#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 2.19 0.17 0.00 -4.36 -1.26 -4.84 121.20 113.10 2b9k s ILE 2 Ca 0.00 0.06 0.05 0.00 -0.26 0.00 0.00 60.65 60.50 2b9k s ILE 2 Cb 0.00 -2.22 -0.05 0.00 1.25 0.00 0.00 42.46 41.44 2b9k s ILE 2 CO 0.00 -0.08 -0.08 -0.54 0.24 0.00 0.00 174.94 174.48 2b9k s LYS 3 N -4.64 1.16 -0.11 0.37 1.02 0.47 -4.98 119.74 113.02 2b9k s LYS 3 Ca 0.67 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 2b9k s LYS 3 Cb -0.23 -0.68 -0.03 0.00 -0.52 0.00 0.00 37.83 36.38 2b9k s LYS 3 CO 0.61 0.05 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.52 2b9k s LEU 4 N -3.22 3.21 0.01 3.17 1.43 -1.26 -1.51 118.68 120.51 2b9k s LEU 4 Ca 0.20 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2b9k s LEU 4 Cb 0.03 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2b9k s LEU 4 CO 0.03 0.26 -0.01 -0.69 0.23 0.00 0.00 176.35 176.18 2b9k s VAL 5 N -0.21 0.09 -0.18 -1.59 1.01 -0.74 -5.02 120.40 113.76 2b9k s VAL 5 Ca 0.03 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 2b9k s VAL 5 Cb -0.13 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.07 2b9k s VAL 5 CO 0.03 -0.40 0.46 0.00 0.00 0.00 0.00 175.10 175.19 2b9k s GLN 6 N -1.20 0.52 -0.00 2.72 -2.07 -1.26 -0.97 119.66 117.40 2b9k s GLN 6 Ca -0.13 0.70 -0.29 0.00 -1.82 0.00 0.00 55.36 53.82 2b9k s GLN 6 Cb -0.08 0.20 0.08 0.00 -1.09 0.00 0.00 33.01 32.12 2b9k s GLN 6 CO -0.01 -0.09 0.69 -1.12 -1.32 0.00 0.00 175.29 173.45 2b9k s SER 7 N 0.53 -0.60 0.38 12.60 0.01 -0.75 -4.91 113.70 120.96 2b9k s SER 7 Ca -0.02 0.47 0.16 0.00 1.31 0.00 0.00 55.95 57.88 2b9k s SER 7 Cb -0.04 0.53 0.78 0.00 0.21 0.00 0.00 66.02 67.50 2b9k s SER 7 CO -0.03 -0.68 1.81 1.55 0.41 0.00 0.00 173.24 176.30 2b9k h PRO 8 N 2.66 0.00 0.00 12.44 0.13 -1.87 -1.67 132.00 143.70 2b9k h PRO 8 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2b9k h PRO 8 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2b9k h PRO 8 CO 0.38 0.36 0.00 -2.95 -0.23 0.00 0.00 178.00 175.56 2b9k h ASN 9 N 0.00 0.00 -6.52 1.44 -1.07 -1.94 -3.40 115.58 104.09 2b9k h ASN 9 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.86 2b9k h ASN 9 Cb 0.72 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 36.87 2b9k h ASN 9 CO 0.05 0.00 -0.84 0.61 0.07 0.00 0.00 177.43 177.32 2b9k n GLY 10 N 0.74 -0.36 3.52 9.14 0.00 -1.19 -4.81 105.19 112.24 2b9k n GLY 10 Ca 0.04 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.84 2.27 -4.68 1.61 5.15 -1.26 -4.93 115.26 110.57 2b9k n ASN 11 Ca -0.10 -2.61 -0.46 0.00 -0.60 0.00 0.00 54.58 50.80 2b9k n ASN 11 Cb 0.58 -1.57 -0.04 0.00 -0.53 0.00 0.00 39.78 38.23 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 15.05 2.34 0.42 1.20 7.35 -1.26 -4.92 117.46 137.64 2b9k n PHE 12 Ca 0.44 0.14 0.05 0.00 -0.76 0.00 0.00 57.45 57.32 2b9k n PHE 12 Cb 0.46 -2.60 -0.00 0.00 0.35 0.00 0.00 39.48 37.68 