#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 2.13 -0.30 0.00 -1.32 -1.26 -4.89 115.64 110.00 2d49 s THR 2 Ca 0.00 0.12 -0.27 0.00 -1.21 0.00 0.00 61.69 60.33 2d49 s THR 2 Cb 0.00 -3.07 0.20 0.00 -1.51 0.00 0.00 72.50 68.11 2d49 s THR 2 CO 0.00 0.02 1.43 0.00 -2.21 0.00 0.00 174.62 173.86 2d49 s ALA 4 N -0.49 3.77 0.08 0.00 0.00 -1.26 -5.03 121.76 118.83 2d49 s ALA 4 Ca 0.09 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 2d49 s ALA 4 Cb -0.03 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.91 2d49 s ALA 4 CO -0.12 0.37 1.88 -2.37 0.00 0.00 0.00 175.76 175.51 2d49 n THR 5 N -0.76 0.50 -1.57 0.00 5.66 -1.26 -3.37 114.28 113.47 2d49 n THR 5 Ca -0.04 -0.09 -0.44 0.00 -3.05 0.00 0.00 64.05 60.43 2d49 n THR 5 Cb 0.54 -2.14 -0.01 0.00 -1.55 0.00 0.00 70.33 67.17 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 6.22 -0.39 -1.59 1.79 0.00 -1.26 -1.99 120.51 123.30 2d49 n ALA 6 Ca 0.19 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.55 2d49 n ALA 6 Cb 0.37 -1.99 -0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 0.01 1.09 -3.68 0.00 -0.00 -0.96 -4.72 117.44 109.18 2d49 n TRP 7 Ca 0.10 0.64 -0.24 0.00 -0.00 0.00 0.00 57.50 58.00 2d49 n TRP 7 Cb 0.33 -2.22 -0.17 0.00 -0.00 0.00 0.00 31.31 29.25 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 -0.66 1.96 0.42 5.87 0.01 -1.26 -5.00 113.70 115.05 2d49 s SER 8 Ca 0.61 -0.35 0.29 0.00 1.31 0.00 0.00 55.95 57.81 2d49 s SER 8 Cb -0.63 -0.32 1.44 0.00 0.21 0.00 0.00 66.02 66.71 2d49 s SER 8 CO 0.59 -0.28 1.89 0.77 0.41 0.00 0.00 173.24 176.62 2d49 h SER 9 N 8.37 0.00 -0.69 2.44 4.64 -1.96 -1.75 113.55 124.60 2d49 h SER 9 Ca -0.15 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.88 2d49 h SER 9 Cb 1.13 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.05 2d49 h SER 9 CO 0.25 0.00 0.37 -1.20 -0.87 0.00 0.00 176.83 175.38 2d49 n SER 10 N -2.58 3.93 -3.22 4.97 7.64 -1.26 -4.25 113.62 118.86 2d49 n SER 10 Ca -0.00 -3.11 -0.01 0.00 1.01 0.00 0.00 58.87 56.75 2d49 n SER 10 Cb 0.14 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 2d49 n SER 10 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d49 s SER 11 N -0.75 -0.81 0.19 6.43 0.15 -0.66 -5.14 113.70 113.12 2d49 s SER 11 Ca 0.44 0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.97 2d49 s SER 11 Cb 0.36 1.70 -0.11 0.00 -1.71 0.00 0.00 66.02 66.27 2d49 s SER 11 CO 0.10 -0.31 1.61 0.54 1.20 0.00 0.00 173.24 176.38 2d49 s VAL 12 N 2.72 2.41 -0.10 4.45 0.11 -1.26 -4.74 120.40 123.99 2d49 s VAL 12 Ca 0.13 0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.45 2d49 s VAL 12 Cb -0.12 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.50 2d49 s VAL 12 CO -0.25 0.03 0.02 -0.31 -3.33 0.00 0.00 175.10 171.25 2d49 s TYR 13 N 0.98 3.20 0.43 1.54 2.02 -0.93 -4.94 117.35 119.65 2d49 s TYR 13 Ca 0.70 0.18 0.02 0.00 -0.37 0.00 0.00 57.07 57.60 2d49 s TYR 13 Cb -0.46 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 2d49 s TYR 13 CO 0.34 0.43 0.19 0.25 -1.57 0.00 0.00 175.55 175.19 2d49 n THR 14 N 2.33 0.00 -1.66 -0.71 -2.24 -1.26 -0.33 114.28 110.41 2d49 n