#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d49 s THR 2 N 0.00 1.11 -0.30 0.00 2.01 -1.26 -5.07 115.64 112.13 2d49 s THR 2 Ca 0.00 -0.51 -0.18 0.00 0.31 0.00 0.00 61.69 61.31 2d49 s THR 2 Cb 0.00 -0.99 0.19 0.00 0.01 0.00 0.00 72.50 71.71 2d49 s THR 2 CO 0.00 0.34 1.23 0.00 -0.69 0.00 0.00 174.62 175.50 2d49 s ALA 4 N 1.83 2.35 0.22 0.00 0.00 -1.26 -4.93 121.76 119.97 2d49 s ALA 4 Ca -0.02 0.67 -0.32 0.00 0.00 0.00 0.00 51.96 52.29 2d49 s ALA 4 Cb -0.02 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 2d49 s ALA 4 CO -0.15 -1.47 1.70 2.41 0.00 0.00 0.00 175.76 178.24 2d49 n THR 5 N -2.50 0.16 -1.54 0.00 -1.04 -1.26 -2.95 114.28 105.15 2d49 n THR 5 Ca 0.11 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.67 2d49 n THR 5 Cb 0.51 -1.95 0.01 0.00 -1.82 0.00 0.00 70.33 67.08 2d49 n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d49 n ALA 6 N 3.66 -0.66 -1.54 2.41 0.00 -1.26 -1.88 120.51 121.24 2d49 n ALA 6 Ca 0.15 0.22 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2d49 n ALA 6 Cb 0.35 -1.93 0.03 0.00 0.00 0.00 0.00 19.45 17.89 2d49 n ALA 6 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2d49 n TRP 7 N -0.58 0.27 -4.27 0.00 -0.00 -0.82 -4.67 117.44 107.37 2d49 n TRP 7 Ca 0.11 0.51 -0.17 0.00 -0.00 0.00 0.00 57.50 57.94 2d49 n TRP 7 Cb 0.38 -2.09 -0.14 0.00 -0.00 0.00 0.00 31.31 29.46 2d49 n TRP 7 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2d49 s SER 8 N -1.00 1.03 0.05 5.87 0.01 -1.26 -5.02 113.70 113.38 2d49 s SER 8 Ca 0.67 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.76 2d49 s SER 8 Cb -0.51 -0.08 -0.22 0.00 0.21 0.00 0.00 66.02 65.42 2d49 s SER 8 CO 0.54 0.04 1.02 0.77 0.41 0.00 0.00 173.24 176.02 2d49 h SER 9 N 5.54 0.01 -0.71 2.44 4.64 -1.98 -3.29 113.55 120.20 2d49 h SER 9 Ca -0.32 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 60.68 2d49 h SER 9 Cb 1.19 -0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.09 2d49 h SER 9 CO 0.47 1.01 0.38 -0.24 -0.87 0.00 0.00 176.83 177.59 2d49 n SER 10 N -3.23 3.96 -3.40 4.97 2.88 -1.26 -4.38 113.62 113.15 2d49 n SER 10 Ca -0.07 -3.15 -0.19 0.00 -1.33 0.00 0.00 58.87 54.13 2d49 n SER 10 Cb 0.99 -0.74 -0.10 0.00 -0.75 0.00 0.00 64.21 63.61 2d49 n SER 10 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d49 s SER 11 N -0.79 1.78 0.26 -3.46 0.01 -1.24 -5.13 113.70 105.13 2d49 s SER 11 Ca 0.46 -1.28 -0.30 0.00 1.31 0.00 0.00 55.95 56.14 2d49 s SER 11 Cb 0.37 0.35 -0.10 0.00 0.21 0.00 0.00 66.02 66.85 2d49 s SER 11 CO 0.10 -0.34 1.48 0.54 0.41 0.00 0.00 173.24 175.43 2d49 s VAL 12 N 1.84 2.52 0.40 3.43 0.11 -1.26 -4.68 120.40 122.76 2d49 s VAL 12 Ca 0.13 0.44 0.08 0.00 -2.93 0.00 0.00 61.98 59.69 2d49 s VAL 12 Cb -0.16 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 2d49 s VAL 12 CO -0.18 0.07 0.28 -0.31 -3.33 0.00 0.00 175.10 171.63 2d49 s TYR 13 N 0.03 2.70 0.07 1.54 2.02 -0.88 -4.97 117.35 117.85 2d49 s TYR 13 Ca 0.60 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 2d49 s TYR 13 Cb -0.43 -2.00 -0.00 0.00 -0.40 0.00 0.00 41.96 39.13 2d49 s TYR 13 CO 0.44 0.06 0.09 0.25 -1.57 0.00 0.00 175.55 174.82 2d49 n THR 14 N -1.39 0.00 -1.65 -0.71 -2.24 -1.26 -0.37 114.28 106.67 2d49 n THR 14 Ca 0.01 -0.41 -0.50 0.00 -2.27 0.00 0.00 64.05 60.88 2d49 n THR 14 Cb 0.62 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 2d49 