#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 0.12 0.00 -5.25 -1.26 -4.79 121.20 112.03 2b9k s ILE 2 Ca 0.00 0.01 0.01 0.00 -0.99 0.00 0.00 60.65 59.67 2b9k s ILE 2 Cb 0.00 -2.02 -0.04 0.00 2.95 0.00 0.00 42.46 43.35 2b9k s ILE 2 CO 0.00 -0.01 -0.01 -0.54 -1.79 0.00 0.00 174.94 172.59 2b9k s LYS 3 N -4.54 0.88 -0.04 0.37 1.02 0.53 -4.97 119.74 112.99 2b9k s LYS 3 Ca 0.68 -1.39 0.07 0.00 0.02 0.00 0.00 55.97 55.34 2b9k s LYS 3 Cb -0.24 -0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 2b9k s LYS 3 CO 0.61 -0.12 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.17 2b9k s LEU 4 N -3.05 2.05 0.02 3.17 1.43 -1.26 -1.24 118.68 119.78 2b9k s LEU 4 Ca 0.17 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2b9k s LEU 4 Cb 0.07 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 2b9k s LEU 4 CO -0.02 0.26 -0.01 -0.69 0.23 0.00 0.00 176.35 176.12 2b9k s VAL 5 N -0.32 0.09 -0.05 -1.59 1.01 -1.01 -5.02 120.40 113.52 2b9k s VAL 5 Ca 0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2b9k s VAL 5 Cb -0.12 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 36.06 2b9k s VAL 5 CO 0.02 -0.42 0.10 -1.10 0.00 0.00 0.00 175.10 173.70 2b9k s GLN 6 N -1.24 0.01 -0.18 2.72 -0.21 -1.26 -1.62 119.66 117.88 2b9k s GLN 6 Ca -0.14 0.37 -0.28 0.00 0.02 0.00 0.00 55.36 55.33 2b9k s GLN 6 Cb -0.08 -0.28 0.09 0.00 1.00 0.00 0.00 33.01 33.74 2b9k s GLN 6 CO -0.01 -0.23 0.83 0.45 -2.12 0.00 0.00 175.29 174.21 2b9k s SER 7 N 1.59 -0.58 0.57 5.90 0.15 -0.55 -5.01 113.70 115.76 2b9k s SER 7 Ca -0.04 0.88 0.35 0.00 0.70 0.00 0.00 55.95 57.84 2b9k s SER 7 Cb -0.12 0.80 1.58 0.00 -1.71 0.00 0.00 66.02 66.57 2b9k s SER 7 CO -0.05 -0.37 2.07 1.55 1.20 0.00 0.00 173.24 177.65 2b9k h PRO 8 N 3.68 0.00 -0.13 5.44 0.13 -1.86 -1.27 132.00 137.98 2b9k h PRO 8 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 2b9k h PRO 8 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2b9k h PRO 8 CO 0.23 0.03 -0.54 -0.97 -0.23 0.00 0.00 178.00 176.52 2b9k h ASN 9 N 0.00 0.42 -2.19 1.44 -0.73 -1.95 -3.42 115.58 109.14 2b9k h ASN 9 Ca -0.00 -0.22 -0.36 0.00 1.87 0.00 0.00 56.30 57.59 2b9k h ASN 9 Cb 0.40 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.83 2b9k h ASN 9 CO 0.00 0.88 -0.43 0.61 -0.37 0.00 0.00 177.43 178.12 2b9k n GLY 10 N 0.17 0.06 3.47 1.57 0.00 -1.19 -4.88 105.19 104.39 2b9k n GLY 10 Ca -0.02 -0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.29 2.20 -4.60 1.61 5.15 -1.26 -4.93 115.26 112.15 2b9k n ASN 11 Ca -0.20 0.31 -0.43 0.00 -0.60 0.00 0.00 54.58 53.65 2b9k n ASN 11 Cb 0.64 -1.31 -0.02 0.00 -0.53 0.00 0.00 39.78 38.56 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 7.89 2.25 -2.33 1.20 5.36 -1.26 -4.90 117.98 126.18 2b9k s PHE 12 Ca 1.09 0.64 0.25 0.00 -0.96 0.00 0.00 56.93 57.96 2b9k s PHE 12 Cb -0.76 -4.28 0.54 0.00 -0.34 0.00 0.00 43.02 38.18 2b9k s PHE 12 CO 0.46 -2.18 1.44 0.00 -1.46 0.00 0.00 175.22 173.48 2b9k n ALA 13 N 9.31 