#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nu2 s ASP 7 N 0.00 4.62 0.00 4.52 2.15 -1.26 -5.00 116.67 121.70 2nu2 s ASP 7 Ca 0.00 -0.27 0.19 0.00 0.43 0.00 0.00 52.55 52.89 2nu2 s ASP 7 Cb 0.00 -1.79 0.52 0.00 -0.30 0.00 0.00 42.92 41.35 2nu2 s ASP 7 CO 0.00 0.04 1.43 0.00 -0.17 0.00 0.00 175.17 176.47 2nu2 h SER 9 N 3.52 0.00 -0.11 0.00 4.64 -1.98 -1.36 113.55 118.26 2nu2 h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nu2 h SER 9 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2nu2 h SER 9 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2nu2 n GLU 10 N -4.30 1.43 -3.99 4.77 1.02 -1.26 -4.84 120.64 113.47 2nu2 n GLU 10 Ca 0.02 -0.48 -0.23 0.00 -0.02 0.00 0.00 57.16 56.46 2nu2 n GLU 10 Cb 0.32 -1.31 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 2nu2 n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2nu2 s TYR 11 N -1.62 2.68 0.72 -0.32 1.51 -0.51 -4.68 117.35 115.12 2nu2 s TYR 11 Ca 0.09 -0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 2nu2 s TYR 11 Cb 0.05 -1.88 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 2nu2 s TYR 11 CO 0.04 0.18 1.10 -1.25 -1.11 0.00 0.00 175.55 174.51 2nu2 s PRO 12 N -3.93 2.65 -0.04 -1.71 0.04 -1.26 -5.04 135.00 125.70 2nu2 s PRO 12 Ca 0.41 0.33 0.07 0.00 0.04 0.00 0.00 61.00 61.85 2nu2 s PRO 12 Cb -0.00 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2nu2 s PRO 12 CO 0.24 -1.13 -0.24 0.15 0.04 0.00 0.00 177.00 176.05 2nu2 s LYS 13 N -5.37 2.28 0.57 4.56 1.02 -1.26 -5.03 119.74 116.50 2nu2 s LYS 13 Ca 0.59 -0.87 0.33 0.00 0.02 0.00 0.00 55.97 56.04 2nu2 s LYS 13 Cb -0.11 -2.03 1.68 0.00 -0.52 0.00 0.00 37.83 36.85 2nu2 s LYS 13 CO 0.50 0.43 2.13 -1.00 -0.92 0.00 0.00 175.35 176.49 2nu2 h PRO 14 N 5.88 0.00 -3.48 -1.68 0.13 -2.02 -3.44 132.00 127.38 2nu2 h PRO 14 Ca -0.36 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 2nu2 h PRO 14 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 2nu2 h PRO 14 CO 0.47 0.06 -0.46 0.00 -0.23 0.00 0.00 178.00 177.84 2nu2 s ALA 15 N -4.04 -0.36 0.03 -0.56 0.00 -1.26 -5.16 121.76 110.40 2nu2 s ALA 15 Ca -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.86 2nu2 s ALA 15 Cb 0.12 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2nu2 s ALA 15 CO 0.53 -0.24 -0.16 0.00 0.00 0.00 0.00 175.76 175.89 2nu2 s THR 17 N -0.73 1.92 -0.28 0.00 -4.23 -1.26 -4.99 115.64 106.06 2nu2 s THR 17 Ca 0.04 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.63 2nu2 s THR 17 Cb -0.08 -2.61 0.46 0.00 1.34 0.00 0.00 72.50 71.61 2nu2 s THR 17 CO 0.01 0.00 1.19 0.54 -0.54 0.00 0.00 174.62 175.82 2nu2 n ARG 18 N -4.15 3.35 -2.12 3.99 3.00 -1.26 -4.92 116.66 114.56 2nu2 n ARG 18 Ca 0.08 -4.06 -0.29 0.00 -0.01 0.00 0.00 57.85 53.57 2nu2 n ARG 18 Cb 0.59 -2.19 0.02 0.00 0.00 0.00 0.00 32.46 30.88 2nu2 n ARG 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2nu2 s GLU 19 N -3.56 3.26 -0.31 5.56 1.03 -1.26 -5.05 118.70 118.38 2nu2 s GLU 19 Ca 0.49 0.42 -0.04 0.00 0.03 0.00 0.00 54.97 55.88 2nu2 s GLU 19 Cb 0.40 -2.16 0.04 0.00 -0.80 