#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9k n ILE 2 N 0.00 3.78 -4.13 0.00 -5.35 -1.26 -4.85 119.36 107.55 2b9k n ILE 2 Ca 0.00 -0.41 -0.23 0.00 -0.27 0.00 0.00 62.75 61.84 2b9k n ILE 2 Cb 0.00 -1.32 -0.06 0.00 -1.74 0.00 0.00 39.64 36.52 2b9k n ILE 2 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2b9k s LYS 3 N -3.47 2.46 -0.08 6.28 3.01 0.42 -4.98 119.74 123.38 2b9k s LYS 3 Ca 0.78 -1.42 0.03 0.00 -1.01 0.00 0.00 55.97 54.35 2b9k s LYS 3 Cb -0.36 -2.25 -0.02 0.00 -1.01 0.00 0.00 37.83 34.19 2b9k s LYS 3 CO 0.45 0.22 -0.15 -0.51 0.51 0.00 0.00 175.35 175.87 2b9k s LEU 4 N -3.81 2.64 0.01 3.17 1.43 -1.26 -1.66 118.68 119.20 2b9k s LEU 4 Ca 0.36 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2b9k s LEU 4 Cb -0.05 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2b9k s LEU 4 CO 0.23 0.27 -0.04 -0.69 0.23 0.00 0.00 176.35 176.35 2b9k s VAL 5 N -0.30 0.29 -0.23 -1.59 1.01 -0.77 -5.01 120.40 113.79 2b9k s VAL 5 Ca 0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2b9k s VAL 5 Cb -0.13 -0.32 0.11 0.00 0.00 0.00 0.00 36.38 36.04 2b9k s VAL 5 CO 0.03 -0.16 0.24 -1.10 0.00 0.00 0.00 175.10 174.11 2b9k s GLN 6 N -0.73 0.23 -0.11 2.72 -0.21 -1.26 -1.38 119.66 118.92 2b9k s GLN 6 Ca -0.05 0.08 -0.17 0.00 0.02 0.00 0.00 55.36 55.23 2b9k s GLN 6 Cb -0.05 -1.04 0.04 0.00 1.00 0.00 0.00 33.01 32.96 2b9k s GLN 6 CO -0.00 -0.77 0.44 -1.12 -2.12 0.00 0.00 175.29 171.71 2b9k s SER 7 N 2.33 -0.42 0.38 5.90 0.01 -0.43 -5.00 113.70 116.47 2b9k s SER 7 Ca 0.08 0.66 0.11 0.00 1.31 0.00 0.00 55.95 58.10 2b9k s SER 7 Cb -0.15 0.71 0.88 0.00 0.21 0.00 0.00 66.02 67.66 2b9k s SER 7 CO -0.19 -0.29 1.90 -0.65 0.41 0.00 0.00 173.24 174.42 2b9k h PRO 8 N 4.69 0.60 0.00 12.44 0.11 -1.87 -2.30 132.00 145.67 2b9k h PRO 8 Ca -0.28 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 2b9k h PRO 8 Cb 1.17 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2b9k h PRO 8 CO 0.29 0.39 -0.35 -2.95 -0.21 0.00 0.00 178.00 175.17 2b9k h ASN 9 N 0.61 0.00 -3.51 -2.05 7.08 -1.93 -3.38 115.58 112.41 2b9k h ASN 9 Ca 0.40 0.00 -0.25 0.00 -3.08 0.00 0.00 56.30 53.36 2b9k h ASN 9 Cb 0.67 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.89 2b9k h ASN 9 CO -0.16 0.35 -0.31 0.61 -2.08 0.00 0.00 177.43 175.84 2b9k n GLY 10 N 0.44 -0.30 3.52 9.14 0.00 -1.14 -4.84 105.19 112.02 2b9k n GLY 10 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.65 2.44 -4.56 1.61 5.15 -1.26 -4.89 115.26 112.10 2b9k n ASN 11 Ca -0.15 0.54 -0.40 0.00 -0.60 0.00 0.00 54.58 53.97 2b9k n ASN 11 Cb 0.59 -1.29 -0.03 0.00 -0.53 0.00 0.00 39.78 38.52 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 6.57 1.95 -0.81 1.20 5.36 -1.26 -4.87 117.98 126.11 2b9k s PHE 12 Ca 1.05 0.56 0.26 0.00 -0.96 0.00 0.00 56.93 57.84 2b9k s PHE 12 Cb -0.81 -4.26 0.82 0.00 -0.34 0.00 0.00 43.02 38.43 2b9k s PHE 12 CO 0.50 -2.24 1.71 0.00 -1.46 0.00 0.00 175.22 173.73 2b9k n