#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 1.36 -0.30 0.00 -4.23 -1.26 -5.10 115.64 106.12 2d49 s THR 2 Ca 0.00 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.21 2d49 s THR 2 Cb 0.00 -1.19 0.20 0.00 1.34 0.00 0.00 72.50 72.85 2d49 s THR 2 CO 0.00 0.14 1.43 0.00 -0.54 0.00 0.00 174.62 175.65 2d49 s ALA 4 N -0.52 3.76 0.09 0.00 0.00 -1.26 -5.03 121.76 118.81 2d49 s ALA 4 Ca 0.09 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 2d49 s ALA 4 Cb -0.03 -2.09 -0.11 0.00 0.00 0.00 0.00 23.12 20.89 2d49 s ALA 4 CO -0.12 0.36 1.86 -2.37 0.00 0.00 0.00 175.76 175.48 2d49 n THR 5 N -0.79 0.45 -1.55 0.00 5.66 -1.26 -3.40 114.28 113.39 2d49 n THR 5 Ca -0.04 -0.08 -0.43 0.00 -3.05 0.00 0.00 64.05 60.45 2d49 n THR 5 Cb 0.54 -2.11 -0.00 0.00 -1.55 0.00 0.00 70.33 67.20 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 5.99 -0.55 -1.54 1.79 0.00 -1.26 -2.03 120.51 122.91 2d49 n ALA 6 Ca 0.19 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 2d49 n ALA 6 Cb 0.37 -1.96 0.02 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.26 0.26 -3.92 0.00 -0.00 -0.94 -4.71 117.44 107.87 2d49 n TRP 7 Ca 0.10 0.52 -0.16 0.00 -0.00 0.00 0.00 57.50 57.96 2d49 n TRP 7 Cb 0.35 -2.09 -0.16 0.00 -0.00 0.00 0.00 31.31 29.42 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 -0.98 0.36 0.34 5.87 0.01 -1.26 -5.02 113.70 113.01 2d49 s SER 8 Ca 0.67 -0.02 0.18 0.00 1.31 0.00 0.00 55.95 58.09 2d49 s SER 8 Cb -0.52 -0.18 0.37 0.00 0.21 0.00 0.00 66.02 65.91 2d49 s SER 8 CO 0.55 -0.08 1.59 0.28 0.41 0.00 0.00 173.24 175.98 2d49 h SER 9 N 7.09 0.00 -0.70 2.44 0.02 -1.97 -3.11 113.55 117.33 2d49 h SER 9 Ca -0.41 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.25 2d49 h SER 9 Cb 1.14 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.51 2d49 h SER 9 CO 0.48 0.39 0.37 -1.20 -1.14 0.00 0.00 176.83 175.73 2d49 n SER 10 N -3.30 3.97 -3.34 3.07 7.64 -1.26 -4.22 113.62 116.17 2d49 n SER 10 Ca 0.01 -3.13 -0.12 0.00 1.01 0.00 0.00 58.87 56.64 2d49 n SER 10 Cb 0.62 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 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 0.94 0.22 6.43 0.15 -1.18 -5.13 113.70 114.35 2d49 s SER 11 Ca 0.45 -0.56 -0.31 0.00 0.70 0.00 0.00 55.95 56.23 2d49 s SER 11 Cb 0.37 0.85 -0.11 0.00 -1.71 0.00 0.00 66.02 65.42 2d49 s SER 11 CO 0.10 -0.37 1.57 -0.69 1.20 0.00 0.00 173.24 175.06 2d49 s VAL 12 N 2.45 2.41 -0.01 4.45 1.01 -1.26 -4.70 120.40 124.74 2d49 s VAL 12 Ca 0.10 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2d49 s VAL 12 Cb -0.13 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2d49 s VAL 12 CO -0.31 0.04 -0.04 -0.31 0.00 0.00 0.00 175.10 174.47 2d49 s TYR 13 N 0.66 2.97 0.10 5.22 2.02 -0.91 -4.95 117.35 122.46 2d49 s TYR 13 Ca 0.67 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 2d49 s TYR 13 Cb -0.45 -1.65 -0.00 0.00 -0.40 0.00 0.00 41.96 39.46 2d49 s TYR 13 CO 0.37 0.40 0.00 0.25 -1.57 0.00 0.00 175.55 175.01 2d49 n THR 14 N 1.59 0.00 -1.63 -0.71 -2.24 -1.26 -0.29 114.28 109.74 2d49 n THR 14 Ca -0.16 -0.48 -0.49 0.00 -2.27 0.00 0.00 64.05 60.66 2d49 n THR 