#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 -1.59 0.00 0.00 4.32 -1.26 -4.35 117.00 114.12 1boe n LEU 14 Ca 0.00 -0.38 -0.09 0.00 -0.02 0.00 0.00 56.01 55.52 1boe n LEU 14 Cb 0.00 -1.01 0.01 0.00 -1.62 0.00 0.00 43.42 40.80 1boe n LEU 14 CO 0.00 -3.56 0.08 0.00 -1.22 0.00 0.00 177.39 172.68 1boe n ALA 15 N -4.96 0.38 -2.67 -1.18 0.00 -1.26 -0.63 120.51 110.20 1boe n ALA 15 Ca 0.05 -0.81 -0.40 0.00 0.00 0.00 0.00 53.44 52.28 1boe n ALA 15 Cb 0.55 0.28 -0.05 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.90 4.25 0.00 0.00 -6.30 -1.26 -3.58 118.70 108.90 1boe s GLU 16 Ca 0.17 0.74 0.00 0.00 -2.50 0.00 0.00 54.97 53.38 1boe s GLU 16 Cb -0.01 -3.57 0.00 0.00 0.00 0.00 0.00 34.13 30.55 1boe s GLU 16 CO 0.11 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1boe n GLY 17 N 3.65 1.39 3.72 -1.50 0.00 -0.49 -4.97 105.19 106.99 1boe n GLY 17 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.91 1.88 -0.27 1.61 2.00 -1.23 -4.67 119.66 118.05 1boe s GLN 18 Ca 0.00 1.51 -0.21 0.00 -2.00 0.00 0.00 55.36 54.66 1boe s GLN 18 Cb 0.00 -1.83 -0.01 0.00 0.80 0.00 0.00 33.01 31.97 1boe s GLN 18 CO 0.00 -1.98 0.68 -1.12 -0.50 0.00 0.00 175.29 172.37 1boe s SER 19 N -2.62 6.60 0.00 6.67 0.01 -1.26 -2.67 113.70 120.44 1boe s SER 19 Ca 0.68 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1boe s SER 19 Cb -0.23 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1boe s SER 19 CO 0.51 -0.46 0.00 0.00 0.41 0.00 0.00 173.24 173.70 1boe s GLY 21 N 0.00 -0.11 0.64 0.00 0.00 -1.26 0.45 107.32 107.05 1boe s GLY 21 Ca 0.00 2.47 0.28 0.00 0.00 0.00 0.00 44.72 47.47 1boe s GLY 21 CO 0.00 1.29 1.85 -0.39 0.00 0.00 0.00 173.10 175.85 1boe h VAL 22 N 2.71 0.11 -0.56 1.40 -1.51 0.36 2.04 116.25 120.81 1boe h VAL 22 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1boe h VAL 22 Cb 1.17 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1boe h VAL 22 CO 0.24 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.36 1boe n TYR 23 N -3.12 1.32 0.00 5.19 4.01 -1.23 -4.83 117.16 118.51 1boe n TYR 23 Ca 0.01 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 1boe n TYR 23 Cb 0.52 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.93 0.00 -3.71 -0.72 -1.04 0.69 -5.03 114.28 105.40 1boe n THR 24 Ca 0.22 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.09 1boe n THR 24 Cb 0.80 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.31 1boe n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1boe n GLU 25 N 0.00 1.06 -3.28 -2.82 -0.58 -1.26 -4.99 120.64 108.78 1boe n GLU 25 Ca 0.00 -1.84 -0.46 0.00 -0.42 0.00 0.00 57.16 54.44 1boe n GLU 25 Cb 0.00 0.20 -0.02 0.00 -0.57 0.00 0.00 31.44 31.05 1boe n GLU 25 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1boe s ARG 26 N -3.21 3.66 1.00 3.49 3.00 -1.26 -4.80 118.95 120.84 1boe s ARG 26 Ca 0.17 -2.44 -0.21 0.00 0.00 0.00 0.00 55.73 53.25 1boe s ARG 26 Cb -0.01 -4.51 -0.13 0.00 0.00 0.00 0.00 34.95 30.29 1boe s ARG 26 CO 0.11 -1.35 -0.92 0.00 0.00 0.00 0.00 175.30 173.14 1boe n ALA 28 N -3.07 -1.84 -1.43 0.00 0.00 0.20 -4.33 120.51 110.04 1boe n ALA 28 Ca -0.01 0.25 -0.56 0.00 0.00 0.00 0.00 53.44 53.12 1boe n ALA 28 Cb 0.63 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 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 0.62 0.00 0.00 0.00 7.27 -1.26 0.14 117.38 124.15 1boe n GLN 29 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1boe