#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 4.33 -0.36 -2.13 1.01 -1.26 -5.04 120.40 116.95 1sju s VAL 2 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1sju s VAL 2 Cb 0.00 -3.54 0.31 0.00 0.00 0.00 0.00 36.38 33.16 1sju s VAL 2 CO 0.00 -0.27 1.30 -0.46 0.00 0.00 0.00 175.10 175.67 1sju n ASN 3 N -1.74 -1.64 -3.34 3.32 0.23 -1.26 -4.80 115.26 106.02 1sju n ASN 3 Ca -0.02 -2.22 -0.12 0.00 -0.53 0.00 0.00 54.58 51.69 1sju n ASN 3 Cb 0.58 0.95 -0.07 0.00 -2.08 0.00 0.00 39.78 39.15 1sju n ASN 3 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1sju s GLN 4 N 0.15 0.37 0.16 -3.83 -0.21 -1.26 -4.79 119.66 110.25 1sju s GLN 4 Ca 0.16 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.58 1sju s GLN 4 Cb 0.33 -0.46 0.00 0.00 1.00 0.00 0.00 33.01 33.88 1sju s GLN 4 CO -0.08 -1.01 0.00 0.72 -2.12 0.00 0.00 175.29 172.80 1sju n HIS 5 N 5.34 -4.93 0.05 0.91 8.25 -1.25 -5.03 115.22 118.56 1sju n HIS 5 Ca -0.01 2.97 0.00 0.00 -0.26 0.00 0.00 57.72 60.42 1sju n HIS 5 Cb 0.48 -3.73 0.00 0.00 1.12 0.00 0.00 29.99 27.86 1sju n HIS 5 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1sju n LEU 6 N 1.88 0.82 -1.32 2.41 7.94 -1.08 -5.01 117.00 122.64 1sju n LEU 6 Ca 0.00 0.14 0.03 0.00 -1.11 0.00 0.00 56.01 55.08 1sju n LEU 6 Cb 0.00 -0.22 -0.02 0.00 0.53 0.00 0.00 43.42 43.71 1sju n LEU 6 CO 0.00 -0.63 -0.45 0.00 -1.11 0.00 0.00 177.39 175.20 1sju n GLY 8 N -2.81 -1.28 0.00 0.00 0.00 -1.26 0.21 105.19 100.05 1sju n GLY 8 Ca -0.02 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1sju n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sju n SER 9 N -5.05 0.00 0.00 1.61 3.41 -1.26 -0.88 113.62 111.45 1sju n SER 9 Ca 0.09 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 1sju n SER 9 Cb 0.30 -0.09 0.46 0.00 -0.26 0.00 0.00 64.21 64.62 1sju n SER 9 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sju n ASP 10 N -1.25 0.00 -0.04 4.04 8.00 -0.68 -2.49 116.55 124.13 1sju n ASP 10 Ca 0.00 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.51 1sju n ASP 10 Cb 0.00 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 40.67 1sju n ASP 10 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1sju h LEU 11 N 0.00 0.36 0.10 0.64 3.38 0.42 -2.59 115.31 117.62 1sju h LEU 11 Ca 0.00 -0.58 -0.30 0.00 0.09 0.00 0.00 57.88 57.09 1sju h LEU 11 Cb 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1sju h LEU 11 CO 0.00 0.87 -1.53 -0.37 0.09 0.00 0.00 178.44 177.50 1sju h VAL 12 N -0.14 1.15 -0.01 1.22 -1.51 -0.95 -2.81 116.25 113.20 1sju h VAL 12 Ca -0.00 -2.81 0.00 0.00 -1.23 0.00 0.00 66.70 62.66 1sju h VAL 12 Cb 0.82 2.74 -0.00 0.00 -2.13 0.00 0.00 31.29 32.71 1sju h VAL 12 CO 0.05 0.81 0.01 -0.08 -1.23 0.00 0.00 177.57 177.12 1sju h GLU 13 N 0.06 0.00 0.00 5.19 4.81 -1.57 -1.29 114.58 121.77 1sju h GLU 13 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1sju h GLU 13 Cb 2.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.38 1sju h GLU 13 CO 0.15 0.00 -0.37 0.00 -0.73 0.00 0.00 179.01 178.06 1sju h ALA 14 N 1.99 0.00 -1.84 2.92 0.00 -1.49 -2.88 119.26 117.96 1sju h ALA 14 Ca 0.00 -0.38 0.55 0.00 0.00 0.00 0.00 54.91 55.08 1sju h ALA 14 Cb 0.02 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1sju h ALA 14 CO -0.00 0.37 1.30 1.28 0.00 0.00 0.00 179.25 182.21 1sju n LEU 15 N -4.58 0.04 0.09 0.00 4.77 -1.06 0.33 117.00 116.58 1sju n LEU 15 Ca -0.05 1.04 -0.12 0.00 -0.03 0.00 0.00 56.01 56.85 1sju n LEU 15 Cb 0.19 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 1sju n LEU 15 CO 0.08 -1.06 0.46 0.22 -1.33 0.00 0.00 177.39 175.76 1sju h TYR 16 N 0.00 -0.26 0.00 -1.77 3.20 -1.33 0.80 116.97 117.61 1sju h TYR 16 Ca 0.91 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.73 1sju h TYR 16 Cb 3.54 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 