#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 0.00 -4.39 0.00 -5.35 -1.26 -4.83 119.36 103.52 2b9k n ILE 2 Ca 0.00 -0.03 -0.20 0.00 -0.27 0.00 0.00 62.75 62.25 2b9k n ILE 2 Cb 0.00 -0.97 -0.10 0.00 -1.74 0.00 0.00 39.64 36.83 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 -4.55 1.48 -0.03 6.28 1.02 0.61 -4.98 119.74 119.58 2b9k s LYS 3 Ca 0.66 -1.76 0.07 0.00 0.02 0.00 0.00 55.97 54.96 2b9k s LYS 3 Cb -0.23 -0.88 -0.01 0.00 -0.52 0.00 0.00 37.83 36.18 2b9k s LYS 3 CO 0.59 -0.06 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.23 2b9k s LEU 4 N -3.39 2.03 0.01 3.17 1.43 -1.26 -1.67 118.68 119.00 2b9k s LEU 4 Ca 0.30 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2b9k s LEU 4 Cb 0.05 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 2b9k s LEU 4 CO 0.11 0.26 0.00 -0.69 0.23 0.00 0.00 176.35 176.26 2b9k s VAL 5 N -0.41 0.08 -0.11 -1.59 1.01 -1.08 -5.02 120.40 113.27 2b9k s VAL 5 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2b9k s VAL 5 Cb -0.10 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.10 2b9k s VAL 5 CO 0.00 -0.38 0.14 -1.10 0.00 0.00 0.00 175.10 173.76 2b9k s GLN 6 N -1.15 0.05 -0.03 2.72 -0.21 -1.26 -1.90 119.66 117.88 2b9k s GLN 6 Ca -0.13 0.35 -0.23 0.00 0.02 0.00 0.00 55.36 55.38 2b9k s GLN 6 Cb -0.08 -0.76 0.05 0.00 1.00 0.00 0.00 33.01 33.21 2b9k s GLN 6 CO -0.00 -0.44 0.49 -1.12 -2.12 0.00 0.00 175.29 172.10 2b9k s SER 7 N 2.25 -0.42 0.36 5.90 0.01 -0.49 -5.00 113.70 116.31 2b9k s SER 7 Ca 0.04 0.38 0.15 0.00 1.31 0.00 0.00 55.95 57.83 2b9k s SER 7 Cb -0.13 0.43 0.68 0.00 0.21 0.00 0.00 66.02 67.20 2b9k s SER 7 CO -0.07 -0.54 1.77 1.55 0.41 0.00 0.00 173.24 176.36 2b9k h PRO 8 N 3.40 0.00 0.00 12.44 0.13 -1.87 -0.39 132.00 145.71 2b9k h PRO 8 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.73 2b9k h PRO 8 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2b9k h PRO 8 CO 0.40 0.41 -0.56 -2.95 -0.23 0.00 0.00 178.00 175.07 2b9k h ASN 9 N 0.00 0.00 -3.79 1.44 7.08 -1.94 -3.40 115.58 114.98 2b9k h ASN 9 Ca -0.00 0.00 -0.25 0.00 -3.08 0.00 0.00 56.30 52.97 2b9k h ASN 9 Cb 0.81 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.03 2b9k h ASN 9 CO 0.05 0.56 -0.31 0.61 -2.08 0.00 0.00 177.43 176.26 2b9k n GLY 10 N 0.18 -0.47 3.59 9.14 0.00 -1.23 -4.85 105.19 111.55 2b9k n GLY 10 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2b9k n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b9k s ASN 11 N -2.03 5.21 -0.08 1.61 2.47 -1.26 -4.93 114.94 115.93 2b9k s ASN 11 Ca 0.00 1.59 -0.29 0.00 0.42 0.00 0.00 52.86 54.57 2b9k s ASN 11 Cb 0.00 -2.51 -0.06 0.00 -1.45 0.00 0.00 41.25 37.23 2b9k s ASN 11 CO 0.00 -2.20 1.77 0.12 -3.72 0.00 0.00 177.10 173.07 2b9k s PHE 12 N 9.24 1.77 -1.26 0.43 5.36 -1.26 -4.90 117.98 127.36 2b9k s PHE 12 Ca 0.97 0.15 0.22 0.00 -0.96 0.00 0.00 56.93 57.31 2b9k s PHE 12 Cb -0.27 -4.01 -0.04 0.00 -0.34 0.00 0.00 43.02 38.36 2b9k