 114.38 122.47 1s4g h ARG 45 Ca -0.32 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1s4g h ARG 45 Cb 1.20 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1s4g h ARG 45 CO 0.47 0.08 0.00 0.41 -1.51 0.00 0.00 179.97 179.42 1s4g n GLY 46 N -0.61 -0.82 3.68 2.80 0.00 -1.26 -5.02 105.19 103.95 1s4g n GLY 46 Ca -0.08 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 1.56 -1.06 1.61 -4.77 -1.26 -4.94 116.67 107.81 1s4g s ASP 47 Ca 0.00 0.59 -0.23 0.00 -3.30 0.00 0.00 52.55 49.62 1s4g s ASP 47 Cb 0.00 -0.83 -0.02 0.00 -1.09 0.00 0.00 42.92 40.98 1s4g s ASP 47 CO 0.00 -3.73 1.81 0.54 0.70 0.00 0.00 175.17 174.50 1s4g s VAL 48 N -3.20 3.66 -0.11 2.11 0.11 -1.26 -4.86 120.40 116.85 1s4g s VAL 48 Ca 0.71 -0.81 -0.16 0.00 -2.93 0.00 0.00 61.98 58.79 1s4g s VAL 48 Cb -0.09 -4.54 0.04 0.00 -1.53 0.00 0.00 36.38 30.26 1s4g s VAL 48 CO 0.55 -1.31 0.41 0.12 -3.33 0.00 0.00 175.10 171.55 1s4g s PHE 49 N 8.50 -0.40 0.10 1.54 2.19 -1.26 -5.02 117.98 123.63 1s4g s PHE 49 Ca 0.63 0.91 -0.28 0.00 0.33 0.00 0.00 56.93 58.51 1s4g s PHE 49 Cb -0.02 0.16 -0.11 0.00 -1.31 0.00 0.00 43.02 41.74 1s4g s PHE 49 CO 0.02 -0.29 1.64 1.79 1.83 0.00 0.00 175.22 180.21 1s4g h THR 50 N 4.21 0.41 0.00 0.12 1.35 -1.89 -0.18 112.91 116.95 1s4g h THR 50 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1s4g h THR 50 Cb 1.18 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1s4g h THR 50 CO 0.29 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.79