#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi s LYS 2 N 0.00 0.31 0.99 2.12 -2.85 -1.26 -5.17 119.74 113.89 2qbi s LYS 2 Ca 0.00 0.17 -0.14 0.00 -1.00 0.00 0.00 55.97 55.00 2qbi s LYS 2 Cb 0.00 0.10 0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2qbi s LYS 2 CO 0.00 -0.53 0.27 0.25 0.10 0.00 0.00 175.35 175.44 2qbi n THR 3 N 4.89 0.00 -0.61 3.79 -2.24 -1.26 -4.96 114.28 113.90 2qbi n THR 3 Ca 0.08 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2qbi n THR 3 Cb 0.58 -0.60 0.10 0.00 -2.10 0.00 0.00 70.33 68.30 2qbi n THR 3 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2qbi n PHE 4 N -3.78 -2.02 0.00 4.78 -0.00 -1.26 -5.06 117.46 110.12 2qbi n PHE 4 Ca 0.05 0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 2qbi n PHE 4 Cb 0.56 -1.38 0.00 0.00 -0.00 0.00 0.00 39.48 38.66 2qbi n PHE 4 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2qbi n THR 5 N -3.93 0.00 -1.51 -2.13 5.66 -1.26 -4.96 114.28 106.15 2qbi n THR 5 Ca 0.04 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.58 2qbi n THR 5 Cb 0.24 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.00 2qbi n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbi n ALA 6 N 0.00 -1.30 -2.74 1.79 0.00 -1.17 -4.96 120.51 112.13 2qbi n ALA 6 Ca 0.00 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.49 2qbi n ALA 6 Cb 0.00 -1.86 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 2qbi n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qbi s LYS 7 N -1.30 4.00 0.23 0.00 -0.14 -1.26 -4.94 119.74 116.33 2qbi s LYS 7 Ca 0.61 -0.03 0.08 0.00 -1.36 0.00 0.00 55.97 55.28 2qbi s LYS 7 Cb -0.80 -3.35 0.44 0.00 -1.68 0.00 0.00 37.83 32.45 2qbi s LYS 7 CO 0.58 0.44 1.09 -2.30 -0.76 0.00 0.00 175.35 174.40 2qbi n PRO 8 N 2.99 0.06 -0.12 -1.68 -0.02 -1.26 -1.54 135.00 133.42 2qbi n PRO 8 Ca -0.15 0.47 -0.26 0.00 -2.02 0.00 0.00 63.50 61.54 2qbi n PRO 8 Cb 0.53 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 2qbi n PRO 8 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qbi n GLU 9 N -1.79 0.57 -1.03 -0.52 4.71 -1.26 -4.53 120.64 116.80 2qbi n GLU 9 Ca -0.01 0.36 -0.26 0.00 -0.01 0.00 0.00 57.16 57.25 2qbi n GLU 9 Cb 0.33 -1.57 -0.06 0.00 -1.01 0.00 0.00 31.44 29.13 2qbi n GLU 9 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2qbi n THR 10 N -4.33 3.30 -4.19 2.62 -2.24 -0.59 -4.87 114.28 103.98 2qbi n THR 10 Ca -0.44 -1.89 -0.31 0.00 -2.27 0.00 0.00 64.05 59.14 2qbi n THR 10 Cb 0.79 -2.28 -0.08 0.00 -2.10 0.00 0.00 70.33 66.66 2qbi n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qbi s VAL 11 N 2.17 4.07 -0.22 2.28 1.01 -1.25 -4.58 120.40 123.89 2qbi s VAL 11 Ca 0.59 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2qbi s VAL 11 Cb 0.19 -2.89 -0.13 0.00 0.00 0.00 0.00 36.38 33.55 2qbi s VAL 11 CO -0.03 0.22 -0.08 2.29 0.00 0.00 0.00 175.10 177.50 2qbi n LYS 12 N 0.89 0.55 0.00 2.72 2.85 -1.26 -4.99 118.16 118.93 2qbi n LYS 12 Ca -0.12 0.44 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 2qbi n LYS 12 Cb 0.52 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 2qbi n LYS 12 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbi n ARG 13 N -4.41 0.00 -0.64 -1.58 5.12 -1.26 -4.90 116.66 109.00 2qbi n ARG 13 Ca -0.34 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.58 2qbi n ARG 13 Cb 0.67 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.97 2qbi n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2qbi n ASP 14 N 3.19 -4.42 -4.91 0.55 8.00 -1.26 -3.67 116.55 114.03 2qbi n ASP 14 Ca 0.00 0.47 -0.31 0.00 0.71 0.00 0.00 54.79 55.66 2qbi n ASP 14 Cb 0.00 -1.13 -0.04 0.00 -0.02 0.00 0.00 41.12 39.93 2qbi n ASP 14 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2qbi s TRP 15 N -1.65 3.50 0.29 1.24 0.52 -1.26 -1.21 118.94 120.37 2qbi s TRP 15 Ca 0.00 0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.48 2qbi s TRP 15 Cb 0.00 -1.84 -0.00 0.00 -1.15 0.00 0.00 33.47 30.48 2qbi s TRP 15 CO 0.00 0.53 0.36 0.66 0.02 0.00 0.00 176.95 178.52 2qbi n TYR 16 N 0.20 -1.10 -3.73 -1.98 4.02 -1.25 -3.03 117.16 110.29 2qbi n TYR 16 Ca -0.04 -2.12 -0.13 0.00 -0.01 0.00 0.00 57.90 55.60 2qbi n TYR 16 Cb 0.51 0.40 -0.10 0.00 -0.02 0.00 0.00 39.34 40.13 2qbi n TYR 16 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2qbi s VAL 17 N -2.88 -0.00 0.04 -0.72 1.01 -1.23 -3.45 120.40 113.17 2qbi s VAL 17 Ca 0.28 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 2qbi s VAL 17 Cb -0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 2qbi s VAL 17 CO 0.20 0.01 0.16 0.54 0.00 0.00 0.00 175.10 176.00 2qbi s VAL 18 N 0.39 0.12 -0.33 2.92 0.11 -0.97 -1.85 120.40 120.79 2qbi s VAL 18 Ca -0.01 -1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.03 2qbi s VAL 18 Cb -0.04 -0.96 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 2qbi s VAL 18 CO -0.01 -0.55 0.05 -0.62 -3.33 