#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 4.85 -0.30 0.00 2.01 -1.26 -4.98 115.64 115.97 2d49 s THR 2 Ca 0.00 -0.14 -0.17 0.00 0.31 0.00 0.00 61.69 61.68 2d49 s THR 2 Cb 0.00 -4.23 0.20 0.00 0.01 0.00 0.00 72.50 68.47 2d49 s THR 2 CO 0.00 -0.67 1.23 0.00 -0.69 0.00 0.00 174.62 174.49 2d49 s ALA 4 N 1.59 2.54 0.24 0.00 0.00 -1.26 -4.95 121.76 119.92 2d49 s ALA 4 Ca -0.04 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.15 2d49 s ALA 4 Cb -0.02 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 2d49 s ALA 4 CO -0.13 -1.15 1.67 2.41 0.00 0.00 0.00 175.76 178.56 2d49 n THR 5 N -2.25 0.38 -1.52 0.00 -1.04 -1.26 -2.91 114.28 105.69 2d49 n THR 5 Ca 0.10 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 2d49 n THR 5 Cb 0.52 -1.95 0.01 0.00 -1.82 0.00 0.00 70.33 67.09 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 3.26 -0.81 -1.57 2.41 0.00 -1.26 -1.90 120.51 120.63 2d49 n ALA 6 Ca 0.13 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 2d49 n ALA 6 Cb 0.35 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.70 0.88 -3.66 0.00 -0.00 -0.91 -4.67 117.44 108.39 2d49 n TRP 7 Ca 0.11 0.62 -0.26 0.00 -0.00 0.00 0.00 57.50 57.97 2d49 n TRP 7 Cb 0.39 -2.19 -0.17 0.00 -0.00 0.00 0.00 31.31 29.34 2d49 n TRP 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2d49 s SER 8 N -0.72 2.50 0.03 5.87 0.15 -1.26 -4.99 113.70 115.27 2d49 s SER 8 Ca 0.62 -0.66 0.17 0.00 0.70 0.00 0.00 55.95 56.77 2d49 s SER 8 Cb -0.62 -0.36 0.71 0.00 -1.71 0.00 0.00 66.02 64.04 2d49 s SER 8 CO 0.58 -0.33 1.53 -1.54 1.20 0.00 0.00 173.24 174.68 2d49 n SER 9 N 5.20 0.07 0.26 5.45 3.41 -1.26 -2.52 113.62 124.23 2d49 n SER 9 Ca -0.08 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.18 2d49 n SER 9 Cb 0.48 -0.53 0.66 0.00 -0.26 0.00 0.00 64.21 64.57 2d49 n SER 9 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2d49 h SER 10 N 0.00 0.00 -4.83 4.04 0.02 -2.01 -3.41 113.55 107.36 2d49 h SER 10 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2d49 h SER 10 Cb 0.29 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.63 2d49 h SER 10 CO 0.00 0.12 -0.72 -0.44 -1.14 0.00 0.00 176.83 174.66 2d49 s SER 11 N -6.00 0.72 0.34 3.07 0.01 -1.05 -5.10 113.70 105.69 2d49 s SER 11 Ca -0.01 -0.61 -0.18 0.00 1.31 0.00 0.00 55.95 56.46 2d49 s SER 11 Cb 0.11 0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.31 2d49 s SER 11 CO 0.58 -0.28 0.80 0.68 0.41 0.00 0.00 173.24 175.43 2d49 s VAL 12 N -1.79 4.57 -0.08 3.43 -7.23 -1.26 -4.69 120.40 113.34 2d49 s VAL 12 Ca -0.08 1.18 0.01 0.00 -1.81 0.00 0.00 61.98 61.27 2d49 s VAL 12 Cb -0.07 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 2d49 s VAL 12 CO -0.01 -0.15 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.23 2d49 s TYR 13 N -1.96 2.89 0.51 2.82 2.02 -0.65 -4.97 117.35 118.00 2d49 s TYR 13 Ca 0.55 -0.10 0.05 0.00 -0.37 0.00 0.00 57.07 57.20 2d49 s TYR 13 Cb -0.11 -1.73 0.05 0.00 -0.40 0.00 0.00 41.96 39.77 2d49 s TYR 13 CO 0.17 0.23 0.41 0.25 -1.57 0.00 0.00 175.55 175.04 2d49 n THR 14 N 2.46 0.00 -1.64 -0.71 -2.24 -1.26 -0.41 114.28 110.48 2d49 n THR 14 Ca -0.18 -1.99 -0.47 0.00 -2.27 0.00 0.00 