#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 1.33 -4.37 0.00 -6.64 -1.26 -4.90 119.36 103.51 2b9k n ILE 2 Ca 0.00 -0.23 -0.24 0.00 -1.77 0.00 0.00 62.75 60.51 2b9k n ILE 2 Cb 0.00 -0.95 -0.09 0.00 -1.44 0.00 0.00 39.64 37.17 2b9k n ILE 2 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 2b9k s LYS 3 N -3.76 2.02 -0.06 6.28 1.02 0.44 -4.99 119.74 120.70 2b9k s LYS 3 Ca 0.67 -1.73 0.04 0.00 0.02 0.00 0.00 55.97 54.97 2b9k s LYS 3 Cb -0.28 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2b9k s LYS 3 CO 0.57 0.19 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.51 2b9k s LEU 4 N -3.67 1.88 0.04 3.17 1.43 -1.26 -1.49 118.68 118.78 2b9k s LEU 4 Ca 0.33 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2b9k s LEU 4 Cb -0.01 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2b9k s LEU 4 CO 0.18 0.13 -0.07 -0.69 0.23 0.00 0.00 176.35 176.14 2b9k s VAL 5 N 0.21 0.46 -0.08 -1.59 1.01 -0.75 -5.00 120.40 114.67 2b9k s VAL 5 Ca -0.08 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 2b9k s VAL 5 Cb -0.13 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.75 2b9k s VAL 5 CO 0.03 -0.38 0.18 -1.10 0.00 0.00 0.00 175.10 173.83 2b9k s GLN 6 N -1.51 0.11 -0.13 2.72 1.11 -1.26 -1.27 119.66 119.43 2b9k s GLN 6 Ca -0.11 0.47 -0.30 0.00 0.01 0.00 0.00 55.36 55.43 2b9k s GLN 6 Cb -0.10 -0.17 0.13 0.00 -1.01 0.00 0.00 33.01 31.86 2b9k s GLN 6 CO 0.00 -0.20 1.01 -1.12 0.01 0.00 0.00 175.29 175.00 2b9k s SER 7 N 1.47 -0.33 0.48 5.90 0.01 -0.65 -4.98 113.70 115.60 2b9k s SER 7 Ca -0.06 0.24 0.25 0.00 1.31 0.00 0.00 55.95 57.69 2b9k s SER 7 Cb -0.11 0.29 1.17 0.00 0.21 0.00 0.00 66.02 67.58 2b9k s SER 7 CO -0.07 -0.38 1.95 1.55 0.41 0.00 0.00 173.24 176.70 2b9k h PRO 8 N 2.34 0.00 0.00 12.44 0.13 -1.88 -1.79 132.00 143.23 2b9k h PRO 8 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2b9k h PRO 8 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2b9k h PRO 8 CO 0.30 0.19 -0.17 -2.95 -0.23 0.00 0.00 178.00 175.14 2b9k h ASN 9 N 0.00 0.00 -6.06 1.44 7.08 -1.95 -3.39 115.58 112.70 2b9k h ASN 9 Ca -0.00 -0.01 -0.45 0.00 -3.08 0.00 0.00 56.30 52.76 2b9k h ASN 9 Cb 0.54 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 36.64 2b9k h ASN 9 CO 0.02 0.01 -0.68 0.61 -2.08 0.00 0.00 177.43 175.31 2b9k n GLY 10 N 1.16 -0.47 3.54 9.14 0.00 -1.17 -4.76 105.19 112.62 2b9k n GLY 10 Ca 0.04 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.47 1.67 -4.64 1.61 5.15 -1.26 -4.90 115.26 110.43 2b9k n ASN 11 Ca 0.03 -0.36 -0.43 0.00 -0.60 0.00 0.00 54.58 53.23 2b9k n ASN 11 Cb 0.52 -1.39 -0.02 0.00 -0.53 0.00 0.00 39.78 38.36 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 11.28 2.69 -0.84 1.20 5.36 -1.26 -4.91 117.98 131.49 2b9k s PHE 12 Ca 1.09 0.89 0.23 0.00 -0.96 0.00 0.00 56.93 58.18 2b9k s PHE 12 Cb -0.49 -3.77 0.06 0.00 -0.34 0.00 0.00 43.02 38.49 2b9k s PHE 12 CO 0.32 -1.82 1.07 0.00 -1.46 0.00 0.00 