#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 -1.34 0.00 1.61 3.41 -1.26 -5.15 113.62 110.89 1h1j n SER 2 Ca 0.00 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1h1j n SER 2 Cb 0.00 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.60 0.00 -2.00 7.33 0.00 -1.26 -5.10 120.51 118.88 1h1j n ALA 3 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1h1j n ALA 3 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 0.00 0.00 -0.16 0.00 5.68 -1.26 -4.83 116.55 115.98 1h1j n ASP 4 Ca 0.00 0.00 0.28 0.00 -0.50 0.00 0.00 54.79 54.57 1h1j n ASP 4 Cb 0.00 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 40.70 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 -3.34 116.97 113.83 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 -4.10 0.00 -2.70 3.88 2.88 -1.26 -1.52 113.62 110.80 1h1j n SER 6 Ca 0.18 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.66 1h1j n SER 6 Cb 0.98 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.54 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 -0.95 -0.78 -4.74 -3.46 3.41 -1.25 -4.97 113.62 100.87 1h1j n SER 7 Ca 0.00 -2.44 -0.30 0.00 -0.26 0.00 0.00 58.87 55.87 1h1j n SER 7 Cb 0.00 0.48 0.12 0.00 -0.26 0.00 0.00 64.21 64.55 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 -3.39 2.54 0.62 1.04 1.43 -0.57 -4.99 118.68 115.36 1h1j s LEU 8 Ca 0.21 1.59 -0.14 0.00 -1.03 0.00 0.00 54.13 54.76 1h1j s LEU 8 Cb 0.42 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1h1j s LEU 8 CO -0.06 -2.40 1.05 -0.89 0.23 0.00 0.00 176.35 174.28 1h1j s THR 9 N -2.93 3.97 0.57 5.49 2.01 -1.26 -4.69 115.64 118.80 1h1j s THR 9 Ca 0.62 0.83 0.31 0.00 0.31 0.00 0.00 61.69 63.77 1h1j s THR 9 Cb -0.17 -3.43 0.45 0.00 0.01 0.00 0.00 72.50 69.35 1h1j s THR 9 CO 0.56 -0.65 1.79 1.62 -0.69 0.00 0.00 174.62 177.25 1h1j h VAL 10 N 0.10 0.35 -0.33 3.82 3.04 -1.94 0.35 116.25 121.64 1h1j h VAL 10 Ca -0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.16 1h1j h VAL 10 Cb 1.21 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 1h1j h VAL 10 CO 0.58 0.00 -0.06 0.58 -1.01 0.00 0.00 177.57 177.65 1h1j h VAL 11 N 0.00 1.28 -0.12 1.51 2.07 -1.98 -1.13 116.25 117.88 1h1j h VAL 11 Ca 0.39 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 1h1j h VAL 11 Cb 1.83 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1h1j h VAL 11 CO -0.00 0.36 -0.33 1.56 0.02 0.00 0.00 177.57 179.17 1h1j h GLN 12 N 0.40 0.43 -0.72 1.57 1.08 -0.67 0.02 115.11 117.22 1h1j h GLN 12 Ca 0.08 -0.31 0.07 0.00 -1.45 0.00 0.00 58.65 57.05 1h1j h GLN 12 Cb 0.55 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 1h1j h GLN 12 CO 0.03 0.93 0.41 -0.07 -0.95 0.00 0.00 178.83 179.17 1h1j h LEU 13 N 0.01 0.59 -1.08 1.46 4.07 -1.30 0.16 115.31 119.22 1h1j h LEU 13 Ca -0.01 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.90 1h1j h LEU 13 Cb 0.95 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 1h1j h LEU 13 CO 0.07 0.37 -0.35 0.50 -1.08 0.00 0.00 178.44 177.95 1h1j h LYS 14 N 0.73 0.21 0.02 1.13 3.64 -1.13 -1.83 116.57 119.33 1h1j h LYS 14 Ca 0.33 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1h1j h LYS 14 Cb 0.