#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 4.43 -0.30 0.00 2.01 -1.22 -5.03 115.64 115.54 2d49 s THR 2 Ca 0.00 -0.94 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 2d49 s THR 2 Cb 0.00 -3.49 0.19 0.00 0.01 0.00 0.00 72.50 69.20 2d49 s THR 2 CO 0.00 -0.24 1.25 0.00 -0.69 0.00 0.00 174.62 174.93 2d49 s ALA 4 N 0.71 3.15 0.22 0.00 0.00 -1.26 -4.99 121.76 119.59 2d49 s ALA 4 Ca -0.03 0.03 -0.32 0.00 0.00 0.00 0.00 51.96 51.65 2d49 s ALA 4 Cb -0.04 -3.00 -0.12 0.00 0.00 0.00 0.00 23.12 19.97 2d49 s ALA 4 CO -0.12 -0.24 1.67 -2.37 0.00 0.00 0.00 175.76 174.70 2d49 n THR 5 N -1.68 0.25 -1.54 0.00 5.66 -1.26 -2.84 114.28 112.88 2d49 n THR 5 Ca 0.05 -0.06 -0.43 0.00 -3.05 0.00 0.00 64.05 60.55 2d49 n THR 5 Cb 0.54 -1.91 -0.01 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 3.43 -0.71 -1.57 1.79 0.00 -1.26 -1.96 120.51 120.23 2d49 n ALA 6 Ca 0.14 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 2d49 n ALA 6 Cb 0.34 -1.93 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 -0.23 0.75 -3.76 0.00 -0.00 -1.00 -4.69 117.44 108.51 2d49 n TRP 7 Ca 0.11 0.58 -0.28 0.00 -0.00 0.00 0.00 57.50 57.91 2d49 n TRP 7 Cb 0.35 -2.17 -0.16 0.00 -0.00 0.00 0.00 31.31 29.33 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 -0.81 2.89 0.43 5.87 0.15 -1.26 -4.99 113.70 115.99 2d49 s SER 8 Ca 0.64 -0.79 0.30 0.00 0.70 0.00 0.00 55.95 56.79 2d49 s SER 8 Cb -0.57 -0.64 1.51 0.00 -1.71 0.00 0.00 66.02 64.60 2d49 s SER 8 CO 0.57 -0.29 1.90 0.28 1.20 0.00 0.00 173.24 176.90 2d49 h SER 9 N 8.22 0.00 -0.68 5.45 0.02 -1.95 -1.34 113.55 123.27 2d49 h SER 9 Ca -0.17 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.51 2d49 h SER 9 Cb 1.12 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.50 2d49 h SER 9 CO 0.34 0.00 0.34 -1.20 -1.14 0.00 0.00 176.83 175.17 2d49 n SER 10 N -2.58 4.04 -3.58 3.07 7.64 -1.26 -4.48 113.62 116.47 2d49 n SER 10 Ca -0.01 -3.10 -0.04 0.00 1.01 0.00 0.00 58.87 56.73 2d49 n SER 10 Cb 0.11 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.52 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 -0.76 -0.68 0.09 6.43 0.15 -0.50 -5.14 113.70 113.28 2d49 s SER 11 Ca 0.45 1.16 -0.30 0.00 0.70 0.00 0.00 55.95 57.96 2d49 s SER 11 Cb 0.37 1.79 -0.06 0.00 -1.71 0.00 0.00 66.02 66.41 2d49 s SER 11 CO 0.10 -0.24 1.07 0.54 1.20 0.00 0.00 173.24 175.91 2d49 s VAL 12 N 2.75 4.27 0.40 4.45 0.11 -1.26 -4.74 120.40 126.38 2d49 s VAL 12 Ca -0.00 1.78 0.08 0.00 -2.93 0.00 0.00 61.98 60.90 2d49 s VAL 12 Cb -0.13 -4.14 -0.02 0.00 -1.53 0.00 0.00 36.38 30.56 2d49 s VAL 12 CO -0.16 0.22 0.35 -0.31 -3.33 0.00 0.00 175.10 171.87 2d49 s TYR 13 N 0.41 2.73 0.08 1.54 1.51 -0.83 -4.97 117.35 117.81 2d49 s TYR 13 Ca 0.52 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.11 2d49 s TYR 13 Cb -0.26 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 2d49 s TYR 13 CO 0.31 -0.05 0.10 0.25 -1.11 0.00 0.00 175.55 175.04 2d49 n THR 14 N -1.50 0.00 -1.63 -0.71 -2.24 -1.26 -0.38 114.28 106.57 2d49 n THR 14 Ca 0.02 -0.43 -0.48 0.00 -2.27 0.00 0.00 64.05 60.90 2d49 n THR 14 Cb 0.62 0.25 -0.04 