#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 0.21 0.00 -4.36 -1.26 -4.81 121.20 113.02 2b9k s ILE 2 Ca 0.00 0.02 0.06 0.00 -0.26 0.00 0.00 60.65 60.47 2b9k s ILE 2 Cb 0.00 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 2b9k s ILE 2 CO 0.00 -0.02 -0.10 -0.54 0.24 0.00 0.00 174.94 174.52 2b9k s LYS 3 N -4.58 1.30 -0.15 0.37 1.02 0.87 -4.97 119.74 113.61 2b9k s LYS 3 Ca 0.67 -1.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 2b9k s LYS 3 Cb -0.24 -0.95 -0.03 0.00 -0.52 0.00 0.00 37.83 36.10 2b9k s LYS 3 CO 0.60 0.10 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.60 2b9k s LEU 4 N -3.30 3.34 0.00 3.17 1.43 -1.26 -1.89 118.68 120.17 2b9k s LEU 4 Ca 0.23 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2b9k s LEU 4 Cb 0.02 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 2b9k s LEU 4 CO 0.06 0.19 -0.00 -0.69 0.23 0.00 0.00 176.35 176.14 2b9k s VAL 5 N 0.24 0.03 -0.21 -1.59 1.01 -0.93 -5.02 120.40 113.93 2b9k s VAL 5 Ca -0.02 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 2b9k s VAL 5 Cb -0.14 -0.09 0.06 0.00 0.00 0.00 0.00 36.38 36.21 2b9k s VAL 5 CO 0.03 -0.14 0.59 0.00 0.00 0.00 0.00 175.10 175.57 2b9k s GLN 6 N -0.42 0.72 -0.13 2.72 0.00 -1.26 -0.87 119.66 120.42 2b9k s GLN 6 Ca -0.05 0.76 -0.30 0.00 -0.00 0.00 0.00 55.36 55.78 2b9k s GLN 6 Cb -0.03 0.35 0.12 0.00 0.00 0.00 0.00 33.01 33.45 2b9k s GLN 6 CO -0.00 -0.10 1.01 -1.12 0.00 0.00 0.00 175.29 175.07 2b9k s SER 7 N 0.18 -0.33 0.39 12.60 0.01 -0.54 -4.78 113.70 121.23 2b9k s SER 7 Ca -0.01 0.24 0.18 0.00 1.31 0.00 0.00 55.95 57.66 2b9k s SER 7 Cb -0.04 0.30 0.80 0.00 0.21 0.00 0.00 66.02 67.29 2b9k s SER 7 CO 0.01 -0.39 1.81 1.55 0.41 0.00 0.00 173.24 176.63 2b9k h PRO 8 N 2.33 0.00 -0.02 12.44 0.13 -1.88 -1.45 132.00 143.55 2b9k h PRO 8 Ca -0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.85 2b9k h PRO 8 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2b9k h PRO 8 CO 0.30 0.35 -0.46 -0.97 -0.23 0.00 0.00 178.00 176.99 2b9k h ASN 9 N 0.00 0.04 -5.54 1.44 -0.73 -1.94 -3.40 115.58 105.45 2b9k h ASN 9 Ca -0.00 -0.02 -0.34 0.00 1.87 0.00 0.00 56.30 57.81 2b9k h ASN 9 Cb 0.74 -0.01 0.15 0.00 0.27 0.00 0.00 38.32 39.47 2b9k h ASN 9 CO 0.05 0.50 -0.71 0.61 -0.37 0.00 0.00 177.43 177.50 2b9k n GLY 10 N -0.19 -0.38 3.04 1.57 0.00 -1.23 -4.88 105.19 103.13 2b9k n GLY 10 Ca -0.02 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.97 2.97 -4.69 1.61 5.15 -1.26 -4.94 115.26 111.13 2b9k n ASN 11 Ca -0.19 -2.73 -0.51 0.00 -0.60 0.00 0.00 54.58 50.55 2b9k n ASN 11 Cb 0.63 -1.31 -0.05 0.00 -0.53 0.00 0.00 39.78 38.52 2b9k n ASN 11 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2b9k n PHE 12 N 7.50 2.21 0.78 1.20 7.35 -1.26 -4.89 117.46 130.34 2b9k n PHE 12 Ca 0.50 0.21 0.08 0.00 -0.76 0.00 0.00 57.45 57.48 2b9k n PHE 12 Cb 0.41 -2.58 -0.08 0.00 0.35 0.00 0.00 39.48 37.58 