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 4.62 2.81 0.00 3.13 0.00 -1.26 -5.04 120.51 124.77 2b9k n ALA 13 Ca 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2b9k n ALA 13 Cb 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.28 0.00 -3.56 0.00 0.00 -1.26 -4.68 120.51 110.74 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 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 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 0.33 0.00 1.04 -1.26 -0.88 113.70 112.57 2b9k s SER 15 Ca 0.00 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.15 2b9k s SER 15 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2b9k s SER 15 CO 0.00 -0.77 0.72 0.12 0.98 0.00 0.00 173.24 174.29 2b9k s PHE 16 N -3.30 0.06 -0.03 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 0.69 0.02 0.00 -0.34 0.00 0.00 43.02 43.37 2b9k s PHE 16 CO -0.07 -1.37 -0.02 0.08 -1.46 0.00 0.00 175.22 172.38 2b9k s VAL 17 N -3.14 0.30 -0.13 3.12 1.01 -1.26 -0.76 120.40 119.54 2b9k s VAL 17 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 2b9k s VAL 17 Cb -0.05 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.04 2b9k s VAL 17 CO 0.10 0.15 0.29 -0.22 0.00 0.00 0.00 175.10 175.42 2b9k s LEU 18 N 0.68 0.10 -1.66 3.92 1.98 -0.32 -4.88 118.68 118.50 2b9k s LEU 18 Ca -0.07 0.64 -0.15 0.00 -2.89 0.00 0.00 54.13 51.65 2b9k s LEU 18 Cb -0.11 0.88 0.13 0.00 0.66 0.00 0.00 46.19 47.75 2b9k s LEU 18 CO -0.01 -0.19 0.67 -0.67 -1.89 0.00 0.00 176.35 174.26 2b9k n ASP 19 N 4.54 -2.45 0.00 3.68 2.03 -1.26 -1.31 116.55 121.78 2b9k n ASP 19 Ca -0.20 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.06 2b9k n ASP 19 Cb 0.52 -2.64 0.00 0.00 -0.72 0.00 0.00 41.12 38.29 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 -1.54 0.63 3.85 0.27 0.00 -1.26 -5.00 105.19 102.14 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 -2.84 5.16 0.25 2.61 2.01 -0.43 -5.10 115.64 117.31 2b9k s THR 21 Ca 0.00 0.62 -0.09 0.00 0.31 0.00 0.00 61.69 62.53 2b9k s THR 21 Cb 0.00 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.82 2b9k s THR 21 CO 0.00 0.55 0.56 -0.75 -0.69 0.00 0.00 174.62 174.30 2b9k s LYS 22 N -1.17 3.77 -0.00 4.92 2.20 -1.26 -1.17 119.74 127.02 2b9k s LYS 22 Ca 0.23 0.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.08 2b9k s LYS 22 Cb -0.15 -2.63 -0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2b9k s LYS 22 CO 0.12 0.28 -0.03 -1.58 -0.36 0.00 0.00 175.35 173.78 2b9k s TRP 23 N -1.90 0.25 0.12 4.03 0.52 0.06 -4.96 118.94 117.06 2b9k s TRP 23 Ca 0.47 -0.06 -0.16 0.00 0.02 0.00 0.00 56.10 56.37 2b9k s TRP 23 Cb -0.11 -0.16 0.03 0.00 -1.15 0.00 0.00 33.47 32.08 2b9k s TRP 23 CO 0.23 -0.01 0.39 -1.50 0.02 0.00 0.00 176.95 176.09 2b9k s ILE 24 N -0.09 0.07 0.84 2.03 2.07 0.50 -1.02 121.20 125.59 2b9k s ILE 24 Ca 0.01 -0.59 -0.13 0.00 -1.41 0.00 0.00 60.65 58.53 2b9k s ILE 24 Cb -0.01 -1.16 