#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe n LYS 2 N 0.00 0.00 -3.18 2.12 2.85 -1.26 -5.16 118.16 113.54 2qbe n LYS 2 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 2qbe n LYS 2 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 2qbe n LYS 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2qbe s THR 3 N -1.99 -0.70 0.02 0.58 -4.23 -1.26 -5.14 115.64 102.92 2qbe s THR 3 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 2qbe s THR 3 Cb 0.00 -1.00 -0.08 0.00 1.34 0.00 0.00 72.50 72.76 2qbe s THR 3 CO 0.00 0.00 0.39 0.33 -0.54 0.00 0.00 174.62 174.80 2qbe n PHE 4 N 5.43 0.14 -3.74 3.99 -0.00 -1.26 -4.96 117.46 117.06 2qbe n PHE 4 Ca -0.04 0.44 -0.30 0.00 -0.00 0.00 0.00 57.45 57.55 2qbe n PHE 4 Cb 0.52 -0.88 -0.15 0.00 -0.00 0.00 0.00 39.48 38.97 2qbe n PHE 4 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 2qbe s THR 5 N -0.11 0.90 -0.43 -2.13 -1.32 -1.26 -4.81 115.64 106.47 2qbe s THR 5 Ca 0.36 -1.39 -0.45 0.00 -1.21 0.00 0.00 61.69 59.01 2qbe s THR 5 Cb -0.50 -1.67 -0.18 0.00 -1.51 0.00 0.00 72.50 68.64 2qbe s THR 5 CO 0.24 -0.65 1.69 0.00 -2.21 0.00 0.00 174.62 173.69 2qbe n ALA 6 N 4.84 -0.86 -2.52 11.08 0.00 -1.12 -4.90 120.51 127.03 2qbe n ALA 6 Ca -0.02 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 2qbe n ALA 6 Cb 0.42 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 2qbe n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qbe s LYS 7 N 3.42 4.56 0.66 0.00 -0.14 -1.26 -4.83 119.74 122.15 2qbe s LYS 7 Ca 1.04 1.24 0.24 0.00 -1.36 0.00 0.00 55.97 57.13 2qbe s LYS 7 Cb -1.36 -3.41 1.30 0.00 -1.68 0.00 0.00 37.83 32.68 2qbe s LYS 7 CO 0.76 0.12 1.73 -1.35 -0.76 0.00 0.00 175.35 175.85 2qbe h PRO 8 N 6.19 0.00 0.01 -1.68 0.11 -1.95 -1.53 132.00 133.16 2qbe h PRO 8 Ca -0.42 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.50 2qbe h PRO 8 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2qbe h PRO 8 CO 0.73 0.00 -1.00 0.93 -0.21 0.00 0.00 178.00 178.45 2qbe h GLU 9 N 0.00 0.03 -2.14 1.05 3.07 -1.99 -3.38 114.58 111.23 2qbe h GLU 9 Ca 0.01 -0.05 -0.31 0.00 -0.50 0.00 0.00 59.36 58.51 2qbe h GLU 9 Cb 0.96 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.82 2qbe h GLU 9 CO -0.00 1.02 0.32 0.25 -1.40 0.00 0.00 179.01 179.20 2qbe n THR 10 N -4.40 3.27 -3.86 1.13 -2.24 -0.58 -4.89 114.28 102.70 2qbe n THR 10 Ca -0.26 -1.94 -0.21 0.00 -2.27 0.00 0.00 64.05 59.37 2qbe n THR 10 Cb 0.66 -2.01 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 2qbe n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qbe s VAL 11 N 0.58 4.43 -0.22 2.28 1.01 -1.22 -4.60 120.40 122.64 2qbe s VAL 11 Ca 0.66 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 2qbe s VAL 11 Cb 0.31 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 2qbe s VAL 11 CO -0.04 -0.26 -0.31 2.29 0.00 0.00 0.00 175.10 176.78 2qbe n LYS 12 N -1.39 0.50 0.00 2.72 2.85 -1.26 -5.01 118.16 116.56 2qbe n LYS 12 Ca -0.05 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 2qbe n LYS 12 Cb 0.58 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 2qbe n LYS 12 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbe n ARG 13 N -4.11 0.00 -0.59 -1.58 5.12 -1.26 -4.91 116.66 109.33 2qbe n ARG 13 Ca -0.42 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 2qbe n ARG 13 Cb 0.78 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.08 2qbe