#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sju n VAL 2 N 0.00 0.00 -2.14 1.97 0.24 -1.26 -5.06 118.33 112.07 1sju n VAL 2 Ca 0.00 -1.19 -0.06 0.00 -2.04 0.00 0.00 64.34 61.05 1sju n VAL 2 Cb 0.00 -0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 31.86 1sju n VAL 2 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1sju n ASN 3 N -2.27 -0.93 0.00 -1.34 5.03 -1.26 -4.91 115.26 109.58 1sju n ASN 3 Ca 0.04 -2.04 0.00 0.00 0.87 0.00 0.00 54.58 53.46 1sju n ASN 3 Cb 0.36 0.32 0.00 0.00 -1.02 0.00 0.00 39.78 39.43 1sju n ASN 3 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sju n GLN 4 N -0.23 0.77 -2.83 3.52 6.02 -1.26 -4.93 117.38 118.44 1sju n GLN 4 Ca -0.24 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.43 1sju n GLN 4 Cb 0.76 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.96 1sju n GLN 4 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1sju s HIS 5 N 3.04 3.39 0.05 1.08 3.76 -1.26 -4.00 115.29 121.35 1sju s HIS 5 Ca 0.00 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 1sju s HIS 5 Cb 0.00 -2.66 0.00 0.00 1.11 0.00 0.00 32.58 31.03 1sju s HIS 5 CO 0.00 -0.10 0.00 1.28 -0.85 0.00 0.00 174.74 175.07 1sju n LEU 6 N -0.89 0.07 -1.20 0.89 7.99 -1.02 -5.01 117.00 117.83 1sju n LEU 6 Ca 0.05 0.08 0.05 0.00 -0.01 0.00 0.00 56.01 56.18 1sju n LEU 6 Cb 0.54 0.03 -0.03 0.00 -0.11 0.00 0.00 43.42 43.85 1sju n LEU 6 CO 0.42 -0.56 -0.43 0.00 -1.51 0.00 0.00 177.39 175.31 1sju n GLY 8 N -2.90 -0.40 0.17 0.00 0.00 -1.26 0.23 105.19 101.03 1sju n GLY 8 Ca -0.03 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1sju n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sju n SER 9 N -0.53 -0.21 0.07 1.61 7.64 -1.26 0.30 113.62 121.23 1sju n SER 9 Ca 0.00 0.79 -0.16 0.00 1.01 0.00 0.00 58.87 60.50 1sju n SER 9 Cb 0.00 -0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 62.84 1sju n SER 9 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1sju h ASP 10 N 0.00 0.39 0.49 6.43 1.82 0.13 -0.49 116.42 125.19 1sju h ASP 10 Ca 0.20 -0.52 -0.02 0.00 -0.39 0.00 0.00 57.03 56.30 1sju h ASP 10 Cb 0.31 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1sju h ASP 10 CO -0.47 1.43 -0.24 -0.07 -1.61 0.00 0.00 179.24 178.29 1sju h LEU 11 N 0.07 -0.56 0.44 2.28 -0.00 1.80 -1.62 115.31 117.71 1sju h LEU 11 Ca -0.23 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.60 1sju h LEU 11 Cb 2.01 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 42.82 1sju h LEU 11 CO 0.17 -0.32 -0.21 0.58 -0.00 0.00 0.00 178.44 178.66 1sju h VAL 12 N -0.78 0.11 -0.81 1.22 2.07 0.44 0.25 116.25 118.75 1sju h VAL 12 Ca -0.07 -0.59 0.24 0.00 0.82 0.00 0.00 66.70 67.10 1sju h VAL 12 Cb 0.56 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1sju h VAL 12 CO 0.11 0.03 0.83 -0.08 0.02 0.00 0.00 177.57 178.47 1sju h GLU 13 N -1.12 0.00 0.00 1.57 4.57 -1.14 0.12 114.58 118.57 1sju h GLU 13 Ca -0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1sju h GLU 13 Cb 0.49 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1sju h GLU 13 CO 0.10 0.00 -0.51 0.00 -1.18 0.00 0.00 179.01 177.42 1sju h ALA 14 N 1.11 0.00 -1.62 2.92 0.00 -1.20 -2.92 119.26 117.55 1sju h ALA 14 Ca 0.39 -0.50 0.49 0.00 0.00 0.00 0.00 54.91 55.28 1sju h ALA 14 Cb 2.04 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 20.24 1sju h ALA 14 CO -0.00 0.50 1.14 1.28 0.00 0.00 0.00 179.25 182.16 1sju n LEU 15 N -4.62 0.06 0.13 0.00 4.32 0.87 0.34 117.00 118.10 1sju n LEU 15 Ca -0.07 1.02 -0.10 0.00 -0.02 0.00 0.00 56.01 56.83 1sju n LEU 15 Cb 0.26 -0.50 -0.06 0.00 -1.62 0.00 0.00 43.42 41.50 1sju n LEU 15 CO 0.11 -1.05 0.35 0.22 -1.22 0.00 0.00 177.39 175.80 1sju h TYR 16 N 0.00 -0.37 0.00 -1.77 3.20 -0.92 -1.53 116.97 115.58 1sju h TYR 16 Ca 0.84 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.70 