#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 -0.60 -0.64 1.61 3.41 -1.26 -5.15 113.62 110.99 1h1j n SER 2 Ca 0.00 0.17 0.08 0.00 -0.26 0.00 0.00 58.87 58.86 1h1j n SER 2 Cb 0.00 0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 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 -2.73 -2.32 -1.98 7.33 0.00 -1.26 -4.91 120.51 114.65 1h1j n ALA 3 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1h1j n ALA 3 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -4.25 0.00 -0.22 0.00 5.68 -1.26 -4.85 116.55 111.66 1h1j n ASP 4 Ca 0.00 0.00 0.29 0.00 -0.50 0.00 0.00 54.79 54.59 1h1j n ASP 4 Cb 0.25 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 40.95 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 0.05 0.00 2.11 0.05 -1.95 -3.35 116.97 113.88 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 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1h1j h TYR 5 CO 0.00 0.01 0.00 -1.13 -1.05 0.00 0.00 178.16 175.99 1h1j n SER 6 N -4.27 0.00 -2.69 3.88 3.41 -1.26 -1.47 113.62 111.21 1h1j n SER 6 Ca 0.20 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.75 1h1j n SER 6 Cb 1.01 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 65.05 1h1j n SER 6 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1h1j n SER 7 N -0.49 -0.71 -4.44 4.04 7.64 -1.26 -4.87 113.62 113.54 1h1j n SER 7 Ca 0.00 -2.47 -0.28 0.00 1.01 0.00 0.00 58.87 57.12 1h1j n SER 7 Cb 0.00 0.46 0.24 0.00 -1.01 0.00 0.00 64.21 63.90 1h1j n SER 7 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1h1j s LEU 8 N -3.33 0.76 0.55 -3.43 1.43 -0.54 -4.95 118.68 109.17 1h1j s LEU 8 Ca 0.22 1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 54.48 1h1j s LEU 8 Cb 0.42 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.34 1h1j s LEU 8 CO -0.06 -4.11 1.04 0.42 0.23 0.00 0.00 176.35 173.88 1h1j s THR 9 N -2.58 3.91 0.57 5.49 -4.23 -1.26 -4.70 115.64 112.83 1h1j s THR 9 Ca 0.68 0.99 0.33 0.00 -1.18 0.00 0.00 61.69 62.50 1h1j s THR 9 Cb -0.22 -3.45 0.47 0.00 1.34 0.00 0.00 72.50 70.64 1h1j s THR 9 CO 0.63 -0.45 1.77 1.62 -0.54 0.00 0.00 174.62 177.65 1h1j h VAL 10 N 0.84 0.34 -0.34 2.29 3.04 -1.94 0.44 116.25 120.91 1h1j h VAL 10 Ca -0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.15 1h1j h VAL 10 Cb 1.21 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1h1j h VAL 10 CO 0.58 0.00 -0.05 0.58 -1.01 0.00 0.00 177.57 177.68 1h1j h VAL 11 N 0.00 1.27 -0.12 1.51 2.07 -1.98 -1.30 116.25 117.70 1h1j h VAL 11 Ca 0.43 -1.