#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg n LYS 2 N 0.00 0.00 -3.25 2.12 2.85 -1.26 -5.16 118.16 113.46 2qbg n LYS 2 Ca 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.29 2qbg n LYS 2 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2qbg n LYS 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2qbg s THR 3 N -2.08 -0.76 0.03 0.58 -4.23 -1.26 -5.14 115.64 102.78 2qbg s THR 3 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 2qbg s THR 3 Cb 0.00 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.74 2qbg s THR 3 CO 0.00 0.00 0.45 0.33 -0.54 0.00 0.00 174.62 174.86 2qbg n PHE 4 N 5.39 0.16 -3.75 3.99 -0.00 -1.26 -4.96 117.46 117.02 2qbg n PHE 4 Ca -0.05 0.51 -0.30 0.00 -0.00 0.00 0.00 57.45 57.61 2qbg n PHE 4 Cb 0.52 -1.02 -0.15 0.00 -0.00 0.00 0.00 39.48 38.83 2qbg n PHE 4 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 2qbg s THR 5 N -0.14 0.92 -0.43 -2.13 -1.32 -1.26 -4.81 115.64 106.48 2qbg s THR 5 Ca 0.41 -1.38 -0.44 0.00 -1.21 0.00 0.00 61.69 59.07 2qbg s THR 5 Cb -0.58 -1.67 -0.18 0.00 -1.51 0.00 0.00 72.50 68.55 2qbg s THR 5 CO 0.28 -0.64 1.75 0.00 -2.21 0.00 0.00 174.62 173.80 2qbg n ALA 6 N 4.83 -0.67 -2.50 11.08 0.00 -1.12 -4.90 120.51 127.23 2qbg n ALA 6 Ca -0.02 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 2qbg n ALA 6 Cb 0.42 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 2qbg n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qbg s LYS 7 N 3.73 4.59 0.65 0.00 -0.14 -1.26 -4.83 119.74 122.48 2qbg s LYS 7 Ca 1.05 1.33 0.25 0.00 -1.36 0.00 0.00 55.97 57.24 2qbg s LYS 7 Cb -1.34 -3.41 1.33 0.00 -1.68 0.00 0.00 37.83 32.73 2qbg s LYS 7 CO 0.73 0.11 1.76 -1.35 -0.76 0.00 0.00 175.35 175.84 2qbg h PRO 8 N 6.18 0.00 0.00 -1.68 0.11 -1.95 -1.73 132.00 132.93 2qbg h PRO 8 Ca -0.42 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.55 2qbg h PRO 8 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2qbg h PRO 8 CO 0.73 0.00 -0.79 0.93 -0.21 0.00 0.00 178.00 178.67 2qbg h GLU 9 N 0.00 0.00 -2.16 1.05 3.07 -1.99 -3.37 114.58 111.18 2qbg h GLU 9 Ca 0.06 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.65 2qbg h GLU 9 Cb 1.06 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.91 2qbg h GLU 9 CO -0.00 0.97 0.31 0.25 -1.40 0.00 0.00 179.01 179.13 2qbg n THR 10 N -4.50 3.23 -3.88 1.13 -2.24 -0.65 -4.89 114.28 102.48 2qbg n THR 10 Ca -0.23 -1.74 -0.21 0.00 -2.27 0.00 0.00 64.05 59.60 2qbg n THR 10 Cb 0.59 -2.08 -0.03 0.00 -2.10 0.00 0.00 70.33 66.72 2qbg n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qbg s VAL 11 N 1.04 4.40 -0.23 2.28 1.01 -1.22 -4.60 120.40 123.08 2qbg s VAL 11 Ca 0.67 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 2qbg s VAL 11 Cb 0.30 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 2qbg s VAL 11 CO -0.02 -0.27 -0.31 2.29 0.00 0.00 0.00 175.10 176.79 2qbg n LYS 12 N -1.37 0.50 0.00 2.72 2.85 -1.26 -5.01 118.16 116.59 2qbg n LYS 12 Ca -0.05 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 2qbg n LYS 12 Cb 0.58 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 2qbg n LYS 12 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbg n ARG 13 N -4.11 0.00 -0.60 -1.58 5.12 -1.26 -4.91 116.66 109.32 2qbg n ARG 13 Ca -0.43 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.49 2qbg n ARG 13 Cb 0.79 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.09 2qbg n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2qbg n ASP 14 N 3.56 -4.01 -4.96 0.55 10.43 -1.26 -3.26 116.55 117.60 2qbg n ASP 14 Ca 0.00 0.46 -0.22 0.00 2.57 0.00 0.00 54.79 57.60 2qbg n ASP 14 Cb 0.00 -1.13 -0.02 0.00 1.84 0.00 0.00 41.12 41.81 2qbg n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 2qbg s TRP 15 N -2.22 3.47 0.28 1.24 0.52 -1.26 0.82 118.94 121.79 2qbg s TRP 15 Ca 0.00 0.15 -0.14 0.00 0.02 0.00 0.00 56.10 56.13 2qbg s TRP 15 Cb 0.00 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.61 2qbg s TRP 15 CO 0.00 0.30 0.58 0.71 0.02 0.00 0.00 176.95 178.55 2qbg s TYR 16 N -2.13 0.25 -0.24 -1.98 1.51 -1.26 -3.47 117.35 110.03 2qbg s TYR 16 Ca 0.37 -0.66 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 2qbg s TYR 16 Cb -0.09 0.37 0.11 0.00 -0.11 0.00 0.00 41.96 42.24 2qbg s TYR 16 CO 0.32 -1.13 0.22 0.08 -1.11 0.00 0.00 175.55 173.93 2qbg s VAL 17 N -3.72 -0.30 0.15 0.71 1.01 -1.02 -2.95 120.40 114.28 2qbg s VAL 17 Ca 0.19 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2qbg s VAL 17 Cb -0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2qbg s VAL 17 CO 0.10 -0.37 -0.01 0.54 0.00 0.00 0.00 175.10 175.36 2qbg s VAL 18 N 2.29 3.74 -0.18 2.92 0.11 -0.95 -2.03 120.40 126.31 2qbg s VAL 18 Ca 0.08 -1.33 -0.01 0.00 -2.93 0.00 0.00 61.98 57.79 2qbg s VAL 18 Cb -0.15 -2.85 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 2qbg s VAL 18 CO -0.22 -0.05 -0.13 -0.62 -3.33 