#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 -2.29 0.00 1.61 3.41 -1.26 -5.17 113.62 109.93 1h1j n SER 2 Ca 0.00 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1h1j n SER 2 Cb 0.00 2.32 0.00 0.00 -0.26 0.00 0.00 64.21 66.27 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 -3.15 0.00 -2.00 7.33 0.00 -1.26 -5.10 120.51 116.34 1h1j n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1h1j n ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.21 0.00 5.68 -1.26 -4.82 116.55 115.94 1h1j n ASP 4 Ca 0.00 0.00 0.30 0.00 -0.50 0.00 0.00 54.79 54.59 1h1j n ASP 4 Cb 0.00 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 40.71 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 0.43 -1.05 0.00 0.00 178.16 177.54 1h1j n SER 6 N -4.16 0.00 -2.70 3.88 7.64 -1.26 -1.49 113.62 115.53 1h1j n SER 6 Ca 0.20 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.00 1h1j n SER 6 Cb 1.05 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 64.33 1h1j n SER 6 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1h1j n SER 7 N -0.92 -0.71 -4.74 6.43 3.41 -1.25 -4.94 113.62 110.90 1h1j n SER 7 Ca 0.00 -2.62 -0.29 0.00 -0.26 0.00 0.00 58.87 55.70 1h1j n SER 7 Cb 0.00 0.49 0.13 0.00 -0.26 0.00 0.00 64.21 64.57 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 -3.11 2.15 0.56 1.04 1.43 -0.56 -4.99 118.68 115.20 1h1j s LEU 8 Ca 0.24 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.45 1h1j s LEU 8 Cb 0.41 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 1h1j s LEU 8 CO -0.04 -2.57 1.04 0.42 0.23 0.00 0.00 176.35 175.43 1h1j s THR 9 N -3.06 3.93 0.57 5.49 -4.23 -1.26 -4.71 115.64 112.37 1h1j s THR 9 Ca 0.63 0.96 0.32 0.00 -1.18 0.00 0.00 61.69 62.42 1h1j s THR 9 Cb -0.17 -3.45 0.46 0.00 1.34 0.00 0.00 72.50 70.68 1h1j s THR 9 CO 0.56 -0.50 1.77 1.62 -0.54 0.00 0.00 174.62 177.53 1h1j h VAL 10 N 0.69 0.33 -0.30 2.29 3.04 -1.94 0.41 116.25 120.77 1h1j h VAL 10 Ca -0.47 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.15 1h1j h VAL 10 Cb 1.21 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1h1j h VAL 10 CO 0.58 0.00 -0.07 0.58 -1.01 0.00 0.00 177.57 177.66 1h1j h VAL 11 N 0.00 1.28 -0.10 1.51 2.07 -1.98 -1.12 116.25 117.90 1h1j h VAL 11 Ca 0.41 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1h1j h VAL 11 Cb 1.90 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1h1j h VAL 11 CO -0.00 0.35 -0.30 1.56 0.02 0.00 0.00 177.57 179.20 1h1j h GLN 12 N 0.35 0.37 -0.69 1.57 1.08 -0.55 -0.38 115.11 116.87 1h1j h GLN 12 Ca 0.08 -0.27 0.06 0.00 -1.45 0.00 0.00 58.65 57.07 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 0.90 0.38 -0.07 -0.95 0.00 0.00 178.83 179.12 1h1j h LEU 13 N -0.08 0.56 -1.15 1.46 4.07 -1.31 0.22 115.31 119.08 1h1j h LEU 13 Ca -0.01 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 1h1j h LEU 13 Cb 0.92 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1h1j h LEU 13 CO 0.06 0.36 -0.23 0.50 -1.08 0.00 0.00 178.44 178.05 1h1j h LYS 14 N 0.70 0.30 0.02 1.13 3.64 -1.16 -1.86 116.57 119.34 1h1j h LYS 14 Ca 0.31 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1h1j h LYS 14 Cb 0.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1h1j h LYS 14 CO -0.19 0.52 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.06 1h1j h ASP 15 N 0.27 -0.02 -0.41 4.20 5.19 0.11 0.24 116.42 126.00 1h1j h ASP 15 Ca 0.05 -0.46 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 1h1j h ASP 15 Cb 0.57 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1h1j h ASP 15 CO 0.04 0.46 0.22 0.17 -3.12 0.00 0.00 179.24 177.01 1h1j h LEU 16 N -0.50 0.52 -0.89 1.55 -0.00 -0.66 -1.46 115.31 113.85 1h1j h LEU 16 Ca -0.00 