#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1boe n LEU 14 N 0.00 -1.30 0.00 0.00 4.32 -1.26 -4.29 117.00 114.47 1boe n LEU 14 Ca 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 56.01 55.52 1boe n LEU 14 Cb 0.00 -0.97 0.00 0.00 -1.62 0.00 0.00 43.42 40.83 1boe n LEU 14 CO 0.00 -3.71 0.00 0.00 -1.22 0.00 0.00 177.39 172.46 1boe n ALA 15 N -5.03 0.00 -3.03 -1.18 0.00 -1.26 -0.21 120.51 109.79 1boe n ALA 15 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 1boe n ALA 15 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 1boe n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1boe s GLU 16 N 3.42 3.66 0.00 0.00 -6.30 -1.26 -4.36 118.70 113.85 1boe s GLU 16 Ca 0.00 -0.51 0.00 0.00 -2.50 0.00 0.00 54.97 51.96 1boe s GLU 16 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 34.13 31.09 1boe s GLU 16 CO 0.00 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.79 1boe n GLY 17 N 3.98 0.23 3.72 -1.50 0.00 -0.82 -4.98 105.19 105.83 1boe n GLY 17 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1boe n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1boe s GLN 18 N -0.97 4.42 0.02 1.61 -0.44 -1.26 -4.75 119.66 118.29 1boe s GLN 18 Ca 0.00 1.85 -0.30 0.00 -2.50 0.00 0.00 55.36 54.41 1boe s GLN 18 Cb 0.00 -3.31 -0.08 0.00 -1.64 0.00 0.00 33.01 27.99 1boe s GLN 18 CO 0.00 -0.26 1.74 -1.12 0.50 0.00 0.00 175.29 176.15 1boe s SER 19 N 0.90 6.58 0.00 6.67 0.01 -1.26 -3.26 113.70 123.33 1boe s SER 19 Ca 0.59 2.46 0.00 0.00 1.31 0.00 0.00 55.95 60.31 1boe s SER 19 Cb -0.32 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.37 1boe s SER 19 CO 0.31 -0.95 0.00 0.00 0.41 0.00 0.00 173.24 173.01 1boe s GLY 21 N 0.00 -0.16 0.65 0.00 0.00 -1.26 0.65 107.32 107.19 1boe s GLY 21 Ca 0.00 2.42 0.29 0.00 0.00 0.00 0.00 44.72 47.43 1boe s GLY 21 CO 0.00 1.42 1.91 -0.39 0.00 0.00 0.00 173.10 176.04 1boe h VAL 22 N 2.99 0.09 -0.60 1.40 -1.51 0.40 2.11 116.25 121.14 1boe h VAL 22 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1boe h VAL 22 Cb 1.17 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1boe h VAL 22 CO 0.22 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.34 1boe n TYR 23 N -3.08 0.86 0.00 5.19 4.01 -1.24 -4.83 117.16 118.07 1boe n TYR 23 Ca 0.00 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 1boe n TYR 23 Cb 0.45 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1boe n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1boe n THR 24 N 1.24 0.00 -3.90 -0.72 -1.04 0.72 -5.05 114.28 105.53 1boe n THR 24 Ca 0.20 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.95 1boe n THR 24 Cb 0.54 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.05 1boe n THR 24 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1boe s GLU 25 N 2.91 2.25 -0.75 -2.82 0.41 -1.26 -4.98 118.70 114.46 1boe s GLU 25 Ca 0.00 -2.03 -0.16 0.00 -0.41 0.00 0.00 54.97 52.37 1boe s GLU 25 Cb 0.00 -2.09 0.16 0.00 -1.78 0.00 0.00 34.13 30.42 1boe s GLU 25 CO 0.00 -0.62 0.78 1.03 -0.49 0.00 0.00 175.26 175.96 1boe s ARG 26 N -4.28 3.38 1.02 1.61 0.52 -1.26 -4.78 118.95 115.17 1boe s ARG 26 Ca 0.34 -1.97 -0.23 0.00 -0.52 0.00 0.00 55.73 53.35 1boe s ARG 26 Cb -0.02 -4.46 -0.12 0.00 0.52 0.00 0.00 34.95 30.86 1boe s ARG 26 CO 0.21 -1.44 -1.00 0.00 0.02 0.00 0.00 175.30 173.09 1boe n ALA 28 N -3.41 -1.78 -1.35 0.00 0.00 0.70 -4.34 120.51 110.34 1boe n ALA 28 Ca -0.01 0.22 -0.53 0.00 0.00 0.00 0.00 53.44 53.12 1boe n ALA 28 Cb 0.67 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 1boe n ALA 28 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1boe n GLN 29 N 0.54 0.00 0.00 0.00 -0.06 -1.26 0.15 117.38 116.74 