#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal s ALA 2 N 0.00 0.46 0.00 2.98 0.00 -1.26 -5.04 121.76 118.90 1bal s ALA 2 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1bal s ALA 2 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1bal s ALA 2 CO 0.00 -3.32 0.00 0.43 0.00 0.00 0.00 175.76 172.87 1bal n SER 3 N -4.59 0.00 -0.02 0.00 7.64 -1.26 -5.07 113.62 110.32 1bal n SER 3 Ca 0.07 -0.58 -0.17 0.00 1.01 0.00 0.00 58.87 59.19 1bal n SER 3 Cb 0.53 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.60 1bal n SER 3 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1bal h LEU 4 N 0.00 0.22 -8.89 -3.43 3.38 -2.10 -3.43 115.31 101.06 1bal h LEU 4 Ca 0.00 -0.94 -0.63 0.00 0.09 0.00 0.00 57.88 56.39 1bal h LEU 4 Cb 0.00 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 40.53 1bal h LEU 4 CO 0.00 1.23 -0.22 -1.61 0.09 0.00 0.00 178.44 177.93 1bal s GLU 5 N -2.33 3.90 0.00 1.13 2.02 -1.26 -5.06 118.70 117.10 1bal s GLU 5 Ca -0.17 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1bal s GLU 5 Cb -0.00 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1bal s GLU 5 CO 0.75 -0.36 0.00 -0.85 0.02 0.00 0.00 175.26 174.82 1bal n GLU 6 N 5.39 1.46 -3.71 1.61 0.00 -1.26 -5.12 120.64 119.01 1bal n GLU 6 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 56.92 1bal n GLU 6 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.79 1bal n GLU 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1bal s GLN 7 N -0.36 0.03 -0.16 3.44 0.74 -1.26 -5.13 119.66 116.96 1bal s GLN 7 Ca 0.00 0.43 -0.04 0.00 0.05 0.00 0.00 55.36 55.80 1bal s GLN 7 Cb 0.00 -0.27 0.08 0.00 1.10 0.00 0.00 33.01 33.92 1bal s GLN 7 CO 0.00 -0.25 0.26 1.21 -0.55 0.00 0.00 175.29 175.97 1bal s ASN 8 N 1.75 0.64 1.75 6.67 2.47 -1.26 -5.09 114.94 121.88 1bal s ASN 8 Ca -0.02 0.31 0.00 0.00 0.42 0.00 0.00 52.86 53.57 1bal s ASN 8 Cb -0.12 0.66 0.00 0.00 -1.45 0.00 0.00 41.25 40.34 1bal s ASN 8 CO -0.05 -0.27 0.00 -3.20 -3.72 0.00 0.00 177.10 169.86 1bal n ASN 9 N 5.34 0.00 -3.88 -4.21 5.15 -1.26 -4.66 115.26 111.74 1bal n ASN 9 Ca -0.06 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.81 1bal n ASN 9 Cb 0.50 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.62 1bal n ASN 9 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1bal s ASP 10 N -4.00 0.02 -0.12 1.20 2.15 -1.26 -5.15 116.67 109.51 1bal s ASP 10 Ca 0.00 -0.06 -0.05 0.00 0.43 0.00 0.00 52.55 52.87 1bal s ASP 10 Cb 0.00 0.12 0.06 0.00 -0.30 0.00 0.00 42.92 42.80 1bal s ASP 10 CO 0.00 -0.13 0.27 0.00 -0.17 0.00 0.00 175.17 175.14 1bal s ALA 11 N -0.48 -0.60 0.83 3.66 0.00 -1.26 -5.16 121.76 118.75 1bal s ALA 11 Ca -0.05 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1bal s ALA 11 Cb -0.03 -0.88 0.17 0.00 0.00 0.00 0.00 23.12 22.37 1bal s ALA 11 CO 0.00 -0.47 1.14 -0.51 0.00 0.00 0.00 175.76 175.92 1bal s LEU 12 N 1.96 2.87 0.30 0.00 1.43 -1.26 -5.12 118.68 118.86 1bal s LEU 12 Ca -0.03 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1bal s LEU 12 Cb -0.11 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 1bal s LEU 12 CO -0.09 -2.29 -0.07 -0.94 0.23 0.00 0.00 176.35 173.19 1bal s SER 13 N -4.84 3.00 0.63 2.29 1.04 -1.26 -5.00 113.70 109.56 1bal s SER 13 Ca 0.71 -1.19 0.29 0.00 0.48 0.00 0.00 55.95 56.24 1bal s SER 13 Cb -0.04 -0.21 1.58 0.00 0.10 0.00 0.00 66.02 67.45 1bal s SER 13 CO 0.48 -0.31 1.93 -0.65 0.98 0.00 