#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 3.21 -0.30 0.00 -4.23 -1.26 -4.91 115.64 108.15 2d49 s THR 2 Ca 0.00 0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 2d49 s THR 2 Cb 0.00 -3.22 0.20 0.00 1.34 0.00 0.00 72.50 70.82 2d49 s THR 2 CO 0.00 -0.10 1.46 0.00 -0.54 0.00 0.00 174.62 175.44 2d49 s ALA 4 N -0.26 3.60 0.09 0.00 0.00 -1.26 -5.02 121.76 118.92 2d49 s ALA 4 Ca 0.08 -0.54 -0.32 0.00 0.00 0.00 0.00 51.96 51.19 2d49 s ALA 4 Cb -0.04 -2.33 -0.11 0.00 0.00 0.00 0.00 23.12 20.64 2d49 s ALA 4 CO -0.15 0.20 1.85 2.41 0.00 0.00 0.00 175.76 180.07 2d49 n THR 5 N -1.02 0.42 -1.56 0.00 -1.04 -1.26 -3.48 114.28 106.34 2d49 n THR 5 Ca -0.01 -0.08 -0.44 0.00 -2.04 0.00 0.00 64.05 61.48 2d49 n THR 5 Cb 0.54 -2.09 -0.01 0.00 -1.82 0.00 0.00 70.33 66.95 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 5.86 -0.48 -1.54 2.41 0.00 -1.26 -2.03 120.51 123.47 2d49 n ALA 6 Ca 0.19 0.34 -0.40 0.00 0.00 0.00 0.00 53.44 53.57 2d49 n ALA 6 Cb 0.36 -1.97 0.03 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 -0.04 0.24 -4.06 0.00 -0.00 -0.97 -4.72 117.44 107.90 2d49 n TRP 7 Ca 0.10 0.51 -0.18 0.00 -0.00 0.00 0.00 57.50 57.93 2d49 n TRP 7 Cb 0.34 -2.08 -0.16 0.00 -0.00 0.00 0.00 31.31 29.40 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 -1.01 0.68 0.22 5.87 0.01 -1.26 -5.03 113.70 113.18 2d49 s SER 8 Ca 0.67 -0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.93 2d49 s SER 8 Cb -0.51 -0.34 0.17 0.00 0.21 0.00 0.00 66.02 65.55 2d49 s SER 8 CO 0.54 -0.07 1.50 0.77 0.41 0.00 0.00 173.24 176.39 2d49 h SER 9 N 7.19 0.10 -0.68 2.44 4.64 -1.97 -3.06 113.55 122.20 2d49 h SER 9 Ca -0.40 -0.07 -0.29 0.00 -0.47 0.00 0.00 61.79 60.56 2d49 h SER 9 Cb 1.14 -0.03 -0.17 0.00 -0.31 0.00 0.00 62.40 63.03 2d49 h SER 9 CO 0.48 0.80 0.37 -1.54 -0.87 0.00 0.00 176.83 176.06 2d49 n SER 10 N -3.71 3.90 -3.42 4.97 3.41 -1.26 -3.88 113.62 113.63 2d49 n SER 10 Ca -0.02 -3.10 -0.20 0.00 -0.26 0.00 0.00 58.87 55.29 2d49 n SER 10 Cb 0.71 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.73 2.04 0.28 4.04 0.15 -1.16 -5.13 113.70 113.19 2d49 s SER 11 Ca 0.44 -1.18 -0.30 0.00 0.70 0.00 0.00 55.95 55.61 2d49 s SER 11 Cb 0.36 0.27 -0.11 0.00 -1.71 0.00 0.00 66.02 64.83 2d49 s SER 11 CO 0.10 -0.36 1.51 0.68 1.20 0.00 0.00 173.24 176.36 2d49 s VAL 12 N 1.98 2.35 -0.02 4.45 -7.23 -1.26 -4.66 120.40 116.01 2d49 s VAL 12 Ca 0.12 0.30 0.04 0.00 -1.81 0.00 0.00 61.98 60.63 2d49 s VAL 12 Cb -0.15 -3.19 -0.03 0.00 0.56 0.00 0.00 36.38 33.56 2d49 s VAL 12 CO -0.24 0.05 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.18 2d49 s TYR 13 N -0.16 2.77 0.13 2.82 2.02 -0.96 -4.92 117.35 119.05 2d49 s TYR 13 Ca 0.60 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 57.19 2d49 s TYR 13 Cb -0.45 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 2d49 s TYR 13 CO 0.47 0.28 0.07 0.25 -1.57 0.00 0.00 175.55 175.05 2d49 n THR 14 N 1.89 0.00 -1.66 -0.71 -2.24 -1.26 -0.39 114.28 109.90 2d49 n THR 14 Ca -0.16 -0.55 -0.46 0.00 -2.27 0.00 0.00 64.05 60.60 2d49 n THR 14 Cb 0.52 