#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 4.39 -0.30 1.97 0.11 -1.26 -4.99 120.40 120.33 1sju s VAL 2 Ca 0.00 1.49 0.19 0.00 -2.93 0.00 0.00 61.98 60.73 1sju s VAL 2 Cb 0.00 -3.71 0.47 0.00 -1.53 0.00 0.00 36.38 31.61 1sju s VAL 2 CO 0.00 -0.16 1.11 -0.46 -3.33 0.00 0.00 175.10 172.26 1sju n ASN 3 N -0.24 0.97 0.00 3.54 0.23 -1.26 -4.85 115.26 113.65 1sju n ASN 3 Ca 0.05 -2.33 0.00 0.00 -0.53 0.00 0.00 54.58 51.77 1sju n ASN 3 Cb 0.53 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 1sju n ASN 3 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1sju n GLN 4 N -0.49 0.00 -3.64 -3.83 -0.06 -1.26 -4.76 117.38 103.35 1sju n GLN 4 Ca 0.05 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.98 1sju n GLN 4 Cb 0.82 -0.50 -0.07 0.00 -4.06 0.00 0.00 30.24 26.43 1sju n GLN 4 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 1sju s HIS 5 N -1.91 -0.69 -0.01 3.69 3.76 -1.26 -4.53 115.29 114.34 1sju s HIS 5 Ca 0.00 1.46 -0.02 0.00 -0.15 0.00 0.00 55.06 56.35 1sju s HIS 5 Cb 0.00 0.41 -0.01 0.00 1.11 0.00 0.00 32.58 34.10 1sju s HIS 5 CO 0.00 -0.34 -0.04 1.28 -0.85 0.00 0.00 174.74 174.79 1sju n LEU 6 N 3.40 0.38 -1.55 0.89 7.99 -1.07 -4.97 117.00 122.07 1sju n LEU 6 Ca -0.17 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 1sju n LEU 6 Cb 0.57 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 1sju n LEU 6 CO 0.01 -0.50 -0.37 0.00 -1.51 0.00 0.00 177.39 175.02 1sju n GLY 8 N 0.83 0.00 0.34 0.00 0.00 -1.26 0.14 105.19 105.23 1sju n GLY 8 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.06 -0.85 0.17 1.61 7.64 -1.26 0.10 113.62 120.96 1sju n SER 9 Ca 0.00 1.53 0.04 0.00 1.01 0.00 0.00 58.87 61.45 1sju n SER 9 Cb 0.00 -0.24 0.22 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.00 0.15 6.43 1.82 0.15 -1.14 116.42 123.83 1sju h ASP 10 Ca 0.13 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.79 1sju h ASP 10 Cb 0.33 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.30 1sju h ASP 10 CO -0.75 0.45 -0.39 0.25 -1.61 0.00 0.00 179.24 177.19 1sju h LEU 11 N 0.00 -1.14 0.14 2.28 7.12 0.31 0.18 115.31 124.20 1sju h LEU 11 Ca -0.00 0.12 -0.21 0.00 0.13 0.00 0.00 57.88 57.92 1sju h LEU 11 Cb 1.08 0.42 0.02 0.00 -0.53 0.00 0.00 40.66 41.65 1sju h LEU 11 CO 0.06 -0.48 -0.99 -0.37 -0.13 0.00 0.00 178.44 176.53 1sju h VAL 12 N -0.64 1.39 -1.19 1.05 -1.51 -1.09 -2.38 116.25 111.87 1sju h VAL 12 Ca 0.02 -2.51 0.35 0.00 -1.23 0.00 0.00 66.70 63.32 1sju h VAL 12 Cb 0.66 3.08 -0.05 0.00 -2.13 0.00 0.00 31.29 32.85 1sju h VAL 12 CO -0.21 0.72 0.98 -0.08 -1.23 0.00 0.00 177.57 177.74 1sju h GLU 13 N -0.34 0.00 0.00 5.19 4.57 -1.15 0.66 114.58 123.51 1sju h GLU 13 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1sju h GLU 13 Cb 1.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 1sju h GLU 13 CO 0.13 0.00 -0.20 0.00 -1.18 0.00 0.00 179.01 177.77 1sju h ALA 14 N 1.16 0.00 -1.76 2.92 0.00 -0.94 -2.55 119.26 118.10 1sju h ALA 14 Ca 0.57 -0.21 0.54 0.00 0.00 0.00 0.00 54.91 55.80 1sju h ALA 14 Cb 2.51 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 20.40 1sju h ALA 14 CO -0.01 0.20 1.23 1.28 0.00 0.00 0.00 179.25 181.95 1sju n LEU 15 N -4.42 0.07 0.13 0.00 4.32 0.13 0.34 117.00 117.58 1sju n LEU 15 Ca -0.03 1.13 -0.11 0.00 -0.02 0.00 0.00 56.01 56.98 1sju n LEU 15 Cb 0.10 -0.56 -0.07 0.00 -1.62 0.00 0.00 43.42 41.27 1sju n LEU 15 CO 0.04 -1.17 0.41 0.22 -1.22 0.00 0.00 177.39 175.67 1sju h TYR 16 N 0.00 -0.35 0.00 -1.77 3.20 0.14 0.22 116.97 118.41 1sju h TYR 16 Ca 0.91 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.77 1sju h TYR 16 Cb 3.43 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 41.81 1sju h TYR 16 CO -0.00 -0.00 