#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 3.41 0.00 -0.72 0.00 -1.26 -4.63 121.76 118.56 1bal s ALA 2 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1bal s ALA 2 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1bal s ALA 2 CO 0.00 -2.11 0.00 0.45 0.00 0.00 0.00 175.76 174.10 1bal n SER 3 N 6.16 0.00 -0.07 0.00 2.88 -1.26 -4.58 113.62 116.74 1bal n SER 3 Ca -0.08 -0.01 -0.07 0.00 -1.33 0.00 0.00 58.87 57.38 1bal n SER 3 Cb 0.44 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.79 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1bal n LEU 4 N 0.00 0.00 0.05 2.46 4.32 -1.26 -4.49 117.00 118.08 1bal n LEU 4 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1bal n LEU 4 Cb 0.00 0.34 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 1bal n LEU 4 CO 0.00 0.34 -0.31 -0.62 -1.22 0.00 0.00 177.39 175.59 1bal n GLU 5 N -2.51 0.58 -3.46 3.23 1.02 -1.26 -4.79 120.64 113.45 1bal n GLU 5 Ca -0.23 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.68 1bal n GLU 5 Cb 0.95 -1.67 -0.12 0.00 -0.02 0.00 0.00 31.44 30.58 1bal n GLU 5 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1bal s GLU 6 N -3.41 0.25 -0.83 3.49 2.02 -1.26 -5.07 118.70 113.89 1bal s GLU 6 Ca -0.03 -0.12 -0.21 0.00 0.02 0.00 0.00 54.97 54.62 1bal s GLU 6 Cb 0.12 -0.95 -0.19 0.00 0.10 0.00 0.00 34.13 33.20 1bal s GLU 6 CO 0.84 -0.91 2.36 1.04 0.02 0.00 0.00 175.26 178.61 1bal n GLN 7 N 5.30 0.42 0.00 1.61 3.00 -1.26 -4.27 117.38 122.18 1bal n GLN 7 Ca -0.04 -0.51 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 1bal n GLN 7 Cb 0.46 -2.84 0.00 0.00 0.00 0.00 0.00 30.24 27.86 1bal n GLN 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1bal n ASN 8 N 14.51 0.00 -4.85 1.08 5.15 -1.26 -5.01 115.26 124.87 1bal n ASN 8 Ca 0.53 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 54.19 1bal n ASN 8 Cb 0.34 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.54 1bal n ASN 8 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bal s ASN 9 N -1.00 6.74 0.67 1.20 3.84 -1.26 -5.08 114.94 120.05 1bal s ASN 9 Ca 0.00 1.29 0.01 0.00 0.21 0.00 0.00 52.86 54.36 1bal s ASN 9 Cb 0.00 -2.38 0.10 0.00 -0.55 0.00 0.00 41.25 38.42 1bal s ASN 9 CO 0.00 -0.26 0.93 -1.81 -2.79 0.00 0.00 177.10 173.17 1bal s ASP 10 N -2.43 4.62 -0.01 -4.21 1.11 -1.26 -5.05 116.67 109.45 1bal s ASP 10 Ca 0.54 -0.32 -0.30 0.00 0.18 0.00 0.00 52.55 52.66 1bal s ASP 10 Cb -0.10 -0.19 0.11 0.00 1.07 0.00 0.00 42.92 43.81 1bal s ASP 10 CO 0.20 -1.65 1.21 0.00 1.18 0.00 0.00 175.17 176.10 1bal s ALA 11 N -3.02 -2.10 0.42 5.23 0.00 -1.26 -5.14 121.76 115.89 1bal s ALA 11 Ca 0.64 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 1bal s ALA 11 Cb -0.07 0.35 -0.11 0.00 0.00 0.00 0.00 23.12 23.29 1bal s ALA 11 CO 0.42 -0.99 0.82 1.28 0.00 0.00 0.00 175.76 177.30 1bal n LEU 12 N -0.43 1.56 -4.73 0.00 4.77 -1.26 -4.99 117.00 111.91 1bal n LEU 12 Ca -0.07 0.98 -0.23 0.00 -0.03 0.00 0.00 56.01 56.66 1bal n LEU 12 Cb 0.62 -1.