n THR 14 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2d49 n ASN 15 N -2.25 2.54 0.00 3.42 0.23 -1.23 -0.47 115.26 117.50 2d49 n ASN 15 Ca 0.01 1.08 0.00 0.00 -0.53 0.00 0.00 54.58 55.14 2d49 n ASN 15 Cb 0.12 -1.30 0.00 0.00 -2.08 0.00 0.00 39.78 36.52 2d49 n ASN 15 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2d49 n GLY 16 N 3.32 3.10 3.68 4.83 0.00 -1.23 -4.89 105.19 114.00 2d49 n GLY 16 Ca 0.19 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.73 2d49 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d49 n GLY 17 N -1.04 1.45 3.64 -0.02 0.00 0.38 -4.79 105.19 104.81 2d49 n GLY 17 Ca 0.00 0.86 -0.32 0.00 0.00 0.00 0.00 46.02 46.56 2d49 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d49 s THR 18 N 3.95 3.83 0.25 2.61 2.01 -1.26 -1.42 115.64 125.60 2d49 s THR 18 Ca 0.92 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 2d49 s THR 18 Cb -0.69 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.10 2d49 s THR 18 CO 0.51 0.31 0.35 1.33 -0.69 0.00 0.00 174.62 176.43 2d49 n VAL 19 N 1.24 0.00 -4.25 3.82 0.24 0.49 -4.21 118.33 115.66 2d49 n VAL 19 Ca -0.14 -1.23 -0.21 0.00 -2.04 0.00 0.00 64.34 60.73 2d49 n VAL 19 Cb 0.52 0.76 -0.12 0.00 -1.47 0.00 0.00 33.84 33.54 2d49 n VAL 19 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2d49 s SER 20 N -2.51 2.18 -0.30 -1.34 0.15 -0.79 -0.43 113.70 110.67 2d49 s SER 20 Ca 0.20 -0.72 -0.24 0.00 0.70 0.00 0.00 55.95 55.89 2d49 s SER 20 Cb -0.01 -0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.39 2d49 s SER 20 CO 0.14 -0.04 1.36 -0.47 1.20 0.00 0.00 173.24 175.43 2d49 s TYR 21 N -1.57 -0.12 -1.93 3.44 5.04 0.47 -1.94 117.35 120.73 2d49 s TYR 21 Ca 0.06 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2d49 s TYR 21 Cb -0.08 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.65 2d49 s TYR 21 CO 0.04 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.48 2d49 n ASN 22 N 1.86 -5.29 0.00 4.32 2.85 -1.26 -0.90 115.26 116.83 2d49 n ASN 22 Ca -0.11 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2d49 n ASN 22 Cb 0.57 -4.43 0.00 0.00 1.24 0.00 0.00 39.78 37.16 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d49 n GLY 23 N -0.72 0.90 1.50 8.20 0.00 -1.26 -5.02 105.19 108.79 2d49 n GLY 23 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 2d49 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d49 n ARG 24 N -2.00 1.38 -5.06 1.61 3.00 -0.08 -0.44 116.66 115.07 2d49 n ARG 24 Ca 0.00 -1.47 -0.31 0.00 -0.01 0.00 0.00 57.85 56.07 2d49 n ARG 24 Cb 0.00 0.31 -0.17 0.00 0.00 0.00 0.00 32.46 32.60 2d49 n ARG 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2d49 s ASN 25 N -2.20 2.84 -0.09 0.55 0.01 -0.79 -0.39 114.94 114.86 2d49 s ASN 25 Ca 0.05 -0.51 -0.00 0.00 -0.71 0.00 0.00 52.86 51.68 2d49 s ASN 25 Cb -0.00 -1.30 -0.03 0.00 0.41 0.00 0.00 41.25 40.33 2d49 s ASN 25 CO 0.03 0.13 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.39 2d49 s TYR 26 N 0.44 2.99 -0.16 2.20 1.51 0.43 -0.08 117.35 124.69 2d49 s TYR 26 Ca -0.17 -0.01 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2d49 s TYR 26 Cb -0.17 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 2d49 s TYR 26 CO 0.07 0.28 -0.18 0.99 -1.11 0.00 0.00 175.55 175.60 2d49 s THR 27 N -0.60 1.87 0.98 -0.71 2.01 0.51 -0.38 115.64 119.33 2d49 s THR 27 Ca 0.09 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 