#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shi n ALA 2 N 0.00 -4.72 -2.00 0.00 0.00 -1.26 -1.81 120.51 110.71 1shi n ALA 2 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1shi n ALA 2 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1shi n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shi n LYS 4 N 0.00 -2.69 -4.03 0.00 5.02 -1.25 -4.63 118.16 110.59 1shi n LYS 4 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1shi n LYS 4 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1shi h ASP 6 N 4.44 0.00 -0.52 0.00 3.58 -1.71 -2.18 116.42 120.03 1shi h ASP 6 Ca -0.34 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.84 1shi h ASP 6 Cb 1.20 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.85 1shi h ASP 6 CO 0.43 0.00 -1.12 0.47 -2.88 0.00 0.00 179.24 176.14 1shi n ASP 7 N -2.79 1.69 0.24 2.28 8.00 -1.26 -4.86 116.55 119.85 1shi n ASP 7 Ca -0.02 -2.18 0.11 0.00 0.71 0.00 0.00 54.79 53.40 1shi n ASP 7 Cb 0.23 -0.48 0.59 0.00 -0.02 0.00 0.00 41.12 41.44 1shi n ASP 7 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1shi h GLU 8 N 2.64 0.00 0.00 -1.24 4.11 -1.77 -3.48 114.58 114.84 1shi h GLU 8 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1shi h GLU 8 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1shi h GLU 8 CO 0.24 0.19 0.00 0.41 0.07 0.00 0.00 179.01 179.93 1shi n GLY 9 N -0.35 2.87 0.11 1.06 0.00 -1.26 -4.90 105.19 102.71 1shi n GLY 9 Ca -0.01 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 1shi n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1shi h PRO 10 N 0.00 0.27 0.00 1.61 0.13 -2.01 -3.49 132.00 128.51 1shi h PRO 10 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1shi h PRO 10 Cb 0.00 0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1shi h PRO 10 CO 0.00 1.20 0.00 -0.25 -0.23 0.00 0.00 178.00 178.72 1shi n ASP 11 N -3.52 -0.91 0.00 1.44 9.92 -1.26 -4.83 116.55 117.39 1shi n ASP 11 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1shi n ASP 11 Cb 1.03 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.51 1shi n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1shi n ILE 12 N -0.11 0.00 0.00 0.53 0.00 -1.26 -4.98 119.36 113.54 1shi n ILE 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1shi n ILE 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 1shi n ILE 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1shi n ARG 13 N -1.43 0.00 -1.28 9.51 3.00 -1.26 -4.89 116.66 120.31 1shi n ARG 13 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 1shi n ARG 13 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 32.46 32.03 1shi n ARG 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1shi n THR 14 N -0.45 0.01 -1.49 0.55 -1.04 -1.26 -5.13 114.28 105.46 1shi n THR 14 Ca 0.00 -0.53 0.14 0.00 -2.04 0.00 0.00 64.05 61.62 1shi n THR 14 Cb 0.00 0.76 -0.08 0.00 -1.82 0.00 0.00 70.33 69.19 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1shi n ALA 15 N 0.22 -3.45 0.84 2.41 0.00 -1.26 -4.31 120.51 114.97 1shi n ALA 15 Ca -0.11 0.86 0.01 0.00 0.00 0.00 0.00 53.44 54.20 1shi n ALA 15 Cb 0.92 -1.58 0.06 0.00 0.00 0.00 0.00 19.45 18.85 1shi n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1shi n PRO 16 N -4.01 1.53 -4.20 0.00 -0.04 -1.26 -4.87 135.00 122.15 1shi n PRO 16 Ca -0.08 -0.45 -0.31 0.00 -0.04 0.00 0.00 63.50 62.62 1shi n PRO 16 Cb 0.65 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 1shi n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1shi n LEU 17 N 0.06 -1.54 0.30 1.53 7.99 -1.26 -4.71 117.00 119.36 1shi n LEU 17 