41.89 1sju h TYR 16 CO -0.00 0.14 -0.21 1.25 -1.64 0.00 0.00 178.16 177.69 1sju h LEU 17 N -0.80 0.00 -0.01 2.82 7.12 0.46 2.55 115.31 127.44 1sju h LEU 17 Ca -0.03 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.72 1sju h LEU 17 Cb 0.51 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.65 1sju h LEU 17 CO 0.05 0.21 -1.11 0.58 -0.13 0.00 0.00 178.44 178.04 1sju h VAL 18 N 0.00 1.40 0.00 1.05 2.07 0.54 -3.41 116.25 117.90 1sju h VAL 18 Ca -0.00 -2.64 -0.23 0.00 0.82 0.00 0.00 66.70 64.65 1sju h VAL 18 Cb 0.65 2.65 -0.15 0.00 -1.52 0.00 0.00 31.29 32.92 1sju h VAL 18 CO 0.03 0.79 -0.39 0.00 0.02 0.00 0.00 177.57 178.02 1sju n GLY 20 N 0.17 -0.92 0.34 0.00 0.00 0.85 -2.77 105.19 102.86 1sju n GLY 20 Ca 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 1sju n GLY 20 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sju h GLU 21 N 0.00 -0.24 -0.11 1.61 4.57 -1.90 -2.73 114.58 115.78 1sju h GLU 21 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1sju h GLU 21 Cb 0.21 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1sju h GLU 21 CO 0.00 -0.16 0.00 -2.13 -1.18 0.00 0.00 179.01 175.54 1sju n ARG 22 N -5.42 2.66 0.00 1.92 0.63 -1.23 -5.10 116.66 110.12 1sju n ARG 22 Ca 0.01 -1.95 0.00 0.00 -0.92 0.00 0.00 57.85 54.99 1sju n ARG 22 Cb 0.34 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.02 1sju n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sju n GLY 23 N -0.42 0.04 3.45 5.14 0.00 -1.03 -4.87 105.19 107.49 1sju n GLY 23 Ca 0.08 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 -0.55 -0.17 1.61 -0.12 -1.26 -4.13 117.98 113.35 1sju s PHE 24 Ca 0.00 0.71 -0.11 0.00 -0.05 0.00 0.00 56.93 57.48 1sju s PHE 24 Cb 0.00 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 1sju s PHE 24 CO 0.00 -0.68 0.19 -0.06 -0.05 0.00 0.00 175.22 174.62 1sju s PHE 25 N -2.24 3.45 -0.85 3.49 0.40 0.05 -4.97 117.98 117.32 1sju s PHE 25 Ca -0.06 0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.72 1sju s PHE 25 Cb -0.01 -2.20 0.23 0.00 0.51 0.00 0.00 43.02 41.55 1sju s PHE 25 CO 0.00 0.33 0.81 0.66 0.70 0.00 0.00 175.22 177.72 1sju n TYR 26 N 3.34 3.78 0.00 0.36 4.01 -1.26 -4.77 117.16 122.63 1sju n TYR 26 Ca -0.15 -4.01 0.00 0.00 -0.16 0.00 0.00 57.90 53.58 1sju n TYR 26 Cb 0.52 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 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 1.88 0.00 0.00 -0.72 5.66 -1.26 -5.04 114.28 114.80 1sju n THR 27 Ca 0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 1sju n THR 27 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1sju n THR 27 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1sju n ASP 28 N 0.00 0.00 -1.17 1.09 5.68 -1.26 -4.49 116.55 116.40 1sju n ASP 28 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1sju n ASP 28 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1sju n ASP 28 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1sju n LYS 29 N 0.00 0.38 -0.15 0.11 4.81 -1.26 -5.01 118.16 117.04 1sju n LYS 29 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1sju n LYS 29 Cb 0.00 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.14 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 0.95 0.67 0.41 3.14 0.00 -1.26 -4.21 105.19 104.87 1sju n GLY 30 Ca 0.00 -0.22 0.18 0.00 0.00 0.00 0.00 46.02 45.98 1sju n GLY 30 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sju h ILE 31 N 1.11 0.14 0.00 -0.61 6.09 -1.95 2.21 117.51 124.50 1sju h ILE 31 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1sju h ILE 31 Cb 0.50 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.19 1sju h ILE 31 CO 0.05 0.00 0.00 0.52 -3.07 0.00 0.00 178.15 175.65 1sju n VAL 32 N -3.24 0.11 0.22 2.19 0.31 -1.26 -2.95 118.33 113.72 1sju n VAL 32 Ca 0.08 0.03 0.12 0.00 -0.01 0.00 0.00 64.34 64.56 1sju n VAL 32 Cb 0.85 -0.57 0.20 0.00 -0.91 0.00 0.00 33.84 33.41 1sju n VAL 32 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1sju h GLU 33 N 0.00 0.00 0.02 5.55 4.11 0.34 -3.27 114.58 121.33 1sju h GLU 33 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.13 1sju h GLU 33 Cb 0.