0.00 0.00 34.13 31.62 2nu2 s GLU 19 CO 0.03 -0.65 0.04 -0.47 -1.33 0.00 0.00 175.26 172.88 2nu2 s TYR 20 N -3.11 3.23 -0.42 4.83 5.04 -1.26 -4.52 117.35 121.15 2nu2 s TYR 20 Ca 0.54 -1.63 0.04 0.00 -2.44 0.00 0.00 57.07 53.59 2nu2 s TYR 20 Cb -0.11 -2.17 0.17 0.00 0.35 0.00 0.00 41.96 40.20 2nu2 s TYR 20 CO 0.50 -0.76 0.43 1.03 -1.34 0.00 0.00 175.55 175.42 2nu2 s ARG 21 N 1.33 0.85 0.58 4.97 0.52 0.36 -5.03 118.95 122.53 2nu2 s ARG 21 Ca -0.03 -1.48 -0.19 0.00 -0.52 0.00 0.00 55.73 53.51 2nu2 s ARG 21 Cb -0.19 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 2nu2 s ARG 21 CO 0.00 -1.31 1.23 -1.25 0.02 0.00 0.00 175.30 173.99 2nu2 s PRO 22 N 0.68 3.01 0.06 3.54 0.04 -1.21 -3.92 135.00 137.20 2nu2 s PRO 22 Ca 0.27 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.24 2nu2 s PRO 22 Cb -0.04 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2nu2 s PRO 22 CO -0.10 -1.19 -0.13 -0.51 0.04 0.00 0.00 177.00 175.11 2nu2 s LEU 23 N -3.97 2.24 -0.27 -3.56 1.43 -0.19 -1.31 118.68 113.04 2nu2 s LEU 23 Ca 0.76 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 2nu2 s LEU 23 Cb -0.32 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 2nu2 s LEU 23 CO 0.35 -0.06 0.08 0.00 0.23 0.00 0.00 176.35 176.95 2nu2 s GLY 25 N 1.59 1.60 0.01 0.00 0.00 -0.67 -0.48 107.32 109.38 2nu2 s GLY 25 Ca 0.05 -0.65 0.10 0.00 0.00 0.00 0.00 44.72 44.22 2nu2 s GLY 25 CO 0.04 -0.37 1.31 -1.14 0.00 0.00 0.00 173.10 172.94 2nu2 n SER 26 N -2.61 0.02 -1.13 1.64 3.41 0.43 -0.88 113.62 114.50 2nu2 n SER 26 Ca 0.05 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 2nu2 n SER 26 Cb 0.57 -0.51 0.25 0.00 -0.26 0.00 0.00 64.21 64.27 2nu2 n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2nu2 n ASP 27 N -1.53 3.28 -0.58 4.04 5.68 -1.26 -4.91 116.55 121.27 2nu2 n ASP 27 Ca 0.02 -2.17 -0.08 0.00 -0.50 0.00 0.00 54.79 52.07 2nu2 n ASP 27 Cb 0.11 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.63 2nu2 n ASP 27 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2nu2 n ASN 28 N 0.93 -5.21 -4.82 -1.12 3.02 -0.06 -4.98 115.26 103.02 2nu2 n ASN 28 Ca 0.19 0.19 -0.37 0.00 -0.03 0.00 0.00 54.58 54.55 2nu2 n ASN 28 Cb 0.58 -3.37 -0.06 0.00 -0.61 0.00 0.00 39.78 36.31 2nu2 n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2nu2 s LYS 29 N -2.41 3.84 -0.16 3.52 2.20 -1.26 -4.87 119.74 120.60 2nu2 s LYS 29 Ca 0.00 0.08 -0.27 0.00 -0.36 0.00 0.00 55.97 55.42 2nu2 s LYS 29 Cb 0.00 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2nu2 s LYS 29 CO 0.00 0.58 0.91 0.99 -0.36 0.00 0.00 175.35 177.47 2nu2 s THR 30 N -0.57 4.82 -0.16 3.43 2.01 -1.26 -1.66 115.64 122.25 2nu2 s THR 30 Ca 0.17 1.80 -0.12 0.00 0.31 0.00 0.00 61.69 63.86 2nu2 s THR 30 Cb -0.14 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 2nu2 s THR 30 CO 0.06 -0.01 0.23 -0.31 -0.69 0.00 0.00 174.62 173.90 2nu2 s TYR 31 N 2.29 3.47 0.48 4.92 1.51 0.98 -4.94 117.35 126.05 2nu2 s TYR 31 Ca 0.42 0.52 0.14 0.00 -1.01 0.00 0.00 57.07 57.13 2nu2 s TYR 31 Cb -0.17 -2.23 1.13 0.00 -0.11 0.00 0.00 41.96 