#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n ILE 4 N 0.00 0.00 -2.95 -0.61 -5.35 -1.26 -4.83 119.36 104.35 3i20 n ILE 4 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 3i20 n ILE 4 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 3i20 n ILE 4 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3i20 s ARG 5 N 0.00 3.36 0.58 6.28 3.52 -1.26 -4.66 118.95 126.77 3i20 s ARG 5 Ca 0.00 -0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.22 3i20 s ARG 5 Cb 0.00 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 3i20 s ARG 5 CO 0.00 -1.22 1.03 -1.21 -0.81 0.00 0.00 175.30 173.10 3i20 s GLU 6 N 3.38 3.49 -0.60 5.12 2.02 -1.09 -4.82 118.70 126.20 3i20 s GLU 6 Ca 0.28 1.09 -0.23 0.00 0.02 0.00 0.00 54.97 56.14 3i20 s GLU 6 Cb -0.13 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.10 3i20 s GLU 6 CO 0.21 -0.66 0.92 0.15 0.02 0.00 0.00 175.26 175.89 3i20 s LYS 7 N -4.18 3.19 0.90 1.61 1.02 -1.26 -2.21 119.74 118.80 3i20 s LYS 7 Ca 0.61 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 55.84 3i20 s LYS 7 Cb -0.14 -4.15 0.13 0.00 -0.52 0.00 0.00 37.83 33.15 3i20 s LYS 7 CO 0.37 -1.63 1.10 0.42 -0.92 0.00 0.00 175.35 174.69 3i20 s ILE 8 N 3.85 2.45 -0.12 2.17 -1.09 0.38 -4.92 121.20 123.92 3i20 s ILE 8 Ca 0.24 0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.76 3i20 s ILE 8 Cb -0.16 -2.76 0.06 0.00 -1.58 0.00 0.00 42.46 38.02 3i20 s ILE 8 CO 0.13 -0.19 0.24 -1.59 -1.23 0.00 0.00 174.94 172.31 3i20 s LYS 9 N -5.08 0.13 -0.07 2.79 0.00 -1.26 -2.42 119.74 113.82 3i20 s LYS 9 Ca 0.63 0.70 -0.20 0.00 0.00 0.00 0.00 55.97 57.11 3i20 s LYS 9 Cb -0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 37.83 37.54 3i20 s LYS 9 CO 0.56 -0.28 0.55 -0.51 0.00 0.00 0.00 175.35 175.66 3i20 s LEU 10 N 2.32 4.33 -0.05 2.77 1.43 -1.03 -4.37 118.68 124.08 3i20 s LEU 10 Ca 0.01 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 3i20 s LEU 10 Cb -0.12 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 3i20 s LEU 10 CO -0.08 0.02 -0.02 -0.69 0.23 0.00 0.00 176.35 175.82 3i20 s VAL 11 N 0.35 4.10 0.32 -1.59 1.01 -0.31 -2.53 120.40 121.75 3i20 s VAL 11 Ca 0.30 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 3i20 s VAL 11 Cb -0.17 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 3i20 s VAL 11 CO 0.14 0.51 1.19 -0.55 0.00 0.00 0.00 175.10 176.38 3i20 s SER 12 N -1.16 6.93 0.18 3.32 0.15 -1.20 -1.46 113.70 120.46 3i20 s SER 12 Ca 0.16 2.44 0.10 0.00 0.70 0.00 0.00 55.95 59.35 3i20 s SER 12 Cb -0.11 -2.63 -0.10 0.00 -1.71 0.00 0.00 66.02 61.46 3i20 s SER 12 CO 0.05 -0.40 1.34 0.77 1.20 0.00 0.00 173.24 176.21 3i20 h SER 13 N 3.41 0.00 -3.13 5.45 4.64 -1.57 -3.45 113.55 118.90 