#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bic s ASP 2 N 0.00 -0.43 -0.92 -1.84 -4.77 -1.26 -5.10 116.67 102.35 2bic s ASP 2 Ca 0.00 0.51 -0.24 0.00 -3.30 0.00 0.00 52.55 49.52 2bic s ASP 2 Cb 0.00 0.54 0.04 0.00 -1.09 0.00 0.00 42.92 42.41 2bic s ASP 2 CO 0.00 -0.46 1.42 -2.16 0.70 0.00 0.00 175.17 174.67 2bic s PRO 3 N -0.96 3.41 -0.22 2.11 0.04 -1.26 -4.90 135.00 133.22 2bic s PRO 3 Ca -0.10 -0.78 -0.05 0.00 0.04 0.00 0.00 61.00 60.11 2bic s PRO 3 Cb -0.03 -4.95 0.11 0.00 0.04 0.00 0.00 34.50 29.67 2bic s PRO 3 CO 0.06 -2.24 0.43 -1.17 0.04 0.00 0.00 177.00 174.11 2bic s LEU 4 N 5.47 -0.71 0.23 -3.56 2.96 -1.26 -5.16 118.68 116.65 2bic s LEU 4 Ca 0.44 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 55.17 2bic s LEU 4 Cb -0.03 1.37 -0.05 0.00 0.50 0.00 0.00 46.19 47.98 2bic s LEU 4 CO -0.01 -0.25 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.45 2bic s TYR 5 N 2.62 1.55 0.29 5.38 2.02 -1.26 -5.01 117.35 122.94 2bic s TYR 5 Ca 0.04 -0.92 -0.29 0.00 -0.37 0.00 0.00 57.07 55.52 2bic s TYR 5 Cb -0.13 -0.89 -0.10 0.00 -0.40 0.00 0.00 41.96 40.43 2bic s TYR 5 CO -0.14 -0.04 1.36 0.00 -1.57 0.00 0.00 175.55 175.16 2bic n GLN 7 N 1.58 1.06 -2.04 0.00 7.27 -1.26 -4.81 117.38 119.18 2bic n GLN 7 Ca 0.03 -3.75 -0.15 0.00 0.07 0.00 0.00 57.00 53.20 2bic n GLN 7 Cb 0.41 -1.84 0.07 0.00 2.41 0.00 0.00 30.24 31.29 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bic n ALA 8 N 2.07 0.33 0.13 1.69 0.00 -1.26 -5.04 120.51 118.43 2bic n ALA 8 Ca 0.26 -1.34 -0.10 0.00 0.00 0.00 0.00 53.44 52.25 2bic n ALA 8 Cb 0.44 0.26 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 2bic n ALA 8 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2bic h ILE 9 N -0.36 0.48 -0.98 0.00 1.08 -1.98 -3.32 117.51 112.43 2bic h ILE 9 Ca -0.21 -0.82 -0.57 0.00 -0.39 0.00 0.00 64.86 62.86 2bic h ILE 9 Cb 0.82 0.79 -0.30 0.00 -3.07 0.00 0.00 36.82 35.06 2bic h ILE 9 CO 0.24 0.12 0.73 0.61 -0.69 0.00 0.00 178.15 179.16 2bic n GLY 10 N 0.34 4.99 3.55 5.37 0.00 -1.26 -4.91 105.19 113.27 2bic n GLY 10 Ca -0.08 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 2bic n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bic n PRO 12 N -0.76 -3.20 -1.21 0.00 -0.02 -1.26 -4.72 135.00 123.83 2bic n PRO 12 Ca -0.06 -1.43 -0.32 0.00 -2.02 0.00 0.00 63.50 59.68 2bic n PRO 12 Cb 0.60 -1.44 0.11 0.00 -0.02 0.00 0.00 33.50 32.74 2bic n PRO 12 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2bic s THR 13 N -2.51 2.83 0.09 3.45 -1.32 -1.26 -4.82 115.64 112.10 2bic s THR 13 Ca 0.59 0.30 -0.30 0.00 -1.21 0.00 0.00 61.69 61.08 2bic s THR 13 Cb -0.07 -2.68 -0.14 0.00 -1.51 0.00 0.00 72.50 68.10 2bic s THR 13 CO 0.46 -0.32 1.64 0.25 -2.21 0.00 0.00 174.62 174.45 2bic h LEU 14 N -1.03 -0.73 -7.76 9.08 7.12 -1.93 -3.28 115.31 116.78 2bic h LEU 14 Ca -0.44 0.06 -0.72 0.00 0.13 0.00 0.00 57.88 56.90 2bic h LEU 14 Cb 1.25 0.23 -0.15 0.00 -0.53 0.00 0.00 40.66 41.46 2bic h LEU 14 CO 0.49 -0.42 1.54 -0.31 -0.13 0.00 0.00 178.44 179.61 2bic s TYR 15 N -6.06 3.32 