n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2qbe n ASP 14 N 3.55 -3.92 -4.95 0.55 10.43 -1.26 -3.21 116.55 117.74 2qbe n ASP 14 Ca 0.00 0.46 -0.24 0.00 2.57 0.00 0.00 54.79 57.58 2qbe n ASP 14 Cb 0.00 -1.11 -0.02 0.00 1.84 0.00 0.00 41.12 41.83 2qbe n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 2qbe s TRP 15 N -2.30 3.47 0.26 1.24 0.52 -1.26 0.95 118.94 121.83 2qbe s TRP 15 Ca 0.00 0.16 -0.13 0.00 0.02 0.00 0.00 56.10 56.15 2qbe s TRP 15 Cb 0.00 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.60 2qbe s TRP 15 CO 0.00 0.35 0.52 0.71 0.02 0.00 0.00 176.95 178.55 2qbe s TYR 16 N -2.02 0.34 -0.23 -1.98 1.51 -1.25 -3.41 117.35 110.30 2qbe s TYR 16 Ca 0.36 -0.71 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2qbe s TYR 16 Cb -0.10 0.26 0.10 0.00 -0.11 0.00 0.00 41.96 42.11 2qbe s TYR 16 CO 0.31 -1.06 0.20 0.08 -1.11 0.00 0.00 175.55 173.97 2qbe s VAL 17 N -3.87 -0.27 0.17 0.71 1.01 -0.98 -2.92 120.40 114.25 2qbe s VAL 17 Ca 0.21 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.96 2qbe s VAL 17 Cb -0.01 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2qbe s VAL 17 CO 0.10 -0.36 -0.03 0.54 0.00 0.00 0.00 175.10 175.35 2qbe s VAL 18 N 2.27 3.59 -0.17 2.92 0.11 -0.93 -1.95 120.40 126.23 2qbe s VAL 18 Ca 0.07 -1.46 -0.00 0.00 -2.93 0.00 0.00 61.98 57.66 2qbe s VAL 18 Cb -0.15 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 2qbe s VAL 18 CO -0.20 -0.09 -0.15 -0.62 -3.33 0.00 0.00 175.10 170.70 2qbe s ASP 19 N -2.87 3.57 -1.05 3.54 3.68 -1.26 0.46 116.67 122.74 2qbe s ASP 19 Ca 0.26 -0.52 -0.02 0.00 2.13 0.00 0.00 52.55 54.41 2qbe s ASP 19 Cb -0.09 -1.56 0.30 0.00 -1.45 0.00 0.00 42.92 40.11 2qbe s ASP 19 CO 0.18 0.05 1.92 0.00 0.13 0.00 0.00 175.17 177.44 2qbe n ALA 20 N 4.33 6.20 -1.15 3.66 0.00 -1.26 -4.73 120.51 127.55 2qbe n ALA 20 Ca -0.19 -4.50 0.00 0.00 0.00 0.00 0.00 53.44 48.74 2qbe n ALA 20 Cb 0.51 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2qbe n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qbe n THR 21 N 0.13 0.00 0.36 0.00 -1.04 -1.26 -2.24 114.28 110.23 2qbe n THR 21 Ca 0.49 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.60 2qbe n THR 21 Cb 0.26 -0.35 0.41 0.00 -1.82 0.00 0.00 70.33 68.83 2qbe n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbe n GLY 22 N 2.68 -1.07 3.49 3.41 0.00 -1.26 -3.31 105.19 109.12 2qbe n GLY 22 Ca 0.00 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2qbe n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbe n LYS 23 N -1.96 0.32 -0.05 1.61 4.76 -1.26 -4.46 118.16 117.12 2qbe n LYS 23 Ca 0.02 0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.73 2qbe n LYS 23 Cb 0.16 -1.89 0.20 0.00 -1.84 0.00 0.00 35.03 31.66 2qbe n LYS 23 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qbe n THR 24 N -2.43 0.12 -1.19 -0.18 -2.24 -1.26 0.15 114.28 107.26 2qbe n THR 24 Ca 0.10 -0.51 0.05 0.00 -2.27 0.00 0.00 64.05 61.43 2qbe n THR 24 Cb 0.50 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 2qbe n THR 24 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qbe n LEU 25 N 1.15 -1.13 0.00 3.22 -0.00 -1.19 -3.91 117.00 115.14 2qbe n LEU 25 Ca 0.16 2.11 0.00 0.00 -0.00 0.00 0.00 56.01 58.28 2qbe n LEU 25 Cb 0.55 -2.28 0.00 0.00 -0.00 0.00 0.00 43.42 41.69 2qbe n LEU 25 CO 0.15 -1.01 0.00 0.61 -0.00 0.00 0.00 177.39 177.14 2qbe n GLY 26 N -2.89 1.22 0.00 -3.96 0.00 -1.26 -4.04 105.19 94.26 