#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 4.53 -0.29 0.00 2.01 -1.26 -5.06 115.64 115.57 2d49 s THR 2 Ca 0.00 -0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.52 2d49 s THR 2 Cb 0.00 -2.94 0.20 0.00 0.01 0.00 0.00 72.50 69.77 2d49 s THR 2 CO 0.00 0.58 1.40 0.00 -0.69 0.00 0.00 174.62 175.91 2d49 s ALA 4 N -0.76 3.87 0.06 0.00 0.00 -1.26 -5.04 121.76 118.63 2d49 s ALA 4 Ca 0.09 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 2d49 s ALA 4 Cb -0.02 -1.67 -0.10 0.00 0.00 0.00 0.00 23.12 21.33 2d49 s ALA 4 CO -0.10 0.56 1.91 2.41 0.00 0.00 0.00 175.76 180.53 2d49 n THR 5 N -0.42 0.59 -1.57 0.00 -1.04 -1.26 -3.25 114.28 107.33 2d49 n THR 5 Ca -0.07 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.41 2d49 n THR 5 Cb 0.54 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 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 6.68 -0.32 -1.58 2.41 0.00 -1.26 -2.02 120.51 124.43 2d49 n ALA 6 Ca 0.19 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 2d49 n ALA 6 Cb 0.39 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.30 0.97 -3.77 0.00 -0.00 -0.94 -4.70 117.44 108.69 2d49 n TRP 7 Ca 0.10 0.62 -0.26 0.00 -0.00 0.00 0.00 57.50 57.95 2d49 n TRP 7 Cb 0.36 -2.20 -0.17 0.00 -0.00 0.00 0.00 31.31 29.30 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 -0.71 2.50 0.41 5.87 0.01 -1.26 -4.99 113.70 115.53 2d49 s SER 8 Ca 0.62 -0.58 0.29 0.00 1.31 0.00 0.00 55.95 57.59 2d49 s SER 8 Cb -0.61 -0.59 1.43 0.00 0.21 0.00 0.00 66.02 66.46 2d49 s SER 8 CO 0.58 -0.25 1.87 0.28 0.41 0.00 0.00 173.24 176.13 2d49 h SER 9 N 8.25 0.00 -0.70 2.44 0.02 -1.96 -1.52 113.55 120.08 2d49 h SER 9 Ca -0.18 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.47 2d49 h SER 9 Cb 1.12 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.49 2d49 h SER 9 CO 0.32 0.00 0.37 -1.20 -1.14 0.00 0.00 176.83 175.19 2d49 n SER 10 N -2.54 3.95 -3.66 3.07 7.64 -1.26 -4.52 113.62 116.30 2d49 n SER 10 Ca -0.01 -3.13 -0.07 0.00 1.01 0.00 0.00 58.87 56.68 2d49 n SER 10 Cb 0.12 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 62.51 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 -0.77 -0.82 0.01 6.43 0.15 -0.57 -5.15 113.70 112.98 2d49 s SER 11 Ca 0.45 1.34 -0.25 0.00 0.70 0.00 0.00 55.95 58.19 2d49 s SER 11 Cb 0.37 1.47 -0.05 0.00 -1.71 0.00 0.00 66.02 66.10 2d49 s SER 11 CO 0.10 -0.22 0.77 0.54 1.20 0.00 0.00 173.24 175.63 2d49 s VAL 12 N 2.00 4.83 0.41 4.45 0.11 -1.26 -4.68 120.40 126.26 2d49 s VAL 12 Ca -0.08 1.63 0.08 0.00 -2.93 0.00 0.00 61.98 60.68 2d49 s VAL 12 Cb -0.08 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.63 2d49 s VAL 12 CO -0.17 0.31 0.37 -0.31 -3.33 0.00 0.00 175.10 171.96 2d49 s TYR 13 N 0.30 2.73 0.09 1.54 2.02 -0.83 -4.97 117.35 118.23 2d49 s TYR 13 Ca 0.40 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 2d49 s TYR 13 Cb -0.20 -2.13 -0.00 0.00 -0.40 0.00 0.00 41.96 39.24 2d49 s TYR 13 CO 0.22 -0.08 0.11 0.25 -1.57 0.00 0.00 175.55 174.48 2d49 n THR 14 N -1.53 0.00 -1.64 -0.71 -2.24 -1.26 -0.40 114.28 106.51 2d49 n THR 14 Ca 0.03 -0.49 -0.49 0.00 -2.27 0.00 0.00 64.05 60.83 2d49 n THR 14 Cb 0.61 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.16 2.46 0.00 3.42 5.15 -1.23 -0.40 115.26 122.51 2d49 n ASN 15 Ca 0.01 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.08 2d49 n ASN 15 Cb 0.15 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 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 3.12 3.14 3.63 8.20 0.00 -1.23 -4.89 105.19 117.15 2d49 n GLY 16 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 1.46 3.79 -0.02 0.00 0.47 -4.82 105.19 104.06 2d49 n GLY 17 Ca 0.00 0.80 -0.33 0.00 0.00 0.00 0.00 46.02 46.49 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 6.39 4.77 0.36 2.61 2.01 -1.26 -1.74 115.64 128.78 2d49 s THR 18 Ca 0.95 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 62.52 2d49 s THR 18 Cb -0.38 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 68.96 2d49 s THR 18 CO 0.39 0.36 0.54 0.68 -0.69 0.00 0.00 174.62 175.90 2d49 s VAL 19 N -1.19 0.00 0.14 3.82 -7.23 0.04 -4.27 120.40 111.70 2d49 s VAL 19 Ca 0.23 -1.48 0.10 0.00 -1.81 0.00 0.00 61.98 59.02 2d49 s VAL 19 Cb -0.12 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 2d49 s VAL 19 CO 0.14 0.00 -0.25 -0.55 -0.31 0.00 0.00 175.10 174.13 2d49 s SER 20 N -3.22 3.13 -0.30 4.85 0.15 -0.85 -0.43 113.70 117.03 2d49 s SER 20 Ca 0.28 -0.76 -0.23 0.00 0.70 0.00 0.00 55.95 55.94 2d49 s SER 20 Cb -0.01 -0.20 0.18 0.00 -1.71 0.00 0.00 66.02 64.28 2d49 s SER 20 CO 0.19 0.13 1.35 -0.47 1.20 0.00 0.00 173.24 175.65 2d49 s TYR 21 N -1.23 -0.12 -1.94 3.44 5.04 0.62 -2.22 117.35 120.93 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 -0.09 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.61 2d49 s TYR 21 CO 0.06 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.50 2d49 n ASN 22 N 1.98 -5.29 0.00 4.32 5.15 -1.26 -1.11 115.26 119.04 2d49 n ASN 22 Ca -0.12 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2d49 n ASN 22 Cb 0.57 -4.43 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 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 -0.71 2.13 1.46 8.20 0.00 -1.26 -5.02 105.19 109.99 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 1.06 -4.83 1.61 3.00 -0.27 -0.40 116.66 114.83 2d49 n ARG 24 Ca 0.00 -1.27 -0.30 0.00 -0.01 0.00 0.00 57.85 56.27 2d49 n ARG 24 Cb 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 32.46 32.35 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 -2.28 2.79 -0.07 0.55 0.01 -1.05 -0.28 114.94 114.62 2d49 s ASN 25 Ca 0.16 -0.51 -0.02 0.00 -0.71 0.00 0.00 52.86 51.78 2d49 s ASN 25 Cb -0.01 -1.28 -0.04 0.00 0.41 0.00 0.00 41.25 40.34 2d49 s ASN 25 CO 0.10 0.09 0.05 -0.31 -1.51 0.00 0.00 177.10 175.52 2d49 s TYR 26 N 0.64 3.27 -0.15 2.20 1.51 0.43 -0.15 117.35 125.10 2d49 s TYR 26 Ca -0.13 0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 2d49 s TYR 26 Cb -0.16 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 2d49 s TYR 