#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 3.84 -3.54 1.61 3.41 -1.26 -4.95 113.62 112.73 1h1j n SER 2 Ca 0.00 -0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.31 1h1j n SER 2 Cb 0.00 0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 64.08 1h1j n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h1j s ALA 3 N -2.10 0.76 0.00 7.33 0.00 -1.26 -5.03 121.76 121.46 1h1j s ALA 3 Ca -0.04 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1h1j s ALA 3 Cb 0.01 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1h1j s ALA 3 CO 0.14 -1.74 0.00 -0.40 0.00 0.00 0.00 175.76 173.76 1h1j n ASP 4 N 4.98 0.00 -0.27 0.00 5.68 -1.26 -4.88 116.55 120.80 1h1j n ASP 4 Ca -0.02 0.00 0.28 0.00 -0.50 0.00 0.00 54.79 54.55 1h1j n ASP 4 Cb 0.41 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.05 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 0.22 0.00 2.11 0.05 -1.95 -3.36 116.97 114.04 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 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.68 1h1j h TYR 5 CO 0.00 0.03 0.00 0.45 -1.05 0.00 0.00 178.16 177.59 1h1j n SER 6 N -4.35 0.00 -2.84 3.88 2.88 -1.26 -1.41 113.62 110.52 1h1j n SER 6 Ca 0.23 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1h1j n SER 6 Cb 1.01 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.53 1h1j n SER 6 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1h1j n SER 7 N 0.00 -0.90 -4.17 -3.46 2.88 -1.26 -4.91 113.62 101.80 1h1j n SER 7 Ca 0.00 -3.15 -0.30 0.00 -1.33 0.00 0.00 58.87 54.09 1h1j n SER 7 Cb 0.00 0.74 0.21 0.00 -0.75 0.00 0.00 64.21 64.41 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 -2.60 1.34 0.31 2.46 1.43 -0.50 -4.98 118.68 116.14 1h1j s LEU 8 Ca 0.28 0.73 -0.27 0.00 -1.03 0.00 0.00 54.13 53.83 1h1j s LEU 8 Cb 0.35 -2.67 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 1h1j s LEU 8 CO -0.05 -3.52 1.02 -0.89 0.23 0.00 0.00 176.35 173.13 1h1j s THR 9 N -3.17 3.83 0.39 5.49 2.01 -1.26 -4.77 115.64 118.16 1h1j s THR 9 Ca 0.69 1.65 0.17 0.00 0.31 0.00 0.00 61.69 64.52 1h1j s THR 9 Cb -0.11 -3.98 0.38 0.00 0.01 0.00 0.00 72.50 68.80 1h1j s THR 9 CO 0.55 0.25 1.77 0.58 -0.69 0.00 0.00 174.62 177.08 1h1j h VAL 10 N 2.77 0.53 -0.29 3.82 2.07 -1.94 0.34 116.25 123.55 1h1j h VAL 10 Ca -0.47 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1h1j h VAL 10 Cb 1.21 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1h1j h VAL 10 CO 0.66 0.08 0.06 1.62 0.02 0.00 0.00 177.57 180.00 1h1j h VAL 11 N 0.43 1.22 -0.09 2.57 3.04 -1.99 -1.37 116.25 120.06 1h1j h VAL 11 Ca 0.60 -0.75 -0.18 0.00 -1.01 0.00 0.00 66.70 65.36 1h1j h VAL 11 Cb 1.45 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1h1j h VAL 11 CO -0.32 0.25 -0.68 0.06 -1.01 0.00 0.00 177.57 175.86 1h1j h GLN 12 N 0.30 0.41 -0.98 4.17 -0.00 -1.16 0.53 115.11 118.39 1h1j h GLN 12 Ca 0.09 -0.31 0.04 0.00 -0.00 0.00 0.00 58.65 58.47 1h1j