s PHE 12 CO 0.32 -4.07 1.04 0.00 -1.46 0.00 0.00 175.22 171.05 2b9k n ALA 13 N 7.92 4.27 -0.13 11.12 0.00 -1.26 -5.02 120.51 137.42 2b9k n ALA 13 Ca 0.19 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2b9k n ALA 13 Cb 0.43 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.13 0.00 -3.66 0.00 0.00 -1.26 -4.69 120.51 109.76 2b9k n ALA 14 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 2b9k n ALA 14 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.76 -0.35 0.32 0.00 1.04 -1.26 -0.84 113.70 111.85 2b9k s SER 15 Ca 0.00 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 2b9k s SER 15 Cb 0.00 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2b9k s SER 15 CO 0.00 -1.05 0.68 0.12 0.98 0.00 0.00 173.24 173.97 2b9k s PHE 16 N -3.64 0.17 -0.02 5.02 5.36 -0.15 -4.95 117.98 119.77 2b9k s PHE 16 Ca 0.07 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.38 2b9k s PHE 16 Cb -0.03 0.58 0.02 0.00 -0.34 0.00 0.00 43.02 43.25 2b9k s PHE 16 CO -0.02 -1.31 -0.02 0.08 -1.46 0.00 0.00 175.22 172.48 2b9k s VAL 17 N -3.22 0.26 -0.09 3.12 1.01 -1.26 -0.79 120.40 119.43 2b9k s VAL 17 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 2b9k s VAL 17 Cb -0.04 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.09 2b9k s VAL 17 CO 0.11 0.13 0.17 -0.22 0.00 0.00 0.00 175.10 175.29 2b9k s LEU 18 N 0.61 -0.02 -1.60 3.92 0.20 -0.19 -4.88 118.68 116.72 2b9k s LEU 18 Ca -0.06 0.37 -0.12 0.00 0.69 0.00 0.00 54.13 55.00 2b9k s LEU 18 Cb -0.09 0.35 0.10 0.00 -0.43 0.00 0.00 46.19 46.12 2b9k s LEU 18 CO -0.01 -0.23 0.68 -0.67 -0.29 0.00 0.00 176.35 175.82 2b9k n ASP 19 N 5.20 -2.44 0.00 3.68 2.03 -1.26 -1.29 116.55 122.46 2b9k n ASP 19 Ca -0.07 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.24 2b9k n ASP 19 Cb 0.50 -2.92 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 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 -1.63 0.62 3.77 0.27 0.00 -1.26 -5.01 105.19 101.95 2b9k n GLY 20 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.66 5.09 0.30 2.61 2.01 -0.41 -5.11 115.64 117.48 2b9k s THR 21 Ca 0.00 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.93 2b9k s THR 21 Cb 0.00 -3.23 -0.08 0.00 0.01 0.00 0.00 72.50 69.20 2b9k s THR 21 CO 0.00 0.56 0.68 -0.75 -0.69 0.00 0.00 174.62 174.43 2b9k s LYS 22 N -0.56 3.91 -0.00 4.92 2.20 -1.26 -1.02 119.74 127.91 2b9k s LYS 22 Ca 0.11 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.25 2b9k s LYS 22 Cb -0.12 -2.49 -0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2b9k s LYS 22 CO 0.02 0.18 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.57 2b9k s TRP 23 N -1.99 0.37 0.08 4.03 0.52 0.03 -4.95 118.94 117.03 2b9k s TRP 23 Ca 0.52 -0.07 -0.17 0.00 0.02 0.00 0.00 56.10 56.39 2b9k s TRP 23 Cb -0.10 -0.24 0.04 0.00 -1.15 0.00 0.00 33.47 32.01 2b9k s TRP 23 CO 0.20 -0.01 0.41 -1.50 0.02 0.00 0.00 176.95 176.07 2b9k s ILE 24 N -0.08 0.06 0.79 2.03 2.07 