#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 3.32 -0.29 0.00 2.01 -1.26 -5.02 115.64 114.40 2d49 s THR 2 Ca 0.00 -0.58 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 2d49 s THR 2 Cb 0.00 -2.40 0.18 0.00 0.01 0.00 0.00 72.50 70.29 2d49 s THR 2 CO 0.00 0.53 1.35 0.00 -0.69 0.00 0.00 174.62 175.81 2d49 s ALA 4 N -0.16 3.58 0.21 0.00 0.00 -1.26 -5.03 121.76 119.11 2d49 s ALA 4 Ca 0.07 -0.51 -0.32 0.00 0.00 0.00 0.00 51.96 51.19 2d49 s ALA 4 Cb -0.04 -2.35 -0.12 0.00 0.00 0.00 0.00 23.12 20.60 2d49 s ALA 4 CO -0.12 0.20 1.70 -2.37 0.00 0.00 0.00 175.76 175.17 2d49 n THR 5 N -1.00 0.07 -1.51 0.00 5.66 -1.26 -2.86 114.28 113.38 2d49 n THR 5 Ca -0.01 -0.02 -0.40 0.00 -3.05 0.00 0.00 64.05 60.57 2d49 n THR 5 Cb 0.54 -1.93 0.02 0.00 -1.55 0.00 0.00 70.33 67.41 2d49 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2d49 n ALA 6 N 3.78 -0.86 -1.55 1.79 0.00 -1.26 -1.93 120.51 120.48 2d49 n ALA 6 Ca 0.16 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 2d49 n ALA 6 Cb 0.34 -1.89 0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.22 0.39 -3.68 0.00 -0.00 -0.94 -4.64 117.44 107.35 2d49 n TRP 7 Ca 0.11 0.54 -0.24 0.00 -0.00 0.00 0.00 57.50 57.91 2d49 n TRP 7 Cb 0.43 -2.11 -0.17 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 -0.93 2.05 0.34 5.87 0.01 -1.26 -4.99 113.70 114.78 2d49 s SER 8 Ca 0.66 -0.40 0.25 0.00 1.31 0.00 0.00 55.95 57.77 2d49 s SER 8 Cb -0.54 -0.33 1.20 0.00 0.21 0.00 0.00 66.02 66.57 2d49 s SER 8 CO 0.55 -0.29 1.76 0.28 0.41 0.00 0.00 173.24 175.95 2d49 h SER 9 N 8.37 0.00 -0.67 2.44 0.02 -1.95 -1.76 113.55 120.01 2d49 h SER 9 Ca -0.15 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.54 2d49 h SER 9 Cb 1.13 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.52 2d49 h SER 9 CO 0.26 0.00 0.32 -0.24 -1.14 0.00 0.00 176.83 176.04 2d49 n SER 10 N -2.37 4.05 -3.63 3.07 2.88 -1.26 -4.52 113.62 111.83 2d49 n SER 10 Ca -0.00 -3.07 -0.02 0.00 -1.33 0.00 0.00 58.87 54.45 2d49 n SER 10 Cb 0.13 -0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 62.82 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 -0.74 -1.02 0.08 -3.46 0.01 -0.66 -5.15 113.70 102.76 2d49 s SER 11 Ca 0.45 1.46 -0.30 0.00 1.31 0.00 0.00 55.95 58.87 2d49 s SER 11 Cb 0.36 2.16 -0.05 0.00 0.21 0.00 0.00 66.02 68.70 2d49 s SER 11 CO 0.10 -0.22 1.03 0.54 0.41 0.00 0.00 173.24 175.09 2d49 s VAL 12 N 2.85 4.43 0.40 3.43 0.11 -1.26 -4.72 120.40 125.65 2d49 s VAL 12 Ca -0.04 1.90 0.08 0.00 -2.93 0.00 0.00 61.98 60.98 2d49 s VAL 12 Cb -0.12 -4.22 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 2d49 s VAL 12 CO -0.18 0.24 0.40 -0.31 -3.33 0.00 0.00 175.10 171.91 2d49 s TYR 13 N 0.40 2.76 0.10 1.54 2.02 -0.79 -4.97 117.35 118.42 2d49 s TYR 13 Ca 0.51 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.76 2d49 s TYR 13 Cb -0.25 -2.15 0.00 0.00 -0.40 0.00 0.00 41.96 39.17 2d49 s TYR 13 CO 0.30 -0.12 0.13 0.25 -1.57 0.00 0.00 175.55 174.54 2d49 n THR 14 N -1.58 0.00 -1.60 -0.71 -2.24 -1.26 -0.36 114.28 106.53 2d49 n THR 14 Ca 0.03 -0.53 -0.48 0.00 -2.27 0.00 0.00 64.05 60.80 2d49 