#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 2.05 0.23 0.00 -4.36 -1.26 -4.84 121.20 113.01 2b9k s ILE 2 Ca 0.00 0.01 0.06 0.00 -0.26 0.00 0.00 60.65 60.46 2b9k s ILE 2 Cb 0.00 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.61 2b9k s ILE 2 CO 0.00 -0.02 -0.08 -0.54 0.24 0.00 0.00 174.94 174.54 2b9k s LYS 3 N -4.55 1.37 -0.08 0.37 1.02 0.75 -4.98 119.74 113.64 2b9k s LYS 3 Ca 0.68 -1.65 0.04 0.00 0.02 0.00 0.00 55.97 55.05 2b9k s LYS 3 Cb -0.24 -0.96 -0.01 0.00 -0.52 0.00 0.00 37.83 36.10 2b9k s LYS 3 CO 0.61 0.06 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.40 2b9k s LEU 4 N -3.34 2.40 0.02 3.17 1.43 -1.26 -1.57 118.68 119.53 2b9k s LEU 4 Ca 0.25 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2b9k s LEU 4 Cb 0.03 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 2b9k s LEU 4 CO 0.08 0.24 -0.02 -0.69 0.23 0.00 0.00 176.35 176.18 2b9k s VAL 5 N -0.10 0.10 -0.10 -1.59 1.01 -0.87 -5.01 120.40 113.85 2b9k s VAL 5 Ca -0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2b9k s VAL 5 Cb -0.14 -0.21 0.05 0.00 0.00 0.00 0.00 36.38 36.08 2b9k s VAL 5 CO 0.04 -0.35 0.21 -1.10 0.00 0.00 0.00 175.10 173.90 2b9k s GLN 6 N -1.06 0.13 -0.11 2.72 -0.21 -1.26 -1.41 119.66 118.47 2b9k s GLN 6 Ca -0.11 0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.51 2b9k s GLN 6 Cb -0.07 -0.14 0.12 0.00 1.00 0.00 0.00 33.01 33.91 2b9k s GLN 6 CO -0.01 -0.22 0.96 -1.12 -2.12 0.00 0.00 175.29 172.78 2b9k s SER 7 N 1.67 -0.37 0.44 5.90 0.01 -0.55 -4.97 113.70 115.83 2b9k s SER 7 Ca -0.05 0.29 0.23 0.00 1.31 0.00 0.00 55.95 57.73 2b9k s SER 7 Cb -0.11 0.33 0.96 0.00 0.21 0.00 0.00 66.02 67.41 2b9k s SER 7 CO -0.07 -0.43 1.85 1.55 0.41 0.00 0.00 173.24 176.55 2b9k h PRO 8 N 2.40 0.00 0.00 12.44 0.13 -1.86 -1.05 132.00 144.06 2b9k h PRO 8 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2b9k h PRO 8 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2b9k h PRO 8 CO 0.31 0.24 0.00 -2.95 -0.23 0.00 0.00 178.00 175.37 2b9k h ASN 9 N 0.00 0.00 -4.04 1.44 7.08 -1.95 -3.40 115.58 114.72 2b9k h ASN 9 Ca -0.00 0.00 -0.25 0.00 -3.08 0.00 0.00 56.30 52.97 2b9k h ASN 9 Cb 0.70 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.92 2b9k h ASN 9 CO 0.03 0.00 -0.32 0.61 -2.08 0.00 0.00 177.43 175.67 2b9k n GLY 10 N 0.71 -0.50 3.50 9.14 0.00 -1.20 -4.81 105.19 112.04 2b9k n GLY 10 Ca 0.03 0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.84 2.02 -4.58 1.61 5.15 -1.26 -4.89 115.26 111.47 2b9k n ASN 11 Ca -0.13 0.10 -0.41 0.00 -0.60 0.00 0.00 54.58 53.53 2b9k n ASN 11 Cb 0.60 -1.33 -0.03 0.00 -0.53 0.00 0.00 39.78 38.49 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 9.06 2.17 -0.98 1.20 5.36 -1.26 -4.88 117.98 128.64 2b9k s PHE 12 Ca 1.10 0.55 0.27 0.00 -0.96 0.00 0.00 56.93 57.88 2b9k s PHE 12 Cb -0.67 -4.32 0.81 0.00 -0.34 0.00 0.00 43.02 38.50 2b9k s PHE 12 CO 0.41 -2.12 1.63 0.00 -1.46 0.00 0.00 175.22 173.69 2b9k n ALA 