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.42 1sju h LEU 17 N -0.91 0.00 -0.03 2.82 3.38 0.39 1.97 115.31 122.93 1sju h LEU 17 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1sju h LEU 17 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1sju h LEU 17 CO 0.06 0.03 -0.12 0.58 0.09 0.00 0.00 178.44 179.08 1sju h VAL 18 N 0.00 1.47 0.00 1.22 2.07 0.61 -3.43 116.25 118.19 1sju h VAL 18 Ca -0.00 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1sju h VAL 18 Cb 0.25 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1sju h VAL 18 CO 0.00 0.42 -0.43 0.00 0.02 0.00 0.00 177.57 177.58 1sju n GLY 20 N 2.29 -0.39 2.02 0.00 0.00 0.66 -4.70 105.19 105.07 1sju n GLY 20 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1sju n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sju n GLU 21 N -2.52 0.00 -0.75 1.61 1.02 -1.26 -4.89 120.64 113.85 1sju n GLU 21 Ca -0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.06 1sju n GLU 21 Cb 0.25 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.90 1sju n GLU 21 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sju n ARG 22 N -3.34 2.51 -2.19 3.49 1.74 -1.26 -5.02 116.66 112.58 1sju n ARG 22 Ca 0.00 -3.04 -0.00 0.00 -0.77 0.00 0.00 57.85 54.04 1sju n ARG 22 Cb 0.00 -1.91 -0.00 0.00 -1.02 0.00 0.00 32.46 29.52 1sju n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sju n GLY 23 N -0.78 -5.43 3.36 -0.13 0.00 -1.26 -4.70 105.19 96.25 1sju n GLY 23 Ca 0.33 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 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 1.58 -2.03 0.00 1.61 1.16 -1.26 -4.22 117.46 114.30 1sju n PHE 24 Ca -0.03 -0.31 0.00 0.00 -1.87 0.00 0.00 57.45 55.24 1sju n PHE 24 Cb 0.05 -1.57 0.00 0.00 -1.61 0.00 0.00 39.48 36.34 1sju n PHE 24 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1sju n PHE 25 N -5.18 0.00 -0.25 2.97 3.72 0.78 -4.83 117.46 114.67 1sju n PHE 25 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1sju n PHE 25 Cb 0.56 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.87 0.00 -3.06 1.38 9.36 -1.25 -4.98 117.16 117.74 1sju n TYR 26 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1sju n TYR 26 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1sju n TYR 26 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1sju n THR 27 N -2.00 0.00 0.00 2.97 5.66 -1.26 -4.80 114.28 114.85 1sju n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1sju n THR 27 Cb 0.00 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 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 -1.04 0.00 -2.80 1.09 8.00 -1.26 -4.79 116.55 115.75 1sju n ASP 28 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1sju n ASP 28 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.18 1sju n ASP 28 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1sju n LYS 29 N 0.00 -1.14 -2.24 -1.24 4.81 -1.26 -5.01 118.16 112.08 1sju n LYS 29 Ca 0.00 -0.70 -0.11 0.00 -0.87 0.00 0.00 58.31 56.63 1sju n LYS 29 Cb 0.00 -0.55 0.04 0.00 0.02 0.00 0.00 35.03 34.54 1sju n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sju n GLY 30 N 0.80 4.11 0.00 3.14 0.00 -1.26 -5.08 105.19 106.91 1sju n GLY 30 Ca 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1sju n GLY 30 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sju n ILE 31 N -0.62 0.00 0.00 -0.61 -5.35 -1.26 -4.18 119.36 107.34 1sju n ILE 31 Ca 0.25 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.73 1sju n ILE 31 Cb 0.89 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1sju n ILE 31 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1sju n VAL 32 N -2.78 0.00 0.52 7.28 3.14 -1.26 -4.74 118.33 120.49 1sju n VAL 32 Ca 0.00 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.49 