#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaf s GLN 2 N 0.00 0.98 0.20 0.03 0.74 -1.26 -5.11 119.66 115.24 1aaf s GLN 2 Ca 0.00 -1.07 0.00 0.00 0.05 0.00 0.00 55.36 54.34 1aaf s GLN 2 Cb 0.00 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.46 1aaf s GLN 2 CO 0.00 -0.33 0.00 0.54 -0.55 0.00 0.00 175.29 174.95 1aaf n ARG 3 N -0.13 -4.31 -0.02 1.67 5.12 -1.26 -5.04 116.66 112.70 1aaf n ARG 3 Ca -0.11 3.14 0.00 0.00 -1.93 0.00 0.00 57.85 58.95 1aaf n ARG 3 Cb 0.63 -3.31 0.00 0.00 -1.16 0.00 0.00 32.46 28.62 1aaf n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aaf n GLY 4 N 1.17 -0.70 3.33 -0.13 0.00 -1.26 -5.11 105.19 102.48 1aaf n GLY 4 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.37 1aaf n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aaf s ASN 5 N -1.00 -0.40 0.00 1.61 2.47 -1.26 -5.09 114.94 111.27 1aaf s ASN 5 Ca 0.00 0.56 0.00 0.00 0.42 0.00 0.00 52.86 53.84 1aaf s ASN 5 Cb 0.00 1.46 0.00 0.00 -1.45 0.00 0.00 41.25 41.26 1aaf s ASN 5 CO 0.00 -0.08 0.00 0.33 -3.72 0.00 0.00 177.10 173.63 1aaf n PHE 6 N 4.83 -0.04 -1.19 0.43 7.35 -1.26 -5.17 117.46 122.40 1aaf n PHE 6 Ca -0.08 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.76 1aaf n PHE 6 Cb 0.54 0.01 -0.05 0.00 0.35 0.00 0.00 39.48 40.32 1aaf n PHE 6 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1aaf n ARG 7 N -1.08 -2.55 -3.59 -4.13 1.74 -1.26 -5.04 116.66 100.75 1aaf n ARG 7 Ca 0.00 1.87 -0.07 0.00 -0.77 0.00 0.00 57.85 58.88 1aaf n ARG 7 Cb 0.00 -3.05 -0.04 0.00 -1.02 0.00 0.00 32.46 28.34 1aaf n ARG 7 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1aaf s ASN 8 N -6.75 -0.25 0.20 0.55 3.84 -1.26 -5.19 114.94 106.08 1aaf s ASN 8 Ca 0.00 0.23 -0.11 0.00 0.21 0.00 0.00 52.86 53.19 1aaf s ASN 8 Cb 0.00 0.21 -0.00 0.00 -0.55 0.00 0.00 41.25 40.91 1aaf s ASN 8 CO 0.00 -0.26 0.38 -1.10 -2.79 0.00 0.00 177.10 173.33 1aaf s GLN 9 N -1.34 1.33 0.01 0.43 -0.21 -1.26 -5.18 119.66 113.45 1aaf s GLN 9 Ca 0.03 -1.18 -0.00 0.00 0.02 0.00 0.00 55.36 54.23 1aaf s GLN 9 Cb -0.01 0.43 0.00 0.00 1.00 0.00 0.00 33.01 34.43 1aaf s GLN 9 CO -0.02 -0.52 0.02 -2.13 -2.12 0.00 0.00 175.29 170.51 1aaf n ARG 10 N -0.30 0.02 -2.38 2.91 0.63 -1.26 -5.19 116.66 111.09 1aaf n ARG 10 Ca -0.05 -0.08 -0.04 0.00 -0.92 0.00 0.00 57.85 56.76 1aaf n ARG 10 Cb 0.63 0.08 -0.01 0.00 0.45 0.00 0.00 32.46 33.61 1aaf n ARG 10 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1aaf n LYS 11 N -0.02 0.46 0.00 -0.14 0.00 -1.26 -5.18 118.16 112.03 1aaf n LYS 11 Ca -0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 58.31 57.75 1aaf n LYS 11 Cb 0.02 0.38 0.00 0.00 -0.00 0.00 0.00 35.03 35.43 1aaf n LYS 11 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1aaf n ILE 12 N -0.13 0.00 -2.31 0.58 3.06 -1.26 -5.13 119.36 114.18 1aaf n ILE 12 Ca 0.00 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 59.99 1aaf n ILE 12 Cb 0.10 -0.00 0.12 0.00 0.54 0.00 0.00 39.64 40.40 1aaf n ILE 12 CO 0.00 0.00 0.00 0.27 -2.50 0.00 0.00 176.55 174.32 1aaf s ILE 13 N 2.51 2.15 0.00 9.51 -4.36 -1.26 -5.09 121.20 124.66 1aaf s ILE 13 Ca 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 60.65 60.04 1aaf