#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sh1 s ALA 2 N 0.00 3.35 0.11 0.00 0.00 -1.26 -1.67 121.76 122.29 2sh1 s ALA 2 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.30 2sh1 s ALA 2 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2sh1 s ALA 2 CO 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 175.76 175.73 2sh1 s LYS 4 N -3.60 4.31 -0.17 0.00 2.20 -1.26 -2.47 119.74 118.74 2sh1 s LYS 4 Ca 0.12 1.77 -0.11 0.00 -0.36 0.00 0.00 55.97 57.39 2sh1 s LYS 4 Cb 0.03 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 2sh1 s LYS 4 CO -0.02 -0.53 0.18 0.00 -0.36 0.00 0.00 175.35 174.61 2sh1 n ASP 6 N 3.25 1.97 -4.32 0.00 9.92 -0.12 -2.83 116.55 124.42 2sh1 n ASP 6 Ca -0.16 0.18 -0.46 0.00 -0.53 0.00 0.00 54.79 53.82 2sh1 n ASP 6 Cb 0.52 -0.68 -0.02 0.00 -0.64 0.00 0.00 41.12 40.30 2sh1 n ASP 6 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2sh1 s ASP 7 N -7.15 6.85 -1.31 -2.24 1.11 0.20 -1.32 116.67 112.80 2sh1 s ASP 7 Ca -0.37 -2.99 -0.12 0.00 0.18 0.00 0.00 52.55 49.24 2sh1 s ASP 7 Cb 0.13 -2.19 0.13 0.00 1.07 0.00 0.00 42.92 42.06 2sh1 s ASP 7 CO 0.53 -0.47 1.88 -0.62 1.18 0.00 0.00 175.17 177.67 2sh1 n GLU 8 N 3.53 3.36 0.00 8.23 4.71 0.35 -4.37 120.64 136.45 2sh1 n GLU 8 Ca 0.17 -3.34 0.00 0.00 -0.01 0.00 0.00 57.16 53.98 2sh1 n GLU 8 Cb 0.44 -3.08 0.00 0.00 -1.01 0.00 0.00 31.44 27.79 2sh1 n GLU 8 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2sh1 n GLY 9 N 3.53 2.88 0.17 0.62 0.00 -1.26 -0.86 105.19 110.28 2sh1 n GLY 9 Ca 0.43 0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.59 2sh1 n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2sh1 h PRO 10 N 0.00 0.00 -6.12 1.61 0.11 -1.99 -3.43 132.00 122.17 2sh1 h PRO 10 Ca 0.00 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.53 2sh1 h PRO 10 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 2sh1 h PRO 10 CO 0.00 0.44 1.14 -0.51 -0.21 0.00 0.00 178.00 178.85 2sh1 s ASP 11 N -6.80 6.29 -0.98 -2.05 1.11 -0.04 -4.95 116.67 109.25 2sh1 s ASP 11 Ca -0.02 -0.90 -0.24 0.00 0.18 0.00 0.00 52.55 51.58 2sh1 s ASP 11 Cb 0.13 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.62 2sh1 s ASP 11 CO 0.72 -1.66 1.50 0.27 1.18 0.00 0.00 175.17 177.19 2sh1 s ILE 12 N 5.18 3.83 -0.28 0.77 -5.25 -1.25 -0.49 121.20 123.71 2sh1 s ILE 12 Ca 0.37 -0.60 0.01 0.00 -0.99 0.00 0.00 60.65 59.45 2sh1 s ILE 12 Cb -0.06 -4.90 0.08 0.00 2.95 0.00 0.00 42.46 40.53 2sh1 s ILE 12 CO 0.05 -1.79 0.01 -0.60 -1.79 0.00 0.00 174.94 170.82 2sh1 s ARG 13 N 5.33 1.38 -1.44 0.37 6.06 -0.44 -5.02 118.95 125.20 2sh1 s ARG 13 Ca 0.48 -1.23 -0.10 0.00 -2.50 0.00 0.00 55.73 52.38 2sh1 s ARG 13 Cb -0.02 -2.61 0.05 0.00 0.06 0.00 0.00 34.95 32.44 2sh1 s ARG 13 CO -0.06 -0.77 2.38 0.25 -2.50 0.00 0.00 175.30 174.60 2sh1 n THR 14 N 4.61 4.26 0.03 4.11 -2.24 -1.26 -4.10 114.28 119.68 2sh1 n THR 14 Ca -0.06 -3.48 0.00 0.00 -2.27 0.00 0.00 64.05 58.24 2sh1 n THR 14 Cb 0.43 -2.