#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ech s GLU 3 N 0.90 3.37 0.25 0.00 -6.30 -1.26 -4.97 118.70 110.69 2ech s GLU 3 Ca -0.02 1.14 -0.01 0.00 -2.50 0.00 0.00 54.97 53.58 2ech s GLU 3 Cb -0.15 -4.15 -0.04 0.00 0.00 0.00 0.00 34.13 29.79 2ech s GLU 3 CO 0.00 -1.82 0.45 0.45 0.02 0.00 0.00 175.26 174.36 2ech s SER 4 N 5.38 6.38 0.00 -1.70 0.15 -1.26 -4.26 113.70 118.38 2ech s SER 4 Ca 0.71 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.81 2ech s SER 4 Cb -0.18 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2ech s SER 4 CO 0.32 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2ech n GLY 5 N -0.98 0.72 0.04 9.45 0.00 -1.24 -4.68 105.19 108.51 2ech n GLY 5 Ca -0.04 0.61 0.02 0.00 0.00 0.00 0.00 46.02 46.60 2ech n GLY 5 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ech n PRO 6 N 0.00 0.02 -0.12 1.61 -0.02 -1.26 0.43 135.00 135.66 2ech n PRO 6 Ca 0.00 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.72 2ech n PRO 6 Cb 0.00 -1.84 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 2ech n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ech n ARG 9 N 7.84 0.00 0.00 0.00 3.00 -0.22 -2.54 116.66 124.74 2ech n ARG 9 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.11 2ech n ARG 9 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 2ech n ARG 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ech n ASN 10 N -1.36 1.10 0.00 0.55 4.13 -1.26 -4.62 115.26 113.79 2ech n ASN 10 Ca 0.00 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.00 2ech n ASN 10 Cb 0.00 0.75 0.00 0.00 -1.54 0.00 0.00 39.78 38.99 2ech n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ech s LYS 12 N 0.00 3.60 -0.31 0.00 -0.14 -1.26 -4.84 119.74 116.78 2ech s LYS 12 Ca 0.00 -0.15 -0.37 0.00 -1.36 0.00 0.00 55.97 54.09 2ech s LYS 12 Cb 0.00 -3.82 -0.13 0.00 -1.68 0.00 0.00 37.83 32.20 2ech s LYS 12 CO 0.00 -0.68 2.02 1.19 -0.76 0.00 0.00 175.35 177.12 2ech n PHE 13 N 5.82 1.79 0.00 3.18 3.72 -1.26 -1.05 117.46 129.65 2ech n PHE 13 Ca -0.04 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 2ech n PHE 13 Cb 0.49 -2.51 0.00 0.00 -0.94 0.00 0.00 39.48 36.52 2ech n PHE 13 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2ech n LEU 14 N 8.02 0.00 -4.43 4.37 -0.00 -1.26 -4.81 117.00 118.89 2ech n LEU 14 Ca 0.36 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 56.02 2ech n LEU 14 Cb 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.57 2ech n LEU 14 CO 0.78 -0.17 1.76 0.29 -0.00 0.00 0.00 177.39 180.06 2ech n LYS 15 N 0.00 2.09 -0.06 1.47 4.01 -1.26 -4.49 118.16 119.91 2ech n LYS 15 Ca 0.00 -2.63 -0.02 0.00 -0.51 0.00 0.00 58.31 55.15 2ech n LYS 15 Cb 0.00 -3.55 -0.00 0.00 -0.51 0.00 0.00 35.03 30.96 2ech n LYS 15 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2ech n GLU 16 N 8.05 0.00 -0.49 1.97 2.13 -1.26 -3.97 120.64 127.07 2ech n GLU 16 Ca 0.47 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2ech n GLU 16 Cb 0.45 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.11 2ech n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ech n GLY 17 N 0.13 0.63 2.88 8.31 0.00 -0.58 -4.94 105.19 111.63 2ech n GLY 17 Ca 0.01 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2ech n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ech s THR 18 N -1.79 1.13 -0.00 2.61 2.01 -1.23 -4.95 115.64 113.42 2ech s THR 18 Ca 0.00 -0.76 -0.37 0.00 0.31 0.00 0.00 61.69 60.87 2ech s THR 18 Cb 0.00 -1.37 -0.16 0.00 0.01 0.00 0.00 72.50 70.98 2ech s THR 18 CO 0.00 0.03 1.46 -0.38 -0.69 0.00 0.00 174.62 175.05 2ech n ILE 19 N 4.85 0.09 0.16 1.82 5.41 -1.26 -0.95 119.36 129.48 2ech n ILE 19 Ca -0.12 -0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.50 2ech n ILE 19 Cb 0.47 -0.98 -0.07 0.00 -0.71 0.00 0.00 39.64 38.35 2ech n ILE 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ech s LYS 21 N -3.96 -0.02 -0.94 0.00 2.20 -1.26 -5.01 119.74 110.75 2ech s LYS 21 Ca -0.12 0.11 -0.22 0.00 -0.36 0.00 0.00 55.97 55.38 2ech s LYS 21 Cb 0.01 -0.14 0.08 0.00 -1.51 0.00 0.00 37.83 36.28 2ech s LYS 21 CO 0.44 -0.10 1.28 0.50 -0.36 0.00 0.00 175.35 177.11 2ech s ARG 22 N 0.60 3.53 0.82 4.03 6.06 -1.26 -3.52 118.95 129.22 2ech s ARG 22 Ca -0.05 -1.29 -0.14 0.00 -2.50 0.00 0.00 55.73 51.75 2ech s ARG 22 Cb -0.07 -5.04 0.20 0.00 0.06 0.00 0.00 34.95 30.10 2ech s ARG 22 CO -0.02 -2.01 0.75 0.00 -2.50 0.00 0.00 175.30 171.52 2ech n ALA 23 N 7.93 -2.22 -2.10 6.12 0.00 -1.26 -5.02 120.51 123.96 2ech n ALA 23 Ca 0.25 -1.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 2ech n ALA 23 Cb 0.50 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 2ech n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ech s ARG 24 N -4.70 4.54 0.71 0.00 3.00 -1.26 -4.77 118.95 116.48 2ech s ARG 24 Ca 0.48 1.77 0.00 0.00 0.00 0.00 0.00 55.73 57.99 2ech s ARG 24 Cb -0.04 -3.27 0.00 0.00 0.00 0.00 0.00 34.95 31.63 2ech s ARG 24 CO 0.37 -0.01 0.00 0.41 0.00 0.00 0.00 175.30 176.06 2ech n GLY 25 N 2.20 -1.93 0.19 -3.53 0.00 -1.26 -4.37 105.19 96.50 2ech n GLY 25 Ca 0.04 -1.35 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 2ech n GLY 25 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ech h ASP 26 N -0.24 0.42 -3.03 1.61 3.58 -1.90 -3.44 116.42 113.42 2ech h ASP 26 Ca 0.01 -0.22 -0.24 0.00 0.42 0.00 0.00 57.03 56.99 2ech h ASP 26 Cb 0.23 -0.12 0.10 0.00 1.72 0.00 0.00 39.33 41.26 2ech h ASP 26 CO 0.00 0.88 0.24 -0.90 -2.88 0.00 0.00 179.24 176.58 2ech n ASP 27 N -3.94 0.03 0.00 2.28 5.75 -1.26 -2.08 116.55 117.34 2ech n ASP 27 Ca -0.02 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 2ech n ASP 27 Cb 0.58 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2ech n ASP 27 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2ech n MET 28 N -2.61 0.00 -0.72 0.11 2.81 -0.61 -4.53 117.12 111.57 2ech n MET 28 Ca 0.09 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.67 2ech n MET 28 Cb 0.33 -0.35 0.17 0.00 -0.71 0.00 0.00 33.22 32.65 2ech n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2ech n ASP 29 N 0.99 0.41 -3.21 7.83 8.00 -1.26 -4.54 116.55 124.78 2ech n ASP 29 Ca 0.00 0.44 -0.24 0.00 0.71 0.00 0.00 54.79 55.70 2ech n ASP 29 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.56 2ech n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ech n ASP 30 N -4.16 2.06 -4.75 -2.24 8.00 -1.23 -4.40 116.55 109.82 2ech n ASP 30 Ca 0.12 -3.14 -0.41 0.00 0.71 0.00 0.00 54.79 52.07 2ech n ASP 30 Cb 0.52 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 2ech n ASP 30 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2ech s TYR 31 N -2.21 3.13 0.46 1.24 1.51 -1.25 -0.70 117.35 119.53 2ech s TYR 31 Ca 0.40 1.25 -0.25 0.00 -1.01 0.00 0.00 57.07 57.46 2ech s TYR 31 Cb 0.22 -3.68 -0.08 0.00 -0.11 0.00 0.00 41.96 38.32 2ech s TYR 31 CO -0.08 -2.04 1.40 0.00 -1.11 0.00 0.00 175.55 173.72 2ech s ASN 33 N -0.60 3.87 0.22 0.00 0.01 -0.48 -1.52 114.94 116.44 2ech s ASN 33 Ca 0.62 -0.37 0.09 0.00 -0.71 0.00 0.00 52.86 52.49 2ech s ASN 33 Cb -0.42 -1.58 0.30 0.00 0.41 0.00 0.00 41.25 39.96 