3i20 h SER 13 Ca -0.48 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.40 3i20 h SER 13 Cb 1.22 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 63.53 3i20 h SER 13 CO 0.65 0.83 -0.08 0.00 -0.87 0.00 0.00 176.83 177.36 3i20 n ALA 14 N -2.31 -3.08 -0.34 5.18 0.00 -1.26 -4.91 120.51 113.79 3i20 n ALA 14 Ca 0.01 -1.22 0.04 0.00 0.00 0.00 0.00 53.44 52.26 3i20 n ALA 14 Cb 0.86 -1.97 0.22 0.00 0.00 0.00 0.00 19.45 18.56 3i20 n ALA 14 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i20 h GLY 15 N -2.71 1.45 -3.55 0.00 0.00 -2.03 -3.44 103.07 92.79 3i20 h GLY 15 Ca -0.62 -0.44 -0.54 0.00 0.00 0.00 0.00 47.33 45.72 3i20 h GLY 15 CO 0.49 0.30 -1.14 -1.30 0.00 0.00 0.00 176.54 174.88 3i20 n THR 16 N -4.51 0.00 1.24 4.70 -2.24 -1.26 -4.88 114.28 107.33 3i20 n THR 16 Ca 0.15 -0.46 0.13 0.00 -2.27 0.00 0.00 64.05 61.60 3i20 n THR 16 Cb 0.22 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 68.80 3i20 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i20 n GLY 17 N 2.42 0.46 3.17 3.38 0.00 -1.26 -4.72 105.19 108.64 3i20 n GLY 17 Ca 0.06 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 3i20 n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i20 n HIS 18 N 0.66 -2.15 -3.65 1.61 -0.00 -1.26 -4.83 115.22 105.60 3i20 n HIS 18 Ca 0.17 0.28 0.01 0.00 -0.00 0.00 0.00 57.72 58.18 3i20 n HIS 18 Cb 0.45 -1.52 -0.06 0.00 -0.00 0.00 0.00 29.99 28.85 3i20 n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3i20 s PHE 19 N -2.15 -0.08 0.95 1.57 -0.71 -1.26 -3.22 117.98 113.08 3i20 s PHE 19 Ca 0.47 0.16 -0.15 0.00 -1.04 0.00 0.00 56.93 56.37 3i20 s PHE 19 Cb -0.08 0.18 0.17 0.00 -1.21 0.00 0.00 43.02 42.08 3i20 s PHE 19 CO 0.70 -0.04 1.24 0.71 -1.34 0.00 0.00 175.22 176.49 3i20 s TYR 20 N 0.75 1.91 -0.07 3.49 2.02 -1.05 -4.93 117.35 119.47 3i20 s TYR 20 Ca -0.04 0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 57.15 3i20 s TYR 20 Cb -0.03 -3.79 0.04 0.00 -0.40 0.00 0.00 41.96 37.78 3i20 s TYR 20 CO -0.12 -2.56 0.15 -0.08 -1.57 0.00 0.00 175.55 171.37 3i20 s THR 21 N -3.62 -0.05 0.00 -0.71 -1.32 -1.26 -2.48 115.64 106.20 3i20 s THR 21 Ca 0.69 0.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.36 3i20 s THR 21 Cb -0.08 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.66 3i20 s THR 21 CO 0.52 0.08 0.00 1.07 -2.21 0.00 0.00 174.62 174.08 3i20 n THR 22 N 4.24 0.00 -3.96 5.08 5.66 -1.02 -4.97 114.28 119.31 3i20 n THR 22 Ca -0.26 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.65 3i20 n THR 22 Cb 0.52 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.20 3i20 n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3i20 s THR 23 N -2.79 0.16 0.19 1.09 -4.23 -1.26 0.14 115.64 