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 1bal n LEU 12 CO 0.12 -2.06 -0.21 -0.44 -1.33 0.00 0.00 177.39 173.46 1bal s SER 13 N -0.85 4.79 0.63 -1.43 0.01 -1.26 -5.00 113.70 110.59 1bal s SER 13 Ca 0.64 -0.67 0.41 0.00 1.31 0.00 0.00 55.95 57.64 1bal s SER 13 Cb -0.58 -0.84 2.13 0.00 0.21 0.00 0.00 66.02 66.94 1bal s SER 13 CO 0.57 -0.22 2.25 1.55 0.41 0.00 0.00 173.24 177.80 1bal h PRO 14 N 1.58 0.00 0.15 12.44 0.13 -2.03 -2.80 132.00 141.47 1bal h PRO 14 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.37 1bal h PRO 14 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bal h PRO 14 CO 0.62 0.00 -1.58 0.00 -0.23 0.00 0.00 178.00 176.81 1bal h ALA 15 N 2.00 0.16 0.00 -0.56 0.00 -1.97 -3.31 119.26 115.60 1bal h ALA 15 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1bal h ALA 15 Cb 0.13 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bal h ALA 15 CO 0.00 0.92 0.41 1.51 0.00 0.00 0.00 179.25 182.09 1bal n ILE 16 N -3.76 0.50 -0.03 0.00 3.06 -1.06 0.06 119.36 118.13 1bal n ILE 16 Ca -0.25 0.69 -0.21 0.00 -2.50 0.00 0.00 62.75 60.48 1bal n ILE 16 Cb 0.99 -1.69 -0.13 0.00 0.54 0.00 0.00 39.64 39.35 1bal n ILE 16 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1bal h ARG 17 N 0.00 0.17 -0.98 9.51 3.08 -1.68 -3.36 114.38 121.12 1bal h ARG 17 Ca 0.00 -0.29 -0.42 0.00 0.07 0.00 0.00 59.98 59.34 1bal h ARG 17 Cb 0.83 0.11 -0.25 0.00 0.08 0.00 0.00 29.97 30.73 1bal h ARG 17 CO 0.00 1.14 0.53 0.54 -1.07 0.00 0.00 179.97 181.11 1bal n ARG 18 N -3.97 2.21 -0.08 0.04 1.74 0.11 -4.31 116.66 112.40 1bal n ARG 18 Ca -0.29 -2.60 -0.11 0.00 -0.77 0.00 0.00 57.85 54.08 1bal n ARG 18 Cb 0.87 -2.02 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bal n LEU 19 N -0.83 1.80 0.20 0.55 7.94 -0.56 -4.30 117.00 121.80 1bal n LEU 19 Ca 0.50 0.30 -0.13 0.00 -1.11 0.00 0.00 56.01 55.57 1bal n LEU 19 Cb 1.49 -0.69 -0.07 0.00 0.53 0.00 0.00 43.42 44.68 1bal n LEU 19 CO 0.51 -0.18 0.48 -0.07 -1.11 0.00 0.00 177.39 177.01 1bal h LEU 20 N -0.86 -0.45 0.00 -1.96 3.38 -1.77 -2.35 115.31 111.30 1bal h LEU 20 Ca -0.12 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1bal h LEU 20 Cb 0.98 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1bal h LEU 20 CO -0.07 -0.07 0.03 0.00 0.09 0.00 0.00 178.44 178.42 1bal n ALA 21 N -2.55 1.09 -0.10 1.53 0.00 -1.26 0.42 120.51 119.65 1bal n ALA 21 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1bal n ALA 21 Cb 0.29 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 1bal n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bal n GLU 22 N -1.15 0.67 0.00 0.00 4.07 -0.96 -4.42 120.64 118.85 1bal n GLU 22 Ca 0.00 0.18 0.11 0.00 -0.06 0.00 0.00 57.16 57.39 1bal n GLU 22 Cb 0.03 -1.56 0.01 0.00 -0.06 0.00 0.00 31.44 29.86 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1bal n HIS 23 N -3.33 0.05 -2.98 4.31 8.25 -0.28 -5.04 115.22 116.20 1bal n HIS 23 Ca -0.43 0.01 -0.01 0.00 -0.26 0.00 0.00 57.72 57.03 1bal n HIS 23 Cb 1.00 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.93 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 -1.61 -6.06 -4.44 0.41 3.02 0.17 -5.01 115.26 101.74 1bal n ASN 24 Ca 0.04 0.93 -0.22 0.00 -0.03 0.00 0.00 54.58 55.30 1bal n ASN 24 Cb 0.36 -2.66 -0.10 0.00 -0.61 0.00 0.00 39.78 36.77 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bal s LEU 25 N -0.58 2.59 -0.63 3.41 1.43 -1.26 -5.09 118.68 118.55 1bal s LEU 25 Ca -0.05 -1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 51.82 1bal s LEU 25 Cb 0.00 -0.93 0.13 