#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 -2.68 -1.42 0.00 0.00 -1.26 -3.70 120.51 111.45 1shi n ALA 2 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1shi n ALA 2 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 -2.27 -2.47 0.00 5.02 -1.25 -4.88 118.16 112.30 1shi n LYS 4 Ca 0.00 1.81 -0.24 0.00 -2.02 0.00 0.00 58.31 57.87 1shi n LYS 4 Cb 0.54 -2.42 0.05 0.00 -0.02 0.00 0.00 35.03 33.18 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 -0.19 0.20 -1.43 0.00 2.03 -1.92 -3.16 116.42 111.95 1shi h ASP 6 Ca -0.44 -0.03 -0.49 0.00 -0.73 0.00 0.00 57.03 55.35 1shi h ASP 6 Cb 1.30 -0.05 -0.41 0.00 -0.83 0.00 0.00 39.33 39.33 1shi h ASP 6 CO 0.57 0.30 -0.96 0.47 -1.03 0.00 0.00 179.24 178.59 1shi n ASP 7 N -4.35 2.98 -0.34 4.15 8.00 -1.26 -4.89 116.55 120.85 1shi n ASP 7 Ca -0.01 -3.24 0.16 0.00 0.71 0.00 0.00 54.79 52.41 1shi n ASP 7 Cb 0.21 -0.51 0.36 0.00 -0.02 0.00 0.00 41.12 41.15 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 2.83 0.57 0.00 -1.24 4.11 -1.93 -3.47 114.58 115.45 1shi h GLU 8 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1shi h GLU 8 Cb 0.99 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1shi h GLU 8 CO 0.67 0.38 0.00 0.41 0.07 0.00 0.00 179.01 180.54 1shi n GLY 9 N -1.32 3.07 2.79 1.06 0.00 -1.26 -4.91 105.19 104.62 1shi n GLY 9 Ca 0.25 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.37 2.93 -0.20 1.61 -0.04 -1.26 -4.97 135.00 131.70 1shi n PRO 10 Ca 0.00 -2.71 -0.08 0.00 -0.04 0.00 0.00 63.50 60.68 1shi n PRO 10 Cb 0.00 -3.27 0.07 0.00 -0.04 0.00 0.00 33.50 30.26 1shi n PRO 10 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1shi n ASP 11 N 6.06 -1.73 0.00 3.54 9.92 -1.26 -5.02 116.55 128.06 1shi n ASP 11 Ca 0.51 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1shi n ASP 11 Cb 0.39 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 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 -3.33 0.00 -0.02 0.53 3.06 -1.26 -4.91 119.36 113.43 1shi n ILE 12 Ca 0.04 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.27 1shi n ILE 12 Cb 0.15 -0.42 -0.00 0.00 0.54 0.00 0.00 39.64 39.91 1shi n ILE 12 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1shi h ARG 13 N 0.00 0.00 0.00 9.51 9.65 -2.03 -3.50 114.38 128.02 1shi h ARG 13 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1shi h ARG 13 Cb 0.79 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1shi h ARG 13 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 179.97 183.02 1shi n THR 14 N -3.10 0.00 0.00 0.20 -2.24 -1.26 -5.18 114.28 102.71 1shi n THR 14 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1shi n THR 14 Cb 0.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shi n ALA 15 N -1.57 0.00 0.77 6.98 0.00 -1.26 -4.75 120.51 120.68 1shi n ALA 15 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1shi n ALA 15 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.60 1.54 -3.71 0.00 -0.04 -1.26 -4.90 135.00 126.02 1shi n PRO 16 Ca 0.00 -0.44 -0.25 0.00 -0.04 0.00 0.00 63.50 62.77 1shi n PRO 16 Cb 0.00 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.48 -0.62 1.53 4.32 -1.26 -4.79 117.00 113.77 1shi n LEU 17 Ca 0.04 -0.89 0.03 0.00 -0.02 0.00 0.00 56.01 55.17 1shi n LEU 17 Cb 0.37 -1.97 0.12 0.00 -1.62 0.00 0.00 43.42 40.32 1shi n LEU 17 CO 0.05 0.23 0.55 0.35 -1.22 0.00 0.00 177.39 177.35 1shi n THR 18 N -3.05 