26 CO 0.03 0.54 -0.15 0.99 -1.11 0.00 0.00 175.55 175.85 2d49 s THR 27 N -0.99 1.65 0.99 -0.71 2.01 0.43 -0.78 115.64 118.23 2d49 s THR 27 Ca 0.16 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 2d49 s THR 27 Cb -0.12 -1.53 0.18 0.00 0.01 0.00 0.00 72.50 71.05 2d49 s THR 27 CO 0.06 0.47 1.10 0.00 -0.69 0.00 0.00 174.62 175.56 2d49 s ALA 28 N 1.37 1.08 -0.01 7.40 0.00 -0.71 -2.46 121.76 128.43 2d49 s ALA 28 Ca 0.03 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2d49 s ALA 28 Cb -0.13 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2d49 s ALA 28 CO -0.10 -2.77 0.09 1.63 0.00 0.00 0.00 175.76 174.62 2d49 n LYS 29 N -4.12 0.58 -2.81 0.00 4.76 -1.14 -3.58 118.16 111.85 2d49 n LYS 29 Ca 0.05 -0.04 -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 32.66 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 -1.74 -0.99 -1.63 2.13 2.14 -1.26 -4.20 117.44 111.89 2d49 n TRP 30 Ca -0.02 -0.71 -0.50 0.00 2.07 0.00 0.00 57.50 58.34 2d49 n TRP 30 Cb 0.20 0.34 -0.05 0.00 -0.81 0.00 0.00 31.31 30.99 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 -0.41 1.82 -3.72 -2.67 -0.00 -1.26 -3.47 117.44 107.73 2d49 n TRP 31 Ca -0.01 0.49 -0.13 0.00 -0.00 0.00 0.00 57.50 57.85 2d49 n TRP 31 Cb 0.33 -2.42 -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 0.99 -0.00 0.55 5.87 -1.32 0.46 -4.94 115.64 117.25 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 69.64 2d49 s THR 32 CO 0.46 0.01 0.75 0.00 -2.21 0.00 0.00 174.62 173.62 2d49 n GLN 33 N 3.14 -0.15 -1.49 7.08 1.13 -1.26 -1.97 117.38 123.85 2d49 n GLN 33 Ca -0.15 -1.75 -0.44 0.00 -1.94 0.00 0.00 57.00 52.72 2d49 n GLN 33 Cb 0.57 -0.59 -0.08 0.00 0.11 0.00 0.00 30.24 30.25 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 1.58 -3.81 1.08 6.94 -1.26 -4.86 115.26 111.82 2d49 n ASN 34 Ca 0.11 0.07 -0.12 0.00 -0.02 0.00 0.00 54.58 54.62 2d49 n ASN 34 Cb 0.40 -1.25 -0.11 0.00 -2.36 0.00 0.00 39.78 36.47 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 7.69 0.36 -0.18 -3.83 0.41 -1.26 -5.07 118.70 116.81 2d49 s GLU 35 Ca 1.14 0.10 -0.29 0.00 -0.41 0.00 0.00 54.97 55.52 2d49 s GLU 35 Cb -0.79 0.16 -0.05 0.00 -1.78 0.00 0.00 34.13 31.67 2d49 s GLU 35 CO 0.43 -0.07 2.04 1.03 -0.49 0.00 0.00 175.26 178.20 2d49 s ARG 36 N -0.37 3.45 0.45 1.61 0.52 -1.26 -4.95 118.95 118.41 2d49 s ARG 36 Ca -0.05 2.03 -0.23 0.00 -0.52 0.00 0.00 55.73 56.96 2d49 s ARG 36 Cb -0.03 -4.27 -0.07 0.00 0.52 0.00 0.00 34.95 31.10 2d49 s ARG 36 CO 0.01 -1.74 1.17 -1.25 0.02 0.00 0.00 175.30 173.51 2d49 s PRO 37 N 5.67 3.79 0.00 3.54 0.04 -1.26 -3.38 135.00 143.40 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 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2d49 s PRO 37 CO 0.36 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.28 2d49 n GLY 38 N 0.47 2.56 0.14 0.56 0.00 -1.23 -4.75 105.19 102.94 2d49 n GLY 38 Ca 0.07 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 0.77 -3.78 2.61 2.02 -1.84 -3.46 112.91 109.23 2d49 h THR 39 Ca 0.00 -2.10 -0.68 