#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg n PHE 2 N 0.00 -3.28 -2.78 1.12 3.72 -1.26 -3.34 117.46 111.65 2qbg n PHE 2 Ca 0.00 1.31 -0.33 0.00 -0.05 0.00 0.00 57.45 58.38 2qbg n PHE 2 Cb 0.00 -3.88 -0.06 0.00 -0.94 0.00 0.00 39.48 34.60 2qbg n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qbg s THR 3 N -2.62 4.47 -0.31 4.37 -4.23 -1.24 0.20 115.64 116.27 2qbg s THR 3 Ca 0.20 1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 62.02 2qbg s THR 3 Cb -0.05 -3.63 0.12 0.00 1.34 0.00 0.00 72.50 70.28 2qbg s THR 3 CO 0.78 -0.39 0.21 -0.63 -0.54 0.00 0.00 174.62 174.05 2qbg s ILE 4 N -2.25 -0.13 -0.97 2.99 1.01 0.17 -4.89 121.20 117.14 2qbg s ILE 4 Ca 0.60 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 2qbg s ILE 4 Cb -0.09 -0.98 -0.10 0.00 0.01 0.00 0.00 42.46 41.30 2qbg s ILE 4 CO 0.18 -0.72 2.06 0.54 0.00 0.00 0.00 174.94 177.01 2qbg s ASN 5 N 1.84 4.63 0.47 3.58 4.22 -1.26 -1.16 114.94 127.27 2qbg s ASN 5 Ca 0.12 -0.79 0.05 0.00 -2.14 0.00 0.00 52.86 50.10 2qbg s ASN 5 Cb -0.17 -2.57 -0.02 0.00 1.28 0.00 0.00 41.25 39.77 2qbg s ASN 5 CO -0.23 -3.32 0.14 0.00 -2.04 0.00 0.00 177.10 171.64 2qbg s ALA 6 N 12.19 3.89 -0.08 3.54 0.00 -0.73 -4.22 121.76 136.35 2qbg s ALA 6 Ca 0.76 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 2qbg s ALA 6 Cb -0.06 -0.23 0.10 0.00 0.00 0.00 0.00 23.12 22.92 2qbg s ALA 6 CO 0.07 -0.17 0.85 -1.83 0.00 0.00 0.00 175.76 174.67 2qbg s GLU 7 N -3.95 0.83 0.36 0.00 -1.05 -1.26 -3.89 118.70 109.74 2qbg s GLU 7 Ca 0.27 0.06 -0.28 0.00 -0.15 0.00 0.00 54.97 54.87 2qbg s GLU 7 Cb 0.03 0.39 -0.12 0.00 -0.44 0.00 0.00 34.13 33.99 2qbg s GLU 7 CO 0.15 -0.29 1.44 0.28 0.95 0.00 0.00 175.26 177.79 2qbg n VAL 8 N 0.55 1.88 -2.35 1.83 0.31 -1.26 0.61 118.33 119.90 2qbg n VAL 8 Ca -0.13 -0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 63.40 2qbg n VAL 8 Cb 0.59 -1.84 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 2qbg n VAL 8 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qbg s ARG 9 N -1.84 3.74 0.07 5.55 0.52 -0.67 -4.74 118.95 121.58 2qbg s ARG 9 Ca 0.55 1.12 -0.04 0.00 -0.52 0.00 0.00 55.73 56.85 2qbg s ARG 9 Cb -0.51 -2.10 -0.28 0.00 0.52 0.00 0.00 34.95 32.58 2qbg s ARG 9 CO 0.62 -0.45 1.11 -0.22 0.02 0.00 0.00 175.30 176.37 2qbg h LYS 10 N 0.97 0.26 0.00 3.54 3.64 -1.93 -3.48 116.57 119.56 2qbg h LYS 10 Ca -0.47 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 58.45 2qbg h LYS 10 Cb 1.20 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2qbg h LYS 10 CO 0.60 1.19 -0.02 0.39 -2.27 0.00 0.00 179.45 179.34 2qbg n GLU 11 N -3.51 0.44 -3.71 1.90 1.02 -1.26 -5.19 120.64 110.34 2qbg n GLU 11 Ca -0.09 -0.12 -0.10 0.00 -0.02 0.00 0.00 57.16 56.83 2qbg n GLU 11 Cb 1.02 0.08 -0.03 0.00 -0.02 0.00 0.00 31.44 32.49 2qbg n GLU 11 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2qbg s GLN 12 N -2.05 1.39 0.00 3.49 1.03 -1.26 -4.91 119.66 117.35 2qbg s GLN 12 Ca 0.01 -0.82 0.00 0.00 0.04 0.00 0.00 55.36 54.59 2qbg s GLN 12 Cb 0.00 0.53 0.00 0.00 0.03 0.00 0.00 33.01 33.57 2qbg s GLN 12 CO 0.01 -0.59 0.00 0.41 -2.54 0.00 0.00 175.29 172.57 2qbg n GLY 13 N -0.35 0.89 0.38 2.60 0.00 -1.26 -4.44 105.19 103.01 2qbg n GLY 