0.03 1.25 2.02 -1.26 -4.56 117.35 112.10 2bic s TYR 15 Ca -0.16 -2.00 -0.19 0.00 -0.37 0.00 0.00 57.07 54.35 2bic s TYR 15 Cb 0.06 -4.42 0.04 0.00 -0.40 0.00 0.00 41.96 37.24 2bic s TYR 15 CO 0.64 -1.50 0.44 -1.54 -1.57 0.00 0.00 175.55 172.02 2bic s SER 16 N 3.18 -0.33 0.28 2.29 1.04 -1.24 -5.05 113.70 113.87 2bic s SER 16 Ca 0.45 0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.97 2bic s SER 16 Cb -0.01 0.43 0.41 0.00 0.10 0.00 0.00 66.02 66.95 2bic s SER 16 CO 0.02 -0.65 1.81 -0.08 0.98 0.00 0.00 173.24 175.32 2bic h GLU 17 N 3.07 0.75 -0.10 4.02 4.81 -1.91 -0.83 114.58 124.38 2bic h GLU 17 Ca -0.31 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2bic h GLU 17 Cb 1.20 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 2bic h GLU 17 CO 0.42 0.73 0.02 0.00 -0.73 0.00 0.00 179.01 179.45 2bic h ALA 18 N 1.34 0.14 -0.58 2.92 0.00 -1.97 -2.23 119.26 118.88 2bic h ALA 18 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2bic h ALA 18 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2bic h ALA 18 CO 0.01 -0.21 0.19 -0.97 0.00 0.00 0.00 179.25 178.27 2bic h ASN 19 N -0.06 0.80 -0.58 0.00 -0.73 -1.77 -2.78 115.58 110.47 2bic h ASN 19 Ca 0.03 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.08 2bic h ASN 19 Cb 0.29 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 2bic h ASN 19 CO 0.00 0.75 0.38 0.25 -0.37 0.00 0.00 177.43 178.44 2bic h LEU 20 N 0.85 0.67 -0.90 0.34 7.12 -1.04 -2.33 115.31 120.03 2bic h LEU 20 Ca 0.19 -0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 2bic h LEU 20 Cb 0.23 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.16 2bic h LEU 20 CO -0.01 0.50 0.31 0.00 -0.13 0.00 0.00 178.44 179.10 2bic h ALA 21 N 1.21 1.12 -0.06 1.25 0.00 -1.23 0.29 119.26 121.84 2bic h ALA 21 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bic h ALA 21 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2bic h ALA 21 CO -0.04 0.63 0.02 0.28 0.00 0.00 0.00 179.25 180.14 2bic h VAL 22 N 1.09 0.99 -0.03 0.00 2.07 -1.22 -2.31 116.25 116.85 2bic h VAL 22 Ca 0.25 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 2bic h VAL 22 Cb 0.19 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2bic h VAL 22 CO -0.02 0.01 -0.29 0.77 0.02 0.00 0.00 177.57 178.06 2bic h SER 23 N 0.06 0.04 0.11 0.57 4.64 -1.30 -2.65 113.55 115.02 2bic h SER 23 Ca 0.03 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2bic h SER 23 Cb 0.01 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2bic h SER 23 CO -0.02 0.33 -0.08 0.50 -0.87 0.00 0.00 176.83 176.69 2bic h LYS 24 N 0.04 0.00 0.00 4.77 3.64 -0.36 0.16 116.57 124.81 2bic h LYS 24 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2bic h LYS 24 Cb 0.