#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oma n ASP 2 N 0.00 4.38 -3.98 1.62 9.92 -1.26 -4.95 116.55 122.28 1oma n ASP 2 Ca 0.00 -3.69 -0.09 0.00 -0.53 0.00 0.00 54.79 50.48 1oma n ASP 2 Cb 0.00 -0.81 -0.08 0.00 -0.64 0.00 0.00 41.12 39.59 1oma n ASP 2 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1oma s ASN 3 N -1.76 0.22 0.51 -2.24 4.22 -1.26 -5.17 114.94 109.45 1oma s ASN 3 Ca 0.56 -0.86 0.06 0.00 -2.14 0.00 0.00 52.86 50.48 1oma s ASN 3 Cb 0.47 0.32 0.02 0.00 1.28 0.00 0.00 41.25 43.34 1oma s ASN 3 CO 0.06 -0.74 0.36 0.00 -2.04 0.00 0.00 177.10 174.74 1oma n ILE 5 N -1.65 3.73 -0.65 0.00 2.08 -1.15 -4.66 119.36 117.06 1oma n ILE 5 Ca -0.01 -3.62 0.05 0.00 0.56 0.00 0.00 62.75 59.73 1oma n ILE 5 Cb 0.64 -2.47 0.35 0.00 -0.75 0.00 0.00 39.64 37.41 1oma n ILE 5 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1oma n ALA 6 N 7.37 3.75 -2.54 -1.39 0.00 -1.26 -3.64 120.51 122.81 1oma n ALA 6 Ca 0.50 -1.68 -0.28 0.00 0.00 0.00 0.00 53.44 51.98 1oma n ALA 6 Cb 0.43 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 1oma n ALA 6 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1oma s GLU 7 N -2.54 1.94 0.12 0.00 2.12 -1.26 -5.05 118.70 114.04 1oma s GLU 7 Ca 0.47 -1.24 -0.31 0.00 0.36 0.00 0.00 54.97 54.25 1oma s GLU 7 Cb 0.36 -2.14 -0.09 0.00 0.26 0.00 0.00 34.13 32.53 1oma s GLU 7 CO 0.14 0.45 1.53 -0.51 -0.54 0.00 0.00 175.26 176.33 1oma s ASP 8 N -2.55 6.67 -0.43 -1.70 1.01 -1.26 -1.54 116.67 116.87 1oma s ASP 8 Ca 0.22 2.48 0.00 0.00 0.71 0.00 0.00 52.55 55.96 1oma s ASP 8 Cb -0.09 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1oma s ASP 8 CO 0.13 -0.79 0.00 -1.22 0.21 0.00 0.00 175.17 173.50 1oma n TYR 9 N 4.40 0.00 -1.60 4.23 4.02 -0.48 -4.86 117.16 122.87 1oma n TYR 9 Ca 0.14 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.52 1oma n TYR 9 Cb 0.40 -2.01 -0.06 0.00 -0.02 0.00 0.00 39.34 37.66 1oma n TYR 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oma n GLY 10 N 0.14 0.97 3.60 2.72 0.00 -0.59 -4.28 105.19 107.75 1oma n GLY 10 Ca -0.04 0.90 -0.58 0.00 0.00 0.00 0.00 46.02 46.30 1oma n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1oma n LYS 11 N 7.11 0.57 -1.09 1.61 4.81 -1.26 -2.48 118.16 127.43 1oma n LYS 11 Ca 0.31 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1oma n LYS 11 Cb 0.25 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1oma n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1oma s THR 13 N -0.02 -0.29 -0.54 0.00 2.01 -1.25 -4.03 115.64 111.52 1oma s THR 13 Ca 0.00 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.01 1oma s THR 13 Cb 0.00 -0.38 -0.08 0.00 0.01 0.00 0.00 72.50 72.05 1oma s THR 13 CO 0.00 0.11 2.41 0.26 -0.69 0.00 0.00 174.62 176.71 1oma s TRP 14 N 2.12 1.08 0.00 4.92 0.52 -1.26 -1.97 118.94 124.36 1oma s TRP 14 Ca -0.01 1.64 0.00 0.00 0.02 0.00 0.00 56.10 57.76 1oma s TRP 14 Cb -0.12 -3.56 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 1oma s TRP 14 CO -0.08 -2.37 0.00 0.41 0.02 0.00 0.00 176.95 174.94 1oma n GLY 15 N 6.14 0.69 0.00 0.98 0.00 -1.26 -5.06 105.19 106.68 1oma n GLY 15 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1oma n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oma n GLY 16 N 0.00 1.64 3.59 -0.02 0.00 -0.83 -5.08 105.19 104.49 1oma n GLY 16 Ca 0.00 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1oma n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oma