0.00 0.03 0.00 0.00 46.19 45.43 1bal s LEU 25 CO 0.23 -0.08 0.65 -0.62 0.23 0.00 0.00 176.35 176.76 1bal s ASP 26 N -3.46 6.30 0.29 2.29 -1.08 -1.26 -4.88 116.67 114.87 1bal s ASP 26 Ca 0.28 -1.82 0.09 0.00 -0.52 0.00 0.00 52.55 50.59 1bal s ASP 26 Cb -0.02 -2.25 0.51 0.00 -1.46 0.00 0.00 42.92 39.70 1bal s ASP 26 CO 0.13 -0.92 1.14 0.00 0.52 0.00 0.00 175.17 176.04 1bal n ALA 27 N 5.50 0.51 -0.03 3.66 0.00 -1.26 -0.04 120.51 128.85 1bal n ALA 27 Ca -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1bal n ALA 27 Cb 0.42 -0.62 0.25 0.00 0.00 0.00 0.00 19.45 19.50 1bal n ALA 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bal h SER 28 N 0.00 0.57 1.98 0.00 0.87 -2.03 -2.05 113.55 112.89 1bal h SER 28 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1bal h SER 28 Cb 0.73 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1bal h SER 28 CO 0.00 0.64 0.00 0.00 -0.53 0.00 0.00 176.83 176.94 1bal h ALA 29 N 1.43 1.00 -2.18 6.23 0.00 -0.87 -3.45 119.26 121.41 1bal h ALA 29 Ca 0.12 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.56 1bal h ALA 29 Cb 0.38 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1bal h ALA 29 CO 0.01 0.00 -0.06 0.42 0.00 0.00 0.00 179.25 179.63 1bal s ILE 30 N -3.21 4.45 -1.14 0.00 -1.09 -0.77 -5.01 121.20 114.42 1bal s ILE 30 Ca 0.07 -0.31 -0.07 0.00 -2.23 0.00 0.00 60.65 58.12 1bal s ILE 30 Cb 0.05 -3.66 0.26 0.00 -1.58 0.00 0.00 42.46 37.54 1bal s ILE 30 CO 0.67 -0.51 1.53 0.29 -1.23 0.00 0.00 174.94 175.69 1bal n LYS 31 N -2.08 4.06 -2.31 2.79 4.76 -1.26 -4.93 118.16 119.19 1bal n LYS 31 Ca -0.00 -4.24 -0.42 0.00 -2.87 0.00 0.00 58.31 50.77 1bal n LYS 31 Cb 0.57 -2.65 -0.00 0.00 -1.84 0.00 0.00 35.03 31.10 1bal n LYS 31 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bal n GLY 32 N 2.06 3.10 1.37 0.72 0.00 -1.26 -4.64 105.19 106.54 1bal n GLY 32 Ca 0.30 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.91 1bal n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bal n THR 33 N 6.04 1.49 -0.42 2.61 -2.24 -1.26 -4.36 114.28 116.14 1bal n THR 33 Ca 0.50 -0.98 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1bal n THR 33 Cb 0.44 0.08 0.14 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.05 -2.07 3.51 3.38 0.00 -1.24 -4.42 105.19 105.39 1bal n GLY 34 Ca 0.22 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.29 -0.02 0.00 1.61 0.31 -1.26 0.37 118.33 115.04 1bal n VAL 35 Ca 0.07 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1bal n VAL 35 Cb 0.28 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 6.34 2.13 0.00 2.92 0.00 -1.26 -3.24 105.19 112.08 1bal n GLY 36 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.63 0.00 3.55 -0.02 0.00 0.16 -5.00 105.19 103.25 1bal n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1bal n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N 0.00 3.20 -0.00 1.61 3.52 -1.20 -4.67 118.95 121.40 1bal s ARG 38 Ca 0.00 -0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.13 1bal s ARG 38 Cb 0.00 -4.17 -0.08 0.00 -1.56 0.00 0.00 34.95 29.14 1bal s ARG 38 CO 0.00 -2.13 1.87 -1.17 -0.81 0.00 0.00 175.30 173.05 1bal s LEU 39 N 5.78 4.36 0.00 -0.88 2.96 -1.26 -3.73 118.68 125.91 1bal s LEU 39 Ca 0.37 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 