0.00 0.00 175.10 170.75 2qbg s ASP 19 N -2.75 3.74 -1.04 3.54 3.68 -1.26 0.44 116.67 123.02 2qbg s ASP 19 Ca 0.26 -0.48 -0.02 0.00 2.13 0.00 0.00 52.55 54.44 2qbg s ASP 19 Cb -0.10 -1.60 0.29 0.00 -1.45 0.00 0.00 42.92 40.07 2qbg s ASP 19 CO 0.18 0.03 1.93 0.00 0.13 0.00 0.00 175.17 177.44 2qbg n ALA 20 N 4.41 6.22 -1.13 3.66 0.00 -1.26 -4.73 120.51 127.68 2qbg n ALA 20 Ca -0.19 -4.48 0.00 0.00 0.00 0.00 0.00 53.44 48.77 2qbg n ALA 20 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2qbg n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qbg n THR 21 N 0.13 0.00 0.35 0.00 -1.04 -1.26 -2.21 114.28 110.25 2qbg n THR 21 Ca 0.50 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.62 2qbg n THR 21 Cb 0.26 -0.34 0.49 0.00 -1.82 0.00 0.00 70.33 68.93 2qbg n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbg n GLY 22 N 2.66 -1.17 3.43 3.41 0.00 -1.26 -3.29 105.19 108.97 2qbg n GLY 22 Ca 0.00 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2qbg n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbg n LYS 23 N -2.20 0.22 -0.05 1.61 4.76 -1.26 -4.42 118.16 116.82 2qbg n LYS 23 Ca 0.01 0.11 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 2qbg n LYS 23 Cb 0.18 -1.76 0.18 0.00 -1.84 0.00 0.00 35.03 31.80 2qbg n LYS 23 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qbg n THR 24 N -2.46 0.13 -1.18 -0.18 -2.24 -1.26 0.16 114.28 107.24 2qbg n THR 24 Ca 0.09 -0.53 0.06 0.00 -2.27 0.00 0.00 64.05 61.41 2qbg n THR 24 Cb 0.50 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.94 2qbg n THR 24 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qbg n LEU 25 N 1.24 -1.08 0.00 3.22 -0.00 -1.19 -3.91 117.00 115.28 2qbg n LEU 25 Ca 0.16 2.08 0.00 0.00 -0.00 0.00 0.00 56.01 58.25 2qbg n LEU 25 Cb 0.57 -2.31 0.00 0.00 -0.00 0.00 0.00 43.42 41.68 2qbg n LEU 25 CO 0.15 -1.13 0.00 0.61 -0.00 0.00 0.00 177.39 177.03 2qbg n GLY 26 N -3.06 1.03 0.00 -3.96 0.00 -1.26 -3.99 105.19 93.95 2qbg n GLY 26 Ca -0.04 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.04 2qbg n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbg n ARG 27 N 0.00 0.07 -0.05 1.61 1.74 -1.26 -1.05 116.66 117.72 2qbg n ARG 27 Ca 0.00 0.23 -0.05 0.00 -0.77 0.00 0.00 57.85 57.26 2qbg n ARG 27 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 2qbg n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qbg n LEU 28 N -1.43 0.90 -0.38 0.55 0.00 -1.26 -4.36 117.00 111.04 2qbg n LEU 28 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 56.01 56.02 2qbg n LEU 28 Cb 0.14 0.03 0.11 0.00 0.00 0.00 0.00 43.42 43.71 2qbg n LEU 28 CO 0.12 0.36 1.30 0.00 0.00 0.00 0.00 177.39 179.16 2qbg h ALA 29 N 0.30 1.29 0.04 1.96 0.00 -1.71 0.20 119.26 121.35 2qbg h ALA 29 Ca -0.24 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2qbg h ALA 29 Cb 1.49 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2qbg h ALA 29 CO -0.00 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.75 2qbg h THR 30 N 1.36 0.65 0.09 0.00 1.03 -1.32 0.48 112.91 115.20 2qbg h THR 30 Ca 0.37 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.79 2qbg h THR 30 Cb -0.14 0.65 -0.03 0.00 -1.07 0.00 0.00 68.15 67.56 2qbg h THR 30 CO -0.09 0.00 -0.18 -0.08 -0.01 0.00 0.00 175.52 175.17 2qbg h GLU 31 N -0.27 -0.32 0.00 0.00 4.57 -1.57 0.72 114.58 117.71 2qbg h GLU 31 Ca 0.04 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2qbg h GLU 31 Cb 0.31 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2qbg h GLU 31 CO -0.11 -0.22 0.00 1.28 -1.18 0.00 0.00 179.01 178.78 2qbg n LEU 32 N -5.30 0.00 -0.32 1.64 4.77 0.65 0.34 117.00 118.77 2qbg n LEU 32 Ca -0.06 0.76 0.07 0.00 -0.03 0.00 0.00 56.01 56.75 2qbg n LEU 32 Cb 0.22 -0.26 0.17 0.00 -2.33 0.00 0.00 43.42 41.21 2qbg n LEU 32 CO 0.27 -0.26 0.72 0.00 -1.33 0.00 0.00 177.39 176.79 2qbg h ALA 33 N -1.60 0.75 -0.68 -1.18 0.00 0.10 1.01 119.26 117.66 2qbg h ALA 33 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 54.91 55.39 2qbg h ALA 33 Cb 0.00 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2qbg h ALA 33 CO 0.00 -0.44 0.19 -0.09 0.00 0.00 0.00 179.25 178.91 2qbg h ARG 34 N 0.01 0.30 -0.21 0.00 1.12 0.18 0.57 114.38 116.35 2qbg h ARG 34 Ca 0.47 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 59.15 2qbg h ARG 34 Cb 0.80 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2qbg h ARG 34 CO -0.91 0.20 -0.58 -0.09 -3.11 0.00 0.00 179.97 175.48 2qbg h ARG 35 N 0.31 0.67 -0.90 0.20 9.65 0.55 -1.26 114.38 123.61 2qbg h ARG 35 Ca 0.37 -0.44 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2qbg h ARG 35 Cb 0.58 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.17 2qbg h ARG 35 CO -0.44 1.06 0.56 -0.07 2.80 0.00 0.00 179.97 183.88 2qbg h LEU 36 N 0.51 1.06 -0.83 3.80 -0.00 0.29 -0.75 115.31 119.39 2qbg h LEU 36 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2qbg