#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 3.31 0.04 0.00 0.00 -1.26 -1.28 121.76 122.56 2sh1 s ALA 2 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.27 2sh1 s ALA 2 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 2sh1 s ALA 2 CO 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 175.76 175.54 2sh1 s LYS 4 N -1.11 4.50 0.37 0.00 2.20 -1.26 -2.72 119.74 121.73 2sh1 s LYS 4 Ca 0.02 1.52 -0.12 0.00 -0.36 0.00 0.00 55.97 57.03 2sh1 s LYS 4 Cb -0.08 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.73 2sh1 s LYS 4 CO 0.01 -0.15 0.76 0.00 -0.36 0.00 0.00 175.35 175.61 2sh1 n ASP 6 N -0.93 4.34 -2.97 0.00 8.00 0.47 -4.54 116.55 120.92 2sh1 n ASP 6 Ca 0.03 -2.85 -0.07 0.00 0.71 0.00 0.00 54.79 52.61 2sh1 n ASP 6 Cb 0.54 -1.73 0.01 0.00 -0.02 0.00 0.00 41.12 39.91 2sh1 n ASP 6 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2sh1 n ASP 7 N 9.98 -7.33 -3.67 -2.24 5.75 -1.26 -4.87 116.55 112.91 2sh1 n ASP 7 Ca 0.48 0.79 -0.41 0.00 -0.01 0.00 0.00 54.79 55.64 2sh1 n ASP 7 Cb 0.46 -3.90 -0.00 0.00 -1.03 0.00 0.00 41.12 36.65 2sh1 n ASP 7 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2sh1 n GLU 8 N 0.56 3.75 0.00 0.11 1.02 0.11 -4.90 120.64 121.29 2sh1 n GLU 8 Ca 0.01 -3.19 0.00 0.00 -0.02 0.00 0.00 57.16 53.96 2sh1 n GLU 8 Cb 0.31 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 28.83 2sh1 n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2sh1 n GLY 9 N 2.84 1.14 0.31 0.62 0.00 -1.26 -0.61 105.19 108.22 2sh1 n GLY 9 Ca 0.52 0.49 0.04 0.00 0.00 0.00 0.00 46.02 47.07 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 0.52 -5.50 1.61 0.11 -2.00 -3.37 132.00 123.37 2sh1 h PRO 10 Ca 0.00 -0.03 -0.70 0.00 0.11 0.00 0.00 66.00 65.38 2sh1 h PRO 10 Cb 0.00 -0.12 -0.11 0.00 0.11 0.00 0.00 31.00 30.88 2sh1 h PRO 10 CO 0.00 0.34 1.88 -0.51 -0.21 0.00 0.00 178.00 179.50 2sh1 s ASP 11 N -6.69 6.90 0.15 -2.05 1.01 0.22 -4.25 116.67 111.95 2sh1 s ASP 11 Ca -0.08 -2.58 0.00 0.00 0.71 0.00 0.00 52.55 50.60 2sh1 s ASP 11 Cb 0.17 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.59 2sh1 s ASP 11 CO 0.73 -1.05 0.00 0.00 0.21 0.00 0.00 175.17 175.06 2sh1 n ILE 12 N 5.83 0.83 -0.20 0.77 0.13 -1.26 -0.71 119.36 124.75 2sh1 n ILE 12 Ca 0.44 0.28 -0.06 0.00 -1.10 0.00 0.00 62.75 62.31 2sh1 n ILE 12 Cb 0.45 -1.25 0.04 0.00 -0.84 0.00 0.00 39.64 38.05 2sh1 n ILE 12 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 2sh1 h ARG 13 N 0.00 0.72 -5.46 9.51 3.08 -1.93 -3.02 114.38 117.26 2sh1 h ARG 13 Ca 0.00 -0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.33 2sh1 h ARG 13 Cb 0.00 -0.16 -0.13 0.00 0.08 0.00 0.00 29.97 29.76 2sh1 h ARG 13 CO 0.00 0.47 1.45 0.95 -1.07 0.00 0.00 179.97 181.77 