#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 1.07 -2.68 1.61 3.41 -1.26 -5.08 113.62 110.68 1h1j n SER 2 Ca 0.00 -1.83 -0.05 0.00 -0.26 0.00 0.00 58.87 56.73 1h1j n SER 2 Cb 0.00 -0.34 0.09 0.00 -0.26 0.00 0.00 64.21 63.70 1h1j n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h1j n ALA 3 N -2.77 -2.74 -1.99 7.33 0.00 -1.26 -5.06 120.51 114.02 1h1j n ALA 3 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1h1j n ALA 3 Cb 0.37 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 0.97 0.00 -0.02 0.00 5.75 -1.26 -4.82 116.55 117.18 1h1j n ASP 4 Ca 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 54.79 55.02 1h1j n ASP 4 Cb 0.72 0.00 0.69 0.00 -1.03 0.00 0.00 41.12 41.50 1h1j n ASP 4 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1h1j h TYR 5 N 0.00 0.00 0.00 2.11 0.05 -1.96 -3.25 116.97 113.92 1h1j h TYR 5 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1h1j h TYR 5 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1h1j h TYR 5 CO 0.00 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 175.98 1h1j n SER 6 N -3.70 0.00 -2.74 3.88 3.41 -1.26 -1.66 113.62 111.56 1h1j n SER 6 Ca 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.72 1h1j n SER 6 Cb 0.86 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.91 1h1j n SER 6 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1h1j n SER 7 N -3.29 -0.20 -4.87 4.04 2.88 -1.23 -5.06 113.62 105.88 1h1j n SER 7 Ca 0.00 -2.16 -0.30 0.00 -1.33 0.00 0.00 58.87 55.08 1h1j n SER 7 Cb 0.00 0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.64 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 -3.95 3.70 0.74 2.46 1.43 -0.66 -5.04 118.68 117.36 1h1j s LEU 8 Ca 0.17 1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 54.40 1h1j s LEU 8 Cb 0.40 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1h1j s LEU 8 CO -0.09 -0.51 1.08 0.42 0.23 0.00 0.00 176.35 177.48 1h1j s THR 9 N -2.55 3.59 0.58 5.49 -4.23 -1.26 -4.63 115.64 112.63 1h1j s THR 9 Ca 0.53 0.52 0.30 0.00 -1.18 0.00 0.00 61.69 61.86 1h1j s THR 9 Cb -0.10 -3.28 0.42 0.00 1.34 0.00 0.00 72.50 70.88 1h1j s THR 9 CO 0.35 -0.68 1.82 -0.37 -0.54 0.00 0.00 174.62 175.21 1h1j h VAL 10 N -0.87 0.36 -0.21 2.29 -1.51 -1.96 0.13 116.25 114.49 1h1j h VAL 10 Ca -0.45 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.98 1h1j h VAL 10 Cb 1.24 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1h1j h VAL 10 CO 0.58 0.00 -0.00 0.58 -1.23 0.00 0.00 177.57 177.50 1h1j h VAL 11 N 0.00 1.26 -0.11 7.19 2.07 -1.98 0.20 116.25 124.88 1h1j h VAL 11 Ca 0.32 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 1h1j h VAL 11 Cb 1.59 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1h1j h VAL 11 CO -0.00 0.27 -0.44 1.56 0.02 0.00 0.00 177.57 178.98 1h1j h GLN 12 N 0.13 0.49 -0.75 1.57 1.08 -1.15 -0.06 115.11 116.42 1h1j h GLN 12 Ca 0.06 -0.38 0.07 0.00 -1.45 0.00 0.00 58.65 56.95 1h1j h GLN 12 Cb 0.41 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.85 1h1j h GLN 12 CO 0.01 1.01 0.43 -0.07 -0.95 0.00 0.00 178.83 179.26 1h1j h LEU 13 N 0.09 0.63 -0.90 1.46 3.38 -1.11 0.12 115.31 118.98 1h1j h LEU 13 Ca -0.02 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1h1j h LEU 13 Cb 1.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1h1j h LEU 13 CO 0.09 0.39 -0.43 0.50 0.09 0.00 0.00 178.44 179.08 1h1j h LYS 14 N 0.76 0.26 0.01 1.13 3.64 -0.52 -2.03 116.57 119.82 1h1j h LYS 14 Ca 0.34 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1h1j h LYS 14 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1h1j h LYS 14 CO -0.21 0.65 -0.01 0.22 -2.27 0.00 0.00 179.45 177.83 1h1j h ASP 15 N 0.21 -0.01 -0.50 4.20 3.58 0.11 0.44 116.42 124.45 1h1j h ASP 15 Ca 0.02 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 1h1j h ASP 15 Cb 0.85 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1h1j h