ALA 13 N 11.10 2.49 0.00 11.12 0.00 -1.26 -4.97 120.51 138.99 2b9k n ALA 13 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2b9k n ALA 13 Cb 0.50 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.70 0.00 -3.60 0.00 0.00 -1.26 -4.70 120.51 109.24 2b9k n ALA 14 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 2b9k n ALA 14 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.33 0.35 0.00 1.04 -1.26 -0.90 113.70 112.61 2b9k s SER 15 Ca 0.00 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.09 2b9k s SER 15 Cb 0.00 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.64 2b9k s SER 15 CO 0.00 -0.84 0.72 0.12 0.98 0.00 0.00 173.24 174.22 2b9k s PHE 16 N -3.35 0.20 -0.04 5.02 5.36 -0.15 -4.95 117.98 120.06 2b9k s PHE 16 Ca 0.07 -0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 55.25 2b9k s PHE 16 Cb -0.02 0.66 0.02 0.00 -0.34 0.00 0.00 43.02 43.35 2b9k s PHE 16 CO -0.05 -1.43 0.11 0.54 -1.46 0.00 0.00 175.22 172.94 2b9k s VAL 17 N -2.79 -0.02 -0.15 3.12 0.11 -1.26 -0.92 120.40 118.48 2b9k s VAL 17 Ca 0.17 0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.22 2b9k s VAL 17 Cb -0.04 -0.17 0.06 0.00 -1.53 0.00 0.00 36.38 34.69 2b9k s VAL 17 CO 0.12 0.03 0.36 -0.22 -3.33 0.00 0.00 175.10 172.06 2b9k s LEU 18 N 0.50 -0.01 -1.62 2.54 2.96 -0.19 -4.93 118.68 117.93 2b9k s LEU 18 Ca -0.04 0.79 -0.11 0.00 -0.22 0.00 0.00 54.13 54.55 2b9k s LEU 18 Cb -0.05 1.16 0.10 0.00 0.50 0.00 0.00 46.19 47.89 2b9k s LEU 18 CO -0.02 -0.19 0.56 -0.67 -1.32 0.00 0.00 176.35 174.71 2b9k n ASP 19 N 4.39 -1.75 -0.04 3.68 2.03 -1.26 -1.13 116.55 122.48 2b9k n ASP 19 Ca -0.22 -1.07 -0.00 0.00 0.52 0.00 0.00 54.79 54.02 2b9k n ASP 19 Cb 0.54 -2.58 -0.00 0.00 -0.72 0.00 0.00 41.12 38.36 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 -1.69 0.38 3.48 0.27 0.00 -1.26 -5.01 105.19 101.36 2b9k n GLY 20 Ca -0.08 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.71 3.38 0.29 2.61 2.01 -0.28 -5.13 115.64 116.80 2b9k s THR 21 Ca 0.00 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 2b9k s THR 21 Cb 0.00 -2.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.05 2b9k s THR 21 CO 0.00 0.56 0.60 -0.75 -0.69 0.00 0.00 174.62 174.34 2b9k s LYS 22 N -0.28 3.75 -0.00 4.92 2.20 -1.26 -1.03 119.74 128.05 2b9k s LYS 22 Ca 0.03 0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.89 2b9k s LYS 22 Cb -0.13 -2.59 -0.00 0.00 -1.51 0.00 0.00 37.83 33.60 2b9k s LYS 22 CO 0.03 0.21 -0.02 -1.58 -0.36 0.00 0.00 175.35 173.62 2b9k s TRP 23 N -2.02 0.21 0.08 4.03 0.52 -0.10 -4.96 118.94 116.71 2b9k s TRP 23 Ca 0.47 -0.05 -0.18 0.00 0.02 0.00 0.00 56.10 56.37 2b9k s TRP 23 Cb -0.11 -0.14 0.04 0.00 -1.15 0.00 0.00 33.47 32.11 2b9k s TRP 23 CO 0.26 -0.01 0.42 -1.50 0.02 0.00 0.00 176.95 176.14 2b9k s ILE 24 N -0.08 0.06 0.78 2.03 2.07 0.47 -0.98 121.20 125.55 2b9k s ILE 24 Ca 0.01 -0.48 -0.14 0.00 -1.41 0.00 0.00 60.65 58.63 2b9k s ILE 24 