2sh1 s THR 14 N -6.14 4.43 -0.48 2.04 -4.23 -1.26 -4.96 115.64 105.03 2sh1 s THR 14 Ca -0.13 -1.65 -0.36 0.00 -1.18 0.00 0.00 61.69 58.37 2sh1 s THR 14 Cb 0.13 -4.98 -0.17 0.00 1.34 0.00 0.00 72.50 68.83 2sh1 s THR 14 CO 0.75 -1.77 1.89 0.00 -0.54 0.00 0.00 174.62 174.94 2sh1 n ALA 15 N 7.44 0.20 -1.62 3.99 0.00 -1.14 -4.60 120.51 124.77 2sh1 n ALA 15 Ca 0.35 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 2sh1 n ALA 15 Cb 0.48 -1.79 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 2sh1 n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2sh1 n PRO 16 N 6.50 2.58 -0.09 0.00 -0.04 -1.26 -4.75 135.00 137.94 2sh1 n PRO 16 Ca 0.48 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 2sh1 n PRO 16 Cb -0.03 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.22 2sh1 n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2sh1 n LEU 17 N 6.42 2.51 -0.97 1.53 4.77 -1.26 -0.68 117.00 129.33 2sh1 n LEU 17 Ca 0.51 -1.21 0.08 0.00 -0.03 0.00 0.00 56.01 55.36 2sh1 n LEU 17 Cb 0.39 -0.46 0.23 0.00 -2.33 0.00 0.00 43.42 41.26 2sh1 n LEU 17 CO 0.93 0.44 0.70 1.07 -1.33 0.00 0.00 177.39 179.20 2sh1 n THR 18 N 0.91 1.33 -4.61 -5.08 5.66 -1.18 -3.77 114.28 107.55 2sh1 n THR 18 Ca 0.00 -1.16 -0.31 0.00 -3.05 0.00 0.00 64.05 59.53 2sh1 n THR 18 Cb 0.35 0.33 -0.12 0.00 -1.55 0.00 0.00 70.33 69.33 2sh1 n THR 18 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2sh1 s GLY 19 N -1.12 1.61 -0.13 1.09 0.00 -1.10 -4.82 107.32 102.85 2sh1 s GLY 19 Ca 0.35 -1.17 -0.06 0.00 0.00 0.00 0.00 44.72 43.84 2sh1 s GLY 19 CO 0.19 -1.07 0.10 -1.59 0.00 0.00 0.00 173.10 170.74 2sh1 s THR 20 N -0.95 5.16 -0.34 0.90 2.01 0.47 -0.37 115.64 122.51 2sh1 s THR 20 Ca 0.15 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 2sh1 s THR 20 Cb -0.11 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 2sh1 s THR 20 CO 0.06 0.57 1.75 -0.69 -0.69 0.00 0.00 174.62 175.62 2sh1 s VAL 21 N -0.62 3.53 -0.04 3.82 1.01 -0.40 -0.54 120.40 127.16 2sh1 s VAL 21 Ca 0.12 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.67 2sh1 s VAL 21 Cb -0.12 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2sh1 s VAL 21 CO 0.02 -0.46 -0.12 -0.62 0.00 0.00 0.00 175.10 173.92 2sh1 s ASP 22 N 5.82 4.25 0.13 3.32 -1.08 0.19 -4.65 116.67 124.65 2sh1 s ASP 22 Ca 0.77 -0.17 -0.26 0.00 -0.52 0.00 0.00 52.55 52.37 2sh1 s ASP 22 Cb -0.21 -0.94 -0.07 0.00 -1.46 0.00 0.00 42.92 40.24 2sh1 s ASP 22 CO 0.33 0.33 0.80 -0.22 0.52 0.00 0.00 175.17 176.93 2sh1 s LEU 23 N -0.94 4.54 0.00 -1.34 2.96 -1.26 -1.08 118.68 121.56 2sh1 s LEU 23 Ca 0.13 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 2sh1 s LEU 23 Cb -0.11 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.27 