#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n PHE 2 N 0.00 -2.61 -2.05 1.12 3.72 -1.26 -3.08 117.46 113.29 2qbi n PHE 2 Ca 0.00 1.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.97 2qbi n PHE 2 Cb 0.00 -3.79 -0.03 0.00 -0.94 0.00 0.00 39.48 34.72 2qbi n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qbi s THR 3 N -3.00 3.54 -0.81 4.37 -4.23 -1.26 -1.10 115.64 113.15 2qbi s THR 3 Ca 0.00 0.55 0.02 0.00 -1.18 0.00 0.00 61.69 61.08 2qbi s THR 3 Cb -0.00 -3.72 0.31 0.00 1.34 0.00 0.00 72.50 70.43 2qbi s THR 3 CO 0.66 -0.45 1.29 -0.38 -0.54 0.00 0.00 174.62 175.19 2qbi n ILE 4 N 7.35 4.31 -1.61 2.99 5.41 0.25 -4.92 119.36 133.14 2qbi n ILE 4 Ca 0.22 -5.72 -0.41 0.00 1.00 0.00 0.00 62.75 57.84 2qbi n ILE 4 Cb 0.47 -1.66 0.01 0.00 -0.71 0.00 0.00 39.64 37.75 2qbi n ILE 4 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2qbi n ASN 5 N 0.22 1.20 0.00 4.38 6.94 -1.25 -2.10 115.26 124.64 2qbi n ASN 5 Ca 0.35 1.01 0.00 0.00 -0.02 0.00 0.00 54.58 55.93 2qbi n ASN 5 Cb 0.34 -1.35 0.00 0.00 -2.36 0.00 0.00 39.78 36.41 2qbi n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qbi n ALA 6 N -0.60 0.00 -3.39 -2.53 0.00 0.91 -4.55 120.51 110.36 2qbi n ALA 6 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 2qbi n ALA 6 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 2qbi n ALA 6 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qbi n GLU 7 N 0.00 0.16 -3.57 0.00 0.28 -1.26 -4.56 120.64 111.70 2qbi n GLU 7 Ca 0.00 -0.45 -0.37 0.00 -0.16 0.00 0.00 57.16 56.18 2qbi n GLU 7 Cb 0.00 0.66 -0.06 0.00 1.43 0.00 0.00 31.44 33.47 2qbi n GLU 7 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2qbi s VAL 8 N -2.23 5.11 0.04 3.84 1.01 -1.26 -2.01 120.40 124.90 2qbi s VAL 8 Ca 0.11 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 2qbi s VAL 8 Cb -0.01 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2qbi s VAL 8 CO 0.01 0.55 1.62 -0.13 0.00 0.00 0.00 175.10 177.15 2qbi s ARG 9 N -1.19 4.21 0.18 2.72 1.81 0.60 -4.77 118.95 122.51 2qbi s ARG 9 Ca 0.24 2.27 -0.04 0.00 -1.72 0.00 0.00 55.73 56.47 2qbi s ARG 9 Cb -0.16 -3.66 0.07 0.00 -0.45 0.00 0.00 34.95 30.76 2qbi s ARG 9 CO 0.13 -0.73 1.48 -0.22 -0.68 0.00 0.00 175.30 175.28 2qbi h LYS 10 N 8.47 0.60 0.00 3.54 3.64 -1.97 -3.47 116.57 127.38 2qbi h LYS 10 Ca -0.42 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 2qbi h LYS 10 Cb 1.20 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2qbi h LYS 10 CO 0.93 1.00 0.00 0.39 -2.27 0.00 0.00 179.45 179.50 2qbi n GLU 11 N -3.96 0.86 -3.54 1.90 1.02 -1.26 -5.19 120.64 110.47 2qbi n GLU 11 Ca -0.03 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.12 2qbi n GLU 11 Cb 0.62 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.05 2qbi n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qbi n GLN 12 N 0.00 0.23 0.00 3.49 -0.00 -1.26 -4.96 117.38 114.88 2qbi n GLN 12 Ca 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 57.00 56.25 2qbi n GLN 12 Cb 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 30.24 31.41 2qbi n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qbi n GLY 13 N -0.71 -1.52 0.39 2.61 0.00 -1.26 -3.70 105.19 101.01 2qbi n GLY 