#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mon s GLU 2 N 0.00 3.03 0.02 1.61 2.12 -1.17 -4.87 118.70 119.43 3mon s GLU 2 Ca 0.00 1.15 0.01 0.00 0.36 0.00 0.00 54.97 56.48 3mon s GLU 2 Cb 0.00 -2.00 -0.01 0.00 0.26 0.00 0.00 34.13 32.38 3mon s GLU 2 CO 0.00 -1.04 -0.04 -1.58 -0.54 0.00 0.00 175.26 172.06 3mon s TRP 3 N -2.67 0.35 0.20 5.30 0.52 -1.26 -1.44 118.94 119.94 3mon s TRP 3 Ca 0.62 -0.34 -0.22 0.00 0.02 0.00 0.00 56.10 56.19 3mon s TRP 3 Cb -0.16 -0.23 0.05 0.00 -1.15 0.00 0.00 33.47 31.98 3mon s TRP 3 CO 0.45 -0.09 0.62 -1.83 0.02 0.00 0.00 176.95 176.12 3mon s GLU 4 N -0.97 1.45 -0.26 4.98 -1.05 0.10 -4.98 118.70 117.96 3mon s GLU 4 Ca -0.08 -0.69 -0.15 0.00 -0.15 0.00 0.00 54.97 53.91 3mon s GLU 4 Cb -0.07 0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 3mon s GLU 4 CO -0.00 -0.64 0.37 0.42 0.95 0.00 0.00 175.26 176.36 3mon s ILE 5 N -3.82 5.18 0.04 1.83 1.01 -1.26 -1.03 121.20 123.15 3mon s ILE 5 Ca 0.05 0.58 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 3mon s ILE 5 Cb -0.02 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3mon s ILE 5 CO -0.06 0.17 0.21 0.27 0.00 0.00 0.00 174.94 175.53 3mon s ILE 6 N 2.00 5.39 0.56 2.92 -4.36 -0.36 -4.96 121.20 122.39 3mon s ILE 6 Ca 0.15 -0.28 -0.17 0.00 -0.26 0.00 0.00 60.65 60.09 3mon s ILE 6 Cb -0.16 -3.60 -0.05 0.00 1.25 0.00 0.00 42.46 39.91 3mon s ILE 6 CO 0.10 0.21 1.07 -0.62 0.24 0.00 0.00 174.94 175.93 3mon s ASP 7 N -2.29 5.86 -0.62 4.36 2.15 -1.26 -3.34 116.67 121.53 3mon s ASP 7 Ca 0.32 1.92 -0.05 0.00 0.43 0.00 0.00 52.55 55.17 3mon s ASP 7 Cb -0.13 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.91 3mon s ASP 7 CO 0.24 -1.12 2.96 2.30 -0.17 0.00 0.00 175.17 179.39 3mon n ILE 8 N -1.67 3.70 -1.37 4.11 -5.35 -1.26 -4.52 119.36 113.01 3mon n ILE 8 Ca 0.09 -2.79 -0.30 0.00 -0.27 0.00 0.00 62.75 59.49 3mon n ILE 8 Cb 0.52 -1.91 0.23 0.00 -1.74 0.00 0.00 39.64 36.74 3mon n ILE 8 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mon s GLY 9 N 1.01 1.66 0.56 3.28 0.00 -1.26 -4.75 107.32 107.82 3mon s GLY 9 Ca 0.61 -1.08 0.34 0.00 0.00 0.00 0.00 44.72 44.59 3mon s GLY 9 CO -0.12 -0.21 2.06 -0.56 0.00 0.00 0.00 173.10 174.27 3mon h PRO 10 N -2.31 0.00 0.08 2.90 0.13 -1.98 0.90 132.00 131.72 3mon h PRO 10 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3mon h PRO 10 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3mon h PRO 10 CO 0.33 0.04 -0.06 0.35 -0.23 0.00 0.00 178.00 178.43 3mon h PHE 11 N 0.00 -0.16 0.00 1.56 3.57 -1.92 -1.73 116.94 118.26 3mon h PHE 11 Ca -0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3mon h PHE 11 Cb 0.41 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3mon h PHE 11 CO 0.00 -0.10 -0.18 1.15 -2.23 0.00 0.00 178.31 176.94 3mon h THR 12 N -0.15 0.94 -0.02 4.41 2.02 -1.09 -1.08 112.91 117.94 3mon h THR 12 Ca -0.00 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.39 3mon h THR 12 Cb 0.14 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3mon h THR 12 CO -0.01 0.18 -0.51 1.56 0.37 0.00 0.00 175.52 177.11 3mon h GLN 13 N 0.00 0.05 -0.56 6.66 1.08 -1.14 -2.96 115.11 118.24 3mon h GLN 13 Ca -0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3mon h GLN 13 Cb 0.37 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3mon h