#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1j n SER 2 N 0.00 0.00 -0.52 1.61 7.64 -1.26 -4.67 113.62 116.43 1h1j n SER 2 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1h1j n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1h1j n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h1j n ALA 3 N 4.85 -0.10 -1.91 -0.43 0.00 -1.26 -4.77 120.51 116.89 1h1j n ALA 3 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1h1j n ALA 3 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.08 0.00 -0.28 0.00 5.68 -1.26 -4.88 116.55 114.72 1h1j n ASP 4 Ca -0.07 0.00 0.20 0.00 -0.50 0.00 0.00 54.79 54.42 1h1j n ASP 4 Cb 0.55 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.02 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 0.63 0.00 2.11 0.05 -1.95 -3.38 116.97 114.43 1h1j h TYR 5 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1h1j h TYR 5 Cb 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.55 1h1j h TYR 5 CO 0.00 0.13 0.00 0.43 -1.05 0.00 0.00 178.16 177.67 1h1j n SER 6 N -4.56 0.00 -2.81 3.88 7.64 -1.26 -1.34 113.62 115.17 1h1j n SER 6 Ca 0.22 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.99 1h1j n SER 6 Cb 0.74 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.00 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 -0.90 -3.67 6.43 2.88 -1.26 -4.87 113.62 112.23 1h1j n SER 7 Ca 0.00 -3.04 -0.30 0.00 -1.33 0.00 0.00 58.87 54.19 1h1j n SER 7 Cb 0.00 0.72 0.25 0.00 -0.75 0.00 0.00 64.21 64.42 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 -2.71 0.70 0.18 2.46 1.43 -0.45 -4.96 118.68 115.32 1h1j s LEU 8 Ca 0.27 0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 1h1j s LEU 8 Cb 0.36 -2.17 -0.08 0.00 0.03 0.00 0.00 46.19 44.34 1h1j s LEU 8 CO -0.05 -4.21 1.03 -0.89 0.23 0.00 0.00 176.35 172.46 1h1j s THR 9 N -3.08 4.05 0.57 5.49 2.01 -1.26 -4.80 115.64 118.61 1h1j s THR 9 Ca 0.72 1.82 0.33 0.00 0.31 0.00 0.00 61.69 64.87 1h1j s THR 9 Cb -0.07 -4.16 0.49 0.00 0.01 0.00 0.00 72.50 68.76 1h1j s THR 9 CO 0.56 0.34 1.77 1.62 -0.69 0.00 0.00 174.62 178.21 1h1j h VAL 10 N 3.65 0.34 -0.15 3.82 3.04 -1.96 0.48 116.25 125.47 1h1j h VAL 10 Ca -0.44 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.18 1h1j h VAL 10 Cb 1.21 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1h1j h VAL 10 CO 0.71 0.00 -0.17 1.62 -1.01 0.00 0.00 177.57 178.72 1h1j h VAL 11 N 0.00 1.35 -0.11 1.51 3.04 -1.99 -1.39 116.25 118.66 1h1j h VAL 11 Ca 0.46 -1.35 -0.18 0.00 -1.01 0.00 0.00 66.70 64.62 1h1j h VAL 11 Cb 2.05 1.90 -0.00 0.00 -2.01 0.00 0.00 31.29 33.23 1h1j h VAL 11 CO -0.00 0.40 -0.67 0.06 -1.01 0.00 0.00 177.57 176.34 1h1j h GLN 12 N -0.00 0.47 -0.66 4.17 -0.00 -0.59 0.33 115.11 118.82 1h1j h GLN 12 Ca 0.02 -0.35 0.03 0.00 -0.00 0.00 0.00 58.65 58.35 1h1j h GLN 12 Cb 0.71 0.06 -0.04 0.00 -0.00 0.00 0.00 27.48 28.21 1h1j h GLN 