0.00 173.24 175.67 1bal h PRO 14 N 2.21 0.00 0.00 4.02 0.11 -2.00 0.36 132.00 136.71 1bal h PRO 14 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1bal h PRO 14 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1bal h PRO 14 CO 0.68 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 1bal n ALA 15 N -2.10 1.56 0.28 -0.75 0.00 -1.26 -2.70 120.51 115.55 1bal n ALA 15 Ca 0.02 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1bal n ALA 15 Cb 0.47 -1.12 0.65 0.00 0.00 0.00 0.00 19.45 19.45 1bal n ALA 15 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bal h ILE 16 N 0.00 0.00 -0.49 0.00 2.10 -0.68 0.11 117.51 118.56 1bal h ILE 16 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.89 1bal h ILE 16 Cb 0.06 0.53 -0.02 0.00 -1.09 0.00 0.00 36.82 36.30 1bal h ILE 16 CO 0.00 0.00 0.11 0.03 -1.08 0.00 0.00 178.15 177.21 1bal h ARG 17 N 0.00 0.79 -0.02 2.19 3.08 -1.77 -2.41 114.38 116.23 1bal h ARG 17 Ca 0.00 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 1bal h ARG 17 Cb 0.68 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1bal h ARG 17 CO 0.00 0.77 -0.22 0.00 -1.07 0.00 0.00 179.97 179.45 1bal h ARG 18 N 0.67 0.04 -0.97 0.04 -0.00 -1.05 -2.50 114.38 110.60 1bal h ARG 18 Ca 0.15 -0.01 0.18 0.00 -0.50 0.00 0.00 59.98 59.80 1bal h ARG 18 Cb 0.35 -0.00 -0.10 0.00 0.00 0.00 0.00 29.97 30.21 1bal h ARG 18 CO 0.00 0.26 0.57 1.25 0.00 0.00 0.00 179.97 182.06 1bal h LEU 19 N 0.03 0.73 0.10 3.04 5.85 -1.42 0.95 115.31 124.60 1bal h LEU 19 Ca 0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1bal h LEU 19 Cb 0.42 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1bal h LEU 19 CO 0.03 0.27 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.28 1bal h LEU 20 N 0.74 -0.12 -2.00 2.25 3.38 -1.49 -2.90 115.31 115.18 1bal h LEU 20 Ca 0.55 -0.45 0.23 0.00 0.09 0.00 0.00 57.88 58.31 1bal h LEU 20 Cb 0.83 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1bal h LEU 20 CO -0.38 0.45 0.58 0.00 0.09 0.00 0.00 178.44 179.19 1bal h ALA 21 N -0.03 2.76 -0.14 1.53 0.00 -1.31 0.42 119.26 122.50 1bal h ALA 21 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1bal h ALA 21 Cb 0.56 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1bal h ALA 21 CO 0.02 -1.00 -0.61 1.49 0.00 0.00 0.00 179.25 179.15 1bal h GLU 22 N 0.00 0.47 -0.51 0.00 4.57 -0.76 -2.90 114.58 115.45 1bal h GLU 22 Ca 0.38 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1bal h GLU 22 Cb 1.55 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1bal h GLU 22 CO -0.00 0.94 0.00 0.72 -1.18 0.00 0.00 179.01 179.48 1bal n HIS 23 N -3.91 0.68 -3.83 0.92 8.25 0.12 -4.92 115.22 112.52 1bal n HIS 23 Ca -0.03 -0.34 -0.28 0.00 -0.26 0.00 0.00 57.72 56.80 1bal n HIS 23 Cb 0.64 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.79 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bal n ASN 24 N 1.13 -5.13 -4.62 0.41 4.13 0.37 -4.95 115.26 106.59 1bal n ASN 24 Ca 0.19 -0.72 -0.35 0.00 1.68 0.00 0.00 54.58 55.38 1bal n ASN 24 Cb 0.48 -4.18 -0.10 0.00 -1.54 0.00 0.00 39.78 34.44 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bal s LEU 25 N -7.28 3.81 -0.61 3.41 1.43 -0.84 -5.01 118.68 113.59 1bal s LEU 25 Ca 0.63 0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 53.52 1bal s LEU 25 Cb -0.31 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1bal s LEU 25 CO 0.81 0.15 1.16 -0.62 0.23 0.00 0.00 176.35 178.07 1bal s ASP 26 N 0.53 6.37 0.42 2.29 -1.08 -1.26 -4.51 116.67 119.43 1bal s ASP 26 Ca 0.04 -0.11 0.20 0.00 -0.52 0.00 0.00 52.55 52.15 1bal s ASP 26 Cb -0.13 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.72 1bal s ASP 26 CO 0.01 -1.51 1.86 0.00 0.52 0.00 0.00 175.17 176.05 1bal h ALA 27 N 9.60 1.17 -0.61 3.66 0.00 -1.96 -2.85 119.26 128.27 1bal h ALA 27 Ca -0.26 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 54.56 1bal h ALA 27 Cb 1.