14 Cb 0.53 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.07 2.40 0.00 3.42 0.23 -1.24 -0.40 115.26 118.60 2d49 n ASN 15 Ca -0.04 1.10 0.00 0.00 -0.53 0.00 0.00 54.58 55.10 2d49 n ASN 15 Cb 0.13 -1.31 0.00 0.00 -2.08 0.00 0.00 39.78 36.52 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 3.05 3.07 3.54 4.83 0.00 -1.10 -4.88 105.19 113.69 2d49 n GLY 16 Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.71 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 0.82 3.85 -0.02 0.00 0.46 -4.74 105.19 103.56 2d49 n GLY 17 Ca 0.00 0.89 -0.37 0.00 0.00 0.00 0.00 46.02 46.54 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 6.76 5.37 0.35 2.61 2.01 -1.26 -0.92 115.64 130.55 2d49 s THR 18 Ca 1.04 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 63.16 2d49 s THR 18 Cb -0.72 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 68.46 2d49 s THR 18 CO 0.47 0.60 0.51 0.68 -0.69 0.00 0.00 174.62 176.20 2d49 s VAL 19 N -0.90 0.00 0.13 3.82 -7.23 0.40 -4.19 120.40 112.43 2d49 s VAL 19 Ca 0.14 -1.54 0.11 0.00 -1.81 0.00 0.00 61.98 58.88 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 0.03 0.00 -0.26 -0.55 -0.31 0.00 0.00 175.10 174.01 2d49 s SER 20 N -3.22 3.22 -0.30 4.85 0.15 -0.86 -0.40 113.70 117.14 2d49 s SER 20 Ca 0.29 -0.75 -0.23 0.00 0.70 0.00 0.00 55.95 55.96 2d49 s SER 20 Cb -0.01 -0.21 0.18 0.00 -1.71 0.00 0.00 66.02 64.27 2d49 s SER 20 CO 0.19 0.16 1.35 -0.47 1.20 0.00 0.00 173.24 175.67 2d49 s TYR 21 N -1.12 -0.13 -1.94 3.44 5.04 0.58 -2.22 117.35 120.99 2d49 s TYR 21 Ca 0.14 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 2d49 s TYR 21 Cb -0.10 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.60 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 2.00 -5.30 0.00 4.32 5.15 -1.26 -1.15 115.26 119.03 2d49 n ASN 22 Ca -0.12 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2d49 n ASN 22 Cb 0.57 -4.44 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 2.36 1.82 8.20 0.00 -1.26 -5.02 105.19 110.58 2d49 n GLY 23 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 0.97 -4.83 1.61 3.00 -0.30 -0.40 116.66 114.70 2d49 n ARG 24 Ca 0.00 -1.55 -0.31 0.00 -0.01 0.00 0.00 57.85 55.98 2d49 n ARG 24 Cb 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 32.46 32.33 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 -2.61 2.92 -0.01 0.55 0.01 -1.05 -0.31 114.94 114.44 2d49 s ASN 25 Ca 0.21 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.83 2d49 s ASN 25 Cb -0.02 -1.34 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 2d49 s ASN 25 CO 0.14 0.10 0.01 -0.31 -1.51 0.00 0.00 177.10 175.52 2d49 s TYR 26 N 0.66 3.11 -0.13 2.20 2.02 0.46 -0.26 117.35 125.41 2d49 s TYR 26 Ca -0.12 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2d49 s TYR 26 Cb -0.16 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 2d49 s TYR 26 CO 0.02 0.47 -0.13 0.95 -1.57 0.00 0.00 175.55 175.29 2d49 s THR 27 N -1.07 1.46 0.98 -0.71 -4.23 0.53 -0.45 115.64 112.14 2d49 s THR 27 Ca 0.19 -0.58 -0.12 0.00 -1.18 0.00 0.00 61.69 60.00 2d49 s THR 27 Cb -0.12 -1.37 0.18 0.00 1.34 0.00 0.00 72.50 