THR 14 Ca -0.18 -1.85 -0.51 0.00 -2.27 0.00 0.00 64.05 59.24 2d49 n THR 14 Cb 0.54 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.61 2.70 0.00 3.42 0.23 -1.25 -1.14 115.26 117.61 2d49 n ASN 15 Ca -0.08 1.06 0.00 0.00 -0.53 0.00 0.00 54.58 55.03 2d49 n ASN 15 Cb 0.52 -1.29 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 3.65 0.87 3.63 4.83 0.00 -1.24 -4.91 105.19 112.01 2d49 n GLY 16 Ca 0.21 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2d49 n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d49 s GLY 17 N -2.03 1.77 -0.11 -0.02 0.00 -0.30 -4.95 107.32 101.70 2d49 s GLY 17 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.39 2d49 s GLY 17 CO 0.00 1.65 0.03 -0.51 0.00 0.00 0.00 173.10 174.27 2d49 s THR 18 N 2.72 4.51 0.36 0.90 -4.23 -1.26 -1.40 115.64 117.23 2d49 s THR 18 Ca 0.31 -0.16 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2d49 s THR 18 Cb -0.15 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2d49 s THR 18 CO 0.08 0.58 0.46 0.68 -0.54 0.00 0.00 174.62 175.89 2d49 s VAL 19 N -0.67 0.00 0.13 2.29 -7.23 0.06 -4.12 120.40 110.86 2d49 s VAL 19 Ca 0.11 -1.66 0.10 0.00 -1.81 0.00 0.00 61.98 58.72 2d49 s VAL 19 Cb -0.12 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2d49 s VAL 19 CO 0.02 0.00 -0.25 -0.55 -0.31 0.00 0.00 175.10 174.01 2d49 s SER 20 N -3.28 3.12 -0.30 4.85 0.15 -0.84 -0.64 113.70 116.76 2d49 s SER 20 Ca 0.32 -0.75 -0.23 0.00 0.70 0.00 0.00 55.95 56.00 2d49 s SER 20 Cb -0.00 -0.20 0.19 0.00 -1.71 0.00 0.00 66.02 64.29 2d49 s SER 20 CO 0.23 0.14 1.34 -0.47 1.20 0.00 0.00 173.24 175.68 2d49 s TYR 21 N -1.16 -0.13 -1.94 3.44 5.04 0.57 -2.27 117.35 120.91 2d49 s TYR 21 Ca 0.13 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 2d49 s TYR 21 Cb -0.10 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.59 2d49 s TYR 21 CO 0.06 -0.06 0.00 0.09 -1.34 0.00 0.00 175.55 174.30 2d49 n ASN 22 N 2.04 -5.28 0.00 4.32 4.13 -1.26 -1.14 115.26 118.07 2d49 n ASN 22 Ca -0.12 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2d49 n ASN 22 Cb 0.57 -4.41 0.00 0.00 -1.54 0.00 0.00 39.78 34.39 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 -0.72 2.26 1.48 7.41 0.00 -1.26 -5.01 105.19 109.34 2d49 n GLY 23 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 1.05 -4.89 1.61 1.74 -0.29 -0.39 116.66 113.49 2d49 n ARG 24 Ca 0.00 -1.27 -0.31 0.00 -0.77 0.00 0.00 57.85 55.50 2d49 n ARG 24 Cb 0.00 0.05 -0.17 0.00 -1.02 0.00 0.00 32.46 31.32 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 -2.30 2.90 -0.04 0.55 0.01 -0.97 -0.32 114.94 114.78 2d49 s ASN 25 Ca 0.17 -0.54 -0.00 0.00 -0.71 0.00 0.00 52.86 51.78 2d49 s ASN 25 Cb -0.01 -1.33 -0.04 0.00 0.41 0.00 0.00 41.25 40.28 2d49 s ASN 25 CO 0.11 0.10 0.02 -0.31 -1.51 0.00 0.00 177.10 175.51 2d49 s TYR 26 N 0.61 3.16 -0.14 2.20 1.51 0.19 -0.16 117.35 124.72 2d49 s TYR 26 Ca -0.13 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 2d49 s TYR 26 Cb -0.17 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 39.97 2d49 s TYR 26 CO 0.04 0.49 -0.14 0.99 -1.11 0.00 0.00 175.55 175.82 2d49 s THR 27 N -1.03 1.52 0.98 -0.71 2.01 0.45 -0.76 115.64 118.10 2d49 s THR 27 Ca 0.18 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.44 2d49 s THR 27 Cb -0.12 -1.43 0.18 0.00 0.01 0.00 0.00 72.50 71.15 2d49 s THR 27 CO 0.08 0.45 1.11 0.00 -0.69 0.00 0.00 174.62 175.57 2d49 s ALA 28 N 1.40 1.21 -0.02 7.40 0.00 -0.50 -2.42 121.76 128.83 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 -0.13 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2d49 s ALA 28 CO -0.09 -2.68 0.07 1.17 0.00 0.00 0.00 175.76 174.23 2d49 n LYS 29 N -4.06 1.56 -2.77 0.00 3.00 -1.15 -3.72 118.16 111.01 2d49 n LYS 29 Ca 0.06 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.31 58.31 2d49 n LYS 29 Cb 0.58 -1.12 0.02 0.00 0.00 0.00 0.00 35.03 34.51 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 -1.90 -1.43 -1.64 5.64 2.14 -1.26 -4.10 117.44 114.89 2d49 n TRP 30 Ca -0.04 -0.94 -0.50 0.00 2.07 0.00 0.00 57.50 58.10 2d49 n TRP 30 Cb 0.37 0.46 -0.05 0.00 -0.81 0.00 0.00 31.31 31.28 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 -0.38 1.91 -3.72 -2.67 -0.00 -1.26 -3.81 117.44 107.51 2d49 n TRP 31 Ca -0.03 0.44 -0.13 0.00 -0.00 0.00 0.00 57.50 57.78 2d49 n TRP 31 Cb 0.35 -2.45 -0.10 0.00 -0.00 0.00 0.00 31.31 29.11 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 1.13 -0.00 0.53 5.87 -1.32 0.55 -4.96 115.64 117.44 2d49 s THR 32 Ca 0.84 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 61.30 2d49 s THR 32 Cb -0.84 -0.60 0.11 0.00 -1.51 0.00 0.00 72.50 69.66 2d49 s THR 32 CO 0.45 0.01 0.72 1.67 -2.21 0.00 0.00 174.62 175.26 2d49 n GLN 33 N 3.10 -0.13 -1.48 7.08 -0.06 -1.26 -2.18 117.38 122.44 2d49 n GLN 33 Ca -0.15 -1.68 -0.44 0.00 -2.00 0.00 0.00 57.00 52.73 2d49 n GLN 33 Cb 0.57 -0.57 -0.09 0.00 -4.06 0.00 0.00 30.24 26.10 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2d49 n ASN 34 N -3.11 1.54 -3.82 1.69 0.23 -1.26 -4.89 115.26 105.64 2d49 n ASN 34 Ca 0.11 0.08 -0.12 0.00 -0.53 0.00 0.00 54.58 54.12 2d49 n ASN 34 Cb 0.39 -1.23 -0.11 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 7.68 0.32 -0.18 -3.83 0.41 -1.26 -5.05 118.70 116.79 2d49 s GLU 35 Ca 1.15 0.04 -0.29 0.00 -0.41 0.00 0.00 54.97 55.46 2d49 s GLU 35 Cb -0.81 0.14 -0.05 0.00 -1.78 0.00 0.00 34.13 31.63 2d49 s GLU 35 CO 0.43 -0.06 2.06 1.03 -0.49 0.00 0.00 175.26 178.23 2d49 s ARG 36 N -0.42 3.43 0.44 1.61 0.52 -1.26 -4.95 118.95 118.32 2d49 s ARG 36 Ca -0.05 2.04 -0.24 0.00 -0.52 0.00 0.00 55.73 56.96 2d49 s ARG 36 Cb -0.03 -4.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.08 2d49 s ARG 36 CO 0.01 -1.76 1.17 -1.25 0.02 0.00 0.00 175.30 173.49 2d49 s PRO 37 N 5.71 3.83 0.00 3.54 0.04 -1.26 -3.38 135.00 143.48 2d49 s PRO 37 Ca 0.93 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2d49 s PRO 37 Cb -0.33 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2d49 s PRO 37 CO 0.36 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2d49 n GLY 38 N 0.49 2.47 0.14 0.56 0.00 -1.23 -4.74 105.19 102.88 2d49 n GLY 38 Ca 0.06 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 0.83 -3.80 2.61 2.02 -1.84 -3.45 112.91 109.27 2d49 