#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9k s ILE 2 N 0.00 2.09 0.35 0.00 -4.36 -1.26 -4.82 121.20 113.19 2b9k s ILE 2 Ca 0.00 0.03 0.09 0.00 -0.26 0.00 0.00 60.65 60.51 2b9k s ILE 2 Cb 0.00 -2.06 -0.06 0.00 1.25 0.00 0.00 42.46 41.58 2b9k s ILE 2 CO 0.00 -0.04 -0.08 -0.54 0.24 0.00 0.00 174.94 174.53 2b9k s LYS 3 N -4.65 1.86 -0.05 0.37 1.02 0.77 -4.98 119.74 114.07 2b9k s LYS 3 Ca 0.67 -1.93 0.06 0.00 0.02 0.00 0.00 55.97 54.79 2b9k s LYS 3 Cb -0.23 -1.73 -0.01 0.00 -0.52 0.00 0.00 37.83 35.35 2b9k s LYS 3 CO 0.58 0.13 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.38 2b9k s LEU 4 N -3.63 2.06 0.01 3.17 1.43 -1.26 -1.72 118.68 118.74 2b9k s LEU 4 Ca 0.33 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2b9k s LEU 4 Cb 0.03 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 2b9k s LEU 4 CO 0.17 0.25 -0.03 -0.69 0.23 0.00 0.00 176.35 176.28 2b9k s VAL 5 N -0.20 0.20 -0.28 -1.59 1.01 -0.97 -5.02 120.40 113.55 2b9k s VAL 5 Ca -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2b9k s VAL 5 Cb -0.13 -0.22 0.12 0.00 0.00 0.00 0.00 36.38 36.15 2b9k s VAL 5 CO 0.03 -0.10 0.25 -1.10 0.00 0.00 0.00 175.10 174.18 2b9k s GLN 6 N -0.47 0.27 -0.02 2.72 -0.21 -1.26 -1.54 119.66 119.15 2b9k s GLN 6 Ca -0.03 -0.18 -0.19 0.00 0.02 0.00 0.00 55.36 54.98 2b9k s GLN 6 Cb -0.03 -0.85 0.03 0.00 1.00 0.00 0.00 33.01 33.16 2b9k s GLN 6 CO -0.00 -0.97 0.40 -1.12 -2.12 0.00 0.00 175.29 171.48 2b9k s SER 7 N 2.30 -0.31 0.35 5.90 0.01 -0.42 -4.99 113.70 116.54 2b9k s SER 7 Ca 0.09 0.25 0.16 0.00 1.31 0.00 0.00 55.95 57.76 2b9k s SER 7 Cb -0.15 0.37 0.64 0.00 0.21 0.00 0.00 66.02 67.10 2b9k s SER 7 CO -0.31 -0.48 1.73 1.55 0.41 0.00 0.00 173.24 176.14 2b9k h PRO 8 N 3.67 0.00 0.00 12.44 0.13 -1.88 -1.74 132.00 144.62 2b9k h PRO 8 Ca -0.29 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 2b9k h PRO 8 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2b9k h PRO 8 CO 0.40 0.43 -0.32 -2.95 -0.23 0.00 0.00 178.00 175.33 2b9k h ASN 9 N 0.00 0.00 -5.37 1.44 7.08 -1.93 -3.39 115.58 113.40 2b9k h ASN 9 Ca -0.00 0.00 -0.38 0.00 -3.08 0.00 0.00 56.30 52.84 2b9k h ASN 9 Cb 0.88 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 37.05 2b9k h ASN 9 CO 0.06 0.32 -0.56 0.61 -2.08 0.00 0.00 177.43 175.78 2b9k n GLY 10 N 0.22 -0.49 3.55 9.14 0.00 -1.22 -4.84 105.19 111.55 2b9k n GLY 10 Ca -0.00 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2b9k n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b9k n ASN 11 N -2.30 2.13 -4.60 1.61 5.15 -1.26 -4.91 115.26 111.07 2b9k n ASN 11 Ca -0.02 -0.57 -0.43 0.00 -0.60 0.00 0.00 54.58 52.96 2b9k n ASN 11 Cb 0.55 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.22 2b9k n ASN 11 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2b9k s PHE 12 N 12.27 1.95 -0.82 1.20 5.36 -1.26 -4.88 117.98 131.80 2b9k s PHE 12 Ca 1.00 0.61 0.23 0.00 -0.96 0.00 0.00 56.93 57.81 2b9k s PHE 12 Cb -0.23 -4.14 0.20 0.00 -0.34 0.00 0.00 43.02 38.51 2b9k s PHE 12 CO 0.26 -2.81 1.18 0.00 -1.46 0.00 0.00 175.22 172.38 2b9k n ALA 13 N 9.74 3.63 0.00 11.12 0.00 -1.26 -5.00 