108.94 3i20 s THR 23 Ca 0.00 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.13 3i20 s THR 23 Cb 0.00 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 3i20 s THR 23 CO 0.00 -0.71 0.32 -1.59 -0.54 0.00 0.00 174.62 172.10 3i20 s LYS 24 N -3.17 1.28 -1.13 3.99 -2.85 -0.94 -4.82 119.74 112.10 3i20 s LYS 24 Ca -0.00 -1.26 -0.17 0.00 -1.00 0.00 0.00 55.97 53.54 3i20 s LYS 24 Cb 0.02 0.39 0.12 0.00 -2.06 0.00 0.00 37.83 36.30 3i20 s LYS 24 CO -0.07 -0.48 1.43 1.21 0.10 0.00 0.00 175.35 177.54 3i20 s ASN 25 N -3.01 6.83 0.01 0.03 3.84 -1.26 -2.67 114.94 118.71 3i20 s ASN 25 Ca 0.22 -2.42 -0.01 0.00 0.21 0.00 0.00 52.86 50.86 3i20 s ASN 25 Cb 0.03 -2.47 0.01 0.00 -0.55 0.00 0.00 41.25 38.27 3i20 s ASN 25 CO 0.04 -1.03 0.08 1.17 -2.79 0.00 0.00 177.10 174.58 3i20 n LYS 26 N 6.96 -0.01 0.08 0.43 3.00 -1.26 -1.73 118.16 125.63 3i20 n LYS 26 Ca 0.36 0.08 -0.04 0.00 -0.00 0.00 0.00 58.31 58.71 3i20 n LYS 26 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 35.03 35.35 3i20 n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i20 h ARG 27 N 0.00 -0.23 -0.19 1.64 3.08 -1.92 -3.11 114.38 113.65 3i20 h ARG 27 Ca 0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i20 h ARG 27 Cb 0.03 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3i20 h ARG 27 CO -0.05 -0.15 0.00 0.25 -1.07 0.00 0.00 179.97 178.94 3i20 n THR 28 N -3.19 0.00 -2.73 2.04 -2.24 -0.70 -3.19 114.28 104.26 3i20 n THR 28 Ca -0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3i20 n THR 28 Cb 0.09 -0.23 0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3i20 n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i20 n LYS 29 N -0.28 0.73 0.12 -0.78 4.76 -0.97 -5.01 118.16 116.73 3i20 n LYS 29 Ca 0.00 -1.61 -0.01 0.00 -2.87 0.00 0.00 58.31 53.82 3i20 n LYS 29 Cb 0.05 -1.16 0.09 0.00 -1.84 0.00 0.00 35.03 32.18 3i20 n LYS 29 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3i20 h PRO 30 N 3.57 0.00 -6.42 1.97 0.13 -1.50 -3.42 132.00 126.33 3i20 h PRO 30 Ca -0.16 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.44 3i20 h PRO 30 Cb 1.08 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.22 3i20 h PRO 30 CO 0.20 0.67 0.88 -1.83 -0.23 0.00 0.00 178.00 177.70 3i20 s GLU 31 N -3.24 4.25 -0.33 0.86 1.03 -1.26 -4.86 118.70 115.15 3i20 s GLU 31 Ca 0.00 2.12 -0.35 0.00 0.03 0.00 0.00 54.97 56.77 3i20 s GLU 31 Cb 0.11 -3.54 -0.11 0.00 -0.80 0.00 0.00 34.13 29.79 3i20 s GLU 31 CO 0.76 -0.62 2.17 1.63 -1.33 0.00 0.00 175.26 177.87 3i20 n LYS 32 N 5.27 1.18 -1.97 -4.83 5.02 -1.26 -4.87 118.16 116.71 3i20 n LYS 32 Ca 0.14 0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 56.34 3i20 n LYS 32 Cb 0.42 -2.52 -0.03 0.00 -0.02 