#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1j s SER 2 N 0.00 -0.74 -0.22 1.61 0.15 -1.26 -5.04 113.70 108.21 1h1j s SER 2 Ca 0.00 1.29 -0.06 0.00 0.70 0.00 0.00 55.95 57.88 1h1j s SER 2 Cb 0.00 1.65 0.02 0.00 -1.71 0.00 0.00 66.02 65.98 1h1j s SER 2 CO 0.00 -0.22 0.12 0.00 1.20 0.00 0.00 173.24 174.33 1h1j n ALA 3 N 5.11 -3.35 -1.88 5.45 0.00 -1.26 -5.05 120.51 119.53 1h1j n ALA 3 Ca -0.13 1.34 0.00 0.00 0.00 0.00 0.00 53.44 54.65 1h1j n ALA 3 Cb 0.51 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1h1j n ALA 3 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h1j n ASP 4 N 1.33 0.00 -0.28 0.00 5.68 -1.26 -4.87 116.55 117.15 1h1j n ASP 4 Ca -0.20 0.00 0.24 0.00 -0.50 0.00 0.00 54.79 54.34 1h1j n ASP 4 Cb 0.34 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 40.89 1h1j n ASP 4 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1h1j h TYR 5 N 0.00 0.44 0.00 2.11 0.05 -1.95 -3.37 116.97 114.25 1h1j h TYR 5 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1h1j h TYR 5 Cb 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.61 1h1j h TYR 5 CO 0.00 0.07 0.00 0.43 -1.05 0.00 0.00 178.16 177.61 1h1j n SER 6 N -4.48 0.00 -2.82 3.88 7.64 -1.26 -1.35 113.62 115.23 1h1j n SER 6 Ca 0.23 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.00 1h1j n SER 6 Cb 0.90 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.15 1h1j n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1h1j n SER 7 N 0.00 -0.85 -4.03 6.43 2.88 -1.26 -4.89 113.62 111.90 1h1j n SER 7 Ca 0.00 -3.07 -0.30 0.00 -1.33 0.00 0.00 58.87 54.17 1h1j n SER 7 Cb 0.00 0.69 0.21 0.00 -0.75 0.00 0.00 64.21 64.36 1h1j n SER 7 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1h1j s LEU 8 N -2.68 1.58 0.26 2.46 1.43 -0.46 -4.99 118.68 116.29 1h1j s LEU 8 Ca 0.27 0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 1h1j s LEU 8 Cb 0.36 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1h1j s LEU 8 CO -0.05 -3.46 1.00 0.28 0.23 0.00 0.00 176.35 174.35 1h1j s THR 9 N -3.36 3.85 0.43 5.49 -1.32 -1.26 -4.81 115.64 114.66 1h1j s THR 9 Ca 0.71 1.83 0.23 0.00 -1.21 0.00 0.00 61.69 63.26 1h1j s THR 9 Cb -0.08 -4.15 0.43 0.00 -1.51 0.00 0.00 72.50 67.19 1h1j s THR 9 CO 0.55 0.41 1.78 0.58 -2.21 0.00 0.00 174.62 175.73 1h1j h VAL 10 N 3.07 0.49 -0.30 5.08 2.07 -1.95 0.15 116.25 124.86 1h1j h VAL 10 Ca -0.46 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1h1j h VAL 10 Cb 1.20 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1h1j h VAL 10 CO 0.67 0.05 0.06 1.62 0.02 0.00 0.00 177.57 180.00 1h1j h VAL 11 N 0.29 1.22 -0.11 2.57 3.04 -1.98 -1.26 116.25 120.02 1h1j h VAL 11 Ca 0.58 -0.76 -0.20 0.00 -1.01 0.00 0.00 66.70 65.32 1h1j h VAL 11 Cb 1.69 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 32.11 1h1j h VAL 11 CO -0.23 0.25 -0.73 0.06 -1.01 0.00 0.00 177.57 175.91 1h1j h GLN 12 N 0.32 0.55 -0.98 4.17 -0.00 -1.18 0.82 115.11 118.81 1h1j h GLN 12 Ca 0.09 -0.44 0.05 0.00 -0.00 