h THR 39 Ca 0.00 -2.16 -0.68 0.00 0.77 0.00 0.00 66.41 64.34 2d49 h THR 39 Cb 0.00 2.40 -0.20 0.00 -1.74 0.00 0.00 68.15 68.61 2d49 h THR 39 CO 0.00 0.47 -0.79 -0.55 0.37 0.00 0.00 175.52 175.02 2d49 s SER 40 N -6.45 3.97 0.62 4.18 0.15 -1.24 -5.00 113.70 109.92 2d49 s SER 40 Ca 0.04 -0.45 0.31 0.00 0.70 0.00 0.00 55.95 56.55 2d49 s SER 40 Cb 0.07 -0.65 1.75 0.00 -1.71 0.00 0.00 66.02 65.48 2d49 s SER 40 CO 0.74 0.22 2.08 0.44 1.20 0.00 0.00 173.24 177.92 2d49 h ASP 41 N 4.12 0.00 -0.53 5.45 3.32 -1.95 -2.17 116.42 124.66 2d49 h ASP 41 Ca -0.49 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.67 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 0.48 0.00 -0.03 0.58 -1.72 0.00 0.00 179.24 178.55 2d49 h VAL 42 N 0.00 0.55 -3.33 -1.35 2.07 -1.96 -3.39 116.25 108.85 2d49 h VAL 42 Ca 0.07 -0.03 -0.62 0.00 0.82 0.00 0.00 66.70 66.94 2d49 h VAL 42 Cb 0.52 0.45 -0.17 0.00 -1.52 0.00 0.00 31.29 30.57 2d49 h VAL 42 CO -0.00 0.02 -0.58 0.26 0.02 0.00 0.00 177.57 177.28 2d49 s TRP 43 N -6.18 3.20 -0.05 1.57 0.52 -0.82 -2.95 118.94 114.24 2d49 s TRP 43 Ca -0.14 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 55.98 2d49 s TRP 43 Cb 0.17 -2.08 0.01 0.00 -1.15 0.00 0.00 33.47 30.43 2d49 s TRP 43 CO 0.73 0.08 -0.10 0.00 0.02 0.00 0.00 176.95 177.68 2d49 s ALA 44 N 0.49 1.07 0.06 0.98 0.00 -1.02 -3.56 121.76 119.78 2d49 s ALA 44 Ca 0.02 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.36 2d49 s ALA 44 Cb -0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 23.12 22.39 2d49 s ALA 44 CO 0.01 0.09 1.92 -0.40 0.00 0.00 0.00 175.76 177.38 2d49 n ASP 45 N 3.80 4.08 -0.87 0.00 5.75 -1.26 -0.41 116.55 127.63 2d49 n ASP 45 Ca -0.23 0.94 0.09 0.00 -0.01 0.00 0.00 54.79 55.58 2d49 n ASP 45 Cb 0.52 -1.52 0.26 0.00 -1.03 0.00 0.00 41.12 39.34 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 6.73 2.88 -1.29 0.11 4.81 0.77 -4.89 118.16 127.28 2d49 n LYS 46 Ca 0.19 -2.84 0.00 0.00 -0.87 0.00 0.00 58.31 54.79 2d49 n LYS 46 Cb 0.39 -1.84 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 0.49 3.51 3.14 0.00 -1.24 -4.97 105.19 105.58 2d49 n GLY 47 Ca 0.21 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 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 2.81 -0.16 4.61 0.00 -1.26 -2.30 121.76 124.46 2d49 s ALA 48 Ca 0.00 -1.74 -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 -0.00 0.00 0.00 0.00 0.00 175.76 176.08 2d49 s GLY 50 N 0.33 2.74 0.15 0.00 0.00 -0.83 -4.73 107.32 104.97 2d49 s GLY 50 Ca -0.02 -3.42 -0.30 0.00 0.00 0.00 0.00 44.72 40.99 2d49 s GLY 50 CO 0.02 1.23 1.02 -0.51 0.00 0.00 0.00 173.10 174.86 2d49 s THR 51 N -0.17 4.20 0.49 0.90 -4.23 -1.26 -3.22 115.64 112.36 2d49 s THR 51 Ca 0.20 1.89 -0.24 0.00 -1.18 0.00 0.00 61.69 62.36 2d49 s THR 51 Cb -0.12 -4.21 -0.07 0.00 1.34 0.00 0.00 72.50 69.45 2d49 s THR 51 CO -0.08 0.32 1.41 0.61 -0.54 0.00 0.00 174.62 176.34 2d49 n GLY 52 N 2.10 0.93 0.26 3.99 0.00 -1.26 -4.90 105.19 106.31 2d49 n GLY 52 Ca 0.02 0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.31 2d49 n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06