72.53 2d49 s THR 27 CO 0.09 0.44 1.09 0.00 -0.54 0.00 0.00 174.62 175.71 2d49 s ALA 28 N 1.37 1.08 -0.01 3.99 0.00 -0.10 -2.46 121.76 125.62 2d49 s ALA 28 Ca 0.01 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.74 2d49 s ALA 28 Cb -0.13 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 2d49 s ALA 28 CO -0.08 -2.74 0.09 1.63 0.00 0.00 0.00 175.76 174.66 2d49 n LYS 29 N -4.12 0.72 -2.80 0.00 4.76 -1.06 -2.72 118.16 112.94 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 0.57 -1.11 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 -1.75 -1.09 -1.65 2.13 2.14 -1.26 -3.90 117.44 112.06 2d49 n TRP 30 Ca -0.02 -0.76 -0.51 0.00 2.07 0.00 0.00 57.50 58.28 2d49 n TRP 30 Cb 0.21 0.37 -0.06 0.00 -0.81 0.00 0.00 31.31 31.03 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 -0.40 1.94 -3.73 -2.67 -0.00 -1.26 -3.73 117.44 107.59 2d49 n TRP 31 Ca -0.02 0.43 -0.12 0.00 -0.00 0.00 0.00 57.50 57.79 2d49 n TRP 31 Cb 0.33 -2.46 -0.10 0.00 -0.00 0.00 0.00 31.31 29.08 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 1.67 -0.01 0.50 5.87 -1.32 0.60 -4.96 115.64 118.00 2d49 s THR 32 Ca 0.87 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 61.34 2d49 s THR 32 Cb -0.86 -0.58 0.10 0.00 -1.51 0.00 0.00 72.50 69.65 2d49 s THR 32 CO 0.49 0.01 0.68 0.00 -2.21 0.00 0.00 174.62 173.59 2d49 n GLN 33 N 3.20 -0.09 -1.48 7.08 1.13 -1.26 -2.15 117.38 123.81 2d49 n GLN 33 Ca -0.16 -1.61 -0.44 0.00 -1.94 0.00 0.00 57.00 52.86 2d49 n GLN 33 Cb 0.57 -0.53 -0.09 0.00 0.11 0.00 0.00 30.24 30.29 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 -3.10 1.49 -3.84 1.08 0.23 -1.26 -4.88 115.26 104.99 2d49 n ASN 34 Ca 0.10 0.08 -0.12 0.00 -0.53 0.00 0.00 54.58 54.11 2d49 n ASN 34 Cb 0.37 -1.22 -0.12 0.00 -2.08 0.00 0.00 39.78 36.73 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 7.74 0.27 -0.18 -3.83 2.02 -1.26 -5.06 118.70 118.40 2d49 s GLU 35 Ca 1.16 0.02 -0.29 0.00 0.02 0.00 0.00 54.97 55.88 2d49 s GLU 35 Cb -0.83 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 33.47 2d49 s GLU 35 CO 0.43 -0.05 2.06 0.50 0.02 0.00 0.00 175.26 178.22 2d49 s ARG 36 N -0.38 3.43 0.43 1.61 3.52 -1.26 -4.95 118.95 121.35 2d49 s ARG 36 Ca -0.05 2.04 -0.24 0.00 -0.13 0.00 0.00 55.73 57.36 2d49 s ARG 36 Cb -0.03 -4.28 -0.08 0.00 -1.56 0.00 0.00 34.95 29.00 2d49 s ARG 36 CO 0.01 -1.76 1.18 -1.25 -0.81 0.00 0.00 175.30 172.66 2d49 s PRO 37 N 5.72 3.89 0.00 5.12 0.04 -1.26 -3.26 135.00 145.24 2d49 s PRO 37 Ca 0.93 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2d49 s PRO 37 Cb -0.33 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2d49 s PRO 37 CO 0.36 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2d49 n GLY 38 N 0.54 2.94 0.08 0.56 0.00 -1.25 -4.76 105.19 103.29 2d49 n GLY 38 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2d49 n GLY 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2d49 n THR 39 N -0.38 0.97 -4.04 2.61 -1.04 -1.20 -4.92 114.28 106.27 2d49 n THR 39 Ca 0.00 -0.69 -0.32 0.00 -2.04 0.00 0.00 64.05 61.01 2d49 n THR 39 Cb 0.00 -0.50 -0.06 0.00 -1.82 0.00 0.00 70.33 67.94 2d49 n THR 39 