n GLN 29 Cb 0.04 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.34 1boe n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1boe n GLY 30 N 2.12 3.02 3.93 1.69 0.00 -1.26 -5.04 105.19 109.65 1boe n GLY 30 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 3.70 0.02 0.99 1.43 0.37 -2.06 118.68 123.13 1boe s LEU 31 Ca 0.00 0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 53.44 1boe s LEU 31 Cb 0.00 -3.41 0.04 0.00 0.03 0.00 0.00 46.19 42.84 1boe s LEU 31 CO 0.00 -0.60 0.41 -0.13 0.23 0.00 0.00 176.35 176.26 1boe s ARG 32 N -4.58 0.86 -0.39 1.70 1.81 -1.11 -4.44 118.95 112.80 1boe s ARG 32 Ca 0.46 -0.25 -0.28 0.00 -1.72 0.00 0.00 55.73 53.94 1boe s ARG 32 Cb -0.10 0.39 -0.01 0.00 -0.45 0.00 0.00 34.95 34.78 1boe s ARG 32 CO 0.40 -0.28 1.69 0.00 -0.68 0.00 0.00 175.30 176.43 1boe s LEU 34 N 6.70 2.52 0.70 0.00 2.01 0.13 -4.47 118.68 126.27 1boe s LEU 34 Ca 0.73 -0.96 -0.11 0.00 0.01 0.00 0.00 54.13 53.79 1boe s LEU 34 Cb -0.19 -0.75 0.01 0.00 0.01 0.00 0.00 46.19 45.27 1boe s LEU 34 CO 0.32 -0.11 1.06 -2.16 1.01 0.00 0.00 176.35 176.47 1boe s PRO 35 N -3.33 2.92 0.29 1.29 0.04 -1.26 -1.01 135.00 133.94 1boe s PRO 35 Ca 0.20 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1boe s PRO 35 Cb -0.03 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1boe s PRO 35 CO 0.07 -1.09 0.33 0.54 0.04 0.00 0.00 177.00 176.89 1boe n ARG 36 N -3.12 -0.88 0.03 4.56 1.74 -1.26 -4.81 116.66 112.91 1boe n ARG 36 Ca 0.07 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 1boe n ARG 36 Cb 0.54 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1boe n ARG 36 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1boe n GLN 37 N -2.03 0.00 -0.59 5.56 6.02 -1.26 -4.77 117.38 120.31 1boe n GLN 37 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 1boe n GLN 37 Cb 0.16 -0.14 0.03 0.00 1.02 0.00 0.00 30.24 31.31 1boe n GLN 37 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1boe n ASP 38 N -2.86 5.02 0.00 1.08 8.00 -1.26 -4.82 116.55 121.71 1boe n ASP 38 Ca 0.00 -2.66 0.00 0.00 0.71 0.00 0.00 54.79 52.84 1boe n ASP 38 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1boe n ASP 38 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1boe n GLU 39 N 0.57 3.79 -3.65 -1.24 4.07 -1.26 -5.04 120.64 117.87 1boe n GLU 39 Ca 0.17 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.88 1boe n GLU 39 Cb 0.64 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.93 1boe n GLU 39 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1boe s GLU 40 N 4.16 2.49 -1.07 5.31 2.56 -1.26 -4.75 118.70 126.14 1boe s GLU 40 Ca 0.00 -2.14 -0.21 0.00 0.00 0.00 0.00 54.97 52.63 1boe s GLU 40 Cb 0.00 -3.81 0.02 0.00 2.00 0.00 0.00 34.13 32.34 1boe s GLU 40 CO 0.00 -1.17 0.69 1.63 -0.56 0.00 0.00 175.26 175.86 1boe n LYS 41 N 4.20 -0.88 -1.24 4.30 4.76 -1.26 -4.74 118.16 123.29 1boe n LYS 41 Ca 0.02 0.43 -0.36 0.00 -2.87 0.00 0.00 58.31 55.52 1boe n LYS 41 Cb 0.40 -3.06 -0.02 0.00 -1.84 0.00 0.00 35.03 30.51 1boe n LYS 41 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1boe n PRO 42 N -4.03 3.17 0.00 1.97 -0.04 -1.26 -4.19 135.00 130.63 1boe n PRO 42 Ca -0.15 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1boe n PRO 42 Cb 0.60 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 4.21 1.44 -1.67 1.53 4.77 -1.26 -4.16 117.00 121.87 1boe n LEU 43 Ca 0.67 -1.44 0.02 0.00 -0.03 0.00 0.00 56.01 55.23 