s THR 17 N 2.23 3.87 0.48 2.61 2.01 -1.26 -4.95 115.64 120.62 1oma s THR 17 Ca 0.00 0.81 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1oma s THR 17 Cb 0.00 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 68.17 1oma s THR 17 CO 0.00 -0.99 0.68 -0.75 -0.69 0.00 0.00 174.62 172.87 1oma s LYS 18 N 5.20 2.81 0.09 4.92 2.20 -1.26 -3.83 119.74 129.86 1oma s LYS 18 Ca 0.56 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 1oma s LYS 18 Cb -0.12 -2.58 -0.09 0.00 -1.51 0.00 0.00 37.83 33.53 1oma s LYS 18 CO 0.29 -0.43 1.68 0.00 -0.36 0.00 0.00 175.35 176.53 1oma h ARG 21 N -0.08 -0.08 0.00 0.00 3.08 -1.90 -3.46 114.38 111.94 1oma h ARG 21 Ca 0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1oma h ARG 21 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1oma h ARG 21 CO -0.19 -0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.07 1oma n GLY 22 N -1.13 -0.11 3.67 0.04 0.00 -0.85 -5.16 105.19 101.65 1oma n GLY 22 Ca -0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1oma n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oma s ARG 23 N 0.00 2.74 1.42 1.61 1.81 -1.26 -5.03 118.95 120.24 1oma s ARG 23 Ca 0.00 -0.64 -0.23 0.00 -1.72 0.00 0.00 55.73 53.14 1oma s ARG 23 Cb 0.00 -2.64 0.36 0.00 -0.45 0.00 0.00 34.95 32.23 1oma s ARG 23 CO 0.00 0.62 0.94 -1.25 -0.68 0.00 0.00 175.30 174.93 1oma s PRO 24 N -1.59 -2.91 0.11 3.54 0.04 -1.26 -4.38 135.00 128.55 1oma s PRO 24 Ca 0.20 0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.36 1oma s PRO 24 Cb -0.11 -1.38 -0.04 0.00 0.04 0.00 0.00 34.50 33.00 1oma s PRO 24 CO 0.10 -4.85 -0.12 0.00 0.04 0.00 0.00 177.00 172.17 1oma s ARG 26 N -2.73 3.29 0.12 0.00 3.52 -0.64 -4.84 118.95 117.66 1oma s ARG 26 Ca 0.07 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 1oma s ARG 26 Cb -0.04 -2.72 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1oma s ARG 26 CO 0.02 0.36 0.02 0.00 -0.81 0.00 0.00 175.30 174.89 1oma n SER 28 N -1.57 3.32 0.00 0.00 7.64 -1.26 -4.82 113.62 116.92 1oma n SER 28 Ca -0.03 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.40 1oma n SER 28 Cb 0.16 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1oma n SER 28 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1oma n MET 29 N 0.33 0.00 -0.01 1.43 1.56 -1.26 -4.77 117.12 114.39 1oma n MET 29 Ca 0.14 0.00 0.03 0.00 -0.27 0.00 0.00 57.70 57.60 1oma n MET 29 Cb 0.71 -2.87 0.04 0.00 2.15 0.00 0.00 33.22 33.24 1oma n MET 29 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 1oma n ILE 30 N -2.00 0.14 -2.73 1.12 -5.35 -1.26 -4.98 119.36 104.29 1oma n ILE 30 Ca 0.00 -0.57 -0.07 0.00 -0.27 0.00 0.00 62.75 61.84 1oma n ILE 30 Cb 0.00 1.05 0.02 0.00 -1.74 0.00 0.00 39.64 38.97 1oma n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oma n GLY 31 N 0.35 0.48 2.81 3.28 0.00 -1.26 -5.04 105.19 105.81 1oma n GLY 31 Ca 0.04 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 1oma n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oma s THR 32 N -3.00 0.38 0.14 2.61 -4.23 -1.26 -4.96 115.64 105.32 1oma s THR 32 Ca 0.15 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1oma s THR 32 Cb -0.07 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1oma s THR 32 CO 0.18 0.23 0.00 -3.20 -0.54 0.00 0.00 174.62 171.29 1oma n ASN 33 N 4.66 -9.10 -4.20 3.99 5.15 -1.26 -3.99 115.26 110.50 1oma n ASN 33 Ca -0.15 1.59 -0.16 0.00 -0.60 0.00 0.00 54.58 55.25 1oma n ASN 33 