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2d49 s SER 40 N -5.43 5.77 0.46 8.00 1.04 -1.23 -4.98 113.70 117.33 2d49 s SER 40 Ca -0.06 0.12 0.32 0.00 0.48 0.00 0.00 55.95 56.81 2d49 s SER 40 Cb 0.09 -1.65 1.60 0.00 0.10 0.00 0.00 66.02 66.16 2d49 s SER 40 CO 0.84 0.22 1.96 -0.78 0.98 0.00 0.00 173.24 176.45 2d49 h ASP 41 N 3.63 0.00 -0.45 7.02 1.82 -1.95 -2.20 116.42 124.29 2d49 h ASP 41 Ca -0.48 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.07 2d49 h ASP 41 Cb 1.17 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 2d49 h ASP 41 CO 0.66 0.00 -0.06 1.62 -1.61 0.00 0.00 179.24 179.85 2d49 h VAL 42 N 0.00 1.26 -3.46 2.25 3.04 -1.96 -3.42 116.25 113.96 2d49 h VAL 42 Ca 0.00 -1.15 -0.63 0.00 -1.01 0.00 0.00 66.70 63.90 2d49 h VAL 42 Cb 0.14 0.93 -0.19 0.00 -2.01 0.00 0.00 31.29 30.16 2d49 h VAL 42 CO 0.00 0.41 -0.60 0.26 -1.01 0.00 0.00 177.57 176.63 2d49 s TRP 43 N -4.90 3.16 -0.06 3.17 0.52 -0.83 -2.57 118.94 117.43 2d49 s TRP 43 Ca -0.10 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 55.88 2d49 s TRP 43 Cb 0.14 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.33 2d49 s TRP 43 CO 0.84 -0.08 -0.09 0.00 0.02 0.00 0.00 176.95 177.63 2d49 s ALA 44 N 0.92 1.07 0.13 0.98 0.00 -1.03 -3.83 121.76 120.01 2d49 s ALA 44 Ca 0.04 -0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 2d49 s ALA 44 Cb -0.14 -0.55 -0.10 0.00 0.00 0.00 0.00 23.12 22.33 2d49 s ALA 44 CO 0.03 0.02 1.74 0.16 0.00 0.00 0.00 175.76 177.71 2d49 s ASP 45 N 0.84 6.48 -0.17 0.00 -4.77 -1.26 -0.35 116.67 117.45 2d49 s ASP 45 Ca -0.12 2.70 0.17 0.00 -3.30 0.00 0.00 52.55 52.00 2d49 s ASP 45 Cb -0.15 -2.58 0.50 0.00 -1.09 0.00 0.00 42.92 39.60 2d49 s ASP 45 CO 0.01 -0.95 1.39 2.29 0.70 0.00 0.00 175.17 178.62 2d49 n LYS 46 N 5.13 2.80 -0.74 2.11 2.85 0.64 -4.89 118.16 126.06 2d49 n LYS 46 Ca 0.16 -2.78 0.00 0.00 -1.05 0.00 0.00 58.31 54.64 2d49 n LYS 46 Cb 0.38 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 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 -0.54 0.47 3.51 2.58 0.00 -1.24 -4.98 105.19 104.99 2d49 n GLY 47 Ca 0.20 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.52 121.76 124.26 2d49 s ALA 48 Ca 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 51.96 50.14 2d49 s ALA 48 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2d49 s ALA 48 CO 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 175.76 176.06 2d49 n GLY 50 N 3.49 0.35 3.10 0.00 0.00 -0.82 -4.73 105.19 106.58 2d49 n GLY 50 Ca -0.17 0.88 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 2d49 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d49 s THR 51 N 8.78 -0.23 -0.21 2.61 -4.23 -1.26 -4.92 115.64 116.18 2d49 s THR 51 Ca 1.10 0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 61.68 2d49 s THR 51 Cb -0.70 -0.48 0.07 0.00 1.34 0.00 0.00 72.50 72.74 2d49 s THR 51 CO 0.42 0.08 0.50 -0.83 -0.54 0.00 0.00 174.62 174.25 2d49 s GLY 52 N 1.82 -0.44 0.00 3.99 0.00 -1.26 -5.18 107.32 106.26 2d49 s GLY 52 Ca -0.05 1.82 0.00 0.00 0.00 0.00 0.00 44.72 46.49 2d49 s GLY 52 CO -0.10 2.07 0.00 -1.14 0.00 0.00 0.00 173.10 173.93