#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 3.29 0.00 2.98 0.00 -1.26 -4.86 121.76 121.91 1bal s ALA 2 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1bal s ALA 2 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1bal s ALA 2 CO 0.00 -0.32 0.00 0.43 0.00 0.00 0.00 175.76 175.87 1bal n SER 3 N 3.78 0.00 0.02 0.00 7.64 -1.26 -4.91 113.62 118.90 1bal n SER 3 Ca 0.07 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.96 1bal n SER 3 Cb 0.48 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.74 1bal n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bal n LEU 4 N 0.00 0.06 -0.11 -3.43 -0.00 -1.26 -0.19 117.00 112.07 1bal n LEU 4 Ca 0.00 0.51 0.14 0.00 -0.00 0.00 0.00 56.01 56.66 1bal n LEU 4 Cb 0.00 -0.51 0.59 0.00 -0.00 0.00 0.00 43.42 43.50 1bal n LEU 4 CO 0.00 -0.53 0.86 -0.62 -0.00 0.00 0.00 177.39 177.10 1bal n GLU 5 N -1.56 0.63 -1.56 1.47 1.02 -1.26 -4.87 120.64 114.52 1bal n GLU 5 Ca -0.00 -0.22 -0.54 0.00 -0.02 0.00 0.00 57.16 56.38 1bal n GLU 5 Cb 0.02 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bal n GLU 6 N -0.99 1.15 -2.14 3.49 2.13 0.73 -4.90 120.64 120.11 1bal n GLU 6 Ca 0.14 0.37 -0.32 0.00 0.66 0.00 0.00 57.16 58.01 1bal n GLU 6 Cb 0.28 -2.28 -0.01 0.00 0.27 0.00 0.00 31.44 29.71 1bal n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1bal s GLN 7 N 4.98 3.62 0.12 5.31 -0.21 -1.26 -4.93 119.66 127.29 1bal s GLN 7 Ca 1.04 1.00 -0.35 0.00 0.02 0.00 0.00 55.36 57.07 1bal s GLN 7 Cb -0.97 -2.08 -0.17 0.00 1.00 0.00 0.00 33.01 30.79 1bal s GLN 7 CO 0.57 -0.55 1.16 -1.71 -2.12 0.00 0.00 175.29 172.64 1bal n ASN 8 N -2.03 1.08 -4.59 5.90 5.15 -1.26 -4.77 115.26 114.74 1bal n ASN 8 Ca 0.07 1.14 -0.42 0.00 -0.60 0.00 0.00 54.58 54.77 1bal n ASN 8 Cb 0.54 -1.15 -0.03 0.00 -0.53 0.00 0.00 39.78 38.61 1bal n ASN 8 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1bal s ASN 9 N 0.08 5.65 0.46 1.20 -0.87 -1.26 -4.92 114.94 115.28 1bal s ASN 9 Ca 0.79 1.33 -0.23 0.00 -1.57 0.00 0.00 52.86 53.17 1bal s ASN 9 Cb -0.95 -2.52 -0.09 0.00 -0.02 0.00 0.00 41.25 37.67 1bal s ASN 9 CO 0.51 -1.90 1.10 -0.90 -2.57 0.00 0.00 177.10 173.35 1bal n ASP 10 N 11.18 1.65 -0.31 -1.22 5.68 -1.26 -4.86 116.55 127.41 1bal n ASP 10 Ca 0.25 1.01 0.03 0.00 -0.50 0.00 0.00 54.79 55.58 1bal n ASP 10 Cb 0.47 -1.42 0.17 0.00 -1.14 0.00 0.00 41.12 39.20 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bal h ALA 11 N 1.51 1.23 -3.45 2.12 0.00 -2.04 -3.42 119.26 115.21 1bal h ALA 11 Ca -0.47 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1bal h ALA 11 Cb 1.33 -0.19 0.04 0.00 0.00 0.00 0.00 17.79 18.97 1bal h ALA 11 CO 0.57 0.19 0.08 1.28 0.00 0.00 0.00 179.25 181.37 1bal n LEU 12 N -4.67 0.00 -3.87 0.00 4.77 -1.26 -5.12 117.00 106.85 1bal n LEU 12 Ca 0.14 -0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 55.63 1bal n LEU 12 Cb 0.25 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1bal n LEU 12 CO 0.29 -0.70 0.03 -0.94 -1.33 0.00 0.00 177.39 174.74 1bal s SER 13 N -2.11 -0.02 0.63 -1.43 1.04 -1.26 -5.01 113.70 105.54 1bal s SER 13 Ca 0.17 -0.70 0.40 0.00 0.48 0.00 0.00 55.95 56.30 1bal s SER 13 Cb -0.01 0.44 2.15 0.00 0.10 0.00 0.00 66.02 68.71 1bal s SER 13 CO 0.12 -0.88 2.21 1.55 0.98 0.00 0.00 