#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sju s VAL 2 N 0.00 0.00 -0.35 1.97 -7.23 -1.26 -5.01 120.40 108.51 1sju s VAL 2 Ca 0.00 -1.06 0.14 0.00 -1.81 0.00 0.00 61.98 59.25 1sju s VAL 2 Cb 0.00 -2.29 0.42 0.00 0.56 0.00 0.00 36.38 35.07 1sju s VAL 2 CO 0.00 0.00 1.27 0.59 -0.31 0.00 0.00 175.10 176.65 1sju n ASN 3 N -0.76 -0.60 -0.37 4.85 3.02 -1.26 -4.74 115.26 115.40 1sju n ASN 3 Ca -0.05 -2.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.08 1sju n ASN 3 Cb 0.60 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 1sju n ASN 3 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1sju n GLN 4 N -0.66 0.00 -2.62 3.52 7.27 -1.26 -5.06 117.38 118.57 1sju n GLN 4 Ca -0.02 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.80 1sju n GLN 4 Cb 0.84 0.00 0.02 0.00 2.41 0.00 0.00 30.24 33.52 1sju n GLN 4 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1sju s HIS 5 N -5.21 3.24 0.00 3.69 3.76 -1.26 -4.36 115.29 115.15 1sju s HIS 5 Ca 0.00 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1sju s HIS 5 Cb 0.00 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 31.12 1sju s HIS 5 CO 0.00 -0.64 0.00 1.28 -0.85 0.00 0.00 174.74 174.53 1sju n LEU 6 N -2.39 0.30 -2.04 0.89 4.77 -1.10 -5.00 117.00 112.43 1sju n LEU 6 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1sju n LEU 6 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1sju n LEU 6 CO 0.51 -0.09 -0.44 0.00 -1.33 0.00 0.00 177.39 176.04 1sju n GLY 8 N 1.79 0.00 0.10 0.00 0.00 -1.26 -0.50 105.19 105.32 1sju n GLY 8 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1sju n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sju n SER 9 N 0.00 -0.26 0.10 1.61 2.88 -1.26 0.30 113.62 116.99 1sju n SER 9 Ca 0.00 0.44 -0.16 0.00 -1.33 0.00 0.00 58.87 57.82 1sju n SER 9 Cb 0.00 -0.06 -0.13 0.00 -0.75 0.00 0.00 64.21 63.27 1sju n SER 9 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1sju h ASP 10 N 0.00 0.45 -0.32 -3.46 3.32 -0.62 -0.47 116.42 115.32 1sju h ASP 10 Ca 0.04 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1sju h ASP 10 Cb 0.10 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1sju h ASP 10 CO -0.23 1.36 0.20 0.25 -1.72 0.00 0.00 179.24 179.10 1sju h LEU 11 N 0.09 0.40 0.00 1.55 7.12 0.42 0.10 115.31 124.99 1sju h LEU 11 Ca -0.14 -0.02 -0.05 0.00 0.13 0.00 0.00 57.88 57.81 1sju h LEU 11 Cb 1.95 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.98 1sju h LEU 11 CO 0.20 0.31 -0.51 0.58 -0.13 0.00 0.00 178.44 178.90 1sju h VAL 12 N 0.46 0.37 -0.32 1.05 2.07 0.45 -2.37 116.25 117.96 1sju h VAL 12 Ca 0.12 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.35 1sju h VAL 12 Cb -0.01 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1sju h VAL 12 CO -0.02 0.13 0.30 1.05 0.02 0.00 0.00 177.57 179.05 1sju h GLU 13 N -1.00 0.00 0.04 1.57 -0.00 -1.07 0.21 114.58 114.33 1sju h GLU 13 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.28 1sju h GLU 13 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.36 1sju h GLU 13 CO -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 179.01 178.94 1sju h ALA 14 N 1.70 -0.07 -1.66 1.06 0.00 -0.92 -1.95 119.26 117.41 1sju h ALA 14 Ca 0.15 -0.01 0.50 0.00 0.00 0.00 0.00 54.91 55.55 1sju h ALA 14 Cb 0.75 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 1sju h ALA 14 CO -0.00 -0.07 1.16 1.25 0.00 0.00 0.00 179.25 181.59 1sju h LEU 15 N -0.74 0.08 0.66 0.00 6.46 -0.93 2.66 115.31 123.50 1sju h LEU 15 Ca -0.01 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1sju h LEU 15 Cb 0.04 0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1sju h LEU 15 CO 0.01 -0.08 -0.32 0.22 -0.62 0.00 0.00 178.44 177.66 1sju h TYR 16 N 0.02 -0.82 0.00 1.25 3.20 -0.55 0.80 116.97 120.87 1sju h TYR 16 Ca 0.86 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.71 1sju h TYR 16 Cb 3.21 0.27 