#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 5.34 -0.30 0.00 -1.32 -1.26 -4.96 115.64 113.14 2d49 s THR 2 Ca 0.00 -0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.31 2d49 s THR 2 Cb 0.00 -3.39 0.20 0.00 -1.51 0.00 0.00 72.50 67.80 2d49 s THR 2 CO 0.00 0.49 1.23 0.00 -2.21 0.00 0.00 174.62 174.13 2d49 s ALA 4 N 1.21 2.79 0.22 0.00 0.00 -1.26 -4.97 121.76 119.75 2d49 s ALA 4 Ca -0.07 0.36 -0.32 0.00 0.00 0.00 0.00 51.96 51.93 2d49 s ALA 4 Cb -0.02 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 2d49 s ALA 4 CO -0.11 -0.73 1.69 -2.37 0.00 0.00 0.00 175.76 174.24 2d49 n THR 5 N -1.96 0.18 -1.54 0.00 5.66 -1.26 -2.88 114.28 112.48 2d49 n THR 5 Ca 0.08 -0.04 -0.41 0.00 -3.05 0.00 0.00 64.05 60.63 2d49 n THR 5 Cb 0.53 -1.95 0.01 0.00 -1.55 0.00 0.00 70.33 67.37 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 3.62 -0.61 -1.53 1.79 0.00 -1.26 -1.92 120.51 120.59 2d49 n ALA 6 Ca 0.15 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.38 2d49 n ALA 6 Cb 0.35 -1.94 0.03 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.74 0.19 -3.69 0.00 -0.00 -0.91 -4.67 117.44 107.63 2d49 n TRP 7 Ca 0.11 0.51 -0.25 0.00 -0.00 0.00 0.00 57.50 57.87 2d49 n TRP 7 Cb 0.40 -2.08 -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 -1.00 2.22 0.40 5.87 0.01 -1.26 -4.99 113.70 114.94 2d49 s SER 8 Ca 0.67 -0.49 0.28 0.00 1.31 0.00 0.00 55.95 57.72 2d49 s SER 8 Cb -0.51 -0.37 1.39 0.00 0.21 0.00 0.00 66.02 66.73 2d49 s SER 8 CO 0.55 -0.29 1.85 0.28 0.41 0.00 0.00 173.24 176.03 2d49 h SER 9 N 8.35 0.00 -0.70 2.44 0.02 -1.94 -1.58 113.55 120.14 2d49 h SER 9 Ca -0.16 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.50 2d49 h SER 9 Cb 1.13 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.50 2d49 h SER 9 CO 0.28 0.00 0.37 -0.24 -1.14 0.00 0.00 176.83 176.10 2d49 n SER 10 N -2.50 3.97 -3.65 3.07 2.88 -1.26 -4.51 113.62 111.61 2d49 n SER 10 Ca -0.01 -3.13 -0.05 0.00 -1.33 0.00 0.00 58.87 54.36 2d49 n SER 10 Cb 0.12 -0.74 -0.06 0.00 -0.75 0.00 0.00 64.21 62.78 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 -0.77 -0.88 0.06 -3.46 0.01 -0.59 -5.15 113.70 102.91 2d49 s SER 11 Ca 0.45 1.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.82 2d49 s SER 11 Cb 0.37 1.80 -0.05 0.00 0.21 0.00 0.00 66.02 68.35 2d49 s SER 11 CO 0.10 -0.22 0.95 0.54 0.41 0.00 0.00 173.24 175.01 2d49 s VAL 12 N 2.44 4.68 0.39 3.43 0.11 -1.26 -4.72 120.40 125.47 2d49 s VAL 12 Ca -0.06 2.01 0.08 0.00 -2.93 0.00 0.00 61.98 61.08 2d49 s VAL 12 Cb -0.10 -4.30 -0.02 0.00 -1.53 0.00 0.00 36.38 30.43 2d49 s VAL 12 CO -0.18 0.26 0.37 -0.31 -3.33 0.00 0.00 175.10 171.91 2d49 s TYR 13 N 0.42 2.80 0.08 1.54 2.02 -0.78 -4.97 117.35 118.46 2d49 s TYR 13 Ca 0.48 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.77 2d49 s TYR 13 Cb -0.22 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2d49 s TYR 13 CO 0.28 -0.03 0.11 0.25 -1.57 0.00 0.00 175.55 174.59 2d49 n THR 