13 Ca 0.02 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 2qbi n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbi h LYS 14 N 0.00 -0.42 -0.10 1.61 3.64 -2.02 -0.50 116.57 118.78 2qbi h LYS 14 Ca 0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2qbi h LYS 14 Cb 0.00 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2qbi h LYS 14 CO 0.00 -0.28 -0.16 0.78 -2.27 0.00 0.00 179.45 177.53 2qbi h GLY 15 N -0.43 -1.65 0.38 5.01 0.00 -2.00 -0.00 103.07 104.38 2qbi h GLY 15 Ca 0.10 0.78 -0.00 0.00 0.00 0.00 0.00 47.33 48.21 2qbi h GLY 15 CO -0.45 -0.55 -0.52 0.00 0.00 0.00 0.00 176.54 175.02 2qbi h ALA 16 N -0.97 -1.09 -0.35 3.60 0.00 -1.61 -2.38 119.26 116.46 2qbi h ALA 16 Ca 0.02 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qbi h ALA 16 Cb 0.17 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2qbi h ALA 16 CO -0.16 -1.17 -0.51 0.77 0.00 0.00 0.00 179.25 178.18 2qbi h SER 17 N -0.92 -1.70 -0.96 0.00 0.02 -0.99 -0.80 113.55 108.19 2qbi h SER 17 Ca -0.04 0.22 0.18 0.00 -0.84 0.00 0.00 61.79 61.31 2qbi h SER 17 Cb 0.84 0.69 -0.11 0.00 0.14 0.00 0.00 62.40 63.96 2qbi h SER 17 CO -0.14 -0.38 0.55 -0.09 -1.14 0.00 0.00 176.83 175.63 2qbi h ARG 18 N -0.38 0.68 -0.75 3.45 9.65 -0.97 0.11 114.38 126.16 2qbi h ARG 18 Ca 0.06 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.94 2qbi h ARG 18 Cb 0.55 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.93 2qbi h ARG 18 CO -0.53 0.45 0.47 0.00 2.80 0.00 0.00 179.97 183.16 2qbi h ARG 19 N 0.70 0.88 -0.58 0.20 3.08 -0.63 -2.70 114.38 115.32 2qbi h ARG 19 Ca 0.55 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.58 2qbi h ARG 19 Cb 0.87 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 2qbi h ARG 19 CO -0.39 0.58 0.36 -0.07 -1.07 0.00 0.00 179.97 179.37 2qbi h LEU 20 N 0.90 0.58 -2.27 3.04 3.38 0.10 -1.72 115.31 119.32 2qbi h LEU 20 Ca 0.31 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.32 2qbi h LEU 20 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2qbi h LEU 20 CO -0.12 0.41 0.15 0.03 0.09 0.00 0.00 178.44 179.00 2qbi h ARG 21 N 0.71 0.00 0.00 1.13 3.08 -1.15 0.53 114.38 118.68 2qbi h ARG 21 Ca 0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2qbi h ARG 21 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2qbi h ARG 21 CO -0.09 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.79 2qbi h ALA 22 N 1.83 1.01 -0.21 0.04 0.00 -1.26 -2.27 119.26 118.39 2qbi h ALA 22 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2qbi h ALA 22 Cb 0.37 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2qbi h ALA 22 CO -0.00 0.02 -0.30 0.00 0.00 0.00 0.00 179.25 178.97 2qbi n ALA 23 N -2.10 4.07 0.00 0.00 0.00 0.18 -5.00 120.51 117.67 2qbi n ALA 23 Ca -0.00 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.18 2qbi n ALA 23 Cb 0.27 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2qbi n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbi n ASN 24 N -1.11 0.00 -4.38 0.00 4.13 -0.86 -4.84 115.26 108.20 2qbi n ASN 24 Ca 0.27 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.28 2qbi n ASN 24 Cb 0.87 0.00 -0.21 0.00 -1.54 0.00 0.00 39.78 38.90 2qbi n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qbi