#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2j h PHE 4 N 0.00 0.00 0.00 -0.67 -5.15 -1.99 -1.18 116.94 107.95 1p2j h PHE 4 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1p2j h PHE 4 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1p2j h PHE 4 CO 0.00 0.05 0.00 0.00 -2.00 0.00 0.00 178.31 176.36 1p2j n LEU 6 N -2.35 2.83 -4.79 0.00 4.77 -0.44 -4.63 117.00 112.38 1p2j n LEU 6 Ca 0.01 -0.99 -0.37 0.00 -0.03 0.00 0.00 56.01 54.64 1p2j n LEU 6 Cb 0.21 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1p2j n LEU 6 CO 0.19 0.49 0.57 -0.70 -1.33 0.00 0.00 177.39 176.61 1p2j s GLU 7 N -1.93 4.51 0.68 3.23 2.56 -1.00 -5.00 118.70 121.74 1p2j s GLU 7 Ca 0.31 1.20 -0.16 0.00 0.00 0.00 0.00 54.97 56.31 1p2j s GLU 7 Cb 0.20 -2.89 0.01 0.00 2.00 0.00 0.00 34.13 33.45 1p2j s GLU 7 CO 0.31 0.35 1.21 -2.14 -0.56 0.00 0.00 175.26 174.43 1p2j s PRO 8 N -1.90 2.45 0.46 4.30 0.02 -1.26 -4.93 135.00 134.15 1p2j s PRO 8 Ca 0.46 1.79 -0.24 0.00 0.02 0.00 0.00 61.00 63.04 1p2j s PRO 8 Cb -0.19 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 1p2j s PRO 8 CO 0.24 -1.60 1.29 -1.25 -0.33 0.00 0.00 177.00 175.34 1p2j s PRO 9 N -3.70 3.67 -0.29 5.54 0.04 -1.26 -4.99 135.00 134.01 1p2j s PRO 9 Ca 0.76 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1p2j s PRO 9 Cb -0.30 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.77 1p2j s PRO 9 CO 0.41 -0.72 -0.03 -0.47 0.04 0.00 0.00 177.00 176.23 1p2j s TYR 10 N -1.35 3.29 0.15 0.56 6.14 -1.26 -4.98 117.35 119.90 1p2j s TYR 10 Ca 0.63 -2.09 -0.11 0.00 0.64 0.00 0.00 57.07 56.14 1p2j s TYR 10 Cb -0.36 -2.11 -0.01 0.00 0.42 0.00 0.00 41.96 39.90 1p2j s TYR 10 CO 0.45 -0.84 1.54 1.15 0.64 0.00 0.00 175.55 178.49 1p2j h THR 11 N 6.58 1.27 0.00 4.34 2.02 -1.95 -3.44 112.91 121.73 1p2j h THR 11 Ca -0.19 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.63 1p2j h THR 11 Cb 1.05 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1p2j h THR 11 CO 0.51 0.46 0.00 0.61 0.37 0.00 0.00 175.52 177.48 1p2j n GLY 12 N -0.11 -1.59 0.12 2.16 0.00 -1.26 -0.66 105.19 103.85 1p2j n GLY 12 Ca -0.00 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1p2j n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p2j h PRO 13 N 0.00 0.00 -7.42 1.61 0.13 -1.94 -3.43 132.00 120.95 1p2j h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1p2j h PRO 13 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1p2j h PRO 13 CO 0.00 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.15 1p2j n LEU 15 N -3.14 4.24 -4.89 0.00 4.77 -1.17 -4.31 117.00 112.49 1p2j n LEU 15 Ca 0.07 -3.59 -0.29 0.00 -0.03 0.00 0.00 56.01 52.17 1p2j n LEU 15 Cb 0.56 -0.63 0.12 0.00 -2.33 0.00 0.00 43.42 41.14 1p2j n LEU 15 CO 0.57 1.11 0.80 0.00 -1.33 0.00 0.00 177.39 178.54 1p2j s ALA 16 N -3.16 2.44 -0.63 -1.18 0.00 0.04 -5.04 121.76 114.23 1p2j s ALA 16 Ca 0.45 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1p2j s ALA 16 Cb 0.40 -2.92 0.17 0.00 0.00 0.00 0.00 23.12 20.77 1p2j s ALA 16 CO 0.03 -1.95 0.47 -2.13 0.00 0.00 0.00 175.76 172.17 1p2j n ARG 17 N -3.49 1.45 -4.08 0.00 0.00 -1.26 -4.17 116.66 105.10 1p2j n ARG 17 Ca 0.10 -4.16 -0.34 0.00 -0.00 0.00 0.00 57.85 53.44 1p2j n ARG 17 Cb 0.60 -2.12 -0.10 0.00 0.00 0.00 0.00 32.46 30.84 1p2j n ARG 