Cb -0.01 -1.05 0.05 0.00 0.13 0.00 0.00 42.46 41.58 2b9k s ILE 24 CO -0.00 -0.26 1.12 0.33 -1.91 0.00 0.00 174.94 174.21 2b9k n PHE 25 N 0.14 1.06 0.04 3.50 7.35 -0.07 -1.47 117.46 128.01 2b9k n PHE 25 Ca -0.17 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2b9k n PHE 25 Cb 0.62 -2.10 0.00 0.00 0.35 0.00 0.00 39.48 38.35 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 -2.75 0.00 -3.72 -4.13 0.00 -1.24 -4.73 118.16 101.59 2b9k n LYS 26 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.31 2b9k n LYS 26 Cb 0.50 -0.04 -0.08 0.00 0.00 0.00 0.00 35.03 35.41 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 -4.58 -0.25 0.03 3.14 0.01 -0.25 -5.01 113.70 106.78 2b9k s SER 27 Ca 0.00 0.11 -0.08 0.00 1.31 0.00 0.00 55.95 57.29 2b9k s SER 27 Cb 0.00 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2b9k s SER 27 CO 0.00 -0.52 0.16 -1.59 0.41 0.00 0.00 173.24 171.70 2b9k s LYS 28 N -1.64 0.61 0.09 12.44 -2.85 -1.26 -1.33 119.74 125.80 2b9k s LYS 28 Ca -0.11 -0.57 -0.17 0.00 -1.00 0.00 0.00 55.97 54.12 2b9k s LYS 28 Cb -0.03 0.25 0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2b9k s LYS 28 CO 0.03 -0.16 0.41 1.52 0.10 0.00 0.00 175.35 177.25 2b9k s TYR 29 N -2.17 -0.24 -0.20 1.78 1.13 -0.14 -4.98 117.35 112.53 2b9k s TYR 29 Ca -0.08 0.04 -0.18 0.00 -1.41 0.00 0.00 57.07 55.44 2b9k s TYR 29 Cb -0.03 0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 41.05 2b9k s TYR 29 CO -0.02 -0.65 0.52 -0.47 -2.51 0.00 0.00 175.55 172.42 2b9k s TYR 30 N -3.24 3.37 -1.00 -3.49 5.04 -1.26 -0.73 117.35 116.04 2b9k s TYR 30 Ca -0.01 0.77 -0.15 0.00 -2.44 0.00 0.00 57.07 55.24 2b9k s TYR 30 Cb 0.01 -2.67 0.18 0.00 0.35 0.00 0.00 41.96 39.83 2b9k s TYR 30 CO -0.08 -0.11 1.11 0.34 -1.34 0.00 0.00 175.55 175.47 2b9k s ASP 31 N 1.17 6.87 0.47 4.32 2.15 0.09 -4.88 116.67 126.86 2b9k s ASP 31 Ca 0.24 -2.65 0.26 0.00 0.43 0.00 0.00 52.55 50.82 2b9k s ASP 31 Cb -0.15 -2.33 1.40 0.00 -0.30 0.00 0.00 42.92 41.54 2b9k s ASP 31 CO 0.10 -0.76 1.76 0.28 -0.17 0.00 0.00 175.17 176.38 2b9k h SER 32 N 7.87 0.00 0.19 -0.34 0.02 -1.95 0.90 113.55 120.24 2b9k h SER 32 Ca 0.19 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2b9k h SER 32 Cb 0.97 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 2b9k h SER 32 CO 1.04 0.00 -0.14 0.28 -1.14 0.00 0.00 176.83 176.86 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.94 -3.32 113.55 111.37 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 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2b9k h SER 33 CO 0.00 0.14 -0.13 0.29 -1.14 0.00 0.00 176.83 175.99 2b9k n LYS 34 N -4.17 3.13 -2.11 3.45 4.76 -0.70 -5.07 118.16 117.44 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 0.22 -0.37 0.00 0.00 -1.84 0.00 0.00 35.03 33.04 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 0.62 0.77 3.24 0.72 0.00 0.23 -5.09 105.19 105.69 2b9k n GLY 35 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.88 