#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n GLU 2 N 0.00 0.60 -0.90 0.03 -0.58 -1.26 -3.56 120.64 114.97 2qbi n GLU 2 Ca 0.00 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 2qbi n GLU 2 Cb 0.00 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 2qbi n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2qbi n THR 3 N -4.24 -0.23 -3.70 2.62 5.66 -1.26 -4.21 114.28 108.93 2qbi n THR 3 Ca -0.33 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.51 2qbi n THR 3 Cb 0.76 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 2qbi n THR 3 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2qbi n ILE 4 N 1.55 0.00 -3.64 1.09 -6.64 -1.26 -4.03 119.36 106.42 2qbi n ILE 4 Ca 0.00 -1.37 -0.06 0.00 -1.77 0.00 0.00 62.75 59.55 2qbi n ILE 4 Cb 0.00 -0.23 -0.07 0.00 -1.44 0.00 0.00 39.64 37.90 2qbi n ILE 4 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2qbi s ALA 5 N -2.50 -2.09 0.26 -1.28 0.00 -0.90 -4.81 121.76 110.45 2qbi s ALA 5 Ca 0.21 1.86 -0.02 0.00 0.00 0.00 0.00 51.96 54.01 2qbi s ALA 5 Cb -0.02 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2qbi s ALA 5 CO 0.13 -0.21 0.28 -1.59 0.00 0.00 0.00 175.76 174.37 2qbi s LYS 6 N 0.31 1.49 -0.17 0.00 0.00 -1.26 -0.24 119.74 119.88 2qbi s LYS 6 Ca 0.03 -1.66 0.01 0.00 0.00 0.00 0.00 55.97 54.34 2qbi s LYS 6 Cb -0.05 0.35 0.03 0.00 0.00 0.00 0.00 37.83 38.15 2qbi s LYS 6 CO -0.10 -0.56 -0.15 -1.58 0.00 0.00 0.00 175.35 172.97 2qbi s HIS 7 N -3.80 2.38 -0.14 1.78 2.46 0.41 -4.96 115.29 113.41 2qbi s HIS 7 Ca 0.35 -1.40 -0.08 0.00 0.47 0.00 0.00 55.06 54.40 2qbi s HIS 7 Cb 0.03 -1.69 -0.04 0.00 -0.13 0.00 0.00 32.58 30.75 2qbi s HIS 7 CO 0.16 -0.72 0.16 1.03 -2.47 0.00 0.00 174.74 172.90 2qbi s ARG 8 N 1.42 3.68 -0.88 2.88 0.52 -1.26 -0.72 118.95 124.59 2qbi s ARG 8 Ca 0.04 -0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 55.09 2qbi s ARG 8 Cb -0.13 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 2qbi s ARG 8 CO -0.11 0.64 0.79 0.72 0.02 0.00 0.00 175.30 177.36 2qbi n HIS 9 N 2.42 -2.47 -2.59 -0.53 8.25 -0.02 -4.96 115.22 115.31 2qbi n HIS 9 Ca -0.18 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.75 2qbi n HIS 9 Cb 0.54 -4.00 -0.04 0.00 1.12 0.00 0.00 29.99 27.62 2qbi n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbi s ALA 10 N -3.24 3.30 0.00 -1.41 0.00 0.30 -4.69 121.76 116.01 2qbi s ALA 10 Ca 0.28 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2qbi s ALA 10 Cb -0.04 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2qbi s ALA 10 CO 0.69 -0.21 0.72 0.54 0.00 0.00 0.00 175.76 177.51 2qbi n ARG 11 N 3.09 0.65 0.00 0.00 5.12 -1.26 -1.44 116.66 122.81 2qbi n ARG 11 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2qbi n ARG 11 Cb 0.48 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 2qbi n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qbi n SER 12 N 0.79 0.00 0.00 0.55 2.88 -1.26 -5.03 113.62 111.56 2qbi n SER 12 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2qbi n SER 12 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2qbi n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qbi n SER 13 N 0.00 0.00 0.00 -3.46 3.41 -1.25 -4.60 113.62 107.72 2qbi n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbi n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbi n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbi n ALA 14 N -2.67 0.00 0.00 7.33 0.00 -1.26 -3.80 120.51 120.10 2qbi n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbi n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbi n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n GLN 15 N -0.42 0.00 -0.00 0.00 10.64 -1.26 0.62 117.38 126.96 2qbi n GLN 15 Ca 0.00 0.39 -0.09 0.00 -1.83 0.00 0.00 57.00 55.46 2qbi n