2ech s ASN 33 CO 0.54 0.16 0.46 0.61 -1.51 0.00 0.00 177.10 177.36 2ech n GLY 34 N 3.56 -0.27 0.09 0.66 0.00 -1.26 -0.47 105.19 107.49 2ech n GLY 34 Ca -0.18 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2ech n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ech n LYS 35 N -1.93 1.01 -3.82 1.61 4.76 -1.26 -4.79 118.16 113.74 2ech n LYS 35 Ca 0.08 0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.45 2ech n LYS 35 Cb 0.54 -1.39 -0.09 0.00 -1.84 0.00 0.00 35.03 32.26 2ech n LYS 35 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2ech s THR 36 N -2.37 0.08 -0.34 -0.18 -1.32 0.38 -5.03 115.64 106.85 2ech s THR 36 Ca -0.17 -0.68 0.16 0.00 -1.21 0.00 0.00 61.69 59.79 2ech s THR 36 Cb 0.06 -0.68 0.42 0.00 -1.51 0.00 0.00 72.50 70.78 2ech s THR 36 CO 0.53 -0.37 0.87 0.00 -2.21 0.00 0.00 174.62 173.43 2ech n ASP 38 N 0.07 6.79 -3.87 0.00 2.03 -1.26 -3.63 116.55 116.67 2ech n ASP 38 Ca 0.15 -3.29 -0.33 0.00 0.52 0.00 0.00 54.79 51.84 2ech n ASP 38 Cb 0.76 -1.09 0.01 0.00 -0.72 0.00 0.00 41.12 40.08 2ech n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ech n PRO 40 N -3.62 2.58 -2.60 0.00 -0.02 -1.26 -4.92 135.00 125.17 2ech n PRO 40 Ca -0.16 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 2ech n PRO 40 Cb 0.51 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 2ech n PRO 40 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ech s ARG 41 N -1.40 4.74 -0.37 -0.52 3.52 -1.26 -3.75 118.95 119.91 2ech s ARG 41 Ca 0.58 1.66 0.05 0.00 -0.13 0.00 0.00 55.73 57.90 2ech s ARG 41 Cb -0.50 -3.23 0.17 0.00 -1.56 0.00 0.00 34.95 29.83 2ech s ARG 41 CO 0.57 0.35 0.52 1.21 -0.81 0.00 0.00 175.30 177.14 2ech s ASN 42 N -1.01 -0.42 0.06 -2.12 2.47 -1.26 -4.96 114.94 107.69 2ech s ASN 42 Ca 0.43 -0.89 -0.27 0.00 0.42 0.00 0.00 52.86 52.54 2ech s ASN 42 Cb -0.29 1.41 -0.13 0.00 -1.45 0.00 0.00 41.25 40.78 2ech s ASN 42 CO 0.37 -0.24 1.42 -0.65 -3.72 0.00 0.00 177.10 174.29 2ech h PRO 43 N 7.27 -0.77 0.00 0.43 0.11 -1.88 -3.23 132.00 133.93 2ech h PRO 43 Ca 0.03 0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 2ech h PRO 43 Cb 1.13 0.17 -0.18 0.00 0.11 0.00 0.00 31.00 32.24 2ech h PRO 43 CO 0.16 -0.51 -0.43 -2.39 -0.21 0.00 0.00 178.00 174.62 2ech n HIS 44 N -4.74 0.00 1.72 0.65 1.44 -1.26 -1.58 115.22 111.46 2ech n HIS 44 Ca -0.10 -0.49 0.15 0.00 -2.01 0.00 0.00 57.72 55.28 2ech n HIS 44 Cb 0.36 0.37 0.85 0.00 0.12 0.00 0.00 29.99 31.69 2ech n HIS 44 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2ech n LYS 45 N 0.10 0.76 -2.67 -1.40 5.02 -1.26 -4.47 118.16 114.23 2ech n LYS 45 Ca -0.21 -0.03 -0.04 0.00 -2.02 0.00 0.00 58.31 56.01 2ech n LYS 45 Cb 0.78 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.36 2ech n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ech n GLY 46 N 1.14 -1.65 3.68 0.72 0.00 -1.26 -5.14 105.19 102.67 2ech n GLY 46 Ca 0.19 1.03 -0.42 0.00 0.00 0.00 0.00 46.02 46.82 2ech n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ech s PRO 47 N 0.34 4.28 0.25 1.61 0.04 -1.26 -4.91 135.00 135.35 2ech s PRO 47 Ca 0.26 1.82 -0.21 0.00 0.04 0.00 0.00 61.00 62.90 2ech s PRO 47 Cb 0.19 -3.66 0.03 0.00 0.04 0.00 0.00 34.50 31.10 2ech s PRO 47 CO -0.09 -0.60 0.69 0.00 0.04 0.00 0.00 177.00 177.03 2ech s ALA 48 N 2.81 -1.30 -2.90 8.56 0.00 -0.88 -4.91 121.76 123.13 2ech s ALA 48 Ca 0.60 -0.13 0.25 0.00 0.00 0.00 0.00 51.96 52.68 2ech s ALA 48 Cb -0.27 0.86 0.36 0.00 0.00 0.00 0.00 23.12 24.07 2ech s ALA 48 CO 0.22 -0.98 1.36 2.41 0.00 0.00 0.00 175.76 178.77