h LEU 36 Cb 1.15 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 2qbg h LEU 36 CO 0.12 0.80 -0.06 -1.14 -0.00 0.00 0.00 178.44 178.16 2qbg n ARG 37 N -4.37 1.45 -2.96 1.13 0.63 0.17 -3.81 116.66 108.90 2qbg n ARG 37 Ca 0.10 -0.83 -0.22 0.00 -0.92 0.00 0.00 57.85 55.97 2qbg n ARG 37 Cb 0.05 -1.48 0.03 0.00 0.45 0.00 0.00 32.46 31.50 2qbg n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbg n GLY 38 N 1.21 -0.52 0.11 5.14 0.00 -0.54 -4.41 105.19 106.19 2qbg n GLY 38 Ca 0.17 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.41 2qbg n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbg n LYS 39 N -3.88 0.14 0.02 1.61 3.00 -0.57 -2.57 118.16 115.91 2qbg n LYS 39 Ca -0.12 0.48 -0.16 0.00 -0.00 0.00 0.00 58.31 58.51 2qbg n LYS 39 Cb 0.62 -1.82 -0.14 0.00 0.00 0.00 0.00 35.03 33.69 2qbg n LYS 39 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 2qbg h HIS 40 N 0.00 0.32 0.00 5.64 2.07 -1.89 -3.44 115.15 117.85 2qbg h HIS 40 Ca 0.00 -0.23 0.00 0.00 -2.85 0.00 0.00 60.37 57.29 2qbg h HIS 40 Cb 0.20 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.17 2qbg h HIS 40 CO 0.00 1.39 0.00 1.63 -3.07 0.00 0.00 177.93 177.88 2qbg n LYS 41 N -3.34 2.54 -1.86 5.12 5.02 -1.06 -4.80 118.16 119.79 2qbg n LYS 41 Ca -0.21 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.73 2qbg n LYS 41 Cb 1.05 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 36.04 2qbg n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbg n ALA 42 N -3.00 6.51 0.10 7.82 0.00 -1.26 -4.80 120.51 125.88 2qbg n ALA 42 Ca 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.71 2qbg n ALA 42 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 2qbg n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbg n GLU 43 N 0.68 0.01 -1.51 0.00 0.00 -1.25 -4.58 120.64 113.99 2qbg n GLU 43 Ca 0.53 0.30 -0.20 0.00 0.00 0.00 0.00 57.16 57.78 2qbg n GLU 43 Cb 0.37 -2.13 -0.20 0.00 0.00 0.00 0.00 31.44 29.48 2qbg n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2qbg n TYR 44 N -1.45 0.21 0.00 4.31 -0.00 -1.26 -3.48 117.16 115.49 2qbg n TYR 44 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2qbg n TYR 44 Cb 0.64 -0.88 0.00 0.00 -0.00 0.00 0.00 39.34 39.10 2qbg n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2qbg n THR 45 N 6.09 0.00 0.06 2.97 5.66 -1.26 -2.78 114.28 125.03 2qbg n THR 45 Ca 0.64 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.66 2qbg n THR 45 Cb 0.19 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.07 2qbg n THR 45 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2qbg n PRO 46 N 0.00 0.03 0.00 1.09 -0.02 -1.23 0.10 135.00 134.97 2qbg n PRO 46 Ca 0.00 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 61.92 2qbg n PRO 46 Cb 0.00 -1.92 0.06 0.00 -0.02 0.00 0.00 33.50 31.62 2qbg n PRO 46 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2qbg n HIS 47 N -1.51 0.00 -5.30 6.00 1.44 -1.26 -4.94 115.22 109.65 2qbg n HIS 47 Ca -0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 2qbg n HIS 47 Cb 0.34 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.29 2qbg n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qbg s VAL 48 N -1.79 2.06 -0.68 0.61 1.01 0.28 -5.08 120.40 116.81 2qbg s VAL 48 Ca 0.21 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 2qbg s VAL 48 Cb 0.16 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2qbg s VAL 48 CO 0.32 0.58 1.57 -0.62 0.00 0.00 0.00 175.10 176.95 2qbg s ASP 49 N -0.53 5.72 -0.40 3.32 -1.08 -1.26 -4.83 116.67 117.61 2qbg s ASP 49 Ca 0.08 -0.09 0.05 0.00 -0.52 0.00 0.00 52.55 52.07 2qbg s ASP 49 Cb -0.11 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.25 2qbg s ASP 49 CO -0.00 -2.11 1.29 0.35 0.52 0.00 0.00 175.17 175.21 2qbg n THR 50 N 6.81 2.64 -4.25 1.71 -2.24 -1.26 -4.90 114.28 112.79 2qbg n THR 50 Ca 0.12 -4.32 -0.23 0.00 -2.27 0.00 0.00 64.05 57.35 2qbg n THR 50 Cb 0.50 -1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 67.48 2qbg n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qbg s GLY 51 N -3.29 1.76 1.12 3.38 0.00 -1.25 -3.89 107.32 105.15 2qbg s GLY 51 Ca 0.51 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.36 2qbg s GLY 51 CO -0.06 -1.74 1.08 0.99 0.00 0.00 0.00 173.10 173.37 2qbg s ASP 52 N -3.72 1.54 -0.47 1.64 -0.00 -0.40 -4.25 116.67 111.01 2qbg s ASP 52 Ca 0.33 0.97 0.03 0.00 -0.00 0.00 0.00 52.55 53.89 2qbg s ASP 52 Cb -0.05 -1.48 0.50 0.00 -0.00 0.00 0.00 42.92 41.90 2qbg s ASP 52 CO 0.21 -3.78 1.71 -1.22 -0.00 0.00 0.00 175.17 172.09 2qbg n TYR 53 N -4.58 2.64 -1.62 4.23 4.01 0.24 -4.62 117.16 117.46 2qbg n TYR 53 Ca 0.08 -2.35 -0.53 0.00 -0.16 0.00 0.00 57.90 54.95 2qbg n TYR 53 Cb 0.58 -0.92 -0.06 0.00 -0.31 0.00 0.00 39.34 38.63 2qbg n TYR 53 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2qbg n ILE 54 N -0.96 0.08 -3.97 -0.72 0.13 -1.25 -3.99 119.36 