s ILE 13 Cb 0.00 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1aaf s ILE 13 CO 0.00 0.00 0.00 2.29 0.24 0.00 0.00 174.94 177.47 1aaf n LYS 14 N -3.11 0.00 -1.78 0.37 2.85 -1.26 -4.70 118.16 110.54 1aaf n LYS 14 Ca 0.13 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.97 1aaf n LYS 14 Cb 0.60 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.95 1aaf n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1aaf h PHE 16 N 11.76 0.00 0.00 0.00 0.04 -1.88 -1.14 116.94 125.71 1aaf h PHE 16 Ca -0.43 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.06 1aaf h PHE 16 Cb 1.21 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.32 1aaf h PHE 16 CO 0.94 0.00 -1.56 -1.71 -0.60 0.00 0.00 178.31 175.37 1aaf n ASN 17 N -2.31 1.88 0.02 2.17 5.15 -1.26 -4.26 115.26 116.65 1aaf n ASN 17 Ca 0.02 0.41 -0.02 0.00 -0.60 0.00 0.00 54.58 54.39 1aaf n ASN 17 Cb 0.26 -0.93 -0.09 0.00 -0.53 0.00 0.00 39.78 38.49 1aaf n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aaf n GLY 19 N 1.42 1.68 3.74 0.00 0.00 -0.44 -5.08 105.19 106.52 1aaf n GLY 19 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1aaf n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aaf s LYS 20 N -0.07 2.48 -0.07 1.61 -0.14 -1.20 -4.69 119.74 117.66 1aaf s LYS 20 Ca 0.00 1.70 -0.11 0.00 -1.36 0.00 0.00 55.97 56.20 1aaf s LYS 20 Cb 0.00 -1.88 -0.05 0.00 -1.68 0.00 0.00 37.83 34.22 1aaf s LYS 20 CO 0.00 -1.56 0.27 -1.83 -0.76 0.00 0.00 175.35 171.47 1aaf s GLU 21 N -3.80 3.73 0.00 1.68 1.03 -1.26 0.28 118.70 120.35 1aaf s GLU 21 Ca 0.74 0.13 0.00 0.00 0.03 0.00 0.00 54.97 55.87 1aaf s GLU 21 Cb -0.28 -3.22 0.00 0.00 -0.80 0.00 0.00 34.13 29.83 1aaf s GLU 21 CO 0.41 0.69 0.00 0.41 -1.33 0.00 0.00 175.26 175.45 1aaf n GLY 22 N 2.03 2.47 4.01 -3.83 0.00 -1.26 -4.88 105.19 103.73 1aaf n GLY 22 Ca -0.17 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1aaf n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aaf s HIS 23 N 0.00 1.31 0.39 1.61 -3.43 -1.26 -4.92 115.29 108.99 1aaf s HIS 23 Ca 0.00 -0.47 0.08 0.00 -0.80 0.00 0.00 55.06 53.87 1aaf s HIS 23 Cb 0.00 -2.77 -0.06 0.00 -1.43 0.00 0.00 32.58 28.32 1aaf s HIS 23 CO 0.00 -1.67 0.11 0.96 -2.00 0.00 0.00 174.74 172.14 1aaf s ILE 24 N -3.05 2.39 -0.12 -5.38 -4.36 -1.26 -2.41 121.20 107.01 1aaf s ILE 24 Ca 0.66 -1.82 0.15 0.00 -0.26 0.00 0.00 60.65 59.39 1aaf s ILE 24 Cb -0.05 -2.94 -0.07 0.00 1.25 0.00 0.00 42.46 40.65 1aaf s ILE 24 CO 0.44 -0.07 1.09 0.00 0.24 0.00 0.00 174.94 176.64 1aaf h ALA 25 N 1.59 0.64 -0.01 2.27 0.00 -1.92 -1.87 119.26 119.96 1aaf h ALA 25 Ca -0.43 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1aaf h ALA 25 Cb 1.25 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1aaf h ALA 25 CO 0.70 0.84 0.03 -0.22 0.00 0.00 0.00 179.25 180.61 1aaf h LYS 26 N 0.00 0.00 -0.06 0.00 1.63 -2.01 -2.04 116.57 114.09 1aaf h LYS 26 Ca -0.09 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.65 1aaf h LYS 26 Cb 1.53 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 33.09 1aaf h LYS 26 CO 0.06 0.00 -0.57 -1.71 -3.45 0.00 0.00 179.45 173.77 1aaf n ASN 27 N -3.41 1.87 -4.27 4.20 4.05 -0.71 -4.99 115.26 112.00 1aaf n