14 N -1.51 0.00 -1.69 -0.71 -2.24 -1.26 -0.36 114.28 106.51 2d49 n THR 14 Ca 0.02 -0.45 -0.52 0.00 -2.27 0.00 0.00 64.05 60.82 2d49 n THR 14 Cb 0.61 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 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 -2.12 2.93 0.00 3.42 5.15 -1.23 -0.38 115.26 123.03 2d49 n ASN 15 Ca 0.00 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.01 2d49 n ASN 15 Cb 0.14 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.12 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 4.19 3.05 3.47 8.20 0.00 -1.23 -4.91 105.19 117.96 2d49 n GLY 16 Ca 0.24 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.32 0.49 3.90 -0.02 0.00 0.49 -4.76 105.19 104.96 2d49 n GLY 17 Ca 0.00 0.90 -0.34 0.00 0.00 0.00 0.00 46.02 46.58 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 7.93 5.39 0.24 2.61 2.01 -1.26 -2.20 115.64 130.36 2d49 s THR 18 Ca 1.09 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 63.03 2d49 s THR 18 Cb -0.75 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2d49 s THR 18 CO 0.45 0.34 0.33 1.33 -0.69 0.00 0.00 174.62 176.38 2d49 n VAL 19 N 1.00 0.00 -4.26 3.82 0.24 0.44 -4.22 118.33 115.35 2d49 n VAL 19 Ca -0.11 -1.23 -0.21 0.00 -2.04 0.00 0.00 64.34 60.75 2d49 n VAL 19 Cb 0.53 0.75 -0.12 0.00 -1.47 0.00 0.00 33.84 33.53 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 -2.49 2.24 -0.30 -1.34 0.15 -0.81 -0.36 113.70 110.80 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 -0.11 0.18 0.00 -1.71 0.00 0.00 66.02 64.38 2d49 s SER 20 CO 0.14 -0.03 1.36 -0.47 1.20 0.00 0.00 173.24 175.45 2d49 s TYR 21 N -1.52 -0.12 -1.94 3.44 5.04 0.49 -2.14 117.35 120.60 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 0.09 -1.34 0.00 0.00 175.55 174.28 2d49 n ASN 22 N 1.86 -5.30 0.00 4.32 4.13 -1.26 -0.91 115.26 118.09 2d49 n ASN 22 Ca -0.11 0.39 0.00 0.00 1.68 0.00 0.00 54.58 56.53 2d49 n ASN 22 Cb 0.57 -4.45 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d49 n GLY 23 N -0.71 1.08 1.51 7.41 0.00 -1.26 -5.02 105.19 108.20 2d49 n GLY 23 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 1.33 -4.95 1.61 3.00 -0.09 -0.63 116.66 114.92 2d49 n ARG 24 Ca 0.00 -1.45 -0.32 0.00 -0.01 0.00 0.00 57.85 56.07 2d49 n ARG 24 Cb 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 32.46 32.57 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 -2.22 3.07 -0.15 0.55 0.01 -0.80 -0.38 114.94 115.02 2d49 s ASN 25 Ca 0.06 -0.57 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 2d49 s ASN 25 Cb -0.00 -1.41 -0.03 0.00 0.41 0.00 0.00 41.25 40.21 2d49 s ASN 25 CO 0.04 0.12 0.00 -0.31 -1.51 0.00 0.00 177.10 175.44 2d49 s TYR 26 N 0.57 3.12 -0.18 2.20 2.02 0.51 -0.07 117.35 125.52 2d49 s TYR 26 Ca -0.13 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 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 0.04 0.14 -0.18 0.99 -1.57 0.00 0.00 175.55 174.97 2d49 s THR 27 N 0.06 2.25 0.98 -0.71 2.01 0.52 -0.42 115.64 120.33 2d49 s THR 27 Ca 0.02 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 2d49 s THR 27 Cb -0.13 -1.95 0.18 0.00 0.01 0.00 0.00 72.50 70.60 2d49 s THR 27 CO 0.02 0.53 1.11 0.00 -0.69 0.00 0.00 174.62 175.58 2d49 s ALA 28 N 1.24 1.20 -0.02 7.40 0.00 -0.93 -2.44 121.76 128.21 2d49 s ALA 28 Ca 0.03 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.59 2d49 s ALA 28 Cb -0.14 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2d49 s ALA 28 CO -0.10 -2.68 0.07 1.63 0.00 0.00 0.00 175.76 174.68 2d49 n LYS 29 N -4.06 1.32 -2.73 0.00 4.01 -1.13 -3.55 118.16 112.01 2d49 n LYS 29 Ca 0.06 -0.03 -0.04 0.00 -0.51 0.00 0.00 58.31 57.79 2d49 n LYS 29 Cb 0.58 -1.12 0.01 0.00 -0.51 0.00 0.00 35.03 34.00 2d49 n LYS 29 CO 0.00 0.00 0.00 -2.67 -1.11 0.00 0.00 177.40 173.62 2d49 n TRP 30 N -1.86 -1.43 -1.62 2.13 2.14 -1.26 -4.18 117.44 111.36 2d49 n TRP 30 Ca -0.03 -0.92 -0.49 0.00 2.07 0.00 0.00 57.50 58.12 2d49 n TRP 30 Cb 0.32 0.45 -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 -0.37 1.82 -3.72 -2.67 -0.00 -1.26 -3.54 117.44 107.70 2d49 n TRP 31 Ca -0.03 0.49 -0.12 0.00 -0.00 0.00 0.00 57.50 57.84 2d49 n TRP 31 Cb 0.34 -2.42 -0.10 0.00 -0.00 0.00 0.00 31.31 29.13 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 0.62 -0.01 0.54 5.87 -1.32 0.51 -4.94 115.64 116.91 2d49 s THR 32 Ca 0.82 0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 61.29 2d49 s THR 32 Cb -0.84 -0.58 0.11 0.00 -1.51 0.00 0.00 72.50 69.68 2d49 s THR 32 CO 0.43 0.01 0.73 0.00 -2.21 0.00 0.00 174.62 173.59 2d49 n GLN 33 N 3.31 -0.14 -1.49 7.08 1.13 -1.26 -1.87 117.38 124.14 2d49 n GLN 33 Ca -0.16 -1.71 -0.43 0.00 -1.94 0.00 0.00 57.00 52.75 2d49 n GLN 33 Cb 0.56 -0.57 -0.09 0.00 0.11 0.00 0.00 30.24 30.25 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 -3.11 1.54 -3.86 1.08 0.23 -1.26 -4.85 115.26 105.04 2d49 n ASN 34 Ca 0.11 0.06 -0.12 0.00 -0.53 0.00 0.00 54.58 54.11 2d49 n ASN 34 Cb 0.39 -1.24 -0.12 0.00 -2.08 0.00 0.00 39.78 36.74 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 7.74 0.25 -0.18 -3.83 0.41 -1.26 -5.07 118.70 116.76 2d49 s GLU 35 Ca 1.15 -0.07 -0.29 0.00 -0.41 0.00 0.00 54.97 55.35 2d49 s GLU 35 Cb -0.80 0.11 -0.05 0.00 -1.78 0.00 0.00 34.13 31.61 2d49 s GLU 35 CO 0.43 -0.05 2.04 1.03 -0.49 0.00 0.00 175.26 178.22 2d49 s ARG 36 N -0.49 3.45 0.43 1.61 3.00 -1.26 -4.95 118.95 120.74 2d49 s ARG 36 Ca -0.06 2.04 -0.24 0.00 0.00 0.00 0.00 55.73 57.47 2d49 s ARG 36 Cb -0.04 -4.27 -0.08 0.00 0.00 0.00 0.00 34.95 30.57 2d49 s ARG 36 CO 0.00 -1.74 1.18 -1.25 0.00 0.00 0.00 175.30 173.50 2d49 s PRO 37 N 5.66 3.92 0.00 3.54 0.04 -1.26 -3.21 135.00 143.69 2d49 s PRO 37 Ca 0.92 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2d49 s PRO 37 Cb -0.33 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2d49 s PRO 37 CO 0.36 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.37 2d49 n GLY 38 N 0.56 3.15 0.05 0.56 0.00 -1.26 -4.76 