2b9k n PHE 12 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b9k n ALA 13 N 5.84 4.00 0.00 3.13 0.00 -1.26 -5.02 120.51 127.20 2b9k n ALA 13 Ca 0.23 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2b9k n ALA 13 Cb 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.17 0.00 -3.58 0.00 0.00 -1.26 -4.70 120.51 109.80 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 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.35 0.32 0.00 1.04 -1.26 -0.89 113.70 112.57 2b9k s SER 15 Ca 0.00 -0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 2b9k s SER 15 Cb 0.00 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2b9k s SER 15 CO 0.00 -0.80 0.70 0.12 0.98 0.00 0.00 173.24 174.24 2b9k s PHE 16 N -3.33 0.08 -0.02 5.02 5.36 -0.19 -4.95 117.98 119.96 2b9k s PHE 16 Ca 0.06 -0.60 0.01 0.00 -0.96 0.00 0.00 56.93 55.44 2b9k s PHE 16 Cb -0.01 0.65 0.02 0.00 -0.34 0.00 0.00 43.02 43.33 2b9k s PHE 16 CO -0.06 -1.34 -0.02 0.08 -1.46 0.00 0.00 175.22 172.43 2b9k s VAL 17 N -3.24 0.24 -0.10 3.12 1.01 -1.26 -0.79 120.40 119.38 2b9k s VAL 17 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 2b9k s VAL 17 Cb -0.05 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.10 2b9k s VAL 17 CO 0.10 0.13 0.20 -0.22 0.00 0.00 0.00 175.10 175.30 2b9k s LEU 18 N 0.59 -0.06 -1.62 3.92 0.20 -0.22 -4.88 118.68 116.61 2b9k s LEU 18 Ca -0.06 0.43 -0.14 0.00 0.69 0.00 0.00 54.13 55.04 2b9k s LEU 18 Cb -0.09 0.44 0.12 0.00 -0.43 0.00 0.00 46.19 46.23 2b9k s LEU 18 CO -0.01 -0.23 0.74 -0.67 -0.29 0.00 0.00 176.35 175.89 2b9k n ASP 19 N 5.19 -2.90 0.00 3.68 2.03 -1.26 -1.26 116.55 122.03 2b9k n ASP 19 Ca -0.08 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.25 2b9k n ASP 19 Cb 0.50 -2.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.94 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 -1.56 0.84 3.83 0.27 0.00 -1.26 -5.01 105.19 102.30 2b9k n GLY 20 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.49 5.30 0.28 2.61 2.01 -0.39 -5.10 115.64 116.87 2b9k s THR 21 Ca 0.00 0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.38 2b9k s THR 21 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 72.50 68.88 2b9k s THR 21 CO 0.00 0.56 0.64 -0.75 -0.69 0.00 0.00 174.62 174.37 2b9k s LYS 22 N -0.72 3.86 -0.00 4.92 2.20 -1.26 -1.05 119.74 127.68 2b9k s LYS 22 Ca 0.18 0.41 0.01 0.00 -0.36 0.00 0.00 55.97 56.21 2b9k s LYS 22 Cb -0.14 -2.55 -0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2b9k s LYS 22 CO 0.07 0.22 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.66 2b9k s TRP 23 N -1.95 0.32 0.11 4.03 0.52 0.03 -4.96 118.94 117.03 2b9k s TRP 23 Ca 0.50 -0.07 -0.19 0.00 0.02 0.00 0.00 56.10 56.36 2b9k s TRP 23 Cb -0.11 -0.21 0.04 0.00 -1.15 0.00 0.00 33.47 32.05 2b9k s TRP 23 CO 0.21 -0.01 0.46 -1.50 0.02 0.00 0.00 176.95 176.13 2b9k s ILE 24 N -0.13 0.05 0.84 2.03 