0.08 0.00 0.13 0.00 0.00 42.46 41.49 2b9k s ILE 24 CO -0.00 -0.33 1.04 0.33 -1.91 0.00 0.00 174.94 174.07 2b9k n PHE 25 N -0.19 0.69 0.08 3.50 7.35 -0.06 -1.58 117.46 127.24 2b9k n PHE 25 Ca -0.16 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2b9k n PHE 25 Cb 0.64 -2.03 0.00 0.00 0.35 0.00 0.00 39.48 38.43 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 -3.05 0.00 -3.71 -4.13 0.00 -1.24 -4.71 118.16 101.32 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 -0.02 -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 -4.64 -0.30 0.06 3.14 0.01 -0.17 -5.01 113.70 106.80 2b9k s SER 27 Ca 0.00 0.23 -0.10 0.00 1.31 0.00 0.00 55.95 57.39 2b9k s SER 27 Cb 0.00 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2b9k s SER 27 CO 0.00 -0.48 0.22 -1.59 0.41 0.00 0.00 173.24 171.79 2b9k s LYS 28 N -1.28 0.79 0.14 12.44 -2.85 -1.26 -1.25 119.74 126.46 2b9k s LYS 28 Ca -0.13 -0.76 -0.18 0.00 -1.00 0.00 0.00 55.97 53.91 2b9k s LYS 28 Cb -0.04 0.33 0.04 0.00 -2.06 0.00 0.00 37.83 36.10 2b9k s LYS 28 CO 0.06 -0.25 0.45 1.52 0.10 0.00 0.00 175.35 177.23 2b9k s TYR 29 N -3.17 -0.28 -0.23 1.78 1.13 -0.17 -4.98 117.35 111.43 2b9k s TYR 29 Ca -0.00 -0.01 -0.17 0.00 -1.41 0.00 0.00 57.07 55.47 2b9k s TYR 29 Cb 0.02 0.34 -0.03 0.00 -1.10 0.00 0.00 41.96 41.18 2b9k s TYR 29 CO -0.07 -0.75 0.49 -0.47 -2.51 0.00 0.00 175.55 172.24 2b9k s TYR 30 N -3.79 3.31 -1.22 -3.49 5.04 -1.26 -0.92 117.35 115.02 2b9k s TYR 30 Ca 0.03 0.65 -0.13 0.00 -2.44 0.00 0.00 57.07 55.18 2b9k s TYR 30 Cb 0.01 -2.66 0.17 0.00 0.35 0.00 0.00 41.96 39.83 2b9k s TYR 30 CO -0.12 -0.18 1.47 -3.47 -1.34 0.00 0.00 175.55 171.90 2b9k n ASP 31 N 5.14 5.22 -0.05 4.32 2.03 0.03 -4.87 116.55 128.36 2b9k n ASP 31 Ca -0.05 -2.98 0.24 0.00 0.52 0.00 0.00 54.79 52.51 2b9k n ASP 31 Cb 0.50 -1.57 0.72 0.00 -0.72 0.00 0.00 41.12 40.05 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 7.05 0.00 0.67 1.67 0.02 -1.95 0.14 113.55 121.15 2b9k h SER 32 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2b9k h SER 32 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2b9k h SER 32 CO 1.27 0.00 0.00 0.28 -1.14 0.00 0.00 176.83 177.24 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.24 113.55 111.45 2b9k h SER 33 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2b9k h SER 33 Cb 1.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2b9k h SER 33 CO -0.00 0.00 -0.56 0.29 -1.14 0.00 0.00 176.83 175.42 2b9k n LYS 34 N -3.08 2.52 -2.16 3.45 4.76 -0.15 -5.06 118.16 118.44 2b9k n LYS 34 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2b9k n LYS 34 Cb 0.23 -0.