#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 -1.36 -0.83 0.00 0.00 -1.26 -2.67 120.51 114.38 1shi n ALA 2 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1shi n ALA 2 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 -0.04 -1.05 -4.13 0.00 4.81 -1.26 -4.84 118.16 111.65 1shi n LYS 4 Ca 0.00 0.69 -0.09 0.00 -0.87 0.00 0.00 58.31 58.04 1shi n LYS 4 Cb 0.34 -1.28 -0.10 0.00 0.02 0.00 0.00 35.03 34.01 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi h ASP 6 N 2.99 0.00 -0.87 0.00 3.58 -1.93 -1.75 116.42 118.43 1shi h ASP 6 Ca -0.35 0.00 0.20 0.00 0.42 0.00 0.00 57.03 57.31 1shi h ASP 6 Cb 1.17 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.16 1shi h ASP 6 CO 0.63 0.00 0.59 -2.24 -2.88 0.00 0.00 179.24 175.34 1shi h ASP 7 N 0.00 0.34 0.00 2.28 2.03 -1.94 -0.62 116.42 118.50 1shi h ASP 7 Ca 0.00 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1shi h ASP 7 Cb 0.12 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1shi h ASP 7 CO 0.00 0.14 -1.68 -0.62 -1.03 0.00 0.00 179.24 176.04 1shi n GLU 8 N -4.47 0.64 0.00 4.15 1.02 -0.67 -5.05 120.64 116.26 1shi n GLU 8 Ca 0.18 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1shi n GLU 8 Cb 0.72 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1shi n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1shi n GLY 9 N 1.45 0.98 2.62 0.62 0.00 -0.24 -2.48 105.19 108.14 1shi n GLY 9 Ca -0.02 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1shi n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shi n PRO 10 N 1.98 3.11 -0.90 1.61 -0.04 -1.26 -4.98 135.00 134.52 1shi n PRO 10 Ca 0.00 -2.51 -0.36 0.00 -0.04 0.00 0.00 63.50 60.58 1shi n PRO 10 Cb 0.00 -3.15 0.08 0.00 -0.04 0.00 0.00 33.50 30.39 1shi n PRO 10 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1shi n ASP 11 N 5.35 -3.27 0.00 3.54 5.68 -1.03 -4.88 116.55 121.94 1shi n ASP 11 Ca 0.59 0.02 -0.17 0.00 -0.50 0.00 0.00 54.79 54.73 1shi n ASP 11 Cb 0.35 -0.72 -0.12 0.00 -1.14 0.00 0.00 41.12 39.49 1shi n ASP 11 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1shi h ILE 12 N -1.33 1.50 0.00 2.12 -0.00 -1.94 -3.43 117.51 114.44 1shi h ILE 12 Ca -0.44 -2.17 0.00 0.00 -0.00 0.00 0.00 64.86 62.25 1shi h ILE 12 Cb 1.36 2.82 0.00 0.00 -0.00 0.00 0.00 36.82 41.01 1shi h ILE 12 CO 0.27 0.61 0.00 0.54 -0.00 0.00 0.00 178.15 179.57 1shi n ARG 13 N -4.29 0.00 -1.31 2.19 1.74 -1.26 -5.11 116.66 108.62 1shi n ARG 13 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1shi n ARG 13 Cb 0.66 -0.09 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1shi n ARG 13 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1shi n THR 14 N -0.36 0.00 -4.08 0.55 -2.24 -1.26 -5.18 114.28 101.71 1shi n THR 14 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1shi n THR 14 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shi s ALA 15 N -1.50 0.51 -1.40 6.98 0.00 -1.26 -4.76 121.76 120.33 1shi s ALA 15 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1shi s ALA 15 Cb 0.00 0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.21 1shi s ALA 15 CO 0.00 0.00 0.83 -0.35 0.00 0.00 0.00 175.76 176.24 1shi n PRO 16 N 1.82 1.32 -3.82 0.00 -0.04 -1.26 -4.90 135.00 128.12 1shi n PRO 16 Ca -0.20 -0.32 -0.33 0.00 -0.04 0.00 0.00 63.50 62.61 1shi n PRO 16 Cb 0.55 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.08 -1.86 -0.93 1.53 4.32 -1.26 -4.79 117.00 113.93 1shi n LEU 17 Ca 0.03 -1.04 0.03 0.00 -0.02 0.00 0.00 56.01 55.01 1shi n LEU 17 Cb 0.23 -1.93 0.15 0.00 -1.62 0.00 0.00 43.42 40.25 1shi n LEU 17 CO 0.03 0.45 0.52 0.35 -1.22 0.00 0.00 177.39 177.52 1shi n THR 18 N -3.82 0.92 -3.92 -5.08 -2.24 -1.26 -4.56 114.28 94.31 1shi n THR 18 Ca -0.17 -0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 60.86 1shi n THR 18 Cb 0.61 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 1shi n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1shi s GLY 19 N -0.45 2.33 0.02 3.38 0.00 -1.26 -4.74 107.32 106.59 1shi s GLY 19 Ca 0.21 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1shi s GLY 19 CO 0.08 -1.88 -0.03 -1.59 0.00 0.00 0.00 173.10 169.68 1shi s THR 20 N -2.64 0.11 -0.05 0.90 2.01 -0.10 -3.75 115.64 112.12 1shi s THR 20 Ca 0.39 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1shi s THR 20 Cb -0.00 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.28 1shi s THR 20 CO 0.23 -0.49 0.00 -0.69 -0.69 0.00 0.00 174.62 172.98 1shi s VAL 21 N -1.44 0.26 0.00 3.82 1.01 -1.09 -0.41 120.40 122.55 1shi s VAL 21 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1shi s VAL 21 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1shi s VAL 21 CO -0.01 0.21 0.00 0.47 0.00 0.00 0.00 175.10 175.77 1shi n ASP 22 N 4.68 0.00 0.00 3.32 8.00 -1.26 -0.52 116.55 130.77 1shi n ASP 22 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1shi n ASP 22 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1shi n ASP 22 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1shi n LEU 23 N 0.00 0.00 0.00 0.64 7.94 -1.26 -4.87 117.00 119.45 1shi n LEU 23 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1shi n LEU 23 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1shi n LEU 23 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1shi n GLY 24 N 0.00 2.05 3.02 -3.96 0.00 -1.08 -4.98 105.19 100.23 1shi n GLY 24 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1shi n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1shi s SER 25 N -2.71 -0.47 -0.37 1.61 0.15 -1.26 -4.79 113.70 105.86 1shi s SER 25 Ca 0.00 0.29 -0.43 0.00 0.70 0.00 0.00 55.95 56.51 1shi s SER 25 Cb 0.00 1.55 -0.17 0.00 -1.71 0.00 0.00 66.02 65.69 1shi s SER 25 CO 0.00 -0.30 1.69 0.00 1.20 0.00 0.00 173.24 175.83 1shi n ASN 27 N 4.84 -4.08 -4.30 0.00 6.94 -1.26 -4.74 115.26 112.66 1shi n ASN 27 Ca 0.28 0.41 -0.33 0.00 -0.02 0.00 0.00 54.58 54.92 1shi n ASN 27 Cb 0.05 -0.91 0.14 0.00 -2.36 0.00 0.00 39.78 36.70 1shi n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1shi n ALA 28 N -2.29 -3.69 0.00 -2.53 0.00 -1.26 -3.15 120.51 107.59 1shi n ALA 28 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1shi n ALA 28 Cb 0.52 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.97 1.61 3.61 0.00 0.00 -1.26 -5.03 105.19 106.09 1shi n GLY 29 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.38 2.70 -0.19 1.61 0.52 -1.19 -1.24 118.94 118.77 1shi s TRP 30 Ca 0.00 -0.20 0.01 0.00 0.02 0.00 0.00 56.10 55.93 1shi s TRP 30 Cb 0.00 -1.28 0.03 0.00 -1.15 0.00 0.00 33.47 31.07 1shi s TRP 30 CO 0.00 0.55 -0.16 -1.83 0.02 0.00 0.00 176.95 175.53 1shi s GLU 31 N -3.10 2.55 1.00 4.98 -1.05 -0.91 -4.89 118.70 117.27 1shi s GLU 31 Ca 0.27 -0.87 -0.18 0.00 -0.15 0.00 0.00 54.97 54.04 1shi s GLU 31 Cb -0.08 -2.51 -0.11 0.00 -0.44 0.00 0.00 34.13 30.98 1shi s GLU 31 CO 0.17 -0.32 -0.65 1.17 0.95 0.00 0.00 175.26 176.58 1shi n LYS 32 