0.00 0.00 35.03 32.89 3i20 n LYS 32 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3i20 s LEU 33 N 7.18 4.36 0.05 -0.35 0.05 -1.25 -4.80 118.68 123.92 3i20 s LEU 33 Ca 1.08 2.47 0.06 0.00 0.05 0.00 0.00 54.13 57.79 3i20 s LEU 33 Cb -0.82 -3.57 -0.03 0.00 -2.05 0.00 0.00 46.19 39.73 3i20 s LEU 33 CO 0.48 -0.84 -0.18 -1.61 -0.55 0.00 0.00 176.35 173.65 3i20 s GLU 34 N 2.21 1.14 -0.03 1.48 2.02 -1.26 -4.10 118.70 120.15 3i20 s GLU 34 Ca 0.72 -0.92 -0.29 0.00 0.02 0.00 0.00 54.97 54.50 3i20 s GLU 34 Cb -0.40 -1.24 0.10 0.00 0.10 0.00 0.00 34.13 32.69 3i20 s GLU 34 CO 0.31 0.31 0.83 -0.48 0.02 0.00 0.00 175.26 176.25 3i20 s LEU 35 N -1.34 -0.46 0.10 1.80 2.34 -0.50 -5.00 118.68 115.62 3i20 s LEU 35 Ca 0.05 0.27 -0.31 0.00 0.06 0.00 0.00 54.13 54.20 3i20 s LEU 35 Cb -0.09 2.18 -0.07 0.00 -0.56 0.00 0.00 46.19 47.66 3i20 s LEU 35 CO 0.02 -0.60 1.25 -0.54 -1.06 0.00 0.00 176.35 175.43 3i20 s LYS 36 N -2.23 4.41 0.31 1.48 1.02 -1.26 -1.64 119.74 121.84 3i20 s LYS 36 Ca -0.01 1.88 0.07 0.00 0.02 0.00 0.00 55.97 57.92 3i20 s LYS 36 Cb -0.01 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3i20 s LYS 36 CO -0.03 -0.27 0.24 1.63 -0.92 0.00 0.00 175.35 176.00 3i20 n LYS 37 N 3.62 0.41 -3.29 1.68 5.02 -0.52 -4.93 118.16 120.14 3i20 n LYS 37 Ca 0.09 -3.06 -0.39 0.00 -2.02 0.00 0.00 58.31 52.93 3i20 n LYS 37 Cb 0.45 2.39 -0.07 0.00 -0.02 0.00 0.00 35.03 37.78 3i20 n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3i20 s PHE 38 N -3.20 3.39 -0.46 2.13 5.36 -1.26 -1.12 117.98 122.82 3i20 s PHE 38 Ca 0.34 0.75 -0.15 0.00 -0.96 0.00 0.00 56.93 56.91 3i20 s PHE 38 Cb 0.02 -2.62 0.06 0.00 -0.34 0.00 0.00 43.02 40.14 3i20 s PHE 38 CO 0.24 -0.04 0.39 0.34 -1.46 0.00 0.00 175.22 174.69 3i20 s ASP 39 N 1.05 6.14 0.25 6.13 -1.08 0.49 -4.96 116.67 124.69 3i20 s ASP 39 Ca 0.23 -1.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 3i20 s ASP 39 Cb -0.15 -2.18 0.30 0.00 -1.46 0.00 0.00 42.92 39.43 3i20 s ASP 39 CO 0.09 -0.62 1.65 1.55 0.52 0.00 0.00 175.17 178.36 3i20 h PRO 40 N 8.74 0.54 0.00 4.34 0.13 -1.94 0.14 132.00 143.94 3i20 h PRO 40 Ca -0.28 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3i20 h PRO 40 Cb 1.11 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i20 h PRO 40 CO 0.86 0.80 0.00 -0.39 -0.23 0.00 0.00 178.00 179.03 3i20 h VAL 41 N 0.46 0.00 -0.25 1.56 -1.51 -1.95 -2.49 116.25 112.07 3i20 h VAL 41 Ca 0.05 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3i20 h VAL 41 Cb 0.79 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 3i20 h VAL 41 CO 0.06 0.00 0.00 0.52 -1.23 0.00 0.00 177.57 176.92 3i20 n VAL 42 N -3.04 0.71 -2.44 7.19 0.31 -0.92 -4.97 118.33 115.18 3i20 n VAL 42 