0.00 0.00 58.65 58.35 1h1j h GLN 12 Cb 0.31 0.09 -0.06 0.00 -0.00 0.00 0.00 27.48 27.82 1h1j h GLN 12 CO 0.00 1.07 0.64 -0.07 -0.00 0.00 0.00 178.83 180.47 1h1j h LEU 13 N 0.38 1.04 -1.11 0.06 4.07 -0.91 0.86 115.31 119.71 1h1j h LEU 13 Ca -0.03 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 1h1j h LEU 13 Cb 1.32 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 1h1j h LEU 13 CO 0.14 0.69 -0.42 0.50 -1.08 0.00 0.00 178.44 178.26 1h1j h LYS 14 N 1.19 0.05 -0.02 1.13 3.11 -0.95 -2.05 116.57 119.03 1h1j h LYS 14 Ca 0.40 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.22 1h1j h LYS 14 Cb 0.08 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1h1j h LYS 14 CO -0.14 0.46 -0.01 0.22 -2.81 0.00 0.00 179.45 177.17 1h1j h ASP 15 N 0.04 0.04 -0.52 4.20 3.58 0.30 0.57 116.42 124.64 1h1j h ASP 15 Ca 0.00 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.03 1h1j h ASP 15 Cb 0.76 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 1h1j h ASP 15 CO 0.06 0.44 0.26 0.17 -2.88 0.00 0.00 179.24 177.29 1h1j h LEU 16 N -0.36 0.67 -0.76 2.28 -0.00 -0.22 -1.19 115.31 115.73 1h1j h LEU 16 Ca 0.00 -0.12 -0.13 0.00 -0.00 0.00 0.00 57.88 57.64 1h1j h LEU 16 Cb 0.42 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1h1j h LEU 16 CO 0.00 0.60 -0.48 -0.07 -0.00 0.00 0.00 178.44 178.50 1h1j h LEU 17 N 0.69 0.37 -0.83 0.17 3.38 -1.35 0.30 115.31 118.04 1h1j h LEU 17 Ca 0.18 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1h1j h LEU 17 Cb 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1h1j h LEU 17 CO -0.02 0.79 0.54 0.74 0.09 0.00 0.00 178.44 180.57 1h1j h THR 18 N 0.27 1.16 0.00 0.22 2.02 0.66 0.21 112.91 117.45 1h1j h THR 18 Ca 0.02 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1h1j h THR 18 Cb 0.94 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1h1j h THR 18 CO 0.08 0.19 0.00 0.11 0.37 0.00 0.00 175.52 176.27 1h1j h LYS 19 N 1.06 0.00 -0.01 6.66 1.79 -0.77 -3.05 116.57 122.25 1h1j h LYS 19 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1h1j h LYS 19 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1h1j h LYS 19 CO -0.10 0.00 -0.01 -2.13 -1.08 0.00 0.00 179.45 176.13 1h1j n ARG 20 N -2.55 1.43 -1.56 3.15 0.63 0.10 -4.87 116.66 112.99 1h1j n ARG 20 Ca 0.05 -0.66 -0.13 0.00 -0.92 0.00 0.00 57.85 56.19 1h1j n ARG 20 Cb 0.44 -1.49 -0.04 0.00 0.45 0.00 0.00 32.46 31.82 1h1j n ARG 20 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1h1j n ASN 21 N -0.21 -4.43 -3.35 6.15 2.85 -0.46 -4.94 115.26 110.87 1h1j n ASN 21 Ca 0.20 0.25 -0.14 0.00 -0.11 0.00 0.00 54.58 54.78 1h1j n ASN 21 Cb 0.28 -3.18 -0.07 0.00 1.24 0.00 0.00 39.78 38.05 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1h1j s LEU 22 N -3.08 -0.33 0.00 1.20 1.98 -0.47 -5.05 118.68 112.94 1h1j s LEU 22 Ca 0.00 -1.13 -0.02 0.00 -2.89 0.00 0.00 54.13 50.10 1h1j s LEU 22 Cb 0.00 0.74 0.02 0.00 0.66 0.00 0.00 46.19 47.61 1h1j s LEU 22 CO 0.00 -0.30 0.06 -1.20 -1.89 0.00 0.00 