2.89 -0.02 11.12 0.00 -1.26 -5.00 120.51 137.55 2b9k n ALA 13 Ca 0.17 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2b9k n ALA 13 Cb 0.48 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 0.20 0.00 -3.52 0.00 0.00 -1.26 -4.71 120.51 111.23 2b9k n ALA 14 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 2b9k n ALA 14 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.18 -0.33 0.35 0.00 1.04 -1.26 -1.07 113.70 112.24 2b9k s SER 15 Ca 0.00 0.00 -0.17 0.00 0.48 0.00 0.00 55.95 56.27 2b9k s SER 15 Cb 0.00 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.51 2b9k s SER 15 CO 0.00 -0.57 0.75 0.12 0.98 0.00 0.00 173.24 174.52 2b9k s PHE 16 N -3.01 0.07 -0.01 5.02 5.36 -0.68 -4.93 117.98 119.79 2b9k s PHE 16 Ca 0.05 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.36 2b9k s PHE 16 Cb -0.01 0.75 0.02 0.00 -0.34 0.00 0.00 43.02 43.44 2b9k s PHE 16 CO -0.08 -1.45 0.01 0.08 -1.46 0.00 0.00 175.22 172.32 2b9k s VAL 17 N -2.84 0.04 -0.14 3.12 1.01 -1.26 -0.91 120.40 119.42 2b9k s VAL 17 Ca 0.15 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2b9k s VAL 17 Cb -0.05 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.28 2b9k s VAL 17 CO 0.10 0.07 0.32 -0.22 0.00 0.00 0.00 175.10 175.38 2b9k s LEU 18 N 0.63 -0.15 -1.72 3.92 1.98 -0.39 -4.89 118.68 118.07 2b9k s LEU 18 Ca -0.06 0.71 -0.17 0.00 -2.89 0.00 0.00 54.13 51.72 2b9k s LEU 18 Cb -0.08 0.96 0.16 0.00 0.66 0.00 0.00 46.19 47.88 2b9k s LEU 18 CO -0.02 -0.21 0.66 -0.67 -1.89 0.00 0.00 176.35 174.22 2b9k n ASP 19 N 4.86 -2.42 0.00 3.68 2.03 -1.26 -1.18 116.55 122.27 2b9k n ASP 19 Ca -0.15 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.07 2b9k n ASP 19 Cb 0.52 -2.42 0.00 0.00 -0.72 0.00 0.00 41.12 38.50 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 -1.44 2.39 3.81 0.27 0.00 -1.26 -5.01 105.19 103.95 2b9k n GLY 20 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.10 4.45 -0.01 2.61 2.01 -0.32 -5.08 115.64 116.20 2b9k s THR 21 Ca 0.00 1.42 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 2b9k s THR 21 Cb 0.00 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2b9k s THR 21 CO 0.00 0.03 0.09 -0.75 -0.69 0.00 0.00 174.62 173.30 2b9k s LYS 22 N -2.37 3.09 0.02 4.92 2.36 -1.26 -1.26 119.74 125.23 2b9k s LYS 22 Ca 0.50 -0.47 0.02 0.00 -2.55 0.00 0.00 55.97 53.46 2b9k s LYS 22 Cb -0.15 -2.87 -0.01 0.00 -1.05 0.00 0.00 37.83 33.74 2b9k s LYS 22 CO 0.20 0.65 -0.06 -1.58 1.55 0.00 0.00 175.35 176.11 2b9k s TRP 23 N -1.20 0.52 0.15 4.03 0.52 -0.09 -4.98 118.94 117.89 2b9k s TRP 23 Ca 0.23 -0.27 -0.23 0.00 0.02 0.00 0.00 56.10 55.85 2b9k s TRP 23 Cb -0.12 -0.33 0.07 0.00 -1.15 0.00 0.00 33.47 31.95 2b9k s TRP 23 CO 0.14 -0.05 0.61 -1.50 0.02 0.00 0.00 176.95 176.18 2b9k s ILE 24 N -0.68 0.00 0.85 2.03 2.07 0.19 -1.69 121.20 123.97 2b9k s ILE 24 Ca -0.04 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.08 2b9k s ILE 24 Cb -0.06 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.62 