GLN 13 CO 0.02 0.55 0.22 -0.91 -0.95 0.00 0.00 178.83 177.77 3mon h ASN 14 N 0.04 0.77 -0.41 1.46 4.21 -0.25 -1.64 115.58 119.76 3mon h ASN 14 Ca -0.00 -0.17 -0.03 0.00 1.21 0.00 0.00 56.30 57.31 3mon h ASN 14 Cb 0.92 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.89 3mon h ASN 14 CO 0.07 0.74 0.16 -0.07 -1.29 0.00 0.00 177.43 177.04 3mon h LEU 15 N 0.77 0.62 0.64 1.61 3.38 -1.54 -1.12 115.31 119.67 3mon h LEU 15 Ca 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3mon h LEU 15 Cb 0.20 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3mon h LEU 15 CO -0.01 0.58 -0.31 1.23 0.09 0.00 0.00 178.44 180.02 3mon h GLY 16 N 0.84 -0.90 0.07 0.83 0.00 -1.25 -1.45 103.07 101.21 3mon h GLY 16 Ca 0.16 0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.85 3mon h GLY 16 CO -0.01 -0.33 -0.47 0.50 0.00 0.00 0.00 176.54 176.23 3mon h LYS 17 N -0.89 -0.58 -0.41 4.80 1.57 -1.05 -2.44 116.57 117.57 3mon h LYS 17 Ca -0.09 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3mon h LYS 17 Cb 0.67 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 3mon h LYS 17 CO 0.15 -0.39 -0.48 0.35 -0.57 0.00 0.00 179.45 178.51 3mon h PHE 18 N -0.60 -1.41 -0.58 -1.35 3.57 -1.25 -1.58 116.94 113.74 3mon h PHE 18 Ca 0.04 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.72 3mon h PHE 18 Cb 0.68 0.67 -0.11 0.00 2.79 0.00 0.00 35.95 39.98 3mon h PHE 18 CO -0.47 -0.46 -0.34 0.00 -2.23 0.00 0.00 178.31 174.81 3mon h ALA 19 N 0.26 -0.07 -0.50 2.41 0.00 -0.92 0.70 119.26 121.16 3mon h ALA 19 Ca 0.12 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3mon h ALA 19 Cb 0.59 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3mon h ALA 19 CO -0.59 -0.69 -0.18 0.28 0.00 0.00 0.00 179.25 178.07 3mon h VAL 20 N -0.17 1.27 -0.45 0.00 2.07 -1.23 -1.15 116.25 116.60 3mon h VAL 20 Ca 0.23 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3mon h VAL 20 Cb 0.55 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3mon h VAL 20 CO -0.67 0.47 0.08 0.44 0.02 0.00 0.00 177.57 177.90 3mon h ASP 21 N 0.86 0.63 0.70 0.57 3.32 -0.21 0.81 116.42 123.10 3mon h ASP 21 Ca 0.12 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 3mon h ASP 21 Cb 0.76 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3mon h ASP 21 CO 0.06 0.65 -0.78 -0.33 -1.72 0.00 0.00 179.24 177.11 3mon h GLU 22 N 0.66 0.06 0.13 3.56 4.39 -0.47 -2.96 114.58 119.94 3mon h GLU 22 Ca 0.15 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3mon h GLU 22 Cb 0.29 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3mon h GLU 22 CO 0.00 0.81 -0.06 1.49 -1.16 0.00 0.00 179.01 180.09 3mon h GLU 23 N 0.03 -0.17 -0.57 2.33 4.57 -0.65 -3.15 114.58 116.97 3mon h GLU 23 Ca -0.02 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 3mon h GLU 23 Cb 1.38 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 3mon h GLU 23 CO 0.11 0.22 0.49 -0.91 -1.18 0.00 0.00 179.01 177.74 3mon h ASN 24 N -0.61 0.00 -0.28 1.04 2.35 -0.80 1.30 115.58 118.58 3mon h ASN 24 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3mon h ASN 24 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3mon h ASN 24 CO 0.03 0.00 0.13 0.11 -1.65 0.00 0.00 177.43 176.05 3mon h LYS 25 N 0.00 0.41 0.00 0.81 1.57 -1.48 -2.99 116.57 114.88 3mon h LYS 25 Ca 0.27 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3mon h LYS 25 Cb 1.