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1p2j s ILE 18 N -1.14 4.55 -0.18 5.15 1.01 -0.52 -4.94 121.20 125.13 1p2j s ILE 18 Ca 0.28 -0.12 -0.25 0.00 0.00 0.00 0.00 60.65 60.55 1p2j s ILE 18 Cb -0.01 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1p2j s ILE 18 CO -0.17 0.46 0.84 -0.63 0.00 0.00 0.00 174.94 175.44 1p2j s ILE 19 N 0.47 4.87 0.34 2.92 1.01 -1.26 -0.10 121.20 129.45 1p2j s ILE 19 Ca 0.02 1.65 0.04 0.00 0.00 0.00 0.00 60.65 62.35 1p2j s ILE 19 Cb -0.13 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 1p2j s ILE 19 CO 0.01 0.01 0.06 -0.13 0.00 0.00 0.00 174.94 174.89 1p2j s ARG 20 N 2.23 1.71 0.02 2.79 1.81 -0.62 -4.95 118.95 121.95 1p2j s ARG 20 Ca 0.38 -1.96 0.02 0.00 -1.72 0.00 0.00 55.73 52.45 1p2j s ARG 20 Cb -0.16 -0.95 -0.04 0.00 -0.45 0.00 0.00 34.95 33.35 1p2j s ARG 20 CO 0.12 -0.19 0.01 0.71 -0.68 0.00 0.00 175.30 175.27 1p2j s TYR 21 N -3.22 3.09 0.06 -0.53 1.51 0.20 -0.76 117.35 117.69 1p2j s TYR 21 Ca 0.35 0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.53 1p2j s TYR 21 Cb 0.08 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1p2j s TYR 21 CO 0.15 0.48 -0.11 -0.59 -1.11 0.00 0.00 175.55 174.37 1p2j s PHE 22 N -1.14 0.95 -0.14 2.71 -0.12 0.51 -0.29 117.98 120.45 1p2j s PHE 22 Ca 0.21 -0.48 -0.29 0.00 -0.05 0.00 0.00 56.93 56.32 1p2j s PHE 22 Cb -0.12 -0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 41.72 1p2j s PHE 22 CO 0.12 -0.01 1.04 -0.47 -0.05 0.00 0.00 175.22 175.85 1p2j s TYR 23 N -1.33 3.42 -0.56 3.49 6.14 -1.26 -0.80 117.35 126.45 1p2j s TYR 23 Ca -0.06 1.52 -0.15 0.00 0.64 0.00 0.00 57.07 59.01 1p2j s TYR 23 Cb -0.10 -3.24 0.14 0.00 0.42 0.00 0.00 41.96 39.18 1p2j s TYR 23 CO 0.01 -0.42 0.52 1.21 0.64 0.00 0.00 175.55 177.51 1p2j s ASN 24 N 1.18 6.21 0.41 4.32 3.84 0.14 -4.80 114.94 126.25 1p2j s ASN 24 Ca 0.48 -1.89 0.13 0.00 0.21 0.00 0.00 52.86 51.79 1p2j s ASN 24 Cb -0.18 -2.20 0.86 0.00 -0.55 0.00 0.00 41.25 39.18 1p2j s ASN 24 CO 0.15 -0.82 1.92 0.00 -2.79 0.00 0.00 177.10 175.55 1p2j h ALA 25 N 8.75 1.55 -0.67 1.71 0.00 -1.83 0.27 119.26 129.03 1p2j h ALA 25 Ca -0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1p2j h ALA 25 Cb 1.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1p2j h ALA 25 CO 1.00 0.34 0.40 -0.22 0.00 0.00 0.00 179.25 180.76 1p2j h LYS 26 N 0.04 0.92 0.00 0.00 3.64 -1.95 -3.05 116.57 116.17 1p2j h LYS 26 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1p2j h LYS 26 Cb 0.46 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1p2j h LYS 26 CO 0.03 0.67 -0.77 0.00 -2.27 0.00 0.00 179.45 177.10 1p2j h ALA 27 N 1.20 0.53 -4.39 5.00 0.00 -1.86 -3.48 119.26 116.27 1p2j h ALA 27 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.82 1p2j h ALA 27 Cb -0.01 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.86 1p2j h ALA 27 CO -0.04 0.00 -0.53 0.41 0.00 0.00 0.00 179.25 179.09 1p2j n GLY 28 N 1.29 -0.29 2.90 0.00 0.00 0.90 -5.02 105.19 104.97 1p2j n GLY 28 Ca 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1p2j n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p2j s LEU 29 N -5.89 2.06 -0.04 0.99 1.43 -1.02 -5.00 118.68 111.20 1p2j s LEU 29 Ca 0.37 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 1p2j s LEU 29 Cb -0.16 0.00 