2sh1 s LEU 23 CO 0.02 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 2sh1 n GLY 24 N 1.90 2.35 3.30 7.98 0.00 0.06 -4.80 105.19 115.98 2sh1 n GLY 24 Ca -0.04 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2sh1 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2sh1 s SER 25 N -3.29 -0.31 -0.51 1.61 0.01 -1.26 -4.77 113.70 105.18 2sh1 s SER 25 Ca 0.00 0.31 -0.26 0.00 1.31 0.00 0.00 55.95 57.31 2sh1 s SER 25 Cb 0.00 0.44 -0.06 0.00 0.21 0.00 0.00 66.02 66.61 2sh1 s SER 25 CO 0.00 -0.43 2.29 0.00 0.41 0.00 0.00 173.24 175.51 2sh1 n ASN 27 N 15.19 0.00 -4.55 0.00 0.23 -1.26 -4.82 115.26 120.05 2sh1 n ASN 27 Ca 0.33 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.98 2sh1 n ASN 27 Cb 0.54 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 2sh1 n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2sh1 n ALA 28 N -3.00 1.16 -0.88 -2.53 0.00 -1.26 -0.81 120.51 113.19 2sh1 n ALA 28 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2sh1 n ALA 28 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.46 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 6.01 0.54 3.38 0.00 0.00 -1.26 -5.01 105.19 108.85 2sh1 n GLY 29 Ca 0.36 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 3.09 0.00 1.61 0.52 0.01 -0.21 118.94 121.96 2sh1 s TRP 30 Ca 0.00 -0.76 -0.15 0.00 0.02 0.00 0.00 56.10 55.21 2sh1 s TRP 30 Cb 0.00 -2.22 -0.06 0.00 -1.15 0.00 0.00 33.47 30.04 2sh1 s TRP 30 CO 0.00 -0.49 0.43 -2.00 0.02 0.00 0.00 176.95 174.91 2sh1 s GLU 31 N 1.54 3.97 0.06 4.98 2.56 -0.00 -4.13 118.70 127.68 2sh1 s GLU 31 Ca 0.05 0.45 -0.32 0.00 0.00 0.00 0.00 54.97 55.14 2sh1 s GLU 31 Cb -0.16 -3.24 -0.11 0.00 2.00 0.00 0.00 34.13 32.62 2sh1 s GLU 31 CO 0.02 0.65 1.84 1.17 -0.56 0.00 0.00 175.26 178.38 2sh1 n LYS 32 N 1.93 2.58 -0.04 4.30 4.81 -1.26 0.06 118.16 130.53 2sh1 n LYS 32 Ca -0.13 0.94 -0.04 0.00 -0.87 0.00 0.00 58.31 58.21 2sh1 n LYS 32 Cb 0.52 -2.82 -0.01 0.00 0.02 0.00 0.00 35.03 32.74 2sh1 n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2sh1 s ALA 34 N -2.95 0.23 0.30 0.00 0.00 -0.52 -0.39 121.76 118.42 2sh1 s ALA 34 Ca -0.13 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.07 2sh1 s ALA 34 Cb 0.02 -0.35 0.61 0.00 0.00 0.00 0.00 23.12 23.40 2sh1 s ALA 34 CO 0.19 -0.16 1.86 0.66 0.00 0.00 0.00 175.76 178.32 2sh1 h SER 35 N 7.47 0.86 -4.23 0.00 4.64 -1.95 0.74 113.55 121.09 2sh1 h SER 35 Ca -0.39 0.04 -0.49 0.00 -0.47 0.00 0.00 61.79 60.47 2sh1 h SER 35 Cb 1.13 -0.14 -0.29 0.00 -0.31 0.00 0.00 62.40 62.79 2sh1 h SER 35 CO 0.43 0.48 -0.81 -0.47 -0.87 0.00 0.00 176.83 175.58 2sh1 s TYR 36 N -5.88 1.31 0.00 4.77 5.04 -1.26 -4.51 117.35 116.82 2sh1 s TYR 36 Ca -0.11 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 