1sju h TYR 16 Cb 3.16 0.12 0.00 0.00 1.54 0.00 0.00 36.73 41.55 1sju h TYR 16 CO -0.00 -0.05 0.00 1.25 -1.64 0.00 0.00 178.16 177.72 1sju h LEU 17 N -0.97 0.00 -0.13 2.82 5.85 0.41 1.81 115.31 125.10 1sju h LEU 17 Ca -0.04 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.52 1sju h LEU 17 Cb 0.49 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1sju h LEU 17 CO 0.07 0.00 -0.56 0.58 -0.34 0.00 0.00 178.44 178.19 1sju h VAL 18 N 0.00 1.34 0.00 1.05 2.07 0.58 -3.39 116.25 117.90 1sju h VAL 18 Ca 0.00 -1.84 -0.31 0.00 0.82 0.00 0.00 66.70 65.37 1sju h VAL 18 Cb 0.41 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 1sju h VAL 18 CO 0.00 0.56 -1.99 0.00 0.02 0.00 0.00 177.57 176.16 1sju n GLY 20 N 1.67 2.15 0.00 0.00 0.00 0.61 -4.86 105.19 104.77 1sju n GLY 20 Ca -0.38 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1sju n GLY 20 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sju n GLU 21 N 0.00 0.00 0.00 1.61 0.28 -1.26 -4.70 120.64 116.57 1sju n GLU 21 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.09 1sju n GLU 21 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1sju n GLU 21 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1sju n ARG 22 N 0.00 1.46 0.00 3.44 3.00 -1.26 -4.99 116.66 118.31 1sju n ARG 22 Ca 0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 57.85 57.07 1sju n ARG 22 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.11 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 1.28 0.74 3.85 -0.13 0.00 -1.26 -4.84 105.19 104.83 1sju n GLY 23 Ca 0.07 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 1sju n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sju s PHE 24 N -0.97 3.49 0.00 1.61 -0.12 -1.26 -4.24 117.98 116.49 1sju s PHE 24 Ca 0.00 1.38 0.00 0.00 -0.05 0.00 0.00 56.93 58.26 1sju s PHE 24 Cb 0.00 -2.77 0.00 0.00 -0.63 0.00 0.00 43.02 39.62 1sju s PHE 24 CO 0.00 -0.64 0.00 1.19 -0.05 0.00 0.00 175.22 175.72 1sju n PHE 25 N -2.32 0.00 -1.22 3.49 3.72 -0.25 -4.84 117.46 116.03 1sju n PHE 25 Ca 0.06 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.39 1sju n PHE 25 Cb 0.54 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.05 1sju n PHE 25 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1sju n TYR 26 N 0.00 0.00 -3.87 1.38 9.36 -1.26 -4.91 117.16 117.86 1sju n TYR 26 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 1sju n TYR 26 Cb 0.00 -2.37 -0.13 0.00 -0.63 0.00 0.00 39.34 36.22 1sju n TYR 26 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1sju s THR 27 N -1.74 2.96 0.00 2.97 -1.32 -1.26 -4.63 115.64 112.62 1sju s THR 27 Ca 0.00 -2.78 0.00 0.00 -1.21 0.00 0.00 61.69 57.70 1sju s THR 27 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 1sju s THR 27 CO 0.00 -0.76 0.00 -0.90 -2.21 0.00 0.00 174.62 170.75 1sju n ASP 28 N 3.73 0.00 0.00 8.08 5.75 -1.26 -5.14 116.55 127.71 1sju n ASP 28 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1sju n ASP 28 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1sju n ASP 28 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sju n LYS 29 N 0.00 0.00 -1.25 0.11 5.02 -1.26 -4.89 118.16 115.89 1sju n LYS 29 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1sju n LYS 29 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1sju n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sju n GLY 30 N 0.00 0.91 0.00 0.72 0.00 -1.26 -4.45 105.19 101.11 1sju n GLY 30 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sju n GLY 30 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sju n ILE 31 N -2.33 0.00 0.44 -0.61 -0.00 -1.26 -4.84 119.36 110.75 1sju n ILE 31 Ca -0.09 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.77 1sju n ILE 31 Cb 0.49 0.00 0.46 0.00 -0.00 0.00 0.00 39.64 40.59 1sju n ILE 31 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1sju