#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 3.73 -0.30 0.00 2.01 -1.26 -5.03 115.64 114.80 2d49 s THR 2 Ca 0.00 -1.14 -0.19 0.00 0.31 0.00 0.00 61.69 60.67 2d49 s THR 2 Cb 0.00 -3.11 0.19 0.00 0.01 0.00 0.00 72.50 69.59 2d49 s THR 2 CO 0.00 -0.17 1.25 0.00 -0.69 0.00 0.00 174.62 175.01 2d49 s ALA 4 N 2.07 2.13 0.20 0.00 0.00 -1.26 -4.91 121.76 119.98 2d49 s ALA 4 Ca -0.00 0.83 -0.32 0.00 0.00 0.00 0.00 51.96 52.47 2d49 s ALA 4 Cb -0.02 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 2d49 s ALA 4 CO -0.16 -1.86 1.73 2.41 0.00 0.00 0.00 175.76 177.88 2d49 n THR 5 N -2.76 0.04 -1.54 0.00 -1.04 -1.26 -3.00 114.28 104.71 2d49 n THR 5 Ca 0.13 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.71 2d49 n THR 5 Cb 0.50 -1.96 0.01 0.00 -1.82 0.00 0.00 70.33 67.06 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 4.10 -0.61 -1.56 2.41 0.00 -1.26 -1.90 120.51 121.70 2d49 n ALA 6 Ca 0.16 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 2d49 n ALA 6 Cb 0.35 -1.94 0.01 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.52 0.55 -3.71 0.00 -0.00 -0.84 -4.68 117.44 108.24 2d49 n TRP 7 Ca 0.11 0.56 -0.24 0.00 -0.00 0.00 0.00 57.50 57.92 2d49 n TRP 7 Cb 0.38 -2.13 -0.17 0.00 -0.00 0.00 0.00 31.31 29.38 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 -0.87 2.02 0.35 5.87 0.15 -1.26 -4.99 113.70 114.97 2d49 s SER 8 Ca 0.65 -0.36 0.26 0.00 0.70 0.00 0.00 55.95 57.19 2d49 s SER 8 Cb -0.56 -0.39 1.25 0.00 -1.71 0.00 0.00 66.02 64.61 2d49 s SER 8 CO 0.56 -0.27 1.78 0.28 1.20 0.00 0.00 173.24 176.79 2d49 h SER 9 N 8.34 0.00 -0.70 5.45 0.02 -1.96 -1.77 113.55 122.94 2d49 h SER 9 Ca -0.16 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.49 2d49 h SER 9 Cb 1.13 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.49 2d49 h SER 9 CO 0.27 0.00 0.37 -1.54 -1.14 0.00 0.00 176.83 174.79 2d49 n SER 10 N -2.41 3.96 -3.66 3.07 3.41 -1.26 -4.51 113.62 112.23 2d49 n SER 10 Ca -0.00 -3.13 -0.05 0.00 -0.26 0.00 0.00 58.87 55.43 2d49 n SER 10 Cb 0.13 -0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 63.28 2d49 n SER 10 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d49 s SER 11 N -0.77 -0.80 0.03 4.04 0.15 -0.67 -5.15 113.70 110.53 2d49 s SER 11 Ca 0.45 1.33 -0.26 0.00 0.70 0.00 0.00 55.95 58.17 2d49 s SER 11 Cb 0.37 1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 66.29 2d49 s SER 11 CO 0.10 -0.22 0.82 0.54 1.20 0.00 0.00 173.24 175.68 2d49 s VAL 12 N 2.34 4.78 0.39 4.45 0.11 -1.26 -4.70 120.40 126.52 2d49 s VAL 12 Ca -0.06 1.74 0.08 0.00 -2.93 0.00 0.00 61.98 60.80 2d49 s VAL 12 Cb -0.10 -4.17 -0.02 0.00 -1.53 0.00 0.00 36.38 30.56 2d49 s VAL 12 CO -0.17 0.30 0.35 -0.31 -3.33 0.00 0.00 175.10 171.94 2d49 s TYR 13 N 0.31 2.76 0.08 1.54 2.02 -0.83 -4.97 117.35 118.27 2d49 s TYR 13 Ca 0.42 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 2d49 s TYR 13 Cb -0.20 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2d49 s TYR 13 CO 0.24 -0.04 0.11 0.25 -1.57 0.00 0.00 175.55 174.54 2d49 n THR 