#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shi s ALA 2 N 0.00 0.83 0.00 0.00 0.00 -1.26 -1.35 121.76 119.98 1shi s ALA 2 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1shi s ALA 2 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1shi s ALA 2 CO 0.00 0.15 0.58 0.00 0.00 0.00 0.00 175.76 176.49 1shi n LYS 4 N 0.00 -0.49 -3.62 0.00 4.81 -1.24 -4.68 118.16 112.94 1shi n LYS 4 Ca -0.02 0.32 -0.31 0.00 -0.87 0.00 0.00 58.31 57.43 1shi n LYS 4 Cb 0.53 -0.60 -0.05 0.00 0.02 0.00 0.00 35.03 34.94 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 2.74 0.21 -1.24 0.00 3.58 -1.84 -3.25 116.42 116.62 1shi h ASP 6 Ca -0.46 0.09 -0.21 0.00 0.42 0.00 0.00 57.03 56.86 1shi h ASP 6 Cb 1.17 0.07 -0.20 0.00 1.72 0.00 0.00 39.33 42.08 1shi h ASP 6 CO 0.72 -0.08 -0.56 -1.81 -2.88 0.00 0.00 179.24 174.63 1shi s ASP 7 N -4.66 -0.92 0.00 2.28 1.11 -1.26 -5.06 116.67 108.16 1shi s ASP 7 Ca -0.07 -1.77 0.00 0.00 0.18 0.00 0.00 52.55 50.89 1shi s ASP 7 Cb 0.27 1.52 0.00 0.00 1.07 0.00 0.00 42.92 45.78 1shi s ASP 7 CO 0.83 -0.10 0.69 -0.62 1.18 0.00 0.00 175.17 177.14 1shi n GLU 8 N 3.22 0.00 -0.00 8.23 1.02 -1.23 -5.04 120.64 126.84 1shi n GLU 8 Ca 0.18 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1shi n GLU 8 Cb 0.54 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 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 -0.40 1.00 2.52 0.62 0.00 -1.26 -5.03 105.19 102.64 1shi n GLY 9 Ca 0.00 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 3.34 -2.25 1.61 -0.04 -1.26 -4.78 135.00 131.62 1shi n PRO 10 Ca 0.00 -2.46 -0.39 0.00 -0.04 0.00 0.00 63.50 60.61 1shi n PRO 10 Cb 0.00 -3.02 0.01 0.00 -0.04 0.00 0.00 33.50 30.45 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 4.68 7.49 0.25 3.54 8.00 -1.26 -4.70 116.55 134.55 1shi n ASP 11 Ca 0.65 -3.54 0.15 0.00 0.71 0.00 0.00 54.79 52.76 1shi n ASP 11 Cb 0.31 -1.21 0.78 0.00 -0.02 0.00 0.00 41.12 40.98 1shi n ASP 11 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1shi h ILE 12 N 2.25 0.00 0.00 0.53 2.10 -2.06 -3.19 117.51 117.14 1shi h ILE 12 Ca 0.57 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.51 1shi h ILE 12 Cb 0.30 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 1shi h ILE 12 CO 1.27 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 178.88 1shi n ARG 13 N -2.59 0.00 -3.75 2.19 1.74 -1.26 -5.03 116.66 107.95 1shi n ARG 13 Ca -0.02 0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 57.03 1shi n ARG 13 Cb 0.17 -0.49 -0.10 0.00 -1.02 0.00 0.00 32.46 31.02 1shi n ARG 13 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1shi s THR 14 N -0.29 0.01 0.10 0.55 -1.32 -1.21 -5.16 115.64 108.33 1shi s THR 14 Ca 0.00 -0.09 -0.02 0.00 -1.21 0.00 0.00 61.69 60.36 1shi s THR 14 Cb 0.00 -0.53 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 1shi s THR 14 CO 0.00 -0.05 0.29 0.00 -2.21 0.00 0.00 174.62 172.64 1shi s ALA 15 N -0.13 3.91 -1.17 11.08 0.00 -1.26 -4.89 121.76 129.31 1shi s ALA 15 Ca -0.03 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1shi s ALA 15 Cb -0.03 -1.96 0.10 0.00 0.00 0.00 0.00 23.12 21.23 1shi s ALA 15 CO 0.01 0.76 0.76 -0.35 0.00 0.00 0.00 175.76 176.94 1shi n PRO 16 N 0.19 1.45 -3.82 0.00 -0.04 -1.26 -4.90 135.00 126.62 1shi n PRO 16 Ca -0.04 -0.40 -0.33 0.00 -0.04 0.00 0.00 63.50 62.69 1shi n PRO 16 Cb 0.51 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.01 -1.83 -0.86 1.53 7.99 -1.26 -4.79 117.00 117.80 1shi n LEU 17 Ca 0.04 -1.04 0.03 0.00 -0.01 0.00 0.00 56.01 55.02 1shi n LEU 17 Cb 0.31 -1.92 0.14 0.00 -0.11 0.00 0.00 43.42 41.84 1shi n LEU 17 CO 0.04 0.46 0.52 0.35 -1.51 0.00 0.00 177.39 177.25 1shi n THR 18 N -3.85 0.82 -4.52 -5.08 -2.24 -1.26 -4.77 114.28 93.38 1shi n THR 18 Ca -0.17 -0.47 -0.31 0.00 -2.27 0.00 0.00 64.05 60.84 1shi n THR 18 Cb 0.61 -0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.50 1.66 -0.10 3.38 0.00 -1.25 -4.47 107.32 106.05 1shi s GLY 19 Ca 0.19 -1.16 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 1shi s GLY 19 CO 0.08 -1.06 0.20 -1.59 0.00 0.00 0.00 173.10 170.73 1shi s THR 20 N -1.00 -0.22 -0.10 0.90 2.01 -0.29 -3.05 115.64 113.90 1shi s THR 20 Ca 0.16 0.27 -0.11 0.00 0.31 0.00 0.00 61.69 62.32 1shi s THR 20 Cb -0.11 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 1shi s THR 20 CO 0.07 0.11 0.25 -0.69 -0.69 0.00 0.00 174.62 173.68 1shi s VAL 21 N 1.92 5.31 -0.22 3.82 1.01 -0.46 -1.99 120.40 129.80 1shi s VAL 21 Ca -0.02 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1shi s VAL 21 Cb -0.12 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.77 1shi s VAL 21 CO -0.07 0.55 -0.04 -1.81 0.00 0.00 0.00 175.10 173.73 1shi s ASP 22 N -0.66 3.62 -0.51 3.32 1.11 -1.24 -0.83 116.67 121.48 1shi s ASP 22 Ca 0.18 -1.07 -0.26 0.00 0.18 0.00 0.00 52.55 51.57 1shi s ASP 22 Cb -0.14 -1.09 -0.08 0.00 1.07 0.00 0.00 42.92 42.69 1shi s ASP 22 CO 0.06 -0.23 2.43 0.18 1.18 0.00 0.00 175.17 178.79 1shi n LEU 23 N 4.74 2.25 0.00 1.23 4.32 -1.26 -3.60 117.00 124.67 1shi n LEU 23 Ca -0.12 -0.54 0.00 0.00 -0.02 0.00 0.00 56.01 55.33 1shi n LEU 23 Cb 0.45 -1.58 0.00 0.00 -1.62 0.00 0.00 43.42 40.67 1shi n LEU 23 CO 0.17 -1.61 0.00 0.61 -1.22 0.00 0.00 177.39 175.34 1shi n GLY 24 N 6.05 -0.80 0.00 -0.72 0.00 -1.26 -5.10 105.19 103.36 1shi n GLY 24 Ca 0.38 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -4.50 1.61 3.41 -1.24 -5.03 113.62 107.87 1shi n SER 25 Ca 0.00 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.13 1shi n SER 25 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.61 4.96 0.77 0.00 3.84 -1.26 -5.06 114.94 117.58 1shi s ASN 27 Ca 0.65 -0.94 -0.12 0.00 0.21 0.00 0.00 52.86 52.66 1shi s ASN 27 Cb -0.86 0.09 0.06 0.00 -0.55 0.00 0.00 41.25 40.00 1shi s ASN 27 CO 0.57 -1.07 1.12 0.00 -2.79 0.00 0.00 177.10 174.93 1shi s ALA 28 N -2.64 2.11 0.00 1.71 0.00 -1.26 -3.05 121.76 118.63 1shi s ALA 28 Ca 0.48 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1shi s ALA 28 Cb -0.04 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1shi s ALA 28 CO 0.30 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.57 1shi n GLY 29 N -0.57 1.94 3.79 0.00 0.00 -1.26 -5.02 105.19 104.08 1shi n GLY 29 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.59 3.24 -0.54 1.61 0.52 -1.17 -2.69 118.94 117.31 1shi s TRP 30 Ca 0.00 0.12 -0.04 0.00 0.02 0.00 0.00 56.10 56.20 1shi s TRP 30 Cb 0.00 -1.65 0.14 0.00 -1.15 0.00 0.00 33.47 30.81 1shi s TRP 30 CO 0.00 0.53 0.36 -1.21 0.02 0.00 0.00 176.95 176.65 1shi s GLU 31 N -2.31 2.39 0.07 4.98 0.41 -0.55 -4.85 118.70 118.85 1shi s GLU 31 Ca 0.29 -2.19 -0.37 0.00 -0.41 0.00 0.00 54.97 52.29 1shi s GLU 31 Cb -0.12 -3.73 -0.18 0.00 -1.78 0.00 0.00 34.13 28.32 1shi s GLU 31 CO 0.21 -1.14 1.10 1.17 -0.49 0.00 0.00 175.26 176.11 1shi n LYS 32 N 