108.67 2qbg n ILE 54 Ca 0.52 -0.01 -0.29 0.00 -1.10 0.00 0.00 62.75 61.86 2qbg n ILE 54 Cb 0.99 -0.98 -0.16 0.00 -0.84 0.00 0.00 39.64 38.65 2qbg n ILE 54 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 2qbg s ILE 55 N 1.26 1.43 0.79 9.51 -4.36 -1.15 -3.87 121.20 124.81 2qbg s ILE 55 Ca 0.87 -0.69 -0.12 0.00 -0.26 0.00 0.00 60.65 60.45 2qbg s ILE 55 Cb -0.95 -1.45 0.07 0.00 1.25 0.00 0.00 42.46 41.37 2qbg s ILE 55 CO 0.50 0.30 1.14 -0.69 0.24 0.00 0.00 174.94 176.44 2qbg s VAL 56 N 1.52 2.68 0.00 8.37 1.01 -1.26 -2.23 120.40 130.49 2qbg s VAL 56 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2qbg s VAL 56 Cb -0.14 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2qbg s VAL 56 CO -0.09 -0.25 0.00 -0.11 0.00 0.00 0.00 175.10 174.65 2qbg n LEU 57 N -3.38 0.00 0.00 3.92 7.94 0.17 -3.85 117.00 121.80 2qbg n LEU 57 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2qbg n LEU 57 Cb 0.52 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.32 2qbg n LEU 57 CO 0.50 -0.18 0.19 0.59 -1.11 0.00 0.00 177.39 177.38 2qbg n ASN 58 N -1.80 0.00 0.00 1.96 4.13 -1.26 -3.04 115.26 115.26 2qbg n ASN 58 Ca 0.00 0.58 0.00 0.00 1.68 0.00 0.00 54.58 56.84 2qbg n ASN 58 Cb 0.00 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 2qbg n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbg n ALA 59 N -1.56 0.00 0.55 5.41 0.00 -1.23 -4.01 120.51 119.67 2qbg n ALA 59 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2qbg n ALA 59 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 2qbg n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qbg n ASP 60 N 0.00 1.12 -0.05 0.00 5.75 -1.25 -4.34 116.55 117.78 2qbg n ASP 60 Ca 0.00 -1.06 0.03 0.00 -0.01 0.00 0.00 54.79 53.75 2qbg n ASP 60 Cb 0.00 0.63 0.04 0.00 -1.03 0.00 0.00 41.12 40.76 2qbg n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qbg n LYS 61 N -0.53 2.02 -2.28 0.11 5.02 -1.26 -5.05 118.16 116.19 2qbg n LYS 61 Ca 0.04 -1.66 -0.41 0.00 -2.02 0.00 0.00 58.31 54.26 2qbg n LYS 61 Cb 0.24 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2qbg n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbg s VAL 62 N -1.36 3.18 0.79 -0.18 0.11 -0.94 -4.42 120.40 117.59 2qbg s VAL 62 Ca 0.09 1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 60.11 2qbg s VAL 62 Cb 0.08 -3.70 0.07 0.00 -1.53 0.00 0.00 36.38 31.30 2qbg s VAL 62 CO 0.01 0.22 1.12 0.00 -3.33 0.00 0.00 175.10 173.12 2qbg s ALA 63 N -0.62 2.46 0.00 1.54 0.00 0.41 -4.93 121.76 120.63 2qbg s ALA 63 Ca 0.51 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2qbg s ALA 63 Cb -0.36 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2qbg s ALA 63 CO 0.43 -1.63 0.00 1.55 0.00 0.00 0.00 175.76 176.11 2qbg n VAL 64 N -3.33 0.00 0.00 0.00 3.14 -1.25 -3.14 118.33 113.75 2qbg n VAL 64 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2qbg n VAL 64 Cb 0.58 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 2qbg n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2qbg n THR 65 N -0.91 0.00 -1.92 1.55 5.66 -1.26 -4.91 114.28 112.49 2qbg n THR 65 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qbg n THR 65 Cb 0.14 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 2qbg n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbg n GLY 66 N -1.62 0.49 0.35 1.09 0.00 -1.26 -2.84 105.19 101.39 2qbg n GLY 66 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.31 2qbg n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbg n ASN 67 N -3.62 1.03 -0.32 1.61 3.02 -1.26 -4.24 115.26 111.48 2qbg n ASN 67 Ca 0.00 -1.77 0.21 0.00 -0.03 0.00 0.00 54.58 52.99 2qbg n ASN 67 Cb 0.00 -0.09 0.42 0.00 -0.61 0.00 0.00 39.78 39.50 2qbg n ASN 67 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qbg h LYS 68 N 1.25 0.23 -1.27 3.52 1.57 -1.82 1.36 116.57 121.42 2qbg h LYS 68 Ca 0.00 -0.01 0.38 0.00 -1.87 0.00 0.00 60.65 59.15 2qbg h LYS 68 Cb 0.28 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.44 2qbg h LYS 68 CO 0.00 0.15 0.84 -0.09 -0.57 0.00 0.00 179.45 179.78 2qbg h ARG 69 N 0.23 0.16 0.00 3.15 9.65 -1.74 0.64 114.38 126.46 2qbg h ARG 69 Ca 0.69 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.54 2qbg h ARG 69 Cb 1.55 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 30.09 2qbg h ARG 69 CO -0.66 0.10 -1.08 0.25 2.80 0.00 0.00 179.97 181.38 2qbg n THR 70 N -4.53 0.05 -0.76 0.20 -2.24 0.15 -2.08 114.28 105.06 2qbg n THR 70 Ca 0.32 -0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 62.00 2qbg n THR 70 Cb 1.28 -0.25 0.26 0.00 -2.10 0.00 0.00 70.33 69.53 2qbg n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qbg n ASP 71 N -1.80 4.46 -3.45 3.42 9.92 0.42 -4.76 116.55 124.76 2qbg n ASP 71 Ca -0.01 -3.06 -0.25 0.00 -0.53 0.00 0.00 54.79 50.94 2qbg n ASP 71 Cb 0.29 -0.72 0.19 0.00 -0.64 0.00 0.00 41.12 40.24 2qbg n ASP 71 