#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 1.05 -0.38 1.61 0.01 -1.26 -5.09 113.70 109.63 1h1j s SER 2 Ca 0.00 -0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.15 1h1j s SER 2 Cb 0.00 -0.41 0.18 0.00 0.21 0.00 0.00 66.02 66.01 1h1j s SER 2 CO 0.00 0.00 0.70 0.00 0.41 0.00 0.00 173.24 174.35 1h1j s ALA 3 N 0.56 -2.72 0.00 1.44 0.00 -1.26 -5.06 121.76 114.72 1h1j s ALA 3 Ca -0.08 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1h1j s ALA 3 Cb -0.12 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1h1j s ALA 3 CO 0.01 -2.22 0.00 -0.40 0.00 0.00 0.00 175.76 173.15 1h1j n ASP 4 N 4.43 0.00 -0.01 0.00 5.68 -1.26 -4.84 116.55 120.55 1h1j n ASP 4 Ca 0.10 0.00 0.23 0.00 -0.50 0.00 0.00 54.79 54.62 1h1j n ASP 4 Cb 0.58 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.26 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 0.00 0.00 2.11 0.05 -1.96 -3.31 116.97 113.86 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 0.45 -1.05 0.00 0.00 178.16 177.56 1h1j n SER 6 N -3.74 0.00 -2.69 3.88 2.88 -1.26 -1.62 113.62 111.07 1h1j n SER 6 Ca 0.12 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.59 1h1j n SER 6 Cb 0.82 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.38 1h1j n SER 6 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1h1j n SER 7 N -2.24 -0.93 -4.73 -3.46 3.41 -1.25 -4.94 113.62 99.48 1h1j n SER 7 Ca 0.00 -2.49 -0.29 0.00 -0.26 0.00 0.00 58.87 55.83 1h1j n SER 7 Cb 0.00 0.56 0.14 0.00 -0.26 0.00 0.00 64.21 64.65 1h1j n SER 7 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1h1j s LEU 8 N -3.28 2.17 0.62 1.04 1.43 -0.64 -4.99 118.68 115.03 1h1j s LEU 8 Ca 0.22 1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 54.55 1h1j s LEU 8 Cb 0.42 -3.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 1h1j s LEU 8 CO -0.06 -2.63 1.05 0.42 0.23 0.00 0.00 176.35 175.36 1h1j s THR 9 N -2.99 3.99 0.56 5.49 -4.23 -1.26 -4.70 115.64 112.50 1h1j s THR 9 Ca 0.63 0.83 0.32 0.00 -1.18 0.00 0.00 61.69 62.30 1h1j s THR 9 Cb -0.17 -3.44 0.47 0.00 1.34 0.00 0.00 72.50 70.69 1h1j s THR 9 CO 0.56 -0.66 1.82 1.62 -0.54 0.00 0.00 174.62 177.42 1h1j h VAL 10 N 0.08 0.40 -0.33 2.29 3.04 -1.94 0.30 116.25 120.10 1h1j h VAL 10 Ca -0.46 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.18 1h1j h VAL 10 Cb 1.21 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1h1j h VAL 10 CO 0.58 0.00 -0.01 0.58 -1.01 0.00 0.00 177.57 177.70 1h1j h VAL 11 N 0.00 1.26 -0.12 1.51 2.07 -1.99 -1.42 116.25 117.57 1h1j h VAL 11 Ca 0.41 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1h1j h VAL 11 Cb 1.80 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1h1j h VAL 11 CO -0.00 0.33 -0.33 1.56 0.02 0.00 0.00 177.57 179.14 1h1j h GLN 12 N 0.39 0.43 -0.70 1.57 1.08 -0.78 -0.40 115.11 116.70 