#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 2.02 0.25 0.00 -4.36 -1.26 -4.83 121.20 113.02 2b9k s ILE 2 Ca 0.00 0.01 0.11 0.00 -0.26 0.00 0.00 60.65 60.50 2b9k s ILE 2 Cb 0.00 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.56 2b9k s ILE 2 CO 0.00 -0.01 -0.19 -0.54 0.24 0.00 0.00 174.94 174.44 2b9k s LYS 3 N -4.54 1.55 -0.11 0.37 1.02 0.62 -4.98 119.74 113.67 2b9k s LYS 3 Ca 0.68 -1.68 -0.00 0.00 0.02 0.00 0.00 55.97 54.98 2b9k s LYS 3 Cb -0.24 -1.58 -0.02 0.00 -0.52 0.00 0.00 37.83 35.47 2b9k s LYS 3 CO 0.56 0.29 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.69 2b9k s LEU 4 N -3.35 3.00 0.02 3.17 1.43 -1.26 -1.61 118.68 120.07 2b9k s LEU 4 Ca 0.27 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2b9k s LEU 4 Cb -0.04 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 2b9k s LEU 4 CO 0.12 0.24 0.00 -0.69 0.23 0.00 0.00 176.35 176.26 2b9k s VAL 5 N -0.10 0.10 -0.20 -1.59 1.01 -1.00 -5.02 120.40 113.61 2b9k s VAL 5 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 2b9k s VAL 5 Cb -0.13 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.01 2b9k s VAL 5 CO 0.03 -0.47 0.51 0.00 0.00 0.00 0.00 175.10 175.17 2b9k s GLN 6 N -1.42 0.58 -0.17 2.72 0.00 -1.26 -0.90 119.66 119.20 2b9k s GLN 6 Ca -0.16 0.76 -0.30 0.00 -0.00 0.00 0.00 55.36 55.67 2b9k s GLN 6 Cb -0.09 0.24 0.13 0.00 0.00 0.00 0.00 33.01 33.29 2b9k s GLN 6 CO -0.00 -0.09 1.03 0.45 0.00 0.00 0.00 175.29 176.68 2b9k s SER 7 N 0.52 -0.33 0.58 12.60 0.15 -0.47 -4.97 113.70 121.77 2b9k s SER 7 Ca -0.02 0.35 0.28 0.00 0.70 0.00 0.00 55.95 57.26 2b9k s SER 7 Cb -0.04 0.28 1.52 0.00 -1.71 0.00 0.00 66.02 66.07 2b9k s SER 7 CO -0.03 -0.32 1.98 -0.65 1.20 0.00 0.00 173.24 175.43 2b9k h PRO 8 N 2.48 0.00 -0.74 5.44 0.11 -1.86 -1.52 132.00 135.91 2b9k h PRO 8 Ca -0.17 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.88 2b9k h PRO 8 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2b9k h PRO 8 CO 0.30 0.00 0.24 -0.91 -0.21 0.00 0.00 178.00 177.42 2b9k h ASN 9 N 0.00 1.07 -5.01 -2.05 2.35 -1.94 -3.42 115.58 106.58 2b9k h ASN 9 Ca 0.18 -0.19 -0.32 0.00 -0.55 0.00 0.00 56.30 55.42 2b9k h ASN 9 Cb 0.92 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.95 2b9k h ASN 9 CO -0.00 0.98 -0.46 0.61 -1.65 0.00 0.00 177.43 176.91 2b9k n GLY 10 N -0.79 -0.49 3.58 2.83 0.00 -1.13 -4.81 105.19 104.38 2b9k n GLY 10 Ca 0.06 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.50 5.03 -0.41 1.61 2.47 -1.26 -4.91 114.94 114.97 2b9k s ASN 11 Ca 0.27 1.50 -0.28 0.00 0.42 0.00 0.00 52.86 54.77 2b9k s ASN 11 Cb -0.14 -2.51 -0.01 0.00 -1.45 0.00 0.00 41.25 37.14 2b9k s ASN 11 CO 0.34 -2.35 1.63 0.12 -3.72 0.00 0.00 177.10 173.11 2b9k s PHE 12 N 9.94 2.05 -0.95 0.43 5.36 -1.26 -4.88 117.98 128.67 2b9k s PHE 12 Ca 0.98 0.64 0.24 0.00 -0.96 0.00 0.00 56.93 57.83 2b9k s PHE 12 Cb -0.26 -4.22 0.32 0.00 -0.34 0.00 0.00 43.02 38.53 2b9k s PHE 