GLN 15 Cb 0.00 -1.56 -0.14 0.00 -0.86 0.00 0.00 30.24 27.68 2qbi n GLN 15 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2qbi h LYS 16 N 0.00 0.03 0.00 2.61 1.57 -1.99 -3.30 116.57 115.49 2qbi h LYS 16 Ca 0.00 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 2qbi h LYS 16 Cb 0.12 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2qbi h LYS 16 CO 0.00 0.65 -0.85 0.28 -0.57 0.00 0.00 179.45 178.96 2qbi h VAL 17 N 0.01 0.81 0.00 0.50 2.07 -0.19 -3.32 116.25 116.13 2qbi h VAL 17 Ca -0.24 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.38 2qbi h VAL 17 Cb 1.97 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2qbi h VAL 17 CO 0.09 0.27 0.00 -2.11 0.02 0.00 0.00 177.57 175.85 2qbi n ARG 18 N -4.52 0.48 -0.04 1.57 1.85 0.43 -0.62 116.66 115.82 2qbi n ARG 18 Ca -0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.61 2qbi n ARG 18 Cb 0.53 -1.25 -0.09 0.00 -1.05 0.00 0.00 32.46 30.60 2qbi n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qbi n LEU 19 N 0.54 0.00 -0.02 2.89 7.94 -1.24 -4.50 117.00 122.61 2qbi n LEU 19 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2qbi n LEU 19 Cb 0.19 0.19 -0.05 0.00 0.53 0.00 0.00 43.42 44.28 2qbi n LEU 19 CO 0.00 0.19 -0.64 0.55 -1.11 0.00 0.00 177.39 176.38 2qbi n VAL 20 N -2.27 0.21 -0.32 1.96 3.14 0.21 -4.57 118.33 116.70 2qbi n VAL 20 Ca -0.13 -0.21 -0.03 0.00 -2.96 0.00 0.00 64.34 61.00 2qbi n VAL 20 Cb 0.70 -0.23 0.08 0.00 -1.06 0.00 0.00 33.84 33.33 2qbi n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbi h ALA 21 N 0.47 1.10 -0.27 1.55 0.00 -1.43 -1.42 119.26 119.26 2qbi h ALA 21 Ca -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2qbi h ALA 21 Cb 0.84 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qbi h ALA 21 CO 0.00 0.50 0.08 -0.44 0.00 0.00 0.00 179.25 179.39 2qbi h ASP 22 N 1.17 0.35 -0.28 0.00 5.19 -1.81 -1.90 116.42 119.13 2qbi h ASP 22 Ca 0.32 -0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.77 2qbi h ASP 22 Cb -0.13 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 2qbi h ASP 22 CO -0.07 0.35 0.56 -0.07 -3.12 0.00 0.00 179.24 176.89 2qbi h LEU 23 N 0.39 0.00 0.00 1.55 3.38 -1.50 -3.25 115.31 115.88 2qbi h LEU 23 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qbi h LEU 23 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qbi h LEU 23 CO -0.01 0.00 0.00 -0.38 0.09 0.00 0.00 178.44 178.14 2qbi n ILE 24 N -3.20 0.00 -1.52 1.22 5.41 -0.72 -4.95 119.36 115.60 2qbi n ILE 24 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2qbi n ILE 24 Cb 0.69 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 2qbi n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qbi n ARG 25 N -0.86 -0.30 0.00 0.38 0.63 -1.19 -2.44 116.66 112.89 2qbi n ARG 25 Ca 0.00 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 2qbi n ARG 25 Cb 0.00 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 32.52 2qbi n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbi n GLY 26 N 1.19 3.04 2.49 5.14 0.00 0.28 -4.92 105.19 112.40 2qbi n GLY 26 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2qbi n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbi n LYS 27 N -1.79 1.30 0.00 1.61 5.02 -1.02 -4.49 118.16 118.78 2qbi n LYS 27 Ca 0.00 -0.88 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 2qbi n LYS 27 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 2qbi n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2qbi n LYS 28 N 3.61 0.00 0.00 1.97 0.00 -1.26 -2.71 118.16 119.77 2qbi n LYS 28 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.59 2qbi n LYS 28 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.28 2qbi n LYS 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbi n VAL 29 N 0.00 0.00 0.00 3.15 0.31 -1.21 