175.22 173.33 2b9k n ALA 13 N 7.31 3.92 0.00 11.12 0.00 -1.26 -5.00 120.51 136.60 2b9k n ALA 13 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2b9k n ALA 13 Cb 0.46 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.63 0.00 -3.61 0.00 0.00 -1.26 -4.71 120.51 109.29 2b9k n ALA 14 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 2b9k n ALA 14 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.27 0.35 0.00 1.04 -1.26 -0.71 113.70 112.84 2b9k s SER 15 Ca 0.00 -0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.10 2b9k s SER 15 Cb 0.00 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.57 2b9k s SER 15 CO 0.00 -0.72 0.73 0.12 0.98 0.00 0.00 173.24 174.35 2b9k s PHE 16 N -3.15 0.13 -0.02 5.02 5.36 -0.19 -4.95 117.98 120.18 2b9k s PHE 16 Ca 0.08 -0.70 0.01 0.00 -0.96 0.00 0.00 56.93 55.37 2b9k s PHE 16 Cb -0.01 0.69 0.02 0.00 -0.34 0.00 0.00 43.02 43.38 2b9k s PHE 16 CO -0.04 -1.42 -0.02 0.08 -1.46 0.00 0.00 175.22 172.36 2b9k s VAL 17 N -2.89 0.30 -0.10 3.12 1.01 -1.26 -0.82 120.40 119.76 2b9k s VAL 17 Ca 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 2b9k s VAL 17 Cb -0.05 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 36.03 2b9k s VAL 17 CO 0.11 0.15 0.24 -0.22 0.00 0.00 0.00 175.10 175.38 2b9k s LEU 18 N 0.67 0.58 -1.47 3.92 2.96 -0.25 -4.93 118.68 120.15 2b9k s LEU 18 Ca -0.07 0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 2b9k s LEU 18 Cb -0.10 0.75 0.01 0.00 0.50 0.00 0.00 46.19 47.34 2b9k s LEU 18 CO -0.01 -0.15 0.32 -0.67 -1.32 0.00 0.00 176.35 174.53 2b9k n ASP 19 N 3.93 -0.12 -0.96 3.68 2.03 -1.26 -1.36 116.55 122.48 2b9k n ASP 19 Ca -0.22 -1.09 -0.13 0.00 0.52 0.00 0.00 54.79 53.87 2b9k n ASP 19 Cb 0.54 -2.60 -0.05 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 -2.11 1.35 3.11 0.27 0.00 -1.26 -4.99 105.19 101.55 2b9k n GLY 20 Ca -0.29 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.46 1.28 0.33 2.61 2.01 -0.46 -5.14 115.64 113.80 2b9k s THR 21 Ca 0.00 -0.64 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 2b9k s THR 21 Cb 0.00 -1.10 -0.08 0.00 0.01 0.00 0.00 72.50 71.33 2b9k s THR 21 CO 0.00 0.37 0.72 -0.75 -0.69 0.00 0.00 174.62 174.28 2b9k s LYS 22 N -0.02 3.95 -0.00 4.92 2.20 -1.26 -1.09 119.74 128.44 2b9k s LYS 22 Ca -0.01 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.22 2b9k s LYS 22 Cb -0.10 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2b9k s LYS 22 CO 0.01 0.14 -0.05 -1.58 -0.36 0.00 0.00 175.35 173.51 2b9k s TRP 23 N -2.02 0.46 0.07 4.03 0.52 0.00 -4.95 118.94 117.05 2b9k s TRP 23 Ca 0.53 -0.12 -0.15 0.00 0.02 0.00 0.00 56.10 56.38 2b9k s TRP 23 Cb -0.10 -0.30 0.03 0.00 -1.15 0.00 0.00 33.47 31.95 2b9k s TRP 23 CO 0.20 -0.01 0.35 -1.50 0.02 0.00 0.00 176.95 176.00 2b9k s ILE 24 N -0.22 0.08 0.72 2.03 2.07 0.71 -1.02 121.20 125.57 2b9k s ILE 24 Ca 0.01 -0.64 -0.16 0.00 -1.41 0.00 0.00 60.65 58.45 2b9k s ILE 24 Cb -0.03 -1.04 0.02 0.00 0.13 0.00 0.00 42.46 41.54 2b9k s ILE 24 CO -0.00 -0.35 1.09 0.33 -1.91 0.00 0.00 174.94 174.10 2b9k n PHE 25 N 0.29 1.10 0.00 3.50 7.35 0.11 -1.72 117.46 128.09 2b9k n PHE 25 Ca -0.18 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 2b9k n PHE 25 Cb 0.61 -2.13 0.00 0.00 0.35 0.00 0.00 39.48 38.31 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 -2.13 0.00 -3.67 -4.13 0.00 -1.24 -4.74 118.16 102.25 2b9k n LYS 26 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.30 2b9k n LYS 26 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.44 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 -4.32 -0.38 0.04 3.14 0.01 -0.47 -5.03 113.70 106.69 2b9k s SER 27 Ca 0.00 0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.62 2b9k s SER 27 Cb 0.00 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.64 2b9k s SER 27 CO 0.00 -0.48 -0.01 -1.59 0.41 0.00 0.00 173.24 171.57 2b9k s LYS 28 N -1.16 0.51 0.03 12.44 -2.85 -1.26 -1.06 119.74 126.38 2b9k s LYS 28 Ca -0.12 -0.95 -0.12 0.00 -1.00 0.00 0.00 55.97 53.78 2b9k s LYS 28 Cb -0.03 0.18 0.01 0.00 -2.06 0.00 0.00 37.83 35.93 2b9k s LYS 28 CO 0.06 -0.10 0.26 1.52 0.10 0.00 0.00 175.35 177.19 2b9k s TYR 29 N -2.91 -0.06 -0.28 1.78 1.13 -0.00 -4.98 117.35 112.03 2b9k s TYR 29 Ca -0.02 -0.07 -0.21 0.00 -1.41 0.00 0.00 57.07 55.35 2b9k s TYR 29 Cb 0.01 0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.90 2b9k s TYR 29 CO -0.06 -0.45 0.67 -0.47 -2.51 0.00 0.00 175.55 172.73 2b9k s TYR 30 N -2.31 3.24 -0.87 -3.49 5.04 -1.26 -0.82 117.35 116.89 2b9k s TYR 30 Ca -0.07 0.74 -0.23 0.00 -2.44 0.00 0.00 57.07 55.08 2b9k s TYR 30 Cb -0.02 -2.98 0.07 0.00 0.35 0.00 0.00 41.96 39.38 2b9k s TYR 30 CO -0.02 -0.43 1.24 0.34 -1.34 0.00 0.00 175.55 175.33 2b9k s ASP 31 N 1.56 6.39 0.51 4.32 -1.08 0.21 -4.88 116.67 123.69 2b9k s ASP 31 Ca 0.27 -1.29 0.26 0.00 -0.52 0.00 0.00 52.55 51.27 2b9k s ASP 31 Cb -0.15 -2.50 1.38 0.00 -1.46 0.00 0.00 42.92 40.20 2b9k s ASP 31 CO 0.10 -1.46 2.06 0.28 0.52 0.00 0.00 175.17 176.68 2b9k h SER 32 N 9.56 0.00 -0.30 -0.34 0.02 -1.95 0.19 113.55 120.74 2b9k h SER 32 Ca -0.01 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 2b9k h SER 32 Cb 1.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2b9k h SER 32 CO 1.27 0.13 -0.33 0.28 -1.14 0.00 0.00 176.83 177.04 2b9k h SER 33 N 0.00 0.81 1.11 3.07 0.02 -1.94 -3.15 113.55 113.47 2b9k h SER 33 Ca -0.00 -0.48 -0.14 0.00 -0.84 0.00 0.00 61.79 60.32 2b9k h SER 33 Cb 0.34 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2b9k h SER 33 CO 0.02 1.13 -0.93 0.11 -1.14 0.00 0.00 176.83 176.01 2b9k h LYS 34 N 0.51 0.00 -1.61 3.45 1.79 -1.94 -3.48 116.57 115.28 2b9k h LYS 34 Ca 0.04 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2b9k h LYS 34 Cb 0.91 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.58 2b9k h LYS 34 CO 0.08 0.46 -0.08 0.41 -1.08 0.00 0.00 179.45 179.25 2b9k n