n VAL 32 N -1.11 0.83 0.68 1.39 0.31 -1.26 -1.80 118.33 117.37 1sju n VAL 32 Ca 0.00 0.19 0.13 0.00 -0.01 0.00 0.00 64.34 64.65 1sju n VAL 32 Cb 0.00 -1.08 0.47 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.10 0.17 0.00 5.55 2.13 -1.26 -1.99 120.64 123.15 1sju n GLU 33 Ca 0.03 0.19 0.04 0.00 0.66 0.00 0.00 57.16 58.08 1sju n GLU 33 Cb 0.24 -1.72 -0.02 0.00 0.27 0.00 0.00 31.44 30.21 1sju n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sju n GLN 34 N -2.02 2.90 -0.00 5.31 10.64 -0.75 -4.25 117.38 129.22 1sju n GLN 34 Ca 0.05 -0.36 0.06 0.00 -1.83 0.00 0.00 57.00 54.92 1sju n GLN 34 Cb 0.37 -0.99 -0.08 0.00 -0.86 0.00 0.00 30.24 28.68 1sju n GLN 34 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sju h THR 37 N -1.00 0.23 -1.29 0.00 1.03 -1.78 -3.35 112.91 106.75 1sju h THR 37 Ca -0.18 -1.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.21 1sju h THR 37 Cb 0.97 1.84 0.00 0.00 -1.07 0.00 0.00 68.15 69.88 1sju h THR 37 CO -0.11 0.11 0.00 -1.20 -0.01 0.00 0.00 175.52 174.31 1sju n SER 38 N -3.18 0.46 -4.89 0.00 7.64 -1.25 -4.98 113.62 107.43 1sju n SER 38 Ca 0.02 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.65 1sju n SER 38 Cb 0.46 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 1sju n SER 38 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sju s ILE 39 N 1.37 4.97 0.00 0.44 -1.09 -1.23 -4.25 121.20 121.41 1sju s ILE 39 Ca 0.00 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1sju s ILE 39 Cb 0.00 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1sju s ILE 39 CO 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 174.94 173.55 1sju s SER 41 N -0.90 1.72 0.29 0.00 0.15 -1.26 -4.98 113.70 108.73 1sju s SER 41 Ca 0.00 -2.42 0.21 0.00 0.70 0.00 0.00 55.95 54.44 1sju s SER 41 Cb 0.00 -0.10 0.96 0.00 -1.71 0.00 0.00 66.02 65.18 1sju s SER 41 CO 0.00 -0.23 1.00 -0.11 1.20 0.00 0.00 173.24 175.10 1sju n LEU 42 N 3.51 0.13 0.33 3.45 -0.00 -1.26 0.13 117.00 123.29 1sju n LEU 42 Ca 0.20 0.88 -0.13 0.00 -0.00 0.00 0.00 56.01 56.95 1sju n LEU 42 Cb 0.44 -0.43 -0.06 0.00 -0.00 0.00 0.00 43.42 43.37 1sju n LEU 42 CO 0.10 -0.95 0.47 0.22 -0.00 0.00 0.00 177.39 177.23 1sju h TYR 43 N 0.00 -0.79 0.03 1.96 3.20 -1.99 -0.24 116.97 119.14 1sju h TYR 43 Ca 0.57 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.42 1sju h TYR 43 Cb 1.85 0.26 0.00 0.00 1.54 0.00 0.00 36.73 40.38 1sju h TYR 43 CO -0.00 -0.49 -0.02 0.37 -1.64 0.00 0.00 178.16 176.38 1sju h GLN 44 N -0.93 -0.04 -0.98 1.82 4.15 0.59 -2.73 115.11 116.99 1sju h GLN 44 Ca -0.09 0.00 0.31 0.00 0.77 0.00 0.00 58.65 59.64 1sju h GLN 44 Cb 0.66 0.01 -0.15 0.00 0.21 0.00 0.00 27.48 28.21 1sju h GLN 44 CO 0.14 0.19 0.50 1.25 -1.93 0.00 0.00 178.83 178.98 1sju h LEU 45 N -0.27 0.40 -0.37 -2.39 6.46 -0.06 2.06 115.31 121.13 1sju h LEU 45 Ca -0.00 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1sju h LEU 45 Cb 0.25 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1sju h LEU 45 CO 0.01 -0.15 0.00 1.21 -0.62 0.00 0.00 178.44 178.89 1sju n GLU 46 N -5.10 0.05 -1.15 1.25 2.13 -0.10 -2.24 120.64 115.47 1sju n GLU 46 Ca 0.30 0.46 -0.27 0.00 0.66 0.00 0.00 57.16 58.30 1sju n GLU 46 Cb 0.93 -1.63 0.07 0.00 0.27 0.00 0.00 31.44 31.08 1sju n GLU 46 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1sju n ASN 47 N -1.74 6.87 -2.09 4.31 5.15 0.70 -4.36 115.26 124.09 1sju n ASN 47 Ca 0.01 -3.51 -0.16 0.00 -0.60 0.00 0.00 54.58 50.32 1sju n ASN 47 Cb 0.07 -0.98 0.04 0.00 -0.53 0.00 0.00 39.78 38.38 1sju n ASN 47 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1sju n TYR 48 N -0.51 2.16 -3.50 1.20 4.02 -0.95 -5.06 117.16 114.52 1sju n TYR 48 Ca 0.51 -2.11 -0.00 0.00 -0.01 0.00 0.00 57.90 56.28 1sju n TYR 48 Cb 0.72 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85