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.67 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 1.63 0.85 3.28 0.72 0.00 0.30 -5.08 105.19 106.89 2b9k n GLY 35 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.68 0.29 0.54 1.61 -0.85 -1.24 -4.80 117.35 110.23 2b9k s TYR 36 Ca 0.00 -0.68 -0.17 0.00 -0.52 0.00 0.00 57.07 55.70 2b9k s TYR 36 Cb 0.00 -0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.23 2b9k s TYR 36 CO 0.00 -0.65 1.03 -1.58 -1.52 0.00 0.00 175.55 172.83 2b9k s TRP 37 N -3.92 3.11 0.03 -3.49 0.52 -0.63 -0.79 118.94 113.76 2b9k s TRP 37 Ca 0.12 1.52 -0.00 0.00 0.02 0.00 0.00 56.10 57.76 2b9k s TRP 37 Cb 0.04 -2.97 -0.03 0.00 -1.15 0.00 0.00 33.47 29.36 2b9k s TRP 37 CO -0.05 -0.84 -0.03 0.08 0.02 0.00 0.00 176.95 176.14 2b9k s VAL 38 N -2.36 0.18 0.13 4.03 1.01 -0.09 -1.81 120.40 121.49 2b9k s VAL 38 Ca 0.63 -1.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 2b9k s VAL 38 Cb -0.14 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.50 2b9k s VAL 38 CO 0.30 -0.71 0.82 -0.83 0.00 0.00 0.00 175.10 174.69 2b9k s GLY 39 N -2.08 -0.35 -0.21 4.51 0.00 -0.14 -1.00 107.32 108.05 2b9k s GLY 39 Ca -0.06 0.36 -0.07 0.00 0.00 0.00 0.00 44.72 44.96 2b9k s GLY 39 CO -0.05 0.11 0.04 -0.42 0.00 0.00 0.00 173.10 172.79 2b9k s ILE 40 N -3.45 4.39 0.03 0.90 1.01 -0.38 -1.80 121.20 121.90 2b9k s ILE 40 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 2b9k s ILE 40 Cb -0.02 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 2b9k s ILE 40 CO -0.03 0.41 0.05 -0.31 0.00 0.00 0.00 174.94 175.06 2b9k s TYR 41 N 0.93 0.24 -0.18 3.97 2.02 -0.57 -1.00 117.35 122.77 2b9k s TYR 41 Ca 0.03 -0.55 0.14 0.00 -0.37 0.00 0.00 57.07 56.32 2b9k s TYR 41 Cb -0.14 -0.18 0.43 0.00 -0.40 0.00 0.00 41.96 41.67 2b9k s TYR 41 CO 0.02 -0.32 1.20 -1.91 -1.57 0.00 0.00 175.55 172.98 2b9k n GLU 42 N 0.94 1.50 0.00 -0.62 2.13 -0.61 -0.40 120.64 123.59 2b9k n GLU 42 Ca -0.20 -3.15 0.00 0.00 0.66 0.00 0.00 57.16 54.47 2b9k n GLU 42 Cb 0.58 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.92 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 -0.73 0.00 -1.98 6.31 3.14 -1.17 -0.37 118.33 123.53 2b9k n VAL 43 Ca 0.19 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.20 2b9k n VAL 43 Cb 0.82 -0.09 0.03 0.00 -1.06 0.00 0.00 33.84 33.54 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 -1.54 2.41 -0.24 1.45 -0.00 -1.26 -4.96 118.94 114.81 2b9k s TRP 44 Ca 0.00 1.49 0.23 0.00 -0.00 0.00 0.00 56.10 57.82 2b9k s TRP 44 Cb 0.00 -3.55 0.50 0.00 -0.00 0.00 0.00 33.47 30.42 2b9k s TRP 44 CO 0.00 -2.30 1.13 -3.47 -0.00 0.00 0.00 176.95 172.31 2b9k n ASP 45 N -1.34 1.40 -3.61 5.86 2.03 -1.26 -4.91 116.55 114.72 2b9k n ASP 45 Ca 0.12 -2.03 -0.23 0.00 0.52 0.00 0.00 54.79 53.18 2b9k n ASP 45 Cb 0.48 -0.42 0.07 0.00 -0.72 0.00 0.00 41.12 40.53 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 -0.53 -7.05 0.00 -0.67 0.63 -1.26 -5.14 116.66 102.63 2b9k n ARG 46 Ca 0.06 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 2b9k n ARG 46 Cb 0.83 -5.77 0.00 0.00 0.45 0.00 0.00 32.46 27.97 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29