0.10 118.33 120.68 2qbi n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbi n VAL 29 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2qbi n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2qbi n SER 30 N -0.50 0.00 0.27 4.52 7.64 -1.26 -2.55 113.62 121.73 2qbi n SER 30 Ca 0.00 0.51 0.14 0.00 1.01 0.00 0.00 58.87 60.53 2qbi n SER 30 Cb 0.00 -0.07 0.75 0.00 -1.01 0.00 0.00 64.21 63.88 2qbi n SER 30 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2qbi h GLN 31 N 0.00 0.00 -0.00 1.43 1.08 -1.93 -0.95 115.11 114.73 2qbi h GLN 31 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qbi h GLN 31 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2qbi h GLN 31 CO 0.00 0.10 0.00 0.00 -0.95 0.00 0.00 178.83 177.98 2qbi n ALA 32 N -2.24 1.98 0.03 3.87 0.00 -1.10 -2.21 120.51 120.84 2qbi n ALA 32 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qbi n ALA 32 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2qbi n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbi n LEU 33 N -0.50 0.47 -0.46 0.00 0.00 -0.38 -4.68 117.00 111.45 2qbi n LEU 33 Ca 0.00 0.09 0.40 0.00 0.00 0.00 0.00 56.01 56.50 2qbi n LEU 33 Cb 0.00 -0.12 0.74 0.00 0.00 0.00 0.00 43.42 44.04 2qbi n LEU 33 CO 0.00 -0.41 1.36 0.44 0.00 0.00 0.00 177.39 178.77 2qbi h ASP 34 N 0.00 0.08 0.51 1.96 3.45 -1.30 0.19 116.42 121.30 2qbi h ASP 34 Ca 0.00 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 2qbi h ASP 34 Cb 0.44 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 2qbi h ASP 34 CO 0.00 -0.02 -0.37 0.40 -1.57 0.00 0.00 179.24 177.68 2qbi h ILE 35 N 0.05 0.00 -0.56 0.35 1.08 -1.72 -0.13 117.51 116.58 2qbi h ILE 35 Ca 0.72 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 65.30 2qbi h ILE 35 Cb 2.72 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 36.38 2qbi h ILE 35 CO -0.09 0.00 0.02 -0.07 -0.69 0.00 0.00 178.15 177.32 2qbi h LEU 36 N -0.84 -0.20 0.00 1.44 -0.00 -0.93 0.78 115.31 115.56 2qbi h LEU 36 Ca -0.07 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2qbi h LEU 36 Cb 0.69 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 2qbi h LEU 36 CO 0.03 -0.07 0.00 0.35 -0.00 0.00 0.00 178.44 178.75 2qbi n THR 37 N -5.23 0.39 -2.65 0.22 -2.24 -0.83 -2.87 114.28 101.07 2qbi n THR 37 Ca 0.07 0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.83 2qbi n THR 37 Cb 0.31 -0.89 0.02 0.00 -2.10 0.00 0.00 70.33 67.67 2qbi n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2qbi n TYR 38 N -1.17 1.53 -2.81 4.78 4.02 0.27 -4.93 117.16 118.85 2qbi n TYR 38 Ca 0.07 -2.88 -0.03 0.00 -0.01 0.00 0.00 57.90 55.05 2qbi n TYR 38 Cb 0.08 -0.33 0.01 0.00 -0.02 0.00 0.00 39.34 39.07 2qbi n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2qbi s THR 39 N -3.53 -0.99 -0.76 -0.72 -4.23 -0.91 -4.86 115.64 99.64 2qbi s THR 39 Ca 0.31 -0.88 -0.19 0.00 -1.18 0.00 0.00 61.69 59.76 2qbi s THR 39 Cb 0.45 0.00 -0.17 0.00 1.34 0.00 0.00 72.50 74.11 2qbi s THR 39 CO -0.00 0.00 1.92 -0.46 -0.54 0.00 0.00 174.62 175.53 2qbi n ASN 40 N 3.10 0.34 -3.71 3.99 0.23 -1.26 -4.75 115.26 113.20 2qbi n ASN 40 Ca 0.17 -1.84 -0.12 0.00 -0.53 0.00 0.00 54.58 52.27 2qbi n ASN 40 Cb 0.56 -1.33 -0.10 0.00 -2.08 0.00 0.00 39.78 36.83 2qbi n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qbi s LYS 41 N 7.64 0.44 0.00 -3.83 1.02 -1.26 -5.06 119.74 118.69 2qbi s LYS 41 Ca 0.70 0.68 0.00 0.00 0.02 0.00 0.00 55.97 57.37 2qbi s LYS 41 Cb -0.14 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 2qbi s LYS 41 CO 0.16 -0.11 0.76 1.17 -0.92 0.00 0.00 175.35 176.42 2qbi n LYS 42 N 3.53 0.00 -0.21 1.68 3.00 -1.26 -0.19 118.16 124.71 2qbi n LYS 42 Ca -0.18 0.76 0.22 0.00 -0.00 0.00 0.00 58.31 59.11 2qbi n LYS 42 Cb 0.56 -1.15 0.59 0.00 0.00 0.00 0.00 35.03 