0.00 0.77 0.00 0.00 66.41 64.40 2d49 h THR 39 Cb 0.00 2.35 -0.19 0.00 -1.74 0.00 0.00 68.15 68.57 2d49 h THR 39 CO 0.00 0.44 -0.80 -0.55 0.37 0.00 0.00 175.52 174.98 2d49 s SER 40 N -6.37 3.91 0.61 4.18 0.15 -1.25 -5.00 113.70 109.94 2d49 s SER 40 Ca 0.04 -0.50 0.31 0.00 0.70 0.00 0.00 55.95 56.50 2d49 s SER 40 Cb 0.07 -0.59 1.76 0.00 -1.71 0.00 0.00 66.02 65.55 2d49 s SER 40 CO 0.75 0.20 2.10 0.44 1.20 0.00 0.00 173.24 177.93 2d49 h ASP 41 N 3.97 0.00 -0.57 5.45 3.32 -1.95 -2.17 116.42 124.47 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 0.47 0.00 0.04 0.58 -1.72 0.00 0.00 179.24 178.61 2d49 h VAL 42 N 0.00 0.57 -3.40 -1.35 2.07 -1.96 -3.39 116.25 108.80 2d49 h VAL 42 Ca 0.06 -0.05 -0.63 0.00 0.82 0.00 0.00 66.70 66.90 2d49 h VAL 42 Cb 0.47 0.40 -0.19 0.00 -1.52 0.00 0.00 31.29 30.45 2d49 h VAL 42 CO -0.00 0.03 -0.61 0.26 0.02 0.00 0.00 177.57 177.27 2d49 s TRP 43 N -6.14 3.14 -0.05 1.57 0.52 -0.82 -2.88 118.94 114.28 2d49 s TRP 43 Ca -0.13 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 55.84 2d49 s TRP 43 Cb 0.18 -2.10 0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2d49 s TRP 43 CO 0.73 -0.05 -0.10 0.00 0.02 0.00 0.00 176.95 177.56 2d49 s ALA 44 N 0.74 1.08 0.05 0.98 0.00 -1.03 -3.50 121.76 120.08 2d49 s ALA 44 Ca 0.02 -0.32 -0.32 0.00 0.00 0.00 0.00 51.96 51.34 2d49 s ALA 44 Cb -0.14 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 22.37 2d49 s ALA 44 CO 0.02 0.09 1.85 -0.40 0.00 0.00 0.00 175.76 177.32 2d49 n ASP 45 N 3.79 3.78 -0.89 0.00 5.75 -1.26 -0.43 116.55 127.29 2d49 n ASP 45 Ca -0.23 0.98 0.09 0.00 -0.01 0.00 0.00 54.79 55.61 2d49 n ASP 45 Cb 0.52 -1.48 0.26 0.00 -1.03 0.00 0.00 41.12 39.39 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 6.06 2.91 -1.21 0.11 3.00 0.78 -4.87 118.16 124.93 2d49 n LYS 46 Ca 0.20 -2.85 0.00 0.00 -0.00 0.00 0.00 58.31 55.66 2d49 n LYS 46 Cb 0.35 -1.85 0.00 0.00 0.00 0.00 0.00 35.03 33.53 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 -0.52 0.47 3.51 3.14 0.00 -1.24 -4.97 105.19 105.58 2d49 n GLY 47 Ca 0.21 -1.60 -0.25 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 2.82 -0.16 4.61 0.00 -1.26 -2.51 121.76 124.25 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 22.65 2d49 s ALA 48 CO 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 175.76 176.08 2d49 n GLY 50 N 3.50 3.96 3.72 0.00 0.00 -0.77 -4.73 105.19 110.87 2d49 n GLY 50 Ca -0.17 -2.40 -0.42 0.00 0.00 0.00 0.00 46.02 43.02 2d49 n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2d49 n THR 51 N 3.29 0.33 -4.14 2.61 -2.24 -1.26 -4.48 114.28 108.38 2d49 n THR 51 Ca 0.28 -0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.65 2d49 n THR 51 Cb 0.40 -1.92 -0.07 0.00 -2.10 0.00 0.00 70.33 66.63 2d49 n THR 51 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2d49 s GLY 52 N 0.92 1.98 0.00 3.38 0.00 -1.26 -5.12 107.32 107.22 2d49 s GLY 52 Ca 0.72 -0.90 0.28 0.00 0.00 0.00 0.00 44.72 44.82 2d49 s GLY 52 CO 0.38 -0.77 1.73 1.44 0.00 0.00 0.00 173.10 175.87