120.51 138.74 2b9k n ALA 13 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2b9k n ALA 13 Cb 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2b9k n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b9k n ALA 14 N -1.65 0.00 -3.53 0.00 0.00 -1.26 -4.69 120.51 109.37 2b9k n ALA 14 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 2b9k n ALA 14 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 2b9k n ALA 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2b9k s SER 15 N 0.00 -0.40 0.37 0.00 1.04 -1.26 -0.99 113.70 112.46 2b9k s SER 15 Ca 0.00 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 2b9k s SER 15 Cb 0.00 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2b9k s SER 15 CO 0.00 -0.80 0.77 0.12 0.98 0.00 0.00 173.24 174.30 2b9k s PHE 16 N -3.38 0.13 -0.03 5.02 5.36 -0.18 -4.95 117.98 119.95 2b9k s PHE 16 Ca 0.05 -0.76 0.01 0.00 -0.96 0.00 0.00 56.93 55.27 2b9k s PHE 16 Cb -0.01 0.78 0.02 0.00 -0.34 0.00 0.00 43.02 43.47 2b9k s PHE 16 CO -0.08 -1.51 -0.02 0.08 -1.46 0.00 0.00 175.22 172.23 2b9k s VAL 17 N -2.54 0.32 -0.15 3.12 1.01 -1.26 -0.79 120.40 120.11 2b9k s VAL 17 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 2b9k s VAL 17 Cb -0.05 -0.39 0.05 0.00 0.00 0.00 0.00 36.38 36.00 2b9k s VAL 17 CO 0.11 0.18 0.55 -0.22 0.00 0.00 0.00 175.10 175.72 2b9k s LEU 18 N 0.97 -0.11 -1.51 3.92 2.96 -0.49 -4.95 118.68 119.47 2b9k s LEU 18 Ca -0.11 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 54.64 2b9k s LEU 18 Cb -0.14 1.96 0.04 0.00 0.50 0.00 0.00 46.19 48.55 2b9k s LEU 18 CO -0.01 -0.32 0.41 -0.67 -1.32 0.00 0.00 176.35 174.44 2b9k n ASP 19 N 2.14 -0.71 -1.77 3.68 2.03 -1.26 -1.47 116.55 119.19 2b9k n ASP 19 Ca -0.16 -1.07 -0.19 0.00 0.52 0.00 0.00 54.79 53.89 2b9k n ASP 19 Cb 0.56 -2.67 -0.06 0.00 -0.72 0.00 0.00 41.12 38.24 2b9k n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b9k n GLY 20 N -1.96 1.00 3.06 0.27 0.00 -1.26 -4.96 105.19 101.33 2b9k n GLY 20 Ca -0.22 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 2b9k n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b9k s THR 21 N -2.82 0.62 0.23 2.61 2.01 -0.54 -5.16 115.64 112.60 2b9k s THR 21 Ca 0.00 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 2b9k s THR 21 Cb 0.00 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.80 2b9k s THR 21 CO 0.00 -0.24 0.54 -0.75 -0.69 0.00 0.00 174.62 173.48 2b9k s LYS 22 N -1.30 3.78 -0.00 4.92 2.20 -1.26 -1.39 119.74 126.69 2b9k s LYS 22 Ca -0.06 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.81 2b9k s LYS 22 Cb -0.08 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2b9k s LYS 22 CO 0.01 0.32 -0.06 -1.58 -0.36 0.00 0.00 175.35 173.67 2b9k s TRP 23 N -1.83 0.56 0.11 4.03 0.52 0.03 -4.95 118.94 117.41 2b9k s TRP 23 Ca 0.47 -0.12 -0.19 0.00 0.02 0.00 0.00 56.10 56.28 2b9k s TRP 23 Cb -0.11 -0.36 0.05 0.00 -1.15 0.00 0.00 33.47 31.89 2b9k s TRP 23 CO 0.22 -0.01 0.47 -1.50 0.02 0.00 0.00 176.95 176.14 2b9k s ILE 24 N -0.19 0.05 0.85 2.03 2.07 0.64 -1.01 121.20 125.63 2b9k s ILE 24 Ca 0.02 -0.38 -0.13 0.00 -1.41 0.00 0.00 60.65 58.76 