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 -2.17 2.27 0.00 3.42 5.15 -1.23 -0.89 115.26 121.81 2d49 n ASN 15 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 2d49 n ASN 15 Cb 0.13 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.06 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 2.61 2.93 3.63 8.20 0.00 -1.24 -4.89 105.19 116.43 2d49 n GLY 16 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.36 0.04 3.00 -0.02 0.00 -0.07 -4.76 105.19 103.02 2d49 n GLY 17 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.09 0.60 0.29 2.61 2.01 -1.26 -1.00 115.64 117.81 2d49 s THR 18 Ca 0.58 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.29 2d49 s THR 18 Cb -0.64 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 2d49 s THR 18 CO 0.61 0.17 0.31 1.33 -0.69 0.00 0.00 174.62 176.35 2d49 n VAL 19 N 2.90 0.00 -4.33 3.82 0.24 -0.05 -4.11 118.33 116.81 2d49 n VAL 19 Ca -0.13 -1.92 -0.24 0.00 -2.04 0.00 0.00 64.34 60.00 2d49 n VAL 19 Cb 0.57 1.02 -0.13 0.00 -1.47 0.00 0.00 33.84 33.84 2d49 n VAL 19 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2d49 s SER 20 N -2.98 2.58 -0.28 -1.34 1.04 -0.83 -0.39 113.70 111.50 2d49 s SER 20 Ca 0.31 -0.67 -0.27 0.00 0.48 0.00 0.00 55.95 55.80 2d49 s SER 20 Cb 0.01 -0.15 0.18 0.00 0.10 0.00 0.00 66.02 66.16 2d49 s SER 20 CO 0.22 0.08 1.35 -0.47 0.98 0.00 0.00 173.24 175.40 2d49 s TYR 21 N -1.12 -0.11 -1.90 5.02 5.04 0.80 -2.39 117.35 122.69 2d49 s TYR 21 Ca 0.07 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 2d49 s TYR 21 Cb -0.10 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.69 2d49 s TYR 21 CO 0.04 -0.07 0.00 -1.71 -1.34 0.00 0.00 175.55 172.47 2d49 n ASN 22 N 1.24 -5.24 0.00 4.32 5.15 -1.26 -1.04 115.26 118.42 2d49 n ASN 22 Ca -0.07 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 2d49 n ASN 22 Cb 0.57 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.46 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 -0.75 0.57 1.93 8.20 0.00 -1.26 -5.02 105.19 108.84 2d49 n GLY 23 Ca -0.19 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.85 0.74 -4.72 1.61 1.74 -0.21 -1.36 116.66 111.61 2d49 n ARG 24 Ca 0.00 -1.98 -0.29 0.00 -0.77 0.00 0.00 57.85 54.81 2d49 n ARG 24 Cb 0.00 1.07 -0.17 0.00 -1.02 0.00 0.00 32.46 32.34 2d49 n ARG 24 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2d49 s ASN 25 N -2.44 2.50 0.13 0.55 2.20 -1.05 -0.14 114.94 116.69 2d49 s ASN 25 Ca 0.12 -0.45 0.06 0.00 -0.94 0.00 0.00 52.86 51.65 2d49 s ASN 25 Cb 0.01 -1.14 -0.04 0.00 -2.00 0.00 0.00 41.25 38.08 2d49 s ASN 25 CO 0.08 0.07 0.01 -0.31 -2.94 0.00 0.00 177.10 174.01 2d49 s TYR 26 N 0.71 2.95 -0.09 1.54 1.51 0.48 -0.25 117.35 124.19 2d49 s TYR 26 Ca -0.12 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2d49 s TYR 26 Cb -0.16 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 2d49 s TYR 26 CO 0.03 0.50 -0.10 0.95 -1.11 0.00 0.00 175.55 175.81 2d49 s THR 27 N -1.52 1.09 0.98 -0.71 -4.23 0.52 -0.87 115.64 110.89 2d49 s THR 27 Ca 0.27 -0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 2d49 s THR 27 Cb -0.11 -1.05 0.18 0.00 1.34 