#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x32 n SER 2 N 0.00 -3.44 -3.62 1.61 7.64 -1.26 -5.00 113.62 109.56 1x32 n SER 2 Ca 0.00 -0.79 -0.07 0.00 1.01 0.00 0.00 58.87 59.02 1x32 n SER 2 Cb 0.00 -4.45 -0.06 0.00 -1.01 0.00 0.00 64.21 58.69 1x32 n SER 2 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x32 s GLY 3 N -3.96 -0.06 -0.83 0.23 0.00 -1.26 -4.94 107.32 96.50 1x32 s GLY 3 Ca 0.20 2.65 0.00 0.00 0.00 0.00 0.00 44.72 47.57 1x32 s GLY 3 CO 0.79 1.50 0.00 -2.21 0.00 0.00 0.00 173.10 173.17 1x32 n GLU 4 N 1.38 -1.63 0.09 2.90 2.13 -1.26 -4.84 120.64 119.41 1x32 n GLU 4 Ca -0.10 0.75 -0.22 0.00 0.66 0.00 0.00 57.16 58.26 1x32 n GLU 4 Cb 0.57 -5.10 -0.15 0.00 0.27 0.00 0.00 31.44 27.03 1x32 n GLU 4 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x32 h VAL 5 N 0.00 1.41 -1.30 6.31 2.07 -1.99 -3.44 116.25 119.31 1x32 h VAL 5 Ca -0.16 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.79 1x32 h VAL 5 Cb 1.05 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 1x32 h VAL 5 CO 0.23 0.75 0.00 -3.20 0.02 0.00 0.00 177.57 175.37 1x32 n ASN 6 N -3.96 -1.79 0.00 0.57 2.85 -1.26 -5.03 115.26 106.64 1x32 n ASN 6 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1x32 n ASN 6 Cb 0.93 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1x32 n ASN 6 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1x32 n LYS 7 N -0.65 3.32 -1.51 1.20 2.85 -1.26 -4.83 118.16 117.28 1x32 n LYS 7 Ca 0.00 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.79 1x32 n LYS 7 Cb 0.45 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.80 1x32 n LYS 7 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1x32 n ILE 8 N 0.00 1.85 -4.18 0.58 0.13 -1.26 -4.72 119.36 111.76 1x32 n ILE 8 Ca 0.00 -0.46 -0.20 0.00 -1.10 0.00 0.00 62.75 60.98 1x32 n ILE 8 Cb 0.00 -0.54 -0.16 0.00 -0.84 0.00 0.00 39.64 38.09 1x32 n ILE 8 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 1x32 s ILE 9 N -0.93 0.58 -0.03 9.51 -4.36 -1.26 -4.76 121.20 119.95 1x32 s ILE 9 Ca 0.63 -0.14 -0.02 0.00 -0.26 0.00 0.00 60.65 60.86 1x32 s ILE 9 Cb -0.82 -0.60 -0.04 0.00 1.25 0.00 0.00 42.46 42.25 1x32 s ILE 9 CO 0.58 0.24 0.10 -0.83 0.24 0.00 0.00 174.94 175.27 1x32 s GLY 10 N 0.93 2.06 -0.27 6.27 0.00 -1.26 -4.87 107.32 110.18 1x32 s GLY 10 Ca -0.11 -0.81 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 1x32 s GLY 10 CO 0.00 -0.66 0.41 -0.45 0.00 0.00 0.00 173.10 172.40 1x32 s SER 11 N -1.62 0.17 -0.29 1.64 0.15 -1.26 -0.34 113.70 112.16 1x32 s SER 11 Ca 0.22 -0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.89 1x32 s SER 11 Cb -0.12 1.19 0.18 0.00 -1.71 0.00 0.00 66.02 65.56 1x32 s SER 11 CO 0.13 -0.32 0.52 -0.13 1.20 0.00 0.00 173.24 174.63 1x32 s ARG 12 N 2.57 0.50 0.00 5.44 0.52 -1.25 -4.57 118.95 122.16 1x32 s ARG 12 Ca 0.12 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.84 1x32 s ARG 12 Cb -0.14 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.40 1x32 s ARG 12 CO -0.23 -0.93 0.00 2.41 0.02 0.00 0.00 175.30 176.58 1x32 n THR 13 N 5.40 0.00 0.18 0.02 -1.04 -1.24 -4.73 114.28 