13 Ca -0.11 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 2qbg n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbg h LYS 14 N 0.00 -0.36 0.00 1.61 3.64 -2.01 -1.14 116.57 118.30 2qbg h LYS 14 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qbg h LYS 14 Cb 0.00 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2qbg h LYS 14 CO 0.00 -0.24 0.00 0.41 -2.27 0.00 0.00 179.45 177.35 2qbg n GLY 15 N -1.42 -3.13 0.44 5.01 0.00 -1.26 -1.15 105.19 103.67 2qbg n GLY 15 Ca -0.02 0.47 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 2qbg n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbg h ALA 16 N -1.55 -0.73 -0.69 4.61 0.00 -1.76 -2.04 119.26 117.10 2qbg h ALA 16 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2qbg h ALA 16 Cb 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 2qbg h ALA 16 CO 0.00 -1.01 -0.50 0.77 0.00 0.00 0.00 179.25 178.52 2qbg h SER 17 N -0.53 -1.74 -0.99 0.00 0.02 -1.12 0.18 113.55 109.37 2qbg h SER 17 Ca 0.06 0.27 0.05 0.00 -0.84 0.00 0.00 61.79 61.33 2qbg h SER 17 Cb 0.65 0.78 -0.06 0.00 0.14 0.00 0.00 62.40 63.91 2qbg h SER 17 CO -0.44 -0.32 0.65 -0.09 -1.14 0.00 0.00 176.83 175.49 2qbg h ARG 18 N -0.18 1.19 -0.47 3.45 9.65 -0.89 -1.27 114.38 125.87 2qbg h ARG 18 Ca 0.17 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.92 2qbg h ARG 18 Cb 0.54 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 2qbg h ARG 18 CO -0.77 0.79 0.06 0.00 2.80 0.00 0.00 179.97 182.86 2qbg h ARG 19 N 1.23 0.73 -0.62 0.20 3.08 -0.35 -2.89 114.38 115.77 2qbg h ARG 19 Ca 0.41 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2qbg h ARG 19 Cb 0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 2qbg h ARG 19 CO -0.14 0.70 0.36 -0.07 -1.07 0.00 0.00 179.97 179.75 2qbg h LEU 20 N 0.70 0.75 -0.51 3.04 3.38 0.45 -1.63 115.31 121.49 2qbg h LEU 20 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qbg h LEU 20 Cb 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2qbg h LEU 20 CO 0.01 0.60 0.00 0.54 0.09 0.00 0.00 178.44 179.68 2qbg n ARG 21 N -4.59 0.12 0.21 1.13 1.74 -0.96 -1.86 116.66 112.45 2qbg n ARG 21 Ca 0.04 0.39 0.07 0.00 -0.77 0.00 0.00 57.85 57.58 2qbg n ARG 21 Cb 0.07 -1.75 0.44 0.00 -1.02 0.00 0.00 32.46 30.20 2qbg n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbg h ALA 22 N 2.31 1.16 -0.51 7.54 0.00 -1.19 -2.77 119.26 125.80 2qbg h ALA 22 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 54.91 54.29 2qbg h ALA 22 Cb 0.29 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 17.81 2qbg h ALA 22 CO 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 179.25 179.35 2qbg n ALA 23 N -2.33 4.71 0.00 0.00 0.00 -0.77 -4.98 120.51 117.13 2qbg n ALA 23 Ca -0.01 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.00 2qbg n ALA 23 Cb 0.41 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2qbg n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbg n ASN 24 N -0.96 0.00 -4.44 0.00 4.13 -1.05 -4.88 115.26 108.06 2qbg n ASN 24 Ca 0.38 0.00 -0.46 0.00 1.68 0.00 0.00 54.58 56.19 2qbg n ASN 24 Cb 0.92 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 39.03 2qbg n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qbg n LYS 25 N 