#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 2.00 0.30 0.00 -4.36 -1.26 -4.83 121.20 113.05 2b9k s ILE 2 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.46 2b9k s ILE 2 Cb 0.00 -2.02 -0.06 0.00 1.25 0.00 0.00 42.46 41.63 2b9k s ILE 2 CO 0.00 -0.00 -0.06 -0.54 0.24 0.00 0.00 174.94 174.58 2b9k s LYS 3 N -4.61 1.65 -0.04 0.37 1.02 0.62 -4.97 119.74 113.77 2b9k s LYS 3 Ca 0.67 -1.84 0.07 0.00 0.02 0.00 0.00 55.97 54.89 2b9k s LYS 3 Cb -0.23 -1.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 2b9k s LYS 3 CO 0.58 0.06 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.30 2b9k s LEU 4 N -3.50 2.06 0.01 3.17 1.43 -1.26 -1.44 118.68 119.15 2b9k s LEU 4 Ca 0.31 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2b9k s LEU 4 Cb 0.04 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 2b9k s LEU 4 CO 0.14 0.28 0.07 -0.69 0.23 0.00 0.00 176.35 176.37 2b9k s VAL 5 N -0.37 0.10 -0.18 -1.59 1.01 -0.99 -4.99 120.40 113.39 2b9k s VAL 5 Ca 0.03 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 2b9k s VAL 5 Cb -0.12 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 35.91 2b9k s VAL 5 CO 0.02 -0.45 0.47 0.00 0.00 0.00 0.00 175.10 175.14 2b9k s GLN 6 N -1.52 0.51 -0.11 2.72 0.00 -1.26 -1.03 119.66 118.97 2b9k s GLN 6 Ca -0.14 0.76 -0.30 0.00 -0.00 0.00 0.00 55.36 55.67 2b9k s GLN 6 Cb -0.08 0.15 0.12 0.00 0.00 0.00 0.00 33.01 33.20 2b9k s GLN 6 CO 0.00 -0.11 0.98 -1.12 0.00 0.00 0.00 175.29 175.05 2b9k s SER 7 N 0.79 -0.34 0.50 12.60 0.01 -0.58 -4.99 113.70 121.68 2b9k s SER 7 Ca -0.04 0.19 0.27 0.00 1.31 0.00 0.00 55.95 57.68 2b9k s SER 7 Cb -0.05 0.31 1.25 0.00 0.21 0.00 0.00 66.02 67.74 2b9k s SER 7 CO -0.06 -0.43 1.97 1.55 0.41 0.00 0.00 173.24 176.68 2b9k h PRO 8 N 2.27 0.00 0.00 12.44 0.13 -1.88 -1.86 132.00 143.10 2b9k h PRO 8 Ca -0.18 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.83 2b9k h PRO 8 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2b9k h PRO 8 CO 0.30 0.15 -0.55 -0.97 -0.23 0.00 0.00 178.00 176.70 2b9k h ASN 9 N 0.00 0.00 -6.21 1.44 -0.73 -1.97 -3.40 115.58 104.71 2b9k h ASN 9 Ca -0.00 0.00 -0.46 0.00 1.87 0.00 0.00 56.30 57.71 2b9k h ASN 9 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.11 2b9k h ASN 9 CO 0.02 0.55 -0.77 0.61 -0.37 0.00 0.00 177.43 177.47 2b9k n GLY 10 N 0.09 -0.46 3.55 1.57 0.00 -1.13 -4.77 105.19 104.04 2b9k n GLY 10 Ca -0.01 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2b9k n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b9k s ASN 11 N -3.54 4.63 -0.06 1.61 3.84 -1.26 -4.91 114.94 115.24 2b9k s ASN 11 Ca 0.52 0.69 -0.30 0.00 0.21 0.00 0.00 52.86 53.98 2b9k s ASN 11 Cb -0.25 -2.52 -0.05 0.00 -0.55 0.00 0.00 41.25 37.88 2b9k s ASN 11 CO 0.82 -2.85 1.49 0.12 -2.79 0.00 0.00 177.10 173.88 2b9k s PHE 12 N 11.56 2.44 -0.88 0.43 5.36 -1.26 -4.91 117.98 130.73 2b9k s PHE 12 Ca 0.88 0.57 0.16 0.00 -0.96 0.00 0.00 56.93 57.57 2b9k s PHE 12 Cb -0.15 -3.75 -0.13 0.00 -0.34 0.00 0.00 43.02 38.65 2b9k s PHE 12 CO 0.21 -2.94 0.70 0.00 -1.46 0.00 0.00 175.22 171.73 2b9k n ALA 13 N 6.48 3.85 0.00 11.12 0.00 -1.26 -5.03 120.51 135.67 2b9k n ALA 13 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2b9k n ALA 13 Cb 0.43 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.12 0.00 -3.56 0.00 0.00 -1.26 -4.69 120.51 109.88 2b9k n ALA 14 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 2b9k n ALA 14 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.36 0.35 0.00 1.04 -1.26 -0.88 113.70 112.58 2b9k s SER 15 Ca 0.00 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.15 2b9k s SER 15 Cb 0.00 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2b9k s SER 15 CO 0.00 -0.80 0.73 0.12 0.98 0.00 0.00 173.24 174.27 2b9k s PHE 16 N -3.34 0.12 -0.03 5.02 5.36 -0.14 -4.95 117.98 120.03 2b9k s PHE 16 Ca 0.06 -0.69 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 2b9k s PHE 16 Cb -0.01 0.70 0.02 0.00 -0.34 0.00 0.00 43.02 43.38 2b9k s PHE 16 CO -0.07 -1.42 -0.02 0.08 -1.46 0.00 0.00 175.22 172.34 2b9k s VAL 17 N -2.90 0.27 -0.14 3.12 1.01 -1.26 -0.81 120.40 119.69 2b9k s VAL 17 Ca 0.16 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 2b9k s VAL 17 Cb -0.05 -0.32 0.04 0.00 0.00 0.00 0.00 36.38 36.06 2b9k s VAL 17 CO 0.11 0.14 0.35 -0.22 0.00 0.00 0.00 175.10 175.48 2b9k s LEU 18 N 0.72 0.36 -1.46 3.92 2.96 -0.32 -4.94 118.68 119.93 2b9k s LEU 18 Ca -0.08 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.56 2b9k s LEU 18 Cb -0.11 1.14 0.00 0.00 0.50 0.00 0.00 46.19 47.72 2b9k s LEU 18 CO -0.01 -0.15 0.27 -0.67 -1.32 0.00 0.00 176.35 174.47 2b9k n ASP 19 N 3.65 0.14 -1.18 3.68 2.03 -1.26 -1.46 116.55 122.15 2b9k n ASP 19 Ca -0.19 -1.10 -0.15 0.00 0.52 0.00 0.00 54.79 53.87 2b9k n ASP 19 Cb 0.56 -2.53 -0.06 0.00 -0.72 0.00 0.00 41.12 38.37 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 -2.20 1.29 3.12 0.27 0.00 -1.26 -4.99 105.19 101.43 2b9k n GLY 20 Ca -0.32 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.56 1.14 0.25 2.61 2.01 -0.54 -5.15 115.64 113.40 2b9k s THR 21 Ca 0.00 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 2b9k s THR 21 Cb 0.00 -0.96 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 2b9k s THR 21 CO 0.00 0.31 0.57 -0.75 -0.69 0.00 0.00 174.62 174.06 2b9k s LYS 22 N -0.37 3.81 -0.01 4.92 2.20 -1.26 -1.17 119.74 127.86 2b9k s LYS 22 Ca 0.05 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.98 2b9k s LYS 22 Cb -0.06 -2.62 -0.00 0.00 -1.51 0.00 0.00 37.83 33.64 2b9k s LYS 22 CO -0.00 0.29 -0.05 -1.58 -0.36 0.00 0.00 175.35 173.65 2b9k s TRP 23 N -1.86 0.44 0.09 4.03 0.52 0.01 -4.95 118.94 117.22 2b9k s TRP 23 Ca 0.48 -0.08 -0.18 0.00 0.02 0.00 0.00 56.10 56.33 2b9k s TRP 23 Cb -0.11 -0.30 0.04 0.00 -1.15 0.00 0.00 33.47 31.95 2b9k s TRP 23 CO 0.22 -0.02 0.44 -1.50 0.02 0.00 0.00 176.95 176.11 2b9k s ILE 24 N -0.02 0.05 0.75 2.03 2.07 0.72 -0.96 121.20 125.84 2b9k s ILE 