112.86 1x32 n THR 13 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1x32 n THR 13 Cb 0.52 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1x32 n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x32 n ALA 14 N -1.24 1.45 0.00 2.41 0.00 0.20 -4.88 120.51 118.45 1x32 n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x32 n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x32 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x32 n GLY 15 N -0.05 2.16 0.29 0.00 0.00 0.45 -4.91 105.19 103.14 1x32 n GLY 15 Ca 0.00 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.38 1x32 n GLY 15 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1x32 h GLU 16 N 0.00 0.15 0.00 1.61 4.81 -2.00 -3.41 114.58 115.74 1x32 h GLU 16 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1x32 h GLU 16 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1x32 h GLU 16 CO 0.00 0.10 0.00 0.41 -0.73 0.00 0.00 179.01 178.79 1x32 n GLY 17 N -1.53 -0.78 3.76 1.92 0.00 -1.26 -4.91 105.19 102.38 1x32 n GLY 17 Ca 0.01 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1x32 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x32 s ALA 18 N -2.00 3.51 0.00 4.61 0.00 -1.26 -2.81 121.76 123.81 1x32 s ALA 18 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1x32 s ALA 18 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1x32 s ALA 18 CO 0.00 0.67 0.58 -0.12 0.00 0.00 0.00 175.76 176.89 1x32 n MET 19 N 0.24 0.00 -2.03 0.00 1.56 -1.26 0.17 117.12 115.80 1x32 n MET 19 Ca -0.09 -0.44 -0.02 0.00 -0.27 0.00 0.00 57.70 56.88 1x32 n MET 19 Cb 0.53 0.30 -0.01 0.00 2.15 0.00 0.00 33.22 36.19 1x32 n MET 19 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1x32 n GLU 20 N 0.00 0.10 0.09 2.12 1.02 -1.04 -3.66 120.64 119.26 1x32 n GLU 20 Ca -0.12 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.58 1x32 n GLU 20 Cb 0.49 0.41 0.00 0.00 -0.02 0.00 0.00 31.44 32.32 1x32 n GLU 20 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1x32 n TYR 21 N -0.09 -2.86 -3.18 -0.32 9.36 -0.72 -0.60 117.16 118.74 1x32 n TYR 21 Ca 0.00 0.56 -0.31 0.00 3.32 0.00 0.00 57.90 61.47 1x32 n TYR 21 Cb 0.09 1.63 -0.05 0.00 -0.63 0.00 0.00 39.34 40.39 1x32 n TYR 21 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1x32 s LEU 22 N -5.79 4.04 0.00 2.98 1.43 0.54 -3.86 118.68 118.02 1x32 s LEU 22 Ca 0.00 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1x32 s LEU 22 Cb 0.00 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1x32 s LEU 22 CO 0.00 -0.21 0.00 2.30 0.23 0.00 0.00 176.35 178.67 1x32 n ILE 23 N -0.58 0.00 -1.74 -0.59 -0.00 -1.26 -4.65 119.36 110.53 1x32 n ILE 23 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.67 1x32 n ILE 23 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.15 1x32 n ILE 23 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1x32 n GLU 24 N 0.00 -1.69 -1.52 6.28 0.00 -1.26 -4.71 120.64 117.74 1x32 n GLU 24 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 57.16 57.68 1x32 n GLU 24 Cb 0.00 -4.85 0.00 0.00 0.00 0.00 0.00 31.44 26.60 1x32 n GLU 24 