35.03 2qbi n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbi h ALA 43 N -0.81 2.43 -0.03 3.14 0.00 -1.97 0.38 119.26 122.41 2qbi h ALA 43 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qbi h ALA 43 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qbi h ALA 43 CO 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 179.25 178.65 2qbi h ALA 44 N 1.60 1.25 -0.00 0.00 0.00 -0.87 0.29 119.26 121.54 2qbi h ALA 44 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2qbi h ALA 44 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2qbi h ALA 44 CO -0.12 -0.12 -0.59 1.33 0.00 0.00 0.00 179.25 179.76 2qbi n VAL 45 N -3.24 0.00 -0.07 0.00 0.24 0.12 -3.37 118.33 112.02 2qbi n VAL 45 Ca -0.02 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 2qbi n VAL 45 Cb 0.18 0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 32.99 2qbi n VAL 45 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qbi n LEU 46 N -1.38 1.69 0.32 1.34 4.77 0.96 -3.46 117.00 121.24 2qbi n LEU 46 Ca 0.06 0.58 0.20 0.00 -0.03 0.00 0.00 56.01 56.82 2qbi n LEU 46 Cb 0.34 -0.83 1.11 0.00 -2.33 0.00 0.00 43.42 41.70 2qbi n LEU 46 CO 0.36 -0.46 1.17 -0.37 -1.33 0.00 0.00 177.39 176.76 2qbi h VAL 47 N -0.93 0.12 -0.24 4.08 -1.51 -1.57 0.10 116.25 116.31 2qbi h VAL 47 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 2qbi h VAL 47 Cb 0.52 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2qbi h VAL 47 CO 0.00 0.00 -0.10 0.50 -1.23 0.00 0.00 177.57 176.74 2qbi h LYS 48 N 0.00 0.49 0.23 5.19 1.63 -1.71 -1.80 116.57 120.60 2qbi h LYS 48 Ca 0.01 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 2qbi h LYS 48 Cb 0.10 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2qbi h LYS 48 CO -0.00 0.75 -0.11 -0.22 -3.45 0.00 0.00 179.45 176.42 2qbi h LYS 49 N 0.22 -0.29 -1.01 1.90 3.64 -0.87 -2.76 116.57 117.39 2qbi h LYS 49 Ca 0.06 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.71 2qbi h LYS 49 Cb 0.60 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.40 2qbi h LYS 49 CO 0.03 0.05 0.67 0.28 -2.27 0.00 0.00 179.45 178.22 2qbi h VAL 50 N -0.71 0.55 0.82 2.00 2.07 -1.33 0.29 116.25 119.94 2qbi h VAL 50 Ca -0.03 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2qbi h VAL 50 Cb 0.49 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2qbi h VAL 50 CO 0.05 0.06 -0.39 0.25 0.02 0.00 0.00 177.57 177.56 2qbi h LEU 51 N 0.33 -0.93 0.00 2.57 5.85 -1.13 0.22 115.31 122.21 2qbi h LEU 51 Ca 0.55 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.30 2qbi h LEU 51 Cb 1.52 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.79 2qbi h LEU 51 CO -0.21 -0.66 0.00 -1.84 -0.34 0.00 0.00 178.44 175.39 2qbi n GLU 52 N -5.01 0.62 0.00 1.25 0.28 -0.28 0.60 120.64 118.11 2qbi n GLU 52 Ca -0.14 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.92 2qbi n GLU 52 Cb 0.43 -1.02 -0.04 0.00 1.43 0.00 0.00 31.44 32.24 2qbi n GLU 52 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2qbi n SER 53 N -0.52 0.84 -0.08 -1.84 7.64 0.86 -3.52 113.62 117.00 2qbi n SER 53 Ca 0.01 -0.92 -0.11 0.00 1.01 0.00 0.00 58.87 58.85 2qbi n SER 53 Cb 0.00 0.81 -0.07 0.00 -1.01 0.00 0.00 64.21 63.94 2qbi n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbi n ALA 54 N -0.89 1.65 -0.11 -0.43 0.00 0.19 -3.89 120.51 117.03 2qbi n ALA 54 Ca 0.03 -0.69 -0.00 0.00 0.00 0.00 0.00 53.44 52.78 2qbi n ALA 54 Cb 0.21 0.13 0.27 0.00 0.00 0.00 0.00 19.45 20.05 2qbi n ALA 54 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbi h ILE 55 N -0.00 1.19 0.76 0.00 5.03 -0.03 0.82 117.51 125.27 2qbi h ILE 55 Ca -0.36 -0.56 -0.04 0.00 -0.12 0.00 0.00 64.86 63.78 2qbi h ILE 55 Cb 1.56 0.52 0.01 0.00 -3.03 0.00 0.00 36.82 35.87 2qbi h ILE 55 CO -0.06 0.23 -0.37 0.00 -0.68 0.00 0.00 