h GLN 12 Cb 0.31 0.06 -0.06 0.00 -0.00 0.00 0.00 27.48 27.79 1h1j h GLN 12 CO 0.00 0.94 0.64 -0.07 -0.00 0.00 0.00 178.83 180.34 1h1j h LEU 13 N 0.29 1.05 -0.91 0.06 4.07 -0.34 0.35 115.31 119.88 1h1j h LEU 13 Ca -0.02 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 1h1j h LEU 13 Cb 1.25 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 1h1j h LEU 13 CO 0.12 0.71 -0.52 0.11 -1.08 0.00 0.00 178.44 177.77 1h1j h LYS 14 N 1.21 0.07 -0.01 1.13 1.57 -0.90 -2.06 116.57 117.57 1h1j h LYS 14 Ca 0.40 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1h1j h LYS 14 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1h1j h LYS 14 CO -0.13 0.58 0.00 0.22 -0.57 0.00 0.00 179.45 179.55 1h1j h ASP 15 N 0.06 0.02 -0.31 0.86 3.58 0.19 0.57 116.42 121.40 1h1j h ASP 15 Ca -0.00 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.17 1h1j h ASP 15 Cb 0.94 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1h1j h ASP 15 CO 0.07 0.24 -0.03 0.17 -2.88 0.00 0.00 179.24 176.81 1h1j h LEU 16 N -0.20 0.56 -0.97 2.28 -0.00 -1.06 -1.14 115.31 114.78 1h1j h LEU 16 Ca 0.00 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.88 57.49 1h1j h LEU 16 Cb 0.23 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 1h1j h LEU 16 CO 0.00 0.76 0.11 -0.07 -0.00 0.00 0.00 178.44 179.24 1h1j h LEU 17 N 0.34 0.81 -0.58 0.17 3.38 -1.33 0.40 115.31 118.51 1h1j h LEU 17 Ca 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1h1j h LEU 17 Cb 0.49 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1h1j h LEU 17 CO 0.02 0.81 0.33 0.74 0.09 0.00 0.00 178.44 180.43 1h1j h THR 18 N 0.83 1.18 0.00 0.22 2.02 0.40 0.17 112.91 117.74 1h1j h THR 18 Ca 0.18 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1h1j h THR 18 Cb 0.33 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1h1j h THR 18 CO 0.00 0.20 0.00 0.29 0.37 0.00 0.00 175.52 176.38 1h1j n LYS 19 N -4.60 0.22 -0.12 6.66 5.02 -0.45 -2.91 118.16 121.98 1h1j n LYS 19 Ca 0.04 0.23 0.07 0.00 -2.02 0.00 0.00 58.31 56.62 1h1j n LYS 19 Cb 0.08 -1.78 0.23 0.00 -0.02 0.00 0.00 35.03 33.54 1h1j n LYS 19 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1h1j n ARG 20 N -2.17 1.65 -1.42 1.97 1.74 0.13 -4.84 116.66 113.72 1h1j n ARG 20 Ca 0.05 -1.00 -0.15 0.00 -0.77 0.00 0.00 57.85 55.99 1h1j n ARG 20 Cb 0.38 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 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 0.27 -4.93 -3.49 0.55 2.85 -1.09 -4.93 115.26 104.49 1h1j n ASN 21 Ca 0.12 0.36 -0.12 0.00 -0.11 0.00 0.00 54.58 54.83 1h1j n ASN 21 Cb 0.26 -3.72 -0.10 0.00 1.24 0.00 0.00 39.78 37.46 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 -3.32 -0.43 0.83 1.20 1.98 -0.08 -5.04 118.68 113.80 1h1j s LEU 22 Ca 0.00 0.29 -0.10 0.00 -2.89 0.00 0.00 54.13 51.43 1h1j s LEU 22 Cb 0.00 0.88 0.13 0.00 0.66 0.00 0.00 46.19 47.86 1h1j s LEU 22 CO 0.00 -0.28 1.16 -0.44 -1.89 0.00 0.00 176.35 