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.88 57.67 1h1j h LEU 16 Cb 0.48 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 1h1j h LEU 16 CO 0.00 0.47 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.49 1h1j h LEU 17 N 0.53 0.39 -0.62 0.17 3.38 -1.37 0.46 115.31 118.26 1h1j h LEU 17 Ca 0.14 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1h1j h LEU 17 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1h1j h LEU 17 CO -0.02 0.72 0.40 0.74 0.09 0.00 0.00 178.44 180.37 1h1j h THR 18 N 0.32 1.13 0.00 0.22 2.02 -0.06 0.55 112.91 117.09 1h1j h THR 18 Ca 0.04 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1h1j h THR 18 Cb 0.78 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1h1j h THR 18 CO 0.06 0.15 0.00 1.17 0.37 0.00 0.00 175.52 177.27 1h1j n LYS 19 N -4.68 0.25 0.00 6.66 3.00 -0.59 -3.05 118.16 119.75 1h1j n LYS 19 Ca 0.05 0.23 0.14 0.00 -0.00 0.00 0.00 58.31 58.73 1h1j n LYS 19 Cb 0.04 -1.81 0.62 0.00 0.00 0.00 0.00 35.03 33.88 1h1j n LYS 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1h1j n ARG 20 N -2.25 1.39 -1.63 1.64 0.63 0.16 -4.87 116.66 111.72 1h1j n ARG 20 Ca 0.05 -0.66 -0.14 0.00 -0.92 0.00 0.00 57.85 56.18 1h1j n ARG 20 Cb 0.41 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.79 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 -0.23 -4.56 -3.27 6.15 2.85 -0.68 -4.92 115.26 110.60 1h1j n ASN 21 Ca 0.19 0.25 -0.16 0.00 -0.11 0.00 0.00 54.58 54.75 1h1j n ASN 21 Cb 0.29 -3.40 -0.06 0.00 1.24 0.00 0.00 39.78 37.85 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 -3.38 -0.06 0.00 1.20 1.98 -0.55 -5.05 118.68 112.82 1h1j s LEU 22 Ca 0.00 -1.87 -0.03 0.00 -2.89 0.00 0.00 54.13 49.33 1h1j s LEU 22 Cb 0.00 0.64 0.05 0.00 0.66 0.00 0.00 46.19 47.54 1h1j s LEU 22 CO 0.00 -0.20 0.11 -1.20 -1.89 0.00 0.00 176.35 173.16 1h1j n SER 23 N 3.76 -1.52 -4.70 3.68 7.64 -1.24 -4.41 113.62 116.82 1h1j n SER 23 Ca 0.16 -0.11 -0.24 0.00 1.01 0.00 0.00 58.87 59.70 1h1j n SER 23 Cb 0.48 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.88 3.82 0.00 0.44 -7.23 -1.26 -4.89 120.40 110.40 1h1j s VAL 24 Ca 0.08 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1h1j s VAL 24 Cb -0.01 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1h1j s VAL 24 CO 0.07 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 1h1j n GLY 25 N -0.77 -0.55 0.00 2.32 0.00 -1.26 -4.93 105.19 100.00 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 -0.29 3.61 -0.02 0.00 -1.26 -4.92 105.19 102.31 1h1j n GLY 26 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.44 1.96 0.20 0.99 2.34 -1.26 -4.65 118.68 116.82 1h1j s LEU 27 Ca 0.00 1.81 -0.11 0.00 0.06 0.00 0.00 54.13 55.89 1h1j s LEU 27 Cb 0.00 -4.02 0.25 0.00 -0.56 0.00 0.00 46.19 41.87 1h1j s LEU 27 CO 0.00 -3.44 1.70 0.50 -1.06 0.00 0.00 176.35 174.05 1h1j h LYS 28 N -2.10 0.22 -0.72 1.48 1.63 -1.99 -0.88 116.57 114.21 1h1j h LYS 28 Ca -0.51 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.25 1h1j h LYS 28 Cb 1.29 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.84 1h1j h LYS 28 CO 0.47 0.15 0.35 -0.91 -3.45 0.00 0.00 179.45 176.06 1h1j h ASN 29 N 0.23 0.93 -0.93 4.20 4.21 -1.99 -1.15 115.58 121.09 1h1j h ASN 29 Ca 0.29 -0.13 0.08 0.00 1.21 0.00 0.00 56.30 57.75 1h1j h ASN 29 Cb 0.42 -0.24 -0.07 0.00 -1.12 0.00 0.00 38.32 37.31 1h1j h ASN 29 CO -0.39 0.80 0.58 -0.33 -1.29 0.00 0.00 177.43 176.79 1h1j h GLU 30 N 1.00 0.97 -0.11 0.81 4.39 -1.53 0.38 114.58 120.50 1h1j h GLU 30 Ca 0.25 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1h1j h GLU 30 Cb 0.11 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1h1j h GLU 30 CO -0.03 0.64 0.07 -0.07 -1.16 0.00 0.00 179.01 178.46 1h1j h LEU 31 N 1.00 0.14 -0.57 1.33 -0.00 -0.37 0.44 115.31 117.28 1h1j h LEU 31 Ca 0.42 -0.06 0.04 0.00 -0.00 0.00 0.00 57.88 58.28 1h1j h LEU 31 Cb 0.27 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 1h1j h LEU 31 CO -0.21 0.15 0.32 1.62 -0.00 0.00 0.00 178.44 180.33 1h1j h VAL 32 N 0.11 1.00 -0.34 1.22 3.04 0.03 -1.24 116.25 120.06 1h1j h VAL 32 Ca 0.04 -0.21 -0.10 0.00 -1.01 0.00 0.00 66.70 65.42 1h1j h VAL 32 Cb 0.05 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 29.64 1h1j h VAL 32 CO -0.01 0.11 -0.20 1.56 -1.01 0.00 0.00 177.57 178.03 1h1j h GLN 33 N 0.62 0.64 -0.30 4.17 1.08 0.17 -1.78 115.11 119.72 1h1j h GLN 33 Ca 0.25 -0.24 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1h1j h GLN 33 Cb 0.11 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1h1j h GLN 33 CO -0.14 0.80 -0.13 -0.09 -0.95 0.00 0.00 178.83 178.32 1h1j h ARG 34 N 0.57 0.61 -0.08 1.46 2.43 0.71 0.38 114.38 120.47 1h1j h ARG 34 Ca 0.09 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 1h1j h ARG 34 Cb 0.65 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1h1j h ARG 34 CO 0.05 0.83 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.17 1h1j h LEU 35 N 0.36 0.22 -0.20 3.80 3.38 -1.21 0.54 115.31 122.21 1h1j h LEU 35 Ca 0.07 -0.51 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 1h1j h LEU 35 Cb 0.64 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1h1j h LEU 35 CO 0.04 0.69 -0.27 0.40 0.09 0.00 0.00 178.44 179.38 1h1j h ILE 36 N -0.24 1.33 -0.34 1.22 2.04 -1.36 0.43 117.51 120.59 1h1j h ILE 36 Ca 0.01 -1.48 -0.10 0.00 1.00 0.00 0.00 64.86 64.30 1h1j h ILE 36 Cb 0.63 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1h1j h ILE 36 CO 0.02 0.45 -0.17 0.50 0.00 0.00 0.00 178.15 178.95 1h1j h LYS 37 N 0.20 0.72 -0.16 2.37 3.64 -0.31 0.14 116.57 123.17 1h1j h LYS 37 Ca 0.02 -0.32 -0.16 0.00 -1.27 0.00 0.00 60.65 58.92 1h1j h LYS 37 Cb 0.85 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1h1j h LYS 37 CO 0.06 0.92 -0.58 0.22 -2.27 0.00 0.00 179.45 177.81 1h1j h ASP 38 N 0.49 0.56 0.23 4.20 3.58 -0.90 -3.06 116.42 121.52 1h1j h ASP 38 Ca 0.08 -0.31 -0.15 0.00 0.42 0.00 0.00 57.03 57.07 1h1j h ASP 38 Cb 0.71 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1h1j h ASP 38 CO 0.05 1.01 -0.56 -0.78 -2.88 0.00 0.00 179.24 176.08 1h1j h ASP 39 N 0.38 0.39 0.10 2.28 3.58 -0.02 -2.99 116.42 120.14 1h1j h ASP 39 Ca 0.00 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.18 1h1j h ASP 39 Cb 1.12 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1h1j h ASP 39 CO 0.10 0.88 -0.19 -0.08 -2.88 0.00 0.00 179.24 177.07 1h1j h GLU 40 N 0.27 0.18 -6.41 0.28 4.81 -0.88 -3.43 114.58 109.40 1h1j h GLU 40 Ca 0.00 -0.05 -0.51 0.00 -0.13 0.00 0.00 59.36 58.68 1h1j h GLU 40 Cb 1.07 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1h1j h GLU 40 CO 0.09 0.37 -0.22 -1.21 -0.73 0.00 0.00 179.01 177.31 1h1j s GLU 41 N -4.60 3.55 0.63 1.92 0.41 -1.13 -4.96 118.70 114.53 1h1j s GLU 41 Ca -0.05 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 1h1j s GLU 41 Cb 0.15 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 1h1j s GLU 41 CO 0.73 0.26 0.00 0.43 -0.49 0.00 0.00 175.26 176.19 1h1j n SER 42 N -1.10 -6.35 -1.38 -0.19 7.64 -1.26 -4.92 113.62 106.06 1h1j n SER 42 Ca -0.04 0.91 0.17 0.00 1.01 0.00 0.00 58.87 60.93 1h1j n SER 42 Cb 0.55 -2.64 -0.08 0.00 -1.01 0.00 0.00 64.21 61.02 1h1j n SER 42 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1h1j n LYS 43 N -3.00 -3.12 0.00 1.43 5.02 -1.26 -4.99 118.16 112.25 1h1j n LYS 43 Ca 0.01 2.47 0.00 0.00 -2.02 0.00 0.00 58.31 58.77 1h1j n LYS 43 Cb 0.39 -3.67 0.00 0.00 -0.02 0.00 0.00 35.03 31.73 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29