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.21 2sh1 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2sh1 n ALA 15 N 4.01 0.43 -1.70 6.98 0.00 -1.13 -4.98 120.51 124.12 2sh1 n ALA 15 Ca 0.59 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.60 2sh1 n ALA 15 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 2sh1 n ALA 15 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2sh1 n PRO 16 N -2.61 2.70 0.00 0.00 -0.02 -1.23 -4.64 135.00 129.19 2sh1 n PRO 16 Ca 0.00 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2sh1 n PRO 16 Cb 0.00 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 30.65 2sh1 n PRO 16 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2sh1 n LEU 17 N 4.55 1.52 -3.94 2.45 4.77 -1.26 -0.05 117.00 125.05 2sh1 n LEU 17 Ca 0.17 -0.76 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 2sh1 n LEU 17 Cb 0.35 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2sh1 n LEU 17 CO 0.65 0.26 1.15 0.35 -1.33 0.00 0.00 177.39 178.47 2sh1 n THR 18 N 0.66 5.39 -3.48 -5.08 -2.24 -1.21 -3.85 114.28 104.47 2sh1 n THR 18 Ca 0.00 -5.94 -0.10 0.00 -2.27 0.00 0.00 64.05 55.74 2sh1 n THR 18 Cb 0.26 -2.00 -0.03 0.00 -2.10 0.00 0.00 70.33 66.46 2sh1 n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2sh1 s GLY 19 N -1.78 -0.51 -0.06 3.38 0.00 -1.03 -4.61 107.32 102.71 2sh1 s GLY 19 Ca 0.32 0.95 0.02 0.00 0.00 0.00 0.00 44.72 46.02 2sh1 s GLY 19 CO 0.08 0.38 -0.11 -1.59 0.00 0.00 0.00 173.10 171.86 2sh1 s THR 20 N -3.01 3.37 -0.25 0.90 2.01 0.85 -0.60 115.64 118.91 2sh1 s THR 20 Ca 0.02 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2sh1 s THR 20 Cb -0.01 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 2sh1 s THR 20 CO -0.08 0.59 1.45 -0.69 -0.69 0.00 0.00 174.62 175.20 2sh1 s VAL 21 N -0.72 3.94 -0.01 3.82 1.01 -0.67 -1.03 120.40 126.74 2sh1 s VAL 21 Ca 0.11 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.19 2sh1 s VAL 21 Cb -0.11 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2sh1 s VAL 21 CO 0.01 -0.36 -0.11 -1.81 0.00 0.00 0.00 175.10 172.83 2sh1 s ASP 22 N 3.38 4.27 -0.06 3.32 1.11 -0.35 -4.88 116.67 123.47 2sh1 s ASP 22 Ca 0.63 -0.21 -0.26 0.00 0.18 0.00 0.00 52.55 52.90 2sh1 s ASP 22 Cb -0.21 -0.92 -0.03 0.00 1.07 0.00 0.00 42.92 42.83 2sh1 s ASP 22 CO 0.25 0.30 0.79 -0.76 1.18 0.00 0.00 175.17 176.94 2sh1 s LEU 23 N -1.16 4.32 0.00 1.23 1.43 -1.26 -0.70 118.68 122.54 2sh1 s LEU 23 Ca 0.14 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2sh1 s LEU 23 Cb -0.11 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2sh1 