1boe n GLN 29 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 1boe n GLN 29 Cb 0.06 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 1boe n GLN 29 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1boe n GLY 30 N 1.73 2.90 3.88 1.69 0.00 -1.26 -5.02 105.19 109.11 1boe n GLY 30 Ca 0.19 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1boe n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1boe s LEU 31 N 0.00 2.94 0.09 0.99 1.43 0.40 -2.80 118.68 121.72 1boe s LEU 31 Ca 0.00 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.04 1boe s LEU 31 Cb 0.00 -3.97 0.05 0.00 0.03 0.00 0.00 46.19 42.30 1boe s LEU 31 CO 0.00 -1.29 0.51 -0.13 0.23 0.00 0.00 176.35 175.67 1boe s ARG 32 N -5.34 1.09 -0.19 1.70 0.52 -1.22 -4.43 118.95 111.09 1boe s ARG 32 Ca 0.58 -0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 55.10 1boe s ARG 32 Cb -0.11 0.50 -0.02 0.00 0.52 0.00 0.00 34.95 35.84 1boe s ARG 32 CO 0.52 -0.42 1.38 0.00 0.02 0.00 0.00 175.30 176.79 1boe s LEU 34 N 4.01 2.47 1.00 0.00 2.01 0.27 -4.64 118.68 123.80 1boe s LEU 34 Ca 0.60 -0.92 -0.15 0.00 0.01 0.00 0.00 54.13 53.67 1boe s LEU 34 Cb -0.23 -0.24 0.19 0.00 0.01 0.00 0.00 46.19 45.92 1boe s LEU 34 CO 0.21 -0.34 1.18 -2.16 1.01 0.00 0.00 176.35 176.24 1boe s PRO 35 N -3.34 0.38 0.48 1.29 0.04 -1.26 0.02 135.00 132.62 1boe s PRO 35 Ca 0.10 0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.24 1boe s PRO 35 Cb 0.01 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.81 1boe s PRO 35 CO -0.01 -2.66 0.60 1.03 0.04 0.00 0.00 177.00 176.00 1boe s ARG 36 N -5.47 2.56 -0.19 4.56 0.52 -1.26 -4.73 118.95 114.94 1boe s ARG 36 Ca 0.68 -1.49 0.20 0.00 -0.52 0.00 0.00 55.73 54.61 1boe s ARG 36 Cb -0.11 -2.61 0.47 0.00 0.52 0.00 0.00 34.95 33.23 1boe s ARG 36 CO 0.54 -0.49 1.15 1.04 0.02 0.00 0.00 175.30 177.56 1boe n GLN 37 N -1.93 1.55 0.00 3.54 6.02 -1.26 -4.71 117.38 120.58 1boe n GLN 37 Ca 0.09 -3.19 0.00 0.00 -0.01 0.00 0.00 57.00 53.90 1boe n GLN 37 Cb 0.61 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.59 1boe n GLN 37 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1boe n ASP 38 N -0.37 0.00 -3.85 1.08 2.03 -1.26 -5.03 116.55 109.16 1boe n ASP 38 Ca 0.14 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.16 1boe n ASP 38 Cb 0.91 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.21 1boe n ASP 38 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1boe n GLU 39 N 0.00 2.11 -3.15 -0.67 2.13 -1.26 -4.97 120.64 114.83 1boe n GLU 39 Ca 0.00 -4.53 0.05 0.00 0.66 0.00 0.00 57.16 53.34 1boe n GLU 39 Cb 0.00 -2.30 -0.01 0.00 0.27 0.00 0.00 31.44 29.40 1boe n GLU 39 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1boe s GLU 40 N -1.66 0.28 -0.20 5.31 2.02 -1.26 -5.06 118.70 118.12 1boe s GLU 40 Ca 0.28 0.41 -0.02 0.00 0.02 0.00 0.00 54.97 55.66 1boe s GLU 40 Cb -0.01 0.22 -0.07 0.00 0.10 0.00 0.00 34.13 34.37 1boe s GLU 40 CO -0.13 -0.38 0.51 1.63 0.02 0.00 0.00 175.26 176.91 1boe n LYS 41 N 5.37 0.00 -1.83 1.61 5.02 -1.26 -4.78 118.16 122.29 1boe n LYS 41 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1boe n LYS 41 Cb 0.54 -0.28 0.20 0.00 -0.02 0.00 0.00 35.03 35.48 1boe n LYS 41 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1boe n PRO 42 N 1.45 -1.33 -1.39 1.97 -0.04 -1.26 -4.08 135.00 130.32 1boe n PRO 42 Ca 0.14 -2.00 -0.14 0.00 -0.04 0.00 0.00 63.50 61.46 1boe n PRO 42 Cb 0.07 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1boe n PRO 42 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1boe n LEU 43 N 0.00 -0.73 -1.93 1.53 4.77 -1.26 -4.64 117.00 114.75 1boe n LEU 43 Ca 0.16 0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 