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 1p2j s LEU 29 CO 0.46 -0.07 1.03 0.00 0.23 0.00 0.00 176.35 178.00 1p2j s GLN 31 N 1.56 1.32 0.31 0.00 -0.21 0.02 -4.93 119.66 117.73 1p2j s GLN 31 Ca 0.51 -1.59 -0.06 0.00 0.02 0.00 0.00 55.36 54.25 1p2j s GLN 31 Cb -0.21 -1.07 -0.05 0.00 1.00 0.00 0.00 33.01 32.68 1p2j s GLN 31 CO 0.23 0.16 0.59 0.95 -2.12 0.00 0.00 175.29 175.11 1p2j s THR 32 N -3.01 4.99 0.23 -0.19 -4.23 -1.26 -0.36 115.64 111.80 1p2j s THR 32 Ca 0.22 0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.72 1p2j s THR 32 Cb -0.00 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.11 1p2j s THR 32 CO 0.07 -0.37 0.52 0.72 -0.54 0.00 0.00 174.62 175.02 1p2j s PHE 33 N -2.15 0.13 -0.27 3.99 -0.12 0.06 -4.88 117.98 114.74 1p2j s PHE 33 Ca 0.45 -0.50 -0.18 0.00 -0.05 0.00 0.00 56.93 56.65 1p2j s PHE 33 Cb -0.11 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1p2j s PHE 33 CO 0.31 -1.00 0.53 0.08 -0.05 0.00 0.00 175.22 175.09 1p2j s VAL 34 N -3.96 5.05 -0.14 -2.49 1.01 -1.26 -1.59 120.40 117.02 1p2j s VAL 34 Ca 0.16 0.87 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 1p2j s VAL 34 Cb -0.02 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1p2j s VAL 34 CO 0.05 0.05 0.08 -0.47 0.00 0.00 0.00 175.10 174.81 1p2j s TYR 35 N 2.36 3.37 -1.52 5.22 5.04 0.86 -4.29 117.35 128.38 1p2j s TYR 35 Ca 0.22 0.29 0.29 0.00 -2.44 0.00 0.00 57.07 55.43 1p2j s TYR 35 Cb -0.16 -1.97 1.30 0.00 0.35 0.00 0.00 41.96 41.49 1p2j s TYR 35 CO 0.09 0.44 1.91 0.41 -1.34 0.00 0.00 175.55 177.07 1p2j n GLY 36 N 2.68 -1.09 0.00 8.97 0.00 0.16 -1.44 105.19 114.46 1p2j n GLY 36 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1p2j n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2j n GLY 37 N 1.30 1.60 3.14 -0.02 0.00 -1.26 -0.78 105.19 109.16 1p2j n GLY 37 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1p2j n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2j n ARG 39 N 0.16 -1.92 -1.58 0.00 5.12 -1.26 -4.44 116.66 112.74 1p2j n ARG 39 Ca -0.15 0.72 -0.45 0.00 -1.93 0.00 0.00 57.85 56.04 1p2j n ARG 39 Cb 0.61 -5.06 -0.02 0.00 -1.16 0.00 0.00 32.46 26.83 1p2j n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1p2j n ALA 40 N -2.14 -0.33 -2.32 7.54 0.00 -1.26 -4.88 120.51 117.12 1p2j n ALA 40 Ca -0.15 0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 1p2j n ALA 40 Cb 0.62 -2.00 0.16 0.00 0.00 0.00 0.00 19.45 18.23 1p2j n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p2j n LYS 41 N 0.72 -0.63 0.16 0.00 5.02 -1.26 -5.02 118.16 117.14 1p2j n LYS 41 Ca 0.10 -2.45 0.12 0.00 -2.02 0.00 0.00 58.31 54.05 1p2j n LYS 41 Cb 0.32 -0.97 0.14 0.00 -0.02 0.00 0.00 35.03 34.49 1p2j n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p2j h ARG 42 N 0.00 0.00 -3.70 1.97 3.08 -1.95 -3.34 114.38 110.44 1p2j h ARG 42 Ca -0.38 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 58.95 1p2j h ARG 42 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.19 1p2j h ARG 42 CO 0.34 0.00 2.80 -1.71 -1.07 0.00 0.00 179.97 180.32 1p2j n ASN 43 N -2.80 4.81 -3.17 7.04 5.15 -1.26 -4.71 115.26 120.33 1p2j n ASN 43 Ca 0.03 -2.92 0.04 0.00 -0.60 0.00 0.00 54.58 51.13 1p2j n ASN 43 Cb 0.52 -1.58 -0.01 0.00 -0.53 0.00 0.00 39.78 38.18 1p2j