#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 2.06 0.29 0.00 -5.25 -1.26 -4.83 121.20 112.20 2b9k s ILE 2 Ca 0.00 0.02 0.11 0.00 -0.99 0.00 0.00 60.65 59.79 2b9k s ILE 2 Cb 0.00 -2.05 -0.05 0.00 2.95 0.00 0.00 42.46 43.31 2b9k s ILE 2 CO 0.00 -0.02 -0.17 -0.54 -1.79 0.00 0.00 174.94 172.42 2b9k s LYS 3 N -4.56 1.74 -0.11 0.37 1.02 0.72 -4.97 119.74 113.95 2b9k s LYS 3 Ca 0.67 -1.77 -0.00 0.00 0.02 0.00 0.00 55.97 54.90 2b9k s LYS 3 Cb -0.24 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2b9k s LYS 3 CO 0.61 0.31 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.73 2b9k s LEU 4 N -3.54 2.89 0.02 3.17 1.43 -1.26 -1.61 118.68 119.78 2b9k s LEU 4 Ca 0.30 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2b9k s LEU 4 Cb -0.04 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 2b9k s LEU 4 CO 0.16 0.22 -0.03 -0.69 0.23 0.00 0.00 176.35 176.23 2b9k s VAL 5 N 0.02 0.20 -0.24 -1.59 1.01 -0.77 -5.01 120.40 114.02 2b9k s VAL 5 Ca -0.03 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 2b9k s VAL 5 Cb -0.14 -0.28 0.08 0.00 0.00 0.00 0.00 36.38 36.04 2b9k s VAL 5 CO 0.04 -0.29 0.57 0.00 0.00 0.00 0.00 175.10 175.41 2b9k s GLN 6 N -0.99 0.55 0.04 2.72 -2.07 -1.26 -0.89 119.66 117.77 2b9k s GLN 6 Ca -0.09 1.10 -0.27 0.00 -1.82 0.00 0.00 55.36 54.28 2b9k s GLN 6 Cb -0.07 0.20 0.07 0.00 -1.09 0.00 0.00 33.01 32.13 2b9k s GLN 6 CO -0.00 -0.17 0.67 -1.12 -1.32 0.00 0.00 175.29 173.35 2b9k s SER 7 N 1.83 -0.59 0.43 12.60 0.01 -0.73 -4.92 113.70 122.33 2b9k s SER 7 Ca -0.09 0.33 0.21 0.00 1.31 0.00 0.00 55.95 57.71 2b9k s SER 7 Cb -0.08 0.55 0.98 0.00 0.21 0.00 0.00 66.02 67.68 2b9k s SER 7 CO -0.17 -0.76 1.88 1.55 0.41 0.00 0.00 173.24 176.15 2b9k h PRO 8 N 2.46 0.00 -0.06 12.44 0.13 -1.88 -1.80 132.00 143.29 2b9k h PRO 8 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 2b9k h PRO 8 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2b9k h PRO 8 CO 0.38 0.27 -0.53 -0.97 -0.23 0.00 0.00 178.00 176.92 2b9k h ASN 9 N 0.00 0.18 -3.33 1.44 -0.73 -1.93 -3.39 115.58 107.81 2b9k h ASN 9 Ca -0.00 -0.09 -0.37 0.00 1.87 0.00 0.00 56.30 57.70 2b9k h ASN 9 Cb 0.63 -0.05 0.02 0.00 0.27 0.00 0.00 38.32 39.18 2b9k h ASN 9 CO 0.04 0.68 -0.52 0.61 -0.37 0.00 0.00 177.43 177.87 2b9k n GLY 10 N 0.06 -0.41 3.54 1.57 0.00 -1.21 -4.86 105.19 103.89 2b9k n GLY 10 Ca -0.02 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 1.47 -4.67 1.61 5.15 -1.26 -4.92 115.26 110.80 2b9k n ASN 11 Ca -0.17 -0.55 -0.42 0.00 -0.60 0.00 0.00 54.58 52.84 2b9k n ASN 11 Cb 0.64 -1.37 -0.03 0.00 -0.53 0.00 0.00 39.78 38.50 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 11.06 2.39 -1.21 1.20 5.36 -1.26 -4.92 117.98 130.61 2b9k s PHE 12 Ca 1.08 0.46 0.12 0.00 -0.96 0.00 0.00 56.93 57.63 2b9k s PHE 12 Cb -0.46 -3.83 0.01 0.00 -0.34 0.00 0.00 43.02 38.41 2b9k s PHE 12 CO 0.30 -3.31 0.75 0.00 -1.46 0.00 0.00 175.22 171.50 2b9k n ALA 