176.35 173.02 1h1j n SER 23 N 4.70 -1.51 -4.65 3.68 7.64 -1.25 -4.32 113.62 117.90 1h1j n SER 23 Ca 0.06 -0.06 -0.26 0.00 1.01 0.00 0.00 58.87 59.63 1h1j n SER 23 Cb 0.47 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.51 1h1j n SER 23 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1h1j s VAL 24 N -0.79 3.61 0.00 0.44 -7.23 -1.26 -4.89 120.40 110.28 1h1j s VAL 24 Ca 0.04 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1h1j s VAL 24 Cb -0.01 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1h1j s VAL 24 CO 0.04 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1h1j n GLY 25 N -0.28 0.00 0.00 2.32 0.00 -1.26 -4.91 105.19 101.06 1h1j n GLY 25 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1h1j n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h1j n GLY 26 N 0.00 -1.14 3.57 -0.02 0.00 -1.26 -4.94 105.19 101.40 1h1j n GLY 26 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1h1j n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1h1j s LEU 27 N -0.94 1.54 0.21 0.99 2.34 -1.26 -4.61 118.68 116.95 1h1j s LEU 27 Ca 0.00 1.68 -0.10 0.00 0.06 0.00 0.00 54.13 55.77 1h1j s LEU 27 Cb 0.00 -3.78 0.29 0.00 -0.56 0.00 0.00 46.19 42.14 1h1j s LEU 27 CO 0.00 -3.71 1.70 0.50 -1.06 0.00 0.00 176.35 173.78 1h1j h LYS 28 N -2.29 0.23 -0.52 1.48 1.63 -1.99 -0.83 116.57 114.28 1h1j h LYS 28 Ca -0.55 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.21 1h1j h LYS 28 Cb 1.31 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.86 1h1j h LYS 28 CO 0.49 0.16 0.22 -0.91 -3.45 0.00 0.00 179.45 175.96 1h1j h ASN 29 N 0.24 0.71 -0.94 4.20 4.21 -1.99 -1.12 115.58 120.88 1h1j h ASN 29 Ca 0.31 -0.16 0.09 0.00 1.21 0.00 0.00 56.30 57.75 1h1j h ASN 29 Cb 0.46 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.41 1h1j h ASN 29 CO -0.41 0.67 0.61 -0.33 -1.29 0.00 0.00 177.43 176.68 1h1j h GLU 30 N 0.70 0.98 -0.29 0.81 4.39 -1.57 0.42 114.58 120.03 1h1j h GLU 30 Ca 0.18 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1h1j h GLU 30 Cb 0.17 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1h1j h GLU 30 CO -0.02 0.65 0.16 -0.07 -1.16 0.00 0.00 179.01 178.57 1h1j h LEU 31 N 1.00 0.36 -0.60 1.33 -0.00 -0.42 0.44 115.31 117.43 1h1j h LEU 31 Ca 0.43 -0.08 0.02 0.00 -0.00 0.00 0.00 57.88 58.24 1h1j h LEU 31 Cb 0.33 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 1h1j h LEU 31 CO -0.19 0.34 0.38 1.62 -0.00 0.00 0.00 178.44 180.59 1h1j h VAL 32 N 0.35 1.10 -0.37 1.22 3.04 0.28 -1.12 116.25 120.75 1h1j h VAL 32 Ca 0.10 -0.26 -0.12 0.00 -1.01 0.00 0.00 66.70 65.42 1h1j h VAL 32 Cb 0.06 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 29.61 1h1j h VAL 32 CO -0.02 0.14 -0.24 1.56 -1.01 0.00 0.00 177.57 178.00 1h1j h GLN 33 N 0.75 0.74 -0.20 4.17 1.08 0.31 -1.14 115.11 120.83 1h1j h GLN 33 Ca 0.23 -0.30 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 1h1j h GLN 33 Cb -0.02 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1h1j h GLN 33 CO -0.08 