#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 4.03 -0.30 0.00 -1.32 -1.26 -5.01 115.64 111.78 2d49 s THR 2 Ca 0.00 -0.35 -0.18 0.00 -1.21 0.00 0.00 61.69 59.95 2d49 s THR 2 Cb 0.00 -2.69 0.19 0.00 -1.51 0.00 0.00 72.50 68.49 2d49 s THR 2 CO 0.00 0.59 1.22 0.00 -2.21 0.00 0.00 174.62 174.22 2d49 s ALA 4 N 2.08 2.16 0.24 0.00 0.00 -1.26 -4.92 121.76 120.06 2d49 s ALA 4 Ca -0.01 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 2d49 s ALA 4 Cb -0.02 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 2d49 s ALA 4 CO -0.16 -1.79 1.66 -2.37 0.00 0.00 0.00 175.76 173.10 2d49 n THR 5 N -2.74 0.43 -1.53 0.00 5.66 -1.26 -2.97 114.28 111.87 2d49 n THR 5 Ca 0.13 -0.11 -0.42 0.00 -3.05 0.00 0.00 64.05 60.60 2d49 n THR 5 Cb 0.51 -1.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.35 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 3.17 -0.80 -1.59 1.79 0.00 -1.26 -1.95 120.51 119.86 2d49 n ALA 6 Ca 0.13 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2d49 n ALA 6 Cb 0.35 -1.91 -0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 -0.57 1.16 -3.68 0.00 -0.00 -0.92 -4.68 117.44 108.75 2d49 n TRP 7 Ca 0.11 0.64 -0.24 0.00 -0.00 0.00 0.00 57.50 58.01 2d49 n TRP 7 Cb 0.38 -2.23 -0.17 0.00 -0.00 0.00 0.00 31.31 29.28 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 -0.63 2.04 0.39 5.87 0.15 -1.26 -4.99 113.70 115.26 2d49 s SER 8 Ca 0.60 -0.39 0.28 0.00 0.70 0.00 0.00 55.95 57.13 2d49 s SER 8 Cb -0.64 -0.33 1.36 0.00 -1.71 0.00 0.00 66.02 64.71 2d49 s SER 8 CO 0.59 -0.29 1.84 0.77 1.20 0.00 0.00 173.24 177.35 2d49 h SER 9 N 8.37 0.00 -0.69 5.45 4.64 -1.96 -1.64 113.55 127.72 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 0.26 0.00 0.36 -1.54 -0.87 0.00 0.00 176.83 175.04 2d49 n SER 10 N -2.49 3.93 -3.23 4.97 3.41 -1.26 -4.26 113.62 114.70 2d49 n SER 10 Ca -0.00 -3.11 -0.02 0.00 -0.26 0.00 0.00 58.87 55.48 2d49 n SER 10 Cb 0.13 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 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 -0.75 -0.68 0.19 4.04 0.15 -0.62 -5.14 113.70 110.90 2d49 s SER 11 Ca 0.44 0.12 -0.31 0.00 0.70 0.00 0.00 55.95 56.90 2d49 s SER 11 Cb 0.36 1.63 -0.11 0.00 -1.71 0.00 0.00 66.02 66.20 2d49 s SER 11 CO 0.10 -0.31 1.61 0.54 1.20 0.00 0.00 173.24 176.37 2d49 s VAL 12 N 2.70 2.40 -0.11 4.45 0.11 -1.26 -4.75 120.40 123.94 2d49 s VAL 12 Ca 0.12 0.30 -0.02 0.00 -2.93 0.00 0.00 61.98 59.45 2d49 s VAL 12 Cb -0.12 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 2d49 s VAL 12 CO -0.25 0.03 -0.02 -0.31 -3.33 0.00 0.00 175.10 171.21 2d49 s TYR 13 N 0.97 3.07 0.20 1.54 2.02 -0.91 -4.94 117.35 119.29 2d49 s TYR 13 Ca 0.70 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 57.40 2d49 s TYR 13 Cb -0.46 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 2d49 s TYR 13 CO 0.34 0.26 0.10 0.25 -1.57 0.00 0.00 175.55 174.92 2d49 n THR 14 N 2.70 0.00 -1.68 -0.71 -2.24 -1.26 -0.34 114.28 110.75 2d49 n THR 14 Ca -0.18 -0.84 -0.51 0.00 -2.27 0.00 0.00 64.05 60.24 2d49 n THR 14 Cb 0.53 