2qbe n GLY 26 Ca -0.03 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2qbe n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbe n ARG 27 N 0.00 0.03 -0.06 1.61 1.74 -1.26 -0.94 116.66 117.78 2qbe n ARG 27 Ca 0.00 0.27 -0.07 0.00 -0.77 0.00 0.00 57.85 57.28 2qbe n ARG 27 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2qbe n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qbe n LEU 28 N -1.46 1.74 -0.37 0.55 0.00 -1.26 -4.32 117.00 111.88 2qbe n LEU 28 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 56.01 56.03 2qbe n LEU 28 Cb 0.14 -0.16 0.17 0.00 0.00 0.00 0.00 43.42 43.57 2qbe n LEU 28 CO 0.11 0.52 1.26 0.00 0.00 0.00 0.00 177.39 179.29 2qbe h ALA 29 N 0.21 1.38 0.06 1.96 0.00 -1.71 0.28 119.26 121.44 2qbe h ALA 29 Ca -0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2qbe h ALA 29 Cb 1.52 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2qbe h ALA 29 CO -0.02 0.45 -0.15 0.00 0.00 0.00 0.00 179.25 179.53 2qbe h THR 30 N 1.18 0.64 -0.00 0.00 1.03 -1.27 0.49 112.91 114.97 2qbe h THR 30 Ca 0.43 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.85 2qbe h THR 30 Cb 0.15 0.64 -0.03 0.00 -1.07 0.00 0.00 68.15 67.84 2qbe h THR 30 CO -0.17 0.00 -0.13 -0.08 -0.01 0.00 0.00 175.52 175.13 2qbe h GLU 31 N -0.29 -0.21 0.00 0.00 4.57 -1.46 0.68 114.58 117.87 2qbe h GLU 31 Ca 0.03 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2qbe h GLU 31 Cb 0.32 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2qbe h GLU 31 CO -0.11 -0.14 0.00 1.28 -1.18 0.00 0.00 179.01 178.86 2qbe n LEU 32 N -5.26 0.00 -0.32 1.64 4.77 0.90 0.22 117.00 118.94 2qbe n LEU 32 Ca -0.05 0.77 0.05 0.00 -0.03 0.00 0.00 56.01 56.75 2qbe n LEU 32 Cb 0.18 -0.27 0.14 0.00 -2.33 0.00 0.00 43.42 41.14 2qbe n LEU 32 CO 0.27 -0.27 0.70 0.00 -1.33 0.00 0.00 177.39 176.75 2qbe h ALA 33 N -1.61 0.66 -0.69 -1.18 0.00 0.12 0.97 119.26 117.53 2qbe h ALA 33 Ca 0.00 0.35 0.14 0.00 0.00 0.00 0.00 54.91 55.40 2qbe h ALA 33 Cb 0.00 0.67 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 2qbe h ALA 33 CO 0.00 -0.41 0.16 -0.09 0.00 0.00 0.00 179.25 178.91 2qbe h ARG 34 N 0.01 0.26 -0.28 0.00 1.12 0.15 0.58 114.38 116.22 2qbe h ARG 34 Ca 0.45 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 59.13 2qbe h ARG 34 Cb 0.72 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.62 2qbe h ARG 34 CO -0.93 0.17 -0.53 -0.09 -3.11 0.00 0.00 179.97 175.49 2qbe h ARG 35 N 0.27 0.82 -0.90 0.20 9.65 0.51 -1.28 114.38 123.65 2qbe h ARG 35 Ca 0.38 -0.51 0.03 0.00 -1.10 0.00 0.00 59.98 58.78 2qbe h ARG 35 Cb 0.62 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 2qbe h ARG 35 CO -0.47 1.14 0.59 -0.07 2.80 0.00 0.00 179.97 183.96 2qbe h LEU 36 N 0.63 0.98 -0.58 3.80 -0.00 0.28 -0.64 115.31 119.79 2qbe h LEU 36 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2qbe h LEU 36 Cb 1.12 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2qbe h LEU 36 CO 0.12 0.68 -0.08 -1.14 -0.00 0.00 0.00 178.44 178.02 2qbe n ARG 37 N -4.50 1.19 -2.87 1.13 0.63 0.17 -3.75 116.66 108.66 2qbe n ARG 37 Ca 0.11 -0.58 -0.22 0.00 -0.92 0.00 0.00 57.85 56.24 2qbe n ARG 37 Cb 0.07 -1.49 0.02 0.00 0.45 0.00 0.00 32.46 31.52 2qbe n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbe n GLY 38 N 1.21 -0.52 0.17 5.14 0.00 -0.35 -4.40 105.19 106.44 2qbe n GLY 38 Ca 0.17 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.42 