0.00 0.10 -3.80 3.52 5.02 -1.20 -3.91 118.16 117.89 2qbg n LYS 25 Ca 0.00 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 2qbg n LYS 25 Cb 0.00 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.31 2qbg n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qbg s PHE 26 N 8.39 3.58 1.14 2.13 -0.12 -1.00 -3.09 117.98 129.01 2qbg s PHE 26 Ca 1.29 0.54 -0.15 0.00 -0.05 0.00 0.00 56.93 58.56 2qbg s PHE 26 Cb -1.24 -1.96 0.26 0.00 -0.63 0.00 0.00 43.02 39.45 2qbg s PHE 26 CO 0.52 0.64 1.06 -1.25 -0.05 0.00 0.00 175.22 176.14 2qbg s PRO 27 N -1.64 -0.72 0.00 1.99 0.04 -1.25 -3.39 135.00 130.02 2qbg s PRO 27 Ca 0.25 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2qbg s PRO 27 Cb -0.13 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2qbg s PRO 27 CO 0.14 -3.49 0.00 0.00 0.04 0.00 0.00 177.00 173.69 2qbg n ALA 28 N -4.70 0.00 -3.01 8.56 0.00 -0.92 -3.76 120.51 116.69 2qbg n ALA 28 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 2qbg n ALA 28 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 2qbg n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qbg s ILE 29 N -2.00 0.09 -0.50 0.00 -5.25 -1.16 -2.78 121.20 109.60 2qbg s ILE 29 Ca 0.00 -0.71 0.03 0.00 -0.99 0.00 0.00 60.65 58.98 2qbg s ILE 29 Cb 0.00 -0.85 0.14 0.00 2.95 0.00 0.00 42.46 44.70 2qbg s ILE 29 CO 0.00 -0.39 0.29 -0.63 -1.79 0.00 0.00 174.94 172.42 2qbg s ILE 30 N -2.29 1.80 0.35 8.37 1.01 -0.04 -1.37 121.20 129.02 2qbg s ILE 30 Ca -0.07 -3.00 0.08 0.00 0.00 0.00 0.00 60.65 57.65 2qbg s ILE 30 Cb -0.02 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2qbg s ILE 30 CO -0.02 -0.92 0.26 -0.72 0.00 0.00 0.00 174.94 173.54 2qbg s TYR 31 N -0.10 2.83 -0.46 3.97 -0.85 -0.67 -1.56 117.35 120.51 2qbg s TYR 31 Ca 0.20 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 2qbg s TYR 31 Cb -0.19 -1.80 0.00 0.00 0.38 0.00 0.00 41.96 40.35 2qbg s TYR 31 CO -0.04 0.19 0.00 0.41 -1.52 0.00 0.00 175.55 174.59 2qbg n GLY 32 N -1.34 0.34 7.00 5.49 0.00 -1.26 0.11 105.19 115.54 2qbg n GLY 32 Ca -0.02 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2qbg n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbg n GLY 33 N -0.11 2.43 0.15 -0.02 0.00 -1.26 -4.10 105.19 102.28 2qbg n GLY 33 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 2qbg n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbg n LYS 34 N 12.45 0.59 -1.73 1.61 5.02 -1.26 -4.99 118.16 129.85 2qbg n LYS 34 Ca 0.00 0.22 -0.36 0.00 -2.02 0.00 0.00 58.31 56.15 2qbg n LYS 34 Cb 0.00 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.60 2qbg n LYS 34 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2qbg s GLU 35 N -2.50 2.55 0.69 1.97 -1.05 -1.26 -4.99 118.70 114.11 2qbg s GLU 35 Ca -0.37 1.94 -0.14 0.00 -0.15 0.00 0.00 54.97 56.25 2qbg s GLU 35 Cb 0.13 -1.86 0.02 0.00 -0.44 0.00 0.00 34.13 31.97 2qbg s GLU 35 CO 0.51 -1.57 1.12 0.00 0.95 0.00 0.00 175.26 176.27 2qbg s ALA 36 N -1.58 2.38 0.46 -0.84 0.00 -1.26 -4.46 121.76 116.47 2qbg s ALA 36 Ca 0.80 0.54 -0.22 0.00 0.00 0.00 0.00 51.96 53.08 2qbg s ALA 36 Cb -0.34 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.34 2qbg s ALA 36 CO 0.39 -1.44 0.64 -2.30 0.00 0.00 0.00 175.76 173.05 