0.00 0.00 1.54 0.00 0.00 36.73 41.75 1sju h TYR 16 CO -0.00 -0.47 0.00 1.25 -1.64 0.00 0.00 178.16 177.29 1sju h LEU 17 N -1.11 0.00 0.00 2.82 5.85 0.44 2.28 115.31 125.58 1sju h LEU 17 Ca -0.09 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1sju h LEU 17 Cb 0.72 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.75 1sju h LEU 17 CO 0.15 0.00 -0.25 0.58 -0.34 0.00 0.00 178.44 178.58 1sju h VAL 18 N 0.00 1.56 -0.83 1.05 2.07 0.45 -3.39 116.25 117.16 1sju h VAL 18 Ca 0.00 -1.98 -0.36 0.00 0.82 0.00 0.00 66.70 65.18 1sju h VAL 18 Cb 0.20 2.81 -0.40 0.00 -1.52 0.00 0.00 31.29 32.38 1sju h VAL 18 CO 0.00 0.54 -1.09 0.00 0.02 0.00 0.00 177.57 177.04 1sju h GLY 20 N 2.75 0.00 -0.21 0.00 0.00 0.37 -1.24 103.07 104.73 1sju h GLY 20 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.48 1sju h GLY 20 CO 0.44 0.00 0.19 0.83 0.00 0.00 0.00 176.54 178.00 1sju h GLU 21 N 0.00 0.24 0.00 4.80 5.08 -1.90 -2.30 114.58 120.50 1sju h GLU 21 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1sju h GLU 21 Cb 0.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1sju h GLU 21 CO -0.00 0.16 -0.02 2.89 -1.00 0.00 0.00 179.01 181.04 1sju n ARG 22 N -5.19 2.17 -3.59 2.33 0.00 -0.81 -4.98 116.66 106.59 1sju n ARG 22 Ca 0.17 -1.69 -0.25 0.00 -0.00 0.00 0.00 57.85 56.07 1sju n ARG 22 Cb 0.53 -1.08 0.06 0.00 -0.00 0.00 0.00 32.46 31.98 1sju n ARG 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sju n GLY 23 N -0.70 -0.53 6.88 2.89 0.00 -0.54 -4.73 105.19 108.46 1sju n GLY 23 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1sju n GLY 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sju n PHE 24 N -4.85 -0.67 0.00 1.61 1.16 -1.09 -4.74 117.46 108.89 1sju n PHE 24 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1sju n PHE 24 Cb 0.56 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.43 1sju n PHE 24 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1sju n PHE 25 N 0.00 0.00 -3.19 2.97 -0.00 -0.96 -4.87 117.46 111.42 1sju n PHE 25 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1sju n PHE 25 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1sju n PHE 25 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1sju n TYR 26 N -2.18 -0.05 -2.44 -5.13 4.01 -1.26 -5.00 117.16 105.12 1sju n TYR 26 Ca 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1sju n TYR 26 Cb 0.44 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 1sju n TYR 26 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1sju n THR 27 N 1.28 0.00 -1.93 -0.72 5.66 -1.26 -5.00 114.28 112.32 1sju n THR 27 Ca -0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1sju n THR 27 Cb 0.50 -0.09 -0.01 0.00 -1.55 0.00 0.00 70.33 69.18 1sju n THR 27 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1sju n ASP 28 N 0.00 7.67 -2.42 1.09 8.00 -1.26 -4.96 116.55 124.67 1sju n ASP 28 Ca 0.00 -3.20 -0.06 0.00 0.71 0.00 0.00 54.79 52.24 1sju n ASP 28 Cb 0.00 -1.32 0.04 0.00 -0.02 0.00 0.00 41.12 39.83 1sju n ASP 28 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1sju n LYS 29 N 1.40 -0.38 -0.63 -1.24 0.00 -1.26 -4.98 118.16 111.08 1sju n LYS 29 Ca 0.59 -0.42 0.06 0.00 -0.00 0.00 0.00 58.31 58.53 1sju n LYS 29 Cb 0.31 -0.29 0.29 0.00 -0.00 0.00 0.00 35.03 35.35 1sju n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sju n GLY 30 N 3.00 3.84 2.27 2.58 0.00 -1.26 -4.99 105.19 110.63 1sju n GLY 30 Ca 0.03 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 1sju n GLY 30 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1sju n ILE 31 N -0.27 0.00 0.00 -0.61 3.06 -1.26 -4.69 119.36 115.59 1sju n ILE 31 Ca 0.26 -1.42 0.00 0.00 -2.50 0.00 0.00 62.75 59.08 1sju n ILE 31 Cb 1.02 0.11 0.00 0.00 0.54 0.00 0.00 39.64 41.31 1sju n ILE 31 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1sju n VAL 32 N -0.96 0.00 1.39 9.51 0.31 -1.26 -4.77 118.33 122.55 