ASN 27 Ca -0.03 -3.72 -0.42 0.00 0.45 0.00 0.00 54.58 50.86 1aaf n ASN 27 Cb 0.11 -0.50 -0.08 0.00 1.23 0.00 0.00 39.78 40.54 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aaf n ARG 29 N 5.02 2.59 -0.75 0.00 0.63 -1.26 -5.00 116.66 117.89 1aaf n ARG 29 Ca -0.10 -2.99 -0.32 0.00 -0.92 0.00 0.00 57.85 53.52 1aaf n ARG 29 Cb 0.41 -2.21 0.16 0.00 0.45 0.00 0.00 32.46 31.27 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aaf n ALA 30 N 0.10 -0.91 -0.70 5.13 0.00 -1.26 -4.87 120.51 118.00 1aaf n ALA 30 Ca 0.52 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1aaf n ALA 30 Cb 0.38 -2.16 0.24 0.00 0.00 0.00 0.00 19.45 17.91 1aaf n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1aaf s PRO 31 N -4.43 -0.95 0.00 0.00 0.04 -1.26 -5.01 135.00 123.38 1aaf s PRO 31 Ca 0.67 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1aaf s PRO 31 Cb -0.24 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1aaf s PRO 31 CO 0.58 -3.68 0.00 0.54 0.04 0.00 0.00 177.00 174.48 1aaf n ARG 32 N -4.86 0.00 0.00 4.56 5.12 -1.26 -5.07 116.66 115.15 1aaf n ARG 32 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1aaf n ARG 32 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 1aaf n ARG 32 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1aaf n LYS 33 N -1.07 0.00 -1.81 5.56 2.85 -1.26 -5.15 118.16 117.29 1aaf n LYS 33 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1aaf n LYS 33 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1aaf n LYS 33 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1aaf s ARG 34 N 0.00 4.11 0.00 -1.58 3.52 -1.26 -4.81 118.95 118.93 1aaf s ARG 34 Ca 0.00 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 1aaf s ARG 34 Cb 0.00 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1aaf s ARG 34 CO 0.00 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.36 1aaf n GLY 35 N 0.71 1.46 3.43 8.12 0.00 -1.26 -4.93 105.19 112.71 1aaf n GLY 35 Ca 0.02 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 1aaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaf n TRP 37 N 6.70 0.00 0.39 0.00 -0.00 -1.26 0.97 117.44 124.24 1aaf n TRP 37 Ca -0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.28 1aaf n TRP 37 Cb 0.44 -0.40 -0.07 0.00 -0.00 0.00 0.00 31.31 31.28 1aaf n TRP 37 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1aaf h LYS 38 N 0.05 -0.98 0.05 5.87 3.11 -1.93 -3.26 116.57 119.48 1aaf h LYS 38 Ca 0.00 0.07 -0.23 0.00 -2.81 0.00 0.00 60.65 57.67 1aaf h LYS 38 Cb 0.47 0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.91 1aaf h LYS 38 CO 0.00 -0.65 -1.08 0.00 -2.81 0.00 0.00 179.45 174.91 1aaf n GLY 40 N 1.40 1.63 3.43 0.00 0.00 0.22 -5.10 105.19 106.78 1aaf n GLY 40 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1aaf n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aaf s LYS 41 N -0.58 1.73 0.29 1.61 2.47 0.27 -4.90 119.74 120.63 1aaf s LYS 41 Ca 0.00 -2.01 0.04 0.00 -1.56 0.00 0.00 55.97 52.44 1aaf s LYS 41 Cb 0.00 -0.47 0.04 0.00 -1.46 0.00 0.00 37.83 35.94 1aaf s LYS 41 CO 0.00 -0.40 0.32 -0.85 0.16 0.00 0.00 175.35 174.58 1aaf n GLU 42 N -0.73 0.93 0.00 4.03 -0.00 -1.26 -1.39 120.64 122.21 1aaf