0.00 0.00 72.50 72.86 2d49 s THR 27 CO 0.19 0.36 1.11 0.00 -0.54 0.00 0.00 174.62 175.74 2d49 s ALA 28 N 1.19 1.20 -0.02 3.99 0.00 -0.17 -2.38 121.76 125.57 2d49 s ALA 28 Ca -0.05 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2d49 s ALA 28 Cb -0.14 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2d49 s ALA 28 CO -0.03 -2.68 0.05 1.17 0.00 0.00 0.00 175.76 174.28 2d49 n LYS 29 N -4.05 1.64 -2.72 0.00 3.00 -1.12 -3.65 118.16 111.25 2d49 n LYS 29 Ca 0.06 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.31 58.32 2d49 n LYS 29 Cb 0.58 -1.09 0.01 0.00 0.00 0.00 0.00 35.03 34.54 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 -1.86 -1.18 -1.62 5.64 2.14 -1.26 -4.14 117.44 115.15 2d49 n TRP 30 Ca -0.03 -0.78 -0.50 0.00 2.07 0.00 0.00 57.50 58.26 2d49 n TRP 30 Cb 0.33 0.38 -0.05 0.00 -0.81 0.00 0.00 31.31 31.16 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 1.80 -3.72 -2.67 -0.00 -1.26 -3.48 117.44 107.73 2d49 n TRP 31 Ca -0.02 0.50 -0.13 0.00 -0.00 0.00 0.00 57.50 57.85 2d49 n TRP 31 Cb 0.32 -2.41 -0.10 0.00 -0.00 0.00 0.00 31.31 29.12 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 0.91 -0.01 0.52 5.87 -1.32 0.49 -4.93 115.64 117.17 2d49 s THR 32 Ca 0.84 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 61.31 2d49 s THR 32 Cb -0.87 -0.60 0.11 0.00 -1.51 0.00 0.00 72.50 69.63 2d49 s THR 32 CO 0.45 0.01 0.71 0.00 -2.21 0.00 0.00 174.62 173.58 2d49 n GLN 33 N 3.16 -0.12 -1.47 7.08 1.13 -1.26 -1.97 117.38 123.93 2d49 n GLN 33 Ca -0.15 -1.65 -0.45 0.00 -1.94 0.00 0.00 57.00 52.81 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 -3.11 1.51 -3.80 1.08 6.94 -1.26 -4.85 115.26 111.76 2d49 n ASN 34 Ca 0.11 0.14 -0.12 0.00 -0.02 0.00 0.00 54.58 54.68 2d49 n ASN 34 Cb 0.38 -1.21 -0.11 0.00 -2.36 0.00 0.00 39.78 36.48 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 2d49 s GLU 35 N 7.53 0.36 -0.18 -3.83 4.04 -1.26 -5.08 118.70 120.28 2d49 s GLU 35 Ca 1.16 0.16 -0.29 0.00 0.04 0.00 0.00 54.97 56.04 2d49 s GLU 35 Cb -0.87 0.16 -0.05 0.00 0.02 0.00 0.00 34.13 33.39 2d49 s GLU 35 CO 0.45 -0.06 2.05 0.50 -1.84 0.00 0.00 175.26 176.35 2d49 s ARG 36 N -0.28 3.44 0.44 -4.83 3.52 -1.26 -4.95 118.95 115.04 2d49 s ARG 36 Ca -0.04 2.04 -0.24 0.00 -0.13 0.00 0.00 55.73 57.36 2d49 s ARG 36 Cb -0.03 -4.27 -0.08 0.00 -1.56 0.00 0.00 34.95 29.01 2d49 s ARG 36 CO 0.01 -1.74 1.17 -1.25 -0.81 0.00 0.00 175.30 172.68 2d49 s PRO 37 N 5.68 3.84 0.00 5.12 0.04 -1.26 -3.32 135.00 145.09 2d49 s PRO 37 Ca 0.92 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2d49 s PRO 37 Cb -0.33 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.72 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 2.72 0.12 0.56 0.00 -1.24 -4.75 105.19 103.10 2d49 n GLY 38 Ca 0.06 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 0.37 -3.67 2.61 2.02 -1.84 -3.46 112.91 108.94 2d49 h THR 39 Ca 0.00 -1.64 -0.68 0.00 0.77 0.00 0.00 66.41 64.86 2d49 h THR 39 Cb 0.00 1.95 -0.18 0.00 -1.74 0.00 0.00 68.15 68.18 2d49 h THR 39 CO 0.00 0.21 -0.72 -0.55 0.37 0.00 0.00 175.52 174.83 2d49 s SER 40 N -5.83 4.47 0.59 