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3mon h LYS 25 CO -0.00 0.41 -0.44 0.82 -0.57 0.00 0.00 179.45 179.66 3mon h ILE 26 N 0.31 1.05 0.00 1.86 2.04 0.15 -3.48 117.51 119.45 3mon h ILE 26 Ca 0.09 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3mon h ILE 26 Cb 0.14 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3mon h ILE 26 CO -0.01 0.44 0.00 0.61 0.00 0.00 0.00 178.15 179.18 3mon n GLY 27 N 0.22 0.12 0.33 5.37 0.00 0.48 -4.90 105.19 106.81 3mon n GLY 27 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3mon n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3mon n GLN 28 N -0.15 -0.08 -0.78 1.61 -0.06 -1.26 -0.88 117.38 115.78 3mon n GLN 28 Ca 0.00 1.45 0.06 0.00 -2.00 0.00 0.00 57.00 56.51 3mon n GLN 28 Cb 0.34 -2.29 0.35 0.00 -4.06 0.00 0.00 30.24 24.58 3mon n GLN 28 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3mon n TYR 29 N -5.44 1.78 -4.30 3.69 4.01 -1.26 -5.04 117.16 110.59 3mon n TYR 29 Ca 0.22 -0.83 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 3mon n TYR 29 Cb 0.73 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3mon n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mon n GLY 30 N 0.18 1.11 3.78 2.72 0.00 -0.06 -4.83 105.19 108.10 3mon n GLY 30 Ca 0.27 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3mon n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mon s ARG 31 N 0.00 2.79 -0.01 1.61 6.06 -1.26 -4.48 118.95 123.65 3mon s ARG 31 Ca 0.00 -1.06 -0.02 0.00 -2.50 0.00 0.00 55.73 52.16 3mon s ARG 31 Cb 0.00 -2.51 0.00 0.00 0.06 0.00 0.00 34.95 32.50 3mon s ARG 31 CO 0.00 0.42 0.04 -0.51 -2.50 0.00 0.00 175.30 172.76 3mon s LEU 32 N -3.54 1.85 -0.19 -0.88 1.43 -1.26 -5.11 118.68 110.98 3mon s LEU 32 Ca 0.32 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.26 3mon s LEU 32 Cb -0.08 0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.27 3mon s LEU 32 CO 0.23 -0.06 0.49 0.28 0.23 0.00 0.00 176.35 177.52 3mon s THR 33 N -0.17 5.13 0.94 5.49 -1.32 -1.26 -4.99 115.64 119.46 3mon s THR 33 Ca -0.02 0.90 -0.11 0.00 -1.21 0.00 0.00 61.69 61.24 3mon s THR 33 Cb -0.02 -3.81 0.15 0.00 -1.51 0.00 0.00 72.50 67.32 3mon s THR 33 CO 0.00 0.21 1.09 0.12 -2.21 0.00 0.00 174.62 173.83 3mon s PHE 34 N 1.48 2.04 0.00 9.09 2.19 -1.26 -4.99 117.98 126.53 3mon s PHE 34 Ca 0.23 1.36 0.00 0.00 0.33 0.00 0.00 56.93 58.85 3mon s PHE 34 Cb -0.15 -3.17 0.00 0.00 -1.31 0.00 0.00 43.02 38.38 3mon s PHE 34 CO 0.09 -2.69 0.00 0.09 1.83 0.00 0.00 175.22 174.54 3mon n ASN 35 N -4.10 0.00 -3.83 6.13 4.13 -1.26 -5.17 115.26 111.17 3mon n ASN 35 Ca 0.07 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.24 3mon n ASN 35 Cb 0.54 0.07 -0.07 0.00 -1.54 0.00 0.00 39.78 38.78 3mon n ASN 35 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3mon s LYS 36 N -0.39 0.85 -0.11 3.52 -2.85 -1.26 -5.07 119.74 114.43 3mon s LYS 36 Ca 0.00 -0.87 -0.04 0.00 -1.00 0.00 0.00 55.97 54.07 3mon s LYS 36 Cb 0.00 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 3mon s LYS 36 CO 0.00 -0.27 0.03 0.08 0.10 0.00 0.00 175.35 175.28 3mon s VAL 37 N -3.62 4.54 0.19 1.79 1.01 -1.26 -5.08 120.40 117.97 3mon s VAL 37 Ca 0.03 -0.15 0.10 0.00 0.00 0.00 0.00 61.98 61.96 3mon s VAL 37 Cb 