56.47 1boe n LEU 43 Cb 0.57 -2.56 0.05 0.00 -2.33 0.00 0.00 43.42 39.14 1boe n LEU 43 CO 0.41 -0.97 0.39 1.57 -1.33 0.00 0.00 177.39 177.46 1boe n HIS 44 N -2.34 -0.76 0.00 -1.77 -0.00 -1.26 -5.01 115.22 104.07 1boe n HIS 44 Ca -0.14 -0.63 0.00 0.00 0.46 0.00 0.00 57.72 57.41 1boe n HIS 44 Cb 0.58 0.92 0.00 0.00 -0.12 0.00 0.00 29.99 31.37 1boe n HIS 44 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1boe n ALA 45 N -0.57 2.66 1.12 1.57 0.00 -1.26 -4.77 120.51 119.25 1boe n ALA 45 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1boe n ALA 45 Cb 0.64 0.13 0.54 0.00 0.00 0.00 0.00 19.45 20.76 1boe n ALA 45 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1boe n LEU 46 N -2.34 0.00 -0.01 0.00 -0.00 -1.26 0.90 117.00 114.30 1boe n LEU 46 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1boe n LEU 46 Cb 0.13 -0.03 -0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1boe n LEU 46 CO 0.00 -0.01 -0.01 -0.07 -0.00 0.00 0.00 177.39 177.30 1boe h LEU 47 N 0.00 0.00 -0.56 1.47 3.38 -1.86 2.44 115.31 120.19 1boe h LEU 47 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1boe h LEU 47 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1boe h LEU 47 CO 0.00 0.08 0.36 0.45 0.09 0.00 0.00 178.44 179.41 1boe h HIS 48 N -0.14 0.67 0.00 1.13 3.86 -1.90 -3.31 115.15 115.47 1boe h HIS 48 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1boe h HIS 48 Cb 0.02 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1boe h HIS 48 CO -0.01 0.41 0.00 0.41 0.86 0.00 0.00 177.93 179.61 1boe n GLY 49 N -1.25 0.00 1.02 2.45 0.00 -1.16 -4.84 105.19 101.41 1boe n GLY 49 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1boe n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1boe n ARG 50 N 0.00 0.36 -1.63 1.61 1.74 0.26 -4.53 116.66 114.47 1boe n ARG 50 Ca 0.00 -2.04 -0.07 0.00 -0.77 0.00 0.00 57.85 54.97 1boe n ARG 50 Cb 0.00 -0.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.97 1boe n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1boe n GLY 51 N -0.02 1.79 3.09 -0.13 0.00 0.21 -4.21 105.19 105.91 1boe n GLY 51 Ca 0.08 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 1boe n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1boe s VAL 52 N -0.33 0.94 -0.41 1.61 -7.23 0.10 0.11 120.40 115.19 1boe s VAL 52 Ca 0.21 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.43 1boe s VAL 52 Cb -0.02 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.12 1boe s VAL 52 CO 0.14 0.11 0.83 0.00 -0.31 0.00 0.00 175.10 175.87 1boe s LEU 54 N 3.32 3.18 0.71 0.00 1.43 -0.94 -1.94 118.68 124.45 1boe s LEU 54 Ca 0.33 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 1boe s LEU 54 Cb -0.12 -1.95 -0.12 0.00 0.03 0.00 0.00 46.19 44.02 1boe s LEU 54 CO 0.20 0.18 -0.20 0.59 0.23 0.00 0.00 176.35 177.35 1boe n ASN 55 N 0.64 -3.89 -2.00 2.29 4.13 -1.26 -3.43 115.26 111.74 1boe n ASN 55 Ca -0.12 0.49 -0.18 0.00 1.68 0.00 0.00 54.58 56.44 1boe n ASN 55 Cb 0.52 -0.90 0.01 0.00 -1.54 0.00 0.00 39.78 37.87 1boe n ASN 55 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1boe n GLU 56 N 1.31 1.89 0.00 3.52 -0.00 -1.12 -4.41 120.64 121.83 1boe n GLU 56 Ca 0.05 -1.62 0.00 0.00 -0.00 0.00 0.00 57.16 55.59 1boe n GLU 56 Cb 0.51 -1.70 0.00 0.00 -0.00 0.00 0.00 31.44 30.24 1boe n GLU 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1boe n LYS 57 N 0.58 0.00 0.00 3.44 5.02 -1.26 -5.08 118.16 120.86 1boe n LYS 57 Ca 0.33 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.80 1boe n LYS 57 Cb 0.58 -0.53 0.39 0.00 -0.02 0.00 0.00 35.03 35.45 1boe n LYS 57 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31