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2qbg n LYS 72 N -0.11 -2.13 0.00 -1.24 0.00 0.17 -4.74 118.16 110.10 2qbg n LYS 72 Ca 0.36 -1.55 0.00 0.00 0.00 0.00 0.00 58.31 57.13 2qbg n LYS 72 Cb 1.27 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2qbg n LYS 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qbg n VAL 73 N -4.10 0.00 -2.20 3.15 0.24 -1.26 -4.68 118.33 109.48 2qbg n VAL 73 Ca 0.13 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.39 2qbg n VAL 73 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 2qbg n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qbg n TYR 74 N 0.00 -1.86 -4.00 6.34 4.02 -1.26 -2.93 117.16 117.47 2qbg n TYR 74 Ca 0.00 0.76 -0.21 0.00 -0.01 0.00 0.00 57.90 58.43 2qbg n TYR 74 Cb 0.00 -2.85 -0.03 0.00 -0.02 0.00 0.00 39.34 36.43 2qbg n TYR 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qbg s TYR 75 N -1.73 3.18 -0.29 -0.72 2.02 -1.26 -2.00 117.35 116.55 2qbg s TYR 75 Ca 0.12 -0.12 -0.23 0.00 -0.37 0.00 0.00 57.07 56.47 2qbg s TYR 75 Cb -0.03 -1.53 0.17 0.00 -0.40 0.00 0.00 41.96 40.16 2qbg s TYR 75 CO 0.40 0.42 1.25 -3.38 -1.57 0.00 0.00 175.55 172.67 2qbg s HIS 76 N -2.12 -0.24 -0.12 2.71 -3.43 -0.26 -4.98 115.29 106.85 2qbg s HIS 76 Ca 0.35 0.57 -0.04 0.00 -0.80 0.00 0.00 55.06 55.13 2qbg s HIS 76 Cb -0.08 0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 2qbg s HIS 76 CO 0.27 -0.12 0.05 -1.58 -2.00 0.00 0.00 174.74 171.36 2qbg s HIS 77 N 0.31 3.29 0.21 0.38 2.46 -1.26 0.17 115.29 120.85 2qbg s HIS 77 Ca 0.03 0.23 0.16 0.00 0.47 0.00 0.00 55.06 55.95 2qbg s HIS 77 Cb -0.05 -1.90 0.57 0.00 -0.13 0.00 0.00 32.58 31.08 2qbg s HIS 77 CO -0.12 0.44 1.70 1.79 -2.47 0.00 0.00 174.74 176.08 2qbg h THR 78 N 4.32 1.09 0.00 0.89 1.35 -1.89 -3.46 112.91 115.20 2qbg h THR 78 Ca -0.48 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 2qbg h THR 78 Cb 1.20 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2qbg h THR 78 CO 0.59 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 2qbg n GLY 79 N 0.21 0.75 0.00 5.82 0.00 -1.26 -5.08 105.19 105.63 2qbg n GLY 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2qbg n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qbg n HIS 80 N -1.75 0.00 0.00 1.61 8.25 -1.26 -5.06 115.22 117.01 2qbg n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2qbg n HIS 80 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2qbg n HIS 80 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2qbg n ILE 81 N 0.00 0.00 -0.11 1.59 3.06 -1.26 -4.23 119.36 118.41 2qbg n ILE 81 Ca 0.00 0.25 -0.16 0.00 -2.50 0.00 0.00 62.75 60.34 2qbg n ILE 81 Cb 0.00 -0.47 -0.10 0.00 0.54 0.00 0.00 39.64 39.62 2qbg n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qbg n GLY 82 N -0.13 -0.31 7.00 4.50 0.00 -1.26 -4.99 105.19 109.99 2qbg n GLY 82 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qbg n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbg n GLY 83 N 2.33 1.90 3.36 -0.02 0.00 -1.26 -4.80 105.19 106.70 2qbg n GLY 83 Ca -0.40 0.55 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2qbg n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbg n ILE 84 N 0.00 -1.91 -3.58 -0.61 0.13 -1.24 -4.84 119.36 107.32 2qbg n ILE 84 Ca 0.00 -0.04 -0.31 0.00 -1.10 0.00 0.00 62.75 61.30 2qbg n ILE 84 Cb 0.00 -1.69 -0.05 0.00 -0.84 0.00 0.00 39.64 37.06 2qbg n ILE 84 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2qbg s LYS 85 N -4.09 3.65 0.15 9.51 1.02 0.13 -4.85 119.74 125.27 2qbg s LYS 85 Ca 0.03 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.04 2qbg s LYS 85 Cb -0.02 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.47 2qbg s LYS 85 CO 0.55 0.40 -0.06 1.14 -0.92 0.00 0.00 175.35 176.46 2qbg s GLN 86 N -2.84 1.07 -0.28 1.68 -2.07 -1.26 -1.10 119.66 114.86 2qbg s GLN 86 Ca 0.43 -1.48 -0.07 0.00 -1.82 0.00 0.00 55.36 52.42 2qbg s GLN 86 Cb -0.12 -0.49 0.14 0.00 -1.09 0.00 0.00 33.01 31.45 2qbg s GLN 86 CO 0.25 -0.00 0.59 0.00 -1.32 0.00 0.00 175.29 174.80 2qbg s ALA 87 N -3.45 -1.89 0.93 2.60 0.00 -0.85 -5.01 121.76 114.10 2qbg s ALA 87 Ca 0.19 2.03 -0.11 0.00 0.00 0.00 0.00 51.96 54.07 2qbg s ALA 87 Cb 0.04 -1.77 0.15 0.00 0.00 0.00 0.00 23.12 21.54 2qbg s ALA 87 CO 0.01 -0.99 1.09 -0.08 0.00 0.00 0.00 175.76 175.79 2qbg s THR 88 N 2.82 2.50 0.17 0.00 -1.32 -1.23 -4.20 115.64 114.39 2qbg s THR 88 Ca 0.01 0.16 -0.25 0.00 -1.21 0.00 0.00 61.69 60.40 2qbg s THR 88 Cb -0.13 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.41 2qbg s THR 88 CO -0.18 -0.21 1.56 0.15 -2.21 0.00 0.00 174.62 173.73 2qbg h PHE 89 N -1.75 -1.35 -0.42 9.09 3.04 -1.77 -1.11 116.94 122.67 2qbg h PHE 89 Ca -0.50 0.09 0.04 0.00 3.98 0.00 0.00 57.97 61.58 2qbg h PHE 89 Cb 1.28 0.69 -0.06 0.00 2.56 0.00 0.00 35.95 40.42 2qbg h PHE 89 CO 0.42 -0.42 -0.33 0.93 -2.02 0.00 0.00 178.31 176.90 2qbg h GLU 90 N -0.17 -0.10 -0.46 1.11 5.08 -1.73 0.59 114.58 118.90 2qbg h GLU 90 Ca 0.20 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2qbg h GLU 90 Cb 0.55 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.73 2qbg h GLU 90 CO -0.76 -0.07 -0.17 0.93 -1.00 0.00 0.00 179.01 177.94 2qbg h GLU 91 N -0.10 -0.06 -0.31 2.33 5.08 -1.71 0.40 114.58 120.20 2qbg h GLU 91 Ca 0.07 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 2qbg h GLU 91 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2qbg h GLU 91 CO -0.45 -0.04 0.33 0.52 -1.00 0.00 0.00 179.01 178.37 2qbg h MET 92 N -0.06 0.00 0.15 2.33 2.86 0.06 -1.28 114.93 118.99 2qbg h MET 92 Ca 0.22 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.58 2qbg h MET 92 Cb 0.41 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.08 2qbg h MET 92 CO -0.51 0.00 -1.41 0.82 1.06 0.00 0.00 176.91 176.87 2qbg h ILE 93 N 0.00 1.11 -0.40 -1.22 5.03 0.18 -3.23 117.51 118.99 2qbg h ILE 93 Ca 0.15 -2.48 0.12 0.00 -0.12 0.00 0.00 64.86 62.52 2qbg h ILE 93 Cb 0.81 2.85 -0.02 0.00 -3.03 0.00 0.00 36.82 37.43 2qbg h ILE 93 CO -0.00 0.76 0.41 0.00 -0.68 0.00 0.00 178.15 178.64 2qbg h ALA 94 N 0.04 2.13 -2.84 1.87 0.00 0.25 -3.38 119.26 117.31 2qbg h ALA 94 Ca -0.28 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 2qbg h ALA 94 Cb 1.87 0.03 -0.31 0.00 0.00 0.00 0.00 17.79 19.38 2qbg h ALA 94 CO 0.13 -0.62 -0.50 -0.98 0.00 0.00 0.00 179.25 177.29 2qbg s ARG 95 N -4.66 0.18 -0.77 0.00 1.04 -1.04 -4.98 118.95 108.73 2qbg s ARG 95 Ca -0.04 0.74 -0.02 0.00 -1.04 0.00 0.00 55.73 55.37 2qbg s ARG 95 Cb 0.16 -0.01 -0.02 0.00 -2.04 0.00 0.00 34.95 33.04 2qbg s ARG 95 CO 0.57 -0.26 0.71 0.54 -0.04 0.00 0.00 175.30 176.82 2qbg n ARG 96 N 5.12 -1.47 0.29 3.89 1.74 -1.26 -4.62 116.66 120.35 2qbg n ARG 96 Ca -0.10 1.25 0.18 0.00 -0.77 0.00 0.00 57.85 58.41 2qbg n ARG 96 Cb 0.50 -5.48 0.77 0.00 -1.02 0.00 0.00 32.46 27.23 2qbg n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qbg h PRO 97 N 0.03 0.00 -0.61 5.56 0.11 -1.73 -3.16 132.00 132.20 2qbg h PRO 97 Ca -0.16 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.01 2qbg h PRO 97 Cb 1.08 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2qbg h PRO 97 CO 0.31 0.02 0.33 0.93 -0.21 0.00 0.00 178.00 179.38 2qbg h GLU 98 N 0.00 0.60 -0.12 1.05 3.07 -1.86 -1.97 114.58 115.35 2qbg h GLU 98 Ca -0.00 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2qbg h GLU 98 Cb 0.43 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2qbg h GLU 98 CO 0.00 0.40 0.17 0.00 -1.40 0.00 0.00 179.01 178.18 2qbg h ARG 99 N 0.62 0.00 -0.47 2.33 3.08 -1.91 0.26 114.38 118.29 2qbg h ARG 99 Ca 0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.27 2qbg h ARG 99 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2qbg h ARG 99 CO -0.18 0.00 0.07 0.28 -1.07 0.00 0.00 179.97 179.08 2qbg h VAL 100 N 0.00 1.25 0.05 2.04 2.07 -1.55 0.75 116.25 120.86 2qbg h VAL 100 Ca 0.06 -0.92 -0.26 0.00 0.82 0.00 0.00 66.70 66.39 2qbg h VAL 100 Cb 0.40 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2qbg h VAL 100 CO -0.00 0.33 -1.35 0.40 0.02 0.00 0.00 177.57 176.97 2qbg h ILE 101 N 0.66 1.33 0.00 4.57 1.08 -1.30 -3.10 117.51 120.75 2qbg h ILE 101 Ca 0.14 -3.03 0.00 0.00 -0.39 0.00 0.00 64.86 61.58 2qbg h ILE 101 Cb 0.39 2.74 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 2qbg h ILE 101 CO 0.01 0.81 0.00 -0.62 -0.69 0.00 0.00 178.15 177.66 2qbg n GLU 102 N -3.33 0.00 0.13 2.37 1.02 0.79 -0.68 120.64 120.94 2qbg n GLU 102 Ca -0.10 0.49 0.19 0.00 -0.02 0.00 0.00 57.16 57.73 2qbg n GLU 102 Cb 1.01 -1.40 0.77 0.00 -0.02 0.00 0.00 31.44 31.79 2qbg n GLU 102 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2qbg h ILE 103 N 0.00 0.37 0.41 -3.67 -0.00 -1.04 1.23 117.51 114.82 2qbg h ILE 103 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.84 2qbg h ILE 103 Cb 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 36.82 37.52 2qbg h ILE 103 CO 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 178.15 177.95 2qbg h ALA 104 N 1.55 -0.56 0.00 0.16 0.00 -1.44 -0.66 119.26 118.32 2qbg h ALA 104 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2qbg h ALA 104 Cb 0.92 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2qbg h ALA 104 CO -0.00 -0.65 -0.44 -0.39 0.00 0.00 0.00 179.25 177.77 2qbg h VAL 105 N -0.89 1.08 0.00 0.00 -1.51 0.10 -2.10 116.25 112.93 2qbg h VAL 105 Ca -0.06 -1.66 -0.03 0.00 -1.23 0.00 0.00 66.70 63.72 2qbg h VAL 105 Cb 0.56 1.96 -0.00 0.00 -2.13 0.00 0.00 31.29 31.67 2qbg h VAL 105 CO 0.09 0.43 -0.15 0.50 -1.23 0.00 0.00 177.57 177.22 2qbg h LYS 106 N 0.00 0.00 0.23 5.19 1.63 0.15 0.06 116.57 123.82 2qbg h LYS 106 Ca -0.00 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.45 2qbg h LYS 106 Cb 0.93 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.58 2qbg h LYS 106 CO 0.06 0.15 -1.59 0.78 -3.45 0.00 0.00 179.45 175.39 2qbg h GLY 107 N 1.32 0.55 1.00 5.01 0.00 -0.45 -3.31 103.07 107.19 2qbg h GLY 107 Ca -0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 47.33 45.91 2qbg h GLY 107 CO 0.02 1.23 0.35 -0.33 0.00 0.00 0.00 176.54 177.81 2qbg h MET 108 N 0.13 0.97 -7.06 4.80 2.86 -0.98 -3.44 114.93 112.21 2qbg h MET 108 Ca -0.29 -0.13 -0.54 0.00 -2.06 0.00 0.00 59.70 56.68 2qbg h MET 108 Cb 2.14 -0.18 0.19 0.00 0.06 0.00 0.00 31.60 33.81 2qbg h MET 108 CO 0.24 0.75 0.10 1.28 1.06 0.00 0.00 176.91 180.33 2qbg n LEU 109 N -4.48 3.26 -4.96 1.22 4.77 -0.04 -5.02 117.00 111.75 2qbg n LEU 109 Ca 0.05 0.56 -0.24 0.00 -0.03 0.00 0.00 56.01 56.35 2qbg n LEU 109 Cb 0.11 -1.42 0.08 0.00 -2.33 0.00 0.00 43.42 39.86 2qbg n LEU 109 CO 0.38 -2.17 0.56 -2.16 -1.33 0.00 0.00 177.39 172.67 2qbg s PRO 110 N -3.82 1.97 0.00 3.23 0.04 -1.26 -4.98 135.00 130.19 2qbg s PRO 110 Ca 0.70 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2qbg s PRO 110 Cb -0.29 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2qbg s PRO 110 CO 0.54 -1.29 0.00 1.63 0.04 0.00 0.00 177.00 177.92 2qbg n LYS 111 N -2.84 0.00 0.12 4.56 4.01 -1.26 -3.76 118.16 119.00 2qbg n LYS 111 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2qbg n LYS 111 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 2qbg n LYS 111 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbg n GLY 112 N 0.00 -0.52 0.15 0.72 0.00 -1.26 -4.68 105.19 99.61 2qbg n GLY 112 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 2qbg n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qbg h PRO 113 N 0.00 0.03 0.00 1.61 0.13 -2.00 0.25 132.00 132.02 2qbg h PRO 113 Ca 0.00 -0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 2qbg h PRO 113 Cb 0.00 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.08 2qbg h PRO 113 CO 0.00 0.02 -1.45 1.25 -0.23 0.00 0.00 178.00 177.59 2qbg h LEU 114 N 0.03 0.00 -0.20 1.56 5.85 -1.93 -3.27 115.31 117.35 2qbg h LEU 114 Ca 0.17 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2qbg h LEU 114 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2qbg h LEU 114 CO -0.34 0.84 0.07 1.23 -0.34 0.00 0.00 178.44 179.90 2qbg h GLY 115 N 3.50 0.33 2.00 3.75 0.00 -1.58 -2.06 103.07 109.01 2qbg h GLY 115 Ca -0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2qbg h GLY 115 CO 0.07 0.18 -0.22 -0.09 0.00 0.00 0.00 176.54 176.48 2qbg h ARG 116 N 0.16 0.00 0.00 4.80 9.65 -0.67 -1.34 114.38 126.98 2qbg h ARG 116 Ca 0.07 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 2qbg h ARG 116 Cb 0.21 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2qbg h ARG 116 CO -0.00 0.22 -0.34 0.00 2.80 0.00 0.00 179.97 182.64 2qbg h ALA 117 N 1.78 1.21 0.00 2.80 0.00 -1.48 -2.53 119.26 121.04 2qbg h ALA 117 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qbg h ALA 117 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qbg h ALA 117 CO 0.03 0.43 -0.73 -1.33 0.00 0.00 0.00 179.25 177.65 2qbg n MET 118 N -3.80 0.17 0.08 0.00 2.81 -0.57 -4.02 117.12 111.79 2qbg n MET 118 Ca -0.01 0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.76 2qbg n MET 118 Cb 0.42 -1.58 -0.14 0.00 -0.71 0.00 0.00 33.22 31.22 2qbg n MET 118 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 2qbg h PHE 119 N 0.00 0.38 0.00 2.03 3.04 -0.95 -3.25 116.94 118.19 2qbg h PHE 119 Ca 0.00 -0.28 0.00 0.00 3.98 0.00 0.00 57.97 61.67 2qbg h PHE 119 Cb 0.64 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.13 2qbg h PHE 119 CO 0.00 1.24 0.00 2.89 -2.02 0.00 0.00 178.31 180.42 2qbg n ARG 120 N -3.47 0.12 -0.00 1.11 1.85 -1.10 -1.38 116.66 113.79 2qbg n ARG 120 Ca -0.08 0.43 0.16 0.00 -1.00 0.00 0.00 57.85 57.35 2qbg n ARG 120 Cb 1.01 -1.76 0.87 0.00 -1.05 0.00 0.00 32.46 31.54 2qbg n ARG 120 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2qbg n LYS 121 N -1.98 1.12 -5.14 2.89 5.02 -1.23 -4.78 118.16 114.07 2qbg n LYS 121 Ca 0.02 -0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 55.81 2qbg n LYS 121 Cb 0.16 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.52 2qbg n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qbg s LEU 122 N -2.00 2.31 0.00 -0.35 0.20 -0.48 -3.96 118.68 114.40 2qbg s LEU 122 Ca 0.46 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.90 2qbg s LEU 122 Cb 0.22 -1.43 0.00 0.00 -0.43 0.00 0.00 46.19 44.55 2qbg s LEU 122 CO 0.36 0.31 0.00 0.29 -0.29 0.00 0.00 176.35 177.02 2qbg n LYS 123 N 2.51 3.92 0.00 1.98 4.01 -1.25 -5.03 118.16 124.31 2qbg n LYS 123 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 2qbg n LYS 123 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2qbg n LYS 123 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2qbg n VAL 124 N 0.00 0.00 -0.74 -0.18 0.24 -1.25 -4.22 118.33 112.17 2qbg n VAL 124 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.39 2qbg n VAL 