1sju n VAL 32 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1sju n VAL 32 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1sju n GLU 33 N -1.60 0.31 -0.03 1.45 2.13 -1.26 -4.19 120.64 117.46 1sju n GLU 33 Ca 0.00 -0.07 0.01 0.00 0.66 0.00 0.00 57.16 57.76 1sju n GLU 33 Cb 0.00 -1.53 0.03 0.00 0.27 0.00 0.00 31.44 30.20 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 -1.90 1.75 -0.13 5.31 10.64 -1.26 -4.54 117.38 127.25 1sju n GLN 34 Ca 0.01 -1.30 0.04 0.00 -1.83 0.00 0.00 57.00 53.91 1sju n GLN 34 Cb 0.44 -1.06 0.11 0.00 -0.86 0.00 0.00 30.24 28.88 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 -1.06 1.46 -3.67 0.00 -2.24 -1.26 -4.71 114.28 102.82 1sju n THR 37 Ca 0.00 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.02 1sju n THR 37 Cb 0.00 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1sju n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sju n SER 38 N -3.14 1.82 -4.52 3.42 7.64 -1.26 -5.07 113.62 112.51 1sju n SER 38 Ca -0.43 -1.91 -0.43 0.00 1.01 0.00 0.00 58.87 57.11 1sju n SER 38 Cb 1.03 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 64.13 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 -1.30 4.90 0.00 0.44 -1.09 -1.26 -4.67 121.20 118.22 1sju s ILE 39 Ca 0.16 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1sju s ILE 39 Cb -0.01 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1sju s ILE 39 CO 0.10 -0.51 0.00 0.00 -1.23 0.00 0.00 174.94 173.30 1sju s SER 41 N -2.00 -1.51 0.30 0.00 0.15 -1.26 -4.97 113.70 104.41 1sju s SER 41 Ca 0.00 0.21 0.27 0.00 0.70 0.00 0.00 55.95 57.13 1sju s SER 41 Cb 0.00 1.97 0.96 0.00 -1.71 0.00 0.00 66.02 67.24 1sju s SER 41 CO 0.00 -0.28 0.89 0.00 1.20 0.00 0.00 173.24 175.05 1sju n LEU 42 N 5.39 0.02 0.17 3.45 -0.00 -1.26 -0.06 117.00 124.71 1sju n LEU 42 Ca 0.05 0.61 -0.12 0.00 -0.00 0.00 0.00 56.01 56.55 1sju n LEU 42 Cb 0.54 -0.30 -0.07 0.00 -0.00 0.00 0.00 43.42 43.59 1sju n LEU 42 CO -0.07 -0.62 0.51 0.22 -0.00 0.00 0.00 177.39 177.44 1sju h TYR 43 N 0.00 -0.97 -0.46 1.47 3.20 -1.97 2.39 116.97 120.62 1sju h TYR 43 Ca 0.53 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.38 1sju h TYR 43 Cb 2.05 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 40.69 1sju h TYR 43 CO -0.00 -0.44 0.16 0.37 -1.64 0.00 0.00 178.16 176.61 1sju h GLN 44 N -0.64 0.71 -0.50 1.82 4.15 -0.89 -2.51 115.11 117.24 1sju h GLN 44 Ca -0.03 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 1sju h GLN 44 Cb 0.57 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1sju h GLN 44 CO -0.08 0.66 0.16 1.25 -1.93 0.00 0.00 178.83 178.89 1sju h LEU 45 N 0.61 0.68 -0.39 -2.39 6.46 -1.25 -0.22 115.31 118.81 1sju h LEU 45 Ca 0.15 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1sju h LEU 45 Cb 0.23 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1sju h LEU 45 CO -0.01 0.64 0.00 -0.62 -0.62 0.00 0.00 178.44 177.83 1sju n GLU 46 N -4.32 0.06 -1.36 1.25 -0.58 0.80 -2.23 120.64 114.26 1sju n GLU 46 Ca 0.04 0.43 -0.34 0.00 -0.42 0.00 0.00 57.16 56.87 1sju n GLU 46 Cb 0.18 -1.65 0.08 0.00 -0.57 0.00 0.00 31.44 29.48 1sju n GLU 46 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1sju n ASN 47 N -1.78 7.31 -0.19 1.62 2.85 -0.09 -4.15 115.26 120.82 1sju n ASN 47 Ca 0.01 -3.78 0.01 0.00 -0.11 0.00 0.00 54.58 50.71 1sju n ASN 47 Cb 0.11 -0.93 0.01 0.00 1.24 0.00 0.00 39.78 40.20 1sju n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1sju n TYR 48 N -0.92 0.00 -4.32 1.20 4.01 -0.95 -5.07 117.16 111.11 1sju n TYR 48 Ca 0.62 -0.10 -0.18 0.00 -0.16 0.00 0.00 57.90 58.07 1sju n TYR 48 Cb 0.74 -0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.63 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40