2b9k s ILE 24 Cb -0.03 -1.07 0.08 0.00 0.13 0.00 0.00 42.46 41.57 2b9k s ILE 24 CO -0.00 -0.21 1.01 0.33 -1.91 0.00 0.00 174.94 174.16 2b9k n PHE 25 N -0.06 0.59 0.12 3.50 7.35 -0.17 -1.45 117.46 127.34 2b9k n PHE 25 Ca -0.17 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2b9k n PHE 25 Cb 0.63 -2.02 0.00 0.00 0.35 0.00 0.00 39.48 38.44 2b9k n PHE 25 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2b9k n LYS 26 N -3.06 0.00 -3.69 -4.13 0.00 -1.24 -4.71 118.16 101.33 2b9k n LYS 26 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.28 2b9k n LYS 26 Cb 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 35.03 35.45 2b9k n LYS 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2b9k s SER 27 N -4.85 -0.34 0.05 3.14 0.01 -0.14 -5.01 113.70 106.57 2b9k s SER 27 Ca 0.00 0.31 -0.11 0.00 1.31 0.00 0.00 55.95 57.46 2b9k s SER 27 Cb 0.00 0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.65 2b9k s SER 27 CO 0.00 -0.47 0.24 -1.59 0.41 0.00 0.00 173.24 171.83 2b9k s LYS 28 N -1.18 0.78 0.15 12.44 -2.85 -1.26 -1.29 119.74 126.52 2b9k s LYS 28 Ca -0.12 -0.66 -0.18 0.00 -1.00 0.00 0.00 55.97 54.01 2b9k s LYS 28 Cb -0.04 0.33 0.04 0.00 -2.06 0.00 0.00 37.83 36.10 2b9k s LYS 28 CO 0.06 -0.24 0.47 1.52 0.10 0.00 0.00 175.35 177.26 2b9k s TYR 29 N -2.87 -0.26 -0.28 1.78 1.13 -0.11 -4.98 117.35 111.76 2b9k s TYR 29 Ca -0.03 -0.04 -0.18 0.00 -1.41 0.00 0.00 57.07 55.42 2b9k s TYR 29 Cb 0.00 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 41.19 2b9k s TYR 29 CO -0.05 -0.78 0.50 -0.47 -2.51 0.00 0.00 175.55 172.24 2b9k s TYR 30 N -3.81 3.24 -1.22 -3.49 5.04 -1.26 -0.88 117.35 114.98 2b9k s TYR 30 Ca 0.04 0.52 -0.15 0.00 -2.44 0.00 0.00 57.07 55.04 2b9k s TYR 30 Cb 0.01 -2.76 0.15 0.00 0.35 0.00 0.00 41.96 39.71 2b9k s TYR 30 CO -0.10 -0.33 1.49 0.34 -1.34 0.00 0.00 175.55 175.61 2b9k s ASP 31 N 1.60 7.02 0.58 4.32 2.15 0.14 -4.86 116.67 127.62 2b9k s ASP 31 Ca 0.20 -2.86 0.29 0.00 0.43 0.00 0.00 52.55 50.61 2b9k s ASP 31 Cb -0.16 -2.44 1.49 0.00 -0.30 0.00 0.00 42.92 41.51 2b9k s ASP 31 CO 0.10 -0.84 1.93 0.28 -0.17 0.00 0.00 175.17 176.47 2b9k h SER 32 N 7.28 0.00 0.28 -0.34 0.02 -1.95 0.12 113.55 118.96 2b9k h SER 32 Ca 0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2b9k h SER 32 Cb 0.88 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 2b9k h SER 32 CO 1.29 0.00 -0.02 0.28 -1.14 0.00 0.00 176.83 177.24 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.15 113.55 111.54 2b9k h SER 33 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2b9k h SER 33 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2b9k h SER 33 CO -0.00 0.02 -0.16 0.29 -1.14 0.00 0.00 176.83 175.83 2b9k n LYS 34 N -3.24 4.03 -2.67 3.45 5.02 -0.17 -5.06 118.16 119.52 2b9k n LYS 34 Ca -0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.22 2b9k n LYS 34 Cb 0.15 -0.