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.66 2.98 0.00 3.42 5.15 -1.25 -0.87 115.26 123.03 2d49 n ASN 15 Ca -0.02 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 2d49 n ASN 15 Cb 0.15 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.99 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 3.27 3.03 3.62 8.20 0.00 -1.18 -4.89 105.19 117.24 2d49 n GLY 16 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 1.33 3.79 -0.02 0.00 -0.05 -4.77 105.19 103.46 2d49 n GLY 17 Ca 0.00 0.84 -0.34 0.00 0.00 0.00 0.00 46.02 46.52 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 5.75 4.83 0.35 2.61 2.01 -1.26 -0.95 115.64 128.98 2d49 s THR 18 Ca 0.96 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 2d49 s THR 18 Cb -0.55 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 68.81 2d49 s THR 18 CO 0.44 0.45 0.54 0.68 -0.69 0.00 0.00 174.62 176.04 2d49 s VAL 19 N -1.11 0.00 0.16 3.82 -7.23 0.12 -4.16 120.40 112.00 2d49 s VAL 19 Ca 0.20 -1.48 0.10 0.00 -1.81 0.00 0.00 61.98 58.99 2d49 s VAL 19 Cb -0.12 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2d49 s VAL 19 CO 0.10 0.00 -0.20 -0.55 -0.31 0.00 0.00 175.10 174.14 2d49 s SER 20 N -3.20 3.72 -0.30 4.85 0.15 -0.86 -0.40 113.70 117.67 2d49 s SER 20 Ca 0.27 -0.70 -0.21 0.00 0.70 0.00 0.00 55.95 56.01 2d49 s SER 20 Cb -0.01 -0.43 0.19 0.00 -1.71 0.00 0.00 66.02 64.05 2d49 s SER 20 CO 0.18 0.14 1.30 -0.47 1.20 0.00 0.00 173.24 175.60 2d49 s TYR 21 N -1.43 -0.15 -1.93 3.44 5.04 0.52 -2.29 117.35 120.54 2d49 s TYR 21 Ca 0.20 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 2d49 s TYR 21 Cb -0.09 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.53 2d49 s TYR 21 CO 0.10 -0.07 0.00 -1.71 -1.34 0.00 0.00 175.55 172.53 2d49 n ASN 22 N 2.33 -5.28 0.00 4.32 5.15 -1.26 -1.05 115.26 119.47 2d49 n ASN 22 Ca -0.14 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2d49 n ASN 22 Cb 0.57 -4.42 0.00 0.00 -0.53 0.00 0.00 39.78 35.40 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d49 n GLY 23 N -0.72 1.82 1.56 8.20 0.00 -1.26 -5.02 105.19 109.77 2d49 n GLY 23 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 1.07 -4.77 1.61 3.00 -0.22 -0.41 116.66 114.95 2d49 n ARG 24 Ca 0.00 -1.36 -0.30 0.00 -0.01 0.00 0.00 57.85 56.18 2d49 n ARG 24 Cb 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 32.46 32.37 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 -2.35 2.69 0.03 0.55 0.01 -1.05 -0.36 114.94 114.47 2d49 s ASN 25 Ca 0.16 -0.49 0.03 0.00 -0.71 0.00 0.00 52.86 51.85 2d49 s ASN 25 Cb -0.01 -1.23 -0.04 0.00 0.41 0.00 0.00 41.25 40.38 2d49 s ASN 25 CO 0.10 0.08 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.44 2d49 s TYR 26 N 0.69 2.98 -0.14 2.20 2.02 0.46 -0.25 117.35 125.31 2d49 s TYR 26 Ca -0.12 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2d49 s TYR 26 Cb -0.16 -1.60 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 2d49 s TYR 26 CO 0.03 0.44 -0.16 0.99 -1.57 0.00 0.00 175.55 175.28 2d49 s THR 27 N -1.14 1.69 0.99 -0.71 2.01 0.48 -0.70 115.64 118.26 2d49 s THR 27 Ca 0.21 