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.64 2.84 0.00 3.42 0.23 -1.25 -0.46 115.26 118.41 2d49 n ASN 15 Ca -0.03 1.04 0.00 0.00 -0.53 0.00 0.00 54.58 55.05 2d49 n ASN 15 Cb 0.24 -1.28 0.00 0.00 -2.08 0.00 0.00 39.78 36.65 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 3.97 3.33 3.68 4.83 0.00 -1.23 -4.91 105.19 114.86 2d49 n GLY 16 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.67 1.19 3.32 -0.02 0.00 0.40 -4.83 105.19 103.57 2d49 n GLY 17 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 46.02 46.35 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 0.82 2.03 0.34 2.61 2.01 -1.26 -1.56 115.64 120.63 2d49 s THR 18 Ca 0.76 -1.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2d49 s THR 18 Cb -0.63 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.15 2d49 s THR 18 CO 0.38 0.32 0.50 1.33 -0.69 0.00 0.00 174.62 176.46 2d49 n VAL 19 N 1.78 0.00 -4.27 3.82 0.24 0.48 -4.20 118.33 116.19 2d49 n VAL 19 Ca -0.17 -1.63 -0.23 0.00 -2.04 0.00 0.00 64.34 60.27 2d49 n VAL 19 Cb 0.52 1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.81 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 -3.07 2.40 -0.30 -1.34 1.04 -0.83 -0.40 113.70 111.20 2d49 s SER 20 Ca 0.27 -0.70 -0.25 0.00 0.48 0.00 0.00 55.95 55.75 2d49 s SER 20 Cb -0.01 -0.12 0.18 0.00 0.10 0.00 0.00 66.02 66.16 2d49 s SER 20 CO 0.19 0.02 1.38 -0.47 0.98 0.00 0.00 173.24 175.35 2d49 s TYR 21 N -1.30 -0.12 -1.93 5.02 5.04 0.48 -2.16 117.35 122.39 2d49 s TYR 21 Ca 0.06 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2d49 s TYR 21 Cb -0.09 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.68 2d49 s TYR 21 CO 0.04 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.48 2d49 n ASN 22 N 1.67 -5.28 0.00 4.32 2.85 -1.26 -0.93 115.26 116.64 2d49 n ASN 22 Ca -0.11 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 2d49 n ASN 22 Cb 0.57 -4.42 0.00 0.00 1.24 0.00 0.00 39.78 37.17 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d49 n GLY 23 N -0.73 1.17 1.48 8.20 0.00 -1.26 -5.02 105.19 109.03 2d49 n GLY 23 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 1.33 -4.76 1.61 3.00 -0.10 -0.43 116.66 115.31 2d49 n ARG 24 Ca 0.00 -1.42 -0.29 0.00 -0.01 0.00 0.00 57.85 56.13 2d49 n ARG 24 Cb 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 32.46 32.56 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 -2.20 2.57 -0.02 0.55 0.01 -0.82 -0.39 114.94 114.64 2d49 s ASN 25 Ca 0.06 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 2d49 s ASN 25 Cb -0.01 -1.17 -0.04 0.00 0.41 0.00 0.00 41.25 40.45 2d49 s ASN 25 CO 0.04 0.07 0.00 -0.31 -1.51 0.00 0.00 177.10 175.40 2d49 s TYR 26 N 0.68 3.09 -0.10 2.20 1.51 0.46 -0.08 117.35 125.10 2d49 s TYR 26 Ca -0.13 0.10 -0.00 0.00 -1.01 0.00 0.00 57.07 56.03 2d49 s TYR 26 Cb -0.16 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2d49 s TYR 26 CO 0.03 0.46 -0.07 0.99 -1.11 0.00 0.00 175.55 175.85 2d49 s THR 27 N -1.05 0.96 0.95 -0.71 2.01 0.50 -0.39 115.64 117.91 2d49 s THR 27 Ca 0.18 