105.19 103.49 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 -1.32 0.68 -3.89 2.61 -1.04 -1.20 -4.96 114.28 105.17 2d49 n THR 39 Ca 0.00 -0.64 -0.34 0.00 -2.04 0.00 0.00 64.05 61.04 2d49 n THR 39 Cb 0.00 -0.25 -0.05 0.00 -1.82 0.00 0.00 70.33 68.21 2d49 n THR 39 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2d49 s SER 40 N -4.83 6.39 0.62 8.00 1.04 -1.21 -4.98 113.70 118.72 2d49 s SER 40 Ca -0.08 0.38 0.39 0.00 0.48 0.00 0.00 55.95 57.12 2d49 s SER 40 Cb 0.09 -2.02 2.03 0.00 0.10 0.00 0.00 66.02 66.23 2d49 s SER 40 CO 0.79 0.27 2.24 0.44 0.98 0.00 0.00 173.24 177.97 2d49 h ASP 41 N 3.93 0.00 -0.64 7.02 3.32 -1.94 -2.24 116.42 125.86 2d49 h ASP 41 Ca -0.49 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 2d49 h ASP 41 Cb 1.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 2d49 h ASP 41 CO 0.68 0.01 0.30 1.62 -1.72 0.00 0.00 179.24 180.14 2d49 h VAL 42 N 0.00 1.22 -3.50 -1.35 3.04 -1.96 -3.41 116.25 110.29 2d49 h VAL 42 Ca -0.00 -0.64 -0.63 0.00 -1.01 0.00 0.00 66.70 64.43 2d49 h VAL 42 Cb 0.16 0.38 -0.17 0.00 -2.01 0.00 0.00 31.29 29.66 2d49 h VAL 42 CO 0.00 0.26 -0.55 0.26 -1.01 0.00 0.00 177.57 176.53 2d49 s TRP 43 N -5.51 3.24 -0.05 3.17 0.52 -0.84 -2.86 118.94 116.61 2d49 s TRP 43 Ca -0.11 0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.07 2d49 s TRP 43 Cb 0.16 -2.19 0.01 0.00 -1.15 0.00 0.00 33.47 30.30 2d49 s TRP 43 CO 0.80 0.00 -0.10 0.00 0.02 0.00 0.00 176.95 177.67 2d49 s ALA 44 N 0.94 1.05 -0.01 0.98 0.00 -1.02 -4.25 121.76 119.45 2d49 s ALA 44 Ca 0.05 -0.35 -0.32 0.00 0.00 0.00 0.00 51.96 51.34 2d49 s ALA 44 Cb -0.14 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.43 2d49 s ALA 44 CO 0.03 0.12 1.91 -0.40 0.00 0.00 0.00 175.76 177.43 2d49 n ASP 45 N 3.59 3.82 -0.83 0.00 5.75 -1.26 -0.35 116.55 127.27 2d49 n ASP 45 Ca -0.21 0.94 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 6.87 2.81 -1.33 0.11 3.00 0.89 -4.86 118.16 125.65 2d49 n LYS 46 Ca 0.21 -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 -0.55 0.45 3.51 3.14 0.00 -1.23 -4.96 105.19 105.55 2d49 n GLY 47 Ca 0.21 -1.64 -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 -1.90 121.76 124.87 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 0.00 175.76 176.07 2d49 s GLY 50 N 0.31 1.70 0.09 0.00 0.00 -1.03 -4.71 107.32 103.68 2d49 s GLY 50 Ca -0.01 -0.78 0.08 0.00 0.00 0.00 0.00 44.72 44.01 2d49 s GLY 50 CO 0.02 1.63 -0.20 -0.51 0.00 0.00 0.00 173.10 174.04 2d49 s THR 51 N 2.92 1.64 -0.13 0.90 -4.23 -1.26 -4.78 115.64 110.70 2d49 s THR 51 Ca 0.28 -1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 2d49 s THR 51 Cb -0.14 -1.49 0.12 0.00 1.34 0.00 0.00 72.50 72.34 2d49 s THR 51 CO 0.16 -0.04 0.98 -0.83 -0.54 0.00 0.00 174.62 174.35 2d49 s GLY 52 N -1.79 -0.31 0.00 3.99 0.00 -1.26 -5.22 107.32 102.72 2d49 s GLY 52 Ca 0.06 1.79 0.29 0.00 0.00 0.00 0.00 44.72 46.86 2d49 s GLY 52 CO 0.04 0.86 1.90 -1.26 0.00 0.00 0.00 173.10 174.63