#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 0.00 -2.13 -7.23 -1.26 -4.78 120.40 105.00 1sju s VAL 2 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1sju s VAL 2 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1sju s VAL 2 CO 0.00 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 171.59 1sju n ASN 3 N 2.31 0.00 -3.21 4.85 2.85 -1.26 -5.10 115.26 115.70 1sju n ASN 3 Ca -0.14 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.31 1sju n ASN 3 Cb 0.55 0.02 -0.02 0.00 1.24 0.00 0.00 39.78 41.58 1sju n ASN 3 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1sju s GLN 4 N -0.04 0.81 0.46 1.20 0.74 -1.26 -4.99 119.66 116.59 1sju s GLN 4 Ca 0.00 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.04 1sju s GLN 4 Cb 0.00 -0.00 0.00 0.00 1.10 0.00 0.00 33.01 34.11 1sju s GLN 4 CO 0.00 -1.20 0.00 0.72 -0.55 0.00 0.00 175.29 174.26 1sju n HIS 5 N 4.33 -3.78 0.00 1.67 8.25 -0.78 -4.96 115.22 119.95 1sju n HIS 5 Ca 0.11 2.02 0.00 0.00 -0.26 0.00 0.00 57.72 59.59 1sju n HIS 5 Cb 0.56 -3.17 0.00 0.00 1.12 0.00 0.00 29.99 28.49 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 -1.16 0.00 -1.51 2.41 4.77 -1.12 -5.00 117.00 115.40 1sju n LEU 6 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1sju n LEU 6 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1sju n LEU 6 CO 0.00 0.00 -0.60 0.00 -1.33 0.00 0.00 177.39 175.46 1sju n GLY 8 N -3.74 -1.19 0.00 0.00 0.00 -1.26 0.26 105.19 99.26 1sju n GLY 8 Ca -0.06 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.82 0.00 0.16 1.61 7.64 -1.26 -0.28 113.62 116.67 1sju n SER 9 Ca 0.05 0.95 0.04 0.00 1.01 0.00 0.00 58.87 60.92 1sju n SER 9 Cb 0.22 -0.45 0.15 0.00 -1.01 0.00 0.00 64.21 63.12 1sju n SER 9 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1sju h ASP 10 N 0.00 0.00 -0.60 6.43 3.32 -0.75 -2.13 116.42 122.69 1sju h ASP 10 Ca 0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 1sju h ASP 10 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1sju h ASP 10 CO 0.00 0.47 0.13 -0.07 -1.72 0.00 0.00 179.24 178.04 1sju h LEU 11 N 0.00 -0.00 0.12 1.55 -0.00 0.51 0.15 115.31 117.63 1sju h LEU 11 Ca -0.00 0.11 -0.32 0.00 -0.00 0.00 0.00 57.88 57.67 1sju h LEU 11 Cb 1.20 0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 42.01 1sju h LEU 11 CO 0.06 0.01 -1.63 -0.37 -0.00 0.00 0.00 178.44 176.50 1sju h VAL 12 N 0.26 1.03 -0.56 1.22 -1.51 -0.65 -2.55 116.25 113.48 1sju h VAL 12 Ca 0.31 -2.69 0.16 0.00 -1.23 0.00 0.00 66.70 63.25 1sju h VAL 12 Cb 0.47 2.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.30 1sju h VAL 12 CO -0.40 0.80 0.48 -0.08 -1.23 0.00 0.00 177.57 177.15 1sju h GLU 13 N 0.07 0.00 0.00 5.19 4.22 -0.68 0.46 114.58 123.84 1sju h GLU 13 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.16 1sju h GLU 13 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1sju h GLU 13 CO 0.15 0.00 -0.39 0.00 -2.18 0.00 0.00 179.01 176.59 1sju h ALA 14 N 1.56 0.00 -1.85 2.92 0.00 -0.77 -2.95 119.26 118.17 1sju h ALA 14 Ca 0.27 -0.43 0.55 0.00 0.00 0.00 0.00 54.91 55.29 1sju h ALA 14 Cb 1.23 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 19.32 1sju h ALA 14 CO -0.00 0.39 1.31 -0.07 0.00 0.00 0.00 179.25 180.87 1sju h LEU 15 N -0.81 0.04 0.43 0.00 3.38 -1.07 3.70 115.31 120.98 1sju h LEU 15 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1sju h LEU 15 Cb 0.39 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1sju h LEU 15 CO 0.00 -0.05 -0.20 0.22 0.09 0.00 0.00 178.44 178.49 1sju h TYR 16 N 0.00 -0.53 -0.09 1.13 5.03 -0.19 -0.29 116.97 122.04 1sju h TYR 16 Ca 0.92 -0.01 -0.13 0.00 2.58 0.00 0.00 