0.83 -0.97 121.20 125.93 2b9k s ILE 24 Ca 0.01 -0.51 -0.14 0.00 -1.41 0.00 0.00 60.65 58.60 2b9k s ILE 24 Cb -0.02 -1.04 0.06 0.00 0.13 0.00 0.00 42.46 41.59 2b9k s ILE 24 CO -0.00 -0.28 1.12 0.33 -1.91 0.00 0.00 174.94 174.20 2b9k n PHE 25 N 0.21 1.06 0.12 3.50 7.35 -0.02 -1.46 117.46 128.22 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 0.61 -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 -2.80 0.00 -3.69 -4.13 0.00 -1.24 -4.75 118.16 101.55 2b9k n LYS 26 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.30 2b9k n LYS 26 Cb 0.50 -0.05 -0.08 0.00 0.00 0.00 0.00 35.03 35.40 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 -4.99 -0.33 0.01 3.14 0.01 -0.19 -5.02 113.70 106.34 2b9k s SER 27 Ca 0.00 0.27 -0.15 0.00 1.31 0.00 0.00 55.95 57.38 2b9k s SER 27 Cb 0.00 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.63 2b9k s SER 27 CO 0.00 -0.49 0.32 -1.59 0.41 0.00 0.00 173.24 171.88 2b9k s LYS 28 N -1.28 0.75 0.08 12.44 -2.85 -1.26 -1.05 119.74 126.57 2b9k s LYS 28 Ca -0.13 -0.34 -0.17 0.00 -1.00 0.00 0.00 55.97 54.34 2b9k s LYS 28 Cb -0.04 0.33 0.03 0.00 -2.06 0.00 0.00 37.83 36.09 2b9k s LYS 28 CO 0.06 -0.23 0.39 1.52 0.10 0.00 0.00 175.35 177.19 2b9k s TYR 29 N -1.95 -0.21 -0.25 1.78 1.13 -0.15 -4.98 117.35 112.72 2b9k s TYR 29 Ca -0.09 0.03 -0.20 0.00 -1.41 0.00 0.00 57.07 55.39 2b9k s TYR 29 Cb -0.03 0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 41.03 2b9k s TYR 29 CO 0.01 -0.62 0.63 -0.47 -2.51 0.00 0.00 175.55 172.59 2b9k s TYR 30 N -3.13 3.29 -1.24 -3.49 5.04 -1.26 -0.84 117.35 115.71 2b9k s TYR 30 Ca -0.01 0.83 -0.13 0.00 -2.44 0.00 0.00 57.07 55.32 2b9k s TYR 30 Cb 0.01 -2.84 0.16 0.00 0.35 0.00 0.00 41.96 39.63 2b9k s TYR 30 CO -0.07 -0.32 1.59 -3.47 -1.34 0.00 0.00 175.55 171.94 2b9k n ASP 31 N 5.67 5.14 -0.08 4.32 2.03 0.15 -4.86 116.55 128.92 2b9k n ASP 31 Ca -0.00 -3.00 0.25 0.00 0.52 0.00 0.00 54.79 52.55 2b9k n ASP 31 Cb 0.49 -1.57 0.72 0.00 -0.72 0.00 0.00 41.12 40.04 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 6.80 0.00 0.48 1.67 0.02 -1.94 0.12 113.55 120.70 2b9k h SER 32 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2b9k h SER 32 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2b9k h SER 32 CO 1.37 0.00 0.00 0.28 -1.14 0.00 0.00 176.83 177.34 2b9k h SER 33 N 0.00 0.00 0.00 3.07 0.02 -1.95 -3.21 113.55 111.48 2b9k h SER 33 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2b9k h SER 33 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2b9k h SER 33 CO -0.00 0.00 -0.55 0.29 -1.14 0.00 0.00 176.83 175.42 2b9k n LYS 34 N -2.98 2.47 -1.75 3.45 4.76 -0.16 -5.07 118.16 118.89 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 0.18 -0.