n LYS 25 N 0.00 0.00 -3.20 3.52 5.02 -1.23 -3.77 118.16 118.50 2qbi n LYS 25 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2qbi n LYS 25 Cb 0.00 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 2qbi n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qbi s PHE 26 N 1.70 3.76 1.03 2.13 -0.12 -0.74 -3.85 117.98 121.89 2qbi s PHE 26 Ca 1.29 1.29 -0.12 0.00 -0.05 0.00 0.00 56.93 59.34 2qbi s PHE 26 Cb -0.90 -2.59 0.21 0.00 -0.63 0.00 0.00 43.02 39.10 2qbi s PHE 26 CO 0.54 0.46 1.07 -1.25 -0.05 0.00 0.00 175.22 175.99 2qbi s PRO 27 N -0.64 0.15 0.00 1.99 0.04 -1.25 -3.44 135.00 131.85 2qbi s PRO 27 Ca 0.31 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2qbi s PRO 27 Cb -0.19 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2qbi s PRO 27 CO 0.19 -3.00 0.00 0.00 0.04 0.00 0.00 177.00 174.23 2qbi n ALA 28 N -4.40 0.00 -3.18 8.56 0.00 -1.12 -3.81 120.51 116.55 2qbi n ALA 28 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 2qbi n ALA 28 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 2qbi n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qbi s ILE 29 N -2.22 0.04 -0.21 0.00 -5.25 -1.16 -3.45 121.20 108.95 2qbi s ILE 29 Ca 0.00 -0.51 -0.03 0.00 -0.99 0.00 0.00 60.65 59.12 2qbi s ILE 29 Cb 0.00 -1.25 0.07 0.00 2.95 0.00 0.00 42.46 44.23 2qbi s ILE 29 CO 0.00 -0.19 0.07 -0.63 -1.79 0.00 0.00 174.94 172.40 2qbi s ILE 30 N -3.81 0.31 0.36 8.37 1.01 -1.04 -1.16 121.20 125.24 2qbi s ILE 30 Ca 0.04 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.17 2qbi s ILE 30 Cb 0.00 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2qbi s ILE 30 CO -0.09 -0.34 0.10 -0.72 0.00 0.00 0.00 174.94 173.89 2qbi s TYR 31 N 1.94 1.80 0.00 3.97 -0.85 -0.56 -1.24 117.35 122.41 2qbi s TYR 31 Ca 0.02 -1.17 0.00 0.00 -0.52 0.00 0.00 57.07 55.40 2qbi s TYR 31 Cb -0.17 -1.15 0.00 0.00 0.38 0.00 0.00 41.96 41.02 2qbi s TYR 31 CO -0.14 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 174.09 2qbi n GLY 32 N -0.76 0.47 0.00 5.49 0.00 -1.26 -2.60 105.19 106.53 2qbi n GLY 32 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2qbi n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 33 N 0.62 0.51 0.08 -0.02 0.00 -1.26 -4.03 105.19 101.09 2qbi n GLY 33 Ca 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 2qbi n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbi h LYS 34 N 0.00 0.00 -7.30 1.61 1.57 -1.99 -3.47 116.57 106.98 2qbi h LYS 34 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2qbi h LYS 34 Cb 0.00 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.46 2qbi h LYS 34 CO 0.00 0.64 0.28 -1.83 -0.57 0.00 0.00 179.45 177.96 2qbi s GLU 35 N -2.14 1.71 0.50 3.15 -1.05 -1.26 -5.03 118.70 114.58 2qbi s GLU 35 Ca -0.18 1.24 -0.09 0.00 -0.15 0.00 0.00 54.97 55.79 2qbi s GLU 35 Cb 0.01 -1.83 -0.05 0.00 -0.44 0.00 0.00 34.13 31.82 2qbi s GLU 35 CO 0.45 -2.05 0.86 0.00 0.95 0.00 0.00 175.26 175.47 2qbi s ALA 36 N -2.82 3.28 -0.21 -0.84 0.00 -1.26 -4.65 121.76 115.27 2qbi s ALA 36 Ca 0.63 -0.27 -0.39 0.00 0.00 0.00 0.00 51.96 51.94 2qbi s ALA 36 Cb -0.19 -2.79 -0.15 0.00 0.00 0.00 0.00 23.12 19.99 2qbi s ALA 36 CO 0.57 -0.34 1.71 -2.30 