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.72 2b9k n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b9k n GLY 35 N 0.92 0.55 3.30 0.72 0.00 0.23 -5.07 105.19 105.84 2b9k n GLY 35 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 2b9k n GLY 35 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2b9k s TYR 36 N -3.07 0.46 0.43 1.61 -0.85 -1.23 -4.83 117.35 109.86 2b9k s TYR 36 Ca 0.11 -0.83 -0.21 0.00 -0.52 0.00 0.00 57.07 55.61 2b9k s TYR 36 Cb -0.05 -0.13 -0.11 0.00 0.38 0.00 0.00 41.96 42.05 2b9k s TYR 36 CO 0.17 -0.67 0.96 -1.58 -1.52 0.00 0.00 175.55 172.90 2b9k s TRP 37 N -3.97 3.32 0.04 -3.49 0.52 -0.66 -0.68 118.94 114.01 2b9k s TRP 37 Ca 0.17 1.62 0.02 0.00 0.02 0.00 0.00 56.10 57.94 2b9k s TRP 37 Cb 0.04 -2.88 -0.02 0.00 -1.15 0.00 0.00 33.47 29.46 2b9k s TRP 37 CO -0.00 -0.15 -0.08 0.08 0.02 0.00 0.00 176.95 176.82 2b9k s VAL 38 N -2.11 0.55 0.16 4.03 1.01 -0.06 -1.30 120.40 122.68 2b9k s VAL 38 Ca 0.61 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 2b9k s VAL 38 Cb -0.11 -0.60 0.06 0.00 0.00 0.00 0.00 36.38 35.73 2b9k s VAL 38 CO 0.15 -0.33 0.80 -0.83 0.00 0.00 0.00 175.10 174.89 2b9k s GLY 39 N -1.46 -0.32 -0.22 4.51 0.00 -0.59 -0.94 107.32 108.31 2b9k s GLY 39 Ca -0.09 0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.83 2b9k s GLY 39 CO 0.00 0.07 -0.02 -0.42 0.00 0.00 0.00 173.10 172.74 2b9k s ILE 40 N -3.53 3.57 -0.08 0.90 1.01 -0.41 -2.29 121.20 120.37 2b9k s ILE 40 Ca 0.08 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 2b9k s ILE 40 Cb -0.03 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.83 2b9k s ILE 40 CO -0.02 0.41 0.21 -0.47 0.00 0.00 0.00 174.94 175.07 2b9k s TYR 41 N 1.48 -0.23 -0.38 3.97 6.14 -0.70 -0.97 117.35 126.66 2b9k s TYR 41 Ca 0.06 0.57 0.05 0.00 0.64 0.00 0.00 57.07 58.39 2b9k s TYR 41 Cb -0.14 0.07 0.49 0.00 0.42 0.00 0.00 41.96 42.79 2b9k s TYR 41 CO -0.02 -0.12 1.52 -1.91 0.64 0.00 0.00 175.55 175.66 2b9k n GLU 42 N 3.09 2.63 0.00 4.97 2.13 -0.53 -0.16 120.64 132.77 2b9k n GLU 42 Ca -0.14 -3.54 0.00 0.00 0.66 0.00 0.00 57.16 54.15 2b9k n GLU 42 Cb 0.58 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.20 2b9k n GLU 42 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2b9k n VAL 43 N -0.94 0.00 -1.78 6.31 3.14 -1.19 -0.26 118.33 123.60 2b9k n VAL 43 Ca 0.45 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.48 2b9k n VAL 43 Cb 0.95 -0.06 0.05 0.00 -1.06 0.00 0.00 33.84 33.72 2b9k n VAL 43 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 2b9k s TRP 44 N -1.46 2.37 -0.25 1.45 -0.00 -1.26 -4.97 118.94 114.82 2b9k s TRP 44 Ca 0.00 1.56 0.15 0.00 -0.00 0.00 0.00 56.10 57.81 2b9k s TRP 44 Cb 0.00 -3.37 0.39 0.00 -0.00 0.00 0.00 33.47 30.49 2b9k s TRP 44 CO 0.00 -2.13 1.33 -3.47 -0.00 0.00 0.00 176.95 172.68 2b9k n ASP 45 N -2.16 -0.36 0.00 5.86 2.03 -1.26 -4.89 116.55 115.77 2b9k n ASP 45 Ca 0.12 -2.12 0.00 0.00 0.52 0.00 0.00 54.79 53.31 2b9k n ASP 45 Cb 0.51 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 2b9k n ASP 45 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2b9k n ARG 46 N -0.96 0.00 0.00 -0.67 0.63 -1.26 -5.16 116.66 109.24 2b9k n ARG 46 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2b9k n ARG 46 Cb 0.85 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.68 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29