13 N 9.94 3.00 -0.14 11.12 0.00 -1.26 -4.98 120.51 138.19 2b9k n ALA 13 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2b9k n ALA 13 Cb 0.49 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.52 0.00 -3.54 0.00 0.00 -1.26 -4.69 120.51 109.50 2b9k n ALA 14 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 2b9k n ALA 14 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.82 -0.37 0.34 0.00 1.04 -1.26 -0.95 113.70 111.68 2b9k s SER 15 Ca 0.00 -0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.18 2b9k s SER 15 Cb 0.00 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.61 2b9k s SER 15 CO 0.00 -0.76 0.73 0.12 0.98 0.00 0.00 173.24 174.32 2b9k s PHE 16 N -3.30 0.07 -0.03 5.02 5.36 -0.21 -4.95 117.98 119.94 2b9k s PHE 16 Ca 0.06 -0.64 0.01 0.00 -0.96 0.00 0.00 56.93 55.40 2b9k s PHE 16 Cb -0.01 0.72 0.02 0.00 -0.34 0.00 0.00 43.02 43.41 2b9k s PHE 16 CO -0.07 -1.41 -0.03 0.08 -1.46 0.00 0.00 175.22 172.33 2b9k s VAL 17 N -2.99 0.40 -0.17 3.12 1.01 -1.26 -0.91 120.40 119.60 2b9k s VAL 17 Ca 0.15 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2b9k s VAL 17 Cb -0.05 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.93 2b9k s VAL 17 CO 0.10 0.19 0.44 -0.22 0.00 0.00 0.00 175.10 175.61 2b9k s LEU 18 N 0.84 0.22 -1.45 3.92 2.96 -0.46 -4.95 118.68 119.76 2b9k s LEU 18 Ca -0.10 0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 54.70 2b9k s LEU 18 Cb -0.13 1.49 0.00 0.00 0.50 0.00 0.00 46.19 48.05 2b9k s LEU 18 CO -0.00 -0.16 0.29 -0.67 -1.32 0.00 0.00 176.35 174.48 2b9k n ASP 19 N 3.15 0.04 -1.70 3.68 2.03 -1.26 -1.53 116.55 120.96 2b9k n ASP 19 Ca -0.15 -1.09 -0.19 0.00 0.52 0.00 0.00 54.79 53.87 2b9k n ASP 19 Cb 0.57 -2.60 -0.06 0.00 -0.72 0.00 0.00 41.12 38.31 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 -2.17 1.12 3.12 0.27 0.00 -1.26 -4.97 105.19 101.30 2b9k n GLY 20 Ca -0.32 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.79 1.03 0.17 2.61 2.01 -0.58 -5.15 115.64 112.93 2b9k s THR 21 Ca 0.00 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 2b9k s THR 21 Cb 0.00 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 2b9k s THR 21 CO 0.00 0.02 0.40 -0.75 -0.69 0.00 0.00 174.62 173.60 2b9k s LYS 22 N -1.02 3.61 -0.00 4.92 2.20 -1.26 -1.36 119.74 126.83 2b9k s LYS 22 Ca 0.01 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.53 2b9k s LYS 22 Cb -0.07 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2b9k s LYS 22 CO 0.01 0.43 -0.02 -1.58 -0.36 0.00 0.00 175.35 173.83 2b9k s TRP 23 N -1.73 0.21 0.10 4.03 0.52 -0.09 -4.96 118.94 117.03 2b9k s TRP 23 Ca 0.41 -0.03 -0.19 0.00 0.02 0.00 0.00 56.10 56.31 2b9k s TRP 23 Cb -0.12 -0.15 0.04 0.00 -1.15 0.00 0.00 33.47 32.09 2b9k s TRP 23 CO 0.25 -0.01 0.46 -1.50 0.02 0.00 0.00 176.95 176.17 2b9k s ILE 24 N 0.03 0.05 0.84 2.03 2.07 0.52 -1.04 121.20 125.69 2b9k s ILE 24 Ca 0.00 -0.40 -0.14 0.00 -1.41 0.00 0.00 60.65 58.70 2b9k s ILE 24 Cb -0.02 -1.07 0.04 0.00 0.13 0.00 0.00 42.46 41.54 2b9k s ILE 24 CO -0.00 -0.22 0.76 0.33 -1.91 0.00 0.00 174.94 173.90 2b9k n PHE 25 N -0.02 -0.18 0.13 3.50 7.35 -0.13 -1.48 117.46 126.63 2b9k n PHE 25 Ca -0.17 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2b9k n PHE 25 Cb 0.63 -1.94 0.00 0.00 0.35 0.00 0.00 39.48 38.51 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 -2.17 0.00 -3.67 -4.13 0.00 -1.25 -4.71 118.16 102.24 2b9k n LYS 26 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.26 2b9k n LYS 26 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.47 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 -4.78 -0.44 0.10 3.14 0.01 0.01 -5.02 113.70 106.72 2b9k s SER 27 Ca 0.00 0.55 -0.09 0.00 1.31 0.00 0.00 55.95 57.72 2b9k s SER 27 Cb 0.00 0.58 -0.00 0.00 0.21 0.00 0.00 66.02 66.81 2b9k s SER 27 CO 0.00 -0.43 0.21 -1.59 0.41 0.00 0.00 173.24 171.84 2b9k s LYS 28 N -0.85 0.90 0.16 12.44 -2.85 -1.26 -1.19 119.74 127.09 2b9k s LYS 28 Ca -0.09 -0.99 -0.16 0.00 -1.00 0.00 0.00 55.97 53.73 2b9k s LYS 28 Cb -0.03 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.12 2b9k s LYS 28 CO 0.05 -0.30 0.44 1.52 0.10 0.00 0.00 175.35 177.17 2b9k s TYR 29 N -3.88 -0.10 -0.23 1.78 1.13 -0.05 -4.98 117.35 111.03 2b9k s TYR 29 Ca 0.07 -0.23 -0.16 0.00 -1.41 0.00 0.00 57.07 55.34 2b9k s TYR 29 Cb 0.05 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 2b9k s TYR 29 CO -0.09 -0.80 0.43 -0.47 -2.51 0.00 0.00 175.55 172.10 2b9k s TYR 30 N -3.85 3.33 -1.12 -3.49 5.04 -1.26 -0.93 117.35 115.07 2b9k s TYR 30 Ca 0.07 0.59 -0.13 0.00 -2.44 0.00 0.00 57.07 55.17 2b9k s TYR 30 Cb 0.01 -2.58 0.20 0.00 0.35 0.00 0.00 41.96 39.94 2b9k s TYR 30 CO -0.07 -0.11 1.25 0.34 -1.34 0.00 0.00 175.55 175.62 2b9k s ASP 31 N 1.26 7.08 0.59 4.32 2.15 0.20 -4.89 116.67 127.39 2b9k s ASP 31 Ca 0.19 -3.05 0.29 0.00 0.43 0.00 0.00 52.55 50.41 2b9k s ASP 31 Cb -0.15 -2.33 1.56 0.00 -0.30 0.00 0.00 42.92 41.70 2b9k s ASP 31 CO 0.09 -0.63 1.99 0.28 -0.17 0.00 0.00 175.17 176.73 2b9k h SER 32 N 7.25 0.00 0.39 -0.34 0.02 -1.96 0.79 113.55 119.71 2b9k h SER 32 Ca 0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2b9k h SER 32 Cb 0.90 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2b9k h SER 32 CO 1.12 0.00 -0.00 0.28 -1.14 0.00 0.00 176.83 177.09 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.23 113.55 111.47 2b9k h SER 33 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2b9k h SER 33 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2b9k h SER 33 CO -0.00 0.00 -0.43 0.29 -1.14 0.00 0.00 176.83 175.55 2b9k n LYS 34 N -3.10 2.93 -2.79 3.45 4.76 -0.10 -5.06 118.16 118.25 2b9k n LYS 34 Ca -0.02 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.36 2b9k n LYS 34 Cb 0.16 -0.66 0.02 0.00 -1.84 0.00 0.00 35.03 32.72 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 1.31 0.55 3.27 0.72 0.00 0.08 -5.06 105.19 106.06 2b9k n GLY 35 