0.00 0.00 0.00 175.76 175.39 2qbi n PRO 37 N -2.09 1.27 -2.96 0.00 -0.02 -1.25 -4.89 135.00 125.07 2qbi n PRO 37 Ca 0.03 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 2qbi n PRO 37 Cb 0.54 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 2qbi n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qbi s LEU 38 N 3.17 4.13 -0.90 2.45 2.96 -0.38 -4.84 118.68 125.28 2qbi s LEU 38 Ca 0.96 1.02 -0.22 0.00 -0.22 0.00 0.00 54.13 55.66 2qbi s LEU 38 Cb -1.01 -3.11 0.07 0.00 0.50 0.00 0.00 46.19 42.64 2qbi s LEU 38 CO 0.61 -0.41 1.27 0.00 -1.32 0.00 0.00 176.35 176.51 2qbi s ALA 39 N 2.35 2.95 0.48 5.97 0.00 -1.26 -2.49 121.76 129.76 2qbi s ALA 39 Ca 0.34 -2.19 0.08 0.00 0.00 0.00 0.00 51.96 50.19 2qbi s ALA 39 Cb -0.16 -4.27 0.04 0.00 0.00 0.00 0.00 23.12 18.73 2qbi s ALA 39 CO 0.10 -3.28 0.62 0.96 0.00 0.00 0.00 175.76 174.16 2qbi s ILE 40 N 4.37 2.60 -0.45 0.00 -0.00 -1.22 0.22 121.20 126.72 2qbi s ILE 40 Ca 0.37 -1.05 0.07 0.00 -0.00 0.00 0.00 60.65 60.04 2qbi s ILE 40 Cb -0.05 -2.66 0.22 0.00 -0.00 0.00 0.00 42.46 39.98 2qbi s ILE 40 CO -0.03 0.00 0.65 -1.84 -0.00 0.00 0.00 174.94 173.72 2qbi n GLU 41 N -1.96 0.62 -1.60 0.37 0.28 -0.85 -2.78 120.64 114.72 2qbi n GLU 41 Ca 0.10 -2.51 -0.33 0.00 -0.16 0.00 0.00 57.16 54.26 2qbi n GLU 41 Cb 0.60 -1.42 0.07 0.00 1.43 0.00 0.00 31.44 32.13 2qbi n GLU 41 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2qbi s LEU 42 N -0.48 3.34 0.77 -1.84 2.34 -1.22 -4.41 118.68 117.18 2qbi s LEU 42 Ca 0.33 2.13 -0.11 0.00 0.06 0.00 0.00 54.13 56.54 2qbi s LEU 42 Cb 0.14 -4.56 0.06 0.00 -0.56 0.00 0.00 46.19 41.26 2qbi s LEU 42 CO -0.16 -1.91 1.09 -0.62 -1.06 0.00 0.00 176.35 173.69 2qbi s ASP 43 N -2.41 4.49 0.00 1.48 -1.08 -1.26 -1.80 116.67 116.09 2qbi s ASP 43 Ca 0.69 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 54.57 2qbi s ASP 43 Cb -0.23 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 2qbi s ASP 43 CO 0.44 -2.05 0.00 1.57 0.52 0.00 0.00 175.17 175.65 2qbi n HIS 44 N -3.48 0.00 -0.14 -5.34 -0.00 -1.25 -3.54 115.22 101.47 2qbi n HIS 44 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.89 2qbi n HIS 44 Cb 0.53 -0.05 0.15 0.00 -0.00 0.00 0.00 29.99 30.62 2qbi n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2qbi n ASP 45 N -0.84 0.00 0.00 0.26 8.00 -1.26 0.07 116.55 122.79 2qbi n ASP 45 Ca 0.00 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.18 2qbi n ASP 45 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2qbi n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qbi n LYS 46 N -4.27 0.00 -0.23 -1.24 4.01 -1.26 -3.57 118.16 111.60 2qbi n LYS 46 Ca 0.11 0.49 0.12 0.00 -0.51 0.00 0.00 58.31 58.53 2qbi n LYS 46 Cb 0.37 -1.39 0.42 0.00 -0.51 0.00 0.00 35.03 33.91 2qbi n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qbi h VAL 47 N 0.00 0.84 -1.03 -0.18 2.07 -0.87 -1.57 116.25 115.51 2qbi h VAL 47 Ca 0.00 -0.21 0.28 0.00 0.82 0.00 0.00 66.70 67.59 2qbi h VAL 47 Cb 0.00 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 2qbi h VAL 47 CO 0.00 0.11 0.71 -0.03 0.02 0.00 0.00 177.57 178.38 2qbi h MET 48 N 0.61 0.20 0.06 1.57 -1.53 -0.42 -0.08 114.93 115.34 2qbi h MET 48 Ca 0.41 -0.01 -0.31 