64.05 59.14 2d49 n THR 14 Cb 0.53 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.89 2.54 0.00 3.42 0.23 -1.25 -0.98 115.26 117.33 2d49 n ASN 15 Ca -0.00 1.11 0.00 0.00 -0.53 0.00 0.00 54.58 55.16 2d49 n ASN 15 Cb 0.58 -1.36 0.00 0.00 -2.08 0.00 0.00 39.78 36.92 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 2.76 2.97 3.53 4.83 0.00 -1.25 -4.94 105.19 113.09 2d49 n GLY 16 Ca 0.16 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.53 0.79 3.89 -0.02 0.00 -0.16 -4.79 105.19 104.38 2d49 n GLY 17 Ca 0.00 0.87 -0.32 0.00 0.00 0.00 0.00 46.02 46.57 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 7.31 5.29 0.25 2.61 2.01 -1.26 -2.52 115.64 129.33 2d49 s THR 18 Ca 1.05 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2d49 s THR 18 Cb -0.65 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 68.34 2d49 s THR 18 CO 0.44 0.24 0.32 1.33 -0.69 0.00 0.00 174.62 176.27 2d49 n VAL 19 N 0.68 0.00 -4.25 3.82 0.24 0.40 -4.18 118.33 115.04 2d49 n VAL 19 Ca -0.09 -1.42 -0.21 0.00 -2.04 0.00 0.00 64.34 60.58 2d49 n VAL 19 Cb 0.52 0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 33.59 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 -2.61 2.22 -0.30 -1.34 0.15 -0.80 -0.38 113.70 110.64 2d49 s SER 20 Ca 0.23 -0.72 -0.24 0.00 0.70 0.00 0.00 55.95 55.92 2d49 s SER 20 Cb -0.00 -0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.39 2d49 s SER 20 CO 0.17 -0.03 1.37 -0.47 1.20 0.00 0.00 173.24 175.47 2d49 s TYR 21 N -1.53 -0.12 -1.93 3.44 5.04 0.45 -2.15 117.35 120.56 2d49 s TYR 21 Ca 0.06 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 2d49 s TYR 21 Cb -0.08 0.43 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 1.84 -5.29 0.00 4.32 4.05 -1.26 -0.90 115.26 118.02 2d49 n ASN 22 Ca -0.11 0.39 0.00 0.00 0.45 0.00 0.00 54.58 55.30 2d49 n ASN 22 Cb 0.57 -4.42 0.00 0.00 1.23 0.00 0.00 39.78 37.16 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2d49 n GLY 23 N -0.73 0.94 1.58 8.20 0.00 -1.26 -5.02 105.19 108.90 2d49 n GLY 23 Ca -0.19 0.00 -0.13 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 1.34 -4.87 1.61 3.00 -0.08 -0.42 116.66 115.24 2d49 n ARG 24 Ca 0.00 -1.53 -0.31 0.00 -0.01 0.00 0.00 57.85 56.00 2d49 n ARG 24 Cb 0.00 0.31 -0.17 0.00 0.00 0.00 0.00 32.46 32.61 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 -2.27 2.86 -0.15 0.55 0.01 -0.81 -0.41 114.94 114.73 2d49 s ASN 25 Ca 0.05 -0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 51.64 2d49 s ASN 25 Cb -0.00 -1.31 -0.03 0.00 0.41 0.00 0.00 41.25 40.31 2d49 s ASN 25 CO 0.03 0.10 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.40 2d49 s TYR 26 N 0.62 3.07 -0.18 2.20 2.02 0.49 -0.09 117.35 125.48 2d49 s TYR 26 Ca -0.13 -0.17 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2d49 s TYR 26 Cb -0.17 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2d49 s TYR 26 CO 0.03 0.06 -0.16 0.99 -1.57 0.00 0.00 175.55 174.91 2d49 s THR 27 N 0.19 2.44 0.97 -0.71 2.01 0.53 -0.45 115.64 120.62 2d49 s THR 27 Ca -0.01 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 2d49 s THR 27 Cb -0.13 -2.04 0.17 0.00 0.01 0.00 0.00 72.50 70.50 2d49 s THR 27 CO 0.02 