12 CO 0.31 -2.45 1.28 0.00 -1.46 0.00 0.00 175.22 172.91 2b9k n ALA 13 N 9.95 3.73 -0.09 11.12 0.00 -1.26 -5.00 120.51 138.95 2b9k n ALA 13 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2b9k n ALA 13 Cb 0.48 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.54 0.00 -3.57 0.00 0.00 -1.26 -4.69 120.51 109.45 2b9k n ALA 14 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 2b9k n ALA 14 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.50 -0.37 0.36 0.00 1.04 -1.26 -0.88 113.70 112.09 2b9k s SER 15 Ca 0.00 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 2b9k s SER 15 Cb 0.00 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2b9k s SER 15 CO 0.00 -0.83 0.72 0.12 0.98 0.00 0.00 173.24 174.22 2b9k s PHE 16 N -3.39 0.23 -0.05 5.02 5.36 -0.18 -4.95 117.98 120.02 2b9k s PHE 16 Ca 0.06 -0.79 -0.04 0.00 -0.96 0.00 0.00 56.93 55.20 2b9k s PHE 16 Cb -0.02 0.65 0.02 0.00 -0.34 0.00 0.00 43.02 43.33 2b9k s PHE 16 CO -0.06 -1.43 0.13 0.54 -1.46 0.00 0.00 175.22 172.94 2b9k s VAL 17 N -2.75 -0.02 -0.18 3.12 0.11 -1.26 -0.83 120.40 118.58 2b9k s VAL 17 Ca 0.17 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.19 2b9k s VAL 17 Cb -0.04 -0.20 0.06 0.00 -1.53 0.00 0.00 36.38 34.67 2b9k s VAL 17 CO 0.12 0.03 0.45 -0.22 -3.33 0.00 0.00 175.10 172.15 2b9k s LEU 18 N 0.52 -0.13 -1.54 2.54 2.96 -0.21 -4.95 118.68 117.87 2b9k s LEU 18 Ca -0.04 0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 54.79 2b9k s LEU 18 Cb -0.05 1.49 0.04 0.00 0.50 0.00 0.00 46.19 48.17 2b9k s LEU 18 CO -0.02 -0.19 0.34 -0.67 -1.32 0.00 0.00 176.35 174.48 2b9k n ASP 19 N 4.06 -0.43 -0.61 3.68 2.03 -1.26 -1.23 116.55 122.78 2b9k n ASP 19 Ca -0.22 -1.12 -0.08 0.00 0.52 0.00 0.00 54.79 53.89 2b9k n ASP 19 Cb 0.56 -2.38 -0.03 0.00 -0.72 0.00 0.00 41.12 38.54 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 -2.04 0.98 3.17 0.27 0.00 -1.26 -5.00 105.19 101.31 2b9k n GLY 20 Ca -0.23 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.22 1.57 0.32 2.61 2.01 -0.37 -5.14 115.64 114.42 2b9k s THR 21 Ca 0.00 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 2b9k s THR 21 Cb 0.00 -1.34 -0.06 0.00 0.01 0.00 0.00 72.50 71.11 2b9k s THR 21 CO 0.00 0.45 0.65 -0.75 -0.69 0.00 0.00 174.62 174.27 2b9k s LYS 22 N -0.06 3.76 -0.00 4.92 2.20 -1.26 -1.04 119.74 128.26 2b9k s LYS 22 Ca -0.03 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.89 2b9k s LYS 22 Cb -0.12 -2.53 -0.00 0.00 -1.51 0.00 0.00 37.83 33.67 2b9k s LYS 22 CO 0.02 0.14 -0.03 -1.58 -0.36 0.00 0.00 175.35 173.55 2b9k s TRP 23 N -2.11 0.25 0.09 4.03 0.52 -0.01 -4.96 118.94 116.74 2b9k s TRP 23 Ca 0.48 -0.07 -0.19 0.00 0.02 0.00 0.00 56.10 56.34 2b9k s TRP 23 Cb -0.11 -0.16 0.04 0.00 -1.15 0.00 0.00 33.47 32.10 2b9k s TRP 23 CO 0.27 -0.01 0.46 -1.50 0.02 0.00 0.00 176.95 176.19 2b9k s ILE 24 N -0.13 0.05 0.76 2.03 2.07 0.29 -1.01 121.20 125.25 2b9k s ILE 24 Ca 