n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1p2j s ASN 44 N 2.22 -1.31 0.08 1.20 3.84 -1.24 -4.52 114.94 115.20 1p2j s ASN 44 Ca 0.47 0.86 0.05 0.00 0.21 0.00 0.00 52.86 54.44 1p2j s ASN 44 Cb 0.13 2.12 -0.03 0.00 -0.55 0.00 0.00 41.25 42.92 1p2j s ASN 44 CO -0.06 -0.25 -0.13 -0.36 -2.79 0.00 0.00 177.10 173.52 1p2j s PHE 45 N 2.87 1.19 -0.96 0.43 0.40 0.60 -4.93 117.98 117.57 1p2j s PHE 45 Ca 0.19 -0.51 0.26 0.00 -0.60 0.00 0.00 56.93 56.27 1p2j s PHE 45 Cb -0.15 -0.66 0.71 0.00 0.51 0.00 0.00 43.02 43.44 1p2j s PHE 45 CO -0.20 0.05 1.56 1.63 0.70 0.00 0.00 175.22 178.96 1p2j n LYS 46 N 1.06 0.04 -3.81 0.44 5.02 -1.26 -0.63 118.16 119.01 1p2j n LYS 46 Ca -0.20 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.02 1p2j n LYS 46 Cb 0.55 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 1p2j n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p2j s SER 47 N -3.16 0.01 0.31 4.39 1.04 -1.26 -4.88 113.70 110.16 1p2j s SER 47 Ca 0.11 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 55.98 1p2j s SER 47 Cb 0.17 0.39 0.51 0.00 0.10 0.00 0.00 66.02 67.19 1p2j s SER 47 CO 0.65 -0.79 1.80 0.00 0.98 0.00 0.00 173.24 175.88 1p2j h ALA 48 N 2.62 1.24 -0.67 5.32 0.00 -1.97 -2.32 119.26 123.46 1p2j h ALA 48 Ca -0.34 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1p2j h ALA 48 Cb 1.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1p2j h ALA 48 CO 0.52 0.50 0.15 0.93 0.00 0.00 0.00 179.25 181.35 1p2j h GLU 49 N 0.48 1.09 -0.69 0.00 3.07 -1.99 0.33 114.58 116.87 1p2j h GLU 49 Ca 0.09 -0.27 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 1p2j h GLU 49 Cb 0.48 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1p2j h GLU 49 CO 0.03 0.98 0.20 -0.44 -1.40 0.00 0.00 179.01 178.38 1p2j h ASP 50 N 1.01 1.01 -0.17 1.42 3.32 -1.91 -0.93 116.42 120.18 1p2j h ASP 50 Ca 0.21 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1p2j h ASP 50 Cb 0.39 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1p2j h ASP 50 CO 0.01 0.96 0.08 0.00 -1.72 0.00 0.00 179.24 178.56 1p2j h LEU 52 N 0.14 1.00 -0.71 0.00 3.38 -0.83 0.17 115.31 118.46 1p2j h LEU 52 Ca 0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1p2j h LEU 52 Cb 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1p2j h LEU 52 CO -0.01 0.99 0.43 -0.09 0.09 0.00 0.00 178.44 179.85 1p2j h ARG 53 N 0.98 0.96 0.11 1.13 2.43 -0.98 0.10 114.38 119.12 1p2j h ARG 53 Ca 0.20 -0.09 -0.29 0.00 -0.81 0.00 0.00 59.98 58.99 1p2j h ARG 53 Cb 0.42 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1p2j h ARG 53 CO 0.01 0.68 -1.43 1.15 -1.51 0.00 0.00 179.97 178.88 1p2j h THR 54 N 0.97 1.27 0.00 0.20 2.02 -0.93 -3.41 112.91 113.03 1p2j h THR 54 Ca 0.25 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.53 1p2j h THR 54 Cb -0.03 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1p2j h THR 54 CO -0.05 0.83 -0.20 0.00 0.37 0.00 0.00 175.52 176.48 1p2j n GLY 56 N 1.21 0.62 1.62 0.00 0.00 0.02 -1.22 105.19 107.44 1p2j n GLY 56 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1p2j n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2j n GLY 57 N 2.88 0.67 0.00 -0.02 0.00 -1.26 -5.03 105.19 102.43 1p2j n GLY 57 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1p2j n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32