0.00 0.00 175.10 170.63 2qbi s ASP 19 N -2.19 4.90 -1.28 3.54 3.68 -1.26 0.34 116.67 124.39 2qbi s ASP 19 Ca -0.04 -1.65 -0.18 0.00 2.13 0.00 0.00 52.55 52.81 2qbi s ASP 19 Cb -0.00 -1.70 0.03 0.00 -1.45 0.00 0.00 42.92 39.79 2qbi s ASP 19 CO -0.05 -0.34 1.85 0.00 0.13 0.00 0.00 175.17 176.76 2qbi n ALA 20 N 4.52 3.50 -2.00 3.66 0.00 -1.26 -4.68 120.51 124.25 2qbi n ALA 20 Ca -0.07 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.68 2qbi n ALA 20 Cb 0.42 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.30 2qbi n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qbi n THR 21 N 6.46 0.00 0.00 0.00 -1.04 -1.26 -2.45 114.28 115.99 2qbi n THR 21 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 2qbi n THR 21 Cb 0.45 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2qbi n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbi n GLY 22 N 4.26 -0.38 3.77 3.41 0.00 -1.26 -2.48 105.19 112.51 2qbi n GLY 22 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qbi n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbi s LYS 23 N -2.75 3.95 0.00 1.61 -0.14 -1.26 -4.62 119.74 116.53 2qbi s LYS 23 Ca 0.00 2.52 0.25 0.00 -1.36 0.00 0.00 55.97 57.38 2qbi s LYS 23 Cb 0.00 -2.85 1.48 0.00 -1.68 0.00 0.00 37.83 34.78 2qbi s LYS 23 CO 0.00 -0.64 1.89 0.25 -0.76 0.00 0.00 175.35 176.09 2qbi n THR 24 N 0.21 0.00 -1.10 2.17 -2.24 -1.26 -0.80 114.28 111.27 2qbi n THR 24 Ca 0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 2qbi n THR 24 Cb 0.40 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 2qbi n THR 24 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qbi n LEU 25 N -0.93 -1.04 0.00 3.22 -0.00 -1.25 -4.11 117.00 112.89 2qbi n LEU 25 Ca 0.19 1.94 0.00 0.00 -0.00 0.00 0.00 56.01 58.14 2qbi n LEU 25 Cb 0.09 -2.06 0.00 0.00 -0.00 0.00 0.00 43.42 41.45 2qbi n LEU 25 CO 0.14 -0.94 0.00 0.61 -0.00 0.00 0.00 177.39 177.20 2qbi n GLY 26 N -2.82 0.66 0.33 -3.96 0.00 -1.26 -3.95 105.19 94.20 2qbi n GLY 26 Ca -0.03 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.16 2qbi n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbi h ARG 27 N 0.00 0.00 0.00 1.61 3.08 -1.99 0.70 114.38 117.78 2qbi h ARG 27 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.65 2qbi h ARG 27 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 2qbi h ARG 27 CO 0.00 0.00 -2.48 1.47 -1.07 0.00 0.00 179.97 177.89 2qbi n LEU 28 N -2.91 2.77 -0.11 3.04 -0.00 -1.25 -4.26 117.00 114.28 2qbi n LEU 28 Ca -0.02 -0.04 -0.05 0.00 -0.00 0.00 0.00 56.01 55.89 2qbi n LEU 28 Cb 0.29 -0.88 0.01 0.00 -0.00 0.00 0.00 43.42 42.84 2qbi n LEU 28 CO 0.15 0.86 0.77 0.00 -0.00 0.00 0.00 177.39 179.17 2qbi h ALA 29 N -0.20 0.19 -0.72 1.47 0.00 -1.12 0.32 119.26 119.20 2qbi h ALA 29 Ca -0.60 0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.57 2qbi h ALA 29 Cb 1.84 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 19.84 2qbi h ALA 29 CO -0.16 -0.49 -0.35 0.00 0.00 0.00 0.00 179.25 178.25 2qbi h THR 30 N -0.05 0.12 0.28 0.00 1.03 0.07 1.00 112.91 115.37 2qbi h THR 30 Ca 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.57 2qbi h THR 30 Cb 0.32 0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 67.52 2qbi h THR 30 CO -0.41 0.00 -0.19 -0.08 -0.01 0.00 0.00 175.52 174.84 2qbi h GLU 31 N -0.11 -0.45 -0.61 0.00 4.57 -1.29 0.31 114.58 117.02 2qbi h GLU 31 Ca 0.27 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.54 2qbi h GLU 31 Cb 0.57 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 29.17 2qbi h GLU 31 CO -0.78 -0.30 -0.45 -0.07 -1.18 0.00 0.00 179.01 176.23 2qbi h LEU 32 N -0.46 -1.61 -0.29 1.64 3.38 0.32 0.43 115.31 118.73 2qbi h LEU 32 Ca -0.03 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.24 2qbi h LEU 32 Cb 0.39 0.69 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 2qbi h LEU 32 CO 0.02 -0.23 -0.25 0.00 0.09 0.00 0.00 178.44 178.07 2qbi h ALA 33 N -0.01 -0.10 -1.06 1.53 0.00 0.12 0.34 119.26 120.08 2qbi h ALA 33 Ca 0.10 0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.38 2qbi h ALA 33 Cb 0.37 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 2qbi h ALA 33 CO -0.63 -0.66 0.70 -0.09 0.00 0.00 0.00 179.25 178.56 2qbi h ARG 34 N -0.23 0.30 0.02 0.00 1.12 0.22 0.36 114.38 116.16 2qbi h ARG 34 Ca 0.15 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 2qbi h ARG 34 Cb 0.47 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 2qbi h ARG 34 CO -0.42 0.20 -0.01 -0.09 -3.11 0.00 0.00 179.97 176.54 2qbi h ARG 35 N 0.31 -0.02 -0.48 0.20 9.65 0.35 -0.32 114.38 124.07 2qbi h ARG 35 Ca 0.58 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.54 2qbi h ARG 35 Cb 1.65 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.21 2qbi h ARG 35 CO -0.24 0.57 0.32 -0.07 2.80 0.00 0.00 179.97 183.35 2qbi h LEU 36 N -0.63 0.27 0.00 3.80 -0.00 0.18 0.12 115.31 119.05 2qbi h LEU 