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1bal h ALA 27 CO 1.19 0.36 0.83 1.03 0.00 0.00 0.00 179.25 182.66 1bal h SER 28 N 0.00 0.00 0.54 0.00 0.87 -2.05 1.34 113.55 114.24 1bal h SER 28 Ca -0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 1bal h SER 28 Cb 0.67 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 1bal h SER 28 CO 0.04 0.00 -1.63 0.00 -0.53 0.00 0.00 176.83 174.71 1bal h ALA 29 N 0.91 0.69 -2.34 6.23 0.00 -1.92 -3.45 119.26 119.39 1bal h ALA 29 Ca 0.29 -1.39 -0.57 0.00 0.00 0.00 0.00 54.91 53.25 1bal h ALA 29 Cb 1.95 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 20.10 1bal h ALA 29 CO -0.00 1.52 0.46 0.42 0.00 0.00 0.00 179.25 181.65 1bal s ILE 30 N -2.61 4.84 -0.15 0.00 -1.09 0.46 -5.03 121.20 117.62 1bal s ILE 30 Ca -0.05 1.81 -0.13 0.00 -2.23 0.00 0.00 60.65 60.04 1bal s ILE 30 Cb 0.08 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1bal s ILE 30 CO 0.82 0.02 0.29 -0.54 -1.23 0.00 0.00 174.94 174.30 1bal s LYS 31 N 2.07 4.20 -0.26 2.79 1.02 -1.26 -4.92 119.74 123.37 1bal s LYS 31 Ca 0.42 0.09 -0.15 0.00 0.02 0.00 0.00 55.97 56.35 1bal s LYS 31 Cb -0.17 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 1bal s LYS 31 CO 0.15 0.29 0.39 0.20 -0.92 0.00 0.00 175.35 175.46 1bal s GLY 32 N 0.32 1.89 -0.32 -3.33 0.00 -1.26 -4.91 107.32 99.70 1bal s GLY 32 Ca 0.17 -0.77 0.14 0.00 0.00 0.00 0.00 44.72 44.25 1bal s GLY 32 CO 0.04 1.01 1.10 -1.30 0.00 0.00 0.00 173.10 173.95 1bal n THR 33 N 5.08 1.79 -0.25 0.90 -2.24 -1.26 -4.58 114.28 113.71 1bal n THR 33 Ca -0.08 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 57.96 1bal n THR 33 Cb 0.51 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1bal n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bal n GLY 34 N -0.48 -1.95 2.66 3.38 0.00 -1.24 -4.75 105.19 102.81 1bal n GLY 34 Ca 0.25 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1bal n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bal n VAL 35 N -1.22 3.26 0.00 1.61 0.31 -1.26 -2.75 118.33 118.27 1bal n VAL 35 Ca 0.00 -2.41 0.00 0.00 -0.01 0.00 0.00 64.34 61.92 1bal n VAL 35 Cb 0.00 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.44 1bal n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bal n GLY 36 N 3.98 0.06 0.31 2.92 0.00 -1.26 -4.82 105.19 106.37 1bal n GLY 36 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1bal n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bal n GLY 37 N 0.00 0.91 3.66 -0.02 0.00 -1.11 -5.06 105.19 103.57 1bal n GLY 37 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1bal n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bal s ARG 38 N -0.36 4.25 -0.44 1.61 3.00 -1.26 -4.71 118.95 121.04 1bal s ARG 38 Ca 0.00 0.96 -0.27 0.00 0.00 0.00 0.00 55.73 56.42 1bal s ARG 38 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 34.95 31.33 1bal s ARG 38 CO 0.00 -0.38 1.88 -1.17 0.00 0.00 0.00 175.30 175.63 1bal