0.00 -3.44 0.00 0.00 59.70 56.34 2qbi h MET 48 Cb 0.71 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.69 2qbi h MET 48 CO -0.17 0.13 -1.75 -0.91 0.14 0.00 0.00 176.91 174.35 2qbi h ASN 49 N 0.20 0.19 -0.94 1.39 2.35 -1.34 -3.34 115.58 114.09 2qbi h ASN 49 Ca 0.53 -0.38 0.11 0.00 -0.55 0.00 0.00 56.30 56.01 2qbi h ASN 49 Cb 1.72 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.95 2qbi h ASN 49 CO -0.14 1.34 0.60 0.24 -1.65 0.00 0.00 177.43 177.82 2qbi h MET 50 N 0.03 0.89 0.00 0.81 2.86 -0.88 0.17 114.93 118.81 2qbi h MET 50 Ca -0.31 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 2qbi h MET 50 Cb 2.01 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.47 2qbi h MET 50 CO 0.10 0.59 0.00 -0.56 1.06 0.00 0.00 176.91 178.09 2qbi h GLN 51 N 0.91 0.00 0.00 1.72 -0.00 -1.56 -3.04 115.11 113.14 2qbi h GLN 51 Ca 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.08 2qbi h GLN 51 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.95 2qbi h GLN 51 CO -0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 178.83 178.51 2qbi h ALA 52 N 2.13 1.51 -2.51 0.06 0.00 -0.77 -3.39 119.26 116.29 2qbi h ALA 52 Ca 0.00 -0.10 -0.65 0.00 0.00 0.00 0.00 54.91 54.16 2qbi h ALA 52 Cb 0.61 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.22 2qbi h ALA 52 CO 0.00 0.14 -0.16 0.21 0.00 0.00 0.00 179.25 179.44 2qbi s LYS 53 N -4.48 3.59 0.47 0.00 2.36 -1.15 -4.95 119.74 115.58 2qbi s LYS 53 Ca -0.04 -0.28 0.34 0.00 -2.55 0.00 0.00 55.97 53.44 2qbi s LYS 53 Cb 0.15 -3.81 1.49 0.00 -1.05 0.00 0.00 37.83 34.60 2qbi s LYS 53 CO 0.62 -0.59 1.63 0.00 1.55 0.00 0.00 175.35 178.56 2qbi h ALA 54 N 8.46 2.97 0.00 3.13 0.00 -1.87 0.61 119.26 132.56 2qbi h ALA 54 Ca -0.29 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qbi h ALA 54 Cb 1.13 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qbi h ALA 54 CO 0.74 -1.56 0.15 0.39 0.00 0.00 0.00 179.25 178.97 2qbi n GLU 55 N -4.50 0.08 0.23 0.00 4.71 -1.26 -0.48 120.64 119.41 2qbi n GLU 55 Ca 0.37 0.54 0.11 0.00 -0.01 0.00 0.00 57.16 58.17 2qbi n GLU 55 Cb 1.51 -1.91 0.48 0.00 -1.01 0.00 0.00 31.44 30.51 2qbi n GLU 55 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2qbi h PHE 56 N 0.00 0.00 -0.33 -0.32 3.57 0.01 -1.18 116.94 118.69 2qbi h PHE 56 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2qbi h PHE 56 Cb 0.30 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2qbi h PHE 56 CO 0.00 0.20 0.01 0.66 -2.23 0.00 0.00 178.31 176.96 2qbi n TYR 57 N -3.37 1.16 0.00 0.41 4.02 0.37 -4.58 117.16 115.17 2qbi n TYR 57 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 57.90 56.94 2qbi n TYR 57 Cb 0.42 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2qbi n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qbi n SER 58 N -0.44 0.49 -4.94 7.72 7.64 -1.13 -4.97 113.62 117.99 2qbi n SER 58 Ca 0.24 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 2qbi n SER 58 Cb 0.97 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.20 2qbi n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qbi s GLU 59 N -1.35 2.81 0.13 1.43 -6.30 -0.46 -5.05 118.70 109.91 2qbi s GLU 59 Ca 0.00 -0.32 -0.30 0.00 -2.50 0.00 0.00 54.97 51.85 2qbi