178.15 177.27 2qbi h ALA 56 N 1.50 -1.02 -0.10 1.87 0.00 -1.76 -1.35 119.26 118.39 2qbi h ALA 56 Ca 0.19 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qbi h ALA 56 Cb 0.11 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2qbi h ALA 56 CO -0.02 -0.99 0.16 -0.91 0.00 0.00 0.00 179.25 177.49 2qbi h ASN 57 N -1.20 0.00 -0.30 0.00 -0.26 -1.58 0.40 115.58 112.64 2qbi h ASN 57 Ca -0.10 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.53 2qbi h ASN 57 Cb 0.80 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 2qbi h ASN 57 CO 0.17 0.00 -0.20 0.00 -1.06 0.00 0.00 177.43 176.34 2qbi h ALA 58 N 1.79 0.90 -1.12 -0.83 0.00 0.14 -3.33 119.26 116.81 2qbi h ALA 58 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qbi h ALA 58 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qbi h ALA 58 CO -0.00 0.62 0.00 0.39 0.00 0.00 0.00 179.25 180.26 2qbi n GLU 59 N -4.12 0.00 -0.57 0.00 -0.58 0.12 -1.61 120.64 113.88 2qbi n GLU 59 Ca 0.00 0.30 -0.29 0.00 -0.42 0.00 0.00 57.16 56.75 2qbi n GLU 59 Cb 0.42 -0.79 0.23 0.00 -0.57 0.00 0.00 31.44 30.73 2qbi n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2qbi s HIS 60 N -0.63 1.39 0.00 -0.32 2.46 0.03 -4.27 115.29 113.96 2qbi s HIS 60 Ca 0.00 1.33 0.00 0.00 0.47 0.00 0.00 55.06 56.86 2qbi s HIS 60 Cb 0.00 -3.15 0.00 0.00 -0.13 0.00 0.00 32.58 29.30 2qbi s HIS 60 CO 0.00 -3.66 0.00 0.09 -2.47 0.00 0.00 174.74 168.70 2qbi n ASN 61 N -4.79 0.00 -4.85 9.88 5.03 -1.26 -4.62 115.26 114.66 2qbi n ASN 61 Ca 0.05 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.23 2qbi n ASN 61 Cb 0.54 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.29 2qbi n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qbi n ASP 62 N 4.10 2.86 -0.61 6.41 8.00 -1.25 -5.06 116.55 131.00 2qbi n ASP 62 Ca 0.00 -2.95 0.02 0.00 0.71 0.00 0.00 54.79 52.56 2qbi n ASP 62 Cb 0.00 0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2qbi n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qbi n GLY 63 N -1.63 -0.60 3.64 0.44 0.00 -1.24 -3.94 105.19 101.85 2qbi n GLY 63 Ca -0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 2qbi n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbi s ALA 64 N -1.59 -2.15 0.33 4.61 0.00 -0.63 -4.62 121.76 117.71 2qbi s ALA 64 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2qbi s ALA 64 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2qbi s ALA 64 CO 0.00 -0.41 0.00 -3.47 0.00 0.00 0.00 175.76 171.88 2qbi n ASP 65 N 0.23 -9.40 -0.01 0.00 4.64 -1.26 -4.91 116.55 105.84 2qbi n ASP 65 Ca 0.02 1.41 -0.15 0.00 -1.38 0.00 0.00 54.79 54.69 2qbi n ASP 65 Cb 0.58 -5.21 -0.14 0.00 -1.04 0.00 0.00 41.12 35.30 2qbi n ASP 65 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2qbi n ILE 66 N 1.07 1.69 -0.25 5.18 -0.00 -1.26 -4.29 119.36 121.50 2qbi n ILE 66 Ca 0.00 -0.73 0.33 0.00 -0.00 0.00 0.00 62.75 62.35 2qbi n ILE 66 Cb 0.00 -1.37 0.71 0.00 -0.00 0.00 0.00 39.64 38.99 2qbi n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2qbi h ASP 67 N 0.03 0.00 -0.57 7.28 3.32 -2.02 0.64 116.42 125.11 2qbi h ASP 67 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2qbi h ASP 67 Cb 2.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.58 2qbi h ASP 67 CO 0.08 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.70 2qbi n ASP 68 N -3.95 4.74 -4.90 6.45 5.75 -1.26 -4.97 116.55 118.41 2qbi n ASP 68 Ca 0.23 -2.59 -0.32 0.00 -0.01 0.00 0.00 54.79 52.10 2qbi n ASP 68 Cb 1.21 -0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 40.68 2qbi n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qbi s LEU 69 N -2.10 4.32 -0.06 -2.12 1.02 0.22 -4.42 118.68 115.55 2qbi s LEU 69 Ca 0.49 0.46 -0.07 0.00 0.02 0.00 0.00 54.13 55.02 2qbi s LEU 69 Cb 0.34 -3.08 0.02 0.00 