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1sju h GLU 33 CO 0.00 0.04 -1.75 0.00 0.07 0.00 0.00 179.01 177.36 1sju n GLN 34 N -3.11 0.65 0.29 1.06 10.64 -1.15 -3.79 117.38 121.97 1sju n GLN 34 Ca 0.04 0.29 0.17 0.00 -1.83 0.00 0.00 57.00 55.67 1sju n GLN 34 Cb 0.53 -1.78 0.87 0.00 -0.86 0.00 0.00 30.24 29.00 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 -3.29 1.35 -2.87 0.00 5.66 0.15 -4.46 114.28 110.83 1sju n THR 37 Ca -0.07 -1.23 0.00 0.00 -3.05 0.00 0.00 64.05 59.70 1sju n THR 37 Cb 0.99 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 1sju n THR 37 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1sju n SER 38 N 0.29 0.64 -3.68 1.09 2.88 0.49 -5.05 113.62 110.28 1sju n SER 38 Ca 0.15 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.39 1sju n SER 38 Cb 0.56 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.87 1sju n SER 38 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1sju s ILE 39 N -0.05 0.56 0.25 2.46 -1.09 -1.26 -3.75 121.20 118.32 1sju s ILE 39 Ca 0.00 -1.10 0.11 0.00 -2.23 0.00 0.00 60.65 57.42 1sju s ILE 39 Cb 0.00 -1.39 -0.05 0.00 -1.58 0.00 0.00 42.46 39.45 1sju s ILE 39 CO 0.00 -0.63 -0.12 0.00 -1.23 0.00 0.00 174.94 172.96 1sju n SER 41 N -0.53 0.00 -0.02 0.00 7.64 -1.26 -4.68 113.62 114.77 1sju n SER 41 Ca -0.07 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.80 1sju n SER 41 Cb 0.59 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1sju n SER 41 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sju h LEU 42 N 0.00 0.00 -0.31 -3.43 3.38 -1.97 -2.97 115.31 110.02 1sju h LEU 42 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1sju h LEU 42 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1sju h LEU 42 CO 0.00 0.21 -0.18 0.00 0.09 0.00 0.00 178.44 178.56 1sju n TYR 43 N -3.03 -0.13 -0.29 1.13 9.36 -1.26 0.30 117.16 123.24 1sju n TYR 43 Ca -0.01 0.38 0.03 0.00 3.32 0.00 0.00 57.90 61.62 1sju n TYR 43 Cb 0.04 -0.47 0.17 0.00 -0.63 0.00 0.00 39.34 38.45 1sju n TYR 43 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1sju h GLN 44 N 0.00 0.74 -0.26 2.98 1.08 -1.96 -0.96 115.11 116.73 1sju h GLN 44 Ca 0.05 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1sju h GLN 44 Cb 0.13 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1sju h GLN 44 CO -0.29 0.49 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.90 1sju h LEU 45 N 0.76 0.55 0.00 1.46 3.38 0.50 -2.32 115.31 119.64 1sju h LEU 45 Ca 0.40 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sju h LEU 45 Cb 0.39 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1sju h LEU 45 CO -0.26 0.82 0.00 -0.62 0.09 0.00 0.00 178.44 178.48 1sju n GLU 46 N -4.48 0.05 -0.09 1.13 1.02 0.89 -1.58 120.64 117.58 1sju n GLU 46 Ca -0.04 0.29 0.08 0.00 -0.02 0.00 0.00 57.16 57.48 1sju n GLU 46 Cb 0.34 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.58 1sju n GLU 46 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1sju n ASN 47 N -1.40 1.37 0.00 1.62 2.85 -0.45 -3.59 115.26 115.65 1sju n ASN 47 Ca 0.03 -1.76 0.00 0.00 -0.11 0.00 0.00 54.58 52.74 1sju n ASN 47 Cb 0.08 -0.12 0.00 0.00 1.24 0.00 0.00 39.78 40.99 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 0.16 0.00 -4.44 1.20 4.01 -0.62 -5.07 117.16 112.40 1sju n TYR 48 Ca 0.14 -0.01 -0.24 0.00 -0.16 0.00 0.00 57.90 57.63 1sju n TYR 48 Cb 0.26 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.21 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40