s GLU 59 Cb 0.00 -2.39 -0.07 0.00 0.00 0.00 0.00 34.13 31.68 2qbi s GLU 59 CO 0.00 -0.63 1.07 0.08 0.02 0.00 0.00 175.26 175.80 2qbi s VAL 60 N -2.84 4.12 0.30 3.70 1.01 -1.26 -4.74 120.40 120.68 2qbi s VAL 60 Ca 0.53 1.74 -0.13 0.00 0.00 0.00 0.00 61.98 64.12 2qbi s VAL 60 Cb -0.10 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 2qbi s VAL 60 CO 0.42 0.26 0.68 -0.76 0.00 0.00 0.00 175.10 175.69 2qbi s LEU 61 N 0.01 4.09 -0.56 3.92 1.43 0.18 -4.56 118.68 123.20 2qbi s LEU 61 Ca 0.50 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.81 2qbi s LEU 61 Cb -0.27 -3.97 0.16 0.00 0.03 0.00 0.00 46.19 42.14 2qbi s LEU 61 CO 0.32 -0.17 0.38 0.42 0.23 0.00 0.00 176.35 177.53 2qbi s THR 62 N -1.94 1.92 -0.20 5.49 -4.23 -0.26 -0.39 115.64 116.03 2qbi s THR 62 Ca 0.52 -3.41 -0.29 0.00 -1.18 0.00 0.00 61.69 57.33 2qbi s THR 62 Cb -0.10 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.44 2qbi s THR 62 CO 0.19 -1.02 1.08 -0.63 -0.54 0.00 0.00 174.62 173.70 2qbi s ILE 63 N -0.58 4.60 -0.36 2.99 1.09 -1.26 0.84 121.20 128.52 2qbi s ILE 63 Ca 0.24 1.93 -0.12 0.00 -1.10 0.00 0.00 60.65 61.60 2qbi s ILE 63 Cb -0.09 -4.24 0.01 0.00 -1.06 0.00 0.00 42.46 37.07 2qbi s ILE 63 CO -0.12 -0.15 0.22 -0.69 -0.10 0.00 0.00 174.94 174.10 2qbi s VAL 64 N 3.14 4.93 0.02 2.92 1.01 -0.89 -3.77 120.40 127.76 2qbi s VAL 64 Ca 0.47 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 2qbi s VAL 64 Cb -0.17 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2qbi s VAL 64 CO 0.09 -0.12 0.15 0.68 0.00 0.00 0.00 175.10 175.90 2qbi s VAL 65 N 1.64 0.10 0.00 2.92 -7.23 -1.26 -0.06 120.40 116.51 2qbi s VAL 65 Ca 0.04 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 2qbi s VAL 65 Cb -0.18 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.11 2qbi s VAL 65 CO 0.08 -0.45 0.00 -0.67 -0.31 0.00 0.00 175.10 173.75 2qbi n ASP 66 N 1.12 0.00 0.00 4.85 -0.08 -1.26 -1.89 116.55 119.30 2qbi n ASP 66 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 2qbi n ASP 66 Cb 0.57 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.80 2qbi n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qbi n GLY 67 N -1.15 1.20 0.00 0.27 0.00 -1.26 -5.10 105.19 99.15 2qbi n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbi n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbi n LYS 68 N 0.00 3.77 -3.90 1.61 2.85 -0.79 -5.16 118.16 116.54 2qbi n LYS 68 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 2qbi n LYS 68 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2qbi n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2qbi s GLU 69 N 3.92 1.76 0.00 -1.58 1.03 -1.26 -4.03 118.70 118.53 2qbi s GLU 69 Ca 0.00 -1.12 0.00 0.00 0.03 0.00 0.00 54.97 53.88 2qbi s GLU 69 Cb 0.00 0.57 0.00 0.00 -0.80 0.00 0.00 34.13 33.90 2qbi s GLU 69 CO 0.00 -0.79 0.00 0.44 -1.33 0.00 0.00 175.26 173.58 2qbi n ILE 70 N -0.45 0.00 -2.83 1.83 -0.00 -1.25 -5.01 119.36 111.66 2qbi n ILE 70 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.70 2qbi n ILE 70 Cb 0.60 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.64 40.21 2qbi n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qbi n LYS 71 N -1.56 -2.92 -0.10 6.28 