2d49 s THR 27 Cb -0.12 -1.70 0.18 0.00 0.01 0.00 0.00 72.50 70.87 2d49 s THR 27 CO 0.02 0.51 1.11 0.00 -0.69 0.00 0.00 174.62 175.57 2d49 s ALA 28 N 1.24 1.22 -0.03 7.40 0.00 -0.51 -2.45 121.76 128.63 2d49 s ALA 28 Ca 0.02 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.58 2d49 s ALA 28 Cb -0.14 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 2d49 s ALA 28 CO -0.09 -2.68 0.09 1.17 0.00 0.00 0.00 175.76 174.25 2d49 n LYS 29 N -4.05 1.37 -2.81 0.00 3.00 -1.11 -3.56 118.16 110.99 2d49 n LYS 29 Ca 0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.31 58.31 2d49 n LYS 29 Cb 0.58 -1.15 0.01 0.00 0.00 0.00 0.00 35.03 34.48 2d49 n LYS 29 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 2d49 n TRP 30 N -1.92 -1.19 -1.64 5.64 2.14 -1.26 -4.10 117.44 115.10 2d49 n TRP 30 Ca -0.05 -0.82 -0.50 0.00 2.07 0.00 0.00 57.50 58.20 2d49 n TRP 30 Cb 0.38 0.40 -0.05 0.00 -0.81 0.00 0.00 31.31 31.23 2d49 n TRP 30 CO 0.00 0.00 0.00 1.87 2.07 0.00 0.00 177.69 181.63 2d49 n TRP 31 N -0.40 1.90 -3.72 -2.67 -0.00 -1.26 -3.54 117.44 107.75 2d49 n TRP 31 Ca -0.02 0.44 -0.12 0.00 -0.00 0.00 0.00 57.50 57.80 2d49 n TRP 31 Cb 0.34 -2.45 -0.10 0.00 -0.00 0.00 0.00 31.31 29.10 2d49 n TRP 31 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2d49 s THR 32 N 1.38 -0.01 0.51 5.87 -1.32 0.50 -4.94 115.64 117.64 2d49 s THR 32 Ca 0.85 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 61.33 2d49 s THR 32 Cb -0.86 -0.61 0.11 0.00 -1.51 0.00 0.00 72.50 69.63 2d49 s THR 32 CO 0.47 0.01 0.70 0.00 -2.21 0.00 0.00 174.62 173.59 2d49 n GLN 33 N 3.20 -0.11 -1.46 7.08 1.13 -1.26 -2.07 117.38 123.88 2d49 n GLN 33 Ca -0.16 -1.63 -0.45 0.00 -1.94 0.00 0.00 57.00 52.82 2d49 n GLN 33 Cb 0.57 -0.55 -0.09 0.00 0.11 0.00 0.00 30.24 30.28 2d49 n GLN 33 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2d49 n ASN 34 N -3.10 1.45 -3.80 1.08 5.15 -1.26 -4.87 115.26 109.90 2d49 n ASN 34 Ca 0.11 0.16 -0.12 0.00 -0.60 0.00 0.00 54.58 54.12 2d49 n ASN 34 Cb 0.38 -1.19 -0.11 0.00 -0.53 0.00 0.00 39.78 38.32 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2d49 s GLU 35 N 7.54 0.33 -0.18 1.20 2.02 -1.26 -5.09 118.70 123.26 2d49 s GLU 35 Ca 1.16 0.17 -0.29 0.00 0.02 0.00 0.00 54.97 56.04 2d49 s GLU 35 Cb -0.90 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 33.44 2d49 s GLU 35 CO 0.46 -0.06 2.05 1.03 0.02 0.00 0.00 175.26 178.76 2d49 s ARG 36 N -0.22 3.44 0.46 1.61 3.00 -1.26 -4.95 118.95 121.04 2d49 s ARG 36 Ca -0.03 2.04 -0.23 0.00 0.00 0.00 0.00 55.73 57.51 2d49 s ARG 36 Cb -0.03 -4.27 -0.07 0.00 0.00 0.00 0.00 34.95 30.58 2d49 s ARG 36 CO 0.01 -1.74 1.16 -1.25 0.00 0.00 0.00 175.30 173.48 2d49 s PRO 37 N 5.68 3.74 0.00 3.54 0.04 -1.26 -3.39 135.00 143.34 2d49 s PRO 37 Ca 0.92 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2d49 s PRO 37 Cb -0.33 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2d49 s PRO 37 CO 0.36 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.24 2d49 n GLY 38 N 0.43 2.53 0.18 0.56 0.00 -1.23 -4.75 105.19 102.91 2d49 n GLY 38 Ca 0.08 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.79 2d49 n GLY 38 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2d49 h THR 39 N 0.00 0.42 -4.04 2.61 2.02 -1.85 -3.45 112.91 108.61 2d49 h THR 39 Ca 0.00 -1.58 -0.69 0.00 0.77 0.00 0.00 66.41 64.91 2d49 