4.06 0.49 -0.00 1.61 4.81 -1.26 -1.56 118.16 126.30 1shi n LYS 32 Ca 0.03 0.18 0.07 0.00 -0.87 0.00 0.00 58.31 57.71 1shi n LYS 32 Cb 0.40 -1.66 -0.09 0.00 0.02 0.00 0.00 35.03 33.69 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 -2.55 0.07 0.58 0.00 0.00 -1.17 -3.90 121.76 114.79 1shi s ALA 34 Ca 0.01 0.26 0.33 0.00 0.00 0.00 0.00 51.96 52.57 1shi s ALA 34 Cb 0.10 -0.21 1.31 0.00 0.00 0.00 0.00 23.12 24.32 1shi s ALA 34 CO 0.57 -0.09 1.57 0.77 0.00 0.00 0.00 175.76 178.58 1shi h SER 35 N 7.12 0.00 0.00 0.00 0.02 -1.92 -3.42 113.55 115.35 1shi h SER 35 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1shi h SER 35 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1shi h SER 35 CO 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.17 1shi n TYR 36 N -3.63 0.00 0.00 3.45 4.19 -1.26 -5.01 117.16 114.90 1shi n TYR 36 Ca 0.24 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.45 1shi n TYR 36 Cb 1.38 0.00 0.00 0.00 0.49 0.00 0.00 39.34 41.21 1shi n TYR 36 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 1shi n TYR 37 N 0.00 0.00 -3.42 2.98 9.36 -1.26 -3.19 117.16 121.64 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 0.03 0.00 -0.63 0.00 0.00 39.34 38.74 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 -1.44 2.97 -1.32 -1.04 -4.98 115.64 111.77 1shi s THR 38 Ca 0.00 -1.22 0.24 0.00 -1.21 0.00 0.00 61.69 59.50 1shi s THR 38 Cb 0.00 -2.16 0.43 0.00 -1.51 0.00 0.00 72.50 69.25 1shi s THR 38 CO 0.00 0.00 1.81 -0.38 -2.21 0.00 0.00 174.62 173.84 1shi n ILE 39 N -2.02 0.22 -2.49 5.08 5.41 -1.26 -3.42 119.36 120.88 1shi n ILE 39 Ca 0.08 0.06 0.03 0.00 1.00 0.00 0.00 62.75 63.91 1shi n ILE 39 Cb 0.63 -0.66 0.02 0.00 -0.71 0.00 0.00 39.64 38.92 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 -1.28 0.10 -3.71 1.39 3.06 -1.26 -5.11 119.36 112.55 1shi n ILE 40 Ca 0.12 -1.07 -0.01 0.00 -2.50 0.00 0.00 62.75 59.28 1shi n ILE 40 Cb 0.19 0.99 -0.01 0.00 0.54 0.00 0.00 39.64 41.35 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1shi s ALA 41 N -0.29 -1.90 0.12 1.51 0.00 -1.22 -4.65 121.76 115.33 1shi s ALA 41 Ca 0.31 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1shi s ALA 41 Cb 0.36 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 1shi s ALA 41 CO -0.15 -1.05 -0.09 0.34 0.00 0.00 0.00 175.76 174.81 1shi s ASP 42 N -2.98 1.50 -0.50 0.00 2.15 -1.26 -2.49 116.67 113.09 1shi s ASP 42 Ca 0.13 -0.98 -0.09 0.00 0.43 0.00 0.00 52.55 52.05 1shi s ASP 42 Cb 0.01 0.03 0.13 0.00 -0.30 0.00 0.00 42.92 42.79 1shi s ASP 42 CO -0.00 -0.37 0.37 0.00 -0.17 0.00 0.00 175.17 175.00 1shi s ARG 45 N -2.48 1.56 0.29 0.00 3.00 -0.60 -1.14 118.95 119.58 1shi s ARG 45 Ca 0.26 -1.84 -0.26 0.00 -1.00 0.00 0.00 55.73 52.88 1shi s ARG 45 Cb -0.11 -3.22 -0.15 0.00 0.00 0.00 0.00 34.95 31.47 1shi s ARG 45 CO 0.18 -0.93 0.59 1.17 0.00 0.00 0.00 175.30 176.31 1shi n LYS 46 N 4.28 0.44 -0.59 5.12 4.81 -1.26 -1.48 118.16 129.48 1shi n LYS 46 Ca 0.03 0.15 -0.30 0.00 -0.87 0.00 0.00 58.31 57.32 1shi n LYS 46 Cb 0.42 -1.30 0.21 0.00 0.02 0.00 0.00 35.03 34.38 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 0.89 -1.86 -0.34 1.64 5.02 -1.10 -4.71 118.16 117.70 1shi n LYS 47 Ca 0.14 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 1shi n LYS 47 Cb 0.31 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1shi n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51