s LEU 23 CO 0.04 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.05 2sh1 n GLY 24 N 3.07 1.05 3.27 -3.19 0.00 -0.09 -4.76 105.19 104.55 2sh1 n GLY 24 Ca 0.01 0.43 -0.18 0.00 0.00 0.00 0.00 46.02 46.28 2sh1 n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2sh1 s SER 25 N -4.00 2.17 -0.15 1.61 0.15 -1.26 -3.98 113.70 108.25 2sh1 s SER 25 Ca 0.00 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 2sh1 s SER 25 Cb 0.00 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2sh1 s SER 25 CO 0.00 -0.14 0.03 0.00 1.20 0.00 0.00 173.24 174.33 2sh1 s ASN 27 N 0.02 5.78 -0.14 0.00 2.47 -1.26 -4.89 114.94 116.92 2sh1 s ASN 27 Ca 0.04 1.36 -0.37 0.00 0.42 0.00 0.00 52.86 54.31 2sh1 s ASN 27 Cb -0.12 -2.29 -0.14 0.00 -1.45 0.00 0.00 41.25 37.25 2sh1 s ASN 27 CO 0.01 -1.15 1.76 0.00 -3.72 0.00 0.00 177.10 174.00 2sh1 n ALA 28 N -2.92 0.30 0.00 1.71 0.00 -1.26 -0.84 120.51 117.50 2sh1 n ALA 28 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2sh1 n ALA 28 Cb 0.55 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2sh1 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2sh1 n GLY 29 N 4.10 2.26 3.49 0.00 0.00 -1.26 -5.07 105.19 108.71 2sh1 n GLY 29 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2sh1 n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2sh1 s TRP 30 N -2.13 3.22 -0.38 1.61 0.52 -0.02 -1.10 118.94 120.67 2sh1 s TRP 30 Ca 0.00 -0.38 -0.25 0.00 0.02 0.00 0.00 56.10 55.49 2sh1 s TRP 30 Cb 0.00 -2.45 0.01 0.00 -1.15 0.00 0.00 33.47 29.88 2sh1 s TRP 30 CO 0.00 -0.42 0.88 -2.00 0.02 0.00 0.00 176.95 175.43 2sh1 s GLU 31 N 1.68 3.78 -0.56 4.98 -6.30 0.35 -4.73 118.70 117.90 2sh1 s GLU 31 Ca 0.05 0.45 -0.26 0.00 -2.50 0.00 0.00 54.97 52.71 2sh1 s GLU 31 Cb -0.18 -3.82 -0.06 0.00 0.00 0.00 0.00 34.13 30.07 2sh1 s GLU 31 CO 0.09 -0.95 2.27 0.15 0.02 0.00 0.00 175.26 176.84 2sh1 s LYS 32 N 3.40 2.18 -0.03 4.30 1.02 -1.26 -0.86 119.74 128.48 2sh1 s LYS 32 Ca 0.36 1.09 -0.23 0.00 0.02 0.00 0.00 55.97 57.20 2sh1 s LYS 32 Cb -0.12 -4.58 -0.17 0.00 -0.52 0.00 0.00 37.83 32.44 2sh1 s LYS 32 CO 0.19 -3.28 1.05 0.00 -0.92 0.00 0.00 175.35 172.39 2sh1 s ALA 34 N -4.04 1.36 0.36 0.00 0.00 -0.01 -0.63 121.76 118.79 2sh1 s ALA 34 Ca -0.14 -1.53 0.16 0.00 0.00 0.00 0.00 51.96 50.45 2sh1 s ALA 34 Cb 0.01 -1.57 1.09 0.00 0.00 0.00 0.00 23.12 22.65 2sh1 s ALA 34 CO 0.55 -1.64 1.69 0.66 0.00 0.00 0.00 175.76 177.02 2sh1 h SER 35 N 8.15 0.51 -4.16 0.00 4.64 -1.79 -0.12 113.55 120.77 2sh1 h SER 35 Ca -0.15 0.15 -0.62 0.00 -0.47 0.00 0.00 61.79 60.71 2sh1 h SER 35 Cb 1.02 0.09 -0.31 0.00 -0.31 0.00 0.00 62.40 62.89 2sh1 h SER 35 CO 0.46 -0.05 -0.86 -0.47 -0.87 0.00 0.00 176.83 175.04 2sh1 s TYR 36 N -5.61 1.99 0.29 4.77 5.04 -1.26 -4.63 117.35 