173.24 177.22 1bal h PRO 14 N 2.52 0.00 -0.98 4.02 0.13 -1.99 -1.10 132.00 134.58 1bal h PRO 14 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1bal h PRO 14 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1bal h PRO 14 CO 0.48 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 1bal n ALA 15 N -2.01 2.57 0.24 -0.56 0.00 -1.26 -3.31 120.51 116.18 1bal n ALA 15 Ca -0.03 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 15 Cb 0.12 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 1bal n ALA 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bal n ILE 16 N 0.08 0.27 0.00 0.00 3.06 -0.42 -4.03 119.36 118.31 1bal n ILE 16 Ca 0.01 -0.42 0.00 0.00 -2.50 0.00 0.00 62.75 59.84 1bal n ILE 16 Cb 0.32 -0.03 0.00 0.00 0.54 0.00 0.00 39.64 40.48 1bal n ILE 16 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1bal n ARG 17 N -2.29 0.00 0.04 9.51 1.74 -1.21 -3.80 116.66 120.65 1bal n ARG 17 Ca -0.01 0.41 0.01 0.00 -0.77 0.00 0.00 57.85 57.50 1bal n ARG 17 Cb 0.51 -0.91 0.07 0.00 -1.02 0.00 0.00 32.46 31.12 1bal n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bal n ARG 18 N -2.02 0.02 0.16 5.56 1.74 -1.26 -1.54 116.66 119.31 1bal n ARG 18 Ca 0.00 0.32 -0.07 0.00 -0.77 0.00 0.00 57.85 57.33 1bal n ARG 18 Cb 0.00 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1bal h LEU 19 N 0.00 -0.40 0.00 0.55 5.85 -1.70 -0.97 115.31 118.64 1bal h LEU 19 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1bal h LEU 19 Cb 0.55 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1bal h LEU 19 CO 0.00 -0.01 0.00 0.18 -0.34 0.00 0.00 178.44 178.27 1bal n LEU 20 N -4.83 0.00 -0.01 2.25 4.77 -0.59 -0.60 117.00 117.99 1bal n LEU 20 Ca -0.06 0.48 0.09 0.00 -0.03 0.00 0.00 56.01 56.49 1bal n LEU 20 Cb 0.19 -0.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.64 1bal n LEU 20 CO 0.14 -0.48 -0.74 0.00 -1.33 0.00 0.00 177.39 174.99 1bal n ALA 21 N -1.48 2.65 0.07 -1.18 0.00 -1.17 -2.54 120.51 116.86 1bal n ALA 21 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 53.44 52.64 1bal n ALA 21 Cb 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 1bal n ALA 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bal h GLU 22 N 0.00 0.38 0.00 0.00 4.22 0.57 -3.35 114.58 116.40 1bal h GLU 22 Ca -0.06 -0.64 0.00 0.00 0.08 0.00 0.00 59.36 58.74 1bal h GLU 22 Cb 1.13 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1bal h GLU 22 CO 0.00 1.31 -1.20 0.72 -2.18 0.00 0.00 179.01 177.66 1bal n HIS 23 N -3.88 0.19 -3.74 0.92 -0.00 -0.97 -5.00 115.22 102.75 1bal n HIS 23 Ca -0.19 0.06 -0.29 0.00 -0.00 0.00 0.00 57.72 57.30 1bal n HIS 23 Cb 0.97 -0.39 0.02 0.00 -0.00 0.00 0.00 29.99 30.58 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1bal n ASN 24 N -1.96 -5.19 -4.80 0.41 4.13 -1.05 -4.91 115.26 101.89 1bal n ASN 24 Ca 0.01 -0.95 -0.38 0.00 1.68 0.00 0.00 54.58 54.94 1bal n ASN 24 Cb 0.45 -2.57 -0.06 0.00 -1.54 0.00 0.00 39.78 36.06 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 -5.82 4.49 -0.54 3.41 1.43 -1.26 -5.03 118.68 115.37 1bal s LEU 25 Ca 0.24 1.17 -0.19 0.00 -1.03 0.00 0.00 54.13 54.32 1bal s LEU 25 Cb -0.11 -2.83 0.08 0.00 0.03 0.00 0.00 46.19 43.36 1bal s LEU 25 CO 0.89 0.25 0.63 -0.62 0.23 0.00 0.00 176.35 177.73 