n GLU 42 Ca -0.02 -1.65 0.00 0.00 -0.00 0.00 0.00 57.16 55.49 1aaf n GLU 42 Cb 0.65 0.02 0.00 0.00 -0.00 0.00 0.00 31.44 32.11 1aaf n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aaf n GLY 43 N 1.53 3.20 3.55 -1.84 0.00 -1.26 -4.97 105.19 105.40 1aaf n GLY 43 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1aaf n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aaf s HIS 44 N -2.95 0.92 0.43 1.61 -3.43 -1.26 -5.16 115.29 105.45 1aaf s HIS 44 Ca 0.00 -1.22 0.07 0.00 -0.80 0.00 0.00 55.06 53.11 1aaf s HIS 44 Cb 0.00 0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 31.18 1aaf s HIS 44 CO 0.00 -1.22 0.19 -1.14 -2.00 0.00 0.00 174.74 170.57 1aaf s GLN 45 N -2.89 2.23 0.44 -0.38 2.00 -1.26 -3.69 119.66 116.10 1aaf s GLN 45 Ca 0.28 -1.90 0.11 0.00 -2.00 0.00 0.00 55.36 51.85 1aaf s GLN 45 Cb -0.01 -1.96 0.97 0.00 0.80 0.00 0.00 33.01 32.80 1aaf s GLN 45 CO 0.19 -0.19 2.03 0.00 -0.50 0.00 0.00 175.29 176.82 1aaf h MET 46 N 1.34 0.21 -0.39 1.67 -0.00 -1.90 0.67 114.93 116.52 1aaf h MET 46 Ca -0.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.24 1aaf h MET 46 Cb 1.26 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.81 1aaf h MET 46 CO 0.69 0.24 0.20 -0.22 -0.00 0.00 0.00 176.91 177.82 1aaf h LYS 47 N 0.20 0.56 0.00 -0.10 3.11 -1.99 0.42 116.57 118.78 1aaf h LYS 47 Ca 0.05 -0.07 -0.07 0.00 -2.81 0.00 0.00 60.65 57.74 1aaf h LYS 47 Cb 0.16 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 1aaf h LYS 47 CO 0.00 0.47 -0.34 0.22 -2.81 0.00 0.00 179.45 177.00 1aaf h ASP 48 N 0.50 0.00 -2.85 4.20 3.58 -1.25 -3.44 116.42 117.16 1aaf h ASP 48 Ca 0.14 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 57.02 1aaf h ASP 48 Cb 0.09 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1aaf h ASP 48 CO -0.02 0.34 1.04 0.00 -2.88 0.00 0.00 179.24 177.72 1aaf h THR 50 N 5.89 0.83 0.00 0.00 1.03 -1.86 -3.47 112.91 115.32 1aaf h THR 50 Ca -0.31 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.35 1aaf h THR 50 Cb 1.13 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.65 1aaf h THR 50 CO 0.99 0.19 0.00 1.21 -0.01 0.00 0.00 175.52 177.90 1aaf n GLU 51 N -3.87 0.00 0.00 0.00 2.13 -1.26 -3.33 120.64 114.30 1aaf n GLU 51 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1aaf n GLU 51 Cb 0.28 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.99 1aaf n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1aaf n ARG 52 N 0.00 0.00 0.01 5.31 0.63 -1.26 -5.05 116.66 116.30 1aaf n ARG 52 Ca 0.00 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1aaf n ARG 52 Cb 0.00 -0.66 0.00 0.00 0.45 0.00 0.00 32.46 32.25 1aaf n ARG 52 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aaf n GLN 53 N -0.97 0.00 -2.60 -0.14 10.64 -1.21 -5.08 117.38 118.02 1aaf n GLN 53 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1aaf n GLN 53 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1aaf n ALA 54 N -2.33 -3.52 -0.55 2.61 0.00 -1.26 -5.05 120.51 110.42 1aaf n ALA 54 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.37 1aaf n ALA 54 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1aaf n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79