n THR 14 Cb 0.61 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 2d49 n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2d49 n ASN 15 N -2.08 3.03 0.00 3.42 5.15 -1.23 -1.07 115.26 122.48 2d49 n ASN 15 Ca 0.00 0.67 0.00 0.00 -0.60 0.00 0.00 54.58 54.65 2d49 n ASN 15 Cb 0.17 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 2d49 n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d49 n GLY 16 N 5.27 2.68 3.53 8.20 0.00 -1.24 -4.91 105.19 118.71 2d49 n GLY 16 Ca 0.29 -0.71 -0.49 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 0.77 3.85 -0.02 0.00 -0.23 -4.75 105.19 104.81 2d49 n GLY 17 Ca 0.00 0.89 -0.32 0.00 0.00 0.00 0.00 46.02 46.59 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 6.85 5.06 0.23 2.61 2.01 -1.26 -2.52 115.64 128.62 2d49 s THR 18 Ca 1.05 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 62.66 2d49 s THR 18 Cb -0.74 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 2d49 s THR 18 CO 0.47 0.23 0.24 1.33 -0.69 0.00 0.00 174.62 176.21 2d49 n VAL 19 N 0.70 0.00 -4.34 3.82 0.24 0.32 -4.22 118.33 114.84 2d49 n VAL 19 Ca -0.09 -1.47 -0.26 0.00 -2.04 0.00 0.00 64.34 60.48 2d49 n VAL 19 Cb 0.52 0.79 -0.13 0.00 -1.47 0.00 0.00 33.84 33.55 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 -2.52 2.91 -0.30 -1.34 0.15 -0.81 -0.38 113.70 111.42 2d49 s SER 20 Ca 0.24 -0.73 -0.23 0.00 0.70 0.00 0.00 55.95 55.93 2d49 s SER 20 Cb 0.01 -0.18 0.19 0.00 -1.71 0.00 0.00 66.02 64.32 2d49 s SER 20 CO 0.17 0.11 1.35 -0.47 1.20 0.00 0.00 173.24 175.60 2d49 s TYR 21 N -1.18 -0.12 -1.93 3.44 5.04 0.54 -2.22 117.35 120.91 2d49 s TYR 21 Ca 0.11 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 2d49 s TYR 21 Cb -0.10 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.60 2d49 s TYR 21 CO 0.05 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.49 2d49 n ASN 22 N 2.00 -5.28 0.00 4.32 2.85 -1.26 -0.94 115.26 116.95 2d49 n ASN 22 Ca -0.12 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2d49 n ASN 22 Cb 0.57 -4.41 0.00 0.00 1.24 0.00 0.00 39.78 37.17 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 -0.73 1.24 2.23 8.20 0.00 -1.26 -5.02 105.19 109.86 2d49 n GLY 23 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 1.13 -4.81 1.61 1.74 -0.12 -0.79 116.66 113.42 2d49 n ARG 24 Ca 0.00 -2.14 -0.33 0.00 -0.77 0.00 0.00 57.85 54.62 2d49 n ARG 24 Cb 0.00 0.40 -0.16 0.00 -1.02 0.00 0.00 32.46 31.68 2d49 n ARG 24 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2d49 s ASN 25 N -2.81 3.47 -0.17 0.55 0.01 -0.91 -0.34 114.94 114.74 2d49 s ASN 25 Ca 0.10 -0.49 -0.05 0.00 -0.71 0.00 0.00 52.86 51.70 2d49 s ASN 25 Cb -0.01 -1.51 -0.03 0.00 0.41 0.00 0.00 41.25 40.11 2d49 s ASN 25 CO 0.06 0.12 0.00 -0.31 -1.51 0.00 0.00 177.10 175.47 2d49 s TYR 26 N 0.58 3.11 -0.20 2.20 2.02 0.49 -0.08 117.35 125.47 2d49 s TYR 26 Ca -0.11 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.39 2d49 s TYR 26 Cb -0.16 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 2d49 s TYR 26 CO 0.04 0.02 -0.07 0.99 -1.57 0.00 0.00 175.55 174.95 2d49 s THR 27 N 0.43 3.21 1.01 -0.71 2.01 0.55 -0.52 115.64 121.62 2d49 s THR 27 Ca -0.01 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.31 2d49 s THR 27 Cb -0.14 -2.43 0.20 0.00 0.01 0.00 0.00 72.50 70.14 2d49 s THR 27 CO 0.02 0.45 1.09 0.00 -0.69 0.00 0.00 174.62 175.49 2d49 s ALA 28 N 1.29 0.89 -0.02 7.40 0.00 -1.05 -2.45 121.76 127.83 2d49 s ALA 28 Ca 0.03 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.64 2d49 s ALA 28 Cb -0.14 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 2d49 s ALA 28 CO -0.03 -2.90 0.08 1.17 0.00 0.00 0.00 175.76 174.08 2d49 n LYS 29 N -4.22 1.08 -2.80 0.00 3.00 -1.08 -3.73 118.16 110.40 2d49 n LYS 29 Ca 0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.31 58.31 2d49 n LYS 29 Cb 0.57 -1.12 0.01 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 -1.82 -1.12 -1.65 5.64 2.14 -1.26 -4.22 117.44 115.16 2d49 n TRP 30 Ca -0.03 -0.77 -0.51 0.00 2.07 0.00 0.00 57.50 58.26 2d49 n TRP 30 Cb 0.28 0.38 -0.06 0.00 -0.81 0.00 0.00 31.31 31.10 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 1.92 -3.75 -2.67 -0.00 -1.26 -3.56 117.44 107.72 2d49 n TRP 31 Ca -0.02 0.44 -0.12 0.00 -0.00 0.00 0.00 57.50 57.79 2d49 n TRP 31 Cb 0.34 -2.46 -0.12 0.00 -0.00 0.00 0.00 31.31 29.07 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 1.61 -0.02 0.52 5.87 -1.32 0.51 -4.94 115.64 117.88 2d49 s THR 32 Ca 0.86 0.06 -0.03 0.00 -1.21 0.00 0.00 61.69 61.38 2d49 s THR 32 Cb -0.87 -0.42 0.11 0.00 -1.51 0.00 0.00 72.50 69.81 2d49 s THR 32 CO 0.48 0.03 0.71 0.00 -2.21 0.00 0.00 174.62 173.63 2d49 n GLN 33 N 3.54 -0.12 -1.49 7.08 1.13 -1.26 -1.89 117.38 124.37 2d49 n GLN 33 Ca -0.18 -1.66 -0.43 0.00 -1.94 0.00 0.00 57.00 52.78 2d49 n GLN 33 Cb 0.56 -0.55 -0.09 0.00 0.11 0.00 0.00 30.24 30.27 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2d49 n ASN 34 N -3.10 1.51 -3.86 1.08 0.23 -1.26 -4.86 115.26 105.00 2d49 n ASN 34 Ca 0.11 0.06 -0.12 0.00 -0.53 0.00 0.00 54.58 54.10 2d49 n ASN 34 Cb 0.38 -1.23 -0.12 0.00 -2.08 0.00 0.00 39.78 36.73 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 7.79 0.22 -0.17 -3.83 2.02 -1.26 -5.07 118.70 118.39 2d49 s GLU 35 Ca 1.15 -0.06 -0.29 0.00 0.02 0.00 0.00 54.97 55.80 2d49 s GLU 35 Cb -0.81 0.10 -0.05 0.00 0.10 0.00 0.00 34.13 33.47 2d49 s GLU 35 CO 0.43 -0.04 2.04 0.50 0.02 0.00 0.00 175.26 178.21 2d49 s ARG 36 N -0.43 3.46 0.46 1.61 3.52 -1.26 -4.95 118.95 121.36 2d49 s ARG 36 Ca -0.05 2.04 -0.23 0.00 -0.13 0.00 0.00 55.73 57.37 2d49 s ARG 36 Cb -0.03 -4.27 -0.07 0.00 -1.56 0.00 0.00 34.95 29.02 2d49 s ARG 36 CO 0.00 -1.72 1.16 -1.25 -0.81 0.00 0.00 175.30 172.68 2d49 s PRO 37 N 5.65 3.76 0.00 5.12 0.04 -1.26 -3.23 135.00 145.07 2d49 s PRO 37 Ca 0.92 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2d49 s PRO 37 Cb -0.33 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2d49 s PRO 37 CO 0.36 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.25 2d49 n GLY 38 N 0.44 3.30 0.04 0.56 0.00 -1.26 -4.77 105.19 103.49 2d49 n GLY 38 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.50 -4.00 2.61 -1.04 -1.20 -4.97 114.28 104.18 2d49 n THR 39 Ca 