2qbg n PRO 37 N -2.66 0.71 -4.00 0.00 -0.02 -1.26 -4.90 135.00 122.87 2qbg n PRO 37 Ca 0.10 0.26 -0.34 0.00 -2.02 0.00 0.00 63.50 61.51 2qbg n PRO 37 Cb 0.52 -1.67 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 2qbg n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qbg s LEU 38 N 0.96 2.71 -0.52 2.45 2.96 -0.60 -4.92 118.68 121.72 2qbg s LEU 38 Ca 0.65 -0.64 -0.23 0.00 -0.22 0.00 0.00 54.13 53.69 2qbg s LEU 38 Cb -0.55 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.56 2qbg s LEU 38 CO 0.57 -0.05 0.84 0.00 -1.32 0.00 0.00 176.35 176.39 2qbg s ALA 39 N 1.36 3.24 0.26 5.97 0.00 -1.26 -0.86 121.76 130.46 2qbg s ALA 39 Ca 0.04 -1.30 0.11 0.00 0.00 0.00 0.00 51.96 50.81 2qbg s ALA 39 Cb -0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 2qbg s ALA 39 CO -0.07 -2.20 -0.14 0.96 0.00 0.00 0.00 175.76 174.31 2qbg s ILE 40 N 3.51 2.79 -0.58 0.00 -0.00 -1.12 -1.67 121.20 124.13 2qbg s ILE 40 Ca 0.27 -2.18 0.06 0.00 -0.00 0.00 0.00 60.65 58.79 2qbg s ILE 40 Cb -0.14 -2.45 0.22 0.00 -0.00 0.00 0.00 42.46 40.08 2qbg s ILE 40 CO 0.18 -0.35 0.58 -1.84 -0.00 0.00 0.00 174.94 173.52 2qbg n GLU 41 N -0.56 1.66 -1.58 0.37 0.28 0.20 -2.17 120.64 118.83 2qbg n GLU 41 Ca -0.07 -4.14 -0.33 0.00 -0.16 0.00 0.00 57.16 52.47 2qbg n GLU 41 Cb 0.59 -1.98 0.07 0.00 1.43 0.00 0.00 31.44 31.55 2qbg n GLU 41 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2qbg s LEU 42 N -1.60 3.34 0.68 -1.84 2.34 -1.22 -4.41 118.68 115.97 2qbg s LEU 42 Ca 0.34 2.14 -0.15 0.00 0.06 0.00 0.00 54.13 56.52 2qbg s LEU 42 Cb 0.08 -4.57 0.01 0.00 -0.56 0.00 0.00 46.19 41.16 2qbg s LEU 42 CO -0.10 -1.94 1.14 -0.62 -1.06 0.00 0.00 176.35 173.77 2qbg s ASP 43 N -2.38 4.81 0.00 1.48 -1.08 -1.26 -2.39 116.67 115.86 2qbg s ASP 43 Ca 0.70 2.13 0.00 0.00 -0.52 0.00 0.00 52.55 54.86 2qbg s ASP 43 Cb -0.24 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 2qbg s ASP 43 CO 0.44 -1.83 0.00 1.57 0.52 0.00 0.00 175.17 175.86 2qbg n HIS 44 N -2.47 0.00 -0.30 -5.34 -0.00 -1.25 -3.33 115.22 102.52 2qbg n HIS 44 Ca 0.11 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 58.02 2qbg n HIS 44 Cb 0.51 -0.24 0.35 0.00 -0.00 0.00 0.00 29.99 30.61 2qbg n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2qbg n ASP 45 N -1.44 0.03 0.42 0.26 8.00 -1.26 0.12 116.55 122.68 2qbg n ASP 45 Ca 0.00 1.51 -0.17 0.00 0.71 0.00 0.00 54.79 56.85 2qbg n ASP 45 Cb 0.00 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 40.41 2qbg n ASP 45 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qbg h LYS 46 N 0.00 -1.04 -0.52 -1.24 6.56 -2.00 -2.72 116.57 115.62 2qbg h LYS 46 Ca 0.62 0.07 -0.05 0.00 -1.06 0.00 0.00 60.65 60.23 2qbg h LYS 46 Cb 1.42 0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 33.29 2qbg h LYS 46 CO -0.79 -0.69 0.13 0.28 -2.06 0.00 0.00 179.45 176.31 2qbg h VAL 47 N -1.16 1.22 -0.63 0.50 2.07 -0.99 -2.89 116.25 114.37 2qbg h VAL 47 Ca -0.11 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.69 2qbg h VAL 47 Cb 0.83 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2qbg h VAL 47 CO 0.18 0.29 0.31 -0.03 0.02 0.00 0.00 177.57 178.34 2qbg h MET 48 N 0.76 0.55 0.00 1.57 1.85 0.91 -1.06 114.93 119.51 2qbg h MET 48 