0.52 -5.14 -5.08 -2.24 -1.26 -4.80 114.28 93.22 1shi n THR 18 Ca -0.22 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 1shi n THR 18 Cb 0.63 -0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.77 1.15 -0.06 3.38 0.00 -1.26 -4.41 107.32 105.36 1shi s GLY 19 Ca 0.17 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 43.98 1shi s GLY 19 CO 0.09 -0.72 -0.25 -1.59 0.00 0.00 0.00 173.10 170.64 1shi s THR 20 N -0.36 2.04 -0.25 0.90 2.01 -0.72 -2.85 115.64 116.41 1shi s THR 20 Ca 0.04 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 1shi s THR 20 Cb -0.11 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1shi s THR 20 CO 0.01 0.57 0.08 -0.69 -0.69 0.00 0.00 174.62 173.90 1shi s VAL 21 N -0.13 4.45 -0.57 3.82 1.01 -1.24 -1.78 120.40 125.96 1shi s VAL 21 Ca -0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1shi s VAL 21 Cb -0.14 -3.08 0.15 0.00 0.00 0.00 0.00 36.38 33.30 1shi s VAL 21 CO 0.04 0.33 0.42 -1.81 0.00 0.00 0.00 175.10 174.08 1shi s ASP 22 N 1.58 5.64 0.24 3.32 1.01 -1.25 -4.06 116.67 123.14 1shi s ASP 22 Ca 0.06 -2.36 -0.28 0.00 0.71 0.00 0.00 52.55 50.68 1shi s ASP 22 Cb -0.15 -1.96 -0.16 0.00 1.01 0.00 0.00 42.92 41.66 1shi s ASP 22 CO 0.04 -0.55 0.74 0.18 0.21 0.00 0.00 175.17 175.80 1shi n LEU 23 N 4.25 0.10 0.00 1.23 4.77 -1.26 -1.32 117.00 124.78 1shi n LEU 23 Ca 0.01 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 1shi n LEU 23 Cb 0.41 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1shi n LEU 23 CO 0.37 -2.28 0.00 0.61 -1.33 0.00 0.00 177.39 174.76 1shi n GLY 24 N 1.65 2.36 0.00 -0.72 0.00 -1.26 -4.86 105.19 102.36 1shi n GLY 24 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1shi n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1shi n SER 25 N 2.97 0.00 -4.31 1.61 2.88 -0.43 -5.03 113.62 111.30 1shi n SER 25 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1shi n SER 25 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1shi s ASN 27 N -1.59 6.32 0.74 0.00 3.84 -1.26 -5.05 114.94 117.93 1shi s ASN 27 Ca 0.54 0.10 -0.15 0.00 0.21 0.00 0.00 52.86 53.56 1shi s ASN 27 Cb -0.25 -1.87 0.04 0.00 -0.55 0.00 0.00 41.25 38.62 1shi s ASN 27 CO 0.69 -0.07 1.22 0.00 -2.79 0.00 0.00 177.10 176.16 1shi s ALA 28 N -1.97 2.09 0.00 1.71 0.00 -1.26 -2.63 121.76 119.70 1shi s ALA 28 Ca 0.34 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1shi s ALA 28 Cb -0.09 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1shi s ALA 28 CO 0.29 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.53 1shi n GLY 29 N 0.49 2.12 3.87 0.00 0.00 -1.26 -5.02 105.19 105.39 1shi n GLY 29 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.31 2.89 0.00 1.61 0.52 -1.08 -3.72 118.94 116.85 1shi s TRP 30 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 56.10 55.80 1shi s TRP 30 Cb 0.00 -1.86 0.00 0.00 -1.15 0.00 0.00 33.47 30.46 1shi s TRP 30 CO 0.00 0.13 0.00 -1.91 0.02 0.00 0.00 176.95 175.19 1shi n GLU 31 N -1.42 1.94 -4.33 4.98 4.07 -0.71 -4.73 120.64 120.45 1shi n GLU 31 Ca -0.01 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.75 1shi n GLU 31 Cb 0.60 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.86 1shi n GLU 31 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1shi s LYS 32 N -1.81 3.68 -0.02 5.31 2.47 -1.26 -1.61 119.74 126.50 1shi s LYS 32 Ca 0.00 -0.48 0.03 0.00 -1.56 0.00 0.00 55.97 53.97 1shi s LYS 32 