#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 4.88 -0.30 0.00 2.01 -1.26 -5.00 115.64 115.97 2d49 s THR 2 Ca 0.00 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 2d49 s THR 2 Cb 0.00 -3.09 0.19 0.00 0.01 0.00 0.00 72.50 69.60 2d49 s THR 2 CO 0.00 0.61 1.23 0.00 -0.69 0.00 0.00 174.62 175.77 2d49 n ALA 4 N 4.77 0.18 -1.71 0.00 0.00 -1.26 -4.89 120.51 117.59 2d49 n ALA 4 Ca -0.07 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2d49 n ALA 4 Cb 0.55 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 2d49 n ALA 4 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2d49 n THR 5 N -2.99 0.00 -1.54 0.00 5.66 -1.26 -3.13 114.28 111.03 2d49 n THR 5 Ca 0.14 -0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.71 2d49 n THR 5 Cb 0.50 -1.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.33 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 3.93 -0.62 -1.58 1.79 0.00 -1.26 -1.89 120.51 120.88 2d49 n ALA 6 Ca 0.16 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 2d49 n ALA 6 Cb 0.34 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 -0.42 0.91 -3.67 0.00 -0.00 -0.79 -4.68 117.44 108.80 2d49 n TRP 7 Ca 0.11 0.61 -0.25 0.00 -0.00 0.00 0.00 57.50 57.96 2d49 n TRP 7 Cb 0.37 -2.19 -0.17 0.00 -0.00 0.00 0.00 31.31 29.31 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 -0.73 2.29 0.43 5.87 0.01 -1.26 -4.99 113.70 115.32 2d49 s SER 8 Ca 0.62 -0.54 0.30 0.00 1.31 0.00 0.00 55.95 57.64 2d49 s SER 8 Cb -0.61 -0.35 1.51 0.00 0.21 0.00 0.00 66.02 66.77 2d49 s SER 8 CO 0.58 -0.31 1.90 0.77 0.41 0.00 0.00 173.24 176.59 2d49 h SER 9 N 8.36 0.00 -0.69 2.44 4.64 -1.96 -1.43 113.55 124.92 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 0.28 0.00 0.36 -1.20 -0.87 0.00 0.00 176.83 175.41 2d49 n SER 10 N -2.58 3.94 -3.23 4.97 7.64 -1.26 -4.33 113.62 118.77 2d49 n SER 10 Ca -0.01 -3.11 -0.02 0.00 1.01 0.00 0.00 58.87 56.74 2d49 n SER 10 Cb 0.11 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 62.55 2d49 n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d49 s SER 11 N -0.75 -0.69 0.17 6.43 0.01 -0.54 -5.14 113.70 113.20 2d49 s SER 11 Ca 0.44 0.21 -0.32 0.00 1.31 0.00 0.00 55.95 57.60 2d49 s SER 11 Cb 0.36 1.65 -0.10 0.00 0.21 0.00 0.00 66.02 68.14 2d49 s SER 11 CO 0.10 -0.30 1.56 -0.69 0.41 0.00 0.00 173.24 174.32 2d49 s VAL 12 N 2.71 2.62 0.40 3.43 1.01 -1.26 -4.75 120.40 124.55 2d49 s VAL 12 Ca 0.13 0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.63 2d49 s VAL 12 Cb -0.13 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2d49 s VAL 12 CO -0.24 0.04 0.42 -0.31 0.00 0.00 0.00 175.10 175.00 2d49 s TYR 13 N 1.10 2.80 0.09 5.22 2.02 -0.89 -4.95 117.35 122.74 2d49 s TYR 13 Ca 0.70 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 2d49 s TYR 13 Cb -0.44 -2.15 -0.00 0.00 -0.40 0.00 0.00 41.96 38.98 2d49 s TYR 13 CO 0.32 -0.13 0.12 0.25 -1.57 0.00 0.00 175.55 174.53 2d49 n THR 14 N -1.60 0.00 -1.68 -0.71 -2.24 -1.25 -0.38 114.28 