Ca 0.04 -1.13 0.15 0.00 -0.01 0.00 0.00 56.01 55.06 1shi n LEU 17 Cb 0.35 -1.91 0.80 0.00 -0.11 0.00 0.00 43.42 42.55 1shi n LEU 17 CO 0.04 0.38 1.07 0.71 -1.51 0.00 0.00 177.39 178.09 1shi h THR 18 N -1.65 0.00 -3.11 -5.08 1.35 -1.88 -3.40 112.91 99.14 1shi h THR 18 Ca -0.63 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 64.77 1shi h THR 18 Cb 1.39 0.65 0.04 0.00 -1.73 0.00 0.00 68.15 68.50 1shi h THR 18 CO 0.71 0.00 0.03 -0.83 -0.25 0.00 0.00 175.52 175.18 1shi s GLY 19 N -3.71 1.62 0.07 5.82 0.00 -1.23 -4.35 107.32 105.54 1shi s GLY 19 Ca -0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 44.72 43.61 1shi s GLY 19 CO 0.27 -0.71 0.29 -1.59 0.00 0.00 0.00 173.10 171.36 1shi s THR 20 N -2.78 0.10 0.05 0.90 2.01 0.16 -2.60 115.64 113.49 1shi s THR 20 Ca 0.52 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1shi s THR 20 Cb -0.10 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1shi s THR 20 CO 0.41 -0.44 0.14 -0.69 -0.69 0.00 0.00 174.62 173.35 1shi s VAL 21 N -3.20 4.98 -0.22 3.82 1.01 -0.75 -0.59 120.40 125.44 1shi s VAL 21 Ca -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1shi s VAL 21 Cb 0.01 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 33.08 1shi s VAL 21 CO -0.07 0.18 0.07 -0.62 0.00 0.00 0.00 175.10 174.65 1shi s ASP 22 N -2.31 3.05 -0.47 3.32 2.15 -1.26 -4.42 116.67 116.73 1shi s ASP 22 Ca 0.31 -0.97 -0.26 0.00 0.43 0.00 0.00 52.55 52.05 1shi s ASP 22 Cb -0.13 -0.52 -0.06 0.00 -0.30 0.00 0.00 42.92 41.91 1shi s ASP 22 CO 0.23 -0.35 2.34 -0.76 -0.17 0.00 0.00 175.17 176.46 1shi s LEU 23 N 1.92 3.40 0.00 -1.34 2.01 -1.26 -3.17 118.68 120.24 1shi s LEU 23 Ca 0.03 1.11 0.00 0.00 0.01 0.00 0.00 54.13 55.28 1shi s LEU 23 Cb -0.17 -2.62 0.00 0.00 0.01 0.00 0.00 46.19 43.42 1shi s LEU 23 CO -0.15 -2.75 0.00 0.61 1.01 0.00 0.00 176.35 175.07 1shi n GLY 24 N 5.95 2.03 0.00 -3.19 0.00 -1.26 -5.07 105.19 103.65 1shi n GLY 24 Ca 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1shi n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1shi n SER 25 N 0.00 0.00 -3.05 1.61 3.41 -1.19 -5.04 113.62 109.37 1shi n SER 25 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1shi n SER 25 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shi s ASN 27 N -2.03 -0.20 0.72 0.00 0.02 -1.26 -5.11 114.94 107.08 1shi s ASN 27 Ca 0.10 -0.71 -0.16 0.00 -1.02 0.00 0.00 52.86 51.07 1shi s ASN 27 Cb -0.02 0.71 -0.00 0.00 0.02 0.00 0.00 41.25 41.96 1shi s ASN 27 CO 0.08 -1.33 0.86 0.00 0.02 0.00 0.00 177.10 176.73 1shi n ALA 28 N -0.45 -0.55 -1.01 0.60 0.00 -1.26 -2.21 120.51 115.62 1shi n ALA 28 Ca -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 1shi n ALA 28 Cb 0.60 -2.05 -0.00 0.00 0.00 0.00 0.00 19.45 17.99 1shi n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shi n GLY 29 N 1.23 0.47 3.44 0.00 0.00 -1.26 -5.01 105.19 104.05 1shi n GLY 29 Ca 0.12 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1shi n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1shi s TRP 30 N -1.94 1.97 -0.23 1.61 0.52 -0.94 -2.33 118.94 117.60 1shi s TRP 30 Ca 0.00 -0.71 -0.04 0.00 0.02 0.00 0.00 56.10 55.37 1shi s TRP 30 Cb 0.00 -1.14 0.09 0.00 -1.15 0.00 0.00 33.47 31.27 1shi s TRP 30 CO 0.00 0.27 0.17 -2.00 0.02 0.00 0.00 176.95 175.41 1shi s GLU 31 N -3.74 0.18 -0.23 4.98 2.56 -0.19 -4.60 118.70 117.66 1shi s GLU 31 Ca 0.30 -0.14 -0.42 0.00 0.00 0.00 0.00 54.97 54.70 1shi s GLU 31 Cb 0.04 -1.28 -0.19 0.00 2.00 0.00 0.00 34.13 34.71 1shi s GLU 31 CO 0.12 -0.83 1.41 1.17 -0.56 0.00 0.00 175.26 176.58 1shi n LYS 32 