2sh1 s TYR 36 Cb 0.22 -0.84 0.00 0.00 0.35 0.00 0.00 41.96 41.69 2sh1 s TYR 36 CO 0.80 -0.02 0.00 0.98 -1.34 0.00 0.00 175.55 175.97 2sh1 n TYR 37 N 2.67 0.00 -3.67 4.97 9.36 -0.48 -4.67 117.16 125.33 2sh1 n TYR 37 Ca -0.14 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 60.88 2sh1 n TYR 37 Cb 0.55 0.04 -0.18 0.00 -0.63 0.00 0.00 39.34 39.12 2sh1 n TYR 37 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2sh1 s THR 38 N -0.31 -0.10 0.00 2.97 -4.23 -0.96 -5.02 115.64 107.99 2sh1 s THR 38 Ca 0.00 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 2sh1 s THR 38 Cb 0.00 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 73.69 2sh1 s THR 38 CO 0.00 0.18 0.00 2.30 -0.54 0.00 0.00 174.62 176.56 2sh1 n ILE 39 N 5.28 0.00 -1.09 2.99 -5.35 -1.26 -0.46 119.36 119.47 2sh1 n ILE 39 Ca -0.04 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.34 2sh1 n ILE 39 Cb 0.50 0.00 0.28 0.00 -1.74 0.00 0.00 39.64 38.68 2sh1 n ILE 39 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2sh1 n ILE 40 N 0.00 3.02 -4.71 7.28 -5.35 -1.26 -4.89 119.36 113.45 2sh1 n ILE 40 Ca 0.00 -1.69 -0.25 0.00 -0.27 0.00 0.00 62.75 60.53 2sh1 n ILE 40 Cb 0.00 -0.39 -0.16 0.00 -1.74 0.00 0.00 39.64 37.35 2sh1 n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2sh1 s ALA 41 N -3.07 1.40 0.11 -1.28 0.00 0.39 -0.76 121.76 118.55 2sh1 s ALA 41 Ca 0.56 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.05 2sh1 s ALA 41 Cb 0.45 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2sh1 s ALA 41 CO 0.13 0.19 -0.18 0.16 0.00 0.00 0.00 175.76 176.06 2sh1 s ASP 42 N 0.40 2.29 -0.25 0.00 -4.77 -0.24 -1.39 116.67 112.71 2sh1 s ASP 42 Ca -0.11 -0.74 -0.16 0.00 -3.30 0.00 0.00 52.55 48.24 2sh1 s ASP 42 Cb -0.14 -0.11 -0.03 0.00 -1.09 0.00 0.00 42.92 41.54 2sh1 s ASP 42 CO 0.03 -0.03 0.43 0.00 0.70 0.00 0.00 175.17 176.31 2sh1 s ARG 45 N 0.01 2.80 -0.18 0.00 3.52 0.11 -0.40 118.95 124.81 2sh1 s ARG 45 Ca -0.00 -1.02 -0.29 0.00 -0.13 0.00 0.00 55.73 54.29 2sh1 s ARG 45 Cb -0.07 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2sh1 s ARG 45 CO 0.00 -0.46 1.18 0.21 -0.81 0.00 0.00 175.30 175.42 2sh1 s LYS 46 N 1.35 4.25 -0.86 5.12 2.20 -1.26 -0.82 119.74 129.71 2sh1 s LYS 46 Ca -0.01 1.55 -0.14 0.00 -0.36 0.00 0.00 55.97 57.01 2sh1 s LYS 46 Cb -0.17 -3.71 0.21 0.00 -1.51 0.00 0.00 37.83 32.65 2sh1 s LYS 46 CO -0.02 -0.66 0.84 0.15 -0.36 0.00 0.00 175.35 175.30 2sh1 s LYS 47 N 3.30 3.65 0.00 4.03 -0.14 0.71 -4.97 119.74 126.32 2sh1 s LYS 47 Ca 0.51 -2.43 0.28 0.00 -1.36 0.00 0.00 55.97 52.97 2sh1 s LYS 47 Cb -0.19 -4.50 1.06 0.00 -1.68 0.00 0.00 37.83 32.51 2sh1 s LYS 47 CO 0.12 -1.35 1.75 1.63 -0.76 0.00 0.00 175.35 176.74