2b9k s ILE 24 CO 0.00 0.00 1.01 0.33 -1.91 0.00 0.00 174.94 174.37 2b9k n PHE 25 N -0.35 0.58 0.11 3.50 7.35 -0.23 -1.40 117.46 127.02 2b9k n PHE 25 Ca -0.17 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2b9k n PHE 25 Cb 0.65 -2.01 0.00 0.00 0.35 0.00 0.00 39.48 38.46 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 -3.10 0.00 -3.73 -4.13 0.00 -1.25 -4.68 118.16 101.27 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 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.45 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 -4.43 -0.34 -0.13 3.14 0.01 -0.13 -5.02 113.70 106.79 2b9k s SER 27 Ca 0.00 0.51 -0.14 0.00 1.31 0.00 0.00 55.95 57.63 2b9k s SER 27 Cb 0.00 0.60 0.04 0.00 0.21 0.00 0.00 66.02 66.87 2b9k s SER 27 CO 0.00 -0.29 0.39 -0.75 0.41 0.00 0.00 173.24 173.00 2b9k s LYS 28 N -0.50 0.50 0.12 12.44 2.20 -1.26 -1.11 119.74 132.14 2b9k s LYS 28 Ca -0.06 0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 55.88 2b9k s LYS 28 Cb -0.04 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 2b9k s LYS 28 CO 0.03 -0.08 0.29 1.52 -0.36 0.00 0.00 175.35 176.75 2b9k s TYR 29 N -0.02 0.07 -0.22 4.03 1.13 -0.07 -4.99 117.35 117.29 2b9k s TYR 29 Ca -0.02 -0.45 -0.17 0.00 -1.41 0.00 0.00 57.07 55.02 2b9k s TYR 29 Cb -0.03 0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.87 2b9k s TYR 29 CO 0.01 -0.65 0.47 -0.47 -2.51 0.00 0.00 175.55 172.40 2b9k s TYR 30 N -3.86 3.34 -1.19 -3.49 5.04 -1.26 -0.83 117.35 115.09 2b9k s TYR 30 Ca 0.07 0.68 -0.11 0.00 -2.44 0.00 0.00 57.07 55.26 2b9k s TYR 30 Cb 0.03 -2.63 0.20 0.00 0.35 0.00 0.00 41.96 39.92 2b9k s TYR 30 CO -0.09 -0.11 1.43 -3.47 -1.34 0.00 0.00 175.55 171.97 2b9k n ASP 31 N 4.86 5.35 -0.04 4.32 2.03 -0.10 -4.88 116.55 128.10 2b9k n ASP 31 Ca -0.06 -3.04 0.23 0.00 0.52 0.00 0.00 54.79 52.45 2b9k n ASP 31 Cb 0.50 -1.50 0.72 0.00 -0.72 0.00 0.00 41.12 40.13 2b9k n ASP 31 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2b9k h SER 32 N 6.72 0.00 0.31 1.67 0.02 -1.95 0.99 113.55 121.31 2b9k h SER 32 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2b9k h SER 32 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2b9k h SER 32 CO 1.25 0.00 -0.03 0.28 -1.14 0.00 0.00 176.83 177.19 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.23 113.55 111.46 2b9k h SER 33 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2b9k h SER 33 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2b9k h SER 33 CO -0.00 0.03 -0.43 0.29 -1.14 0.00 0.00 176.83 175.58 2b9k n LYS 34 N -3.29 3.09 -2.40 3.45 4.76 0.03 -5.06 118.16 118.73 2b9k n LYS 34 Ca -0.02 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2b9k n LYS 34 Cb 0.16 -0.