1sju n VAL 32 Ca -0.09 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.38 1sju n VAL 32 Cb 0.39 0.00 0.45 0.00 -0.91 0.00 0.00 33.84 33.78 1sju n VAL 32 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1sju n GLU 33 N -2.00 1.76 0.00 5.55 4.07 -1.26 -3.99 120.64 124.77 1sju n GLU 33 Ca 0.00 -1.11 0.00 0.00 -0.06 0.00 0.00 57.16 55.99 1sju n GLU 33 Cb 0.00 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 1sju n GLU 33 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sju n GLN 34 N 0.35 1.94 0.00 5.31 10.64 -1.26 -4.57 117.38 129.80 1sju n GLN 34 Ca 0.18 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.42 1sju n GLN 34 Cb 0.39 -0.98 0.33 0.00 -0.86 0.00 0.00 30.24 29.11 1sju n GLN 34 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sju n THR 37 N -2.06 0.22 -0.03 0.00 -2.24 -0.60 -4.64 114.28 104.93 1sju n THR 37 Ca 0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1sju n THR 37 Cb 0.45 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1sju n THR 37 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1sju n SER 38 N -2.50 0.00 -3.18 3.42 2.88 0.44 -4.95 113.62 109.73 1sju n SER 38 Ca -0.07 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.27 1sju n SER 38 Cb 0.58 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 1sju n SER 38 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1sju n ILE 39 N 0.00 -0.40 -1.91 2.46 2.08 -1.26 -4.36 119.36 115.96 1sju n ILE 39 Ca 0.00 -4.25 -0.30 0.00 0.56 0.00 0.00 62.75 58.76 1sju n ILE 39 Cb 0.00 -0.97 0.18 0.00 -0.75 0.00 0.00 39.64 38.10 1sju n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1sju n SER 41 N -3.74 0.00 -0.01 0.00 3.41 -1.26 -4.54 113.62 107.48 1sju n SER 41 Ca 0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1sju n SER 41 Cb 0.60 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1sju n SER 41 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1sju h LEU 42 N 0.00 0.00 -0.88 1.04 6.46 -1.95 -2.91 115.31 117.07 1sju h LEU 42 Ca 0.00 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 1sju h LEU 42 Cb 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 39.79 1sju h LEU 42 CO 0.00 0.07 -0.33 -1.22 -0.62 0.00 0.00 178.44 176.34 1sju n TYR 43 N -2.38 0.07 -0.09 1.25 4.01 -1.26 0.18 117.16 118.94 1sju n TYR 43 Ca -0.00 1.08 -0.10 0.00 -0.16 0.00 0.00 57.90 58.71 1sju n TYR 43 Cb 0.01 -0.85 -0.03 0.00 -0.31 0.00 0.00 39.34 38.16 1sju n TYR 43 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1sju h GLN 44 N 0.00 0.43 -0.20 -0.72 4.15 -1.96 -2.45 115.11 114.35 1sju h GLN 44 Ca 0.32 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.60 1sju h GLN 44 Cb 0.54 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1sju h GLN 44 CO -0.87 0.47 -0.11 -0.07 -1.93 0.00 0.00 178.83 176.32 1sju h LEU 45 N 0.30 0.31 0.00 -2.39 -0.00 0.36 -0.91 115.31 112.98 1sju h LEU 45 Ca 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1sju h LEU 45 Cb 0.21 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1sju h LEU 45 CO -0.01 0.46 0.00 -0.62 -0.00 0.00 0.00 178.44 178.28 1sju n GLU 46 N -4.26 0.79 -0.30 1.13 -0.58 0.49 -2.76 120.64 115.15 1sju n GLU 46 Ca -0.00 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 1sju n GLU 46 Cb 0.28 -1.44 0.22 0.00 -0.57 0.00 0.00 31.44 29.93 1sju n GLU 46 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sju n ASN 47 N -0.94 2.80 -2.69 1.62 4.13 -0.35 -4.13 115.26 115.70 1sju n ASN 47 Ca 0.17 -2.10 -0.07 0.00 1.68 0.00 0.00 54.58 54.26 1sju n ASN 47 Cb 0.08 -0.37 0.04 0.00 -1.54 0.00 0.00 39.78 37.98 1sju n ASN 47 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sju n TYR 48 N 0.82 1.42 -3.82 3.10 4.01 -1.11 -5.09 117.16 116.49 1sju n TYR 48 Ca 0.16 -2.49 -0.08 0.00 -0.16 0.00 0.00 57.90 55.34 1sju n TYR 48 Cb 0.48 -0.29 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40