0.51 1.11 0.00 -0.69 0.00 0.00 174.62 175.58 2d49 s ALA 28 N 1.22 1.27 -0.03 7.40 0.00 -1.05 -2.44 121.76 128.13 2d49 s ALA 28 Ca 0.03 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.58 2d49 s ALA 28 Cb -0.14 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 2d49 s ALA 28 CO -0.08 -2.64 0.08 1.17 0.00 0.00 0.00 175.76 174.29 2d49 n LYS 29 N -4.02 1.51 -2.74 0.00 3.00 -1.14 -3.78 118.16 110.99 2d49 n LYS 29 Ca 0.06 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.31 58.30 2d49 n LYS 29 Cb 0.58 -1.13 0.02 0.00 0.00 0.00 0.00 35.03 34.50 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 -1.50 -1.63 5.64 2.14 -1.26 -4.45 117.44 114.46 2d49 n TRP 30 Ca -0.04 -0.96 -0.49 0.00 2.07 0.00 0.00 57.50 58.07 2d49 n TRP 30 Cb 0.38 0.48 -0.05 0.00 -0.81 0.00 0.00 31.31 31.31 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 -0.36 1.87 -3.75 -2.67 -0.00 -1.26 -3.89 117.44 107.38 2d49 n TRP 31 Ca -0.04 0.46 -0.13 0.00 -0.00 0.00 0.00 57.50 57.80 2d49 n TRP 31 Cb 0.35 -2.43 -0.10 0.00 -0.00 0.00 0.00 31.31 29.12 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 0.78 -0.00 0.57 5.87 -1.32 0.45 -4.98 115.64 117.02 2d49 s THR 32 Ca 0.82 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.27 2d49 s THR 32 Cb -0.83 -0.52 0.12 0.00 -1.51 0.00 0.00 72.50 69.76 2d49 s THR 32 CO 0.43 0.00 0.78 1.67 -2.21 0.00 0.00 174.62 175.29 2d49 n GLN 33 N 2.91 -0.17 -1.51 7.08 0.00 -1.26 -1.64 117.38 122.78 2d49 n GLN 33 Ca -0.13 -1.84 -0.41 0.00 -0.00 0.00 0.00 57.00 54.62 2d49 n GLN 33 Cb 0.57 -0.61 -0.08 0.00 0.00 0.00 0.00 30.24 30.13 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2d49 n ASN 34 N -3.11 1.66 -3.90 1.69 0.23 -1.26 -4.83 115.26 105.74 2d49 n ASN 34 Ca 0.12 -0.06 -0.11 0.00 -0.53 0.00 0.00 54.58 54.00 2d49 n ASN 34 Cb 0.42 -1.30 -0.12 0.00 -2.08 0.00 0.00 39.78 36.70 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2d49 s GLU 35 N 7.97 0.21 -0.18 -3.83 2.02 -1.26 -5.06 118.70 118.58 2d49 s GLU 35 Ca 1.13 -0.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.60 2d49 s GLU 35 Cb -0.68 0.08 -0.05 0.00 0.10 0.00 0.00 34.13 33.58 2d49 s GLU 35 CO 0.39 -0.04 2.04 1.03 0.02 0.00 0.00 175.26 178.70 2d49 s ARG 36 N -0.69 3.45 0.41 1.61 3.00 -1.26 -4.95 118.95 120.52 2d49 s ARG 36 Ca -0.08 2.04 -0.25 0.00 0.00 0.00 0.00 55.73 57.44 2d49 s ARG 36 Cb -0.05 -4.27 -0.08 0.00 0.00 0.00 0.00 34.95 30.55 2d49 s ARG 36 CO -0.00 -1.73 1.18 -1.25 0.00 0.00 0.00 175.30 173.51 2d49 s PRO 37 N 5.65 4.00 0.00 3.54 0.04 -1.26 -3.19 135.00 143.78 2d49 s PRO 37 Ca 0.92 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2d49 s PRO 37 Cb -0.33 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2d49 s PRO 37 CO 0.36 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.43 2d49 n GLY 38 N 0.61 3.12 0.05 0.56 0.00 -1.26 -4.76 105.19 103.52 2d49 n GLY 38 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2d49 n GLY 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2d49 n THR 39 N -1.17 0.66 -3.81 2.61 -1.04 -1.19 -4.96 114.28 105.37 2d49 n THR 39 Ca 0.00 -0.63 -0.34 0.00 -2.04 0.00 0.00 64.05 61.04 2d49 n THR 39 Cb 0.00 -0.24 -0.05 0.00 -1.82 0.00 