1bal s ASP 26 N -0.88 6.20 0.41 2.29 -1.08 -1.26 -4.88 116.67 117.47 1bal s ASP 26 Ca 0.28 -1.16 0.09 0.00 -0.52 0.00 0.00 52.55 51.24 1bal s ASP 26 Cb -0.19 -2.28 0.51 0.00 -1.46 0.00 0.00 42.92 39.50 1bal s ASP 26 CO 0.17 -0.96 1.16 0.00 0.52 0.00 0.00 175.17 176.07 1bal h ALA 27 N 9.05 1.42 -0.27 3.66 0.00 -1.96 -1.27 119.26 129.89 1bal h ALA 27 Ca -0.28 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1bal h ALA 27 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1bal h ALA 27 CO 1.01 -0.42 0.82 0.66 0.00 0.00 0.00 179.25 181.32 1bal h SER 28 N 0.00 0.00 0.00 0.00 4.64 -2.04 1.12 113.55 117.27 1bal h SER 28 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1bal h SER 28 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1bal h SER 28 CO 0.00 0.00 -1.65 0.00 -0.87 0.00 0.00 176.83 174.31 1bal n ALA 29 N -1.85 2.46 -2.55 5.18 0.00 -0.48 -5.00 120.51 118.26 1bal n ALA 29 Ca 0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 1bal n ALA 29 Cb 0.92 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 1bal n ALA 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bal s ILE 30 N -2.92 4.48 -0.13 0.00 -1.09 0.39 -5.10 121.20 116.83 1bal s ILE 30 Ca -0.05 -0.73 -0.02 0.00 -2.23 0.00 0.00 60.65 57.62 1bal s ILE 30 Cb 0.09 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1bal s ILE 30 CO 0.57 -0.33 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.16 1bal s LYS 31 N -4.29 3.43 -0.67 2.79 2.20 -1.26 -4.86 119.74 117.08 1bal s LYS 31 Ca 0.43 -0.53 -0.18 0.00 -0.36 0.00 0.00 55.97 55.33 1bal s LYS 31 Cb -0.10 -2.82 0.12 0.00 -1.51 0.00 0.00 37.83 33.52 1bal s LYS 31 CO 0.34 0.36 0.77 0.20 -0.36 0.00 0.00 175.35 176.66 1bal s GLY 32 N 0.04 1.90 -0.63 5.54 0.00 -1.26 -4.80 107.32 108.11 1bal s GLY 32 Ca -0.00 -2.43 0.01 0.00 0.00 0.00 0.00 44.72 42.30 1bal s GLY 32 CO 0.03 1.60 1.65 -1.30 0.00 0.00 0.00 173.10 175.08 1bal n THR 33 N 5.35 3.10 -2.28 0.90 -2.24 -1.24 -4.50 114.28 113.37 1bal n THR 33 Ca -0.02 -4.27 -0.27 0.00 -2.27 0.00 0.00 64.05 57.22 1bal n THR 33 Cb 0.44 -1.22 0.04 0.00 -2.10 0.00 0.00 70.33 67.48 1bal n THR 33 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bal s GLY 34 N -2.25 1.62 0.40 3.38 0.00 -1.18 -4.88 107.32 104.41 1bal s GLY 34 Ca 0.53 -0.67 0.14 0.00 0.00 0.00 0.00 44.72 44.72 1bal s GLY 34 CO -0.23 -0.36 1.89 -2.08 0.00 0.00 0.00 173.10 172.33 1bal h VAL 35 N -0.31 0.79 -0.02 1.40 2.07 -1.95 0.11 116.25 118.34 1bal h VAL 35 Ca -0.45 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1bal h VAL 35 Cb 1.26 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1bal h VAL 35 CO 0.61 0.09 -0.48 0.61 0.02 0.00 0.00 177.57 178.42 1bal n GLY 36 N -1.50 0.02 0.50 2.17 0.00 -1.26 -4.94 105.19 100.18 1bal n GLY 36 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.41 0.85 0.00 -0.02 0.00 0.40 -5.09 105.19 102.74 1bal n GLY 37 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1bal n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bal n ARG 38 N -2.25 0.49 -3.54 1.61 1.85 -1.26 -4.65 116.66 108.92 1bal n ARG 38 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 1bal n ARG 38 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 1bal n ARG 38 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1bal