N 4.63 -0.11 0.00 -4.83 4.81 -1.26 -1.77 118.16 119.63 1shi n LYS 32 Ca -0.18 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1shi n LYS 32 Cb 0.48 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 -1.93 2.73 0.59 0.00 0.00 -1.20 -4.28 121.76 117.67 1shi s ALA 34 Ca 0.00 -0.94 0.34 0.00 0.00 0.00 0.00 51.96 51.36 1shi s ALA 34 Cb 0.00 -1.08 1.30 0.00 0.00 0.00 0.00 23.12 23.34 1shi s ALA 34 CO 0.00 0.49 1.55 0.66 0.00 0.00 0.00 175.76 178.47 1shi h SER 35 N 5.61 0.00 -0.51 0.00 4.64 -1.96 -3.20 113.55 118.13 1shi h SER 35 Ca -0.43 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.76 1shi h SER 35 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1shi h SER 35 CO 0.52 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 176.10 1shi n TYR 36 N -3.62 -2.85 0.00 4.77 9.36 -1.26 -5.05 117.16 118.51 1shi n TYR 36 Ca 0.25 -1.27 0.00 0.00 3.32 0.00 0.00 57.90 60.20 1shi n TYR 36 Cb 1.42 1.40 0.00 0.00 -0.63 0.00 0.00 39.34 41.53 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 2.43 0.00 -3.90 2.98 9.36 -1.17 -4.81 117.16 122.05 1shi n TYR 37 Ca 0.13 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.09 1shi n TYR 37 Cb 0.61 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.31 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 1.59 -0.49 2.97 -1.32 -0.96 -4.95 115.64 112.48 1shi s THR 38 Ca 0.00 -1.49 0.19 0.00 -1.21 0.00 0.00 61.69 59.18 1shi s THR 38 Cb 0.00 -2.08 0.20 0.00 -1.51 0.00 0.00 72.50 69.10 1shi s THR 38 CO 0.00 0.00 1.59 -0.38 -2.21 0.00 0.00 174.62 173.62 1shi n ILE 39 N -1.79 1.04 -2.60 5.08 -0.00 -1.26 -2.61 119.36 117.23 1shi n ILE 39 Ca -0.02 0.44 -0.02 0.00 -0.00 0.00 0.00 62.75 63.15 1shi n ILE 39 Cb 0.64 -1.39 0.05 0.00 -0.00 0.00 0.00 39.64 38.94 1shi n ILE 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1shi n ILE 40 N -2.09 1.26 -3.68 1.39 0.00 -1.26 -5.04 119.36 109.94 1shi n ILE 40 Ca 0.01 -2.77 -0.03 0.00 0.00 0.00 0.00 62.75 59.96 1shi n ILE 40 Cb 0.13 0.83 -0.01 0.00 0.00 0.00 0.00 39.64 40.58 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 -3.04 -1.82 0.00 1.51 0.00 -1.07 -2.63 121.76 114.71 1shi s ALA 41 Ca 0.32 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1shi s ALA 41 Cb 0.35 0.51 0.11 0.00 0.00 0.00 0.00 23.12 24.09 1shi s ALA 41 CO -0.05 -0.96 1.04 -3.47 0.00 0.00 0.00 175.76 172.31 1shi n ASP 42 N -0.42 0.25 -3.35 0.00 -0.08 -1.26 -2.26 116.55 109.43 1shi n ASP 42 Ca -0.07 -2.00 -0.29 0.00 -1.51 0.00 0.00 54.79 50.92 1shi n ASP 42 Cb 0.61 -0.22 0.03 0.00 2.34 0.00 0.00 41.12 43.88 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 -0.22 3.66 0.34 0.00 3.52 -0.73 -0.93 118.95 124.59 1shi s ARG 45 Ca 0.11 -0.50 -0.25 0.00 -0.13 0.00 0.00 55.73 54.97 1shi s ARG 45 Cb -0.12 -3.09 -0.14 0.00 -1.56 0.00 0.00 34.95 30.04 1shi s ARG 45 CO 0.01 0.04 0.53 1.17 -0.81 0.00 0.00 175.30 176.24 1shi n LYS 46 N 4.17 0.45 -2.76 5.12 4.81 -1.26 -2.15 118.16 126.53 1shi n LYS 46 Ca -0.17 0.16 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 1shi n LYS 46 Cb 0.52 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1shi n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1shi n LYS 47 N 0.85 3.35 0.00 1.64 4.81 -0.37 -4.78 118.16 123.66 1shi n LYS 47 Ca 0.13 -3.66 0.00 0.00 -0.87 0.00 0.00 58.31 53.90 1shi n LYS 47 Cb 0.35 -3.12 0.00 0.00 0.02 0.00 0.00 35.03 32.28 1shi n LYS 47 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20