0.00 -0.52 -0.34 0.00 -2.04 0.00 0.00 64.05 61.16 2d49 n THR 39 Cb 0.00 -0.21 -0.06 0.00 -1.82 0.00 0.00 70.33 68.24 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 -4.40 6.03 0.62 8.00 0.01 -1.23 -4.98 113.70 117.75 2d49 s SER 40 Ca -0.07 0.27 0.40 0.00 1.31 0.00 0.00 55.95 57.86 2d49 s SER 40 Cb 0.08 -1.83 2.06 0.00 0.21 0.00 0.00 66.02 66.54 2d49 s SER 40 CO 0.68 0.29 2.24 0.44 0.41 0.00 0.00 173.24 177.30 2d49 h ASP 41 N 4.11 0.00 -0.79 2.44 3.32 -1.95 -2.35 116.42 121.20 2d49 h ASP 41 Ca -0.50 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.56 2d49 h ASP 41 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 2d49 h ASP 41 CO 0.64 0.01 0.53 1.62 -1.72 0.00 0.00 179.24 180.32 2d49 h VAL 42 N 0.00 1.19 -3.55 -1.35 3.04 -1.96 -3.40 116.25 110.22 2d49 h VAL 42 Ca -0.00 -0.36 -0.63 0.00 -1.01 0.00 0.00 66.70 64.70 2d49 h VAL 42 Cb 0.17 0.04 -0.18 0.00 -2.01 0.00 0.00 31.29 29.31 2d49 h VAL 42 CO 0.00 0.19 -0.56 0.26 -1.01 0.00 0.00 177.57 176.45 2d49 s TRP 43 N -5.89 3.21 -0.06 3.17 0.52 -0.89 -2.63 118.94 116.38 2d49 s TRP 43 Ca -0.11 -0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.00 2d49 s TRP 43 Cb 0.18 -2.21 0.01 0.00 -1.15 0.00 0.00 33.47 30.30 2d49 s TRP 43 CO 0.79 -0.06 -0.10 0.00 0.02 0.00 0.00 176.95 177.60 2d49 s ALA 44 N 1.09 1.07 0.02 0.98 0.00 -1.03 -4.38 121.76 119.52 2d49 s ALA 44 Ca 0.05 -0.31 -0.32 0.00 0.00 0.00 0.00 51.96 51.38 2d49 s ALA 44 Cb -0.14 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 22.37 2d49 s ALA 44 CO 0.04 0.09 1.88 -0.40 0.00 0.00 0.00 175.76 177.37 2d49 n ASP 45 N 3.81 3.81 -0.83 0.00 5.75 -1.26 -0.33 116.55 127.50 2d49 n ASP 45 Ca -0.23 0.96 0.09 0.00 -0.01 0.00 0.00 54.79 55.59 2d49 n ASP 45 Cb 0.52 -1.47 0.25 0.00 -1.03 0.00 0.00 41.12 39.39 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 6.46 2.82 -1.27 0.11 3.00 0.88 -4.86 118.16 125.30 2d49 n LYS 46 Ca 0.20 -2.81 0.00 0.00 -0.00 0.00 0.00 58.31 55.71 2d49 n LYS 46 Cb 0.35 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.57 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d49 n GLY 47 N -0.54 0.50 3.51 3.14 0.00 -1.23 -4.96 105.19 105.60 2d49 n GLY 47 Ca 0.21 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.13 121.76 124.63 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 22.66 2d49 s ALA 48 CO 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 175.76 176.08 2d49 s GLY 50 N 0.31 1.89 0.43 0.00 0.00 -1.01 -4.73 107.32 104.21 2d49 s GLY 50 Ca -0.01 -0.90 0.04 0.00 0.00 0.00 0.00 44.72 43.85 2d49 s GLY 50 CO 0.02 0.89 0.61 -0.51 0.00 0.00 0.00 173.10 174.11 2d49 s THR 51 N 1.99 3.57 -0.05 0.90 -4.23 -1.26 -4.65 115.64 111.91 2d49 s THR 51 Ca 0.13 -0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 59.56 2d49 s THR 51 Cb -0.16 -3.27 0.10 0.00 1.34 0.00 0.00 72.50 70.51 2d49 s THR 51 CO 0.10 -0.14 0.83 -0.83 -0.54 0.00 0.00 174.62 174.04 2d49 s GLY 52 N -4.27 -0.45 0.00 3.99 0.00 -1.26 -5.05 107.32 100.28 2d49 s GLY 52 Ca 0.50 1.37 0.24 0.00 0.00 0.00 0.00 44.72 46.83 2d49 s GLY 52 CO 0.35 0.71 1.28 1.44 0.00 0.00 0.00 173.10 176.88