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1h1j h LYS 14 CO -0.21 0.53 -0.01 0.22 -2.27 0.00 0.00 179.45 177.72 1h1j h ASP 15 N 0.18 -0.02 -0.42 4.20 3.58 0.13 0.40 116.42 124.46 1h1j h ASP 15 Ca 0.02 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.04 1h1j h ASP 15 Cb 0.70 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 1h1j h ASP 15 CO 0.05 0.40 0.19 0.17 -2.88 0.00 0.00 179.24 177.17 1h1j h LEU 16 N -0.45 0.57 -0.90 2.28 -0.00 -0.93 -1.52 115.31 114.36 1h1j h LEU 16 Ca -0.00 -0.15 -0.11 0.00 -0.00 0.00 0.00 57.88 57.62 1h1j h LEU 16 Cb 0.43 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1h1j h LEU 16 CO 0.00 0.56 -0.33 -0.07 -0.00 0.00 0.00 178.44 178.60 1h1j h LEU 17 N 0.54 0.42 -0.47 0.17 3.38 -1.34 0.44 115.31 118.45 1h1j h LEU 17 Ca 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h1j h LEU 17 Cb 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1h1j h LEU 17 CO -0.02 0.73 0.31 0.74 0.09 0.00 0.00 178.44 180.30 1h1j h THR 18 N 0.35 1.12 0.00 0.22 2.02 0.19 -0.58 112.91 116.24 1h1j h THR 18 Ca 0.04 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1h1j h THR 18 Cb 0.75 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1h1j h THR 18 CO 0.06 0.12 0.00 1.17 0.37 0.00 0.00 175.52 177.24 1h1j n LYS 19 N -4.76 0.25 0.00 6.66 4.81 -0.61 -3.05 118.16 121.46 1h1j n LYS 19 Ca 0.02 0.23 0.14 0.00 -0.87 0.00 0.00 58.31 57.83 1h1j n LYS 19 Cb 0.02 -1.81 0.52 0.00 0.02 0.00 0.00 35.03 33.79 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 -2.24 0.95 -1.36 1.64 1.74 0.15 -4.89 116.66 112.65 1h1j n ARG 20 Ca 0.05 -0.46 -0.09 0.00 -0.77 0.00 0.00 57.85 56.58 1h1j n ARG 20 Cb 0.41 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.62 -4.04 -3.31 0.55 4.05 -0.67 -4.94 115.26 106.28 1h1j n ASN 21 Ca 0.15 0.21 -0.19 0.00 0.45 0.00 0.00 54.58 55.20 1h1j n ASN 21 Cb 0.31 -2.46 -0.08 0.00 1.23 0.00 0.00 39.78 38.78 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1h1j s LEU 22 N -2.19 0.21 0.00 1.20 1.98 -0.49 -5.05 118.68 114.34 1h1j s LEU 22 Ca 0.00 -2.01 -0.04 0.00 -2.89 0.00 0.00 54.13 49.19 1h1j s LEU 22 Cb 0.00 0.40 0.07 0.00 0.66 0.00 0.00 46.19 47.31 1h1j s LEU 22 CO 0.00 -0.22 0.15 -1.20 -1.89 0.00 0.00 176.35 173.20 1h1j n SER 23 N 3.74 -1.72 -4.68 3.68 7.64 -1.24 -4.43 113.62 116.61 1h1j n SER 23 Ca 0.16 -0.16 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1h1j n SER 23 Cb 0.46 -0.28 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.07 3.89 0.00 0.44 -7.23 -1.26 -4.90 120.40 110.27 1h1j s VAL 24 Ca 0.12 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1h1j s VAL 24 Cb -0.02 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1h1j s VAL 24 CO 0.10 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 1h1j n GLY 25 N 0.26 0.00 2.08 2.32 0.00 -1.26 -4.93 105.19 103.66 1h1j n GLY 25 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.83 3.71 -0.02 0.00 -1.26 -4.96 105.19 100.83 1h1j n GLY 26 Ca 0.00 0.41 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.86 3.19 0.23 0.99 2.01 -1.26 -4.70 118.68 113.28 1h1j s LEU 27 Ca 0.00 2.32 -0.07 0.00 0.01 0.00 0.00 54.13 56.39 1h1j s LEU 27 Cb 0.00 -4.58 0.36 0.00 0.01 0.00 0.00 46.19 41.97 1h1j s LEU 27 CO 0.00 -2.48 1.77 0.50 1.01 0.00 0.00 176.35 177.14 1h1j h LYS 28 N -0.71 0.54 -0.51 1.70 1.63 -2.00 0.22 116.57 117.44 1h1j h LYS 28 Ca -0.46 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.21 1h1j h LYS 28 Cb 1.29 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 1h1j h LYS 28 CO 0.48 0.36 -0.06 -0.91 -3.45 0.00 0.00 179.45 175.86 1h1j h ASN 29 N 0.56 0.94 -0.85 4.20 4.21 -1.99 -1.56 115.58 121.09 1h1j h ASN 29 Ca 0.36 -0.34 0.10 0.00 1.21 0.00 0.00 56.30 57.63 1h1j h ASN 29 Cb 0.42 -0.25 -0.06 0.00 -1.12 0.00 0.00 38.32 37.31 1h1j h ASN 29 CO -0.30 1.05 0.55 -0.33 -1.29 0.00 0.00 177.43 177.12 1h1j h GLU 30 N 0.80 0.78 -0.10 0.81 4.39 -1.21 0.45 114.58 120.51 1h1j h GLU 30 Ca 0.14 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1h1j h GLU 30 Cb 0.61 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1h1j h GLU 30 CO 0.04 0.52 0.01 -0.07 -1.16 0.00 0.00 179.01 178.35 1h1j h LEU 31 N 0.80 0.16 -0.67 1.33 -0.00 -0.06 0.32 115.31 117.19 1h1j h