12 CO 0.04 0.97 0.41 -0.07 -0.00 0.00 0.00 178.83 180.18 1h1j h LEU 13 N 0.33 0.67 -1.30 0.06 4.07 -0.62 0.50 115.31 119.02 1h1j h LEU 13 Ca -0.02 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 1h1j h LEU 13 Cb 1.23 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 1h1j h LEU 13 CO 0.12 0.46 -0.32 0.50 -1.08 0.00 0.00 178.44 178.12 1h1j h LYS 14 N 0.80 0.04 -0.00 1.13 3.64 -1.02 -2.17 116.57 119.00 1h1j h LYS 14 Ca 0.27 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1h1j h LYS 14 Cb 0.03 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1h1j h LYS 14 CO -0.11 0.36 -0.00 0.22 -2.27 0.00 0.00 179.45 177.65 1h1j h ASP 15 N 0.04 0.00 -0.63 4.20 3.58 0.20 0.56 116.42 124.36 1h1j h ASP 15 Ca 0.00 -0.42 -0.00 0.00 0.42 0.00 0.00 57.03 57.03 1h1j h ASP 15 Cb 0.59 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 1h1j h ASP 15 CO 0.04 0.42 0.39 0.17 -2.88 0.00 0.00 179.24 177.39 1h1j h LEU 16 N -0.42 0.75 -0.72 2.28 -0.00 -0.21 -1.18 115.31 115.82 1h1j h LEU 16 Ca 0.00 -0.05 -0.14 0.00 -0.00 0.00 0.00 57.88 57.69 1h1j h LEU 16 Cb 0.42 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1h1j h LEU 16 CO 0.00 0.58 -0.54 -0.07 -0.00 0.00 0.00 178.44 178.41 1h1j h LEU 17 N 0.86 0.31 -0.95 0.17 3.38 -1.36 0.33 115.31 118.05 1h1j h LEU 17 Ca 0.23 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1h1j h LEU 17 Cb -0.04 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1h1j h LEU 17 CO -0.04 0.79 0.61 0.74 0.09 0.00 0.00 178.44 180.63 1h1j h THR 18 N 0.22 1.14 0.00 0.22 2.02 0.81 0.41 112.91 117.73 1h1j h THR 18 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1h1j h THR 18 Cb 1.02 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1h1j h THR 18 CO 0.09 0.21 0.00 0.11 0.37 0.00 0.00 175.52 176.30 1h1j h LYS 19 N 1.18 0.00 -0.00 6.66 1.57 -0.77 -3.05 116.57 122.16 1h1j h LYS 19 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1h1j h LYS 19 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1h1j h LYS 19 CO -0.13 0.00 -0.22 -2.13 -0.57 0.00 0.00 179.45 176.40 1h1j n ARG 20 N -2.91 0.55 -1.46 3.15 0.63 0.11 -4.89 116.66 111.84 1h1j n ARG 20 Ca 0.04 -0.26 -0.11 0.00 -0.92 0.00 0.00 57.85 56.61 1h1j n ARG 20 Cb 0.49 -1.49 -0.04 0.00 0.45 0.00 0.00 32.46 31.86 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 -1.00 -4.16 -3.13 6.15 5.15 0.95 -4.92 115.26 114.30 1h1j n ASN 21 Ca 0.11 0.22 -0.21 0.00 -0.60 0.00 0.00 54.58 54.10 1h1j n ASN 21 Cb 0.32 -2.73 -0.05 0.00 -0.53 0.00 0.00 39.78 36.78 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1h1j n LEU 22 N -1.27 -0.42 -4.04 1.20 -0.00 -0.53 -5.03 117.00 106.90 1h1j n LEU 22 Ca -0.11 -4.42 -0.37 0.00 -0.00 0.00 0.00 56.01 51.11 1h1j n LEU 22 Cb 0.39 0.66 0.01 0.00 -0.00 0.00 0.00 43.42 44.49 1h1j n LEU 22 CO 0.16 2.04 -0.73 -1.20 -0.00 0.00 0.00 177.39 177.66 1h1j n SER 23 N 1.60 -3.89 -4.77 1.96 7.64 -1.25 -4.63 113.62 110.27 1h1j n SER 23 Ca 0.20 0.56 -0.32 0.00 1.01 0.00 0.00 58.87 60.32 1h1j n SER 23 Cb 0.54 -0.80 0.07 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.92 3.39 0.00 0.44 -7.23 -1.26 -4.98 120.40 108.84 1h1j s VAL 24 Ca 0.52 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 1h1j s VAL 24 Cb -0.43 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.49 1h1j s VAL 24 CO 0.66 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 1h1j n GLY 25 N -1.11 -2.72 1.23 2.32 0.00 -1.26 -4.95 105.19 98.70 1h1j n GLY 25 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.02 3.70 -0.02 0.00 -1.26 -4.87 105.19 102.73 1h1j n GLY 26 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1h1j n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h1j s LEU 27 N -5.83 3.10 0.29 0.99 2.01 -1.26 -4.73 118.68 113.25 1h1j s LEU 27 Ca 0.00 2.26 -0.01 0.00 0.01 0.00 0.00 54.13 56.40 1h1j s LEU 27 Cb 0.00 -4.58 0.48 0.00 0.01 0.00 0.00 46.19 42.11 1h1j s LEU 27 CO 0.00 -2.62 1.91 0.50 1.01 0.00 0.00 176.35 177.15 1h1j h LYS 28 N -1.02 1.06 -0.04 1.70 1.63 -1.99 0.46 116.57 118.36 1h1j h LYS 28 Ca -0.45 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.20 1h1j h LYS 28 Cb 1.28 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 1h1j h LYS 28 CO 0.46 0.70 -0.37 -0.91 -3.45 0.00 0.00 179.45 175.88 1h1j h ASN 29 N 1.09 0.09 -0.12 4.20 2.35 -1.99 -1.41 115.58 119.78 1h1j h ASN 29 Ca 0.40 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 56.04 1h1j h ASN 29 Cb 0.16 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1h1j h ASN 29 CO -0.15 0.45 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.62 1h1j h GLU 30 N 0.08 0.48 -0.10 0.81 4.39 -0.50 0.48 114.58 120.22 1h1j h GLU 30 Ca 0.01 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1h1j h GLU 30 Cb 0.69 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1h1j h GLU 30 CO 0.05 0.61 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.44 1h1j h LEU 31 N 0.45 0.18 -0.44 1.33 -0.00 0.01 0.42 115.31 117.26 1h1j h LEU 31 Ca 0.08 -0.32 -0.01 0.00 -0.00 0.00 0.00 57.88 57.62 1h1j h LEU 31 Cb 0.50 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 1h1j h LEU 31 CO 0.03 0.46 0.22 1.62 -0.00 0.00 0.00 178.44 180.77 1h1j h VAL 32 N -0.10 1.18 -0.44 1.22 3.04 -0.83 -1.70 116.25 118.62 1h1j h VAL 32 Ca 0.03 -0.49 -0.11 0.00 -1.01 0.00 0.00 66.70 65.11 1h1j h VAL 32 Cb 0.37 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1h1j h VAL 32 CO 0.01 0.19 -0.17 1.56 -1.01 0.00 0.00 177.57 178.15 1h1j h GLN 33 N 0.56 0.89 -0.30 4.17 4.20 0.06 -1.25 115.11 123.44 1h1j h GLN 33 Ca 0.15 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 1h1j h GLN 33 Cb 0.11 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1h1j h GLN 33 CO -0.02 1.02 0.07 -0.09 -0.67 0.00 0.00 178.83 179.14 1h1j h