ASP 15 CO 0.07 0.33 0.27 0.17 -2.88 0.00 0.00 179.24 177.20 1h1j h LEU 16 N -0.36 0.62 -0.85 2.28 -0.00 -0.93 -1.43 115.31 114.65 1h1j h LEU 16 Ca -0.00 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 57.67 1h1j h LEU 16 Cb 0.35 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1h1j h LEU 16 CO 0.00 0.53 -0.38 -0.07 -0.00 0.00 0.00 178.44 178.52 1h1j h LEU 17 N 0.66 0.40 -0.65 0.17 3.38 -1.31 0.43 115.31 118.40 1h1j h LEU 17 Ca 0.18 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1h1j h LEU 17 Cb 0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1h1j h LEU 17 CO -0.03 0.75 0.42 0.74 0.09 0.00 0.00 178.44 180.42 1h1j h THR 18 N 0.33 1.15 0.00 0.22 2.02 0.34 -0.03 112.91 116.94 1h1j h THR 18 Ca 0.03 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1h1j h THR 18 Cb 0.82 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1h1j h THR 18 CO 0.07 0.16 0.00 0.50 0.37 0.00 0.00 175.52 176.61 1h1j h LYS 19 N 0.86 0.00 -0.01 6.66 3.64 -0.83 -3.13 116.57 123.76 1h1j h LYS 19 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1h1j h LYS 19 Cb -0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1h1j h LYS 19 CO -0.06 0.00 -0.00 -2.13 -2.27 0.00 0.00 179.45 174.99 1h1j n ARG 20 N -2.37 1.48 -1.39 1.90 0.63 0.15 -4.88 116.66 112.19 1h1j n ARG 20 Ca 0.05 -0.70 -0.11 0.00 -0.92 0.00 0.00 57.85 56.17 1h1j n ARG 20 Cb 0.43 -1.49 -0.04 0.00 0.45 0.00 0.00 32.46 31.81 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 -0.14 -4.30 -3.38 6.15 5.15 -0.78 -4.94 115.26 113.01 1h1j n ASN 21 Ca 0.20 0.26 -0.17 0.00 -0.60 0.00 0.00 54.58 54.27 1h1j n ASN 21 Cb 0.29 -2.83 -0.09 0.00 -0.53 0.00 0.00 39.78 36.62 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1h1j s LEU 22 N -2.59 -0.18 0.00 1.20 1.98 -0.55 -5.05 118.68 113.48 1h1j s LEU 22 Ca 0.00 -1.07 0.00 0.00 -2.89 0.00 0.00 54.13 50.17 1h1j s LEU 22 Cb 0.00 0.54 0.00 0.00 0.66 0.00 0.00 46.19 47.39 1h1j s LEU 22 CO 0.00 -0.34 0.00 -1.20 -1.89 0.00 0.00 176.35 172.92 1h1j n SER 23 N 4.89 -1.16 -4.64 3.68 7.64 -1.25 -4.29 113.62 118.49 1h1j n SER 23 Ca 0.03 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.66 1h1j n SER 23 Cb 0.46 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 1h1j n SER 23 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1h1j s VAL 24 N -0.58 3.49 0.00 0.44 1.01 -1.26 -4.87 120.40 118.63 1h1j s VAL 24 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1h1j s VAL 24 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1h1j s VAL 24 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1h1j n GLY 25 N -0.44 -0.12 0.00 4.51 0.00 -1.26 -4.93 105.19 102.95 1h1j n GLY 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.20 3.55 -0.02 0.00 -1.26 -4.95 105.19 101.30 1h1j n GLY 26 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.80 1.27 0.20 0.99 2.34 -1.26 -4.62 118.68 116.80 1h1j s LEU 27 Ca 0.00 1.57 -0.11 0.00 0.06 0.00 0.00 54.13 55.65 1h1j s LEU 27 Cb 0.00 -3.60 0.26 0.00 -0.56 0.00 0.00 46.19 42.29 1h1j s LEU 27 CO 0.00 -3.85 1.70 0.50 -1.06 0.00 0.00 176.35 173.64 1h1j h LYS 28 N -2.38 0.21 -0.54 1.48 1.63 -1.99 -0.75 116.57 114.23 1h1j h LYS 28 Ca -0.58 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.17 1h1j h LYS 28 Cb 1.32 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 1h1j h LYS 28 CO 0.50 0.14 0.17 -0.91 -3.45 0.00 0.00 179.45 175.90 1h1j h ASN 29 N 0.22 0.78 -0.83 4.20 -0.26 -1.99 -1.12 115.58 116.59 1h1j h ASN 29 Ca 0.29 -0.21 0.09 0.00 -0.56 0.00 0.00 56.30 55.92 1h1j h ASN 29 Cb 0.43 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.43 1h1j h ASN 29 CO -0.40 0.79 0.54 -0.33 -1.06 0.00 0.00 177.43 176.97 1h1j h GLU 30 N 0.74 0.78 -0.14 0.81 4.39 -1.59 0.35 114.58 119.92 1h1j h GLU 30 Ca 0.17 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1h1j h GLU 30 Cb 0.28 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1h1j