#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 -2.34 1.97 3.14 -1.26 -5.08 118.33 114.76 1sju n VAL 2 Ca 0.00 -0.58 -0.01 0.00 -2.96 0.00 0.00 64.34 60.80 1sju n VAL 2 Cb 0.00 0.56 0.02 0.00 -1.06 0.00 0.00 33.84 33.36 1sju n VAL 2 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1sju n ASN 3 N -1.32 -0.30 -3.50 6.55 3.02 -1.26 -4.74 115.26 113.71 1sju n ASN 3 Ca -0.05 -1.09 -0.29 0.00 -0.03 0.00 0.00 54.58 53.13 1sju n ASN 3 Cb 0.34 0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.52 1sju n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sju s GLN 4 N 0.02 0.68 0.17 3.52 -2.07 -1.26 -4.91 119.66 115.81 1sju s GLN 4 Ca 0.02 -1.47 0.00 0.00 -1.82 0.00 0.00 55.36 52.08 1sju s GLN 4 Cb 0.08 -1.47 0.00 0.00 -1.09 0.00 0.00 33.01 30.52 1sju s GLN 4 CO -0.02 -1.21 0.00 0.72 -1.32 0.00 0.00 175.29 173.46 1sju n HIS 5 N 3.91 -4.50 0.00 9.60 8.25 -1.26 -5.03 115.22 126.19 1sju n HIS 5 Ca 0.12 2.71 0.00 0.00 -0.26 0.00 0.00 57.72 60.29 1sju n HIS 5 Cb 0.37 -3.56 0.00 0.00 1.12 0.00 0.00 29.99 27.92 1sju n HIS 5 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sju n LEU 6 N 1.71 0.00 -2.13 2.41 7.99 -1.08 -4.93 117.00 120.97 1sju n LEU 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1sju n LEU 6 Cb 0.00 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1sju n LEU 6 CO 0.00 -0.50 -0.46 0.00 -1.51 0.00 0.00 177.39 174.92 1sju n GLY 8 N 1.95 0.00 0.00 0.00 0.00 -1.26 -0.25 105.19 105.63 1sju n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -0.02 1.61 7.64 -1.26 0.28 113.62 121.86 1sju n SER 9 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1sju n SER 9 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1sju n SER 9 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sju n ASP 10 N -3.62 2.08 0.20 6.43 8.00 0.65 -1.17 116.55 129.11 1sju n ASP 10 Ca 0.00 0.23 0.06 0.00 0.71 0.00 0.00 54.79 55.80 1sju n ASP 10 Cb 0.00 -0.86 0.56 0.00 -0.02 0.00 0.00 41.12 40.79 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 -0.12 0.10 0.00 0.64 3.38 0.39 -2.16 115.31 117.54 1sju h LEU 11 Ca -0.42 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 1sju h LEU 11 Cb 1.90 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1sju h LEU 11 CO 0.02 0.13 -1.18 0.52 0.09 0.00 0.00 178.44 178.02 1sju n VAL 12 N -4.47 1.49 -0.00 1.22 0.31 0.79 -2.71 118.33 114.95 1sju n VAL 12 Ca -0.02 0.03 0.22 0.00 -0.01 0.00 0.00 64.34 64.56 1sju n VAL 12 Cb 0.13 -2.20 0.59 0.00 -0.91 0.00 0.00 33.84 31.46 1sju n VAL 12 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1sju h GLU 13 N -1.00 0.00 0.00 5.55 -0.00 -1.17 0.14 114.58 118.10 1sju h GLU 13 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.14 1sju h GLU 13 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.78 1sju h GLU 13 CO -0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 179.01 178.70 1sju h ALA 14 N 1.02 0.00 -1.63 1.06 0.00 -1.54 -2.82 119.26 115.35 1sju h ALA 14 Ca 0.29 -0.30 0.49 0.00 0.00 0.00 0.00 54.91 55.39 1sju h ALA 14 Cb 1.85 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.73 1sju h ALA 14 CO -0.00 0.18 1.15 1.28 0.00 0.00 0.00 179.25 181.86 1sju n LEU 15 N -3.23 0.04 -0.01 0.00 4.32 -0.74 0.33 117.00 117.70 1sju n LEU 15 Ca -0.02 0.94 -0.11 0.00 -0.02 0.00 0.00 56.01 56.80 1sju n LEU 15 Cb 0.09 -0.47 -0.09 0.00 -1.62 0.00 0.00 43.42 41.33 1sju n LEU 15 CO 0.04 -0.97 0.39 0.22 -1.22 0.00 0.00 177.39 175.85 1sju h TYR 16 N 0.00 -0.08 0.00 -1.77 3.20 -0.87 -2.87 116.97 114.58 1sju h TYR 16 Ca 0.81 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.57 1sju h TYR 16 Cb 3.14 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 41.42 1sju h TYR 16 CO -0.00 0.51 -0.54 1.25 -1.64 0.00 