1h1j h GLN 12 Ca 0.09 -0.31 0.07 0.00 -1.45 0.00 0.00 58.65 57.06 1h1j h GLN 12 Cb 0.47 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 1h1j h GLN 12 CO 0.02 0.93 0.38 -0.07 -0.95 0.00 0.00 178.83 179.14 1h1j h LEU 13 N 0.01 0.54 -0.97 1.46 4.07 -1.29 0.79 115.31 119.93 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 0.95 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 1h1j h LEU 13 CO 0.07 0.34 -0.36 0.50 -1.08 0.00 0.00 178.44 177.90 1h1j h LYS 14 N 0.68 0.29 0.04 1.13 3.64 -1.20 -1.89 116.57 119.25 1h1j h LYS 14 Ca 0.33 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1h1j h LYS 14 Cb 0.26 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1h1j h LYS 14 CO -0.22 0.62 -0.02 0.22 -2.27 0.00 0.00 179.45 177.79 1h1j h ASP 15 N 0.25 -0.04 -0.45 4.20 3.58 0.86 0.50 116.42 125.32 1h1j h ASP 15 Ca 0.03 -0.34 -0.03 0.00 0.42 0.00 0.00 57.03 57.11 1h1j h ASP 15 Cb 0.76 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1h1j h ASP 15 CO 0.06 0.32 0.17 0.17 -2.88 0.00 0.00 179.24 177.08 1h1j h LEU 16 N -0.41 0.62 -0.86 2.28 -0.00 -1.09 -1.55 115.31 114.31 1h1j h LEU 16 Ca -0.01 -0.18 -0.11 0.00 -0.00 0.00 0.00 57.88 57.59 1h1j h LEU 16 Cb 0.38 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 1h1j h LEU 16 CO 0.01 0.63 -0.39 -0.07 -0.00 0.00 0.00 178.44 178.62 1h1j h LEU 17 N 0.58 0.39 -0.31 0.17 3.38 -1.32 0.40 115.31 118.60 1h1j h LEU 17 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1h1j h LEU 17 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1h1j h LEU 17 CO -0.01 0.74 0.10 0.71 0.09 0.00 0.00 178.44 180.07 1h1j h THR 18 N 0.31 1.20 0.00 0.22 1.35 0.33 0.16 112.91 116.48 1h1j h THR 18 Ca 0.03 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1h1j h THR 18 Cb 0.82 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1h1j h THR 18 CO 0.07 0.22 0.00 2.29 -0.25 0.00 0.00 175.52 177.85 1h1j n LYS 19 N -4.69 0.11 -0.06 4.72 -0.00 -0.61 -2.91 118.16 114.73 1h1j n LYS 19 Ca -0.02 0.12 0.10 0.00 -0.00 0.00 0.00 58.31 58.52 1h1j n LYS 19 Cb 0.16 -1.64 0.43 0.00 -0.00 0.00 0.00 35.03 33.98 1h1j n LYS 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1h1j n ARG 20 N -1.84 1.53 -1.26 -1.58 1.74 0.14 -4.86 116.66 110.54 1h1j n ARG 20 Ca 0.06 -0.79 -0.09 0.00 -0.77 0.00 0.00 57.85 56.26 1h1j n ARG 20 Cb 0.36 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.01 -4.39 -3.51 0.55 2.85 -1.08 -4.95 115.26 104.75 1h1j n ASN 21 Ca 0.16 0.22 -0.11 0.00 -0.11 0.00 0.00 54.58 54.74 1h1j n ASN 21 Cb 0.26 -2.67 -0.10 0.00 1.24 0.00 0.00 39.78 38.51 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 -2.01 -0.51 0.00 1.20 1.98 -0.03 -5.05 118.68 114.26 1h1j s LEU 22 Ca 0.00 0.45 0.00 0.00 -2.89 0.00 0.00 54.13 51.69 1h1j s LEU 22 Cb 0.00 1.01 0.00 0.00 0.66 0.00 0.00 46.19 47.86 