36 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.70 2qbi h LEU 36 Cb 0.60 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 2qbi h LEU 36 CO 0.00 0.17 -0.97 -0.09 -0.00 0.00 0.00 178.44 177.55 2qbi h ARG 37 N 0.31 0.00 0.00 1.13 2.43 -0.44 -3.15 114.38 114.66 2qbi h ARG 37 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2qbi h ARG 37 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2qbi h ARG 37 CO -0.05 0.72 0.00 0.41 -1.51 0.00 0.00 179.97 179.54 2qbi n GLY 38 N 1.34 0.43 0.28 2.80 0.00 -0.17 -3.05 105.19 106.82 2qbi n GLY 38 Ca -0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 2qbi n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbi h LYS 39 N 0.00 0.89 -0.55 1.61 1.63 -1.68 -3.21 116.57 115.27 2qbi h LYS 39 Ca 0.00 -0.33 0.09 0.00 -0.85 0.00 0.00 60.65 59.56 2qbi h LYS 39 Cb 0.90 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.40 2qbi h LYS 39 CO 0.00 0.98 0.17 1.12 -3.45 0.00 0.00 179.45 178.27 2qbi h HIS 40 N 0.79 0.29 0.00 1.91 2.07 -1.93 -3.38 115.15 114.89 2qbi h HIS 40 Ca 0.12 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 2qbi h HIS 40 Cb 0.67 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.61 2qbi h HIS 40 CO 0.04 0.06 0.00 1.63 -3.07 0.00 0.00 177.93 176.59 2qbi n LYS 41 N -5.04 2.63 -2.74 5.12 5.02 -1.21 -4.83 118.16 117.11 2qbi n LYS 41 Ca 0.07 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.97 2qbi n LYS 41 Cb 0.25 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.27 2qbi n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbi n ALA 42 N -3.00 5.76 0.00 7.82 0.00 -1.26 -4.86 120.51 124.97 2qbi n ALA 42 Ca 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.79 2qbi n ALA 42 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2qbi n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbi n GLU 43 N 0.09 0.00 -1.41 0.00 0.00 -1.23 -4.68 120.64 113.41 2qbi n GLU 43 Ca 0.42 0.14 -0.20 0.00 0.00 0.00 0.00 57.16 57.52 2qbi n GLU 43 Cb 0.29 -1.74 -0.20 0.00 0.00 0.00 0.00 31.44 29.78 2qbi n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2qbi n TYR 44 N -1.06 0.00 0.00 4.31 -0.00 -1.26 -3.49 117.16 115.66 2qbi n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2qbi n TYR 44 Cb 0.24 -0.48 0.00 0.00 -0.00 0.00 0.00 39.34 39.10 2qbi n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2qbi n THR 45 N 5.24 0.00 0.25 2.97 5.66 -1.26 -3.03 114.28 124.12 2qbi n THR 45 Ca 0.60 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.67 2qbi n THR 45 Cb 0.16 0.00 0.35 0.00 -1.55 0.00 0.00 70.33 69.29 2qbi n THR 45 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2qbi h PRO 46 N 0.00 0.00 -0.72 1.09 0.11 -1.98 0.28 132.00 130.77 2qbi h PRO 46 Ca 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 2qbi h PRO 46 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.00 2qbi h PRO 46 CO 0.00 0.00 0.23 -2.39 -0.21 0.00 0.00 178.00 175.63 2qbi n HIS 47 N -2.35 2.44 -3.76 0.65 1.44 -1.26 -4.90 115.22 107.48 2qbi n HIS 47 Ca -0.01 -1.13 -0.13 0.00 -2.01 0.00 0.00 57.72 54.45 2qbi n HIS 47 Cb 0.57 -0.67 -0.12 0.00 0.12 0.00 0.00 29.99 29.89 2qbi n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qbi s VAL 48 N -2.96 -0.02 -0.87 0.61 1.01 0.98 -5.06 120.40 114.09 2qbi s VAL 48 Ca 0.56 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 2qbi s VAL 48 Cb 0.44 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.45 2qbi s VAL 48 CO 0.14 0.03 1.73 -0.62 0.00 0.00 0.00 175.10 176.38 2qbi s ASP 49 N 0.61 5.64 0.00 3.32 2.15 -1.26 -4.72 116.67 122.41 2qbi s ASP 49 Ca -0.04 -0.70 0.24 0.00 0.43 0.00 0.00 52.55 52.48 2qbi s ASP 49 Cb -0.05 -2.56 0.22 0.00 -0.30 0.00 0.00 42.92 40.23 2qbi s ASP 49 CO -0.03 -2.26 1.24 0.35 -0.17 0.00 0.00 175.17 174.30 2qbi n THR 50 N 7.35 0.00 -0.74 1.71 -2.24 -1.25 -4.92 114.28 114.18 2qbi n THR 50 Ca 0.31 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 2qbi n THR 50 Cb 0.49 1.09 0.14 0.00 -2.10 0.00 0.00 70.33 69.95 2qbi n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbi n GLY 51 N 1.38 -1.72 0.00 3.38 0.00 -1.17 -4.33 105.19 102.73 2qbi n GLY 51 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2qbi n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbi n ASP 52 N -2.19 0.00 -2.11 1.61 10.43 0.25 -4.21 116.55 120.33 2qbi n ASP 52 Ca 0.07 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.40 2qbi n ASP 52 Cb 0.54 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.56 2qbi n ASP 52 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2qbi n TYR 53 N 0.00 -0.96 -1.70 1.24 4.01 -0.35 -4.69 117.16 114.72 2qbi n TYR 53 Ca 0.00 -1.32 -0.44 0.00 -0.16 0.00 0.00 57.90 55.98 2qbi n TYR 53 Cb 0.00 0.94 -0.03 0.00 -0.31 0.00 0.00 39.34 39.94 2qbi n TYR 53 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2qbi n ILE 54 N -0.85 0.00 -4.07 -0.72 0.13 -1.26 -3.75 