0.36 0.54 1.61 -0.85 -1.22 -4.81 117.35 110.11 2b9k s TYR 36 Ca 0.00 -0.77 -0.18 0.00 -0.52 0.00 0.00 57.07 55.60 2b9k s TYR 36 Cb 0.00 -0.13 -0.06 0.00 0.38 0.00 0.00 41.96 42.15 2b9k s TYR 36 CO 0.00 -0.60 1.04 -1.58 -1.52 0.00 0.00 175.55 172.89 2b9k s TRP 37 N -3.93 3.07 0.07 -3.49 0.52 -0.88 -0.73 118.94 113.56 2b9k s TRP 37 Ca 0.12 1.53 0.02 0.00 0.02 0.00 0.00 56.10 57.80 2b9k s TRP 37 Cb 0.05 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.35 2b9k s TRP 37 CO -0.05 -0.87 -0.08 0.08 0.02 0.00 0.00 176.95 176.04 2b9k s VAL 38 N -2.31 0.67 0.14 4.03 1.01 0.09 -1.32 120.40 122.72 2b9k s VAL 38 Ca 0.64 -1.38 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 2b9k s VAL 38 Cb -0.15 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.29 2b9k s VAL 38 CO 0.29 -0.52 0.71 -0.83 0.00 0.00 0.00 175.10 174.76 2b9k s GLY 39 N -2.07 -0.48 -0.26 4.51 0.00 -0.48 -0.96 107.32 107.58 2b9k s GLY 39 Ca -0.02 0.48 -0.10 0.00 0.00 0.00 0.00 44.72 45.09 2b9k s GLY 39 CO -0.01 0.16 0.14 -0.42 0.00 0.00 0.00 173.10 172.97 2b9k s ILE 40 N -3.59 5.00 -0.08 0.90 1.01 -0.44 -1.85 121.20 122.16 2b9k s ILE 40 Ca 0.04 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 2b9k s ILE 40 Cb -0.02 -3.35 0.03 0.00 0.01 0.00 0.00 42.46 39.13 2b9k s ILE 40 CO -0.08 0.31 0.19 -0.47 0.00 0.00 0.00 174.94 174.89 2b9k s TYR 41 N 1.46 -0.22 -0.40 3.97 6.14 -0.67 -1.09 117.35 126.54 2b9k s TYR 41 Ca 0.07 0.55 0.05 0.00 0.64 0.00 0.00 57.07 58.38 2b9k s TYR 41 Cb -0.15 0.05 0.53 0.00 0.42 0.00 0.00 41.96 42.81 2b9k s TYR 41 CO 0.07 -0.13 1.63 -1.91 0.64 0.00 0.00 175.55 175.85 2b9k n GLU 42 N 3.33 2.34 0.00 4.97 2.13 -0.54 -0.43 120.64 132.44 2b9k n GLU 42 Ca -0.16 -3.32 0.00 0.00 0.66 0.00 0.00 57.16 54.34 2b9k n GLU 42 Cb 0.57 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 -1.03 0.00 -1.75 6.31 3.14 -1.20 -0.39 118.33 123.41 2b9k n VAL 43 Ca 0.46 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.50 2b9k n VAL 43 Cb 1.10 -0.04 0.06 0.00 -1.06 0.00 0.00 33.84 33.89 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 -1.44 2.36 -0.13 1.45 -0.00 -1.26 -4.97 118.94 114.94 2b9k s TRP 44 Ca 0.00 1.56 0.17 0.00 -0.00 0.00 0.00 56.10 57.83 2b9k s TRP 44 Cb 0.00 -3.36 0.35 0.00 -0.00 0.00 0.00 33.47 30.46 2b9k s TRP 44 CO 0.00 -2.13 1.19 -3.47 -0.00 0.00 0.00 176.95 172.53 2b9k n ASP 45 N -2.23 0.23 0.00 5.86 2.03 -1.26 -4.92 116.55 116.26 2b9k n ASP 45 Ca 0.12 -2.05 0.00 0.00 0.52 0.00 0.00 54.79 53.39 2b9k n ASP 45 Cb 0.51 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2b9k n ASP 45 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b9k n ARG 46 N -0.29 0.00 0.00 -0.67 1.74 -1.26 -5.15 116.66 111.02 2b9k n ARG 46 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2b9k n ARG 46 Cb 0.90 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2b9k n ARG 46 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74