13 N 6.24 2.87 -0.25 11.12 0.00 -1.26 -5.04 120.51 134.20 2b9k n ALA 13 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2b9k n ALA 13 Cb 0.43 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.04 0.00 -3.53 0.00 0.00 -1.26 -4.67 120.51 111.01 2b9k n ALA 14 Ca 0.05 0.00 -0.09 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 19.70 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 -1.89 -0.43 0.37 0.00 1.04 -1.26 -0.93 113.70 110.60 2b9k s SER 15 Ca 0.00 -0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.17 2b9k s SER 15 Cb 0.00 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.70 2b9k s SER 15 CO 0.00 -0.88 0.75 0.12 0.98 0.00 0.00 173.24 174.21 2b9k s PHE 16 N -3.51 0.17 -0.04 5.02 5.36 -0.21 -4.95 117.98 119.82 2b9k s PHE 16 Ca 0.04 -0.78 0.01 0.00 -0.96 0.00 0.00 56.93 55.24 2b9k s PHE 16 Cb -0.02 0.74 0.02 0.00 -0.34 0.00 0.00 43.02 43.43 2b9k s PHE 16 CO -0.08 -1.49 -0.02 0.08 -1.46 0.00 0.00 175.22 172.25 2b9k s VAL 17 N -2.58 0.32 -0.14 3.12 1.01 -1.26 -0.83 120.40 120.04 2b9k s VAL 17 Ca 0.16 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 2b9k s VAL 17 Cb -0.05 -0.39 0.05 0.00 0.00 0.00 0.00 36.38 35.99 2b9k s VAL 17 CO 0.12 0.18 0.56 -0.22 0.00 0.00 0.00 175.10 175.74 2b9k s LEU 18 N 1.01 -0.16 -1.52 3.92 2.96 -0.48 -4.95 118.68 119.46 2b9k s LEU 18 Ca -0.10 0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 2b9k s LEU 18 Cb -0.14 2.01 0.05 0.00 0.50 0.00 0.00 46.19 48.61 2b9k s LEU 18 CO -0.01 -0.34 0.44 -0.67 -1.32 0.00 0.00 176.35 174.45 2b9k n ASP 19 N 2.08 -0.88 -1.74 3.68 2.03 -1.26 -1.43 116.55 119.02 2b9k n ASP 19 Ca -0.16 -1.06 -0.19 0.00 0.52 0.00 0.00 54.79 53.90 2b9k n ASP 19 Cb 0.56 -2.70 -0.06 0.00 -0.72 0.00 0.00 41.12 38.21 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 -1.92 1.02 3.06 0.27 0.00 -1.26 -4.96 105.19 101.40 2b9k n GLY 20 Ca -0.21 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.81 0.61 0.20 2.61 2.01 -0.52 -5.16 115.64 112.59 2b9k s THR 21 Ca 0.00 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 2b9k s THR 21 Cb 0.00 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 2b9k s THR 21 CO 0.00 -0.29 0.49 -0.75 -0.69 0.00 0.00 174.62 173.39 2b9k s LYS 22 N -1.39 3.74 -0.00 4.92 2.20 -1.26 -1.39 119.74 126.55 2b9k s LYS 22 Ca -0.07 0.15 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2b9k s LYS 22 Cb -0.09 -2.71 -0.00 0.00 -1.51 0.00 0.00 37.83 33.52 2b9k s LYS 22 CO 0.01 0.36 -0.06 -1.58 -0.36 0.00 0.00 175.35 173.72 2b9k s TRP 23 N -1.78 0.51 0.09 4.03 0.52 -0.01 -4.96 118.94 117.35 2b9k s TRP 23 Ca 0.45 -0.10 -0.19 0.00 0.02 0.00 0.00 56.10 56.28 2b9k s TRP 23 Cb -0.11 -0.33 0.04 0.00 -1.15 0.00 0.00 33.47 31.92 2b9k s TRP 23 CO 0.23 -0.01 0.47 -1.50 0.02 0.00 0.00 176.95 176.15 2b9k s ILE 24 N -0.14 0.05 0.82 2.03 2.07 0.64 -1.04 121.20 125.62 2b9k s ILE 24 Ca 0.02 -0.37 -0.13 0.00 -1.41 0.00 0.00 60.65 58.76 2b9k