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 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 1.56 0.91 3.33 0.72 0.00 0.25 -5.08 105.19 106.87 2b9k n GLY 35 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.50 0.20 0.57 1.61 -0.85 -1.23 -4.81 117.35 110.33 2b9k s TYR 36 Ca 0.00 -0.57 -0.16 0.00 -0.52 0.00 0.00 57.07 55.82 2b9k s TYR 36 Cb 0.00 0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.33 2b9k s TYR 36 CO 0.00 -0.70 1.04 -1.58 -1.52 0.00 0.00 175.55 172.79 2b9k s TRP 37 N -3.91 3.12 0.05 -3.49 0.52 -0.16 -0.67 118.94 114.40 2b9k s TRP 37 Ca 0.11 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.74 2b9k s TRP 37 Cb 0.03 -2.95 -0.03 0.00 -1.15 0.00 0.00 33.47 29.37 2b9k s TRP 37 CO -0.05 -0.91 -0.05 0.08 0.02 0.00 0.00 176.95 176.04 2b9k s VAL 38 N -2.50 0.37 0.18 4.03 1.01 -0.02 -1.40 120.40 122.08 2b9k s VAL 38 Ca 0.62 -1.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2b9k s VAL 38 Cb -0.14 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.36 2b9k s VAL 38 CO 0.35 -0.66 0.78 -0.83 0.00 0.00 0.00 175.10 174.75 2b9k s GLY 39 N -2.15 -0.30 -0.26 4.51 0.00 -0.80 -0.98 107.32 107.36 2b9k s GLY 39 Ca -0.03 0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.82 2b9k s GLY 39 CO -0.03 0.05 -0.02 -0.42 0.00 0.00 0.00 173.10 172.68 2b9k s ILE 40 N -3.60 3.24 -0.04 0.90 1.01 -0.21 -2.65 121.20 119.85 2b9k s ILE 40 Ca 0.08 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2b9k s ILE 40 Cb -0.03 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.82 2b9k s ILE 40 CO -0.01 0.19 0.11 -0.47 0.00 0.00 0.00 174.94 174.77 2b9k s TYR 41 N 1.39 -0.12 -0.39 3.97 6.14 -0.67 -1.02 117.35 126.65 2b9k s TYR 41 Ca 0.02 0.30 0.05 0.00 0.64 0.00 0.00 57.07 58.08 2b9k s TYR 41 Cb -0.16 0.04 0.47 0.00 0.42 0.00 0.00 41.96 42.73 2b9k s TYR 41 CO -0.02 -0.06 1.50 -1.91 0.64 0.00 0.00 175.55 175.69 2b9k n GLU 42 N 3.01 2.79 0.00 4.97 2.13 -0.54 -0.28 120.64 132.73 2b9k n GLU 42 Ca -0.12 -3.63 0.00 0.00 0.66 0.00 0.00 57.16 54.07 2b9k n GLU 42 Cb 0.59 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.17 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 -0.90 0.00 -1.07 6.31 3.14 -1.20 -0.12 118.33 124.49 2b9k n VAL 43 Ca 0.45 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.53 2b9k n VAL 43 Cb 0.92 -0.05 0.12 0.00 -1.06 0.00 0.00 33.84 33.78 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 -1.45 2.24 0.00 1.45 -0.00 -1.26 -4.99 118.94 114.92 2b9k s TRP 44 Ca 0.00 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.68 2b9k s TRP 44 Cb 0.00 -3.15 0.00 0.00 -0.00 0.00 0.00 33.47 30.32 2b9k s TRP 44 CO 0.00 -2.21 0.00 -3.47 -0.00 0.00 0.00 176.95 171.27 2b9k n ASP 45 N -3.81 0.00 0.00 5.86 2.03 -1.26 -4.89 116.55 114.48 2b9k n ASP 45 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2b9k n ASP 45 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.54 0.00 0.00 -0.67 1.74 -1.26 -4.86 116.66 110.07 2b9k n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2b9k n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2b9k n ARG 46 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28