0.91 -0.22 -0.09 -0.95 0.00 0.00 178.83 178.40 1h1j h ARG 34 N 0.65 0.50 -0.09 1.46 2.43 0.36 0.12 114.38 119.82 1h1j h ARG 34 Ca 0.09 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 1h1j h ARG 34 Cb 0.74 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1h1j h ARG 34 CO 0.06 0.85 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.11 1h1j h LEU 35 N 0.18 0.33 -0.40 3.80 3.38 -1.23 0.72 115.31 122.09 1h1j h LEU 35 Ca 0.03 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 57.31 1h1j h LEU 35 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1h1j h LEU 35 CO 0.05 0.83 -0.23 0.40 0.09 0.00 0.00 178.44 179.59 1h1j h ILE 36 N -0.16 1.28 -0.30 1.22 2.04 -1.28 0.36 117.51 120.67 1h1j h ILE 36 Ca 0.00 -1.38 -0.17 0.00 1.00 0.00 0.00 64.86 64.31 1h1j h ILE 36 Cb 0.78 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1h1j h ILE 36 CO 0.04 0.46 -0.50 0.50 0.00 0.00 0.00 178.15 178.66 1h1j h LYS 37 N 0.68 0.84 -0.07 2.37 3.64 -0.80 -0.40 116.57 122.83 1h1j h LYS 37 Ca 0.09 -0.50 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1h1j h LYS 37 Cb 0.80 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1h1j h LYS 37 CO 0.07 1.14 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.78 1h1j h ASP 38 N 0.66 0.27 0.43 4.20 5.19 -0.76 -2.41 116.42 123.99 1h1j h ASP 38 Ca 0.03 -0.57 -0.05 0.00 -0.62 0.00 0.00 57.03 55.81 1h1j h ASP 38 Cb 1.09 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 1h1j h ASP 38 CO 0.11 0.79 -0.26 -0.78 -3.12 0.00 0.00 179.24 175.98 1h1j h ASP 39 N -0.25 0.00 0.26 6.45 1.82 -0.32 -0.45 116.42 123.93 1h1j h ASP 39 Ca 0.00 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.46 1h1j h ASP 39 Cb 0.75 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 1h1j h ASP 39 CO 0.04 0.26 -0.71 -0.08 -1.61 0.00 0.00 179.24 177.13 1h1j h GLU 40 N 0.00 0.40 -0.00 0.28 4.57 -1.00 -3.08 114.58 115.75 1h1j h GLU 40 Ca -0.00 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1h1j h GLU 40 Cb 0.54 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1h1j h GLU 40 CO 0.03 0.95 -0.47 -1.91 -1.18 0.00 0.00 179.01 176.44 1h1j n GLU 41 N -3.84 0.02 -3.22 1.92 4.07 -0.92 -4.51 120.64 114.16 1h1j n GLU 41 Ca -0.04 -0.01 -0.45 0.00 -0.06 0.00 0.00 57.16 56.60 1h1j n GLU 41 Cb 0.70 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 1h1j n GLU 41 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1h1j n SER 42 N -1.48 5.63 0.00 4.31 2.88 -0.21 -4.61 113.62 120.13 1h1j n SER 42 Ca 0.06 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.50 1h1j n SER 42 Cb 0.34 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1h1j n SER 42 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1h1j n LYS 43 N 2.82 0.00 0.00 -1.46 4.81 -1.26 -4.90 118.16 118.17 1h1j n LYS 43 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1h1j n LYS 43 Cb 0.38 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.43 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98