0.00 178.16 177.74 1sju h LEU 17 N -0.87 0.00 -1.10 2.82 7.12 0.30 2.32 115.31 125.89 1sju h LEU 17 Ca -0.01 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.06 1sju h LEU 17 Cb 0.63 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.69 1sju h LEU 17 CO 0.01 0.54 0.61 0.58 -0.13 0.00 0.00 178.44 180.05 1sju h VAL 18 N 0.00 1.08 -0.15 1.05 2.07 0.53 -2.28 116.25 118.55 1sju h VAL 18 Ca -0.01 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1sju h VAL 18 Cb 0.98 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1sju h VAL 18 CO 0.07 0.20 -0.08 0.00 0.02 0.00 0.00 177.57 177.78 1sju n GLY 20 N -1.04 0.92 2.79 0.00 0.00 0.32 -2.44 105.19 105.74 1sju n GLY 20 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1sju n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sju n GLU 21 N -2.40 -1.50 -0.54 1.61 2.13 0.76 -4.92 120.64 115.78 1sju n GLU 21 Ca -0.18 0.84 0.08 0.00 0.66 0.00 0.00 57.16 58.56 1sju n GLU 21 Cb 0.59 -4.80 0.29 0.00 0.27 0.00 0.00 31.44 27.80 1sju n GLU 21 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1sju n ARG 22 N -2.45 3.42 -1.01 5.31 5.12 -1.02 -4.99 116.66 121.04 1sju n ARG 22 Ca -0.04 -2.85 0.00 0.00 -1.93 0.00 0.00 57.85 53.03 1sju n ARG 22 Cb 0.56 -1.90 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1sju n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sju n GLY 23 N -0.06 -1.95 3.96 -0.13 0.00 -1.26 -4.62 105.19 101.13 1sju n GLY 23 Ca 0.22 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 2.99 -0.46 1.61 -0.12 -1.26 -3.56 117.98 117.17 1sju s PHE 24 Ca 0.00 -0.29 0.04 0.00 -0.05 0.00 0.00 56.93 56.63 1sju s PHE 24 Cb 0.00 -2.03 0.57 0.00 -0.63 0.00 0.00 43.02 40.94 1sju s PHE 24 CO 0.00 -0.04 1.81 0.34 -0.05 0.00 0.00 175.22 177.28 1sju n PHE 25 N -1.61 2.67 -1.86 3.49 -0.00 -0.87 -4.94 117.46 114.34 1sju n PHE 25 Ca 0.01 -2.09 -0.32 0.00 -0.00 0.00 0.00 57.45 55.04 1sju n PHE 25 Cb 0.59 -0.93 -0.04 0.00 -0.00 0.00 0.00 39.48 39.09 1sju n PHE 25 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 1sju s TYR 26 N -3.43 1.48 0.00 -5.13 5.04 -1.26 -4.82 117.35 109.23 1sju s TYR 26 Ca 0.56 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 1sju s TYR 26 Cb 0.47 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.90 1sju s TYR 26 CO 0.05 -2.16 0.00 2.41 -1.34 0.00 0.00 175.55 174.52 1sju n THR 27 N 7.74 0.00 -0.86 4.34 -1.04 -1.26 -5.10 114.28 118.10 1sju n THR 27 Ca 0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1sju n THR 27 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1sju n THR 27 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1sju n ASP 28 N 0.00 0.00 -2.67 8.00 9.92 -1.26 -4.41 116.55 126.13 1sju n ASP 28 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 1sju n ASP 28 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1sju n ASP 28 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1sju n LYS 29 N 14.00 0.91 -0.60 -1.24 -0.00 -1.26 -4.83 118.16 125.13 1sju n LYS 29 Ca 0.00 -1.46 -0.07 0.00 -0.00 0.00 0.00 58.31 56.78 1sju n LYS 29 Cb 0.00 -0.01 0.15 0.00 -0.00 0.00 0.00 35.03 35.16 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 -0.60 2.97 0.00 2.58 0.00 -1.26 -4.25 105.19 104.62 1sju n GLY 30 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.12 0.00 0.22 -0.61 0.00 -1.26 -4.95 119.36 112.65 1sju n ILE 31 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 62.75 63.13 1sju n ILE 31 Cb 1.00 0.00 0.35 0.00 0.00 0.00 0.00 39.64 40.99 1sju n ILE 31 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1sju h VAL 32 N 0.00 0.25 0.00 9.51 -1.51 -1.88 -0.66 116.25 121.96 1sju h VAL 32 Ca 0.00 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1sju h VAL 32 Cb 0.00 