174.89 1h1j s SER 23 N 2.47 3.98 -0.44 3.68 0.01 -1.24 -3.43 113.70 118.74 1h1j s SER 23 Ca 0.07 0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.54 1h1j s SER 23 Cb -0.14 -0.57 0.12 0.00 0.21 0.00 0.00 66.02 65.63 1h1j s SER 23 CO -0.13 -2.16 0.25 0.68 0.41 0.00 0.00 173.24 172.29 1h1j s VAL 24 N -3.53 3.46 -0.17 3.43 -7.23 -1.26 -4.94 120.40 110.16 1h1j s VAL 24 Ca 0.67 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.59 1h1j s VAL 24 Cb -0.07 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 1h1j s VAL 24 CO 0.49 -0.72 0.34 -0.83 -0.31 0.00 0.00 175.10 174.06 1h1j s GLY 25 N 1.85 2.19 0.00 2.32 0.00 -1.26 -4.84 107.32 107.58 1h1j s GLY 25 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1h1j s GLY 25 CO -0.04 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.24 1h1j n GLY 26 N 3.55 0.83 3.89 0.20 0.00 -1.26 -4.73 105.19 107.67 1h1j n GLY 26 Ca -0.10 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 2.47 0.25 0.99 1.43 -1.26 -4.67 118.68 117.90 1h1j s LEU 27 Ca 0.00 0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1h1j s LEU 27 Cb 0.00 -2.14 0.50 0.00 0.03 0.00 0.00 46.19 44.58 1h1j s LEU 27 CO 0.00 -3.06 1.74 0.50 0.23 0.00 0.00 176.35 175.76 1h1j h LYS 28 N -1.87 0.50 -0.67 1.70 1.63 -1.99 0.26 116.57 116.13 1h1j h LYS 28 Ca -0.44 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.29 1h1j h LYS 28 Cb 1.23 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.71 1h1j h LYS 28 CO 0.32 0.33 0.24 -0.91 -3.45 0.00 0.00 179.45 175.99 1h1j h ASN 29 N 0.52 0.94 -0.79 4.20 2.35 -1.99 -1.25 115.58 119.55 1h1j h ASN 29 Ca 0.44 -0.19 0.08 0.00 -0.55 0.00 0.00 56.30 56.09 1h1j h ASN 29 Cb 0.65 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 1h1j h ASN 29 CO -0.39 0.87 0.52 -0.33 -1.65 0.00 0.00 177.43 176.45 1h1j h GLU 30 N 0.95 0.75 -0.18 0.81 4.39 -0.89 0.46 114.58 120.88 1h1j h GLU 30 Ca 0.22 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1h1j h GLU 30 Cb 0.24 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1h1j h GLU 30 CO -0.01 0.50 0.06 -0.07 -1.16 0.00 0.00 179.01 178.32 1h1j h LEU 31 N 0.77 0.26 -0.48 1.33 -0.00 0.10 0.42 115.31 117.70 1h1j h LEU 31 Ca 0.36 -0.20 0.01 0.00 -0.00 0.00 0.00 57.88 58.04 1h1j h LEU 31 Cb 0.37 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.94 1h1j h LEU 31 CO -0.13 0.39 0.32 1.62 -0.00 0.00 0.00 178.44 180.63 1h1j h VAL 32 N 0.11 1.11 -0.32 1.22 3.04 0.01 -1.41 116.25 120.02 1h1j h VAL 32 Ca 0.06 -0.22 -0.10 0.00 -1.01 0.00 0.00 66.70 65.43 1h1j h VAL 32 Cb 0.22 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 1h1j h VAL 32 CO -0.00 0.12 -0.20 1.56 -1.01 0.00 0.00 177.57 178.03 1h1j h GLN 33 N 0.64 0.60 -0.22 4.17 4.20 0.10 -1.75 115.11 122.85 1h1j h GLN 33 Ca 0.18 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1h1j h GLN 33 Cb -0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1h1j h GLN 33 CO -0.05 0.77 