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2bic h LYS 24 CO 0.04 0.08 -0.71 0.93 -2.27 0.00 0.00 179.45 177.51 2bic h GLU 25 N 0.00 0.00 0.04 1.90 4.39 -1.41 -3.42 114.58 116.08 2bic h GLU 25 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2bic h GLU 25 Cb 0.15 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2bic h GLU 25 CO 0.01 0.46 -0.37 0.00 -1.16 0.00 0.00 179.01 177.95 2bic h ARG 27 N -0.56 0.00 -0.11 0.00 9.65 -1.17 -2.29 114.38 119.91 2bic h ARG 27 Ca -0.06 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 2bic h ARG 27 Cb 1.21 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2bic h ARG 27 CO 0.07 0.00 0.10 0.38 2.80 0.00 0.00 179.97 183.32 2bic h ASP 28 N 0.00 0.00 -1.43 -3.80 3.04 -1.67 -3.37 116.42 109.19 2bic h ASP 28 Ca 0.10 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.36 2bic h ASP 28 Cb 0.42 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.63 2bic h ASP 28 CO -0.00 0.00 1.26 -1.10 -2.04 0.00 0.00 179.24 177.35 2bic s GLN 29 N -4.87 3.25 1.71 4.15 -0.21 -0.86 -4.77 119.66 118.05 2bic s GLN 29 Ca -0.05 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.70 2bic s GLN 29 Cb 0.17 -4.94 0.00 0.00 1.00 0.00 0.00 33.01 29.23 2bic s GLN 29 CO 0.63 -2.42 0.00 0.41 -2.12 0.00 0.00 175.29 171.78 2bic n GLY 30 N 6.42 0.80 1.66 3.09 0.00 -1.26 -4.90 105.19 110.99 2bic n GLY 30 Ca 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2bic n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bic n LYS 31 N 3.85 0.00 -2.46 1.61 4.81 -1.26 -5.08 118.16 119.63 2bic n LYS 31 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 2bic n LYS 31 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 2bic n LYS 31 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2bic s LEU 32 N -6.12 3.71 -1.27 3.14 1.43 -1.26 -4.95 118.68 113.35 2bic s LEU 32 Ca 0.00 1.69 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 2bic s LEU 32 Cb 0.00 -4.53 0.16 0.00 0.03 0.00 0.00 46.19 41.86 2bic s LEU 32 CO 0.00 -0.66 1.81 0.61 0.23 0.00 0.00 176.35 178.34 2bic n GLY 33 N -1.05 4.50 2.41 -3.19 0.00 -1.26 -4.52 105.19 102.08 2bic n GLY 33 Ca 0.07 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 2bic n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bic n ASP 34 N 4.27 0.85 0.00 1.61 -0.08 -1.26 -4.86 116.55 117.08 2bic n ASP 34 Ca 0.40 -2.91 0.00 0.00 -1.51 0.00 0.00 54.79 50.77 2bic n ASP 34 Cb 0.38 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.41 2bic n ASP 34 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2bic n ASP 35 N 0.13 0.00 0.26 1.67 -0.08 -1.26 -4.98 116.55 112.28 2bic n ASP 35 Ca 0.17 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.59 2bic n ASP 35 Cb 0.73 0.03 0.67 0.00 2.34 0.00 0.00 41.12 44.88 2bic n ASP 35 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2bic h PHE 36 N 0.00 0.00 -0.57 -0.67 0.04 -1.89 -3.38 116.94 110.48 2bic h PHE 36 Ca 0.00 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2bic h PHE 36 Cb 0.00 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.05 2bic h PHE 36 CO 0.00 0.11 -0.17 1.58 -0.60 0.00 0.00 178.31 179.23 2bic n HIS 37 N -3.33 0.15 0.32 -0.55 -0.00 -1.26 -1.00 115.22 109.54 2bic n HIS 37 Ca -0.01 0.69 -0.13 0.00 0.46 0.00 0.00 57.72 58.74 2bic n HIS 37 Cb 0.31 -0.79 -0.06 0.00 -0.12 0.00 0.00 29.99 29.33 2bic n HIS 37 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2bic