5.02 -1.25 -4.87 118.16 118.76 2qbi n LYS 71 Ca 0.00 2.40 0.00 0.00 -2.02 0.00 0.00 58.31 58.69 2qbi n LYS 71 Cb 0.00 -3.87 0.00 0.00 -0.02 0.00 0.00 35.03 31.14 2qbi n LYS 71 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2qbi n VAL 72 N 1.35 0.00 -4.50 -0.18 0.24 0.48 -4.08 118.33 111.64 2qbi n VAL 72 Ca -0.12 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.94 2qbi n VAL 72 Cb 0.28 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.55 2qbi n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2qbi s LYS 73 N 0.85 1.72 -0.53 7.34 1.02 -0.58 0.49 119.74 130.05 2qbi s LYS 73 Ca 0.00 -1.91 -0.14 0.00 0.02 0.00 0.00 55.97 53.94 2qbi s LYS 73 Cb 0.00 -1.34 0.13 0.00 -0.52 0.00 0.00 37.83 36.10 2qbi s LYS 73 CO 0.00 0.00 0.47 0.00 -0.92 0.00 0.00 175.35 174.90 2qbi s ALA 74 N -2.90 3.59 0.00 5.17 0.00 -1.26 -1.71 121.76 124.65 2qbi s ALA 74 Ca 0.33 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 49.70 2qbi s ALA 74 Cb 0.06 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2qbi s ALA 74 CO 0.15 -2.00 0.00 1.04 0.00 0.00 0.00 175.76 174.95 2qbi n GLN 75 N 5.06 0.00 -3.92 0.00 1.13 0.23 -4.92 117.38 114.96 2qbi n GLN 75 Ca -0.10 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.70 2qbi n GLN 75 Cb 0.41 -0.15 -0.02 0.00 0.11 0.00 0.00 30.24 30.59 2qbi n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qbi s ASP 76 N -1.37 4.62 0.01 1.08 3.68 -1.21 -4.93 116.67 118.56 2qbi s ASP 76 Ca 0.00 -1.21 -0.15 0.00 2.13 0.00 0.00 52.55 53.31 2qbi s ASP 76 Cb 0.00 0.27 0.03 0.00 -1.45 0.00 0.00 42.92 41.77 2qbi s ASP 76 CO 0.00 -1.01 0.33 0.54 0.13 0.00 0.00 175.17 175.16 2qbi s VAL 77 N -2.74 0.06 -0.49 1.11 0.11 -1.26 -0.81 120.40 116.39 2qbi s VAL 77 Ca 0.34 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2qbi s VAL 77 Cb -0.02 -0.79 0.14 0.00 -1.53 0.00 0.00 36.38 34.19 2qbi s VAL 77 CO 0.21 -0.29 0.29 -1.10 -3.33 0.00 0.00 175.10 170.87 2qbi s GLN 78 N -1.89 1.51 0.83 1.54 -0.21 0.22 -4.97 119.66 116.69 2qbi s GLN 78 Ca -0.09 -2.29 -0.12 0.00 0.02 0.00 0.00 55.36 52.87 2qbi s GLN 78 Cb -0.03 -2.54 0.09 0.00 1.00 0.00 0.00 33.01 31.53 2qbi s GLN 78 CO 0.01 -1.19 1.18 -0.98 -2.12 0.00 0.00 175.29 172.19 2qbi s ARG 79 N -0.02 1.83 0.43 2.91 1.70 -1.26 -0.27 118.95 124.27 2qbi s ARG 79 Ca 0.20 0.10 -0.24 0.00 -0.47 0.00 0.00 55.73 55.32 2qbi s ARG 79 Cb -0.19 -1.94 -0.08 0.00 -0.57 0.00 0.00 34.95 32.17 2qbi s ARG 79 CO -0.04 -1.69 1.17 -1.58 -1.08 0.00 0.00 175.30 172.08 2qbi s HIS 80 N -3.57 2.94 0.30 5.89 5.65 0.17 -4.73 115.29 121.94 2qbi s HIS 80 Ca 0.63 1.54 0.05 0.00 0.25 0.00 0.00 55.06 57.53 2qbi s HIS 80 Cb -0.11 -3.40 0.73 0.00 -1.18 0.00 0.00 32.58 28.62 2qbi s HIS 80 CO 0.50 -1.46 1.77 -1.35 -0.65 0.00 0.00 174.74 173.55 2qbi h PRO 81 N 2.29 0.73 0.00 2.88 0.11 -1.95 -3.35 132.00 132.71 2qbi h PRO 81 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qbi h PRO 81 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qbi h PRO 81 CO 0.61 0.48 0.00 2.48 -0.21 0.00 0.00 178.00 181.36 2qbi n TYR 82 N -4.78 0.00 -3.91 0.65 0.18 -1.26 -5.08 117.16 102.96 2qbi n TYR 82 Ca 0.23 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.66 2qbi n TYR 