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.66 1h1j h ARG 34 N 0.54 0.47 -0.11 1.46 2.43 0.37 0.45 114.38 119.98 1h1j h ARG 34 Ca 0.08 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1h1j h ARG 34 Cb 0.65 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1h1j h ARG 34 CO 0.05 0.77 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.11 1h1j h LEU 35 N 0.17 0.28 -0.17 3.80 3.38 -1.23 0.24 115.31 121.79 1h1j h LEU 35 Ca 0.05 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1h1j h LEU 35 Cb 0.64 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1h1j h LEU 35 CO 0.04 0.69 -0.22 0.40 0.09 0.00 0.00 178.44 179.43 1h1j h ILE 36 N -0.12 1.35 -0.40 1.22 2.04 -1.36 0.28 117.51 120.52 1h1j h ILE 36 Ca 0.02 -1.43 -0.14 0.00 1.00 0.00 0.00 64.86 64.31 1h1j h ILE 36 Cb 0.60 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1h1j h ILE 36 CO 0.03 0.43 -0.29 0.50 0.00 0.00 0.00 178.15 178.81 1h1j h LYS 37 N 0.08 0.91 -0.19 2.37 3.64 -0.17 0.16 116.57 123.37 1h1j h LYS 37 Ca 0.02 -0.44 -0.14 0.00 -1.27 0.00 0.00 60.65 58.82 1h1j h LYS 37 Cb 0.79 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1h1j h LYS 37 CO 0.05 1.10 -0.41 0.22 -2.27 0.00 0.00 179.45 178.14 1h1j h ASP 38 N 0.73 0.70 0.44 4.20 3.58 -0.96 -3.17 116.42 121.94 1h1j h ASP 38 Ca 0.08 -0.56 -0.13 0.00 0.42 0.00 0.00 57.03 56.84 1h1j h ASP 38 Cb 0.88 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1h1j h ASP 38 CO 0.08 1.12 -0.57 -0.78 -2.88 0.00 0.00 179.24 176.21 1h1j h ASP 39 N 0.30 0.14 -0.64 2.28 1.82 -0.41 -3.01 116.42 116.91 1h1j h ASP 39 Ca 0.00 -0.08 0.10 0.00 -0.39 0.00 0.00 57.03 56.67 1h1j h ASP 39 Cb 1.01 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.94 1h1j h ASP 39 CO 0.09 0.68 0.43 -0.33 -1.61 0.00 0.00 179.24 178.50 1h1j h GLU 40 N 0.10 0.44 -6.52 0.28 5.08 -0.65 -3.46 114.58 109.85 1h1j h GLU 40 Ca -0.00 -0.03 -0.40 0.00 -1.00 0.00 0.00 59.36 57.93 1h1j h GLU 40 Cb 1.03 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1h1j h GLU 40 CO 0.08 0.29 -1.03 -1.91 -1.00 0.00 0.00 179.01 175.44 1h1j n GLU 41 N -4.47 -1.71 -0.88 2.33 2.13 -1.14 -4.66 120.64 112.25 1h1j n GLU 41 Ca 0.11 1.11 -0.29 0.00 0.66 0.00 0.00 57.16 58.74 1h1j n GLU 41 Cb 0.37 -2.61 -0.03 0.00 0.27 0.00 0.00 31.44 29.44 1h1j n GLU 41 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1h1j n SER 42 N -1.60 4.08 -3.68 4.31 7.64 -1.26 -4.78 113.62 118.33 1h1j n SER 42 Ca -0.20 -2.44 -0.14 0.00 1.01 0.00 0.00 58.87 57.10 1h1j n SER 42 Cb 0.67 -1.10 -0.07 0.00 -1.01 0.00 0.00 64.21 62.69 1h1j n SER 42 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1h1j s LYS 43 N 3.94 0.83 0.00 1.43 2.20 -1.26 -5.28 119.74 121.59 1h1j s LYS 43 Ca 0.45 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 1h1j s LYS 43 Cb 0.11 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 1h1j s LYS 43 CO 0.01 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.16