119.36 108.83 2qbi n ILE 54 Ca -0.17 -0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.16 2qbi n ILE 54 Cb 0.83 -1.82 -0.16 0.00 -0.84 0.00 0.00 39.64 37.66 2qbi n ILE 54 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 2qbi s ILE 55 N 1.08 1.89 0.97 9.51 -4.36 -1.22 -3.66 121.20 125.40 2qbi s ILE 55 Ca 0.77 -0.94 -0.11 0.00 -0.26 0.00 0.00 60.65 60.10 2qbi s ILE 55 Cb -0.57 -1.78 0.17 0.00 1.25 0.00 0.00 42.46 41.53 2qbi s ILE 55 CO 0.34 0.41 1.09 -0.69 0.24 0.00 0.00 174.94 176.34 2qbi s VAL 56 N 1.34 2.32 0.00 8.37 1.01 -1.24 -2.30 120.40 129.89 2qbi s VAL 56 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2qbi s VAL 56 Cb -0.14 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2qbi s VAL 56 CO -0.11 -0.13 0.00 -0.11 0.00 0.00 0.00 175.10 174.75 2qbi n LEU 57 N -4.28 0.00 0.03 3.92 7.94 0.15 -3.98 117.00 120.78 2qbi n LEU 57 Ca 0.08 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.94 2qbi n LEU 57 Cb 0.54 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.46 2qbi n LEU 57 CO 0.54 0.00 0.50 0.78 -1.11 0.00 0.00 177.39 178.10 2qbi h ASN 58 N 0.00 -0.39 0.00 1.96 4.21 -1.79 -3.32 115.58 116.25 2qbi h ASN 58 Ca 0.00 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2qbi h ASN 58 Cb 0.00 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2qbi h ASN 58 CO 0.00 -0.14 0.00 0.00 -1.29 0.00 0.00 177.43 176.00 2qbi n ALA 59 N -2.54 0.00 0.56 -0.83 0.00 -1.02 -4.09 120.51 112.58 2qbi n ALA 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qbi n ALA 59 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2qbi n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qbi n ASP 60 N 0.92 0.10 -1.17 0.00 5.75 -1.26 -0.51 116.55 120.39 2qbi n ASP 60 Ca 0.00 -0.66 0.03 0.00 -0.01 0.00 0.00 54.79 54.15 2qbi n ASP 60 Cb 0.00 -0.05 0.02 0.00 -1.03 0.00 0.00 41.12 40.06 2qbi n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qbi n LYS 61 N -0.24 0.07 -3.35 0.11 5.02 -1.26 -5.08 118.16 113.43 2qbi n LYS 61 Ca 0.00 -1.76 -0.38 0.00 -2.02 0.00 0.00 58.31 54.15 2qbi n LYS 61 Cb 0.03 -0.22 -0.06 0.00 -0.02 0.00 0.00 35.03 34.76 2qbi n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbi s VAL 62 N -0.14 5.12 1.36 -0.18 0.11 0.34 -4.10 120.40 122.89 2qbi s VAL 62 Ca 0.24 0.95 -0.22 0.00 -2.93 0.00 0.00 61.98 60.02 2qbi s VAL 62 Cb 0.28 -3.80 0.34 0.00 -1.53 0.00 0.00 36.38 31.67 2qbi s VAL 62 CO -0.12 0.40 1.00 0.00 -3.33 0.00 0.00 175.10 173.06 2qbi s ALA 63 N 0.11 -0.19 0.00 1.54 0.00 0.02 -4.92 121.76 118.32 2qbi s ALA 63 Ca 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2qbi s ALA 63 Cb -0.16 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2qbi s ALA 63 CO 0.12 -4.25 0.00 1.55 0.00 0.00 0.00 175.76 173.17 2qbi n VAL 64 N -5.34 0.00 -0.97 0.00 3.14 -1.26 -3.97 118.33 109.93 2qbi n VAL 64 Ca 0.14 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.64 2qbi n VAL 64 Cb 0.60 0.12 -0.06 0.00 -1.06 0.00 0.00 33.84 33.44 2qbi n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2qbi n THR 65 N 0.00 -0.49 -3.74 1.55 5.66 -1.26 -4.83 114.28 111.16 2qbi n THR 65 Ca 0.00 0.57 0.00 0.00 -3.05 0.00 0.00 64.05 61.57 2qbi n THR 65 Cb 0.00 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 2qbi n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbi n GLY 66 N -3.62 -0.37 0.17 1.09 0.00 -1.26 -3.21 105.19 97.99 2qbi n GLY 66 Ca -0.06 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.25 2qbi n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbi n ASN 67 N -3.25 0.49 -0.31 1.61 3.02 -1.26 -4.20 115.26 111.36 2qbi n ASN 67 Ca 0.00 -1.77 0.13 0.00 -0.03 0.00 0.00 54.58 52.92 2qbi n ASN 67 Cb 0.00 -0.05 0.29 0.00 -0.61 0.00 0.00 39.78 39.41 2qbi n ASN 67 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qbi h LYS 68 N 0.58 0.13 -1.42 3.52 1.57 -1.77 1.08 116.57 120.26 2qbi h LYS 68 Ca 0.00 -0.01 0.48 0.00 -1.87 0.00 0.00 60.65 59.25 2qbi h LYS 68 Cb 0.13 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.28 2qbi h LYS 68 CO 0.00 0.08 0.92 -0.09 -0.57 0.00 0.00 179.45 179.79 2qbi h ARG 69 N 0.13 0.02 0.00 3.15 9.65 -1.77 -0.20 114.38 125.36 2qbi h ARG 69 Ca 0.56 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.44 2qbi h ARG 69 Cb 1.16 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 2qbi h ARG 69 CO -0.73 0.01 -0.48 0.25 2.80 0.00 0.00 179.97 181.82 2qbi n THR 70 N -4.67 0.00 -2.47 0.20 -2.24 0.12 -1.51 114.28 103.71 2qbi n THR 70 Ca 0.40 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.62 2qbi n THR 70 Cb 1.58 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 70.57 2qbi n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qbi n ASP 71 N -1.24 5.20 -0.43 3.42 9.92 0.33 -4.88 116.55 128.88 2qbi n ASP 71 Ca 0.00 -3.73 0.00 0.00 -0.53 0.00 0.00 54.79 50.53 2qbi n ASP 71 Cb 0.01 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 