1h1j s LEU 22 CO 0.00 -0.27 0.00 -1.20 -1.89 0.00 0.00 176.35 172.99 1h1j n SER 23 N 5.36 -0.60 -4.70 3.68 7.64 -1.23 -3.66 113.62 120.11 1h1j n SER 23 Ca -0.06 -0.46 -0.24 0.00 1.01 0.00 0.00 58.87 59.12 1h1j n SER 23 Cb 0.50 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.77 3.82 0.00 0.44 1.01 -1.26 -4.87 120.40 118.78 1h1j s VAL 24 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1h1j s VAL 24 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1h1j s VAL 24 CO 0.00 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1h1j n GLY 25 N -0.61 -0.24 0.00 4.51 0.00 -1.26 -4.92 105.19 102.68 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 -0.59 3.43 -0.02 0.00 -1.26 -4.93 105.19 101.82 1h1j n GLY 26 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.42 0.05 0.18 0.99 2.34 -1.26 -4.58 118.68 115.98 1h1j s LEU 27 Ca 0.00 1.17 -0.14 0.00 0.06 0.00 0.00 54.13 55.22 1h1j s LEU 27 Cb 0.00 -2.88 0.14 0.00 -0.56 0.00 0.00 46.19 42.89 1h1j s LEU 27 CO 0.00 -4.63 1.74 0.11 -1.06 0.00 0.00 176.35 172.51 1h1j h LYS 28 N -2.92 0.29 -0.40 1.48 1.79 -1.99 -0.57 116.57 114.26 1h1j h LYS 28 Ca -0.54 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 57.86 1h1j h LYS 28 Cb 1.34 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 1h1j h LYS 28 CO 0.42 0.19 0.03 -0.91 -1.08 0.00 0.00 179.45 178.10 1h1j h ASN 29 N 0.30 0.66 -0.81 0.86 -0.26 -1.99 0.32 115.58 114.66 1h1j h ASN 29 Ca 0.22 -0.29 0.09 0.00 -0.56 0.00 0.00 56.30 55.76 1h1j h ASN 29 Cb 0.24 -0.18 -0.06 0.00 -1.06 0.00 0.00 38.32 37.27 1h1j h ASN 29 CO -0.24 0.78 0.53 -0.33 -1.06 0.00 0.00 177.43 177.11 1h1j h GLU 30 N 0.52 0.75 -0.10 0.81 4.39 -1.75 0.43 114.58 119.63 1h1j h GLU 30 Ca 0.12 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1h1j h GLU 30 Cb 0.43 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1h1j h GLU 30 CO 0.01 0.50 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.28 1h1j h LEU 31 N 0.77 0.18 -0.56 1.33 -0.00 -0.48 0.13 115.31 116.68 1h1j h LEU 31 Ca 0.37 -0.35 0.05 0.00 -0.00 0.00 0.00 57.88 57.95 1h1j h LEU 31 Cb 0.42 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 40.98 1h1j h LEU 31 CO -0.14 0.49 0.30 1.62 -0.00 0.00 0.00 178.44 180.70 1h1j h VAL 32 N -0.13 0.97 -0.36 1.22 3.04 0.71 -1.01 116.25 120.69 1h1j h VAL 32 Ca 0.03 -0.19 -0.10 0.00 -1.01 0.00 0.00 66.70 65.42 1h1j h VAL 32 Cb 0.40 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.02 1h1j h VAL 32 CO 0.01 0.10 -0.18 1.56 -1.01 0.00 0.00 177.57 178.05 1h1j h GLN 33 N 0.57 0.67 -0.33 4.17 4.20 -0.07 -1.86 115.11 122.45 1h1j h GLN 33 Ca 0.25 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1h1j h GLN 33 Cb 0.14 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1h1j h GLN 33 CO -0.16 0.81 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.66 