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 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 1.39 0.82 3.31 0.72 0.00 0.13 -5.07 105.19 106.48 2b9k n GLY 35 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.79 0.24 0.55 1.61 -0.85 -1.24 -4.78 117.35 110.08 2b9k s TYR 36 Ca 0.00 -0.62 -0.17 0.00 -0.52 0.00 0.00 57.07 55.77 2b9k s TYR 36 Cb -0.00 -0.00 -0.06 0.00 0.38 0.00 0.00 41.96 42.28 2b9k s TYR 36 CO 0.01 -0.68 1.03 -1.58 -1.52 0.00 0.00 175.55 172.81 2b9k s TRP 37 N -3.91 3.13 0.03 -3.49 0.52 -0.49 -0.92 118.94 113.80 2b9k s TRP 37 Ca 0.12 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.75 2b9k s TRP 37 Cb 0.03 -2.95 -0.02 0.00 -1.15 0.00 0.00 33.47 29.38 2b9k s TRP 37 CO -0.05 -0.83 -0.04 0.08 0.02 0.00 0.00 176.95 176.13 2b9k s VAL 38 N -2.41 0.23 0.24 4.03 1.01 -0.01 -1.49 120.40 121.99 2b9k s VAL 38 Ca 0.63 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 2b9k s VAL 38 Cb -0.14 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.83 2b9k s VAL 38 CO 0.32 -0.51 0.67 -0.83 0.00 0.00 0.00 175.10 174.74 2b9k s GLY 39 N -1.61 -0.25 -0.23 4.51 0.00 -0.64 -0.89 107.32 108.21 2b9k s GLY 39 Ca -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 2b9k s GLY 39 CO -0.01 -0.03 -0.10 -0.42 0.00 0.00 0.00 173.10 172.54 2b9k s ILE 40 N -3.86 2.65 -0.03 0.90 1.01 -0.26 -2.39 121.20 119.21 2b9k s ILE 40 Ca 0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 2b9k s ILE 40 Cb -0.04 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.15 2b9k s ILE 40 CO 0.00 0.30 0.07 -0.47 0.00 0.00 0.00 174.94 174.83 2b9k s TYR 41 N 1.31 -0.06 -0.42 3.97 6.14 -0.38 -0.96 117.35 126.96 2b9k s TYR 41 Ca 0.01 0.20 0.05 0.00 0.64 0.00 0.00 57.07 57.97 2b9k s TYR 41 Cb -0.16 -0.04 0.61 0.00 0.42 0.00 0.00 41.96 42.79 2b9k s TYR 41 CO -0.07 -0.06 1.79 -1.91 0.64 0.00 0.00 175.55 175.94 2b9k n GLU 42 N 3.43 2.18 0.09 4.97 2.13 -0.49 -0.35 120.64 132.61 2b9k n GLU 42 Ca -0.17 -3.10 0.00 0.00 0.66 0.00 0.00 57.16 54.55 2b9k n GLU 42 Cb 0.57 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.19 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 -1.13 0.00 -1.73 6.31 3.14 -1.16 -0.63 118.33 123.13 2b9k n VAL 43 Ca 0.53 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.51 2b9k n VAL 43 Cb 1.44 -0.23 0.02 0.00 -1.06 0.00 0.00 33.84 34.02 2b9k n VAL 43 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 2b9k n TRP 44 N -2.96 2.35 -2.07 1.45 -0.00 -1.26 -4.94 117.44 110.01 2b9k n TRP 44 Ca 0.00 0.45 0.04 0.00 -0.00 0.00 0.00 57.50 58.00 2b9k n TRP 44 Cb 0.00 -2.40 0.07 0.00 -0.00 0.00 0.00 31.31 28.99 2b9k n TRP 44 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2b9k n ASP 45 N -0.32 1.10 -0.60 5.87 2.03 -1.26 -4.91 116.55 118.45 2b9k n ASP 45 Ca 0.07 -2.54 -0.08 0.00 0.52 0.00 0.00 54.79 52.77 2b9k n ASP 45 Cb 0.42 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 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 -0.14 -1.57 0.00 -0.67 0.63 -1.26 -5.16 116.66 108.48 2b9k n ARG 46 Ca 0.09 0.74 0.01 0.00 -0.92 0.00 0.00 57.85 57.77 2b9k n ARG 46 Cb 0.91 -5.06 0.05 0.00 0.45 0.00 0.00 32.46 28.81 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29