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 1h1j h VAL 11 Cb 1.97 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1h1j h VAL 11 CO -0.00 0.35 -0.35 1.56 0.02 0.00 0.00 177.57 179.15 1h1j h GLN 12 N 0.44 0.45 -0.70 1.57 1.08 -0.50 0.13 115.11 117.58 1h1j h GLN 12 Ca 0.09 -0.32 0.07 0.00 -1.45 0.00 0.00 58.65 57.04 1h1j h GLN 12 Cb 0.53 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.95 1h1j h GLN 12 CO 0.03 0.94 0.38 -0.07 -0.95 0.00 0.00 178.83 179.16 1h1j h LEU 13 N 0.04 0.55 -1.04 1.46 4.07 -1.28 0.20 115.31 119.31 1h1j h LEU 13 Ca -0.01 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.89 1h1j h LEU 13 Cb 0.96 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 1h1j h LEU 13 CO 0.07 0.34 -0.42 0.50 -1.08 0.00 0.00 178.44 177.85 1h1j h LYS 14 N 0.68 0.13 -0.00 1.13 3.64 -1.17 -1.73 116.57 119.24 1h1j h LYS 14 Ca 0.33 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1h1j h LYS 14 Cb 0.26 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1h1j h LYS 14 CO -0.21 0.53 -0.00 0.22 -2.27 0.00 0.00 179.45 177.71 1h1j h ASP 15 N 0.11 0.01 -0.35 4.20 3.58 0.14 0.44 116.42 124.55 1h1j h ASP 15 Ca 0.01 -0.49 -0.06 0.00 0.42 0.00 0.00 57.03 56.91 1h1j h ASP 15 Cb 0.79 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1h1j h ASP 15 CO 0.06 0.49 -0.02 0.17 -2.88 0.00 0.00 179.24 177.06 1h1j h LEU 16 N -0.48 0.62 -0.93 2.28 -0.00 -0.80 -1.42 115.31 114.59 1h1j h LEU 16 Ca 0.00 -0.32 -0.06 0.00 -0.00 0.00 0.00 57.88 57.50 1h1j h LEU 16 Cb 0.49 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 1h1j h LEU 16 CO 0.00 0.79 0.15 -0.07 -0.00 0.00 0.00 178.44 179.31 1h1j h LEU 17 N 0.43 0.88 -0.51 0.17 3.38 -1.37 0.49 115.31 118.78 1h1j h LEU 17 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1h1j h LEU 17 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1h1j h LEU 17 CO 0.02 0.85 0.28 0.74 0.09 0.00 0.00 178.44 180.43 1h1j h THR 18 N 0.90 1.17 0.00 0.22 2.02 -0.68 0.04 112.91 116.59 1h1j h THR 18 Ca 0.19 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1h1j h THR 18 Cb 0.32 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1h1j h THR 18 CO -0.00 0.19 0.00 1.17 0.37 0.00 0.00 175.52 177.24 1h1j n LYS 19 N -4.65 0.19 -0.14 6.66 4.81 -0.55 -2.95 118.16 121.53 1h1j n LYS 19 Ca 0.02 0.20 0.06 0.00 -0.87 0.00 0.00 58.31 57.73 1h1j n LYS 19 Cb 0.08 -1.74 0.20 0.00 0.02 0.00 0.00 35.03 33.59 1h1j n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1h1j n ARG 20 N -2.07 1.69 -1.39 1.64 1.74 0.17 -4.84 116.66 113.60 1h1j n ARG 20 Ca 0.05 -1.07 -0.13 0.00 -0.77 0.00 0.00 57.85 55.93 1h1j n ARG 20 Cb 0.37 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 1h1j n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1h1j n ASN 21 N 0.34 -5.07 -3.49 0.55 5.15 -1.10 -4.92 115.26 106.73 1h1j n ASN 21 Ca 0.12 0.33 -0.15 0.00 -0.60 0.00 0.00 54.58 54.28 1h1j n ASN 21 Cb 0.27 -3.73 -0.12 0.00 -0.53 0.00 0.00 39.78 35.67 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 -3.02 -0.29 0.85 1.20 1.98 -0.12 -5.04 118.68 114.25 1h1j s LEU 22 Ca 0.00 0.06 -0.11 0.00 -2.89 0.00 0.00 54.13 51.19 1h1j s LEU 22 Cb 0.00 0.64 0.14 0.00 0.66 0.00 0.00 46.19 47.64 1h1j s LEU 22 CO 0.00 -0.30 1.19 -0.44 -1.89 0.00 0.00 176.35 174.91 1h1j s SER 23 N 2.40 3.86 -0.31 3.68 0.01 -1.23 -3.50 113.70 