N 5.29 0.31 0.00 4.30 4.81 -1.26 -1.70 118.16 129.91 1shi n LYS 32 Ca -0.05 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1shi n LYS 32 Cb 0.47 -1.66 -0.00 0.00 0.02 0.00 0.00 35.03 33.86 1shi n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi s ALA 34 N -0.88 0.49 -0.90 0.00 0.00 -0.98 -1.62 121.76 117.88 1shi s ALA 34 Ca 0.01 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 1shi s ALA 34 Cb 0.01 -1.17 -0.23 0.00 0.00 0.00 0.00 23.12 21.73 1shi s ALA 34 CO 0.03 -1.36 2.46 0.43 0.00 0.00 0.00 175.76 177.32 1shi n SER 35 N 5.27 0.20 0.00 0.00 7.64 -1.26 -4.33 113.62 121.14 1shi n SER 35 Ca -0.07 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1shi n SER 35 Cb 0.46 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1shi n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1shi n TYR 36 N 10.65 0.00 0.00 1.43 9.36 -1.26 -5.01 117.16 132.32 1shi n TYR 36 Ca 0.60 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.82 1shi n TYR 36 Cb 0.18 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.91 1shi n TYR 36 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1shi n TYR 37 N 3.48 0.00 -3.30 2.98 9.36 -1.23 -3.02 117.16 125.44 1shi n TYR 37 Ca 0.00 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.00 1shi n TYR 37 Cb 0.00 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.75 1shi n TYR 37 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1shi s THR 38 N 0.00 1.94 -0.82 2.97 -1.32 -0.62 -4.97 115.64 112.82 1shi s THR 38 Ca 0.00 -1.15 0.18 0.00 -1.21 0.00 0.00 61.69 59.52 1shi s THR 38 Cb 0.00 -2.08 0.17 0.00 -1.51 0.00 0.00 72.50 69.08 1shi s THR 38 CO 0.00 0.00 1.57 -0.38 -2.21 0.00 0.00 174.62 173.60 1shi n ILE 39 N -2.13 0.90 -2.61 5.08 2.08 -1.26 -3.17 119.36 118.25 1shi n ILE 39 Ca 0.11 0.22 0.02 0.00 0.56 0.00 0.00 62.75 63.66 1shi n ILE 39 Cb 0.63 -1.03 0.04 0.00 -0.75 0.00 0.00 39.64 38.52 1shi n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1shi n ILE 40 N -1.77 0.64 -3.63 1.39 0.00 -1.26 -5.10 119.36 109.64 1shi n ILE 40 Ca 0.03 -1.93 -0.03 0.00 0.00 0.00 0.00 62.75 60.83 1shi n ILE 40 Cb 0.20 1.06 -0.01 0.00 0.00 0.00 0.00 39.64 40.89 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1shi s ALA 41 N -1.76 -2.00 0.00 1.51 0.00 -1.19 -4.87 121.76 113.45 1shi s ALA 41 Ca 0.31 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1shi s ALA 41 Cb 0.36 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1shi s ALA 41 CO -0.11 -0.88 0.00 -3.47 0.00 0.00 0.00 175.76 171.30 1shi n ASP 42 N -0.35 0.80 -2.91 0.00 -0.08 -1.26 -1.59 116.55 111.16 1shi n ASP 42 Ca -0.06 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.19 1shi n ASP 42 Cb 0.61 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1shi s ARG 45 N -2.51 3.19 -0.86 0.00 3.52 -0.69 -0.66 118.95 120.95 1shi s ARG 45 Ca 0.35 -0.80 -0.19 0.00 -0.13 0.00 0.00 55.73 54.96 1shi s ARG 45 Cb -0.13 -3.45 -0.21 0.00 -1.56 0.00 0.00 34.95 29.60 1shi s ARG 45 CO 0.28 -0.43 2.26 1.17 -0.81 0.00 0.00 175.30 177.77 1shi n LYS 46 N 4.91 0.32 -0.96 5.12 4.81 -1.26 -1.02 118.16 130.08 1shi n LYS 46 Ca -0.14 -0.56 0.11 0.00 -0.87 0.00 0.00 58.31 56.85 1shi n LYS 46 Cb 0.48 -2.66 -0.03 0.00 0.02 0.00 0.00 35.03 32.84 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1shi n LYS 47 N 7.45 -1.79 -0.91 1.64 5.02 -0.99 -4.89 118.16 123.69 1shi n LYS 47 Ca 0.53 1.26 0.00 0.00 -2.02 0.00 0.00 58.31 58.08 1shi n LYS 47 Cb 0.33 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 1shi n LYS 47 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05