Ca 0.17 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.18 2qbg h MET 48 Cb 0.28 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 2qbg h MET 48 CO -0.00 0.36 -0.21 -0.91 -0.40 0.00 0.00 176.91 175.75 2qbg h ASN 49 N 0.57 0.00 0.20 1.39 2.35 -1.32 -3.26 115.58 115.50 2qbg h ASN 49 Ca 0.29 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2qbg h ASN 49 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2qbg h ASN 49 CO -0.22 0.21 -0.10 0.24 -1.65 0.00 0.00 177.43 175.91 2qbg h MET 50 N 0.00 -0.26 0.00 0.81 2.86 -1.02 -2.97 114.93 114.35 2qbg h MET 50 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qbg h MET 50 Cb 0.83 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2qbg h MET 50 CO 0.03 0.13 0.10 0.00 1.06 0.00 0.00 176.91 178.22 2qbg n GLN 51 N -5.01 0.09 -0.09 1.72 -0.00 -0.81 -2.21 117.38 111.08 2qbg n GLN 51 Ca -0.09 0.57 -0.06 0.00 -0.00 0.00 0.00 57.00 57.42 2qbg n GLN 51 Cb 0.26 -1.91 0.01 0.00 -0.00 0.00 0.00 30.24 28.60 2qbg n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qbg h ALA 52 N 1.71 0.30 -2.06 2.61 0.00 -1.57 -3.39 119.26 116.86 2qbg h ALA 52 Ca 0.00 0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.43 2qbg h ALA 52 Cb 0.20 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2qbg h ALA 52 CO 0.00 -0.39 1.04 0.21 0.00 0.00 0.00 179.25 180.11 2qbg s LYS 53 N -6.18 3.95 0.51 0.00 2.36 -0.94 -4.87 119.74 114.57 2qbg s LYS 53 Ca -0.13 1.60 0.37 0.00 -2.55 0.00 0.00 55.97 55.26 2qbg s LYS 53 Cb 0.12 -3.93 1.53 0.00 -1.05 0.00 0.00 37.83 34.50 2qbg s LYS 53 CO 0.70 -1.08 1.71 0.00 1.55 0.00 0.00 175.35 178.22 2qbg h ALA 54 N 9.71 3.16 0.00 3.13 0.00 -1.89 0.88 119.26 134.26 2qbg h ALA 54 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qbg h ALA 54 Cb 1.13 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qbg h ALA 54 CO 1.00 -1.62 0.00 0.39 0.00 0.00 0.00 179.25 179.02 2qbg n GLU 55 N -4.25 0.17 -0.26 0.00 4.71 -1.26 -2.73 120.64 117.02 2qbg n GLU 55 Ca 0.33 0.53 0.00 0.00 -0.01 0.00 0.00 57.16 58.01 2qbg n GLU 55 Cb 1.45 -1.92 0.13 0.00 -1.01 0.00 0.00 31.44 30.09 2qbg n GLU 55 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2qbg h PHE 56 N 0.00 0.76 -0.28 -0.32 3.57 0.53 0.47 116.94 121.68 2qbg h PHE 56 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qbg h PHE 56 Cb 0.19 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2qbg h PHE 56 CO 0.00 0.35 0.00 0.66 -2.23 0.00 0.00 178.31 177.09 2qbg n TYR 57 N -4.76 0.40 0.00 0.41 4.02 -1.11 -4.43 117.16 111.69 2qbg n TYR 57 Ca 0.11 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 2qbg n TYR 57 Cb 0.21 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2qbg n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qbg n SER 58 N 0.31 0.00 -4.73 7.72 7.64 0.04 -4.90 113.62 119.71 2qbg n SER 58 Ca 0.09 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.65 2qbg n SER 58 Cb 0.26 -0.12 0.10 0.00 -1.01 0.00 0.00 64.21 63.44 2qbg n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qbg s GLU 59 N -0.63 2.01 0.69 1.43 -6.30 -0.53 -4.96 118.70 110.42 2qbg s GLU 59 Ca 0.00 1.57 -0.17 0.00 -2.50 0.00 0.00 54.97 53.87 2qbg s GLU 59 Cb 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 