82 Cb 0.57 0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.44 2qbi n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qbi s LYS 83 N 0.00 4.04 -0.68 -3.48 1.02 -1.26 -5.00 119.74 114.39 2qbi s LYS 83 Ca 0.00 -0.30 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 2qbi s LYS 83 Cb 0.00 -3.29 -0.27 0.00 -0.52 0.00 0.00 37.83 33.75 2qbi s LYS 83 CO 0.00 0.29 1.88 -2.30 -0.92 0.00 0.00 175.35 174.31 2qbi n PRO 84 N 3.49 0.06 -3.70 -1.68 -0.02 -1.26 -4.02 135.00 127.87 2qbi n PRO 84 Ca -0.16 -1.40 -0.05 0.00 -2.02 0.00 0.00 63.50 59.87 2qbi n PRO 84 Cb 0.52 -3.34 -0.02 0.00 -0.02 0.00 0.00 33.50 30.65 2qbi n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbi s LYS 85 N 7.86 1.16 0.48 -0.52 -2.85 -1.26 -5.04 119.74 119.56 2qbi s LYS 85 Ca 0.74 -0.60 0.08 0.00 -1.00 0.00 0.00 55.97 55.19 2qbi s LYS 85 Cb 0.02 0.42 0.04 0.00 -2.06 0.00 0.00 37.83 36.25 2qbi s LYS 85 CO 0.23 -0.53 0.66 -0.51 0.10 0.00 0.00 175.35 175.30 2qbi s LEU 86 N -2.84 3.46 0.00 2.77 1.43 -1.26 0.42 118.68 122.66 2qbi s LEU 86 Ca 0.10 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2qbi s LEU 86 Cb -0.02 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.84 2qbi s LEU 86 CO -0.00 -0.97 0.00 0.00 0.23 0.00 0.00 176.35 175.60 2qbi n GLN 87 N -2.01 0.94 -3.65 1.70 6.02 0.63 -4.59 117.38 116.42 2qbi n GLN 87 Ca 0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.05 2qbi n GLN 87 Cb 0.60 -0.51 -0.07 0.00 1.02 0.00 0.00 30.24 31.27 2qbi n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qbi s HIS 88 N -0.89 -0.16 0.15 1.08 5.04 -1.14 -3.80 115.29 115.58 2qbi s HIS 88 Ca 0.00 0.39 0.06 0.00 -1.54 0.00 0.00 55.06 53.97 2qbi s HIS 88 Cb 0.00 0.45 -0.04 0.00 0.04 0.00 0.00 32.58 33.03 2qbi s HIS 88 CO 0.00 -0.08 -0.13 0.96 -2.34 0.00 0.00 174.74 173.15 2qbi s ILE 89 N 0.07 1.42 -0.35 0.89 -5.25 -1.25 0.73 121.20 117.46 2qbi s ILE 89 Ca 0.06 -1.96 -0.05 0.00 -0.99 0.00 0.00 60.65 57.71 2qbi s ILE 89 Cb -0.05 -1.78 0.06 0.00 2.95 0.00 0.00 42.46 43.64 2qbi s ILE 89 CO -0.13 -0.56 0.10 -1.81 -1.79 0.00 0.00 174.94 170.75 2qbi s ASP 90 N -2.91 5.21 -0.14 4.36 1.11 0.01 -2.96 116.67 121.34 2qbi s ASP 90 Ca 0.15 -1.35 -0.07 0.00 0.18 0.00 0.00 52.55 51.45 2qbi s ASP 90 Cb -0.02 -1.83 -0.04 0.00 1.07 0.00 0.00 42.92 42.11 2qbi s ASP 90 CO 0.04 -0.36 0.12 -0.36 1.18 0.00 0.00 175.17 175.79 2qbi s PHE 91 N 1.32 3.49 -0.15 4.23 2.99 -0.31 0.77 117.98 130.33 2qbi s PHE 91 Ca -0.01 0.42 -0.01 0.00 0.00 0.00 0.00 56.93 57.33 2qbi s PHE 91 Cb -0.20 -2.00 0.04 0.00 0.00 0.00 0.00 43.02 40.85 2qbi s PHE 91 CO 0.00 0.55 -0.04 0.08 -0.00 0.00 0.00 175.22 175.82 2qbi s VAL 92 N -0.53 0.93 0.07 -0.44 1.01 -0.69 -1.50 120.40 119.24 2qbi s VAL 92 Ca 0.12 -0.47 -0.35 0.00 0.00 0.00 0.00 61.98 61.28 2qbi s VAL 92 Cb -0.12 -1.12 -0.15 0.00 0.00 0.00 0.00 36.38 35.00 2qbi s VAL 92 CO 0.02 0.14 1.54 0.54 0.00 0.00 0.00 175.10 177.34 2qbi n ARG 93 N 4.94 1.73 0.00 2.72 1.74 -1.07 -1.53 116.66 125.18 2qbi n ARG 93 Ca -0.11 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 2qbi n ARG 93 Cb 0.48 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 2qbi n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11