118.62 1h1j s SER 23 Ca 0.07 0.31 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 1h1j s SER 23 Cb -0.15 -0.59 0.03 0.00 0.21 0.00 0.00 66.02 65.52 1h1j s SER 23 CO -0.12 -2.25 0.06 0.68 0.41 0.00 0.00 173.24 172.01 1h1j s VAL 24 N -3.61 3.57 -0.29 3.43 -7.23 -1.26 -4.94 120.40 110.06 1h1j s VAL 24 Ca 0.68 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 59.72 1h1j s VAL 24 Cb -0.07 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 1h1j s VAL 24 CO 0.50 -0.04 0.12 -0.83 -0.31 0.00 0.00 175.10 174.53 1h1j s GLY 25 N 1.39 1.83 0.00 2.32 0.00 -1.26 -4.92 107.32 106.68 1h1j s GLY 25 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1h1j s GLY 25 CO 0.01 0.65 0.00 0.61 0.00 0.00 0.00 173.10 174.37 1h1j n GLY 26 N 4.95 1.87 3.44 0.20 0.00 -1.26 -4.75 105.19 109.64 1h1j n GLY 26 Ca -0.14 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 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 0.00 -0.35 0.21 0.99 2.34 -1.26 -4.37 118.68 116.24 1h1j s LEU 27 Ca 0.00 0.62 -0.10 0.00 0.06 0.00 0.00 54.13 54.71 1h1j s LEU 27 Cb 0.00 -2.13 0.29 0.00 -0.56 0.00 0.00 46.19 43.79 1h1j s LEU 27 CO 0.00 -4.89 1.70 0.11 -1.06 0.00 0.00 176.35 172.21 1h1j h LYS 28 N -3.11 0.24 -0.72 1.48 1.79 -2.00 0.29 116.57 114.55 1h1j h LYS 28 Ca -0.41 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 57.98 1h1j h LYS 28 Cb 1.31 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.88 1h1j h LYS 28 CO 0.27 0.16 0.20 -0.91 -1.08 0.00 0.00 179.45 178.08 1h1j h ASN 29 N 0.24 1.06 -0.99 0.86 4.21 -1.99 -0.35 115.58 118.63 1h1j h ASN 29 Ca 0.31 -0.22 0.03 0.00 1.21 0.00 0.00 56.30 57.63 1h1j h ASN 29 Cb 0.46 -0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.33 1h1j h ASN 29 CO -0.41 1.01 0.65 -0.33 -1.29 0.00 0.00 177.43 177.06 1h1j h GLU 30 N 1.07 1.22 -0.21 0.81 4.39 -1.23 0.46 114.58 121.09 1h1j h GLU 30 Ca 0.23 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1h1j h GLU 30 Cb 0.34 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1h1j h GLU 30 CO -0.00 0.81 0.13 -0.07 -1.16 0.00 0.00 179.01 178.72 1h1j h LEU 31 N 1.26 0.25 -0.56 1.33 -0.00 0.34 0.41 115.31 118.35 1h1j h LEU 31 Ca 0.39 -0.04 0.02 0.00 -0.00 0.00 0.00 57.88 58.24 1h1j h LEU 31 Cb -0.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 1h1j h LEU 31 CO -0.12 0.22 0.35 0.58 -0.00 0.00 0.00 178.44 179.48 1h1j h VAL 32 N 0.26 1.09 -0.37 1.22 2.07 0.34 -1.42 116.25 119.44 1h1j h VAL 32 Ca 0.08 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1h1j h VAL 32 Cb 0.01 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1h1j h VAL 32 CO -0.01 0.13 -0.17 1.56 0.02 0.00 0.00 177.57 179.09 1h1j h GLN 33 N 0.70 0.69 -0.40 1.57 4.20 0.38 -1.86 115.11 120.39 1h1j h GLN 33 Ca 0.22 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1h1j h GLN 33 Cb -0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1h1j h GLN 33 CO -0.08 0.82 0.05 -0.09 -0.67 