h GLU 30 CO -0.00 0.52 0.05 -0.07 -1.16 0.00 0.00 179.01 178.34 1h1j h LEU 31 N 0.80 0.21 -0.65 1.33 -0.00 -0.34 0.36 115.31 117.03 1h1j h LEU 31 Ca 0.38 -0.20 0.05 0.00 -0.00 0.00 0.00 57.88 58.11 1h1j h LEU 31 Cb 0.41 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 40.96 1h1j h LEU 31 CO -0.15 0.35 0.37 1.62 -0.00 0.00 0.00 178.44 180.63 1h1j h VAL 32 N 0.05 1.00 -0.33 1.22 3.04 0.21 -1.36 116.25 120.08 1h1j h VAL 32 Ca 0.05 -0.24 -0.07 0.00 -1.01 0.00 0.00 66.70 65.43 1h1j h VAL 32 Cb 0.22 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 1h1j h VAL 32 CO -0.00 0.13 -0.06 1.56 -1.01 0.00 0.00 177.57 178.18 1h1j h GLN 33 N 0.69 0.62 -0.48 4.17 4.20 -0.05 -1.64 115.11 122.63 1h1j h GLN 33 Ca 0.28 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1h1j h GLN 33 Cb 0.14 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1h1j h GLN 33 CO -0.16 0.79 0.25 -0.09 -0.67 0.00 0.00 178.83 178.95 1h1j h ARG 34 N 0.41 0.68 -0.06 1.46 2.43 0.22 0.42 114.38 119.94 1h1j h ARG 34 Ca 0.09 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1h1j h ARG 34 Cb 0.55 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1h1j h ARG 34 CO 0.03 0.55 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.85 1h1j h LEU 35 N 0.64 0.20 -0.55 3.80 3.38 -1.27 -0.38 115.31 121.13 1h1j h LEU 35 Ca 0.17 -0.57 -0.15 0.00 0.09 0.00 0.00 57.88 57.42 1h1j h LEU 35 Cb 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1h1j h LEU 35 CO -0.02 0.74 -0.44 0.40 0.09 0.00 0.00 178.44 179.20 1h1j h ILE 36 N -0.32 1.30 -0.30 1.22 2.04 -1.28 0.44 117.51 120.60 1h1j h ILE 36 Ca 0.00 -1.63 -0.17 0.00 1.00 0.00 0.00 64.86 64.06 1h1j h ILE 36 Cb 0.71 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1h1j h ILE 36 CO 0.03 0.52 -0.48 0.11 0.00 0.00 0.00 178.15 178.32 1h1j h LYS 37 N 0.54 0.86 -0.20 2.37 1.79 -0.20 -0.52 116.57 121.21 1h1j h LYS 37 Ca 0.04 -0.52 -0.18 0.00 -2.18 0.00 0.00 60.65 57.81 1h1j h LYS 37 Cb 0.98 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1h1j h LYS 37 CO 0.09 1.16 -0.59 -0.44 -1.08 0.00 0.00 179.45 178.59 1h1j h ASP 38 N 0.64 0.73 -0.11 0.86 5.19 -0.94 -2.01 116.42 120.78 1h1j h ASP 38 Ca 0.03 -0.41 -0.17 0.00 -0.62 0.00 0.00 57.03 55.86 1h1j h ASP 38 Cb 1.09 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 1h1j h ASP 38 CO 0.11 1.15 -0.53 -0.78 -3.12 0.00 0.00 179.24 176.08 1h1j h ASP 39 N 0.49 0.76 -0.14 6.45 3.58 -0.07 -3.23 116.42 124.26 1h1j h ASP 39 Ca -0.00 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 56.99 1h1j h ASP 39 Cb 1.16 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 1h1j h ASP 39 CO 0.12 1.14 -0.17 -0.08 -2.88 0.00 0.00 179.24 177.37 1h1j h GLU 40 N 0.54 0.36 -2.51 0.28 4.22 -1.07 -3.49 114.58 112.91 1h1j h GLU 40 Ca 0.02 -0.20 0.24 0.00 0.08 0.00 0.00 59.36 59.50 1h1j h GLU 40 Cb 1.09 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.26 1h1j h GLU 40 CO 0.11 0.76 -0.56 -1.91 -2.18 0.00 0.00 179.01 175.23 1h1j n GLU 41 N -4.54 -2.02 0.00 1.92 4.07 -0.76 -4.87 120.64 114.44 1h1j n GLU 41 Ca -0.06 1.49 0.00 0.00 -0.06 0.00 0.00 57.16 58.53 1h1j n GLU 41 Cb 0.38 -2.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.18 1h1j n GLU 41 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1h1j n SER 42 N -4.24 -3.38 -3.34 4.31 7.64 -1.26 -4.54 113.62 108.80 1h1j n SER 42 Ca -0.02 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.60 1h1j n SER 42 Cb 0.62 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.73 1h1j n SER 42 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1h1j n LYS 43 N -0.92 0.88 0.00 1.43 0.00 -1.26 -5.15 118.16 113.14 1h1j n LYS 43 Ca 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 58.31 54.81 1h1j n LYS 43 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 33.45 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81