0.00 70.33 68.22 2d49 n THR 39 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2d49 s SER 40 N -4.81 6.44 0.62 8.00 0.01 -1.20 -4.98 113.70 117.78 2d49 s SER 40 Ca -0.08 0.47 0.39 0.00 1.31 0.00 0.00 55.95 58.03 2d49 s SER 40 Cb 0.09 -2.05 2.00 0.00 0.21 0.00 0.00 66.02 66.27 2d49 s SER 40 CO 0.80 0.23 2.23 0.44 0.41 0.00 0.00 173.24 177.35 2d49 h ASP 41 N 3.77 0.00 -0.49 2.44 5.19 -1.94 -2.19 116.42 123.20 2d49 h ASP 41 Ca -0.49 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.87 2d49 h ASP 41 Cb 1.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 2d49 h ASP 41 CO 0.68 0.02 0.12 1.62 -3.12 0.00 0.00 179.24 178.56 2d49 h VAL 42 N 0.00 1.23 -3.48 -1.35 3.04 -1.96 -3.41 116.25 110.32 2d49 h VAL 42 Ca -0.00 -0.85 -0.62 0.00 -1.01 0.00 0.00 66.70 64.21 2d49 h VAL 42 Cb 0.17 0.69 -0.16 0.00 -2.01 0.00 0.00 31.29 29.97 2d49 h VAL 42 CO 0.00 0.32 -0.55 0.26 -1.01 0.00 0.00 177.57 176.59 2d49 s TRP 43 N -5.19 3.25 -0.04 3.17 0.52 -0.82 -2.87 118.94 116.95 2d49 s TRP 43 Ca -0.10 0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.11 2d49 s TRP 43 Cb 0.15 -2.19 0.01 0.00 -1.15 0.00 0.00 33.47 30.29 2d49 s TRP 43 CO 0.81 0.03 -0.11 0.00 0.02 0.00 0.00 176.95 177.70 2d49 s ALA 44 N 0.88 1.05 -0.02 0.98 0.00 -1.02 -4.20 121.76 119.44 2d49 s ALA 44 Ca 0.05 -0.37 -0.32 0.00 0.00 0.00 0.00 51.96 51.32 2d49 s ALA 44 Cb -0.13 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.45 2d49 s ALA 44 CO 0.03 0.14 1.93 -0.40 0.00 0.00 0.00 175.76 177.46 2d49 n ASP 45 N 3.51 3.86 -0.83 0.00 5.75 -1.26 -0.35 116.55 127.22 2d49 n ASP 45 Ca -0.20 0.93 0.09 0.00 -0.01 0.00 0.00 54.79 55.60 2d49 n ASP 45 Cb 0.53 -1.46 0.25 0.00 -1.03 0.00 0.00 41.12 39.41 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 7.12 2.82 -1.32 0.11 4.81 0.87 -4.87 118.16 127.70 2d49 n LYS 46 Ca 0.21 -2.80 0.00 0.00 -0.87 0.00 0.00 58.31 54.85 2d49 n LYS 46 Cb 0.36 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.60 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 -0.54 0.45 3.51 3.14 0.00 -1.23 -4.96 105.19 105.56 2d49 n GLY 47 Ca 0.21 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 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 2.83 -0.16 4.61 0.00 -1.26 -1.92 121.76 124.86 2d49 s ALA 48 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 2d49 s ALA 48 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2d49 s ALA 48 CO 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 175.76 176.07 2d49 s GLY 50 N 0.32 1.47 0.14 0.00 0.00 -1.05 -4.69 107.32 103.51 2d49 s GLY 50 Ca -0.01 -2.46 0.04 0.00 0.00 0.00 0.00 44.72 42.28 2d49 s GLY 50 CO 0.02 2.53 -0.10 -1.08 0.00 0.00 0.00 173.10 174.48 2d49 s THR 51 N 4.33 1.08 -0.26 0.90 -1.32 -1.26 -4.27 115.64 114.85 2d49 s THR 51 Ca 0.44 -2.03 -0.12 0.00 -1.21 0.00 0.00 61.69 58.77 2d49 s THR 51 Cb -0.01 -1.81 0.10 0.00 -1.51 0.00 0.00 72.50 69.27 2d49 s THR 51 CO -0.08 -0.76 0.60 -0.83 -2.21 0.00 0.00 174.62 171.34 2d49 s GLY 52 N -3.13 -0.59 0.00 6.08 0.00 -1.26 -5.14 107.32 103.29 2d49 s GLY 52 Ca 0.16 2.14 0.23 0.00 0.00 0.00 0.00 44.72 47.25 2d49 s GLY 52 CO -0.00 2.53 1.23 -1.26 0.00 0.00 0.00 173.10 175.59