h THR 39 Cb 0.00 2.20 -0.23 0.00 -1.74 0.00 0.00 68.15 68.37 2d49 h THR 39 CO 0.00 0.24 -0.87 -0.55 0.37 0.00 0.00 175.52 174.71 2d49 s SER 40 N -6.32 3.32 0.62 4.18 0.15 -1.25 -5.00 113.70 109.40 2d49 s SER 40 Ca 0.05 -0.66 0.32 0.00 0.70 0.00 0.00 55.95 56.36 2d49 s SER 40 Cb 0.06 -0.28 1.75 0.00 -1.71 0.00 0.00 66.02 65.84 2d49 s SER 40 CO 0.70 0.21 2.07 0.44 1.20 0.00 0.00 173.24 177.86 2d49 h ASP 41 N 4.23 0.00 -0.50 5.45 3.32 -1.96 -2.21 116.42 124.75 2d49 h ASP 41 Ca -0.49 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.66 2d49 h ASP 41 Cb 1.16 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.62 2d49 h ASP 41 CO 0.41 0.00 -0.11 0.58 -1.72 0.00 0.00 179.24 178.40 2d49 h VAL 42 N 0.00 0.51 -3.39 -1.35 2.07 -1.95 -3.39 116.25 108.75 2d49 h VAL 42 Ca 0.07 -0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.96 2d49 h VAL 42 Cb 0.55 0.50 -0.18 0.00 -1.52 0.00 0.00 31.29 30.65 2d49 h VAL 42 CO -0.00 0.00 -0.58 0.26 0.02 0.00 0.00 177.57 177.27 2d49 s TRP 43 N -6.22 3.20 -0.02 1.57 0.52 -0.83 -2.75 118.94 114.41 2d49 s TRP 43 Ca -0.14 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 55.98 2d49 s TRP 43 Cb 0.16 -2.12 -0.00 0.00 -1.15 0.00 0.00 33.47 30.36 2d49 s TRP 43 CO 0.72 0.03 -0.12 0.00 0.02 0.00 0.00 176.95 177.60 2d49 s ALA 44 N 0.68 1.03 -0.02 0.98 0.00 -1.02 -3.56 121.76 119.86 2d49 s ALA 44 Ca 0.03 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 2d49 s ALA 44 Cb -0.13 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 2d49 s ALA 44 CO 0.02 0.21 2.02 -0.40 0.00 0.00 0.00 175.76 177.61 2d49 n ASP 45 N 3.02 3.96 -0.86 0.00 5.75 -1.26 -0.36 116.55 126.80 2d49 n ASP 45 Ca -0.16 0.77 0.09 0.00 -0.01 0.00 0.00 54.79 55.48 2d49 n ASP 45 Cb 0.55 -1.52 0.26 0.00 -1.03 0.00 0.00 41.12 39.37 2d49 n ASP 45 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2d49 n LYS 46 N 7.73 2.85 -1.36 0.11 4.81 0.89 -4.89 118.16 128.29 2d49 n LYS 46 Ca 0.22 -2.84 0.00 0.00 -0.87 0.00 0.00 58.31 54.82 2d49 n LYS 46 Cb 0.41 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.62 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d49 n GLY 47 N -0.56 0.41 3.51 3.14 0.00 -1.23 -4.95 105.19 105.51 2d49 n GLY 47 Ca 0.21 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 2d49 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d49 s ALA 48 N -1.00 2.82 -0.16 4.61 0.00 -1.26 -1.89 121.76 124.88 2d49 s ALA 48 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 51.96 50.16 2d49 s ALA 48 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2d49 s ALA 48 CO 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 175.76 176.07 2d49 s GLY 50 N 0.32 2.16 -0.00 0.00 0.00 -1.07 -4.69 107.32 104.04 2d49 s GLY 50 Ca -0.01 -0.62 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 2d49 s GLY 50 CO 0.02 -0.24 0.03 -0.51 0.00 0.00 0.00 173.10 172.39 2d49 s THR 51 N -0.77 0.04 -0.14 0.90 -4.23 -1.26 -4.72 115.64 105.45 2d49 s THR 51 Ca 0.14 -0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.02 2d49 s THR 51 Cb -0.12 -0.16 0.10 0.00 1.34 0.00 0.00 72.50 73.66 2d49 s THR 51 CO 0.04 -0.19 0.86 -0.83 -0.54 0.00 0.00 174.62 173.96 2d49 s GLY 52 N -0.56 -0.39 0.00 3.99 0.00 -1.26 -5.20 107.32 103.90 2d49 s GLY 52 Ca -0.06 1.85 0.00 0.00 0.00 0.00 0.00 44.72 46.51 2d49 s GLY 52 CO -0.00 1.17 0.22 -1.26 0.00 0.00 0.00 173.10 173.23