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.09 0.71 0.47 1.61 -0.85 -1.23 -4.78 117.35 110.19 2b9k s TYR 36 Ca 0.16 -1.05 -0.19 0.00 -0.52 0.00 0.00 57.07 55.47 2b9k s TYR 36 Cb -0.07 -0.28 -0.09 0.00 0.38 0.00 0.00 41.96 41.90 2b9k s TYR 36 CO 0.19 -0.67 0.96 -1.58 -1.52 0.00 0.00 175.55 172.93 2b9k s TRP 37 N -4.04 3.38 0.04 -3.49 0.52 -0.40 -0.63 118.94 114.32 2b9k s TRP 37 Ca 0.25 1.52 0.01 0.00 0.02 0.00 0.00 56.10 57.90 2b9k s TRP 37 Cb 0.05 -2.81 -0.03 0.00 -1.15 0.00 0.00 33.47 29.54 2b9k s TRP 37 CO 0.04 -0.23 -0.06 0.08 0.02 0.00 0.00 176.95 176.81 2b9k s VAL 38 N -2.39 0.39 0.22 4.03 1.01 -0.11 -1.49 120.40 122.07 2b9k s VAL 38 Ca 0.60 -1.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 2b9k s VAL 38 Cb -0.09 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.69 2b9k s VAL 38 CO 0.22 -0.50 0.83 -0.83 0.00 0.00 0.00 175.10 174.83 2b9k s GLY 39 N -1.74 -0.14 -0.18 4.51 0.00 -0.50 -0.87 107.32 108.40 2b9k s GLY 39 Ca -0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.50 2b9k s GLY 39 CO -0.01 -0.03 -0.15 -0.42 0.00 0.00 0.00 173.10 172.49 2b9k s ILE 40 N -3.59 2.58 0.04 0.90 1.01 -0.33 -2.05 121.20 119.76 2b9k s ILE 40 Ca 0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 2b9k s ILE 40 Cb -0.04 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 2b9k s ILE 40 CO 0.05 0.50 0.09 -0.31 0.00 0.00 0.00 174.94 175.27 2b9k s TYR 41 N 1.16 0.23 -0.23 3.97 2.02 -0.61 -0.81 117.35 123.08 2b9k s TYR 41 Ca 0.01 -0.56 0.14 0.00 -0.37 0.00 0.00 57.07 56.29 2b9k s TYR 41 Cb -0.14 -0.16 0.46 0.00 -0.40 0.00 0.00 41.96 41.72 2b9k s TYR 41 CO -0.06 -0.37 1.17 -1.91 -1.57 0.00 0.00 175.55 172.81 2b9k n GLU 42 N 0.68 2.33 0.00 -0.62 2.13 -0.55 -0.18 120.64 124.43 2b9k n GLU 42 Ca -0.18 -3.59 0.00 0.00 0.66 0.00 0.00 57.16 54.05 2b9k n GLU 42 Cb 0.59 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.58 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 -0.63 0.00 -1.93 6.31 3.14 -1.19 -0.35 118.33 123.67 2b9k n VAL 43 Ca 0.26 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.24 2b9k n VAL 43 Cb 0.89 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.59 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 -1.56 2.67 -0.28 1.45 -0.00 -1.26 -4.94 118.94 115.03 2b9k s TRP 44 Ca 0.00 1.32 0.20 0.00 -0.00 0.00 0.00 56.10 57.62 2b9k s TRP 44 Cb 0.00 -3.82 0.49 0.00 -0.00 0.00 0.00 33.47 30.15 2b9k s TRP 44 CO 0.00 -2.52 1.09 -3.47 -0.00 0.00 0.00 176.95 172.05 2b9k n ASP 45 N 0.11 1.92 0.00 5.86 2.03 -1.26 -4.91 116.55 120.31 2b9k n ASP 45 Ca 0.03 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 53.00 2b9k n ASP 45 Cb 0.42 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.51 0.00 0.00 -0.67 0.63 -1.26 -5.15 116.66 109.70 2b9k n ARG 46 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2b9k n ARG 46 Cb 0.82 -1.98 0.00 0.00 0.45 0.00 0.00 32.46 31.75 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29