2qbi n ASP 71 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2qbi n LYS 72 N -0.44 3.76 0.00 -1.24 0.00 -0.87 -4.49 118.16 114.88 2qbi n LYS 72 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.71 2qbi n LYS 72 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 2qbi n LYS 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qbi n VAL 73 N 0.00 0.00 -2.40 3.15 0.24 -1.26 -4.80 118.33 113.26 2qbi n VAL 73 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2qbi n VAL 73 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2qbi n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qbi n TYR 74 N 0.00 -1.82 -3.41 6.34 0.53 -1.26 -2.96 117.16 114.58 2qbi n TYR 74 Ca 0.00 0.70 -0.25 0.00 -1.02 0.00 0.00 57.90 57.33 2qbi n TYR 74 Cb 0.00 -3.05 -0.02 0.00 -1.03 0.00 0.00 39.34 35.25 2qbi n TYR 74 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 2qbi s TYR 75 N -2.81 3.50 -0.29 -0.72 2.02 -1.26 -2.65 117.35 115.13 2qbi s TYR 75 Ca 0.03 0.38 -0.22 0.00 -0.37 0.00 0.00 57.07 56.88 2qbi s TYR 75 Cb -0.01 -1.91 0.17 0.00 -0.40 0.00 0.00 41.96 39.81 2qbi s TYR 75 CO 0.45 0.15 1.23 -3.38 -1.57 0.00 0.00 175.55 172.43 2qbi s HIS 76 N -2.24 -0.25 0.04 2.71 -3.43 -0.39 -4.99 115.29 106.75 2qbi s HIS 76 Ca 0.40 0.57 -0.03 0.00 -0.80 0.00 0.00 55.06 55.20 2qbi s HIS 76 Cb -0.10 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.37 2qbi s HIS 76 CO 0.35 -0.12 0.24 -1.58 -2.00 0.00 0.00 174.74 171.63 2qbi s HIS 77 N 0.43 3.53 0.08 0.38 2.46 -1.26 0.17 115.29 121.08 2qbi s HIS 77 Ca 0.01 0.40 0.08 0.00 0.47 0.00 0.00 55.06 56.03 2qbi s HIS 77 Cb -0.04 -1.87 -0.16 0.00 -0.13 0.00 0.00 32.58 30.37 2qbi s HIS 77 CO -0.12 0.59 1.31 1.79 -2.47 0.00 0.00 174.74 175.84 2qbi h THR 78 N 2.50 1.58 0.00 0.89 1.35 -1.89 -3.46 112.91 113.88 2qbi h THR 78 Ca -0.47 -3.22 0.00 0.00 -0.55 0.00 0.00 66.41 62.16 2qbi h THR 78 Cb 1.18 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 70.37 2qbi h THR 78 CO 0.71 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 177.49 2qbi n GLY 79 N 1.32 0.94 3.64 5.82 0.00 -1.26 -5.06 105.19 110.59 2qbi n GLY 79 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2qbi n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbi s HIS 80 N -2.00 2.53 0.00 1.61 3.76 -1.26 -5.06 115.29 114.87 2qbi s HIS 80 Ca 0.00 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 2qbi s HIS 80 Cb 0.00 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.95 2qbi s HIS 80 CO 0.00 0.41 0.00 1.51 -0.85 0.00 0.00 174.74 175.81 2qbi n ILE 81 N -1.01 0.00 -0.07 0.60 3.06 -1.26 -3.58 119.36 117.10 2qbi n ILE 81 Ca -0.04 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.15 2qbi n ILE 81 Cb 0.65 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.81 2qbi n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qbi n GLY 82 N -0.09 -0.61 7.00 4.50 0.00 -1.26 -4.96 105.19 109.77 2qbi n GLY 82 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2qbi n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 83 N 1.51 1.41 3.08 -0.02 0.00 -1.23 -4.83 105.19 105.10 2qbi n GLY 83 Ca -0.10 0.61 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 2qbi n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbi n ILE 84 N 0.00 -2.98 -3.46 -0.61 0.13 -1.26 -4.86 119.36 106.32 2qbi n ILE 84 Ca 0.00 0.13 -0.26 0.00 -1.10 0.00 0.00 62.75 61.52 2qbi n ILE 84 Cb 0.00 -2.91 -0.02 0.00 -0.84 0.00 0.00 39.64 35.87 2qbi n ILE 84 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2qbi s LYS 85 N -1.86 3.53 0.05 9.51 -0.14 0.13 -4.91 119.74 126.06 2qbi s LYS 85 Ca 0.27 -0.25 -0.14 0.00 -1.36 0.00 0.00 55.97 54.49 2qbi s LYS 85 Cb -0.03 -2.71 0.02 0.00 -1.68 0.00 0.00 37.83 33.43 2qbi s LYS 85 CO 0.61 0.24 0.31 1.14 -0.76 0.00 0.00 175.35 176.89 2qbi s GLN 86 N -3.84 0.84 -0.27 1.68 -2.07 -1.26 -1.26 119.66 113.48 2qbi s GLN 86 Ca 0.40 -0.55 -0.07 0.00 -1.82 0.00 0.00 55.36 53.33 2qbi s GLN 86 Cb -0.10 0.36 0.13 0.00 -1.09 0.00 0.00 33.01 32.31 2qbi s GLN 86 CO 0.32 -0.28 0.56 0.00 -1.32 0.00 0.00 175.29 174.58 2qbi s ALA 87 N -2.74 -1.79 0.75 2.60 0.00 -1.08 -5.03 121.76 114.47 2qbi s ALA 87 Ca -0.04 1.94 -0.14 0.00 0.00 0.00 0.00 51.96 53.72 2qbi s ALA 87 Cb -0.00 -1.73 0.05 0.00 0.00 0.00 0.00 23.12 21.44 2qbi s ALA 87 CO -0.05 -0.98 1.19 -0.08 0.00 0.00 0.00 175.76 175.84 2qbi s THR 88 N 2.79 2.38 0.17 0.00 -1.32 -1.22 -4.23 115.64 114.21 2qbi s THR 88 Ca 0.01 0.17 -0.20 0.00 -1.21 0.00 0.00 61.69 60.47 2qbi s THR 88 Cb -0.13 -2.67 0.08 0.00 -1.51 0.00 0.00 72.50 68.28 2qbi s THR 88 CO -0.18 -0.11 1.29 0.33 -2.21 0.00 0.00 174.62 173.74 2qbi n PHE 89 N -2.93 -0.15 -0.22 9.09 -0.00 -1.26 0.27 117.46 122.25 2qbi n PHE 89 Ca 0.13 1.03 -0.03 0.00 -0.00 0.00 0.00 57.45 58.58 2qbi n PHE 89 Cb 0.51 -0.70 0.03 0.00 -0.00 0.00 0.00 39.48 39.31 2qbi n PHE 89 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2qbi