0.03 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3mon s VAL 37 CO -0.10 0.58 -0.20 0.27 0.00 0.00 0.00 175.10 175.65 3mon s ILE 38 N -0.63 2.08 0.78 2.22 -0.00 -1.26 -5.01 121.20 119.37 3mon s ILE 38 Ca 0.11 -2.03 -0.14 0.00 -0.00 0.00 0.00 60.65 58.59 3mon s ILE 38 Cb -0.12 -2.00 0.07 0.00 -0.00 0.00 0.00 42.46 40.41 3mon s ILE 38 CO 0.02 -0.27 1.20 -0.13 -0.00 0.00 0.00 174.94 175.76 3mon s ARG 39 N -2.87 1.82 0.47 0.37 0.52 -1.26 -4.57 118.95 113.42 3mon s ARG 39 Ca 0.19 1.71 -0.11 0.00 -0.52 0.00 0.00 55.73 57.01 3mon s ARG 39 Cb -0.06 -1.80 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 3mon s ARG 39 CO 0.09 -2.07 0.85 -1.25 0.02 0.00 0.00 175.30 172.94 3mon s PRO 40 N -4.12 3.75 0.09 3.54 0.04 -1.26 -5.15 135.00 131.88 3mon s PRO 40 Ca 0.72 0.56 0.05 0.00 0.04 0.00 0.00 61.00 62.38 3mon s PRO 40 Cb -0.28 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 3mon s PRO 40 CO 0.49 -0.18 -0.03 0.00 0.04 0.00 0.00 177.00 177.32 3mon s MET 42 N -2.24 1.18 -0.11 0.00 0.00 -1.26 -1.23 119.30 115.64 3mon s MET 42 Ca 0.24 -0.17 0.03 0.00 0.00 0.00 0.00 55.69 55.79 3mon s MET 42 Cb -0.11 -1.23 0.01 0.00 0.00 0.00 0.00 34.83 33.50 3mon s MET 42 CO 0.16 -0.17 -0.19 -1.59 0.00 0.00 0.00 175.02 173.24 3mon s LYS 43 N 1.36 2.57 -0.06 4.11 0.00 -0.20 -4.92 119.74 122.60 3mon s LYS 43 Ca -0.03 -0.70 0.02 0.00 0.00 0.00 0.00 55.97 55.27 3mon s LYS 43 Cb -0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 37.83 35.59 3mon s LYS 43 CO -0.03 0.02 -0.11 0.21 0.00 0.00 0.00 175.35 175.43 3mon s LYS 44 N 0.75 2.63 -0.15 1.78 2.20 -1.26 -0.72 119.74 124.97 3mon s LYS 44 Ca -0.11 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 54.82 3mon s LYS 44 Cb -0.16 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.66 3mon s LYS 44 CO 0.01 0.62 -0.00 0.99 -0.36 0.00 0.00 175.35 176.61 3mon s THR 45 N -0.72 4.21 0.11 3.43 2.01 -0.52 -4.91 115.64 119.25 3mon s THR 45 Ca 0.11 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.88 3mon s THR 45 Cb -0.11 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3mon s THR 45 CO 0.01 0.51 0.24 -0.63 -0.69 0.00 0.00 174.62 174.05 3mon s ILE 46 N 0.11 5.25 0.00 1.82 1.01 -1.26 -1.95 121.20 126.19 3mon s ILE 46 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3mon s ILE 46 Cb -0.13 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3mon s ILE 46 CO 0.02 0.00 0.00 -1.22 0.00 0.00 0.00 174.94 173.74 3mon n TYR 47 N -0.17 0.00 -2.74 3.97 4.02 -1.26 -4.99 117.16 115.99 3mon n TYR 47 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.77 3mon n TYR 47 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.88 3mon n TYR 47 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3mon n GLU 48 N -1.17 0.53 -1.31 -0.72 0.00 -1.26 -5.15 120.64 111.55 3mon n GLU 48 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 57.16 55.41 3mon n GLU 48 Cb 0.20 -1.15 0.06 0.00 0.00 0.00 0.00 31.44 30.55 3mon n GLU 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3mon n ASN 49 N 2.32 0.46 0.00 4.31 4.13 -1.26 -5.29 115.26 119.92 3mon n ASN 49 Ca 0.13 -1.43 0.00 0.00 1.68 0.00 0.00 54.58 54.96 3mon n ASN 49 Cb 0.61 -0.32 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 3mon n ASN 49 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92