s ILE 24 Cb -0.02 -1.04 0.08 0.00 0.13 0.00 0.00 42.46 41.60 2b9k s ILE 24 CO -0.00 -0.21 1.09 0.33 -1.91 0.00 0.00 174.94 174.24 2b9k n PHE 25 N 0.12 0.89 0.06 3.50 7.35 -0.11 -1.52 117.46 127.75 2b9k n PHE 25 Ca -0.17 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2b9k n PHE 25 Cb 0.62 -2.06 0.00 0.00 0.35 0.00 0.00 39.48 38.39 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 -3.07 0.00 -3.73 -4.13 0.00 -1.24 -4.74 118.16 101.26 2b9k n LYS 26 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.30 2b9k n LYS 26 Cb 0.51 -0.04 -0.08 0.00 0.00 0.00 0.00 35.03 35.42 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 -4.63 -0.25 0.02 3.14 0.01 -0.21 -5.02 113.70 106.76 2b9k s SER 27 Ca 0.00 0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.36 2b9k s SER 27 Cb 0.00 0.34 -0.00 0.00 0.21 0.00 0.00 66.02 66.57 2b9k s SER 27 CO 0.00 -0.47 0.13 -1.59 0.41 0.00 0.00 173.24 171.72 2b9k s LYS 28 N -1.30 0.54 0.07 12.44 -2.85 -1.26 -1.26 119.74 126.12 2b9k s LYS 28 Ca -0.13 -0.54 -0.15 0.00 -1.00 0.00 0.00 55.97 54.14 2b9k s LYS 28 Cb -0.05 0.22 0.03 0.00 -2.06 0.00 0.00 37.83 35.97 2b9k s LYS 28 CO 0.05 -0.14 0.36 1.52 0.10 0.00 0.00 175.35 177.24 2b9k s TYR 29 N -1.92 -0.16 -0.27 1.78 1.13 0.05 -4.98 117.35 112.98 2b9k s TYR 29 Ca -0.11 -0.02 -0.17 0.00 -1.41 0.00 0.00 57.07 55.37 2b9k s TYR 29 Cb -0.05 0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 40.95 2b9k s TYR 29 CO -0.01 -0.59 0.45 -0.47 -2.51 0.00 0.00 175.55 172.42 2b9k s TYR 30 N -3.03 3.26 -0.97 -3.49 5.04 -1.26 -0.84 117.35 116.05 2b9k s TYR 30 Ca -0.02 0.53 -0.18 0.00 -2.44 0.00 0.00 57.07 54.97 2b9k s TYR 30 Cb 0.01 -2.65 0.14 0.00 0.35 0.00 0.00 41.96 39.80 2b9k s TYR 30 CO -0.06 -0.26 1.16 0.34 -1.34 0.00 0.00 175.55 175.39 2b9k s ASP 31 N 1.59 6.72 0.47 4.32 2.15 0.15 -4.88 116.67 127.19 2b9k s ASP 31 Ca 0.18 -2.26 0.26 0.00 0.43 0.00 0.00 52.55 51.16 2b9k s ASP 31 Cb -0.16 -2.39 1.41 0.00 -0.30 0.00 0.00 42.92 41.49 2b9k s ASP 31 CO 0.09 -0.98 1.77 0.28 -0.17 0.00 0.00 175.17 176.17 2b9k h SER 32 N 8.47 0.00 0.27 -0.34 0.02 -1.95 0.90 113.55 120.91 2b9k h SER 32 Ca 0.18 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2b9k h SER 32 Cb 1.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 2b9k h SER 32 CO 1.11 0.00 -0.11 0.28 -1.14 0.00 0.00 176.83 176.97 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.30 113.55 111.39 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 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2b9k h SER 33 CO 0.00 0.11 -0.11 0.29 -1.14 0.00 0.00 176.83 175.98 2b9k n LYS 34 N -3.81 3.28 -2.47 3.45 5.02 -0.56 -5.06 118.16 118.02 2b9k n LYS 34 Ca -0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.23 2b9k n LYS 34 Cb 0.22 -0.36 0.02 0.00 -0.02 0.00 0.00 35.03 34.89 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 0.64 0.43 3.34 0.72 0.00 0.20 -5.07 105.19 105.45 