24 Ca 0.01 -0.43 -0.15 0.00 -1.41 0.00 0.00 60.65 58.66 2b9k s ILE 24 Cb -0.03 -1.06 0.00 0.00 0.13 0.00 0.00 42.46 41.51 2b9k s ILE 24 CO -0.00 -0.24 0.79 0.33 -1.91 0.00 0.00 174.94 173.91 2b9k n PHE 25 N 0.09 0.02 0.08 3.50 7.35 -0.06 -1.54 117.46 126.90 2b9k n PHE 25 Ca -0.17 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2b9k n PHE 25 Cb 0.62 -2.00 0.00 0.00 0.35 0.00 0.00 39.48 38.45 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 -1.60 0.00 -3.71 -4.13 0.00 -1.24 -4.73 118.16 102.75 2b9k n LYS 26 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.28 2b9k n LYS 26 Cb 0.50 -0.02 -0.08 0.00 0.00 0.00 0.00 35.03 35.43 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 -5.03 -0.29 -0.10 3.14 0.01 -0.09 -5.01 113.70 106.33 2b9k s SER 27 Ca 0.00 0.21 -0.13 0.00 1.31 0.00 0.00 55.95 57.34 2b9k s SER 27 Cb 0.00 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.62 2b9k s SER 27 CO 0.00 -0.49 0.33 -0.75 0.41 0.00 0.00 173.24 172.74 2b9k s LYS 28 N -1.36 0.47 0.06 12.44 2.20 -1.26 -1.20 119.74 131.08 2b9k s LYS 28 Ca -0.13 0.30 -0.14 0.00 -0.36 0.00 0.00 55.97 55.64 2b9k s LYS 28 Cb -0.04 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2b9k s LYS 28 CO 0.05 -0.08 0.31 1.52 -0.36 0.00 0.00 175.35 176.79 2b9k s TYR 29 N -0.22 -0.11 -0.23 4.03 1.13 0.14 -4.98 117.35 117.11 2b9k s TYR 29 Ca -0.04 -0.07 -0.17 0.00 -1.41 0.00 0.00 57.07 55.39 2b9k s TYR 29 Cb -0.03 0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.91 2b9k s TYR 29 CO 0.01 -0.54 0.47 -0.47 -2.51 0.00 0.00 175.55 172.52 2b9k s TYR 30 N -2.80 3.31 -0.86 -3.49 5.04 -1.26 -0.68 117.35 116.61 2b9k s TYR 30 Ca -0.03 0.63 -0.15 0.00 -2.44 0.00 0.00 57.07 55.07 2b9k s TYR 30 Cb -0.00 -2.64 0.19 0.00 0.35 0.00 0.00 41.96 39.86 2b9k s TYR 30 CO -0.05 -0.17 0.88 0.34 -1.34 0.00 0.00 175.55 175.21 2b9k s ASP 31 N 1.35 6.73 0.38 4.32 2.15 0.25 -4.90 116.67 126.94 2b9k s ASP 31 Ca 0.20 -2.50 0.22 0.00 0.43 0.00 0.00 52.55 50.90 2b9k s ASP 31 Cb -0.15 -2.27 1.17 0.00 -0.30 0.00 0.00 42.92 41.37 2b9k s ASP 31 CO 0.09 -0.72 1.63 0.28 -0.17 0.00 0.00 175.17 176.28 2b9k h SER 32 N 8.09 0.00 0.23 -0.34 0.02 -1.95 0.65 113.55 120.25 2b9k h SER 32 Ca 0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2b9k h SER 32 Cb 1.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2b9k h SER 32 CO 0.86 0.00 -0.12 0.28 -1.14 0.00 0.00 176.83 176.71 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.94 -3.25 113.55 111.44 2b9k h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b9k h SER 33 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2b9k h SER 33 CO 0.00 0.12 -0.33 0.29 -1.14 0.00 0.00 176.83 175.77 2b9k n LYS 34 N -3.95 3.47 -2.45 3.45 4.76 -0.71 -5.06 118.16 117.67 2b9k n LYS 34 Ca -0.02 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.37 2b9k n LYS 34 Cb 0.21 -0.59 0.02 0.00 -1.84 0.00 0.00 35.03 32.83 2b9k n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b9k n