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 1x32 n TRP 25 N -2.24 0.03 -2.54 4.31 2.14 -1.26 -4.93 117.44 112.96 1x32 n TRP 25 Ca -0.10 -0.67 -0.12 0.00 2.07 0.00 0.00 57.50 58.68 1x32 n TRP 25 Cb 0.42 0.07 -0.02 0.00 -0.81 0.00 0.00 31.31 30.96 1x32 n TRP 25 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1x32 n LYS 26 N 0.22 -1.74 -4.07 -2.67 5.02 -1.26 -0.05 118.16 113.60 1x32 n LYS 26 Ca -0.03 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 1x32 n LYS 26 Cb 1.00 -3.11 -0.03 0.00 -0.02 0.00 0.00 35.03 32.87 1x32 n LYS 26 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1x32 n ASP 27 N -1.17 -0.76 0.08 4.39 5.75 -1.26 -4.87 116.55 118.71 1x32 n ASP 27 Ca 0.03 -1.05 -0.13 0.00 -0.01 0.00 0.00 54.79 53.63 1x32 n ASP 27 Cb 0.32 -2.76 -0.06 0.00 -1.03 0.00 0.00 41.12 37.60 1x32 n ASP 27 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1x32 h GLY 28 N -1.75 -0.65 -7.04 6.12 0.00 -0.86 -3.36 103.07 95.52 1x32 h GLY 28 Ca -0.63 0.43 -0.60 0.00 0.00 0.00 0.00 47.33 46.53 1x32 h GLY 28 CO 0.67 -0.25 -0.75 0.30 0.00 0.00 0.00 176.54 176.51 1x32 s HIS 29 N -5.97 1.83 -0.00 5.60 3.76 -1.26 -5.03 115.29 114.21 1x32 s HIS 29 Ca -0.16 -2.11 -0.00 0.00 -0.15 0.00 0.00 55.06 52.64 1x32 s HIS 29 Cb 0.08 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1x32 s HIS 29 CO 0.64 -0.83 0.00 0.43 -0.85 0.00 0.00 174.74 174.14 1x32 n SER 30 N 4.12 -2.63 -3.04 1.40 7.64 -1.26 -4.63 113.62 115.22 1x32 n SER 30 Ca 0.04 1.00 -0.39 0.00 1.01 0.00 0.00 58.87 60.53 1x32 n SER 30 Cb 0.38 -1.60 -0.05 0.00 -1.01 0.00 0.00 64.21 61.93 1x32 n SER 30 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1x32 n PRO 31 N 2.17 0.00 -3.73 1.43 -0.01 -1.26 -4.89 135.00 128.72 1x32 n PRO 31 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 63.50 63.37 1x32 n PRO 31 Cb 0.00 -0.99 -0.07 0.00 -0.01 0.00 0.00 33.50 32.44 1x32 n PRO 31 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 175.50 174.37 1x32 s SER 32 N -0.04 -0.15 -0.90 2.55 0.01 -1.26 -4.97 113.70 108.94 1x32 s SER 32 Ca 0.60 -0.23 -0.21 0.00 1.31 0.00 0.00 55.95 57.43 1x32 s SER 32 Cb -0.84 0.39 0.09 0.00 0.21 0.00 0.00 66.02 65.87 1x32 s SER 32 CO 0.39 -0.68 1.20 0.86 0.41 0.00 0.00 173.24 175.41 1x32 s TRP 33 N -2.91 2.83 0.30 2.43 -0.11 -1.25 -4.40 118.94 115.83 1x32 s TRP 33 Ca -0.02 -1.02 -0.07 0.00 1.22 0.00 0.00 56.10 56.20 1x32 s TRP 33 Cb 0.00 -4.42 0.03 0.00 -1.50 0.00 0.00 33.47 27.58 1x32 s TRP 33 CO -0.06 -1.67 0.52 0.28 -4.62 0.00 0.00 176.95 171.40 1x32 n VAL 34 N 6.01 0.00 -2.82 5.86 0.31 0.23 -4.82 118.33 123.10 1x32 n VAL 34 Ca 0.21 -1.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.04 1x32 n VAL 34 Cb 0.49 0.83 -0.04 0.00 -0.91 0.00 0.00 33.84 34.21 1x32 n VAL 34 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1x32 s PRO 35 N -2.32 3.24 -0.11 5.55 0.04 -1.26 -1.75 135.00 138.38 1x32 s PRO 35 Ca 0.17 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1x32 s PRO 35 Cb -0.03 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1x32 s PRO 35 CO 0.13 -1.66 0.00 0.45 0.04 0.00 0.00 177.00 175.95 1x32 n SER 