0.00 -0.38 -0.15 0.00 -1.41 0.00 0.00 60.65 58.71 2b9k s ILE 24 Cb -0.01 -1.04 0.03 0.00 0.13 0.00 0.00 42.46 41.56 2b9k s ILE 24 CO -0.00 -0.21 1.00 0.33 -1.91 0.00 0.00 174.94 174.14 2b9k n PHE 25 N 0.11 0.71 0.08 3.50 7.35 -0.06 -1.34 117.46 127.81 2b9k n PHE 25 Ca -0.17 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2b9k n PHE 25 Cb 0.62 -2.07 0.00 0.00 0.35 0.00 0.00 39.48 38.38 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 -2.22 0.00 -3.49 -4.13 0.00 -1.25 -4.72 118.16 102.35 2b9k n LYS 26 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.28 2b9k n LYS 26 Cb 0.50 -0.03 -0.05 0.00 0.00 0.00 0.00 35.03 35.45 2b9k n LYS 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2b9k s SER 27 N -5.04 -0.62 0.09 3.14 0.15 -0.16 -5.02 113.70 106.24 2b9k s SER 27 Ca 0.00 0.47 -0.07 0.00 0.70 0.00 0.00 55.95 57.05 2b9k s SER 27 Cb 0.00 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2b9k s SER 27 CO 0.00 -0.73 0.15 -1.59 1.20 0.00 0.00 173.24 172.27 2b9k s LYS 28 N -2.05 0.82 0.15 5.44 -2.85 -1.26 -1.21 119.74 118.78 2b9k s LYS 28 Ca -0.07 -1.05 -0.14 0.00 -1.00 0.00 0.00 55.97 53.70 2b9k s LYS 28 Cb -0.00 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 36.10 2b9k s LYS 28 CO 0.02 -0.25 0.40 1.52 0.10 0.00 0.00 175.35 177.14 2b9k s TYR 29 N -3.89 -0.03 -0.23 1.78 1.13 0.14 -4.97 117.35 111.28 2b9k s TYR 29 Ca 0.07 -0.32 -0.15 0.00 -1.41 0.00 0.00 57.07 55.27 2b9k s TYR 29 Cb 0.05 0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 2b9k s TYR 29 CO -0.09 -0.76 0.34 -0.47 -2.51 0.00 0.00 175.55 172.06 2b9k s TYR 30 N -3.86 3.32 -0.84 -3.49 5.04 -1.26 -0.85 117.35 115.41 2b9k s TYR 30 Ca 0.08 0.48 -0.16 0.00 -2.44 0.00 0.00 57.07 55.03 2b9k s TYR 30 Cb 0.02 -2.49 0.18 0.00 0.35 0.00 0.00 41.96 40.02 2b9k s TYR 30 CO -0.07 -0.06 0.87 0.34 -1.34 0.00 0.00 175.55 175.29 2b9k s ASP 31 N 1.23 6.67 0.36 4.32 2.15 0.28 -4.91 116.67 126.78 2b9k s ASP 31 Ca 0.16 -2.40 0.22 0.00 0.43 0.00 0.00 52.55 50.95 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 0.08 -0.76 1.63 0.28 -0.17 0.00 0.00 175.17 176.23 2b9k h SER 32 N 8.21 0.00 0.26 -0.34 0.02 -1.96 0.87 113.55 120.62 2b9k h SER 32 Ca 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2b9k h SER 32 Cb 1.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2b9k h SER 32 CO 0.89 0.00 -0.12 0.28 -1.14 0.00 0.00 176.83 176.74 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.94 -3.28 113.55 111.42 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 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2b9k h SER 33 CO 0.00 0.12 -0.04 0.29 -1.14 0.00 0.00 176.83 176.05 2b9k n LYS 34 N -3.84 3.47 -2.53 3.45 5.02 -0.71 -5.06 118.16 117.97 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 0.21 -0.29 0.02 0.00 -0.02 0.00 0.00 35.03 34.96 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 0.56 0.35 3.31 0.72 0.00 0.22 -5.07 105.19 