58.73 62.09 1sju h TYR 16 Cb 3.57 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 42.01 1sju h TYR 16 CO -0.00 -0.20 -0.53 1.37 -1.32 0.00 0.00 178.16 177.47 1sju h LEU 17 N -0.91 0.28 -1.20 2.82 8.10 0.41 0.85 115.31 125.66 1sju h LEU 17 Ca -0.06 -0.14 0.04 0.00 0.11 0.00 0.00 57.88 57.83 1sju h LEU 17 Cb 0.56 -0.08 -0.05 0.00 -0.44 0.00 0.00 40.66 40.65 1sju h LEU 17 CO 0.10 0.76 0.56 0.58 -4.11 0.00 0.00 178.44 176.32 1sju h VAL 18 N 0.20 1.12 0.00 0.15 2.07 0.59 -3.33 116.25 117.04 1sju h VAL 18 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1sju h VAL 18 Cb 1.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1sju h VAL 18 CO 0.08 0.19 -0.69 0.00 0.02 0.00 0.00 177.57 177.17 1sju n GLY 20 N 1.55 -0.22 1.25 0.00 0.00 0.29 -4.83 105.19 103.24 1sju n GLY 20 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.52 0.00 -1.05 1.61 4.07 -1.26 -4.95 120.64 115.54 1sju n GLU 21 Ca -0.23 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.74 1sju n GLU 21 Cb 0.64 0.00 0.17 0.00 -0.06 0.00 0.00 31.44 32.19 1sju n GLU 21 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1sju n ARG 22 N -2.03 2.12 0.00 5.31 5.12 -1.26 -5.04 116.66 120.89 1sju n ARG 22 Ca 0.00 -3.23 0.00 0.00 -1.93 0.00 0.00 57.85 52.69 1sju n ARG 22 Cb 0.00 -1.98 0.00 0.00 -1.16 0.00 0.00 32.46 29.32 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 -1.09 2.67 3.48 -0.13 0.00 -1.26 -4.61 105.19 104.25 1sju n GLY 23 Ca 0.43 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.41 -0.15 1.61 -0.12 -1.26 -4.53 117.98 113.11 1sju s PHE 24 Ca 0.00 0.24 -0.01 0.00 -0.05 0.00 0.00 56.93 57.11 1sju s PHE 24 Cb 0.00 0.55 0.05 0.00 -0.63 0.00 0.00 43.02 42.99 1sju s PHE 24 CO 0.00 -0.67 2.28 0.34 -0.05 0.00 0.00 175.22 177.12 1sju n PHE 25 N -0.30 0.69 -1.93 3.49 7.35 0.42 -4.81 117.46 122.38 1sju n PHE 25 Ca -0.12 -1.50 -0.24 0.00 -0.76 0.00 0.00 57.45 54.84 1sju n PHE 25 Cb 0.63 -0.88 -0.05 0.00 0.35 0.00 0.00 39.48 39.52 1sju n PHE 25 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 1sju s TYR 26 N -0.68 1.64 0.25 -5.13 5.04 -1.26 -4.85 117.35 112.36 1sju s TYR 26 Ca 0.25 0.97 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1sju s TYR 26 Cb 0.16 -3.90 -0.01 0.00 0.35 0.00 0.00 41.96 38.56 1sju s TYR 26 CO -0.02 -1.73 0.09 0.25 -1.34 0.00 0.00 175.55 172.81 1sju n THR 27 N 8.08 0.00 0.00 4.34 -2.24 -1.26 -4.66 114.28 118.53 1sju n THR 27 Ca 0.41 -1.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1sju n THR 27 Cb 0.46 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1sju n THR 27 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sju n ASP 28 N -1.75 0.00 -2.68 3.42 -0.08 -1.26 -3.34 116.55 110.87 1sju n ASP 28 Ca -0.03 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.20 1sju n ASP 28 Cb 0.38 0.00 0.12 0.00 2.34 0.00 0.00 41.12 43.95 1sju n ASP 28 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1sju n LYS 29 N 0.00 1.23 -2.08 -0.67 4.81 -1.26 -4.93 118.16 115.25 1sju n LYS 29 Ca 0.00 -1.56 -0.07 0.00 -0.87 0.00 0.00 58.31 55.81 1sju n LYS 29 Cb 0.00 0.13 -0.01 0.00 0.02 0.00 0.00 35.03 35.17 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 -0.93 -0.14 0.00 3.14 0.00 -1.21 -4.22 105.19 101.82 1sju n GLY 30 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.54 0.00 -0.01 -0.61 0.13 -1.26 -4.68 119.36 110.39 1sju n ILE 31 Ca -0.08 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.56 1sju n ILE 31 Cb 0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.24 1sju n ILE 31 CO 0.00 0.00 0.00 0.55 2.80 0.00 0.00 176.55 179.90 1sju n VAL 32 N 0.00 0.17 0.05 9.51 3.14 -1.26 -4.61 118.33 125.33 1sju n VAL 32 Ca 0.00 -0.11 0.18 0.00 -2.96 0.00 0.00 64.34 61.45 1sju n VAL 32 Cb 0.00 -0.87 0.43 0.00 -1.06 0.00 0.00 33.84 32.34 1sju n VAL 32 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1sju h GLU 33 N 0.00 0.00 -0.43 1.45 4.57 -1.92 1.89 114.58 120.14 1sju h GLU 33 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1sju h GLU 33 Cb 1.