1h1j h ARG 34 N 0.60 0.63 -0.10 1.46 2.43 0.22 0.44 114.38 120.06 1h1j h ARG 34 Ca 0.09 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1h1j h ARG 34 Cb 0.64 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1h1j h ARG 34 CO 0.05 0.80 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.17 1h1j h LEU 35 N 0.42 0.23 -0.43 3.80 3.38 -1.15 0.36 115.31 121.92 1h1j h LEU 35 Ca 0.09 -0.44 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 1h1j h LEU 35 Cb 0.55 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1h1j h LEU 35 CO 0.03 0.62 -0.38 0.40 0.09 0.00 0.00 178.44 179.21 1h1j h ILE 36 N -0.16 1.27 -0.30 1.22 2.04 -1.36 0.42 117.51 120.65 1h1j h ILE 36 Ca 0.02 -1.55 -0.15 0.00 1.00 0.00 0.00 64.86 64.18 1h1j h ILE 36 Cb 0.55 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1h1j h ILE 36 CO 0.02 0.52 -0.41 0.50 0.00 0.00 0.00 178.15 178.77 1h1j h LYS 37 N 0.74 0.80 -0.22 2.37 3.64 -0.13 0.14 116.57 123.90 1h1j h LYS 37 Ca 0.06 -0.47 -0.18 0.00 -1.27 0.00 0.00 60.65 58.80 1h1j h LYS 37 Cb 0.96 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1h1j h LYS 37 CO 0.09 1.10 -0.58 -0.44 -2.27 0.00 0.00 179.45 177.35 1h1j h ASP 38 N 0.57 0.81 -0.06 4.20 5.19 -0.20 -0.38 116.42 126.55 1h1j h ASP 38 Ca 0.03 -0.45 -0.09 0.00 -0.62 0.00 0.00 57.03 55.91 1h1j h ASP 38 Cb 1.01 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1h1j h ASP 38 CO 0.10 1.21 -0.31 -0.78 -3.12 0.00 0.00 179.24 176.33 1h1j h ASP 39 N 0.54 0.38 -0.05 6.45 3.58 -0.12 -3.33 116.42 123.87 1h1j h ASP 39 Ca 0.00 -0.66 -0.01 0.00 0.42 0.00 0.00 57.03 56.78 1h1j h ASP 39 Cb 1.17 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 1h1j h ASP 39 CO 0.12 0.98 -0.03 -0.33 -2.88 0.00 0.00 179.24 177.10 1h1j h GLU 40 N -0.20 0.10 -6.51 0.28 4.39 -0.78 -3.45 114.58 108.42 1h1j h GLU 40 Ca -0.02 -0.05 -0.45 0.00 0.34 0.00 0.00 59.36 59.18 1h1j h GLU 40 Cb 0.97 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1h1j h GLU 40 CO 0.06 0.50 -0.22 -2.00 -1.16 0.00 0.00 179.01 176.20 1h1j s GLU 41 N -4.48 3.05 -0.33 2.33 2.56 -0.15 -5.07 118.70 116.60 1h1j s GLU 41 Ca -0.15 -0.79 -0.06 0.00 0.00 0.00 0.00 54.97 53.97 1h1j s GLU 41 Cb 0.03 -2.69 0.23 0.00 2.00 0.00 0.00 34.13 33.70 1h1j s GLU 41 CO 0.69 -0.13 1.14 0.45 -0.56 0.00 0.00 175.26 176.85 1h1j n SER 42 N -1.87 -1.38 0.06 -1.70 2.88 -1.26 -4.53 113.62 105.82 1h1j n SER 42 Ca 0.01 -1.10 0.12 0.00 -1.33 0.00 0.00 58.87 56.57 1h1j n SER 42 Cb 0.58 0.71 0.27 0.00 -0.75 0.00 0.00 64.21 65.02 1h1j n SER 42 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1h1j n LYS 43 N 2.33 0.23 0.00 -1.46 4.76 -1.26 -5.21 118.16 117.55 1h1j n LYS 43 Ca 0.09 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1h1j n LYS 43 Cb 0.66 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44