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 2d49 s THR 27 Cb -0.11 -1.56 0.18 0.00 0.01 0.00 0.00 72.50 71.02 2d49 s THR 27 CO 0.12 0.48 1.10 0.00 -0.69 0.00 0.00 174.62 175.64 2d49 s ALA 28 N 1.28 1.11 -0.02 7.40 0.00 -0.13 -2.39 121.76 129.01 2d49 s ALA 28 Ca 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2d49 s ALA 28 Cb -0.14 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2d49 s ALA 28 CO -0.08 -2.75 0.08 1.63 0.00 0.00 0.00 175.76 174.64 2d49 n LYS 29 N -4.10 1.00 -2.91 0.00 4.76 -1.10 -3.13 118.16 112.68 2d49 n LYS 29 Ca 0.05 -0.03 -0.01 0.00 -2.87 0.00 0.00 58.31 55.45 2d49 n LYS 29 Cb 0.58 -1.11 0.01 0.00 -1.84 0.00 0.00 35.03 32.67 2d49 n LYS 29 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 2d49 n TRP 30 N -1.80 -0.92 -1.65 2.13 2.14 -1.26 -3.80 117.44 112.28 2d49 n TRP 30 Ca -0.02 -0.70 -0.51 0.00 2.07 0.00 0.00 57.50 58.33 2d49 n TRP 30 Cb 0.26 0.34 -0.06 0.00 -0.81 0.00 0.00 31.31 31.05 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 -0.45 1.97 -3.75 -2.67 -0.00 -1.24 -3.99 117.44 107.32 2d49 n TRP 31 Ca -0.01 0.41 -0.13 0.00 -0.00 0.00 0.00 57.50 57.77 2d49 n TRP 31 Cb 0.34 -2.47 -0.11 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 1.89 -0.01 0.46 5.87 -1.32 0.47 -4.95 115.64 118.05 2d49 s THR 32 Ca 0.87 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 61.35 2d49 s THR 32 Cb -0.86 -0.49 0.10 0.00 -1.51 0.00 0.00 72.50 69.74 2d49 s THR 32 CO 0.49 0.01 0.63 1.67 -2.21 0.00 0.00 174.62 175.22 2d49 n GLN 33 N 3.19 -0.06 -1.45 7.08 -0.06 -1.26 -2.27 117.38 122.55 2d49 n GLN 33 Ca -0.15 -1.49 -0.47 0.00 -2.00 0.00 0.00 57.00 52.89 2d49 n GLN 33 Cb 0.57 -0.50 -0.10 0.00 -4.06 0.00 0.00 30.24 26.16 2d49 n GLN 33 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2d49 n ASN 34 N -3.09 1.36 -3.78 1.69 5.15 -1.25 -4.89 115.26 110.45 2d49 n ASN 34 Ca 0.10 0.22 -0.13 0.00 -0.60 0.00 0.00 54.58 54.17 2d49 n ASN 34 Cb 0.34 -1.15 -0.11 0.00 -0.53 0.00 0.00 39.78 38.33 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2d49 s GLU 35 N 7.39 0.32 -0.18 1.20 0.41 -1.26 -5.07 118.70 121.51 2d49 s GLU 35 Ca 1.17 0.37 -0.29 0.00 -0.41 0.00 0.00 54.97 55.82 2d49 s GLU 35 Cb -0.97 0.16 -0.05 0.00 -1.78 0.00 0.00 34.13 31.48 2d49 s GLU 35 CO 0.48 -0.04 2.05 1.03 -0.49 0.00 0.00 175.26 178.29 2d49 s ARG 36 N 0.13 3.44 0.45 1.61 0.52 -1.26 -4.95 118.95 118.89 2d49 s ARG 36 Ca -0.00 2.04 -0.23 0.00 -0.52 0.00 0.00 55.73 57.02 2d49 s ARG 36 Cb -0.02 -4.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.10 2d49 s ARG 36 CO 0.00 -1.75 1.17 -1.25 0.02 0.00 0.00 175.30 173.49 2d49 s PRO 37 N 5.69 3.80 0.00 3.54 0.04 -1.26 -3.33 135.00 143.48 2d49 s PRO 37 Ca 0.92 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2d49 s PRO 37 Cb -0.33 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2d49 s PRO 37 CO 0.36 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2d49 n GLY 38 N 0.47 2.74 0.12 0.56 0.00 -1.23 -4.76 105.19 103.09 2d49 n GLY 38 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.45 -3.80 2.61 2.02 -1.83 -3.46 