Cb 0.00 -2.96 -0.05 0.00 -1.46 0.00 0.00 37.83 33.36 1shi s LYS 32 CO 0.00 0.28 0.05 0.00 0.16 0.00 0.00 175.35 175.85 1shi s ALA 34 N -2.18 0.30 -0.87 0.00 0.00 0.29 -3.58 121.76 115.71 1shi s ALA 34 Ca -0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.69 1shi s ALA 34 Cb 0.02 -0.85 -0.22 0.00 0.00 0.00 0.00 23.12 22.07 1shi s ALA 34 CO 0.15 -0.86 2.42 -1.13 0.00 0.00 0.00 175.76 176.34 1shi n SER 35 N 5.29 0.35 0.00 0.00 3.41 -1.26 -4.22 113.62 117.19 1shi n SER 35 Ca -0.05 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1shi n SER 35 Cb 0.49 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1shi n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shi n TYR 36 N 11.39 0.00 0.00 7.33 9.36 -1.26 -5.00 117.16 138.98 1shi n TYR 36 Ca 0.58 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.80 1shi n TYR 36 Cb 0.23 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 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 3.98 0.00 -3.73 2.98 9.36 -1.24 -2.35 117.16 126.16 1shi n TYR 37 Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 1shi n TYR 37 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 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 1.61 -0.57 2.97 -1.32 -0.82 -4.98 115.64 112.53 1shi s THR 38 Ca 0.00 -1.39 0.22 0.00 -1.21 0.00 0.00 61.69 59.30 1shi s THR 38 Cb 0.00 -2.00 0.22 0.00 -1.51 0.00 0.00 72.50 69.21 1shi s THR 38 CO 0.00 0.00 1.66 -0.38 -2.21 0.00 0.00 174.62 173.69 1shi n ILE 39 N -1.92 0.87 -2.68 5.08 -0.00 -1.26 -3.23 119.36 116.22 1shi n ILE 39 Ca 0.02 0.24 0.00 0.00 -0.00 0.00 0.00 62.75 63.01 1shi n ILE 39 Cb 0.64 -1.14 0.04 0.00 -0.00 0.00 0.00 39.64 39.18 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 -2.10 0.95 -3.62 1.39 0.00 -1.26 -5.10 119.36 109.61 1shi n ILE 40 Ca 0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 62.75 60.35 1shi n ILE 40 Cb 0.21 1.08 -0.01 0.00 0.00 0.00 0.00 39.64 40.92 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 -2.61 -1.94 0.33 1.51 0.00 -1.20 -4.53 121.76 113.32 1shi s ALA 41 Ca 0.30 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.11 1shi s ALA 41 Cb 0.35 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 1shi s ALA 41 CO -0.08 -0.86 0.09 -0.51 0.00 0.00 0.00 175.76 174.40 1shi s ASP 42 N -2.67 2.09 -0.42 0.00 1.11 -1.26 -1.94 116.67 113.58 1shi s ASP 42 Ca 0.10 -1.47 0.02 0.00 0.18 0.00 0.00 52.55 51.38 1shi s ASP 42 Cb 0.00 0.16 0.13 0.00 1.07 0.00 0.00 42.92 44.29 1shi s ASP 42 CO -0.04 -0.74 0.22 0.00 1.18 0.00 0.00 175.17 175.79 1shi s ARG 45 N -4.44 0.04 -0.44 0.00 3.52 -0.63 -1.76 118.95 115.24 1shi s ARG 45 Ca 0.56 0.02 -0.41 0.00 -0.13 0.00 0.00 55.73 55.77 1shi s ARG 45 Cb -0.04 -1.56 -0.16 0.00 -1.56 0.00 0.00 34.95 31.63 1shi s ARG 45 CO 0.36 -0.61 2.11 1.17 -0.81 0.00 0.00 175.30 177.52 1shi n LYS 46 N 5.29 0.42 -0.59 5.12 4.81 -1.26 -1.74 118.16 130.21 1shi n LYS 46 Ca -0.06 0.12 -0.29 0.00 -0.87 0.00 0.00 58.31 57.20 1shi n LYS 46 Cb 0.49 -1.86 0.19 0.00 0.02 0.00 0.00 35.03 33.88 1shi n LYS 46 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1shi n LYS 47 N 7.47 -2.11 -0.57 1.64 2.85 -1.24 -4.81 118.16 121.38 1shi n LYS 47 Ca 0.48 -0.61 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1shi n LYS 47 Cb 0.06 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 1shi n LYS 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98