Cb 0.50 -5.13 -0.10 0.00 -0.53 0.00 0.00 39.78 34.52 1oma n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oma s GLU 35 N -4.00 0.04 -0.03 0.00 8.01 -0.28 -1.74 118.70 120.69 1oma s GLU 35 Ca 0.37 0.56 -0.29 0.00 0.01 0.00 0.00 54.97 55.62 1oma s GLU 35 Cb 0.07 -0.27 -0.08 0.00 -4.31 0.00 0.00 34.13 29.55 1oma s GLU 35 CO 0.14 -0.30 2.05 0.00 0.01 0.00 0.00 175.26 177.16 1oma s THR 37 N 5.55 5.19 0.67 0.00 2.01 -0.94 -1.39 115.64 126.74 1oma s THR 37 Ca 0.92 0.78 -0.11 0.00 0.31 0.00 0.00 61.69 63.59 1oma s THR 37 Cb -0.40 -3.72 0.17 0.00 0.01 0.00 0.00 72.50 68.56 1oma s THR 37 CO 0.40 0.41 0.44 -0.81 -0.69 0.00 0.00 174.62 174.37 1oma n PRO 38 N 3.17 -3.06 -2.80 4.92 -0.04 -1.26 -4.37 135.00 131.57 1oma n PRO 38 Ca -0.10 -0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 62.21 1oma n PRO 38 Cb 0.52 -0.87 -0.03 0.00 -0.04 0.00 0.00 33.50 33.07 1oma n PRO 38 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1oma s ARG 39 N -4.03 4.15 0.05 0.54 0.52 -1.26 -4.60 118.95 114.31 1oma s ARG 39 Ca 0.32 1.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1oma s ARG 39 Cb -0.05 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 31.75 1oma s ARG 39 CO 0.26 -0.64 0.00 -0.11 0.02 0.00 0.00 175.30 174.83 1oma n LEU 40 N 6.27 -0.42 -2.30 2.53 0.00 -1.26 -5.13 117.00 116.69 1oma n LEU 40 Ca 0.08 0.23 -0.01 0.00 0.00 0.00 0.00 56.01 56.31 1oma n LEU 40 Cb 0.47 0.60 -0.00 0.00 0.00 0.00 0.00 43.42 44.49 1oma n LEU 40 CO 0.51 -0.05 -0.48 -0.38 0.00 0.00 0.00 177.39 176.99 1oma n ILE 41 N -2.26-12.83 -2.45 1.96 -0.00 -1.26 -5.07 119.36 97.45 1oma n ILE 41 Ca 0.00 2.98 0.00 0.00 -0.00 0.00 0.00 62.75 65.73 1oma n ILE 41 Cb 0.00 -6.00 0.00 0.00 -0.00 0.00 0.00 39.64 33.64 1oma n ILE 41 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 176.55 176.78 1oma n MET 42 N 1.72 0.00 -0.91 0.38 2.81 -1.26 -5.15 117.12 114.72 1oma n MET 42 Ca -0.04 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.49 1oma n MET 42 Cb 0.06 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.64 1oma n MET 42 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1oma n GLU 43 N 0.00 -0.39 -0.04 0.03 0.28 -1.26 -4.93 120.64 114.33 1oma n GLU 43 Ca 0.00 -0.11 -0.04 0.00 -0.16 0.00 0.00 57.16 56.85 1oma n GLU 43 Cb 0.00 -1.24 -0.06 0.00 1.43 0.00 0.00 31.44 31.57 1oma n GLU 43 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1oma n GLY 44 N 2.97 -0.36 7.00 -1.84 0.00 -1.26 -5.10 105.19 106.60 1oma n GLY 44 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1oma n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1oma n LEU 45 N -2.30 0.00 -4.15 0.99 7.94 -1.26 -4.21 117.00 114.01 1oma n LEU 45 Ca -0.12 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.39 1oma n LEU 45 Cb 0.74 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.61 1oma n LEU 45 CO 0.16 -0.25 0.09 -0.44 -1.11 0.00 0.00 177.39 175.84 1oma s SER 46 N -4.00 5.54 -0.47 1.96 0.01 -1.26 -4.91 113.70 110.57 1oma s SER 46 Ca 0.00 -2.72 0.04 0.00 1.31 0.00 0.00 55.95 54.58 1oma s SER 46 Cb 0.00 -1.93 0.42 0.00 0.21 0.00 0.00 66.02 64.72 1oma s SER 46 CO 0.00 -0.44 1.22 0.49 0.41 0.00 0.00 173.24 174.93 1oma n PHE 47 N 3.72 3.31 0.60 2.43 3.72 -1.26 -5.35 117.46 124.63 1oma n PHE 47 Ca 0.07 -2.95 0.07 0.00 -0.05 0.00 0.00 57.45 54.60 1oma n PHE 47 Cb 0.40 -0.24 0.06 0.00 -0.94 0.00 0.00 39.48 38.76 1oma n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71