GLY 35 N 1.31 0.75 3.46 3.86 0.00 0.66 -5.08 105.19 110.15 2b9k n GLY 35 Ca -0.03 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.04 0.44 0.53 1.61 -0.85 -1.04 -4.84 117.35 110.16 2b9k s TYR 36 Ca 0.06 -0.78 -0.18 0.00 -0.52 0.00 0.00 57.07 55.65 2b9k s TYR 36 Cb -0.03 0.04 -0.07 0.00 0.38 0.00 0.00 41.96 42.28 2b9k s TYR 36 CO 0.08 -0.86 1.03 -1.58 -1.52 0.00 0.00 175.55 172.70 2b9k s TRP 37 N -4.01 3.10 0.05 -3.49 0.52 -0.68 -0.62 118.94 113.80 2b9k s TRP 37 Ca 0.22 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.88 2b9k s TRP 37 Cb 0.01 -2.98 -0.03 0.00 -1.15 0.00 0.00 33.47 29.33 2b9k s TRP 37 CO 0.06 -0.79 -0.05 0.08 0.02 0.00 0.00 176.95 176.27 2b9k s VAL 38 N -2.28 0.35 0.10 4.03 1.01 0.00 -1.64 120.40 121.98 2b9k s VAL 38 Ca 0.64 -1.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 2b9k s VAL 38 Cb -0.14 -0.85 0.08 0.00 0.00 0.00 0.00 36.38 35.46 2b9k s VAL 38 CO 0.27 -0.63 0.79 -0.83 0.00 0.00 0.00 175.10 174.71 2b9k s GLY 39 N -2.05 -0.44 -0.24 4.51 0.00 -0.40 -0.82 107.32 107.89 2b9k s GLY 39 Ca -0.05 0.56 -0.10 0.00 0.00 0.00 0.00 44.72 45.13 2b9k s GLY 39 CO -0.03 0.18 0.14 -0.42 0.00 0.00 0.00 173.10 172.97 2b9k s ILE 40 N -3.43 5.18 -0.09 0.90 1.01 -0.23 -1.80 121.20 122.74 2b9k s ILE 40 Ca 0.06 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 2b9k s ILE 40 Cb -0.02 -3.41 0.04 0.00 0.01 0.00 0.00 42.46 39.08 2b9k s ILE 40 CO -0.07 0.35 0.21 -0.47 0.00 0.00 0.00 174.94 174.96 2b9k s TYR 41 N 1.11 -0.27 -0.53 3.97 6.14 -0.55 -1.37 117.35 125.85 2b9k s TYR 41 Ca 0.07 0.68 0.02 0.00 0.64 0.00 0.00 57.07 58.47 2b9k s TYR 41 Cb -0.14 -0.01 0.59 0.00 0.42 0.00 0.00 41.96 42.82 2b9k s TYR 41 CO 0.05 -0.21 1.96 -1.91 0.64 0.00 0.00 175.55 176.07 2b9k n GLU 42 N 4.28 2.41 0.00 4.97 2.13 -0.70 -0.42 120.64 133.32 2b9k n GLU 42 Ca -0.25 -3.12 0.00 0.00 0.66 0.00 0.00 57.16 54.46 2b9k n GLU 42 Cb 0.52 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.01 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 -1.06 0.00 -1.12 6.31 3.14 -1.19 -0.21 118.33 124.20 2b9k n VAL 43 Ca 0.61 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.68 2b9k n VAL 43 Cb 1.30 -0.10 0.11 0.00 -1.06 0.00 0.00 33.84 34.10 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 -1.86 2.26 0.00 1.45 -0.00 -1.26 -4.98 118.94 114.54 2b9k s TRP 44 Ca 0.00 1.63 0.00 0.00 -0.00 0.00 0.00 56.10 57.73 2b9k s TRP 44 Cb 0.00 -3.17 0.00 0.00 -0.00 0.00 0.00 33.47 30.30 2b9k s TRP 44 CO 0.00 -2.14 0.00 -3.47 -0.00 0.00 0.00 176.95 171.34 2b9k n ASP 45 N -3.65 0.00 0.00 5.86 2.03 -1.26 -4.76 116.55 114.77 2b9k n ASP 45 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2b9k n ASP 45 Cb 0.53 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 -2.18 0.00 0.00 -0.67 3.00 -1.26 -4.81 116.66 110.73 2b9k n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2b9k n ARG 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80