106.42 2d49 n THR 14 Ca 0.03 -0.54 -0.49 0.00 -2.27 0.00 0.00 64.05 60.78 2d49 n THR 14 Cb 0.60 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 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 3.17 0.00 3.42 5.15 -1.24 -0.90 115.26 122.68 2d49 n ASN 15 Ca 0.01 1.01 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 2d49 n ASN 15 Cb 0.16 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.07 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 4.12 2.91 3.54 8.20 0.00 -1.22 -4.89 105.19 117.85 2d49 n GLY 16 Ca 0.22 -0.20 -0.51 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.79 3.82 -0.02 0.00 -0.08 -4.75 105.19 104.95 2d49 n GLY 17 Ca 0.00 0.91 -0.33 0.00 0.00 0.00 0.00 46.02 46.60 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 6.21 4.93 0.23 2.61 2.01 -1.26 -1.99 115.64 128.38 2d49 s THR 18 Ca 1.04 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.68 2d49 s THR 18 Cb -0.81 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.42 2d49 s THR 18 CO 0.51 0.33 0.30 1.33 -0.69 0.00 0.00 174.62 176.39 2d49 n VAL 19 N 1.05 0.00 -4.26 3.82 0.24 0.47 -4.13 118.33 115.53 2d49 n VAL 19 Ca -0.12 -1.31 -0.21 0.00 -2.04 0.00 0.00 64.34 60.66 2d49 n VAL 19 Cb 0.53 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 -2.49 2.28 -0.30 -1.34 0.15 -0.79 -0.41 113.70 110.80 2d49 s SER 20 Ca 0.21 -0.74 -0.24 0.00 0.70 0.00 0.00 55.95 55.88 2d49 s SER 20 Cb -0.00 -0.11 0.18 0.00 -1.71 0.00 0.00 66.02 64.38 2d49 s SER 20 CO 0.15 -0.03 1.37 -0.47 1.20 0.00 0.00 173.24 175.45 2d49 s TYR 21 N -1.60 -0.12 -1.94 3.44 5.04 0.48 -1.88 117.35 120.77 2d49 s TYR 21 Ca 0.07 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 2d49 s TYR 21 Cb -0.08 0.42 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 0.09 -1.34 0.00 0.00 175.55 174.28 2d49 n ASN 22 N 1.85 -5.31 0.00 4.32 4.13 -1.26 -0.90 115.26 118.09 2d49 n ASN 22 Ca -0.11 0.38 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 -0.72 0.84 1.44 7.41 0.00 -1.26 -5.02 105.19 107.88 2d49 n GLY 23 Ca -0.20 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 -2.02 1.42 -5.09 1.61 3.00 -0.08 -0.42 116.66 115.08 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 0.32 -0.17 0.00 0.00 0.00 0.00 32.46 32.61 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 -2.14 2.83 -0.10 0.55 0.01 -0.76 -0.39 114.94 114.95 2d49 s ASN 25 Ca 0.03 -0.51 -0.00 0.00 -0.71 0.00 0.00 52.86 51.67 2d49 s ASN 25 Cb -0.00 -1.29 -0.03 0.00 0.41 0.00 0.00 41.25 40.34 2d49 s ASN 25 CO 0.02 0.13 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.35 2d49 s TYR 26 N 0.41 2.91 -0.17 2.20 2.02 0.46 -0.08 117.35 125.09 2d49 s TYR 26 Ca -0.18 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2d49 s TYR 26 Cb -0.18 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 2d49 s TYR 26 CO 0.08 0.14 -0.19 0.99 -1.57 0.00 0.00 175.55 175.00 2d49 s THR 27 N -0.33 2.24 0.96 -0.71 2.01 0.50 -0.39 115.64 119.91 2d49 s THR 27 Ca 0.04 