0.02 0.00 0.00 46.19 43.48 2qbi s LEU 69 CO 0.20 0.13 0.19 -1.59 0.02 0.00 0.00 176.35 175.31 2qbi s LYS 70 N -2.47 0.30 -1.11 1.70 -2.85 0.14 -3.35 119.74 112.09 2qbi s LYS 70 Ca 0.37 0.14 -0.23 0.00 -1.00 0.00 0.00 55.97 55.25 2qbi s LYS 70 Cb -0.13 0.14 -0.12 0.00 -2.06 0.00 0.00 37.83 35.66 2qbi s LYS 70 CO 0.25 -0.05 1.95 1.55 0.10 0.00 0.00 175.35 179.15 2qbi n VAL 71 N 2.64 1.64 0.19 1.79 3.14 0.28 -0.50 118.33 127.52 2qbi n VAL 71 Ca -0.15 -1.67 0.18 0.00 -2.96 0.00 0.00 64.34 59.73 2qbi n VAL 71 Cb 0.58 -2.16 0.82 0.00 -1.06 0.00 0.00 33.84 32.02 2qbi n VAL 71 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2qbi h THR 72 N 6.03 0.45 -1.94 1.55 1.35 -1.06 0.80 112.91 120.09 2qbi h THR 72 Ca 0.21 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.04 2qbi h THR 72 Cb 0.91 0.81 -0.20 0.00 -1.73 0.00 0.00 68.15 67.94 2qbi h THR 72 CO 1.29 0.00 0.23 -0.75 -0.25 0.00 0.00 175.52 176.03 2qbi s LYS 73 N -4.62 0.95 -0.16 4.72 2.47 0.51 -4.68 119.74 118.92 2qbi s LYS 73 Ca -0.05 0.40 -0.17 0.00 -1.56 0.00 0.00 55.97 54.59 2qbi s LYS 73 Cb 0.15 0.45 0.05 0.00 -1.46 0.00 0.00 37.83 37.02 2qbi s LYS 73 CO 0.54 -0.26 0.47 -1.50 0.16 0.00 0.00 175.35 174.76 2qbi s ILE 74 N -0.84 0.00 -0.27 5.43 1.10 -1.26 0.95 121.20 126.31 2qbi s ILE 74 Ca -0.07 -0.03 -0.28 0.00 -0.51 0.00 0.00 60.65 59.76 2qbi s ILE 74 Cb -0.01 -0.67 0.17 0.00 0.15 0.00 0.00 42.46 42.10 2qbi s ILE 74 CO 0.07 -0.02 1.28 0.72 -2.11 0.00 0.00 174.94 174.89 2qbi s PHE 75 N 0.10 -0.15 0.15 3.50 -0.71 -0.67 -4.97 117.98 115.23 2qbi s PHE 75 Ca -0.01 0.30 0.11 0.00 -1.04 0.00 0.00 56.93 56.29 2qbi s PHE 75 Cb -0.03 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 2qbi s PHE 75 CO 0.01 -0.11 -0.24 0.14 -1.34 0.00 0.00 175.22 173.69 2qbi s VAL 76 N -0.59 2.44 0.06 -2.49 -7.23 -1.26 -0.98 120.40 110.36 2qbi s VAL 76 Ca 0.06 -1.78 0.06 0.00 -1.81 0.00 0.00 61.98 58.50 2qbi s VAL 76 Cb -0.02 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2qbi s VAL 76 CO -0.08 0.03 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.76 2qbi s ASP 77 N -2.28 1.92 -0.30 4.85 1.11 -1.20 -4.91 116.67 115.85 2qbi s ASP 77 Ca 0.17 -0.56 -0.35 0.00 0.18 0.00 0.00 52.55 51.99 2qbi s ASP 77 Cb -0.09 -0.10 -0.12 0.00 1.07 0.00 0.00 42.92 43.68 2qbi s ASP 77 CO 0.08 0.02 2.11 -0.62 1.18 0.00 0.00 175.17 177.93 2qbi n GLU 78 N 1.54 1.26 -2.74 8.23 1.02 -1.26 -1.85 120.64 126.83 2qbi n GLU 78 Ca -0.19 0.38 -0.28 0.00 -0.02 0.00 0.00 57.16 57.05 2qbi n GLU 78 Cb 0.54 -2.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.47 2qbi n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2qbi s GLY 79 N 6.57 1.58 -0.89 0.62 0.00 -0.37 -4.87 107.32 109.96 2qbi s GLY 79 Ca 1.06 -0.48 -0.18 0.00 0.00 0.00 0.00 44.72 45.12 2qbi s GLY 79 CO 0.50 -0.32 2.30 -1.05 0.00 0.00 0.00 173.10 174.53 2qbi n PRO 80 N -2.02 0.30 -1.75 2.90 -0.02 -1.26 -3.63 135.00 129.51 2qbi n PRO 80 Ca 0.00 -0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 60.63 2qbi n PRO 80 Cb 0.55 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 2qbi n PRO 80 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qbi n SER 81 N 12.41 3.70 -4.78 2.55 3.41 -1.26 -4.32 113.62 125.33 2qbi n SER 81 Ca 0.57 1.18 -0.37 0.00 -0.26 0.00 0.00 58.87 59.99 2qbi n SER 81 Cb 0.29 -1.59 -0.06 0.00 -0.26 0.00 0.00 64.21 62.59 2qbi n SER 81 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qbi s MET 82 N -1.26 4.60 0.07 4.33 -1.94 0.35 -4.82 119.30 120.63 2qbi s MET 82 Ca 0.59 1.31 -0.10 0.00 -1.71 0.00 0.00 55.69 55.78 2qbi s MET 82 Cb -0.50 -2.90 -0.06 0.00 2.01 0.00 0.00 34.83 33.38 2qbi s MET 82 CO 0.56 0.34 0.39 0.15 -0.01 0.00 0.00 175.02 176.45 2qbi s LYS 83 N -1.87 3.76 0.36 2.03 -0.14 -1.26 -0.61 119.74 122.01 2qbi