1boe n LEU 43 Cb 0.24 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1boe n LEU 43 CO 0.84 0.36 0.08 1.57 -1.33 0.00 0.00 177.39 178.91 1boe n HIS 44 N -0.29 0.15 -0.03 -1.77 -0.00 -1.26 -4.89 115.22 107.13 1boe n HIS 44 Ca 0.00 -0.75 -0.06 0.00 0.46 0.00 0.00 57.72 57.38 1boe n HIS 44 Cb 0.20 -0.09 -0.02 0.00 -0.12 0.00 0.00 29.99 29.97 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 0.28 2.66 1.35 1.57 0.00 -1.26 -4.60 120.51 120.51 1boe n ALA 45 Ca 0.03 -0.21 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1boe n ALA 45 Cb 1.06 0.43 0.34 0.00 0.00 0.00 0.00 19.45 21.28 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 -3.24 0.00 -0.09 0.00 -0.00 -1.26 0.81 117.00 113.22 1boe n LEU 46 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.79 1boe n LEU 46 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 1boe n LEU 46 CO 0.01 0.00 -0.66 0.18 -0.00 0.00 0.00 177.39 176.92 1boe n LEU 47 N -0.77 1.89 0.12 1.47 4.77 -1.26 0.27 117.00 123.49 1boe n LEU 47 Ca 0.09 0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1boe n LEU 47 Cb 0.04 -0.81 -0.08 0.00 -2.33 0.00 0.00 43.42 40.24 1boe n LEU 47 CO 0.06 -0.18 0.59 0.45 -1.33 0.00 0.00 177.39 176.98 1boe h HIS 48 N -1.00 -0.28 0.00 -1.77 3.86 -1.81 -3.27 115.15 110.88 1boe h HIS 48 Ca -0.12 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1boe h HIS 48 Cb 0.95 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1boe h HIS 48 CO -0.28 0.05 0.00 0.41 0.86 0.00 0.00 177.93 178.97 1boe n GLY 49 N -0.30 0.00 0.14 2.45 0.00 -1.08 -4.73 105.19 101.67 1boe n GLY 49 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 1.61 1.74 0.24 -4.57 116.66 115.68 1boe n ARG 50 Ca 0.00 -0.48 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 1boe n ARG 50 Cb 0.00 -0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 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 0.00 0.50 2.95 -0.13 0.00 0.15 -4.47 105.19 104.18 1boe n GLY 51 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 1boe n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1boe s VAL 52 N 0.75 0.05 -0.44 1.61 0.11 -0.18 -1.12 120.40 121.18 1boe s VAL 52 Ca 0.00 -0.41 -0.24 0.00 -2.93 0.00 0.00 61.98 58.40 1boe s VAL 52 Cb 0.00 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.71 1boe s VAL 52 CO 0.00 -0.23 0.82 0.00 -3.33 0.00 0.00 175.10 172.36 1boe s LEU 54 N 3.36 3.93 0.87 0.00 2.01 -0.90 -1.40 118.68 126.55 1boe s LEU 54 Ca 0.32 -0.22 -0.13 0.00 0.01 0.00 0.00 54.13 54.11 1boe s LEU 54 Cb -0.12 -2.60 0.06 0.00 0.01 0.00 0.00 46.19 43.55 1boe s LEU 54 CO 0.23 -0.30 0.79 0.59 1.01 0.00 0.00 176.35 178.67 1boe n ASN 55 N -1.48 -0.63 -1.94 2.29 4.13 -1.26 -2.76 115.26 113.61 1boe n ASN 55 Ca -0.03 0.45 -0.17 0.00 1.68 0.00 0.00 54.58 56.52 1boe n ASN 55 Cb 0.58 -1.34 0.02 0.00 -1.54 0.00 0.00 39.78 37.50 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 -2.51 1.83 0.00 3.52 -0.00 -0.87 -4.43 120.64 118.17 1boe n GLU 56 Ca 0.10 -1.54 0.00 0.00 -0.00 0.00 0.00 57.16 55.72 1boe n GLU 56 Cb 0.52 -1.65 0.00 0.00 -0.00 0.00 0.00 31.44 30.31 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 0.54 0.00 0.00 3.44 5.02 -1.26 -5.08 118.16 120.82 1boe n LYS 57 Ca 0.31 0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.64 1boe n LYS 57 Cb 0.58 -0.18 0.22 0.00 -0.02 0.00 0.00 35.03 35.62 1boe n LYS 57 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31