124 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 2qbg n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qbg n TYR 125 N -1.49 -1.96 0.09 6.34 4.01 -1.26 -3.40 117.16 119.49 2qbg n TYR 125 Ca 0.00 1.06 -0.11 0.00 -0.16 0.00 0.00 57.90 58.69 2qbg n TYR 125 Cb 0.00 -1.78 -0.07 0.00 -0.31 0.00 0.00 39.34 37.18 2qbg n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qbg h ALA 126 N -0.72 -0.29 0.00 -0.72 0.00 -1.73 -3.41 119.26 112.39 2qbg h ALA 126 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qbg h ALA 126 Cb 0.70 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qbg h ALA 126 CO 0.03 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.33 2qbg n GLY 127 N 0.47 1.04 3.05 0.00 0.00 -1.17 -3.86 105.19 104.73 2qbg n GLY 127 Ca -0.08 0.55 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 2qbg n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbg n ASN 128 N 0.00 -4.65 -3.02 1.61 3.02 -1.26 -4.85 115.26 106.10 2qbg n ASN 128 Ca 0.00 -0.43 0.03 0.00 -0.03 0.00 0.00 54.58 54.15 2qbg n ASN 128 Cb 0.00 -3.99 -0.00 0.00 -0.61 0.00 0.00 39.78 35.18 2qbg n ASN 128 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2qbg s GLU 129 N -5.80 0.40 -0.13 3.52 4.04 -1.26 -5.11 118.70 114.36 2qbg s GLU 129 Ca 0.35 0.01 0.00 0.00 0.04 0.00 0.00 54.97 55.37 2qbg s GLU 129 Cb -0.16 0.08 -0.01 0.00 0.02 0.00 0.00 34.13 34.07 2qbg s GLU 129 CO 0.56 -0.63 -0.14 -3.38 -1.84 0.00 0.00 175.26 169.83 2qbg s HIS 130 N 2.25 2.80 -0.17 4.83 -3.43 -1.26 -4.71 115.29 115.61 2qbg s HIS 130 Ca 0.17 -0.73 -0.00 0.00 -0.80 0.00 0.00 55.06 53.69 2qbg s HIS 130 Cb -0.02 -1.85 0.12 0.00 -1.43 0.00 0.00 32.58 29.41 2qbg s HIS 130 CO -0.16 -0.27 1.91 0.09 -2.00 0.00 0.00 174.74 174.31 2qbg n ASN 131 N 3.64 5.59 -0.22 7.38 4.13 -1.26 -3.96 115.26 130.56 2qbg n ASN 131 Ca -0.18 -2.72 0.08 0.00 1.68 0.00 0.00 54.58 53.44 2qbg n ASN 131 Cb 0.53 -1.02 0.13 0.00 -1.54 0.00 0.00 39.78 37.87 2qbg n ASN 131 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2qbg n HIS 132 N 0.77 0.00 -0.27 3.10 8.25 -1.26 -4.79 115.22 121.02 2qbg n HIS 132 Ca 0.16 -0.94 0.23 0.00 -0.26 0.00 0.00 57.72 56.91 2qbg n HIS 132 Cb 0.58 -0.15 0.57 0.00 1.12 0.00 0.00 29.99 32.10 2qbg n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbg h ALA 133 N 0.16 2.40 0.00 -1.41 0.00 -2.03 0.33 119.26 118.71 2qbg h ALA 133 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qbg h ALA 133 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qbg h ALA 133 CO 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 179.25 178.54 2qbg n ALA 134 N -2.56 1.16 0.83 0.00 0.00 -1.26 -0.62 120.51 118.06 2qbg n ALA 134 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.74 2qbg n ALA 134 Cb 0.85 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 19.26 2qbg n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbg n GLN 135 N -1.24 1.06 -3.53 0.00 3.00 0.10 -5.03 117.38 111.74 2qbg n GLN 135 Ca 0.00 -0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 2qbg n GLN 135 Cb 0.01 -1.35 0.05 0.00 0.00 0.00 0.00 30.24 28.96 2qbg n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qbg n GLN 136 N -1.44 -1.53 -2.54 -1.09 6.02 0.21 -4.91 117.38 112.10 2qbg n GLN 136 Ca 0.03 0.63 -0.39 0.00 -0.01 0.00 0.00 57.00 57.26 2qbg n GLN 136 Cb 0.28 -4.67 -0.04 0.00 1.02 0.00 0.00 30.24 26.83 2qbg n GLN 136 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2qbg s PRO 137 N -5.36 4.51 -0.14 -1.09 0.02 -1.26 -4.92 135.00 126.75 2qbg s PRO 137 Ca 0.45 1.65 -0.18 0.00 0.02 0.00 0.00 61.00 62.94 2qbg s PRO 137 Cb -0.13 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 2qbg s PRO 137 CO 0.82 0.14 0.48 -0.65 -0.33 0.00 0.00 177.00 177.46 2qbg s GLN 138 N -1.78 4.29 0.03 5.54 -0.21 -1.23 -4.67 119.66 121.63 2qbg s GLN 138 Ca 0.49 0.42 -0.35 0.00 0.02 0.00 0.00 55.36 55.93 2qbg s GLN 138 Cb -0.27 -3.47 -0.14 0.00 1.00 0.00 0.00 33.01 30.12 2qbg s GLN 138 CO 0.35 0.07 1.64 1.33 -2.12 0.00 0.00 175.29 176.56 2qbg n VAL 139 N 3.93 0.20 -3.89 1.09 0.24 -1.26 -2.42 118.33 116.22 2qbg n VAL 139 Ca -0.07 -0.04 -0.36 0.00 -2.04 0.00 0.00 64.34 61.84 2qbg n VAL 139 Cb 0.51 -1.46 -0.13 0.00 -1.47 0.00 0.00 33.84 31.29 2qbg n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qbg s LEU 140 N 2.02 3.26 -0.72 1.34 0.20 -0.86 -4.85 118.68 119.07 2qbg s LEU 140 Ca 0.86 -0.24 -0.26 0.00 0.69 0.00 0.00 54.13 55.17 2qbg s LEU 140 Cb -0.78 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.12 2qbg s LEU 140 CO 0.47 0.00 1.72 -1.81 -0.29 0.00 0.00 176.35 176.44 2qbg s ASP 141 N 1.37 5.53 0.00 3.68 1.01 -1.26 -4.49 116.67 122.51 2qbg s ASP 141 Ca 0.05 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.18 2qbg s ASP 141 Cb -0.15 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2qbg s ASP 141 CO 0.01 -2.26 0.00 -0.38 0.21 0.00 0.00 175.17 172.75