4.18 0.15 -1.24 -4.99 113.70 111.02 2d49 s SER 40 Ca 0.00 -0.21 0.29 0.00 0.70 0.00 0.00 55.95 56.73 2d49 s SER 40 Cb 0.08 -0.98 1.53 0.00 -1.71 0.00 0.00 66.02 64.94 2d49 s SER 40 CO 0.78 0.27 1.96 -0.78 1.20 0.00 0.00 173.24 176.67 2d49 h ASP 41 N 4.47 0.00 -0.38 5.45 1.82 -1.95 -1.95 116.42 123.88 2d49 h ASP 41 Ca -0.48 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.24 2d49 h ASP 41 Cb 1.17 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.09 2d49 h ASP 41 CO 0.53 0.00 -0.19 0.58 -1.61 0.00 0.00 179.24 178.54 2d49 h VAL 42 N 0.00 0.43 -3.26 2.25 2.07 -1.94 -3.39 116.25 112.40 2d49 h VAL 42 Ca 0.17 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 67.09 2d49 h VAL 42 Cb 0.96 0.43 -0.13 0.00 -1.52 0.00 0.00 31.29 31.03 2d49 h VAL 42 CO -0.00 0.00 -0.50 0.26 0.02 0.00 0.00 177.57 177.34 2d49 s TRP 43 N -6.14 3.38 -0.05 1.57 0.52 -0.73 -2.81 118.94 114.68 2d49 s TRP 43 Ca -0.14 0.28 0.02 0.00 0.02 0.00 0.00 56.10 56.28 2d49 s TRP 43 Cb 0.14 -2.14 0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2d49 s TRP 43 CO 0.70 0.27 -0.10 0.00 0.02 0.00 0.00 176.95 177.84 2d49 s ALA 44 N 0.33 1.06 0.02 0.98 0.00 -1.00 -3.73 121.76 119.43 2d49 s ALA 44 Ca 0.07 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2d49 s ALA 44 Cb -0.11 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 2d49 s ALA 44 CO -0.01 0.11 1.68 0.16 0.00 0.00 0.00 175.76 177.70 2d49 s ASP 45 N 0.52 6.61 -0.19 0.00 -4.77 -1.26 -0.36 116.67 117.23 2d49 s ASP 45 Ca -0.10 2.41 0.16 0.00 -3.30 0.00 0.00 52.55 51.73 2d49 s ASP 45 Cb -0.13 -2.55 0.53 0.00 -1.09 0.00 0.00 42.92 39.68 2d49 s ASP 45 CO 0.02 -0.91 1.43 2.29 0.70 0.00 0.00 175.17 178.70 2d49 n LYS 46 N 6.31 2.89 -1.42 2.11 2.85 0.65 -4.93 118.16 126.61 2d49 n LYS 46 Ca 0.17 -2.87 0.00 0.00 -1.05 0.00 0.00 58.31 54.56 2d49 n LYS 46 Cb 0.41 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 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 0.40 3.67 2.58 0.00 -1.24 -4.98 105.19 105.08 2d49 n GLY 47 Ca 0.22 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 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 3.22 -0.16 4.61 0.00 -1.26 -2.54 121.76 124.63 2d49 s ALA 48 Ca 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.34 2d49 s ALA 48 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2d49 s ALA 48 CO 0.00 0.30 0.01 0.00 0.00 0.00 0.00 175.76 176.07 2d49 s GLY 50 N 0.31 0.45 0.07 0.00 0.00 -1.04 -4.72 107.32 102.38 2d49 s GLY 50 Ca -0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 44.72 44.31 2d49 s GLY 50 CO 0.02 1.41 0.37 -1.08 0.00 0.00 0.00 173.10 173.81 2d49 s THR 51 N 2.02 0.07 -0.36 0.90 -1.32 -1.26 -3.40 115.64 112.29 2d49 s THR 51 Ca 0.03 -0.58 -0.22 0.00 -1.21 0.00 0.00 61.69 59.70 2d49 s THR 51 Cb -0.14 -1.03 0.01 0.00 -1.51 0.00 0.00 72.50 69.82 2d49 s THR 51 CO -0.06 -0.32 0.74 -0.83 -2.21 0.00 0.00 174.62 171.94 2d49 s GLY 52 N -2.28 1.68 0.00 6.08 0.00 -1.26 -5.16 107.32 106.38 2d49 s GLY 52 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 43.97 2d49 s GLY 52 CO -0.06 1.68 0.00 -1.26 0.00 0.00 0.00 173.10 173.47