34.13 32.30 2qbg s GLU 59 CO 0.00 -1.89 1.16 0.28 0.02 0.00 0.00 175.26 174.83 2qbg n VAL 60 N -3.12 3.76 -4.30 3.70 0.31 -1.26 -4.86 118.33 112.55 2qbg n VAL 60 Ca 0.12 -0.41 -0.27 0.00 -0.01 0.00 0.00 64.34 63.76 2qbg n VAL 60 Cb 0.51 -1.30 -0.10 0.00 -0.91 0.00 0.00 33.84 32.04 2qbg n VAL 60 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2qbg s LEU 61 N -4.06 2.87 -0.20 7.52 1.43 -0.84 -4.65 118.68 120.76 2qbg s LEU 61 Ca 0.78 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2qbg s LEU 61 Cb -0.36 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.32 2qbg s LEU 61 CO 0.45 0.12 -0.06 0.42 0.23 0.00 0.00 176.35 177.51 2qbg s THR 62 N -1.59 1.35 -0.22 5.49 -4.23 0.13 -1.20 115.64 115.37 2qbg s THR 62 Ca 0.23 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.79 2qbg s THR 62 Cb -0.09 -1.54 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 2qbg s THR 62 CO 0.14 0.05 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.62 2qbg s ILE 63 N 1.51 3.58 -0.30 2.99 1.09 -1.26 0.45 121.20 129.25 2qbg s ILE 63 Ca -0.02 -0.43 -0.10 0.00 -1.10 0.00 0.00 60.65 59.00 2qbg s ILE 63 Cb -0.17 -2.63 -0.02 0.00 -1.06 0.00 0.00 42.46 38.58 2qbg s ILE 63 CO -0.07 0.41 0.17 -0.69 -0.10 0.00 0.00 174.94 174.66 2qbg s VAL 64 N 1.42 4.86 0.04 2.92 1.01 -0.31 -2.28 120.40 128.06 2qbg s VAL 64 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2qbg s VAL 64 Cb -0.14 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2qbg s VAL 64 CO -0.01 0.12 -0.09 0.68 0.00 0.00 0.00 175.10 175.79 2qbg s VAL 65 N 1.67 0.68 0.00 2.92 -7.23 -0.38 -1.77 120.40 116.29 2qbg s VAL 65 Ca 0.06 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2qbg s VAL 65 Cb -0.17 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.09 2qbg s VAL 65 CO 0.08 -0.22 0.00 -0.67 -0.31 0.00 0.00 175.10 173.98 2qbg n ASP 66 N 1.75 0.00 0.00 4.85 -0.08 -1.26 -2.46 116.55 119.35 2qbg n ASP 66 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 2qbg n ASP 66 Cb 0.55 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.76 2qbg n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qbg n GLY 67 N -0.75 2.48 0.00 0.27 0.00 -1.26 -5.13 105.19 100.80 2qbg n GLY 67 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2qbg n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbg n LYS 68 N 0.00 0.61 -3.79 1.61 2.85 -1.03 -5.02 118.16 113.39 2qbg n LYS 68 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2qbg n LYS 68 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 2qbg n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2qbg s GLU 69 N -1.59 0.58 -0.07 -1.58 1.03 -1.26 -1.25 118.70 114.55 2qbg s GLU 69 Ca 0.00 -0.17 0.15 0.00 0.03 0.00 0.00 54.97 54.98 2qbg s GLU 69 Cb 0.00 0.25 -0.23 0.00 -0.80 0.00 0.00 34.13 33.36 2qbg s GLU 69 CO 0.00 -0.15 0.24 0.44 -1.33 0.00 0.00 175.26 174.46 2qbg n ILE 70 N 1.54 0.42 -2.97 1.83 -0.00 -0.97 -5.00 119.36 114.21 2qbg n ILE 70 Ca -0.21 -0.49 -0.01 0.00 -0.00 0.00 0.00 62.75 62.05 2qbg n ILE 70 Cb 0.56 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.64 40.03 2qbg n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qbg n LYS 71 N -2.27 -1.87 -4.39 6.28 5.02 -1.26 -4.74 118.16 114.92 2qbg n LYS 71 Ca -0.12 1.73 -0.21 0.00 -2.02 0.00 0.00 58.31 57.69 2qbg n LYS 71 Cb 0.66 -2.