112.91 108.89 2d49 h THR 39 Ca 0.00 -1.76 -0.68 0.00 0.77 0.00 0.00 66.41 64.74 2d49 h THR 39 Cb 0.00 2.02 -0.20 0.00 -1.74 0.00 0.00 68.15 68.23 2d49 h THR 39 CO 0.00 0.25 -0.77 -0.55 0.37 0.00 0.00 175.52 174.83 2d49 s SER 40 N -5.90 4.11 0.60 4.18 0.15 -1.24 -5.00 113.70 110.59 2d49 s SER 40 Ca 0.00 -0.36 0.29 0.00 0.70 0.00 0.00 55.95 56.58 2d49 s SER 40 Cb 0.08 -0.76 1.58 0.00 -1.71 0.00 0.00 66.02 65.21 2d49 s SER 40 CO 0.78 0.24 1.99 0.44 1.20 0.00 0.00 173.24 177.89 2d49 h ASP 41 N 4.33 0.00 -0.42 5.45 3.32 -1.95 -2.02 116.42 125.13 2d49 h ASP 41 Ca -0.48 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.66 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 0.50 0.00 -0.16 0.58 -1.72 0.00 0.00 179.24 178.44 2d49 h VAL 42 N 0.00 0.48 -3.32 -1.35 2.07 -1.94 -3.39 116.25 108.79 2d49 h VAL 42 Ca 0.14 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 67.05 2d49 h VAL 42 Cb 0.83 0.48 -0.15 0.00 -1.52 0.00 0.00 31.29 30.93 2d49 h VAL 42 CO -0.00 0.00 -0.54 0.26 0.02 0.00 0.00 177.57 177.31 2d49 s TRP 43 N -6.18 3.29 -0.06 1.57 0.52 -0.76 -2.70 118.94 114.62 2d49 s TRP 43 Ca -0.14 0.13 0.02 0.00 0.02 0.00 0.00 56.10 56.13 2d49 s TRP 43 Cb 0.15 -2.12 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 2d49 s TRP 43 CO 0.71 0.16 -0.09 0.00 0.02 0.00 0.00 176.95 177.74 2d49 s ALA 44 N 0.46 1.07 0.06 0.98 0.00 -1.01 -3.57 121.76 119.75 2d49 s ALA 44 Ca 0.05 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 2d49 s ALA 44 Cb -0.12 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 2d49 s ALA 44 CO 0.00 0.05 1.84 0.16 0.00 0.00 0.00 175.76 177.82 2d49 s ASP 45 N 0.78 6.49 -0.18 0.00 -4.77 -1.26 -0.39 116.67 117.35 2d49 s ASP 45 Ca -0.13 2.62 0.17 0.00 -3.30 0.00 0.00 52.55 51.90 2d49 s ASP 45 Cb -0.15 -2.55 0.52 0.00 -1.09 0.00 0.00 42.92 39.65 2d49 s ASP 45 CO 0.02 -1.00 1.41 2.29 0.70 0.00 0.00 175.17 178.59 2d49 n LYS 46 N 6.65 2.87 -0.91 2.11 2.85 0.65 -4.91 118.16 127.46 2d49 n LYS 46 Ca 0.18 -2.83 0.00 0.00 -1.05 0.00 0.00 58.31 54.62 2d49 n LYS 46 Cb 0.40 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d49 n GLY 47 N -0.53 0.46 3.51 2.58 0.00 -1.24 -4.98 105.19 105.00 2d49 n GLY 47 Ca 0.21 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.52 121.76 124.25 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 -0.43 -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 0.33 0.59 0.01 0.00 0.00 -0.85 -4.73 107.32 102.67 2d49 s GLY 50 Ca -0.01 -2.02 0.07 0.00 0.00 0.00 0.00 44.72 42.76 2d49 s GLY 50 CO 0.02 3.24 -0.22 -0.51 0.00 0.00 0.00 173.10 175.64 2d49 s THR 51 N 8.51 1.72 0.00 0.90 -4.23 -1.26 -4.80 115.64 116.48 2d49 s THR 51 Ca 0.63 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2d49 s THR 51 Cb -0.02 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.36 2d49 s THR 51 CO 0.02 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 2d49 n GLY 52 N 2.24 2.11 0.00 3.99 0.00 -1.26 -5.15 105.19 107.11 2d49 n GLY 52 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2d49 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18