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 61.03 2d49 s THR 27 Cb -0.13 -1.94 0.17 0.00 0.01 0.00 0.00 72.50 70.61 2d49 s THR 27 CO 0.02 0.53 1.12 0.00 -0.69 0.00 0.00 174.62 175.60 2d49 s ALA 28 N 1.14 1.37 -0.02 7.40 0.00 -0.84 -2.42 121.76 128.39 2d49 s ALA 28 Ca 0.01 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.55 2d49 s ALA 28 Cb -0.14 -3.06 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2d49 s ALA 28 CO -0.08 -2.57 0.08 1.63 0.00 0.00 0.00 175.76 174.82 2d49 n LYS 29 N -3.97 1.08 -2.88 0.00 4.76 -1.13 -3.40 118.16 112.61 2d49 n LYS 29 Ca 0.06 -0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.44 2d49 n LYS 29 Cb 0.58 -1.12 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 -1.83 -1.16 -1.64 2.13 2.14 -1.26 -3.96 117.44 111.87 2d49 n TRP 30 Ca -0.03 -0.82 -0.50 0.00 2.07 0.00 0.00 57.50 58.22 2d49 n TRP 30 Cb 0.29 0.40 -0.05 0.00 -0.81 0.00 0.00 31.31 31.14 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 -0.42 1.91 -3.72 -2.67 -0.00 -1.26 -3.65 117.44 107.62 2d49 n TRP 31 Ca -0.02 0.44 -0.13 0.00 -0.00 0.00 0.00 57.50 57.79 2d49 n TRP 31 Cb 0.35 -2.45 -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 1.03 -0.00 0.51 5.87 -1.32 0.49 -4.93 115.64 117.28 2d49 s THR 32 Ca 0.83 0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 61.29 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 0.00 0.70 1.67 -2.21 0.00 0.00 174.62 175.23 2d49 n GLN 33 N 2.97 -0.11 -1.48 7.08 0.00 -1.26 -2.10 117.38 122.48 2d49 n GLN 33 Ca -0.14 -1.64 -0.44 0.00 -0.00 0.00 0.00 57.00 54.77 2d49 n GLN 33 Cb 0.57 -0.55 -0.09 0.00 0.00 0.00 0.00 30.24 30.17 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2d49 n ASN 34 N -3.10 1.51 -3.81 1.69 0.23 -1.26 -4.88 115.26 105.64 2d49 n ASN 34 Ca 0.11 0.11 -0.12 0.00 -0.53 0.00 0.00 54.58 54.14 2d49 n ASN 34 Cb 0.38 -1.22 -0.12 0.00 -2.08 0.00 0.00 39.78 36.75 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 7.61 0.30 -0.18 -3.83 0.41 -1.26 -5.06 118.70 116.69 2d49 s GLU 35 Ca 1.15 0.19 -0.29 0.00 -0.41 0.00 0.00 54.97 55.62 2d49 s GLU 35 Cb -0.85 0.14 -0.05 0.00 -1.78 0.00 0.00 34.13 31.59 2d49 s GLU 35 CO 0.44 -0.05 2.05 0.50 -0.49 0.00 0.00 175.26 177.71 2d49 s ARG 36 N -0.13 3.43 0.45 1.61 3.52 -1.26 -4.95 118.95 121.63 2d49 s ARG 36 Ca -0.02 2.03 -0.23 0.00 -0.13 0.00 0.00 55.73 57.38 2d49 s ARG 36 Cb -0.02 -4.27 -0.08 0.00 -1.56 0.00 0.00 34.95 29.02 2d49 s ARG 36 CO 0.01 -1.75 1.17 -1.25 -0.81 0.00 0.00 175.30 172.66 2d49 s PRO 37 N 5.69 3.80 0.00 5.12 0.04 -1.26 -3.34 135.00 145.05 2d49 s PRO 37 Ca 0.92 1.79 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 31.76 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 2.68 0.13 0.56 0.00 -1.23 -4.75 105.19 103.06 2d49 n GLY 38 Ca 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.44 -3.85 2.61 2.02 -1.83 -3.46 112.91 108.83 2d49 h THR 39 Ca 0.00 -1.71 -0.68 0.00 0.77 0.00 0.00 66.41 64.79 2d49 h THR 39 Cb 0.00 2.05 -0.20 0.00 -1.74 0.00 0.00 