s LEU 39 N 0.00 4.11 0.09 2.89 2.96 -1.26 -3.12 118.68 124.35 1bal s LEU 39 Ca 0.00 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1bal s LEU 39 Cb 0.00 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1bal s LEU 39 CO 0.00 -0.02 0.19 0.42 -1.32 0.00 0.00 176.35 175.62 1bal s THR 40 N 1.33 5.09 -0.33 3.68 -4.23 -1.26 -4.98 115.64 114.94 1bal s THR 40 Ca 0.12 -0.61 0.26 0.00 -1.18 0.00 0.00 61.69 60.28 1bal s THR 40 Cb -0.14 -3.52 0.28 0.00 1.34 0.00 0.00 72.50 70.46 1bal s THR 40 CO 0.07 0.06 1.78 -0.09 -0.54 0.00 0.00 174.62 175.90 1bal h ARG 41 N 2.87 0.00 0.00 3.99 2.43 -1.99 -2.35 114.38 119.33 1bal h ARG 41 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1bal h ARG 41 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1bal h ARG 41 CO 0.71 0.00 0.00 -1.91 -1.51 0.00 0.00 179.97 177.26 1bal n GLU 42 N -2.43 0.17 -0.13 0.20 4.07 -1.26 -2.25 120.64 119.02 1bal n GLU 42 Ca 0.02 0.39 -0.27 0.00 -0.06 0.00 0.00 57.16 57.24 1bal n GLU 42 Cb 0.23 -1.82 -0.10 0.00 -0.06 0.00 0.00 31.44 29.69 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1bal n ASP 43 N -2.14 1.93 -0.10 4.31 9.92 -0.89 -4.20 116.55 125.39 1bal n ASP 43 Ca 0.02 0.37 0.08 0.00 -0.53 0.00 0.00 54.79 54.73 1bal n ASP 43 Cb 0.23 -0.86 0.43 0.00 -0.64 0.00 0.00 41.12 40.27 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bal h VAL 44 N -1.00 0.99 -0.80 2.53 2.07 -1.59 -1.44 116.25 117.01 1bal h VAL 44 Ca -0.59 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1bal h VAL 44 Cb 1.51 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1bal h VAL 44 CO -0.36 0.10 0.49 -0.08 0.02 0.00 0.00 177.57 177.74 1bal h GLU 45 N 0.56 0.88 0.00 1.57 4.57 -1.65 0.21 114.58 120.72 1bal h GLU 45 Ca 0.26 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1bal h GLU 45 Cb 0.30 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1bal h GLU 45 CO -0.08 0.58 0.00 1.63 -1.18 0.00 0.00 179.01 179.96 1bal n LYS 46 N -4.66 0.37 -0.11 1.92 5.02 -0.54 -2.36 118.16 117.79 1bal n LYS 46 Ca 0.11 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 1bal n LYS 46 Cb 0.16 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1bal n HIS 47 N -0.99 0.23 0.28 2.13 -0.00 0.73 -4.32 115.22 113.27 1bal n HIS 47 Ca 0.09 0.06 0.15 0.00 0.46 0.00 0.00 57.72 58.48 1bal n HIS 47 Cb 0.04 -1.03 0.44 0.00 -0.12 0.00 0.00 29.99 29.32 1bal n HIS 47 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1bal h LEU 48 N -0.37 0.00-10.25 0.27 3.38 -1.30 -3.45 115.31 103.58 1bal h LEU 48 Ca -0.58 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.88 1bal h LEU 48 Cb 1.79 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.64 1bal h LEU 48 CO -0.18 0.00 0.36 0.00 0.09 0.00 0.00 178.44 178.71 1bal s ALA 49 N -3.42 2.49 -1.64 1.53 0.00 -1.00 -4.86 121.76 114.87 1bal s ALA 49 Ca 0.04 0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1bal s ALA 49 Cb 0.07 -3.27 0.28 0.00 0.00 0.00 0.00 23.12 20.21 1bal s ALA 49 CO 0.59 -1.31 0.93 1.63 0.00 0.00 0.00 175.76 177.59 1bal n LYS 50 N -2.76 0.11 0.00 0.00 5.02 -1.26 -5.01 118.16 114.26 1bal n LYS 50 Ca 0.09 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1bal n LYS 50 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88