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1sju h GLU 33 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 1sju n GLN 34 N -3.09 2.31 -0.02 1.92 10.64 -1.26 -4.26 117.38 123.61 1sju n GLN 34 Ca 0.11 -2.00 0.00 0.00 -1.83 0.00 0.00 57.00 53.29 1sju n GLN 34 Cb 1.09 -1.47 0.00 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 0.80 0.00 -2.34 0.00 -2.24 -1.26 -4.65 114.28 104.59 1sju n THR 37 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1sju n THR 37 Cb 0.41 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.85 0.11 -2.47 3.42 7.64 -1.26 -4.68 113.62 114.52 1sju n SER 38 Ca 0.00 -0.29 -0.25 0.00 1.01 0.00 0.00 58.87 59.34 1sju n SER 38 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1sju n SER 38 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1sju n ILE 39 N -0.27 2.27 -1.76 0.44 2.08 -1.26 -1.87 119.36 118.97 1sju n ILE 39 Ca 0.00 -4.74 -0.36 0.00 0.56 0.00 0.00 62.75 58.21 1sju n ILE 39 Cb 0.00 -1.10 0.06 0.00 -0.75 0.00 0.00 39.64 37.85 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 -2.04 0.00 -0.05 0.00 3.41 -1.26 -4.93 113.62 108.75 1sju n SER 41 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1sju n SER 41 Cb 0.49 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.57 1sju n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sju n LEU 42 N 0.00 0.81 0.13 1.04 -0.00 -1.26 -2.95 117.00 114.76 1sju n LEU 42 Ca 0.00 -0.24 -0.05 0.00 -0.00 0.00 0.00 56.01 55.72 1sju n LEU 42 Cb 0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.26 1sju n LEU 42 CO 0.00 0.19 0.30 0.22 -0.00 0.00 0.00 177.39 178.09 1sju h TYR 43 N 0.27 -0.32 -0.22 1.47 5.03 -1.98 0.81 116.97 122.03 1sju h TYR 43 Ca 0.00 -0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.15 1sju h TYR 43 Cb 0.52 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 1sju h TYR 43 CO 0.00 -0.20 -0.48 1.96 -1.32 0.00 0.00 178.16 178.12 1sju h GLN 44 N -0.53 0.58 0.00 1.82 1.08 -1.96 -2.86 115.11 113.25 1sju h GLN 44 Ca -0.04 -0.33 -0.07 0.00 -1.45 0.00 0.00 58.65 56.77 1sju h GLN 44 Cb 0.26 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1sju h GLN 44 CO 0.06 0.94 -0.31 -0.07 -0.95 0.00 0.00 178.83 178.49 1sju h LEU 45 N 0.46 0.00 -1.57 1.46 3.38 -1.63 -1.90 115.31 115.51 1sju h LEU 45 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sju h LEU 45 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sju h LEU 45 CO 0.09 0.31 0.05 -0.33 0.09 0.00 0.00 178.44 178.66 1sju h GLU 46 N 0.00 0.00 -0.78 1.13 4.39 -0.58 0.17 114.58 118.91 1sju h GLU 46 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sju h GLU 46 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1sju h GLU 46 CO 0.04 0.00 0.00 -1.71 -1.16 0.00 0.00 179.01 176.18 1sju n ASN 47 N -2.35 3.49 -2.55 1.42 2.85 -0.72 -4.06 115.26 113.34 1sju n ASN 47 Ca -0.02 -2.49 -0.13 0.00 -0.11 0.00 0.00 54.58 51.83 1sju n ASN 47 Cb 0.09 -0.60 0.03 0.00 1.24 0.00 0.00 39.78 40.54 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 0.33 1.99 -4.44 1.20 4.01 0.05 -4.99 117.16 115.30 1sju n TYR 48 Ca 0.15 -2.58 -0.24 0.00 -0.16 0.00 0.00 57.90 55.07 1sju n TYR 48 Cb 0.75 -0.27 -0.08 0.00 -0.31 0.00 0.00 39.34 39.43 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40