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.04 2qbg n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qbg s VAL 72 N -0.86 0.44 0.48 -0.18 -7.23 -0.34 -4.18 120.40 108.54 2qbg s VAL 72 Ca -0.04 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 2qbg s VAL 72 Cb 0.00 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.47 2qbg s VAL 72 CO 0.29 0.00 0.70 -0.54 -0.31 0.00 0.00 175.10 175.25 2qbg s LYS 73 N -3.76 2.90 -0.21 4.82 1.02 -1.04 -1.98 119.74 121.49 2qbg s LYS 73 Ca 0.33 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 2qbg s LYS 73 Cb 0.04 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 2qbg s LYS 73 CO 0.17 -0.41 0.14 0.00 -0.92 0.00 0.00 175.35 174.33 2qbg s ALA 74 N -2.62 3.67 0.00 5.17 0.00 -1.26 -1.12 121.76 125.60 2qbg s ALA 74 Ca 0.51 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2qbg s ALA 74 Cb -0.10 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2qbg s ALA 74 CO 0.38 0.08 0.00 1.04 0.00 0.00 0.00 175.76 177.26 2qbg n GLN 75 N 3.69 0.00 -4.58 0.00 1.13 0.29 -4.86 117.38 113.03 2qbg n GLN 75 Ca -0.16 0.10 -0.28 0.00 -1.94 0.00 0.00 57.00 54.72 2qbg n GLN 75 Cb 0.52 -0.44 -0.08 0.00 0.11 0.00 0.00 30.24 30.35 2qbg n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qbg s ASP 76 N -2.21 3.19 -0.21 1.08 3.68 -1.20 -4.95 116.67 116.06 2qbg s ASP 76 Ca 0.00 -1.73 -0.14 0.00 2.13 0.00 0.00 52.55 52.82 2qbg s ASP 76 Cb 0.00 0.62 0.06 0.00 -1.45 0.00 0.00 42.92 42.15 2qbg s ASP 76 CO 0.00 -0.97 0.53 0.54 0.13 0.00 0.00 175.17 175.39 2qbg s VAL 77 N -3.11 -0.01 -0.83 1.11 0.11 -1.26 -0.17 120.40 116.24 2qbg s VAL 77 Ca 0.17 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 2qbg s VAL 77 Cb 0.01 -0.77 0.22 0.00 -1.53 0.00 0.00 36.38 34.31 2qbg s VAL 77 CO 0.12 0.02 0.76 -1.10 -3.33 0.00 0.00 175.10 171.56 2qbg s GLN 78 N 1.18 3.52 0.61 1.54 -0.21 0.88 -4.96 119.66 122.22 2qbg s GLN 78 Ca -0.07 -2.57 -0.15 0.00 0.02 0.00 0.00 55.36 52.59 2qbg s GLN 78 Cb -0.06 -4.33 -0.03 0.00 1.00 0.00 0.00 33.01 29.58 2qbg s GLN 78 CO -0.11 -1.27 1.05 -0.98 -2.12 0.00 0.00 175.29 171.86 2qbg s ARG 79 N -0.06 3.31 0.50 2.91 1.70 -1.26 0.27 118.95 126.32 2qbg s ARG 79 Ca 0.19 1.10 -0.23 0.00 -0.47 0.00 0.00 55.73 56.32 2qbg s ARG 79 Cb -0.11 -2.04 -0.06 0.00 -0.57 0.00 0.00 34.95 32.17 2qbg s ARG 79 CO -0.08 -0.81 1.39 -1.58 -1.08 0.00 0.00 175.30 173.14 2qbg s HIS 80 N -2.63 2.36 0.25 5.89 5.65 0.24 -4.74 115.29 122.32 2qbg s HIS 80 Ca 0.61 1.32 -0.03 0.00 0.25 0.00 0.00 55.06 57.22 2qbg s HIS 80 Cb -0.15 -3.86 0.49 0.00 -1.18 0.00 0.00 32.58 27.89 2qbg s HIS 80 CO 0.41 -2.92 1.73 -1.35 -0.65 0.00 0.00 174.74 171.96 2qbg h PRO 81 N 1.86 0.46 0.00 2.88 0.11 -1.94 -3.37 132.00 132.00 2qbg h PRO 81 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2qbg h PRO 81 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qbg h PRO 81 CO 0.59 0.31 0.00 2.48 -0.21 0.00 0.00 178.00 181.17 2qbg n TYR 82 N -4.98 0.00 -4.23 0.65 0.18 -1.26 -5.09 117.16 102.43 2qbg n TYR 82 Ca 0.15 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.59 2qbg n TYR 82 