h GLU 90 N 0.00 -0.11 -0.31 -4.13 4.81 -1.53 -0.06 114.58 113.25 2qbi h GLU 90 Ca 0.22 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 2qbi h GLU 90 Cb 0.43 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2qbi h GLU 90 CO -0.81 -0.07 0.02 0.93 -0.73 0.00 0.00 179.01 178.35 2qbi h GLU 91 N -0.11 0.12 -0.56 1.92 5.08 -0.49 -2.15 114.58 118.40 2qbi h GLU 91 Ca 0.27 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.72 2qbi h GLU 91 Cb 0.55 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 2qbi h GLU 91 CO -0.71 0.08 0.09 0.52 -1.00 0.00 0.00 179.01 177.99 2qbi h MET 92 N 0.12 0.21 -0.68 2.33 2.86 -0.17 -1.28 114.93 118.33 2qbi h MET 92 Ca 0.15 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.85 2qbi h MET 92 Cb 0.19 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 2qbi h MET 92 CO -0.23 0.14 0.36 0.82 1.06 0.00 0.00 176.91 179.05 2qbi h ILE 93 N 0.21 0.92 -0.78 -1.22 5.03 -0.62 -2.73 117.51 118.31 2qbi h ILE 93 Ca 0.29 -0.22 0.11 0.00 -0.12 0.00 0.00 64.86 64.91 2qbi h ILE 93 Cb 0.42 0.22 -0.12 0.00 -3.03 0.00 0.00 36.82 34.31 2qbi h ILE 93 CO -0.40 0.12 -0.46 0.00 -0.68 0.00 0.00 178.15 176.73 2qbi h ALA 94 N 1.38 -0.25 -3.36 1.87 0.00 -0.71 -3.37 119.26 114.80 2qbi h ALA 94 Ca 0.32 0.16 -0.49 0.00 0.00 0.00 0.00 54.91 54.89 2qbi h ALA 94 Cb 0.26 1.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.77 2qbi h ALA 94 CO -0.22 -0.81 -0.80 -0.98 0.00 0.00 0.00 179.25 176.45 2qbi s ARG 95 N -5.79 1.42 -0.84 0.00 1.04 -1.03 -4.88 118.95 108.86 2qbi s ARG 95 Ca -0.14 -0.28 -0.03 0.00 -1.04 0.00 0.00 55.73 54.24 2qbi s ARG 95 Cb 0.15 -1.30 -0.03 0.00 -2.04 0.00 0.00 34.95 31.72 2qbi s ARG 95 CO 0.67 -0.08 0.76 0.54 -0.04 0.00 0.00 175.30 177.14 2qbi n ARG 96 N 4.19 -1.67 0.24 3.89 1.74 -1.25 -4.73 116.66 119.07 2qbi n ARG 96 Ca -0.20 1.14 0.11 0.00 -0.77 0.00 0.00 57.85 58.13 2qbi n ARG 96 Cb 0.51 -5.55 0.57 0.00 -1.02 0.00 0.00 32.46 26.97 2qbi n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qbi h PRO 97 N -0.27 0.00 -0.82 5.56 0.11 -1.72 -3.27 132.00 131.59 2qbi h PRO 97 Ca -0.28 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.98 2qbi h PRO 97 Cb 1.14 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.10 2qbi h PRO 97 CO 0.35 0.19 -0.28 0.93 -0.21 0.00 0.00 178.00 178.97 2qbi h GLU 98 N 0.00 -0.04 -0.85 1.05 3.07 -1.90 0.26 114.58 116.16 2qbi h GLU 98 Ca -0.00 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 59.08 2qbi h GLU 98 Cb 0.59 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.46 2qbi h GLU 98 CO 0.02 -0.03 0.59 0.00 -1.40 0.00 0.00 179.01 178.20 2qbi h ARG 99 N -0.04 0.18 -0.49 2.33 3.08 -1.96 0.18 114.38 117.66 2qbi h ARG 99 Ca 0.35 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.53 2qbi h ARG 99 Cb 0.60 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2qbi h ARG 99 CO -0.85 0.12 0.58 0.28 -1.07 0.00 0.00 179.97 179.03 2qbi h VAL 100 N 0.19 0.27 0.00 2.04 2.07 -0.71 0.22 116.25 120.33 2qbi h VAL 100 Ca 0.42 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.60 2qbi h VAL 100 Cb 1.37 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2qbi h VAL 100 CO -0.09 0.00 -2.17 -0.38 0.02 0.00 0.00 177.57 174.96 2qbi n ILE 101 N -3.55 1.15 -0.29 4.57 2.08 0.53 -3.60 119.36 120.26 2qbi n ILE 101 Ca 0.09 -0.34 0.11 0.00 0.56 0.00 0.00 62.75 63.18 2qbi n ILE 101 Cb 0.77 -1.62 0.27 0.00 -0.75 0.00 0.00 39.64 38.31 2qbi n ILE 101 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2qbi h GLU 102 N -0.54 0.35 0.13 0.38 5.08 -0.40 0.78 114.58 120.35 2qbi h GLU 102 Ca -0.51 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 57.53 2qbi h GLU 102 Cb 1.53 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 2qbi h GLU 102 CO -0.25 0.23 -1.42 -0.84 -1.00 0.00 0.00 179.01 175.73 2qbi h ILE 103 N 0.36 1.29 0.00 3.13 -0.00 -0.83 0.14 117.51 121.60 2qbi h ILE 103 Ca 0.52 -2.90 -0.01 0.00 -0.00 0.00 0.00 64.86 62.48 2qbi h ILE 103 Cb 0.97 2.85 -0.00 0.00 -0.00 0.00 0.00 36.82 40.63 2qbi h ILE 103 CO -0.53 0.85 -0.03 0.00 -0.00 0.00 0.00 178.15 178.43 2qbi h ALA 104 N 0.51 1.56 0.00 0.16 0.00 -1.01 0.15 119.26 120.63 2qbi h ALA 104 Ca -0.20 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 2qbi h ALA 104 Cb 2.