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 2d49 s THR 27 Cb -0.11 -0.97 0.16 0.00 0.01 0.00 0.00 72.50 71.58 2d49 s THR 27 CO 0.09 0.35 1.12 0.00 -0.69 0.00 0.00 174.62 175.49 2d49 s ALA 28 N 1.55 1.47 -0.03 7.40 0.00 -0.60 -2.42 121.76 129.13 2d49 s ALA 28 Ca 0.01 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 51.55 2d49 s ALA 28 Cb -0.13 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 2d49 s ALA 28 CO -0.06 -2.50 0.11 1.63 0.00 0.00 0.00 175.76 174.94 2d49 n LYS 29 N -3.92 1.22 -2.72 0.00 4.76 -1.18 -3.54 118.16 112.78 2d49 n LYS 29 Ca 0.06 -0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 2d49 n LYS 29 Cb 0.59 -1.17 0.02 0.00 -1.84 0.00 0.00 35.03 32.62 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 -1.93 -1.61 -1.64 2.13 2.14 -1.26 -4.01 117.44 111.26 2d49 n TRP 30 Ca -0.05 -1.02 -0.50 0.00 2.07 0.00 0.00 57.50 58.01 2d49 n TRP 30 Cb 0.38 0.51 -0.05 0.00 -0.81 0.00 0.00 31.31 31.34 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 -0.35 1.94 -3.72 -2.67 -0.00 -1.26 -3.79 117.44 107.59 2d49 n TRP 31 Ca -0.04 0.42 -0.13 0.00 -0.00 0.00 0.00 57.50 57.76 2d49 n TRP 31 Cb 0.35 -2.46 -0.10 0.00 -0.00 0.00 0.00 31.31 29.11 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 1.20 -0.01 0.52 5.87 -1.32 0.54 -4.95 115.64 117.49 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 -0.83 -0.60 0.11 0.00 -1.51 0.00 0.00 72.50 69.67 2d49 s THR 32 CO 0.45 0.01 0.71 1.67 -2.21 0.00 0.00 174.62 175.25 2d49 n GLN 33 N 3.17 -0.12 -1.48 7.08 -0.06 -1.26 -2.15 117.38 122.56 2d49 n GLN 33 Ca -0.15 -1.66 -0.44 0.00 -2.00 0.00 0.00 57.00 52.74 2d49 n GLN 33 Cb 0.57 -0.56 -0.09 0.00 -4.06 0.00 0.00 30.24 26.10 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2d49 n ASN 34 N -3.10 1.53 -3.83 1.69 6.94 -1.26 -4.89 115.26 112.33 2d49 n ASN 34 Ca 0.11 0.08 -0.12 0.00 -0.02 0.00 0.00 54.58 54.62 2d49 n ASN 34 Cb 0.38 -1.23 -0.11 0.00 -2.36 0.00 0.00 39.78 36.46 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 7.71 0.30 -0.18 -3.83 2.02 -1.26 -5.05 118.70 118.41 2d49 s GLU 35 Ca 1.15 0.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.89 2d49 s GLU 35 Cb -0.82 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 33.50 2d49 s GLU 35 CO 0.43 -0.05 2.05 1.03 0.02 0.00 0.00 175.26 178.74 2d49 s ARG 36 N -0.39 3.44 0.45 1.61 1.81 -1.26 -4.95 118.95 119.67 2d49 s ARG 36 Ca -0.05 2.04 -0.23 0.00 -1.72 0.00 0.00 55.73 55.77 2d49 s ARG 36 Cb -0.03 -4.27 -0.07 0.00 -0.45 0.00 0.00 34.95 30.12 2d49 s ARG 36 CO 0.01 -1.75 1.17 -1.25 -0.68 0.00 0.00 175.30 172.79 2d49 s PRO 37 N 5.69 3.79 0.00 3.54 0.04 -1.26 -3.41 135.00 143.39 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 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.78 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 0.46 2.34 0.18 0.56 0.00 -1.24 -4.73 105.19 102.77 2d49 n GLY 38 Ca 0.07 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 0.58 -3.99 2.61 2.02 -1.85 -3.45 112.91 108.82 2d49 h THR 39 Ca 0.00 -1.62 -0.69 0.00 0.77 0.00 0.00 66.41 64.87 2d49 h THR 39 