ARG 34 N 0.72 0.48 -0.05 1.46 2.43 0.04 0.42 114.38 119.88 1h1j h ARG 34 Ca 0.10 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1h1j h ARG 34 Cb 0.73 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1h1j h ARG 34 CO 0.06 0.56 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.85 1h1j h LEU 35 N 0.33 0.23 -0.27 3.80 3.38 -1.32 -0.30 115.31 121.16 1h1j h LEU 35 Ca 0.09 -0.61 -0.13 0.00 0.09 0.00 0.00 57.88 57.33 1h1j h LEU 35 Cb 0.29 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1h1j h LEU 35 CO 0.00 0.80 -0.33 0.40 0.09 0.00 0.00 178.44 179.40 1h1j h ILE 36 N -0.32 1.31 -0.28 1.22 2.04 -1.25 0.36 117.51 120.59 1h1j h ILE 36 Ca -0.00 -1.51 -0.14 0.00 1.00 0.00 0.00 64.86 64.21 1h1j h ILE 36 Cb 0.78 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1h1j h ILE 36 CO 0.03 0.48 -0.37 0.50 0.00 0.00 0.00 178.15 178.80 1h1j h LYS 37 N 0.42 0.74 -0.24 2.37 1.63 -0.25 0.14 116.57 121.38 1h1j h LYS 37 Ca 0.03 -0.42 -0.18 0.00 -0.85 0.00 0.00 60.65 59.23 1h1j h LYS 37 Cb 0.91 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1h1j h LYS 37 CO 0.08 1.05 -0.56 0.22 -3.45 0.00 0.00 179.45 176.79 1h1j h ASP 38 N 0.48 0.91 -0.14 4.20 3.58 -1.04 -3.08 116.42 121.32 1h1j h ASP 38 Ca 0.03 -0.56 -0.20 0.00 0.42 0.00 0.00 57.03 56.72 1h1j h ASP 38 Cb 0.96 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.75 1h1j h ASP 38 CO 0.09 1.30 -0.71 -0.78 -2.88 0.00 0.00 179.24 176.26 1h1j h ASP 39 N 0.56 0.87 -0.67 2.28 3.58 -0.28 -3.14 116.42 119.62 1h1j h ASP 39 Ca -0.00 -0.63 0.12 0.00 0.42 0.00 0.00 57.03 56.94 1h1j h ASP 39 Cb 1.17 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.92 1h1j h ASP 39 CO 0.12 1.36 0.45 -0.33 -2.88 0.00 0.00 179.24 177.96 1h1j h GLU 40 N 0.44 0.41 0.00 0.28 4.39 -0.77 -3.42 114.58 115.90 1h1j h GLU 40 Ca -0.05 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 1h1j h GLU 40 Cb 1.34 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1h1j h GLU 40 CO 0.15 0.27 -0.04 0.39 -1.16 0.00 0.00 179.01 178.62 1h1j n GLU 41 N -4.47 1.18 -2.49 2.33 4.71 -1.17 -5.06 120.64 115.68 1h1j n GLU 41 Ca 0.12 -0.66 -0.16 0.00 -0.01 0.00 0.00 57.16 56.45 1h1j n GLU 41 Cb 0.44 0.03 0.02 0.00 -1.01 0.00 0.00 31.44 30.92 1h1j n GLU 41 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1h1j n SER 42 N -2.30 3.29 -4.23 1.62 2.88 -1.26 -4.91 113.62 108.71 1h1j n SER 42 Ca 0.01 -3.12 -0.36 0.00 -1.33 0.00 0.00 58.87 54.07 1h1j n SER 42 Cb 0.12 -0.45 -0.13 0.00 -0.75 0.00 0.00 64.21 63.00 1h1j n SER 42 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1h1j s LYS 43 N -3.50 2.61 0.00 -1.46 -0.14 -1.26 -5.19 119.74 110.79 1h1j s LYS 43 Ca 0.39 -1.16 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 1h1j s LYS 43 Cb 0.40 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 1h1j s LYS 43 CO -0.05 -0.59 0.00 0.41 -0.76 0.00 0.00 175.35 174.36