36 N 7.73 -1.11 0.00 6.66 2.88 -1.26 -4.51 113.62 124.01 1x32 n SER 36 Ca -0.00 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1x32 n SER 36 Cb 0.47 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1x32 n SER 36 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x32 n SER 37 N -1.07 0.64 -3.12 -3.46 7.64 -1.26 -4.92 113.62 108.06 1x32 n SER 37 Ca -0.01 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.91 1x32 n SER 37 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1x32 n SER 37 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1x32 s TYR 38 N 1.13 -0.89 -0.33 1.43 -0.85 -1.26 -4.57 117.35 112.01 1x32 s TYR 38 Ca 0.00 0.48 0.06 0.00 -0.52 0.00 0.00 57.07 57.09 1x32 s TYR 38 Cb 0.00 0.15 0.46 0.00 0.38 0.00 0.00 41.96 42.95 1x32 s TYR 38 CO 0.00 -0.53 1.34 0.44 -1.52 0.00 0.00 175.55 175.28 1x32 n ILE 39 N 5.06 2.64 -2.05 -3.49 -5.35 -1.26 -3.68 119.36 111.24 1x32 n ILE 39 Ca 0.08 -3.77 -0.27 0.00 -0.27 0.00 0.00 62.75 58.52 1x32 n ILE 39 Cb 0.57 -0.94 -0.05 0.00 -1.74 0.00 0.00 39.64 37.48 1x32 n ILE 39 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x32 s ALA 40 N -3.55 1.67 0.00 -1.28 0.00 -1.26 -3.46 121.76 113.88 1x32 s ALA 40 Ca 0.51 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1x32 s ALA 40 Cb 0.42 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1x32 s ALA 40 CO 0.01 -4.81 0.00 0.00 0.00 0.00 0.00 175.76 170.96 1x32 n ALA 41 N 13.95 0.00 -2.87 0.00 0.00 -1.26 -5.04 120.51 125.29 1x32 n ALA 41 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 1x32 n ALA 41 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1x32 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x32 n ASP 42 N 0.00 -7.63 -3.69 0.00 -0.08 -1.22 -5.06 116.55 98.87 1x32 n ASP 42 Ca 0.00 1.07 -0.02 0.00 -1.51 0.00 0.00 54.79 54.33 1x32 n ASP 42 Cb 0.00 -4.38 -0.01 0.00 2.34 0.00 0.00 41.12 39.07 1x32 n ASP 42 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1x32 s VAL 43 N -1.58 0.00 -0.05 5.18 0.11 -1.25 -5.15 120.40 117.66 1x32 s VAL 43 Ca 0.04 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1x32 s VAL 43 Cb -0.01 -2.06 0.01 0.00 -1.53 0.00 0.00 36.38 32.79 1x32 s VAL 43 CO 0.61 0.00 -0.13 0.54 -3.33 0.00 0.00 175.10 172.79 1x32 s VAL 44 N -2.93 1.15 0.00 2.04 0.11 -1.26 -4.46 120.40 115.06 1x32 s VAL 44 Ca 0.14 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1x32 s VAL 44 Cb 0.01 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1x32 s VAL 44 CO 0.00 0.35 0.00 -0.24 -3.33 0.00 0.00 175.10 171.88 1x32 n SER 45 N 3.48 -4.34 0.00 3.54 2.88 -1.12 -4.82 113.62 113.23 1x32 n SER 45 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1x32 n SER 45 Cb 0.53 -2.99 0.00 0.00 -0.75 0.00 0.00 64.21 60.99 1x32 n SER 45 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1x32 n GLU 46 N -0.00 -1.72 0.00 -1.46 2.13 -1.26 -4.65 120.64 113.68 1x32 n GLU 46 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1x32 n GLU 46 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.05 1x32 n GLU 46 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70