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 -3.07 0.30 0.39 1.61 1.13 -1.21 -4.84 117.35 111.66 2b9k s TYR 36 Ca 0.05 -0.67 -0.18 0.00 -1.41 0.00 0.00 57.07 54.85 2b9k s TYR 36 Cb -0.02 -0.00 -0.10 0.00 -1.10 0.00 0.00 41.96 40.73 2b9k s TYR 36 CO 0.15 -0.72 0.87 -1.58 -2.51 0.00 0.00 175.55 171.76 2b9k s TRP 37 N -3.94 3.34 0.05 -3.49 0.52 -0.68 -0.68 118.94 114.06 2b9k s TRP 37 Ca 0.14 1.45 0.01 0.00 0.02 0.00 0.00 56.10 57.72 2b9k s TRP 37 Cb 0.03 -2.73 -0.03 0.00 -1.15 0.00 0.00 33.47 29.59 2b9k s TRP 37 CO -0.02 -0.05 -0.05 0.08 0.02 0.00 0.00 176.95 176.94 2b9k s VAL 38 N -2.13 0.35 0.16 4.03 1.01 -0.02 -1.77 120.40 122.02 2b9k s VAL 38 Ca 0.59 -1.34 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2b9k s VAL 38 Cb -0.09 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.46 2b9k s VAL 38 CO 0.16 -0.65 1.00 -0.83 0.00 0.00 0.00 175.10 174.78 2b9k s GLY 39 N -2.10 -0.14 -0.19 4.51 0.00 -0.07 -0.77 107.32 108.56 2b9k s GLY 39 Ca -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 44.72 44.70 2b9k s GLY 39 CO -0.03 0.61 -0.15 -0.42 0.00 0.00 0.00 173.10 173.10 2b9k s ILE 40 N -2.92 2.41 -0.09 0.90 1.01 -0.39 -1.84 121.20 120.27 2b9k s ILE 40 Ca 0.15 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 2b9k s ILE 40 Cb -0.01 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.44 2b9k s ILE 40 CO 0.03 0.48 0.23 -0.47 0.00 0.00 0.00 174.94 175.22 2b9k s TYR 41 N 1.33 -0.29 -0.46 3.97 6.14 -0.63 -1.04 117.35 126.37 2b9k s TYR 41 Ca 0.05 0.69 0.03 0.00 0.64 0.00 0.00 57.07 58.48 2b9k s TYR 41 Cb -0.14 0.06 0.49 0.00 0.42 0.00 0.00 41.96 42.79 2b9k s TYR 41 CO -0.10 -0.18 1.66 -1.91 0.64 0.00 0.00 175.55 175.66 2b9k n GLU 42 N 3.61 2.76 0.00 4.97 2.13 -0.58 -0.20 120.64 133.33 2b9k n GLU 42 Ca -0.19 -3.51 0.00 0.00 0.66 0.00 0.00 57.16 54.12 2b9k n GLU 42 Cb 0.56 -2.18 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 -0.92 0.00 -1.90 6.31 3.14 -1.21 -0.26 118.33 123.48 2b9k n VAL 43 Ca 0.51 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.54 2b9k n VAL 43 Cb 0.93 -0.06 0.04 0.00 -1.06 0.00 0.00 33.84 33.70 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 -1.57 2.37 -0.10 1.45 -0.00 -1.26 -4.96 118.94 114.86 2b9k s TRP 44 Ca 0.00 1.53 0.23 0.00 -0.00 0.00 0.00 56.10 57.86 2b9k s TRP 44 Cb 0.00 -3.44 0.45 0.00 -0.00 0.00 0.00 33.47 30.47 2b9k s TRP 44 CO 0.00 -2.21 1.16 -3.47 -0.00 0.00 0.00 176.95 172.44 2b9k n ASP 45 N -1.84 1.38 0.00 5.86 2.03 -1.26 -4.90 116.55 117.83 2b9k n ASP 45 Ca 0.13 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.14 2b9k n ASP 45 Cb 0.50 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.01 0.00 0.00 -0.67 1.85 -1.26 -5.09 116.66 111.49 2b9k n ARG 46 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2b9k n ARG 46 Cb 1.01 -2.08 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 2b9k n ARG 46 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25