h ARG 38 N 0.00 -0.79 -0.94 1.57 9.65 -2.01 -2.99 114.38 118.88 2bic h ARG 38 Ca 0.25 0.05 0.19 0.00 -1.10 0.00 0.00 59.98 59.37 2bic h ARG 38 Cb 0.39 0.18 -0.18 0.00 -1.39 0.00 0.00 29.97 28.97 2bic h ARG 38 CO -0.58 -0.53 -0.23 0.00 2.80 0.00 0.00 179.97 181.44 2bic h GLU 41 N 0.00 0.00 -0.27 0.00 4.39 -0.95 -3.36 114.58 114.39 2bic h GLU 41 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2bic h GLU 41 Cb 0.69 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2bic h GLU 41 CO 0.04 0.00 -0.16 -1.91 -1.16 0.00 0.00 179.01 175.83 2bic n GLU 42 N -4.25 -0.12 -0.09 2.33 4.07 0.91 -2.47 120.64 121.02 2bic n GLU 42 Ca -0.04 0.56 -0.19 0.00 -0.06 0.00 0.00 57.16 57.43 2bic n GLU 42 Cb 0.15 -0.83 -0.11 0.00 -0.06 0.00 0.00 31.44 30.60 2bic n GLU 42 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2bic h GLN 43 N 0.00 0.00 -6.20 5.31 4.15 -1.72 -3.43 115.11 113.21 2bic h GLN 43 Ca 0.04 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.90 2bic h GLN 43 Cb 0.11 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 2bic h GLN 43 CO -0.25 0.91 0.93 0.00 -1.93 0.00 0.00 178.83 178.49 2bic n GLY 45 N 3.82 0.35 0.00 0.00 0.00 -1.24 -4.44 105.19 103.68 2bic n GLY 45 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2bic n GLY 45 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bic n SER 46 N -1.04 0.00 0.00 1.61 2.88 -1.23 -4.76 113.62 111.08 2bic n SER 46 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bic n SER 46 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2bic n SER 46 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2bic n THR 47 N -0.53 0.00 -3.62 2.46 -1.04 -1.26 -4.78 114.28 105.51 2bic n THR 47 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 2bic n THR 47 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 2bic n THR 47 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2bic s THR 48 N 0.00 0.00 -0.14 12.58 -1.32 -1.26 -4.94 115.64 120.56 2bic s THR 48 Ca 0.00 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 2bic s THR 48 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 2bic s THR 48 CO 0.00 0.00 1.21 -2.16 -2.21 0.00 0.00 174.62 171.46 2bic s PRO 49 N 0.22 4.28 -0.11 7.08 0.04 -1.26 -4.94 135.00 140.30 2bic s PRO 49 Ca -0.01 1.62 -0.18 0.00 0.04 0.00 0.00 61.00 62.47 2bic s PRO 49 Cb -0.05 -3.68 -0.15 0.00 0.04 0.00 0.00 34.50 30.65 2bic s PRO 49 CO 0.01 -0.61 0.53 0.00 0.04 0.00 0.00 177.00 176.98 2bic h ALA 50 N 7.87 -0.04 -2.69 8.56 0.00 -2.01 -3.44 119.26 127.51 2bic h ALA 50 Ca -0.28 -0.28 -0.55 0.00 0.00 0.00 0.00 54.91 53.80 2bic h ALA 50 Cb 1.12 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2bic h ALA 50 CO 0.94 -0.05 0.11 -1.54 0.00 0.00 0.00 179.25 178.71 2bic s SER 51 N -5.86 7.16 0.00 0.00 1.04 -1.26 -5.34 113.70 109.43 2bic s SER 51 Ca -0.12 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2bic s SER 51 Cb -0.01 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2bic s SER 51 CO 0.42 0.05 0.00 0.00 0.98 0.00 0.00 173.24 174.69