GLY 35 N 1.21 0.36 3.29 0.72 0.00 0.14 -5.08 105.19 105.83 2b9k n GLY 35 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.08 0.61 0.46 1.61 -0.85 -1.19 -4.82 117.35 110.08 2b9k s TYR 36 Ca 0.04 -0.96 -0.17 0.00 -0.52 0.00 0.00 57.07 55.46 2b9k s TYR 36 Cb -0.02 -0.21 -0.09 0.00 0.38 0.00 0.00 41.96 42.02 2b9k s TYR 36 CO 0.17 -0.67 0.92 -1.58 -1.52 0.00 0.00 175.55 172.87 2b9k s TRP 37 N -4.01 3.40 0.05 -3.49 0.52 -0.71 -0.59 118.94 114.10 2b9k s TRP 37 Ca 0.22 1.44 -0.00 0.00 0.02 0.00 0.00 56.10 57.77 2b9k s TRP 37 Cb 0.05 -2.74 -0.03 0.00 -1.15 0.00 0.00 33.47 29.59 2b9k s TRP 37 CO 0.02 -0.21 -0.04 0.08 0.02 0.00 0.00 176.95 176.83 2b9k s VAL 38 N -2.39 0.27 0.19 4.03 1.01 0.15 -1.53 120.40 122.12 2b9k s VAL 38 Ca 0.58 -1.49 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 2b9k s VAL 38 Cb -0.10 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.26 2b9k s VAL 38 CO 0.24 -0.78 0.87 -0.83 0.00 0.00 0.00 175.10 174.60 2b9k s GLY 39 N -2.37 -0.20 -0.24 4.51 0.00 -0.20 -0.68 107.32 108.13 2b9k s GLY 39 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2b9k s GLY 39 CO -0.06 -0.01 -0.12 -0.42 0.00 0.00 0.00 173.10 172.50 2b9k s ILE 40 N -3.49 2.33 -0.02 0.90 1.01 -0.34 -2.36 121.20 119.23 2b9k s ILE 40 Ca 0.11 -1.34 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 2b9k s ILE 40 Cb -0.03 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.22 2b9k s ILE 40 CO 0.03 0.14 0.04 -0.47 0.00 0.00 0.00 174.94 174.68 2b9k s TYR 41 N 1.20 -0.01 -0.47 3.97 6.14 -0.52 -0.92 117.35 126.74 2b9k s TYR 41 Ca -0.04 0.15 0.03 0.00 0.64 0.00 0.00 57.07 57.85 2b9k s TYR 41 Cb -0.18 -0.14 0.51 0.00 0.42 0.00 0.00 41.96 42.58 2b9k s TYR 41 CO -0.07 -0.07 1.73 -1.91 0.64 0.00 0.00 175.55 175.87 2b9k n GLU 42 N 3.82 2.59 0.00 4.97 2.13 -0.59 -0.28 120.64 133.28 2b9k n GLU 42 Ca -0.22 -3.38 0.00 0.00 0.66 0.00 0.00 57.16 54.22 2b9k n GLU 42 Cb 0.53 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 -0.97 0.00 -1.93 6.31 3.14 -1.20 -0.20 118.33 123.47 2b9k n VAL 43 Ca 0.53 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.50 2b9k n VAL 43 Cb 1.01 -0.13 -0.00 0.00 -1.06 0.00 0.00 33.84 33.66 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 -1.83 2.71 -0.12 1.45 -0.00 -1.26 -4.93 118.94 114.96 2b9k s TRP 44 Ca 0.00 1.30 0.15 0.00 -0.00 0.00 0.00 56.10 57.56 2b9k s TRP 44 Cb 0.00 -3.84 0.36 0.00 -0.00 0.00 0.00 33.47 29.99 2b9k s TRP 44 CO 0.00 -2.52 1.17 -3.47 -0.00 0.00 0.00 176.95 172.13 2b9k n ASP 45 N 0.27 1.45 0.00 5.86 2.03 -1.26 -4.87 116.55 120.03 2b9k n ASP 45 Ca 0.03 -3.05 0.00 0.00 0.52 0.00 0.00 54.79 52.29 2b9k n ASP 45 Cb 0.41 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.62 0.00 -0.11 -0.67 0.63 -1.26 -5.15 116.66 109.48 2b9k n ARG 46 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2b9k n ARG 46 Cb 0.81 -0.40 0.00 0.00 0.45 0.00 0.00 32.46 33.32 2b9k n ARG 46 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75