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1sju h VAL 32 CO 0.00 0.12 0.00 -0.62 -1.23 0.00 0.00 177.57 175.84 1sju n GLU 33 N -3.18 0.11 -0.00 5.19 1.02 -1.26 -3.41 120.64 119.12 1sju n GLU 33 Ca 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 1sju n GLU 33 Cb 0.48 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1sju n GLU 33 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sju n GLN 34 N -1.44 3.75 0.15 3.49 6.02 -0.97 -4.51 117.38 123.87 1sju n GLN 34 Ca 0.09 -0.01 0.07 0.00 -0.01 0.00 0.00 57.00 57.14 1sju n GLN 34 Cb 0.31 -0.79 0.06 0.00 1.02 0.00 0.00 30.24 30.84 1sju n GLN 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sju n THR 37 N -1.83 0.05 -4.44 0.00 5.66 -1.21 -4.71 114.28 107.80 1sju n THR 37 Ca 0.04 -0.11 -0.23 0.00 -3.05 0.00 0.00 64.05 60.70 1sju n THR 37 Cb 0.39 0.16 -0.09 0.00 -1.55 0.00 0.00 70.33 69.25 1sju n THR 37 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1sju s SER 38 N -2.69 2.32 -0.28 1.09 0.01 0.11 -5.04 113.70 109.22 1sju s SER 38 Ca -0.02 -1.62 -0.11 0.00 1.31 0.00 0.00 55.95 55.51 1sju s SER 38 Cb 0.02 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 1sju s SER 38 CO 0.18 -0.90 0.18 -0.63 0.41 0.00 0.00 173.24 172.48 1sju s ILE 39 N -3.35 5.26 0.00 1.44 -1.09 -1.26 -4.29 121.20 117.91 1sju s ILE 39 Ca 0.30 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1sju s ILE 39 Cb 0.04 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1sju s ILE 39 CO 0.16 0.26 0.00 0.00 -1.23 0.00 0.00 174.94 174.13 1sju s SER 41 N -1.00 -1.55 0.09 0.00 1.04 -1.26 -5.02 113.70 106.00 1sju s SER 41 Ca 0.00 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1sju s SER 41 Cb 0.00 1.97 0.28 0.00 0.10 0.00 0.00 66.02 68.37 1sju s SER 41 CO 0.00 -0.26 0.40 -0.11 0.98 0.00 0.00 173.24 174.26 1sju n LEU 42 N 5.14 0.04 0.17 2.42 0.00 -1.26 0.27 117.00 123.77 1sju n LEU 42 Ca 0.07 0.43 -0.14 0.00 0.00 0.00 0.00 56.01 56.36 1sju n LEU 42 Cb 0.55 -0.19 -0.08 0.00 0.00 0.00 0.00 43.42 43.70 1sju n LEU 42 CO -0.05 -0.46 0.75 0.22 0.00 0.00 0.00 177.39 177.85 1sju h TYR 43 N 0.00 -0.35 -0.31 1.96 3.20 -1.98 -1.05 116.97 118.44 1sju h TYR 43 Ca 0.19 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1sju h TYR 43 Cb 0.47 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1sju h TYR 43 CO -0.05 -0.18 0.21 0.37 -1.64 0.00 0.00 178.16 176.86 1sju h GLN 44 N -0.42 0.28 -0.42 1.82 4.15 0.33 -1.32 115.11 119.52 1sju h GLN 44 Ca -0.04 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1sju h GLN 44 Cb 0.32 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1sju h GLN 44 CO 0.06 0.18 -0.28 1.25 -1.93 0.00 0.00 178.83 178.12 1sju h LEU 45 N 0.29 0.93 -1.70 -2.39 6.46 -0.86 -2.50 115.31 115.54 1sju h LEU 45 Ca 0.13 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1sju h LEU 45 Cb 0.15 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1sju h LEU 45 CO -0.03 1.15 0.24 -0.33 -0.62 0.00 0.00 178.44 178.86 1sju h GLU 46 N 0.76 0.00 -1.58 1.25 4.39 0.00 -2.03 114.58 117.37 1sju h GLU 46 Ca 0.09 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.34 1sju h GLU 46 Cb 0.85 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.32 1sju h GLU 46 CO 0.07 0.00 0.51 -1.71 -1.16 0.00 0.00 179.01 176.73 1sju n ASN 47 N -2.58 6.72 -2.07 1.42 5.15 -0.94 -4.26 115.26 118.70 1sju n ASN 47 Ca -0.02 -3.25 -0.03 0.00 -0.60 0.00 0.00 54.58 50.68 1sju n ASN 47 Cb 0.28 -1.09 0.06 0.00 -0.53 0.00 0.00 39.78 38.50 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 0.24 1.12 -3.22 1.20 4.01 -0.77 -5.07 117.16 114.67 1sju n TYR 48 Ca 0.41 -1.68 -0.01 0.00 -0.16 0.00 0.00 57.90 56.46 1sju n TYR 48 Cb 0.57 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40