68.15 68.25 2d49 h THR 39 CO 0.00 0.25 -0.80 -0.94 0.37 0.00 0.00 175.52 174.40 2d49 s SER 40 N -5.99 3.90 0.60 4.18 1.04 -1.24 -5.00 113.70 111.19 2d49 s SER 40 Ca 0.01 -0.45 0.30 0.00 0.48 0.00 0.00 55.95 56.28 2d49 s SER 40 Cb 0.08 -0.62 1.63 0.00 0.10 0.00 0.00 66.02 67.20 2d49 s SER 40 CO 0.76 0.23 2.02 0.44 0.98 0.00 0.00 173.24 177.67 2d49 h ASP 41 N 4.22 0.00 -0.46 7.02 3.32 -1.95 -2.07 116.42 126.49 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 0.48 0.00 -0.13 0.58 -1.72 0.00 0.00 179.24 178.45 2d49 h VAL 42 N 0.00 0.52 -3.31 -1.35 2.07 -1.95 -3.39 116.25 108.83 2d49 h VAL 42 Ca 0.11 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 67.01 2d49 h VAL 42 Cb 0.71 0.52 -0.16 0.00 -1.52 0.00 0.00 31.29 30.84 2d49 h VAL 42 CO -0.00 0.00 -0.57 0.26 0.02 0.00 0.00 177.57 177.28 2d49 s TRP 43 N -6.21 3.23 -0.02 1.57 0.52 -0.78 -2.84 118.94 114.41 2d49 s TRP 43 Ca -0.14 0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.05 2d49 s TRP 43 Cb 0.16 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.39 2d49 s TRP 43 CO 0.71 0.12 -0.12 0.00 0.02 0.00 0.00 176.95 177.69 2d49 s ALA 44 N 0.44 1.03 -0.07 0.98 0.00 -1.02 -3.54 121.76 119.59 2d49 s ALA 44 Ca 0.03 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 2d49 s ALA 44 Cb -0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 23.12 22.61 2d49 s ALA 44 CO 0.01 0.22 2.06 -3.47 0.00 0.00 0.00 175.76 174.58 2d49 n ASP 45 N 2.97 3.75 -0.87 0.00 -0.08 -1.26 -0.37 116.55 120.69 2d49 n ASP 45 Ca -0.16 0.66 0.09 0.00 -1.51 0.00 0.00 54.79 53.86 2d49 n ASP 45 Cb 0.55 -1.52 0.26 0.00 2.34 0.00 0.00 41.12 42.75 2d49 n ASP 45 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2d49 n LYS 46 N 7.91 2.85 -1.39 -0.67 4.81 0.88 -4.89 118.16 127.66 2d49 n LYS 46 Ca 0.24 -2.84 0.00 0.00 -0.87 0.00 0.00 58.31 54.84 2d49 n LYS 46 Cb 0.41 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.62 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 -0.55 0.38 3.51 3.14 0.00 -1.23 -4.95 105.19 105.49 2d49 n GLY 47 Ca 0.21 -1.63 -0.25 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 -1.82 121.76 124.95 2d49 s ALA 48 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 51.96 50.16 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 0.00 175.76 176.08 2d49 s GLY 50 N 0.32 1.68 0.23 0.00 0.00 -1.06 -4.69 107.32 103.80 2d49 s GLY 50 Ca -0.01 -1.21 -0.20 0.00 0.00 0.00 0.00 44.72 43.30 2d49 s GLY 50 CO 0.02 0.50 0.62 -1.08 0.00 0.00 0.00 173.10 173.16 2d49 s THR 51 N 1.52 0.01 -0.29 0.90 -1.32 -1.26 -4.01 115.64 111.18 2d49 s THR 51 Ca 0.05 -0.77 -0.30 0.00 -1.21 0.00 0.00 61.69 59.47 2d49 s THR 51 Cb -0.15 -1.70 0.19 0.00 -1.51 0.00 0.00 72.50 69.34 2d49 s THR 51 CO -0.00 -0.03 1.38 -0.83 -2.21 0.00 0.00 174.62 172.92 2d49 s GLY 52 N -2.88 0.09 0.00 6.08 0.00 -1.26 -5.09 107.32 104.26 2d49 s GLY 52 Ca 0.09 2.83 0.00 0.00 0.00 0.00 0.00 44.72 47.65 2d49 s GLY 52 CO 0.00 1.09 0.00 -1.26 0.00 0.00 0.00 173.10 172.94