0.00 0.00 178.83 178.87 1h1j h ARG 34 N 0.62 0.68 -0.07 1.46 2.43 0.47 0.51 114.38 120.48 1h1j h ARG 34 Ca 0.10 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1h1j h ARG 34 Cb 0.64 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1h1j h ARG 34 CO 0.04 0.73 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.13 1h1j h LEU 35 N 0.52 0.15 -0.15 3.80 3.38 -1.15 -0.02 115.31 121.84 1h1j h LEU 35 Ca 0.12 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 1h1j h LEU 35 Cb 0.39 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1h1j h LEU 35 CO 0.01 0.55 -0.25 0.40 0.09 0.00 0.00 178.44 179.25 1h1j h ILE 36 N -0.25 1.36 -0.52 1.22 2.04 -1.34 0.48 117.51 120.49 1h1j h ILE 36 Ca 0.01 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 1h1j h ILE 36 Cb 0.50 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1h1j h ILE 36 CO 0.01 0.44 0.25 0.50 0.00 0.00 0.00 178.15 179.35 1h1j h LYS 37 N 0.06 0.75 -0.16 2.37 3.64 -0.04 0.63 116.57 123.81 1h1j h LYS 37 Ca 0.01 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 1h1j h LYS 37 Cb 0.83 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1h1j h LYS 37 CO 0.06 0.63 -0.57 0.22 -2.27 0.00 0.00 179.45 177.51 1h1j h ASP 38 N 0.70 0.56 -0.12 4.20 3.58 -0.98 -2.48 116.42 121.88 1h1j h ASP 38 Ca 0.18 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.20 1h1j h ASP 38 Cb 0.12 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1h1j h ASP 38 CO -0.02 1.01 -0.40 -0.78 -2.88 0.00 0.00 179.24 176.16 1h1j h ASP 39 N 0.38 0.56 -0.56 2.28 3.58 0.39 -1.49 116.42 121.55 1h1j h ASP 39 Ca 0.00 -0.61 -0.02 0.00 0.42 0.00 0.00 57.03 56.82 1h1j h ASP 39 Cb 1.11 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.97 1h1j h ASP 39 CO 0.10 1.07 0.27 -0.33 -2.88 0.00 0.00 179.24 177.48 1h1j h GLU 40 N 0.08 0.81 0.51 0.28 4.39 0.23 -3.26 114.58 117.62 1h1j h GLU 40 Ca -0.02 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1h1j h GLU 40 Cb 1.03 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1h1j h GLU 40 CO 0.09 0.66 -0.24 1.49 -1.16 0.00 0.00 179.01 179.85 1h1j h GLU 41 N 0.76 -0.65 -5.90 2.33 4.81 -1.48 -3.40 114.58 111.05 1h1j h GLU 41 Ca 0.19 0.04 -0.50 0.00 -0.13 0.00 0.00 59.36 58.97 1h1j h GLU 41 Cb 0.12 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1h1j h GLU 41 CO -0.02 -0.44 1.44 0.45 -0.73 0.00 0.00 179.01 179.71 1h1j s SER 42 N -4.49 5.09 -0.30 1.04 0.15 -0.56 -4.82 113.70 109.81 1h1j s SER 42 Ca -0.10 0.81 -0.17 0.00 0.70 0.00 0.00 55.95 57.20 1h1j s SER 42 Cb 0.01 -2.52 0.18 0.00 -1.71 0.00 0.00 66.02 61.98 1h1j s SER 42 CO 0.30 -2.43 1.20 -0.54 1.20 0.00 0.00 173.24 172.97 1h1j s LYS 43 N 7.21 0.04 0.00 5.44 -0.14 -1.26 -4.76 119.74 126.26 1h1j s LYS 43 Ca 0.81 0.05 0.11 0.00 -1.36 0.00 0.00 55.97 55.58 1h1j s LYS 43 Cb -0.17 0.03 0.65 0.00 -1.68 0.00 0.00 37.83 36.66 1h1j s LYS 43 CO 0.25 -0.05 1.09 0.41 -0.76 0.00 0.00 175.35 176.29