s LEU 39 N 2.36 3.42 0.46 2.53 2.96 -1.26 -3.63 118.68 125.52 1bal s LEU 39 Ca 0.36 0.95 0.06 0.00 -0.22 0.00 0.00 54.13 55.29 1bal s LEU 39 Cb -0.16 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 43.47 1bal s LEU 39 CO 0.10 -2.05 0.63 0.42 -1.32 0.00 0.00 176.35 174.13 1bal s THR 40 N 8.15 2.90 0.23 3.68 -4.23 -1.26 -4.98 115.64 120.13 1bal s THR 40 Ca 0.77 -0.92 0.35 0.00 -1.18 0.00 0.00 61.69 60.72 1bal s THR 40 Cb -0.19 -2.98 0.39 0.00 1.34 0.00 0.00 72.50 71.07 1bal s THR 40 CO 0.28 0.00 2.06 -0.09 -0.54 0.00 0.00 174.62 176.33 1bal h ARG 41 N 0.49 0.00 -0.84 3.99 2.43 -1.99 -2.81 114.38 115.66 1bal h ARG 41 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1bal h ARG 41 Cb 1.28 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 1bal h ARG 41 CO 0.47 0.02 0.52 0.93 -1.51 0.00 0.00 179.97 180.40 1bal h GLU 42 N 0.00 1.13 0.00 0.20 4.39 -1.98 0.96 114.58 119.27 1bal h GLU 42 Ca -0.00 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1bal h GLU 42 Cb 0.41 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1bal h GLU 42 CO 0.00 0.78 -0.10 -0.44 -1.16 0.00 0.00 179.01 178.08 1bal h ASP 43 N 1.15 0.00 0.41 1.42 3.32 -1.85 -2.92 116.42 117.95 1bal h ASP 43 Ca 0.30 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 1bal h ASP 43 Cb -0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1bal h ASP 43 CO -0.06 0.10 -1.59 0.52 -1.72 0.00 0.00 179.24 176.49 1bal n VAL 44 N -3.22 0.27 -0.03 -1.35 0.31 -0.46 -4.50 118.33 109.35 1bal n VAL 44 Ca 0.01 -0.52 -0.03 0.00 -0.01 0.00 0.00 64.34 63.79 1bal n VAL 44 Cb 0.39 -0.15 -0.02 0.00 -0.91 0.00 0.00 33.84 33.15 1bal n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bal h GLU 45 N 0.00 -0.06 -0.28 5.55 4.81 0.11 1.00 114.58 125.71 1bal h GLU 45 Ca -0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1bal h GLU 45 Cb 1.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1bal h GLU 45 CO 0.00 -0.04 0.78 -0.22 -0.73 0.00 0.00 179.01 178.80 1bal h LYS 46 N -0.07 0.00 0.07 1.92 3.64 -1.79 0.44 116.57 120.78 1bal h LYS 46 Ca 0.01 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1bal h LYS 46 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1bal h LYS 46 CO -0.12 0.00 -0.72 1.25 -2.27 0.00 0.00 179.45 177.59 1bal h HIS 47 N 0.00 0.26 0.00 1.91 2.76 0.62 -3.24 115.15 117.46 1bal h HIS 47 Ca 0.13 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1bal h HIS 47 Cb 1.69 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.64 1bal h HIS 47 CO 0.00 1.28 0.00 1.28 -1.30 0.00 0.00 177.93 179.19 1bal n LEU 48 N -4.29 0.00 0.00 0.26 4.77 0.15 -4.27 117.00 113.61 1bal n LEU 48 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1bal n LEU 48 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1bal n LEU 48 CO 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 1bal n ALA 49 N -0.73 0.00 -0.30 -1.18 0.00 -0.80 -4.79 120.51 112.70 1bal n ALA 49 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.64 1bal n ALA 49 Cb 0.03 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.80 1bal n ALA 49 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bal h LYS 50 N 0.00 0.27 0.00 0.00 6.56 -1.84 -3.51 116.57 118.05 1bal h LYS 50 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1bal h LYS 50 Cb 0.00 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1bal h LYS 50 CO 0.00 0.18 0.00 0.00 -2.06 0.00 0.00 179.45 177.57