14 N -1.50 0.00 -1.69 -0.71 -2.24 -1.26 -0.40 114.28 106.49 2d49 n THR 14 Ca 0.02 -0.47 -0.52 0.00 -2.27 0.00 0.00 64.05 60.81 2d49 n THR 14 Cb 0.61 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.15 2.93 0.00 3.42 5.15 -1.23 -0.21 115.26 123.17 2d49 n ASN 15 Ca 0.01 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 4.20 3.44 3.68 8.20 0.00 -1.23 -4.90 105.19 118.58 2d49 n GLY 16 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.90 1.47 3.47 -0.02 0.00 0.71 -4.83 105.19 104.09 2d49 n GLY 17 Ca 0.00 0.74 -0.31 0.00 0.00 0.00 0.00 46.02 46.44 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 2.58 2.92 0.25 2.61 2.01 -1.26 -1.55 115.64 123.20 2d49 s THR 18 Ca 0.84 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 2d49 s THR 18 Cb -0.59 -2.20 0.01 0.00 0.01 0.00 0.00 72.50 69.73 2d49 s THR 18 CO 0.41 0.42 0.37 1.33 -0.69 0.00 0.00 174.62 176.46 2d49 n VAL 19 N 1.79 0.00 -4.24 3.82 0.24 0.46 -4.24 118.33 116.15 2d49 n VAL 19 Ca -0.16 -1.18 -0.20 0.00 -2.04 0.00 0.00 64.34 60.76 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 -2.52 2.13 -0.30 -1.34 0.15 -0.80 -0.39 113.70 110.64 2d49 s SER 20 Ca 0.19 -0.72 -0.24 0.00 0.70 0.00 0.00 55.95 55.88 2d49 s SER 20 Cb -0.01 -0.09 0.18 0.00 -1.71 0.00 0.00 66.02 64.39 2d49 s SER 20 CO 0.14 -0.05 1.37 -0.47 1.20 0.00 0.00 173.24 175.42 2d49 s TYR 21 N -1.59 -0.12 -1.94 3.44 5.04 0.49 -1.98 117.35 120.69 2d49 s TYR 21 Ca 0.06 0.29 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 42.66 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 1.81 -5.30 0.00 4.32 2.85 -1.26 -0.90 115.26 116.78 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 -4.45 0.00 0.00 1.24 0.00 0.00 39.78 37.14 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 0.83 1.43 8.20 0.00 -1.26 -5.02 105.19 108.65 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 -2.07 1.45 -5.16 1.61 3.00 -0.08 -0.42 116.66 115.00 2d49 n ARG 24 Ca 0.00 -1.42 -0.31 0.00 -0.01 0.00 0.00 57.85 56.11 2d49 n ARG 24 Cb 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 32.46 32.63 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 -2.12 2.94 -0.08 0.55 0.01 -0.63 -0.38 114.94 115.23 2d49 s ASN 25 Ca 0.02 -0.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.66 2d49 s ASN 25 Cb -0.00 -1.23 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 2d49 s ASN 25 CO 0.02 0.16 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.38 2d49 s TYR 26 N 0.27 2.90 -0.12 2.20 2.02 0.47 -0.10 117.35 125.00 2d49 s TYR 26 Ca -0.15 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2d49 s TYR 26 Cb -0.17 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2d49 s TYR 26 CO 0.07 0.23 -0.13 0.99 -1.57 0.00 0.00 175.55 175.15 2d49 s THR 27 N -0.58 1.36 0.92 -0.71 2.01 0.48 -0.41 115.64 118.71 2d49 s THR 27 Ca 0.09 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 2d49 s THR 27 Cb -0.12 -1.28 0.14 0.00 0.01 0.00 0.00 72.50 71.25 2d49 s THR 27 CO 0.02 0.42 1.13 0.00 -0.69 0.00 0.00 174.62 175.50 2d49 s ALA 