s LYS 83 Ca 0.47 0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 55.15 2qbi s LYS 83 Cb -0.20 -3.01 0.03 0.00 -1.68 0.00 0.00 37.83 32.97 2qbi s LYS 83 CO 0.25 0.57 0.66 0.50 -0.76 0.00 0.00 175.35 176.57 2qbi s ARG 84 N -1.86 2.07 -0.01 1.68 6.06 -1.11 -4.92 118.95 120.86 2qbi s ARG 84 Ca 0.32 -1.54 0.04 0.00 -2.50 0.00 0.00 55.73 52.05 2qbi s ARG 84 Cb -0.14 0.55 -0.01 0.00 0.06 0.00 0.00 34.95 35.41 2qbi s ARG 84 CO 0.18 -0.93 -0.12 0.42 -2.50 0.00 0.00 175.30 172.34 2qbi s ILE 85 N -2.71 0.98 -0.16 4.11 1.01 -1.26 -4.41 121.20 118.76 2qbi s ILE 85 Ca 0.21 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 2qbi s ILE 85 Cb -0.03 -0.83 0.03 0.00 0.01 0.00 0.00 42.46 41.65 2qbi s ILE 85 CO 0.15 0.28 -0.08 -0.32 0.00 0.00 0.00 174.94 174.96 2qbi s MET 86 N -0.25 1.71 0.28 2.79 1.75 -1.11 -4.94 119.30 119.53 2qbi s MET 86 Ca 0.04 -0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 53.66 2qbi s MET 86 Cb -0.05 -2.00 -0.12 0.00 2.84 0.00 0.00 34.83 35.50 2qbi s MET 86 CO -0.00 -0.36 1.63 -2.14 -0.65 0.00 0.00 175.02 173.50 2qbi s PRO 87 N 1.58 4.11 0.06 4.11 0.02 -1.26 -2.18 135.00 141.44 2qbi s PRO 87 Ca 0.02 2.60 0.05 0.00 0.02 0.00 0.00 61.00 63.69 2qbi s PRO 87 Cb -0.14 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 2qbi s PRO 87 CO -0.08 -0.67 -0.15 0.50 -0.33 0.00 0.00 177.00 176.27 2qbi s ARG 88 N -0.14 0.90 0.64 5.54 6.06 0.51 -4.95 118.95 127.51 2qbi s ARG 88 Ca 0.66 -0.89 -0.17 0.00 -2.50 0.00 0.00 55.73 52.83 2qbi s ARG 88 Cb -0.49 -0.93 -0.10 0.00 0.06 0.00 0.00 34.95 33.50 2qbi s ARG 88 CO 0.45 0.22 0.21 0.00 -2.50 0.00 0.00 175.30 173.67 2qbi n ALA 89 N 1.52 -2.26 -1.77 6.12 0.00 -1.26 -0.87 120.51 121.99 2qbi n ALA 89 Ca -0.20 -0.17 -0.16 0.00 0.00 0.00 0.00 53.44 52.91 2qbi n ALA 89 Cb 0.54 -1.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 2qbi n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbi n LYS 90 N 0.43 -1.20 -2.46 0.00 5.02 -1.26 -3.15 118.16 115.53 2qbi n LYS 90 Ca 0.09 0.98 -0.06 0.00 -2.02 0.00 0.00 58.31 57.29 2qbi n LYS 90 Cb 0.49 -5.25 0.01 0.00 -0.02 0.00 0.00 35.03 30.26 2qbi n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbi n GLY 91 N -0.98 0.33 3.77 0.72 0.00 -1.00 -5.06 105.19 102.98 2qbi n GLY 91 Ca -0.18 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 2qbi n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbi s ARG 92 N -4.83 2.75 0.19 1.61 0.52 -0.05 -4.93 118.95 114.20 2qbi s ARG 92 Ca 0.08 -1.09 0.07 0.00 -0.52 0.00 0.00 55.73 54.28 2qbi s ARG 92 Cb -0.04 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 2qbi s ARG 92 CO 0.10 0.42 -0.14 0.00 0.02 0.00 0.00 175.30 175.70 2qbi s ALA 93 N -2.04 1.90 0.05 2.13 0.00 -1.26 0.19 121.76 122.73 2qbi s ALA 93 Ca 0.32 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.68 2qbi s ALA 93 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2qbi s ALA 93 CO 0.23 0.04 -0.07 -0.51 0.00 0.00 0.00 175.76 175.45 2qbi s ASP 94 N -3.26 0.83 0.11 0.00 1.01 -0.93 -4.92 116.67 109.51 2qbi s ASP 94 Ca 0.21 -0.63 -0.34 0.00 0.71 0.00 0.00 52.55 52.50 2qbi s ASP 94 Cb -0.00 0.05 -0.14 0.00 1.01 0.00 0.00 42.92 43.84 2qbi s ASP 94 CO 0.06 -0.26 1.55 -0.09 0.21 0.00 0.00 175.17 176.64 2qbi h ARG 95 N 4.24 -0.69 -5.39 8.23 9.65 -1.92 -2.93 114.38 125.57 2qbi h ARG 95 Ca -0.35 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 2qbi h ARG 95 Cb 1.20 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.90 2qbi h ARG 95 CO 0.45 -0.46 -0.45 1.51 2.80 0.00 0.00 179.97 183.82 2qbi n ILE 96 N -5.46 -4.58 -4.11 1.20 3.06 -1.26 -3.48 119.36 104.72 2qbi n ILE 96 Ca -0.08 0.91 -0.35 0.00 -2.50 0.00 0.00 62.75 60.73 2qbi n ILE 96 Cb 0.41 -3.54 -0.12 0.00 0.54 0.00 0.00 39.64 36.92 2qbi