105.29 2b9k n GLY 35 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 0.41 0.46 1.61 1.13 -1.19 -4.79 117.35 111.89 2b9k s TYR 36 Ca 0.06 -0.78 -0.16 0.00 -1.41 0.00 0.00 57.07 54.77 2b9k s TYR 36 Cb -0.03 -0.09 -0.08 0.00 -1.10 0.00 0.00 41.96 40.66 2b9k s TYR 36 CO 0.19 -0.69 0.93 -1.58 -2.51 0.00 0.00 175.55 171.89 2b9k s TRP 37 N -3.96 3.42 0.03 -3.49 0.52 -0.58 -0.56 118.94 114.31 2b9k s TRP 37 Ca 0.17 1.42 -0.00 0.00 0.02 0.00 0.00 56.10 57.70 2b9k s TRP 37 Cb 0.04 -2.73 -0.02 0.00 -1.15 0.00 0.00 33.47 29.60 2b9k s TRP 37 CO -0.01 -0.24 -0.03 0.08 0.02 0.00 0.00 176.95 176.77 2b9k s VAL 38 N -2.44 0.15 0.24 4.03 1.01 -0.03 -1.37 120.40 121.98 2b9k s VAL 38 Ca 0.58 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 2b9k s VAL 38 Cb -0.10 -0.46 0.05 0.00 0.00 0.00 0.00 36.38 35.88 2b9k s VAL 38 CO 0.26 -0.57 0.88 -0.83 0.00 0.00 0.00 175.10 174.84 2b9k s GLY 39 N -1.68 -0.02 -0.21 4.51 0.00 -0.08 -0.68 107.32 109.17 2b9k s GLY 39 Ca -0.12 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.37 2b9k s GLY 39 CO -0.02 0.34 -0.09 -0.42 0.00 0.00 0.00 173.10 172.91 2b9k s ILE 40 N -3.07 1.59 -0.03 0.90 1.01 -0.35 -2.38 121.20 118.88 2b9k s ILE 40 Ca 0.14 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 2b9k s ILE 40 Cb -0.03 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.72 2b9k s ILE 40 CO 0.06 0.10 0.07 -0.47 0.00 0.00 0.00 174.94 174.69 2b9k s TYR 41 N 1.41 -0.07 -0.35 3.97 6.14 -0.63 -0.99 117.35 126.82 2b9k s TYR 41 Ca -0.02 0.18 0.07 0.00 0.64 0.00 0.00 57.07 57.94 2b9k s TYR 41 Cb -0.17 0.01 0.55 0.00 0.42 0.00 0.00 41.96 42.78 2b9k s TYR 41 CO -0.08 -0.04 1.61 -1.91 0.64 0.00 0.00 175.55 175.77 2b9k n GLU 42 N 3.11 2.04 0.00 4.97 2.13 -0.45 -0.28 120.64 132.16 2b9k n GLU 42 Ca -0.13 -3.19 0.00 0.00 0.66 0.00 0.00 57.16 54.50 2b9k n GLU 42 Cb 0.59 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 -1.11 0.00 -1.64 6.31 3.14 -1.19 -0.55 118.33 123.29 2b9k n VAL 43 Ca 0.43 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.47 2b9k n VAL 43 Cb 1.20 -0.09 0.07 0.00 -1.06 0.00 0.00 33.84 33.95 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 -1.60 2.33 -0.05 1.45 -0.00 -1.26 -4.97 118.94 114.85 2b9k s TRP 44 Ca 0.00 1.57 0.14 0.00 -0.00 0.00 0.00 56.10 57.82 2b9k s TRP 44 Cb 0.00 -3.34 0.26 0.00 -0.00 0.00 0.00 33.47 30.40 2b9k s TRP 44 CO 0.00 -2.15 1.13 -3.47 -0.00 0.00 0.00 176.95 172.45 2b9k n ASP 45 N -2.46 0.07 0.00 5.86 2.03 -1.26 -4.86 116.55 115.92 2b9k n ASP 45 Ca 0.12 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.41 2b9k n ASP 45 Cb 0.51 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.05 0.00 0.00 -0.67 0.63 -1.26 -5.14 116.66 110.27 2b9k n ARG 46 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 2b9k n ARG 46 Cb 0.92 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.74 2b9k n ARG 46 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75