28 N 1.30 1.70 -0.02 7.40 0.00 -0.60 -2.43 121.76 129.10 2d49 s ALA 28 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.49 2d49 s ALA 28 Cb -0.14 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 2d49 s ALA 28 CO -0.06 -2.34 0.11 1.17 0.00 0.00 0.00 175.76 174.64 2d49 n LYS 29 N -3.81 0.81 -2.77 0.00 3.00 -1.19 -3.48 118.16 110.73 2d49 n LYS 29 Ca 0.06 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.31 58.29 2d49 n LYS 29 Cb 0.59 -1.15 0.02 0.00 0.00 0.00 0.00 35.03 34.49 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 -1.83 -1.50 -1.63 5.64 2.14 -1.26 -4.10 117.44 114.90 2d49 n TRP 30 Ca -0.03 -0.97 -0.50 0.00 2.07 0.00 0.00 57.50 58.07 2d49 n TRP 30 Cb 0.28 0.48 -0.05 0.00 -0.81 0.00 0.00 31.31 31.21 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 1.87 -3.72 -2.67 -0.00 -1.26 -3.50 117.44 107.80 2d49 n TRP 31 Ca -0.04 0.46 -0.12 0.00 -0.00 0.00 0.00 57.50 57.80 2d49 n TRP 31 Cb 0.36 -2.43 -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 0.84 -0.01 0.53 5.87 -1.32 0.46 -4.94 115.64 117.08 2d49 s THR 32 Ca 0.83 0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 61.30 2d49 s THR 32 Cb -0.83 -0.60 0.11 0.00 -1.51 0.00 0.00 72.50 69.67 2d49 s THR 32 CO 0.44 0.01 0.72 0.00 -2.21 0.00 0.00 174.62 173.58 2d49 n GLN 33 N 3.27 -0.13 -1.48 7.08 1.13 -1.26 -1.96 117.38 124.03 2d49 n GLN 33 Ca -0.16 -1.70 -0.44 0.00 -1.94 0.00 0.00 57.00 52.76 2d49 n GLN 33 Cb 0.57 -0.56 -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 1.56 -3.81 1.08 6.94 -1.26 -4.86 115.26 111.81 2d49 n ASN 34 Ca 0.11 0.09 -0.12 0.00 -0.02 0.00 0.00 54.58 54.63 2d49 n ASN 34 Cb 0.39 -1.24 -0.11 0.00 -2.36 0.00 0.00 39.78 36.46 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2d49 s GLU 35 N 7.65 0.35 -0.18 -3.83 2.02 -1.26 -5.07 118.70 118.39 2d49 s GLU 35 Ca 1.15 0.11 -0.29 0.00 0.02 0.00 0.00 54.97 55.96 2d49 s GLU 35 Cb -0.81 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 33.53 2d49 s GLU 35 CO 0.43 -0.06 2.04 1.03 0.02 0.00 0.00 175.26 178.72 2d49 s ARG 36 N -0.35 3.45 0.44 1.61 0.52 -1.26 -4.95 118.95 118.41 2d49 s ARG 36 Ca -0.05 2.04 -0.24 0.00 -0.52 0.00 0.00 55.73 56.97 2d49 s ARG 36 Cb -0.03 -4.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.09 2d49 s ARG 36 CO 0.01 -1.73 1.17 -1.25 0.02 0.00 0.00 175.30 173.52 2d49 s PRO 37 N 5.66 3.84 0.00 3.54 0.04 -1.26 -3.38 135.00 143.43 2d49 s PRO 37 Ca 0.92 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2d49 s PRO 37 Cb -0.33 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2d49 s PRO 37 CO 0.36 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2d49 n GLY 38 N 0.50 2.48 0.16 0.56 0.00 -1.24 -4.74 105.19 102.91 2d49 n GLY 38 Ca 0.06 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 0.60 -3.87 2.61 2.02 -1.85 -3.45 112.91 108.98 2d49 h THR 39 Ca 0.00 -1.87 -0.68 0.00 0.77 0.00 0.00 66.41 64.63 2d49 h THR 39 Cb 0.00 2.28 -0.21 0.00 -1.74 0.00 0.00 68.15 68.48 2d49 h THR 39 CO 0.00 0.34 -0.81 -0.55 0.37 0.00 0.00 175.52 174.88 2d49 