n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qbi s LEU 97 N -0.20 3.43 -1.13 9.51 2.01 -1.26 -2.75 118.68 128.28 2qbi s LEU 97 Ca -0.07 -0.10 -0.09 0.00 0.01 0.00 0.00 54.13 53.88 2qbi s LEU 97 Cb 0.00 -1.86 0.26 0.00 0.01 0.00 0.00 46.19 44.60 2qbi s LEU 97 CO 0.18 0.11 1.22 0.29 1.01 0.00 0.00 176.35 179.17 2qbi n LYS 98 N 3.93 3.61 -1.87 1.70 5.02 0.22 -4.86 118.16 125.91 2qbi n LYS 98 Ca -0.17 -4.35 -0.39 0.00 -2.02 0.00 0.00 58.31 51.38 2qbi n LYS 98 Cb 0.52 -2.63 0.02 0.00 -0.02 0.00 0.00 35.03 32.92 2qbi n LYS 98 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2qbi s ARG 99 N -0.93 3.52 0.50 1.97 1.70 -1.26 -0.49 118.95 123.96 2qbi s ARG 99 Ca 0.33 2.26 0.06 0.00 -0.47 0.00 0.00 55.73 57.91 2qbi s ARG 99 Cb -0.07 -2.50 0.01 0.00 -0.57 0.00 0.00 34.95 31.82 2qbi s ARG 99 CO -0.05 -0.89 0.33 0.95 -1.08 0.00 0.00 175.30 174.56 2qbi s THR 100 N -1.28 1.84 0.08 4.99 -4.23 -1.24 -3.80 115.64 112.01 2qbi s THR 100 Ca 0.65 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.63 2qbi s THR 100 Cb -0.40 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 2qbi s THR 100 CO 0.50 0.00 -0.08 -0.44 -0.54 0.00 0.00 174.62 174.06 2qbi s SER 101 N -4.17 1.17 -0.62 3.99 0.01 -0.52 -1.24 113.70 112.33 2qbi s SER 101 Ca 0.34 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 56.87 2qbi s SER 101 Cb -0.01 0.04 0.28 0.00 0.21 0.00 0.00 66.02 66.54 2qbi s SER 101 CO 0.21 -0.31 0.80 1.41 0.41 0.00 0.00 173.24 175.76 2qbi n HIS 102 N 0.64 3.68 -1.60 2.43 8.25 -0.77 0.11 115.22 127.95 2qbi n HIS 102 Ca -0.17 -4.10 -0.40 0.00 -0.26 0.00 0.00 57.72 52.80 2qbi n HIS 102 Cb 0.58 -0.53 0.03 0.00 1.12 0.00 0.00 29.99 31.18 2qbi n HIS 102 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2qbi n ILE 103 N 0.53 2.83 -3.52 1.59 5.41 0.10 -3.28 119.36 123.03 2qbi n ILE 103 Ca 0.30 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.43 2qbi n ILE 103 Cb 0.41 -1.13 -0.11 0.00 -0.71 0.00 0.00 39.64 38.10 2qbi n ILE 103 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2qbi s THR 104 N -1.39 -0.49 -0.11 1.39 2.01 -0.15 -0.45 115.64 116.45 2qbi s THR 104 Ca 0.68 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.68 2qbi s THR 104 Cb -0.50 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 2qbi s THR 104 CO 0.53 -0.05 0.07 -0.69 -0.69 0.00 0.00 174.62 173.80 2qbi s VAL 105 N 2.47 4.89 -0.39 3.82 1.01 0.67 -1.67 120.40 131.20 2qbi s VAL 105 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2qbi s VAL 105 Cb -0.14 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.27 2qbi s VAL 105 CO -0.12 0.60 0.22 -0.69 0.00 0.00 0.00 175.10 175.10 2qbi s VAL 106 N -0.83 0.86 0.45 2.92 1.01 0.27 -2.11 120.40 122.96 2qbi s VAL 106 Ca 0.13 -2.12 -0.06 0.00 0.00 0.00 0.00 61.98 59.94 2qbi s VAL 106 Cb -0.12 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2qbi s VAL 106 CO 0.03 -0.91 0.76 0.54 0.00 0.00 0.00 175.10 175.52 2qbi s VAL 107 N 0.75 4.90 0.19 2.92 0.11 -1.26 -0.36 120.40 127.66 2qbi s VAL 107 Ca 0.17 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.36 2qbi s VAL 107 Cb -0.23 -3.83 0.04 0.00 -1.53 0.00 0.00 36.38 30.82 2qbi s VAL 107 CO -0.02 -0.74 0.53 -0.24 -3.33 0.00 0.00 175.10 171.30 2qbi n SER 108 N -1.97 -1.25 -0.02 3.54 2.88 0.35 -4.41 113.62 112.74 2qbi n SER 108 Ca 0.01 -1.80 -0.01 0.00 -1.33 0.00 0.00 58.87 55.73 2qbi n SER 108 Cb 0.55 2.07 -0.00 0.00 -0.75 0.00 0.00 64.21 66.07 2qbi n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qbi n ASP 109 N -1.20 0.40 0.00 -3.46 9.92 -1.23 -0.69 116.55 120.29 2qbi n ASP 109 Ca -0.04 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 2qbi n ASP 109 Cb 0.35 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2qbi n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19