LEU 31 Ca 0.40 -0.28 0.06 0.00 -0.00 0.00 0.00 57.88 58.06 1h1j h LEU 31 Cb 0.45 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.01 1h1j h LEU 31 CO -0.16 0.40 0.37 1.62 -0.00 0.00 0.00 178.44 180.66 1h1j h VAL 32 N -0.08 0.96 -0.44 1.22 3.04 -0.05 -1.22 116.25 119.68 1h1j h VAL 32 Ca 0.03 -0.23 -0.11 0.00 -1.01 0.00 0.00 66.70 65.38 1h1j h VAL 32 Cb 0.31 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 29.79 1h1j h VAL 32 CO 0.00 0.12 -0.17 1.56 -1.01 0.00 0.00 177.57 178.08 1h1j h GLN 33 N 0.68 0.84 -0.33 4.17 4.20 0.11 -1.78 115.11 123.01 1h1j h GLN 33 Ca 0.30 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1h1j h GLN 33 Cb 0.20 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1h1j h GLN 33 CO -0.19 0.95 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.80 1h1j h ARG 34 N 0.74 0.61 -0.07 1.46 2.43 0.56 0.40 114.38 120.51 1h1j h ARG 34 Ca 0.11 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1h1j h ARG 34 Cb 0.69 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1h1j h ARG 34 CO 0.05 0.75 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.12 1h1j h LEU 35 N 0.40 0.19 -0.29 3.80 3.38 -1.23 0.34 115.31 121.90 1h1j h LEU 35 Ca 0.09 -0.50 -0.17 0.00 0.09 0.00 0.00 57.88 57.40 1h1j h LEU 35 Cb 0.50 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1h1j h LEU 35 CO 0.02 0.65 -0.47 0.40 0.09 0.00 0.00 178.44 179.13 1h1j h ILE 36 N -0.27 1.29 -0.37 1.22 2.04 -1.36 0.39 117.51 120.46 1h1j h ILE 36 Ca 0.01 -1.66 -0.14 0.00 1.00 0.00 0.00 64.86 64.08 1h1j h ILE 36 Cb 0.60 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1h1j h ILE 36 CO 0.02 0.54 -0.30 0.50 0.00 0.00 0.00 178.15 178.91 1h1j h LYS 37 N 0.59 0.86 -0.16 2.37 3.11 -0.25 -0.04 116.57 123.05 1h1j h LYS 37 Ca 0.02 -0.43 -0.17 0.00 -2.81 0.00 0.00 60.65 57.26 1h1j h LYS 37 Cb 1.07 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1h1j h LYS 37 CO 0.11 1.07 -0.62 -0.44 -2.81 0.00 0.00 179.45 176.76 1h1j h ASP 38 N 0.66 0.63 -0.14 4.20 5.19 -0.89 -2.74 116.42 123.32 1h1j h ASP 38 Ca 0.07 -0.36 -0.10 0.00 -0.62 0.00 0.00 57.03 56.02 1h1j h ASP 38 Cb 0.88 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1h1j h ASP 38 CO 0.08 1.09 -0.30 -0.78 -3.12 0.00 0.00 179.24 176.21 1h1j h ASP 39 N 0.41 0.51 -0.04 6.45 3.58 -0.12 -3.13 116.42 124.07 1h1j h ASP 39 Ca -0.01 -0.57 -0.03 0.00 0.42 0.00 0.00 57.03 56.85 1h1j h ASP 39 Cb 1.18 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 1h1j h ASP 39 CO 0.11 0.98 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.33 1h1j h GLU 40 N 0.05 0.22 -5.38 0.28 4.22 -1.04 -3.39 114.58 109.54 1h1j h GLU 40 Ca 0.00 -0.03 -0.63 0.00 0.08 0.00 0.00 59.36 58.78 1h1j h GLU 40 Cb 0.90 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.98 1h1j h GLU 40 CO 0.07 0.28 0.04 -2.00 -2.18 0.00 0.00 179.01 175.21 1h1j s GLU 41 N -4.91 3.86 0.12 1.92 2.12 -1.04 -4.91 118.70 115.86 1h1j s GLU 41 Ca -0.06 0.15 0.23 0.00 0.36 0.00 0.00 54.97 55.66 1h1j s GLU 41 Cb 0.16 -3.73 0.16 0.00 0.26 0.00 0.00 34.13 30.98 1h1j s GLU 41 CO 0.72 -0.54 1.15 -1.13 -0.54 0.00 0.00 175.26 174.92 1h1j n SER 42 N 5.75 0.71 -4.96 -1.70 3.41 -1.26 -4.85 113.62 110.72 1h1j n SER 42 Ca -0.03 0.10 -0.22 0.00 -0.26 0.00 0.00 58.87 58.45 1h1j n SER 42 Cb 0.49 0.43 0.02 0.00 -0.26 0.00 0.00 64.21 64.89 1h1j n SER 42 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1h1j s LYS 43 N -3.24 2.91 0.00 4.33 2.20 -1.26 -5.18 119.74 119.50 1h1j s LYS 43 Ca 0.03 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1h1j s LYS 43 Cb 0.12 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1h1j s LYS 43 CO 0.76 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.75