s SER 40 N -6.34 3.81 0.62 4.18 0.15 -1.24 -5.00 113.70 109.88 2d49 s SER 40 Ca 0.04 -0.50 0.32 0.00 0.70 0.00 0.00 55.95 56.51 2d49 s SER 40 Cb 0.07 -0.56 1.78 0.00 -1.71 0.00 0.00 66.02 65.59 2d49 s SER 40 CO 0.73 0.22 2.10 0.44 1.20 0.00 0.00 173.24 177.93 2d49 h ASP 41 N 4.16 0.00 -0.55 5.45 5.19 -1.95 -2.19 116.42 126.54 2d49 h ASP 41 Ca -0.49 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.03 2d49 h ASP 41 Cb 1.16 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.58 2d49 h ASP 41 CO 0.47 0.00 -0.00 0.58 -3.12 0.00 0.00 179.24 177.16 2d49 h VAL 42 N 0.00 0.56 -3.28 -1.35 2.07 -1.96 -3.39 116.25 108.90 2d49 h VAL 42 Ca 0.06 -0.04 -0.62 0.00 0.82 0.00 0.00 66.70 66.92 2d49 h VAL 42 Cb 0.48 0.44 -0.17 0.00 -1.52 0.00 0.00 31.29 30.52 2d49 h VAL 42 CO -0.00 0.02 -0.58 0.26 0.02 0.00 0.00 177.57 177.29 2d49 s TRP 43 N -6.16 3.21 -0.00 1.57 0.52 -0.83 -3.14 118.94 114.11 2d49 s TRP 43 Ca -0.13 0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.04 2d49 s TRP 43 Cb 0.17 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 2d49 s TRP 43 CO 0.73 0.14 -0.13 0.00 0.02 0.00 0.00 176.95 177.72 2d49 s ALA 44 N 0.30 1.04 -0.04 0.98 0.00 -1.02 -3.64 121.76 119.37 2d49 s ALA 44 Ca 0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 2d49 s ALA 44 Cb -0.13 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 2d49 s ALA 44 CO 0.01 0.24 2.04 0.34 0.00 0.00 0.00 175.76 178.39 2d49 s ASP 45 N -0.42 6.15 -0.18 0.00 2.15 -1.26 -0.39 116.67 122.73 2d49 s ASP 45 Ca 0.04 2.42 0.17 0.00 0.43 0.00 0.00 52.55 55.61 2d49 s ASP 45 Cb -0.05 -2.52 0.52 0.00 -0.30 0.00 0.00 42.92 40.57 2d49 s ASP 45 CO -0.00 -1.33 1.41 1.17 -0.17 0.00 0.00 175.17 176.25 2d49 n LYS 46 N 7.90 2.87 -1.37 4.34 3.00 0.86 -4.89 118.16 130.87 2d49 n LYS 46 Ca 0.23 -2.84 0.00 0.00 -0.00 0.00 0.00 58.31 55.70 2d49 n LYS 46 Cb 0.42 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.62 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 0.34 3.51 3.14 0.00 -1.23 -4.94 105.19 105.47 2d49 n GLY 47 Ca 0.21 -1.65 -0.25 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 2.82 -0.16 4.61 0.00 -1.26 -1.60 121.76 125.16 2d49 s ALA 48 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 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 0.33 -0.01 0.00 0.00 0.00 0.00 175.76 176.08 2d49 s GLY 50 N 0.31 1.79 0.26 0.00 0.00 -1.03 -4.69 107.32 103.97 2d49 s GLY 50 Ca -0.01 -2.72 0.05 0.00 0.00 0.00 0.00 44.72 42.03 2d49 s GLY 50 CO 0.02 1.49 -0.02 -1.08 0.00 0.00 0.00 173.10 173.51 2d49 s THR 51 N 0.18 1.31 0.43 0.90 -1.32 -1.26 -3.99 115.64 111.88 2d49 s THR 51 Ca 0.19 -2.07 -0.05 0.00 -1.21 0.00 0.00 61.69 58.55 2d49 s THR 51 Cb -0.22 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2d49 s THR 51 CO -0.02 -0.29 0.73 -0.83 -2.21 0.00 0.00 174.62 172.01 2d49 s GLY 52 N -3.38 1.59 0.00 6.08 0.00 -1.26 -5.17 107.32 105.18 2d49 s GLY 52 Ca 0.30 -0.50 0.17 0.00 0.00 0.00 0.00 44.72 44.68 2d49 s GLY 52 CO 0.11 -0.35 1.02 -1.26 0.00 0.00 0.00 173.10 172.62