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 2qbi h ALA 104 CO 0.18 0.04 -2.19 1.33 0.00 0.00 0.00 179.25 178.62 2qbi n VAL 105 N -3.94 0.91 0.33 0.00 0.24 0.25 -3.85 118.33 112.27 2qbi n VAL 105 Ca -0.03 -0.73 0.15 0.00 -2.04 0.00 0.00 64.34 61.69 2qbi n VAL 105 Cb 0.12 -0.33 0.55 0.00 -1.47 0.00 0.00 33.84 32.71 2qbi n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2qbi h LYS 106 N 0.00 0.00 0.00 7.34 1.63 0.42 -1.09 116.57 124.87 2qbi h LYS 106 Ca -0.34 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.22 2qbi h LYS 106 Cb 1.78 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.37 2qbi h LYS 106 CO 0.02 0.00 -1.39 0.78 -3.45 0.00 0.00 179.45 175.41 2qbi h GLY 107 N 2.55 0.00 1.74 5.01 0.00 -0.90 -3.29 103.07 108.19 2qbi h GLY 107 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2qbi h GLY 107 CO 0.00 0.00 -0.78 -0.33 0.00 0.00 0.00 176.54 175.43 2qbi h MET 108 N 0.00 0.24 -7.13 4.80 2.86 -1.53 -3.45 114.93 110.72 2qbi h MET 108 Ca -0.17 -0.22 -0.50 0.00 -2.06 0.00 0.00 59.70 56.75 2qbi h MET 108 Cb 1.87 0.05 0.08 0.00 0.06 0.00 0.00 31.60 33.67 2qbi h MET 108 CO 0.09 0.90 0.41 -0.51 1.06 0.00 0.00 176.91 178.86 2qbi s LEU 109 N -7.66 3.61 0.58 1.22 1.43 -0.46 -5.03 118.68 112.38 2qbi s LEU 109 Ca -0.04 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.11 2qbi s LEU 109 Cb 0.11 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.79 2qbi s LEU 109 CO 0.82 -1.33 0.85 -2.16 0.23 0.00 0.00 176.35 174.76 2qbi s PRO 110 N -3.61 2.66 0.00 1.29 0.04 -1.26 -4.96 135.00 129.16 2qbi s PRO 110 Ca 0.70 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2qbi s PRO 110 Cb -0.22 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2qbi s PRO 110 CO 0.32 -0.75 0.00 1.63 0.04 0.00 0.00 177.00 178.24 2qbi n LYS 111 N -2.50 0.00 0.02 4.56 4.01 -1.26 -3.48 118.16 119.52 2qbi n LYS 111 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 2qbi n LYS 111 Cb 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 2qbi n LYS 111 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbi n GLY 112 N 0.00 -0.05 0.47 0.72 0.00 -1.26 -4.63 105.19 100.45 2qbi n GLY 112 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2qbi n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qbi h PRO 113 N 0.00 -0.89 0.13 1.61 0.13 -1.99 -1.53 132.00 129.46 2qbi h PRO 113 Ca 0.00 0.06 -0.22 0.00 -0.87 0.00 0.00 66.00 64.97 2qbi h PRO 113 Cb 0.14 0.20 0.01 0.00 0.13 0.00 0.00 31.00 31.48 2qbi h PRO 113 CO 0.00 -0.59 -1.06 1.25 -0.23 0.00 0.00 178.00 177.37 2qbi h LEU 114 N -0.92 0.44 -0.45 1.56 5.85 -1.93 -3.11 115.31 116.76 2qbi h LEU 114 Ca -0.05 -0.91 0.05 0.00 0.84 0.00 0.00 57.88 57.81 2qbi h LEU 114 Cb 0.81 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 2qbi h LEU 114 CO -0.09 1.49 -0.39 1.23 -0.34 0.00 0.00 178.44 180.33 2qbi h GLY 115 N -0.20 -1.37 1.00 3.75 0.00 -1.62 0.31 103.07 104.94 2qbi h GLY 115 Ca -0.21 0.82 0.05 0.00 0.00 0.00 0.00 47.33 47.99 2qbi h GLY 115 CO 0.11 -0.31 0.55 -0.09 0.00 0.00 0.00 176.54 176.80 2qbi h ARG 116 N -0.16 0.96 -0.08 4.80 9.65 -1.44 0.11 114.38 128.22 2qbi h ARG 116 Ca 0.07 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.92 2qbi h ARG 116 Cb 0.35 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2qbi h ARG 116 CO -0.50 0.64 0.18 0.00 2.80 0.00 0.00 179.97 183.08 2qbi h ALA 117 N 1.53 1.43 0.00 2.80 0.00 -0.43 0.11 119.26 124.71 2qbi h ALA 117 Ca 0.34 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 2qbi h ALA 117 Cb 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2qbi h ALA 117 CO -0.11 -0.22 -1.83 -1.33 0.00 0.00 0.00 179.25 175.76 2qbi n MET 118 N -3.33 0.65 -0.10 0.00 2.81 0.32 -4.31 117.12 113.18 2qbi n MET 118 Ca -0.01 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.77 2qbi n MET 118 Cb 0.26 -1.64 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 2qbi n MET 118 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 2qbi h PHE 119 N 0.00 0.94 -0.50 2.03 3.04 0.01 -3.07 116.94 119.39 2qbi h PHE 119 Ca -0.21 -0.29 0.15 0.00 3.98 0.00 0.00 57.97 61.60 2qbi h PHE 119 Cb 1.54 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.84 2qbi h PHE 119 CO 0.00 1.07 0.53 0.07 -2.02 0.00 0.00 178.31 177.96 2qbi h ARG 120 N 0.54 0.00 0.46 1.11 0.11 -1.54 -2.06 114.38 113.00 2qbi h ARG 120 Ca 0.04 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 2qbi h ARG 120 Cb 0.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2qbi h ARG 120 CO 0.08 0.00 -0.22 0.87 0.10 0.00 0.00 179.97 180.80 2qbi h LYS 121 N 0.00 -0.60 -6.53 0.08 1.57 -1.76 -3.43 116.57 105.90 2qbi h LYS 121 Ca 0.24 0.04 -0.59 0.00 -1.87 0.00 0.00 60.65 58.47 2qbi h LYS 121 Cb 1.30 0.14 0.07 0.00 0.08 0.00 0.00 32.23 33.82 2qbi h LYS 121 CO -0.00 -0.40 0.69 -0.11 -0.57 0.00 0.00 179.45 179.06 2qbi n LEU 122 N -3.93 3.01 0.00 2.94 0.00 -0.78 -4.87 117.00 113.38 2qbi n LEU 122 Ca -0.08 1.11 0.00 0.00 0.00 0.00 0.00 56.01 57.05 2qbi n LEU 122 Cb 0.25 -1.41 0.00 0.00 0.00 0.00 0.00 43.42 42.25 2qbi n LEU 122 CO 0.19 -0.43 0.00 0.29 0.00 0.00 0.00 177.39 177.44 2qbi n LYS 123 N 2.71 3.51 0.00 1.96 4.01 -1.24 -4.98 118.16 124.12 2qbi n LYS 123 Ca 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 2qbi n LYS 123 Cb 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.81 2qbi n LYS 123 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2qbi n VAL 124 N 0.00 0.00 -0.21 -0.18 0.24 -1.26 -3.72 118.33 113.21 2qbi n VAL 124 