40.58 2nu2 s TYR 31 CO 0.13 0.33 2.10 0.78 -1.11 0.00 0.00 175.55 177.78 2nu2 h GLY 32 N 6.39 0.13 -1.94 0.71 0.00 -1.88 -0.50 103.07 105.98 2nu2 h GLY 32 Ca -0.43 -0.05 0.08 0.00 0.00 0.00 0.00 47.33 46.93 2nu2 h GLY 32 CO 0.73 0.05 0.30 0.54 0.00 0.00 0.00 176.54 178.16 2nu2 s ASN 33 N -6.98 -0.20 0.32 0.19 2.20 -1.25 -0.49 114.94 108.73 2nu2 s ASN 33 Ca -0.06 -0.64 0.00 0.00 -0.94 0.00 0.00 52.86 51.23 2nu2 s ASN 33 Cb 0.17 0.69 0.54 0.00 -2.00 0.00 0.00 41.25 40.64 2nu2 s ASN 33 CO 0.69 -1.29 1.99 0.50 -2.94 0.00 0.00 177.10 176.05 2nu2 h LYS 34 N 2.00 0.97 -0.31 3.55 3.64 -1.89 -1.42 116.57 123.11 2nu2 h LYS 34 Ca -0.22 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 2nu2 h LYS 34 Cb 1.24 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2nu2 h LYS 34 CO 0.26 0.64 -0.04 0.00 -2.27 0.00 0.00 179.45 178.04 2nu2 h ASN 36 N 0.35 0.59 0.27 0.00 4.21 -1.86 -1.56 115.58 117.58 2nu2 h ASN 36 Ca 0.08 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2nu2 h ASN 36 Cb 0.50 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 2nu2 h ASN 36 CO 0.02 0.50 -0.18 0.15 -1.29 0.00 0.00 177.43 176.64 2nu2 h PHE 37 N 0.63 -0.46 -0.44 1.19 3.57 -1.12 -1.74 116.94 118.58 2nu2 h PHE 37 Ca 0.17 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2nu2 h PHE 37 Cb 0.04 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2nu2 h PHE 37 CO -0.02 -0.27 0.14 0.00 -2.23 0.00 0.00 178.31 175.93 2nu2 h ASN 39 N 0.63 0.80 -0.53 0.00 2.35 -1.11 -1.74 115.58 115.98 2nu2 h ASN 39 Ca 0.15 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 2nu2 h ASN 39 Cb 0.18 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2nu2 h ASN 39 CO -0.01 0.95 0.06 0.00 -1.65 0.00 0.00 177.43 176.78 2nu2 h ALA 40 N 1.12 1.03 -0.49 -0.83 0.00 -0.66 0.51 119.26 119.95 2nu2 h ALA 40 Ca 0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2nu2 h ALA 40 Cb 0.64 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2nu2 h ALA 40 CO 0.04 0.61 0.30 0.28 0.00 0.00 0.00 179.25 180.49 2nu2 h VAL 41 N 0.88 1.15 -0.43 0.00 2.07 -0.68 -0.58 116.25 118.64 2nu2 h VAL 41 Ca 0.17 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2nu2 h VAL 41 Cb 0.43 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2nu2 h VAL 41 CO 0.01 0.15 0.17 0.58 0.02 0.00 0.00 177.57 178.50 2nu2 h VAL 42 N 0.66 1.20 0.00 2.57 2.07 -0.96 -1.68 116.25 120.11 2nu2 h VAL 42 Ca 0.18 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2nu2 h VAL 42 Cb -0.02 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2nu2 h VAL 42 CO -0.03 0.23 -0.03 -0.08 0.02 0.00 0.00 177.57 177.68 2nu2 h GLU 43 N 0.56 0.00 -0.12 1.57 4.81 -0.51 0.12 114.58 121.00 2nu2 h GLU 43 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2nu2 h GLU 43 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2nu2 h GLU 43 CO -0.01 0.03 0.00 -1.13 -0.73 0.00 0.00 179.01 177.17 2nu2 n SER 44 N -4.36 1.17 -3.23 1.04 3.41 -0.26 -4.89 113.62 106.50 2nu2 n SER 44 Ca -0.03 -1.64 -0.23 0.00 -0.26 0.00 0.00 58.87 56.71 2nu2 n SER 44 Cb 0.11 -0.08 0.06 0.00 -0.26 0.00 0.00 64.21 64.04 2nu2 n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2nu2 n ASN 45 N -0.00 -6.20 0.00 4.04 5.15 0.03 -2.75 115.26 115.53 2nu2 n ASN 45 Ca 0.15 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 2nu2 n ASN 45 Cb 0.25 -4.93 0.00 0.00 -0.53 0.00 0.00 39.78 34.57 2nu2 n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nu2 n GLY 46 N -1.74 0.44 0.10 8.20 0.00 -0.69 -4.95 105.19 106.55 2nu2 n GLY 46 Ca -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.33 2nu2 n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2nu2 h THR 47 N 0.00 0.47 -3.57 2.61 1.35 -1.72 -3.46 112.91 108.60 2nu2 h THR 47 Ca 0.00 -1.94 -0.52 0.00 -0.55 0.00 0.00 66.41 63.41 2nu2 h THR 47 Cb 0.00 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.40 2nu2 h THR 47 CO 0.00 0.27 0.27 -0.22 -0.25 0.00 0.00 175.52 175.59 2nu2 s LEU 48 N -5.77 4.55 0.27 3.87 2.96 -1.26 -5.04 118.68 118.26 2nu2 s LEU 48 Ca -0.03 1.72 0.02 0.00 -0.22 0.00 0.00 54.13 55.63 2nu2 s LEU 48 Cb 0.09 -3.44 -0.06 0.00 0.50 0.00 0.00 46.19 43.28 2nu2 s LEU 48 CO 0.81 0.08 0.07 0.42 -1.32 0.00 0.00 176.35 176.40 2nu2 s THR 49 N -0.59 0.83 -0.21 3.68 -4.23 -1.26 -4.84 115.64 109.02 2nu2 s THR 49 Ca 0.41 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.66 2nu2 s THR 49 Cb -0.23 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 2nu2 s THR 49 CO 0.28 -0.05 0.84 -0.22 -0.54 0.00 0.00 174.62 174.93 2nu2 s LEU 50 N -3.36 4.12 -0.13 4.79 2.96 -1.26 -0.43 118.68 125.36 2nu2 s LEU 50 Ca 0.36 1.11 -0.16 0.00 -0.22 0.00 0.00 54.13 55.22 2nu2 s LEU 50 Cb 0.08 -3.23 -0.14 0.00 0.50 0.00 0.00 46.19 43.40 2nu2 s LEU 50 CO 0.13 -0.48 0.39 -1.28 -1.32 0.00 0.00 176.35 173.79 2nu2 h SER 51 N 7.52 0.00 -5.24 3.68 0.87 -1.02 -3.46 113.55 115.91 2nu2 h SER 51 Ca -0.25 -0.53 0.17 0.00 -1.23 0.00 0.00 61.79 59.95 2nu2 h SER 51 Cb 1.11 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.97 2nu2 h SER 51 CO 0.86 0.84 0.50 -1.38 -0.53 0.00 0.00 176.83 177.12 2nu2 s HIS 52 N -1.98 -0.16 0.42 2.24 0.00 -1.09 -5.04 115.29 109.68 2nu2 s HIS 52 Ca -0.12 -0.11 -0.15 0.00 -3.00 0.00 0.00 55.06 51.68 2nu2 s HIS 52 Cb -0.01 0.62 -0.08 0.00 -4.00 0.00 0.00 32.58 29.11 2nu2 s HIS 52 CO 0.40 -0.76 0.85 -0.06 -1.00 0.00 0.00 174.74 174.17 2nu2 s PHE 53 N -3.22 3.41 0.00 0.38 0.08 -1.26 -0.73 117.98 116.65 2nu2 s PHE 53 Ca 0.11 1.30 0.00 0.00 0.12 0.00 0.00 56.93 58.46 2nu2 s PHE 53 Cb -0.01 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2nu2 s PHE 53 CO 0.00 -0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.40 2nu2 n GLY 54 N -1.03 -0.35 3.77 4.36 0.00 -0.43 -4.74 105.19 106.77 2nu2 n GLY 54 Ca 0.05 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 2nu2 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nu2 s LYS 55 N -1.04 2.97 0.00 1.61 -2.85 -1.26 -2.06 119.74 117.11 2nu2 s LYS 55 Ca 0.00 1.55 0.21 0.00 -1.00 0.00 0.00 55.97 56.73 2nu2 s LYS 55 Cb 0.00 -1.96 1.26 0.00 -2.06 0.00 0.00 37.83 35.08 2nu2 s LYS 55 CO 0.00 -1.15 1.65 0.00 0.10 0.00 0.00 175.35 175.95