2.07 0.67 -1.02 121.20 125.72 2b9k s ILE 24 Ca 0.01 -0.41 -0.13 0.00 -1.41 0.00 0.00 60.65 58.71 2b9k s ILE 24 Cb -0.02 -1.08 0.08 0.00 0.13 0.00 0.00 42.46 41.57 2b9k s ILE 24 CO -0.00 -0.22 1.01 0.33 -1.91 0.00 0.00 174.94 174.14 2b9k n PHE 25 N -0.03 0.59 0.13 3.50 7.35 -0.07 -1.55 117.46 127.38 2b9k n PHE 25 Ca -0.17 0.38 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 -2.97 0.00 -3.73 -4.13 0.00 -1.24 -4.72 118.16 101.37 2b9k n LYS 26 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.29 2b9k n LYS 26 Cb 0.51 -0.03 -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 -4.94 -0.25 0.05 3.14 0.01 -0.18 -5.01 113.70 106.53 2b9k s SER 27 Ca 0.00 0.17 -0.06 0.00 1.31 0.00 0.00 55.95 57.37 2b9k s SER 27 Cb 0.00 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.57 2b9k s SER 27 CO 0.00 -0.46 0.12 -1.59 0.41 0.00 0.00 173.24 171.72 2b9k s LYS 28 N -1.28 0.67 0.14 12.44 -2.85 -1.26 -1.48 119.74 126.12 2b9k s LYS 28 Ca -0.13 -0.84 -0.18 0.00 -1.00 0.00 0.00 55.97 53.82 2b9k s LYS 28 Cb -0.05 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.03 2b9k s LYS 28 CO 0.05 -0.18 0.47 1.52 0.10 0.00 0.00 175.35 177.31 2b9k s TYR 29 N -3.07 -0.28 -0.27 1.78 1.13 -0.08 -4.97 117.35 111.60 2b9k s TYR 29 Ca -0.01 -0.02 -0.16 0.00 -1.41 0.00 0.00 57.07 55.47 2b9k s TYR 29 Cb 0.01 0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 41.20 2b9k s TYR 29 CO -0.07 -0.77 0.42 -0.47 -2.51 0.00 0.00 175.55 172.15 2b9k s TYR 30 N -3.80 3.25 -1.16 -3.49 5.04 -1.26 -0.91 117.35 115.02 2b9k s TYR 30 Ca 0.03 0.49 -0.14 0.00 -2.44 0.00 0.00 57.07 55.01 2b9k s TYR 30 Cb 0.01 -2.62 0.17 0.00 0.35 0.00 0.00 41.96 39.86 2b9k s TYR 30 CO -0.11 -0.24 1.37 0.34 -1.34 0.00 0.00 175.55 175.57 2b9k s ASP 31 N 1.60 7.01 0.57 4.32 2.15 0.08 -4.88 116.67 127.53 2b9k s ASP 31 Ca 0.17 -2.87 0.28 0.00 0.43 0.00 0.00 52.55 50.57 2b9k s ASP 31 Cb -0.16 -2.39 1.49 0.00 -0.30 0.00 0.00 42.92 41.56 2b9k s ASP 31 CO 0.10 -0.78 1.94 0.28 -0.17 0.00 0.00 175.17 176.54 2b9k h SER 32 N 7.40 0.00 0.42 -0.34 0.02 -1.95 0.13 113.55 119.23 2b9k h SER 32 Ca 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 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 1.21 0.00 -0.00 0.28 -1.14 0.00 0.00 176.83 177.18 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 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 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 0.00 -0.18 0.29 -1.14 0.00 0.00 176.83 175.80 2b9k n LYS 34 N -3.09 4.12 -2.71 3.45 5.02 -0.14 -5.06 118.16 119.76 2b9k n LYS 34 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 2b9k n LYS 34 Cb 0.17 -0.48 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 0.96 0.50 3.33 0.72 0.00 0.28 -5.06 105.19 105.92 2b9k n GLY 35 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 0.34 0.45 1.61 1.13 -1.23 -4.82 117.35 111.74 2b9k s TYR 36 Ca 0.12 -0.71 -0.21 0.00 -1.41 0.00 0.00 57.07 54.86 2b9k s TYR 36 Cb -0.05 -0.04 -0.10 0.00 -1.10 0.00 0.00 41.96 40.66 2b9k s TYR 36 CO 0.19 -0.70 0.98 -1.58 -2.51 0.00 0.00 175.55 171.92 2b9k s TRP 37 N -3.95 3.22 0.04 -3.49 0.52 -0.55 -0.74 118.94 113.99 2b9k s TRP 37 Ca 0.15 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.87 2b9k s TRP 37 Cb 0.03 -2.91 -0.03 0.00 -1.15 0.00 0.00 33.47 29.41 2b9k s TRP 37 CO -0.02 -0.32 -0.04 0.08 0.02 0.00 0.00 176.95 176.68 2b9k s VAL 38 N -2.13 0.24 0.14 4.03 1.01 -0.09 -1.46 120.40 122.14 2b9k s VAL 38 Ca 0.63 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 2b9k s VAL 38 Cb -0.11 -0.79 0.07 0.00 0.00 0.00 0.00 36.38 35.54 2b9k s VAL 38 CO 0.15 -0.66 0.74 -0.83 0.00 0.00 0.00 175.10 174.50 2b9k s GLY 39 N -2.04 -0.44 -0.28 4.51 0.00 -0.05 -0.90 107.32 108.12 2b9k s GLY 39 Ca -0.06 0.45 -0.11 0.00 0.00 0.00 0.00 44.72 45.00 2b9k s GLY 39 CO -0.04 0.14 0.18 -0.42 0.00 0.00 0.00 173.10 172.96 2b9k s ILE 40 N -3.56 5.13 -0.05 0.90 -1.09 -0.55 -2.19 121.20 119.79 2b9k s ILE 40 Ca 0.05 0.05 -0.04 0.00 -2.23 0.00 0.00 60.65 58.48 2b9k s ILE 40 Cb -0.02 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 2b9k s ILE 40 CO -0.07 0.23 0.12 -0.47 -1.23 0.00 0.00 174.94 173.52 2b9k s TYR 41 N 1.73 -0.13 -0.38 3.97 6.14 -0.79 -1.01 117.35 126.88 2b9k s TYR 41 Ca 0.07 0.33 0.06 0.00 0.64 0.00 0.00 57.07 58.16 2b9k s TYR 41 Cb -0.16 0.02 0.49 0.00 0.42 0.00 0.00 41.96 42.73 2b9k s TYR 41 CO 0.10 -0.08 1.54 -1.91 0.64 0.00 0.00 175.55 175.84 2b9k n GLU 42 N 3.19 2.52 0.15 4.97 2.13 -0.59 -0.09 120.64 132.91 2b9k n GLU 42 Ca -0.14 -3.47 0.00 0.00 0.66 0.00 0.00 57.16 54.20 2b9k n GLU 42 Cb 0.58 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.23 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 -1.46 6.31 3.14 -1.19 -0.24 118.33 123.93 2b9k n VAL 43 Ca 0.44 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.47 2b9k n VAL 43 Cb 0.98 -0.19 0.10 0.00 -1.06 0.00 0.00 33.84 33.67 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 -2.00 1.95 -0.04 1.45 -0.00 -1.26 -4.96 118.94 114.09 2b9k s TRP 44 Ca 0.00 1.57 0.22 0.00 -0.00 0.00 0.00 56.10 57.89 2b9k s TRP 44 Cb 0.00 -3.60 0.40 0.00 -0.00 0.00 0.00 33.47 30.27 2b9k s TRP 44 CO 0.00 -2.89 1.17 -3.47 -0.00 0.00 0.00 176.95 171.76 2b9k n ASP 45 N -2.55 1.08 0.00 5.86 2.03 -1.26 -4.93 116.55 116.78 2b9k n ASP 45 Ca 0.15 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 53.12 2b9k n ASP 45 Cb 0.49 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2b9k n ASP 45 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2b9k n ARG 46 N 0.17 0.00 0.00 -0.67 1.85 -1.26 -5.06 116.66 111.69 2b9k n ARG 46 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 2b9k n ARG 46 Cb 1.04 -3.35 0.00 0.00 -1.05 0.00 0.00 32.46 29.10 2b9k n ARG 46 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25