1bal s LEU 39 Cb -0.08 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1bal s LEU 39 CO 0.16 -1.04 0.00 0.35 -1.32 0.00 0.00 176.35 174.50 1bal n THR 40 N 5.61 0.00 -0.10 3.68 -2.24 -1.26 -5.07 114.28 114.90 1bal n THR 40 Ca 0.19 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.83 1bal n THR 40 Cb 0.42 -1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 67.25 1bal n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1bal n ARG 41 N -0.19 0.53 0.29 -0.78 0.63 -1.26 -4.25 116.66 111.63 1bal n ARG 41 Ca 0.00 0.31 0.10 0.00 -0.92 0.00 0.00 57.85 57.34 1bal n ARG 41 Cb 0.00 -1.52 0.52 0.00 0.45 0.00 0.00 32.46 31.92 1bal n ARG 41 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1bal h GLU 42 N -1.00 0.00 -0.07 -0.14 4.11 -2.00 0.64 114.58 116.12 1bal h GLU 42 Ca -0.21 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.03 1bal h GLU 42 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1bal h GLU 42 CO -0.12 0.00 -0.77 -0.44 0.07 0.00 0.00 179.01 177.74 1bal h ASP 43 N 0.00 0.51 1.22 3.06 5.19 -1.96 -3.19 116.42 121.25 1bal h ASP 43 Ca 0.00 -0.35 -0.11 0.00 -0.62 0.00 0.00 57.03 55.95 1bal h ASP 43 Cb 0.97 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 1bal h ASP 43 CO 0.00 1.11 -0.82 0.58 -3.12 0.00 0.00 179.24 176.99 1bal h VAL 44 N 0.28 0.58 -0.02 -1.35 2.07 0.09 -3.37 116.25 114.53 1bal h VAL 44 Ca -0.04 -1.92 0.02 0.00 0.82 0.00 0.00 66.70 65.58 1bal h VAL 44 Cb 1.37 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 33.25 1bal h VAL 44 CO 0.13 0.33 -0.52 -0.08 0.02 0.00 0.00 177.57 177.45 1bal h GLU 45 N 0.00 -0.62 0.00 1.57 4.81 -1.37 0.58 114.58 119.55 1bal h GLU 45 Ca -0.06 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1bal h GLU 45 Cb 1.38 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1bal h GLU 45 CO 0.05 -0.41 0.27 0.36 -0.73 0.00 0.00 179.01 178.55 1bal n LYS 46 N -5.36 0.02 0.02 1.92 2.85 -1.25 0.08 118.16 116.43 1bal n LYS 46 Ca -0.07 0.31 -0.22 0.00 -1.05 0.00 0.00 58.31 57.28 1bal n LYS 46 Cb 0.38 -1.82 -0.14 0.00 -0.65 0.00 0.00 35.03 32.80 1bal n LYS 46 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1bal h HIS 47 N 0.00 0.52 0.00 5.58 2.76 -0.06 -3.46 115.15 120.48 1bal h HIS 47 Ca 0.00 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1bal h HIS 47 Cb 0.55 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1bal h HIS 47 CO 0.00 1.72 0.00 1.28 -1.30 0.00 0.00 177.93 179.63 1bal n LEU 48 N -3.61 0.00 -3.64 0.26 4.77 0.11 -5.12 117.00 109.77 1bal n LEU 48 Ca -0.29 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.63 1bal n LEU 48 Cb 1.02 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.05 1bal n LEU 48 CO 0.44 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.46 1bal s ALA 49 N -3.80 -2.09 -0.13 -1.18 0.00 -1.26 -5.04 121.76 108.26 1bal s ALA 49 Ca 0.00 1.76 0.19 0.00 0.00 0.00 0.00 51.96 53.91 1bal s ALA 49 Cb 0.00 -1.51 -0.17 0.00 0.00 0.00 0.00 23.12 21.44 1bal s ALA 49 CO 0.00 -0.19 0.68 1.17 0.00 0.00 0.00 175.76 177.42 1bal n LYS 50 N 1.59 0.64 0.00 0.00 4.81 -1.26 -5.15 118.16 118.78 1bal n LYS 50 Ca -0.10 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1bal n LYS 50 Cb 0.57 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57