Ca 0.01 -0.86 -0.06 0.00 -0.01 0.00 0.00 64.34 63.43 3i20 n VAL 42 Cb 0.35 0.71 -0.01 0.00 -0.91 0.00 0.00 33.84 33.97 3i20 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i20 n ARG 43 N 0.54 -2.29 -3.95 5.55 3.00 0.37 -4.87 116.66 115.01 3i20 n ARG 43 Ca 0.10 0.02 -0.08 0.00 -0.01 0.00 0.00 57.85 57.88 3i20 n ARG 43 Cb 0.38 -3.66 -0.09 0.00 0.00 0.00 0.00 32.46 29.09 3i20 n ARG 43 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3i20 s GLN 44 N -4.38 0.70 0.21 5.56 -1.52 -0.54 -4.98 119.66 114.71 3i20 s GLN 44 Ca 0.12 -0.97 -0.29 0.00 -1.95 0.00 0.00 55.36 52.26 3i20 s GLN 44 Cb -0.07 0.27 -0.08 0.00 -0.22 0.00 0.00 33.01 32.91 3i20 s GLN 44 CO 0.14 -0.19 0.91 -1.01 -0.25 0.00 0.00 175.29 174.90 3i20 s HIS 45 N -3.50 3.96 0.23 0.91 3.76 -1.26 -0.38 115.29 118.99 3i20 s HIS 45 Ca 0.03 1.85 -0.15 0.00 -0.15 0.00 0.00 55.06 56.63 3i20 s HIS 45 Cb 0.04 -2.95 0.01 0.00 1.11 0.00 0.00 32.58 30.79 3i20 s HIS 45 CO -0.09 0.44 0.51 0.08 -0.85 0.00 0.00 174.74 174.84 3i20 s VAL 46 N -1.05 0.02 0.03 -0.90 1.01 -0.28 -4.90 120.40 114.33 3i20 s VAL 46 Ca 0.41 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 3i20 s VAL 46 Cb -0.25 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3i20 s VAL 46 CO 0.31 -0.07 1.22 -0.63 0.00 0.00 0.00 175.10 175.93 3i20 s ILE 47 N -3.95 4.05 -0.01 2.22 1.09 -1.26 -1.44 121.20 121.90 3i20 s ILE 47 Ca 0.15 1.45 0.02 0.00 -1.10 0.00 0.00 60.65 61.17 3i20 s ILE 47 Cb -0.01 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 3i20 s ILE 47 CO 0.04 0.07 -0.02 -0.31 -0.10 0.00 0.00 174.94 174.62 3i20 s TYR 48 N 1.48 3.04 0.00 3.97 2.02 -0.65 -1.41 117.35 125.79 3i20 s TYR 48 Ca 0.59 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.35 3i20 s TYR 48 Cb -0.29 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 3i20 s TYR 48 CO 0.27 0.44 0.00 1.17 -1.57 0.00 0.00 175.55 175.86 3i20 n LYS 49 N 1.50 0.54 -1.31 -0.62 4.81 -0.54 -1.41 118.16 121.13 3i20 n LYS 49 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 3i20 n LYS 49 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3i20 n LYS 49 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3i20 n GLU 50 N 0.00 -3.67 -2.66 1.64 4.07 -1.26 -1.17 120.64 117.59 3i20 n GLU 50 Ca 0.00 2.65 -0.03 0.00 -0.06 0.00 0.00 57.16 59.72 3i20 n GLU 50 Cb 0.00 -2.92 0.11 0.00 -0.06 0.00 0.00 31.44 28.57 3i20 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i20 n ALA 51 N 0.23 -3.47 -0.34 4.31 0.00 -1.26 -4.23 120.51 115.75 3i20 n ALA 51 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3i20 n ALA 51 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.12 3i20 n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13