117.93 2sh1 s TYR 36 Ca -0.10 -0.50 0.04 0.00 -2.44 0.00 0.00 57.07 54.07 2sh1 s TYR 36 Cb 0.29 -1.31 -0.03 0.00 0.35 0.00 0.00 41.96 41.25 2sh1 s TYR 36 CO 0.80 -0.13 0.21 -0.47 -1.34 0.00 0.00 175.55 174.62 2sh1 s TYR 37 N -0.23 1.55 -0.47 4.97 5.04 0.46 -4.73 117.35 123.93 2sh1 s TYR 37 Ca 0.01 -1.52 -0.46 0.00 -2.44 0.00 0.00 57.07 52.66 2sh1 s TYR 37 Cb -0.11 -0.70 -0.20 0.00 0.35 0.00 0.00 41.96 41.30 2sh1 s TYR 37 CO 0.01 -0.73 1.60 0.25 -1.34 0.00 0.00 175.55 175.35 2sh1 n THR 38 N -0.51 0.03 0.00 4.34 -2.24 -1.26 -2.64 114.28 111.99 2sh1 n THR 38 Ca 0.04 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2sh1 n THR 38 Cb 0.64 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2sh1 n THR 38 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2sh1 n ILE 39 N 4.00 0.00 -2.43 2.28 -0.00 -1.26 -3.08 119.36 118.87 2sh1 n ILE 39 Ca 0.30 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.83 2sh1 n ILE 39 Cb -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.61 2sh1 n ILE 39 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 2sh1 n ILE 40 N 0.00 2.17 -4.28 1.39 -6.64 -1.26 -5.05 119.36 105.69 2sh1 n ILE 40 Ca 0.00 -4.45 -0.18 0.00 -1.77 0.00 0.00 62.75 56.34 2sh1 n ILE 40 Cb 0.00 -0.87 -0.11 0.00 -1.44 0.00 0.00 39.64 37.22 2sh1 n ILE 40 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2sh1 s ALA 41 N -3.51 1.68 -0.02 -1.28 0.00 -1.08 -0.91 121.76 116.64 2sh1 s ALA 41 Ca 0.45 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2sh1 s ALA 41 Cb 0.41 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.46 2sh1 s ALA 41 CO -0.11 0.10 -0.03 0.16 0.00 0.00 0.00 175.76 175.88 2sh1 s ASP 42 N -2.73 0.59 -0.29 0.00 -4.77 0.12 -0.40 116.67 109.20 2sh1 s ASP 42 Ca 0.13 -0.08 -0.21 0.00 -3.30 0.00 0.00 52.55 49.10 2sh1 s ASP 42 Cb -0.03 -0.21 -0.01 0.00 -1.09 0.00 0.00 42.92 41.57 2sh1 s ASP 42 CO 0.04 -0.02 0.66 0.00 0.70 0.00 0.00 175.17 176.55 2sh1 s ARG 45 N -1.73 2.52 -0.54 0.00 6.06 -0.04 -0.10 118.95 125.11 2sh1 s ARG 45 Ca -0.10 -0.88 -0.26 0.00 -2.50 0.00 0.00 55.73 51.99 2sh1 s ARG 45 Cb -0.09 -2.18 0.04 0.00 0.06 0.00 0.00 34.95 32.77 2sh1 s ARG 45 CO -0.01 0.42 1.02 0.21 -2.50 0.00 0.00 175.30 174.44 2sh1 s LYS 46 N -0.26 3.43 -1.21 5.12 2.36 -1.26 -0.50 119.74 127.42 2sh1 s LYS 46 Ca -0.00 -0.03 -0.20 0.00 -2.55 0.00 0.00 55.97 53.19 2sh1 s LYS 46 Cb -0.13 -4.02 0.04 0.00 -1.05 0.00 0.00 37.83 32.67 2sh1 s LYS 46 CO 0.03 -1.50 1.71 -1.59 1.55 0.00 0.00 175.35 175.55 2sh1 s LYS 47 N 4.22 3.64 0.00 4.03 -2.85 -0.26 -5.00 119.74 123.53 2sh1 s LYS 47 Ca 0.36 -1.63 0.14 0.00 -1.00 0.00 0.00 55.97 53.83 2sh1 s LYS 47 Cb -0.11 -5.44 0.11 0.00 -2.06 0.00 0.00 37.83 30.33 2sh1 s LYS 47 CO 0.22 -2.53 0.93 0.36 0.10 0.00 0.00 175.35 174.44