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 2qbi n VAL 124 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2qbi n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qbi n TYR 125 N -1.18 -0.55 -0.03 6.34 4.01 -1.26 -3.08 117.16 121.40 2qbi n TYR 125 Ca 0.00 0.29 -0.09 0.00 -0.16 0.00 0.00 57.90 57.94 2qbi n TYR 125 Cb 0.00 -0.50 -0.08 0.00 -0.31 0.00 0.00 39.34 38.45 2qbi n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qbi h ALA 126 N -0.20 -0.05 0.00 -0.72 0.00 -1.78 -3.42 119.26 113.08 2qbi h ALA 126 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qbi h ALA 126 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qbi h ALA 126 CO 0.01 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2qbi n GLY 127 N 1.39 0.95 2.38 0.00 0.00 -1.25 -4.05 105.19 104.61 2qbi n GLY 127 Ca -0.07 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 2qbi n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbi n ASN 128 N 0.00 -3.62 -3.09 1.61 3.02 -1.26 -4.81 115.26 107.11 2qbi n ASN 128 Ca 0.00 -0.25 0.05 0.00 -0.03 0.00 0.00 54.58 54.35 2qbi n ASN 128 Cb 0.00 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 2qbi n ASN 128 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2qbi s GLU 129 N -5.41 0.21 -0.12 3.52 4.04 -1.26 -5.11 118.70 114.57 2qbi s GLU 129 Ca 0.22 0.13 0.02 0.00 0.04 0.00 0.00 54.97 55.37 2qbi s GLU 129 Cb -0.10 0.08 -0.01 0.00 0.02 0.00 0.00 34.13 34.12 2qbi s GLU 129 CO 0.33 -0.37 -0.18 -3.38 -1.84 0.00 0.00 175.26 169.82 2qbi s HIS 130 N 2.74 2.70 -0.06 4.83 -3.43 -1.26 -4.70 115.29 116.12 2qbi s HIS 130 Ca 0.23 -0.88 0.00 0.00 -0.80 0.00 0.00 55.06 53.62 2qbi s HIS 130 Cb -0.02 -1.80 0.07 0.00 -1.43 0.00 0.00 32.58 29.40 2qbi s HIS 130 CO -0.21 -0.34 1.41 0.09 -2.00 0.00 0.00 174.74 173.69 2qbi n ASN 131 N 3.61 3.95 -0.31 7.38 3.02 -1.26 -3.71 115.26 127.95 2qbi n ASN 131 Ca -0.19 -2.31 0.03 0.00 -0.03 0.00 0.00 54.58 52.08 2qbi n ASN 131 Cb 0.53 -0.74 0.07 0.00 -0.61 0.00 0.00 39.78 39.03 2qbi n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qbi n HIS 132 N 0.63 0.21 -0.37 3.10 8.25 -1.26 -4.74 115.22 121.03 2qbi n HIS 132 Ca 0.07 -0.46 0.35 0.00 -0.26 0.00 0.00 57.72 57.42 2qbi n HIS 132 Cb 0.59 -0.04 0.62 0.00 1.12 0.00 0.00 29.99 32.29 2qbi n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbi n ALA 133 N 0.03 1.15 0.00 -1.41 0.00 -1.24 0.14 120.51 119.17 2qbi n ALA 133 Ca 0.06 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.45 2qbi n ALA 133 Cb 0.32 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2qbi n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 134 N -2.36 0.79 0.56 0.00 0.00 -1.26 0.40 120.51 118.64 2qbi n ALA 134 Ca 0.39 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.88 2qbi n ALA 134 Cb 1.38 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 20.16 2qbi n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbi n GLN 135 N -1.03 2.84 -3.77 0.00 3.00 0.12 -5.04 117.38 113.51 2qbi n GLN 135 Ca 0.00 -0.14 -0.35 0.00 -0.01 0.00 0.00 57.00 56.50 2qbi n GLN 135 Cb 0.08 -1.08 0.04 0.00 0.00 0.00 0.00 30.24 29.28 2qbi n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qbi n GLN 136 N -1.06 -0.99 -2.46 -1.09 6.02 0.16 -4.91 117.38 113.05 2qbi n GLN 136 Ca 0.03 0.38 -0.41 0.00 -0.01 0.00 0.00 57.00 56.99 2qbi n GLN 136 Cb 0.20 -3.75 -0.04 0.00 1.02 0.00 0.00 30.24 27.67 2qbi n GLN 136 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2qbi s PRO 137 N -6.28 4.58 -0.17 -1.09 0.02 -1.26 -4.96 135.00 125.83 2qbi s PRO 137 Ca 0.48 1.78 -0.27 0.00 0.02 0.00 0.00 61.00 63.01 2qbi s PRO 137 Cb -0.19 -3.24 -0.01 0.00 0.02 0.00 0.00 34.50 31.08 2qbi s PRO 137 CO 0.89 0.06 0.92 -0.65 -0.33 0.00 0.00 177.00 177.88 2qbi s GLN 138 N -0.60 4.31 0.88 5.54 -0.21 -1.17 -4.60 119.66 123.81 2qbi s GLN 138 Ca 0.49 1.17 -0.16 0.00 0.02 0.00 0.00 55.36 56.88 2qbi s GLN 138 Cb -0.31 -3.59 -0.08 0.00 1.00 0.00 0.00 33.01 30.03 2qbi s GLN 138 CO 0.37 -0.40 -0.17 1.33 -2.12 0.00 0.00 175.29 174.30 2qbi n VAL 139 N 4.86 0.30 -4.31 1.09 0.24 -1.26 -3.49 118.33 115.76 2qbi n VAL 139 Ca 0.07 -0.40 -0.19 0.00 -2.04 0.00 0.00 64.34 61.78 2qbi n VAL 139 Cb 0.48 -0.29 -0.13 0.00 -1.47 0.00 0.00 33.84 32.42 2qbi n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qbi s LEU 140 N 3.77 2.17 -0.85 1.34 0.20 -0.77 -4.77 118.68 119.76 2qbi s LEU 140 Ca 0.51 -0.44 -0.24 0.00 0.69 0.00 0.00 54.13 54.65 2qbi s LEU 140 Cb -0.26 -0.53 0.05 0.00 -0.43 0.00 0.00 46.19 45.03 2qbi s LEU 140 CO 0.72 0.01 1.29 -1.81 -0.29 0.00 0.00 176.35 176.27 2qbi s ASP 141 N -1.10 6.33 0.00 3.68 -0.00 -1.26 -4.81 116.67 119.51 2qbi s ASP 141 Ca 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 52.55 51.53 2qbi s ASP 141 Cb -0.08 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.31 2qbi s ASP 141 CO 0.01 -1.60 0.00 -0.38 -0.00 0.00 0.00 175.17 173.20