Cb 0.00 2.13 -0.22 0.00 -1.74 0.00 0.00 68.15 68.32 2d49 h THR 39 CO 0.00 0.30 -0.84 -0.55 0.37 0.00 0.00 175.52 174.81 2d49 s SER 40 N -6.32 3.55 0.62 4.18 0.15 -1.25 -5.00 113.70 109.64 2d49 s SER 40 Ca 0.04 -0.56 0.31 0.00 0.70 0.00 0.00 55.95 56.44 2d49 s SER 40 Cb 0.08 -0.43 1.75 0.00 -1.71 0.00 0.00 66.02 65.71 2d49 s SER 40 CO 0.69 0.23 2.07 0.44 1.20 0.00 0.00 173.24 177.87 2d49 h ASP 41 N 4.30 0.00 -0.52 5.45 3.32 -1.95 -2.20 116.42 124.82 2d49 h ASP 41 Ca -0.48 0.00 0.10 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 40.61 2d49 h ASP 41 CO 0.44 0.00 -0.07 0.58 -1.72 0.00 0.00 179.24 178.47 2d49 h VAL 42 N 0.00 0.53 -3.31 -1.35 2.07 -1.96 -3.39 116.25 108.85 2d49 h VAL 42 Ca 0.07 -0.02 -0.61 0.00 0.82 0.00 0.00 66.70 66.95 2d49 h VAL 42 Cb 0.54 0.47 -0.16 0.00 -1.52 0.00 0.00 31.29 30.63 2d49 h VAL 42 CO -0.00 0.01 -0.55 0.26 0.02 0.00 0.00 177.57 177.31 2d49 s TRP 43 N -6.20 3.27 -0.03 1.57 0.52 -0.83 -3.09 118.94 114.16 2d49 s TRP 43 Ca -0.14 0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.11 2d49 s TRP 43 Cb 0.17 -2.10 -0.00 0.00 -1.15 0.00 0.00 33.47 30.39 2d49 s TRP 43 CO 0.72 0.15 -0.12 0.00 0.02 0.00 0.00 176.95 177.73 2d49 s ALA 44 N 0.43 1.04 0.01 0.98 0.00 -1.02 -3.63 121.76 119.57 2d49 s ALA 44 Ca 0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2d49 s ALA 44 Cb -0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 2d49 s ALA 44 CO 0.00 0.20 1.97 0.16 0.00 0.00 0.00 175.76 178.08 2d49 s ASP 45 N 0.04 6.39 -0.18 0.00 -4.77 -1.26 -0.37 116.67 116.52 2d49 s ASP 45 Ca -0.01 2.58 0.17 0.00 -3.30 0.00 0.00 52.55 51.99 2d49 s ASP 45 Cb -0.08 -2.53 0.52 0.00 -1.09 0.00 0.00 42.92 39.74 2d49 s ASP 45 CO 0.01 -1.12 1.41 0.29 0.70 0.00 0.00 175.17 176.46 2d49 n LYS 46 N 7.61 2.86 -1.37 2.11 4.76 0.89 -4.90 118.16 130.12 2d49 n LYS 46 Ca 0.20 -2.84 0.00 0.00 -2.87 0.00 0.00 58.31 52.81 2d49 n LYS 46 Cb 0.41 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2d49 n GLY 47 N -0.54 0.42 3.51 0.72 0.00 -1.23 -4.96 105.19 103.11 2d49 n GLY 47 Ca 0.21 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 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 2.81 -0.16 4.61 0.00 -1.26 -1.95 121.76 124.81 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 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 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 0.31 1.41 0.00 0.00 0.00 -1.06 -4.69 107.32 103.30 2d49 s GLY 50 Ca -0.01 -1.34 -0.24 0.00 0.00 0.00 0.00 44.72 43.12 2d49 s GLY 50 CO 0.02 2.04 0.54 -1.08 0.00 0.00 0.00 173.10 174.62 2d49 s THR 51 N 3.93 0.02 0.08 0.90 -1.32 -1.26 -4.80 115.64 113.20 2d49 s THR 51 Ca 0.29 -0.20 -0.27 0.00 -1.21 0.00 0.00 61.69 60.30 2d49 s THR 51 Cb -0.13 -0.92 -0.06 0.00 -1.51 0.00 0.00 72.50 69.88 2d49 s THR 51 CO 0.18 -0.11 0.85 -0.83 -2.21 0.00 0.00 174.62 172.50 2d49 s GLY 52 N -1.58 2.89 0.00 6.08 0.00 -1.26 -5.13 107.32 108.32 2d49 s GLY 52 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2d49 s GLY 52 CO 0.03 1.22 0.21 -1.14 0.00 0.00 0.00 173.10 173.43