Cb 0.44 0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 39.30 2qbg n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qbg s LYS 83 N 0.00 3.59 -0.92 -3.48 1.02 -1.26 -5.01 119.74 113.68 2qbg s LYS 83 Ca 0.00 -0.41 -0.25 0.00 0.02 0.00 0.00 55.97 55.33 2qbg s LYS 83 Cb 0.00 -3.00 -0.23 0.00 -0.52 0.00 0.00 37.83 34.08 2qbg s LYS 83 CO 0.00 0.40 1.99 -2.30 -0.92 0.00 0.00 175.35 174.53 2qbg n PRO 84 N 3.08 0.08 -3.54 -1.68 -0.02 -1.26 -4.16 135.00 127.50 2qbg n PRO 84 Ca -0.17 -1.53 -0.07 0.00 -2.02 0.00 0.00 63.50 59.71 2qbg n PRO 84 Cb 0.53 -3.63 -0.02 0.00 -0.02 0.00 0.00 33.50 30.36 2qbg n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbg s LYS 85 N 8.18 0.62 0.11 -0.52 -2.85 -1.26 -5.05 119.74 118.97 2qbg s LYS 85 Ca 0.75 -0.19 -0.04 0.00 -1.00 0.00 0.00 55.97 55.49 2qbg s LYS 85 Cb -0.03 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 2qbg s LYS 85 CO 0.19 -0.26 0.32 -0.51 0.10 0.00 0.00 175.35 175.18 2qbg s LEU 86 N -2.22 4.30 -0.09 2.77 1.43 -1.26 0.83 118.68 124.44 2qbg s LEU 86 Ca 0.06 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2qbg s LEU 86 Cb -0.01 -3.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.98 2qbg s LEU 86 CO -0.07 0.10 -0.04 0.00 0.23 0.00 0.00 176.35 176.58 2qbg n GLN 87 N 0.24 1.25 -3.55 1.70 6.02 0.14 -4.78 117.38 118.41 2qbg n GLN 87 Ca -0.04 0.03 -0.16 0.00 -0.01 0.00 0.00 57.00 56.82 2qbg n GLN 87 Cb 0.52 -1.19 -0.06 0.00 1.02 0.00 0.00 30.24 30.53 2qbg n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qbg s HIS 88 N -2.18 -0.64 0.02 1.08 5.04 -1.04 -3.90 115.29 113.66 2qbg s HIS 88 Ca -0.09 1.19 0.01 0.00 -1.54 0.00 0.00 55.06 54.63 2qbg s HIS 88 Cb 0.03 0.39 -0.02 0.00 0.04 0.00 0.00 32.58 33.02 2qbg s HIS 88 CO 0.25 -0.53 -0.03 0.96 -2.34 0.00 0.00 174.74 173.04 2qbg s ILE 89 N -0.91 0.19 -0.16 0.89 -5.25 -1.25 0.30 121.20 115.02 2qbg s ILE 89 Ca -0.08 -0.74 -0.04 0.00 -0.99 0.00 0.00 60.65 58.80 2qbg s ILE 89 Cb -0.01 -0.29 -0.03 0.00 2.95 0.00 0.00 42.46 45.09 2qbg s ILE 89 CO 0.07 -0.35 -0.03 -1.81 -1.79 0.00 0.00 174.94 171.04 2qbg s ASP 90 N -1.14 4.87 -0.16 4.36 1.11 0.76 -2.97 116.67 123.50 2qbg s ASP 90 Ca -0.11 -0.12 0.02 0.00 0.18 0.00 0.00 52.55 52.52 2qbg s ASP 90 Cb -0.08 -1.80 0.02 0.00 1.07 0.00 0.00 42.92 42.13 2qbg s ASP 90 CO -0.01 0.16 -0.20 -0.36 1.18 0.00 0.00 175.17 175.95 2qbg s PHE 91 N 0.39 2.66 -0.16 4.23 2.99 -0.47 0.10 117.98 127.72 2qbg s PHE 91 Ca -0.03 -1.48 -0.17 0.00 0.00 0.00 0.00 56.93 55.25 2qbg s PHE 91 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 43.02 41.01 2qbg s PHE 91 CO 0.03 -0.71 0.44 0.08 -0.00 0.00 0.00 175.22 175.05 2qbg s VAL 92 N 1.13 5.20 -0.37 -0.44 1.01 -0.27 -1.67 120.40 124.98 2qbg s VAL 92 Ca 0.00 0.83 -0.38 0.00 0.00 0.00 0.00 61.98 62.44 2qbg s VAL 92 Cb -0.14 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 2qbg s VAL 92 CO -0.08 0.29 2.13 0.54 0.00 0.00 0.00 175.10 177.98 2qbg n ARG 93 N 4.04 0.86 0.00 2.72 5.12 0.31 -2.51 116.66 127.20 2qbg n ARG 93 Ca -0.08 0.24 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2qbg n ARG 93 Cb 0.51 -2.22 0.00 0.00 -1.16 0.00 0.00 32.46 29.59 2qbg n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70