2qbe n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbe h LYS 39 N -1.02 0.00 0.10 1.61 1.63 -1.54 -2.74 116.57 114.61 2qbe h LYS 39 Ca -0.52 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 58.97 2qbe h LYS 39 Cb 1.36 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.98 2qbe h LYS 39 CO 0.57 0.00 -1.60 1.12 -3.45 0.00 0.00 179.45 176.09 2qbe h HIS 40 N 0.00 0.40 -0.03 1.91 2.07 -1.89 -3.43 115.15 114.18 2qbe h HIS 40 Ca 0.00 -0.29 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 2qbe h HIS 40 Cb 0.19 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.15 2qbe h HIS 40 CO 0.00 1.38 0.00 1.63 -3.07 0.00 0.00 177.93 177.87 2qbe n LYS 41 N -3.41 2.44 -1.83 5.12 5.02 -1.03 -4.80 118.16 119.66 2qbe n LYS 41 Ca -0.18 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.77 2qbe n LYS 41 Cb 1.04 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 36.03 2qbe n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbe n ALA 42 N -3.00 6.53 0.12 7.82 0.00 -1.26 -4.80 120.51 125.92 2qbe n ALA 42 Ca 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.76 2qbe n ALA 42 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2qbe n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbe n GLU 43 N 0.78 0.01 -1.49 0.00 0.00 -1.25 -4.58 120.64 114.11 2qbe n GLU 43 Ca 0.53 0.34 -0.20 0.00 0.00 0.00 0.00 57.16 57.84 2qbe n GLU 43 Cb 0.38 -2.14 -0.19 0.00 0.00 0.00 0.00 31.44 29.49 2qbe n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2qbe n TYR 44 N -1.51 0.19 0.00 4.31 -0.00 -1.26 -3.49 117.16 115.40 2qbe n TYR 44 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2qbe n TYR 44 Cb 0.66 -0.86 0.00 0.00 -0.00 0.00 0.00 39.34 39.15 2qbe n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2qbe n THR 45 N 6.02 0.00 0.06 2.97 5.66 -1.26 -2.81 114.28 124.91 2qbe n THR 45 Ca 0.62 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.63 2qbe n THR 45 Cb 0.20 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.08 2qbe n THR 45 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2qbe n PRO 46 N 0.00 0.03 0.00 1.09 -0.02 -1.23 0.10 135.00 134.97 2qbe n PRO 46 Ca 0.00 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.91 2qbe n PRO 46 Cb 0.00 -1.91 0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2qbe n PRO 46 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2qbe n HIS 47 N -1.49 0.00 -5.26 6.00 1.44 -1.26 -4.94 115.22 109.70 2qbe n HIS 47 Ca -0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 2qbe n HIS 47 Cb 0.34 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.29 2qbe n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qbe s VAL 48 N -1.61 1.98 -0.71 0.61 1.01 0.28 -5.08 120.40 116.90 2qbe s VAL 48 Ca 0.21 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 2qbe s VAL 48 Cb 0.16 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2qbe s VAL 48 CO 0.25 0.56 1.55 -0.62 0.00 0.00 0.00 175.10 176.84 2qbe s ASP 49 N -0.57 5.77 -0.43 3.32 -1.08 -1.26 -4.83 116.67 117.60 2qbe s ASP 49 Ca 0.09 -0.19 0.05 0.00 -0.52 0.00 0.00 52.55 51.98 2qbe s ASP 49 Cb -0.10 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.25 2qbe s ASP 49 CO -0.01 -2.08 1.28 0.35 0.52 0.00 0.00 175.17 175.24 2qbe n THR 50 N 6.80 2.63 -4.32 1.71 -2.24 -1.26 -4.89 114.28 112.70 2qbe n THR 50 Ca 0.13 -4.44 -0.23 0.00 -2.27 0.00 0.00 64.05 57.23 2qbe n THR 50 Cb 0.50 -1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 67.45 2qbe n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qbe s GLY 51 N -3.24 1.77 1.12 3.38 0.00 -1.25 -3.85 107.32 105.25 2qbe s GLY 51 Ca 0.51 -1.74 -0.15 0.00 0.00 0.00 0.00 44.72 43.33 2qbe s GLY 51 CO -0.10 -1.79 1.08 0.99 0.00 0.00 0.00 173.10 173.27 2qbe s ASP 52 N -3.66 1.53 -0.49 1.64 -0.00 -0.58 -4.25 116.67 110.86 2qbe s ASP 52 Ca 0.32 1.02 0.03 0.00 -0.00 0.00 0.00 52.55 53.92 2qbe s ASP 52 Cb -0.05 -1.56 0.49 0.00 -0.00 0.00 0.00 42.92 41.80 2qbe s ASP 52 CO 0.19 -3.79 1.73 -1.22 -0.00 0.00 0.00 175.17 172.08 2qbe n TYR 53 N -4.59 2.79 -1.63 4.23 4.01 0.27 -4.62 117.16 117.61 2qbe n TYR 53 Ca 0.08 -2.48 -0.51 0.00 -0.16 0.00 0.00 57.90 54.82 2qbe n TYR 53 Cb 0.58 -0.98 -0.06 0.00 -0.31 0.00 0.00 39.34 38.57 2qbe n TYR 53 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2qbe n ILE 54 N -0.93 0.08 -3.98 -0.72 0.13 -1.25 -3.95 119.36 108.74 2qbe n ILE 54 Ca 0.54 -0.01 -0.29 0.00 -1.10 0.00 0.00 62.75 61.88 2qbe n ILE 54 Cb 0.92 -1.09 -0.16 0.00 -0.84 0.00 0.00 39.64 38.47 2qbe n ILE 54 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 2qbe s ILE 55 N 1.24 1.44 0.77 9.51 -4.36 -1.15 -3.88 121.20 124.77 2qbe s ILE 55 Ca 0.86 -0.64 -0.13 0.00 -0.26 0.00 0.00 60.65 60.48 2qbe s ILE 55 Cb -0.90 -1.42 0.06 0.00 1.25 0.00 0.00 42.46 41.45 2qbe s ILE 55 CO 0.48 0.35 1.14 -0.69 0.24 0.00 0.00 174.94 176.46 2qbe s VAL 56 N 1.53 2.76 0.00 8.37 1.01 -1.26 -2.20 120.40 130.61 2qbe s VAL 56 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2qbe s VAL 56 Cb -0.14 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2qbe s VAL 56 CO -0.09 -0.27 0.00 -0.11 0.00 0.00 0.00 175.10 174.63 2qbe n LEU 57 N -3.21 0.00 0.00 3.92 7.94 0.17 -3.86 117.00 121.96 2qbe n LEU 57 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2qbe n LEU 57 Cb 0.52 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2qbe n LEU 57 CO 0.50 -0.13 0.21 0.59 -1.11 0.00 0.00 177.39 177.45 2qbe n ASN 58 N -1.70 0.00 0.00 1.96 4.13 -1.26 -3.06 115.26 115.33 2qbe n ASN 58 Ca 0.00 0.61 0.00 0.00 1.68 0.00 0.00 54.58 56.87 2qbe n ASN 58 Cb 0.00 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 2qbe n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbe n ALA 59 N -1.62 0.00 0.54 5.41 0.00 -1.23 -4.00 120.51 119.61 2qbe n ALA 59 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2qbe n ALA 59 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 2qbe n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qbe n ASP 60 N 0.00 1.08 -0.07 0.00 5.75 -1.25 -4.35 116.55 117.71 2qbe n ASP 60 Ca 0.00 -1.04 0.04 0.00 -0.01 0.00 0.00 54.79 53.78 2qbe n ASP 60 Cb 0.00 0.65 0.06 0.00 -1.03 0.00 0.00 41.12 40.80 2qbe n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qbe n LYS 61 N -0.57 1.82 -2.34 0.11 5.02 -1.26 -5.05 118.16 115.88 2qbe n LYS 61 Ca 0.04 -1.81 -0.41 0.00 -2.02 0.00 0.00 58.31 54.11 2qbe n LYS 61 Cb 0.23 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 2qbe n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbe s VAL 62 N -1.60 3.38 0.81 -0.18 0.11 -0.95 -4.41 120.40 117.56 2qbe s VAL 62 Ca 0.13 1.24 -0.12 0.00 -2.93 0.00 0.00 61.98 60.30 2qbe s VAL 62 Cb 0.11 -3.79 0.08 0.00 -1.53 0.00 0.00 36.38 31.25 2qbe s VAL 62 CO 0.01 0.23 1.12 0.00 -3.33 0.00 0.00 175.10 173.13 2qbe s ALA 63 N -0.44 2.34 0.00 1.54 0.00 0.41 -4.92 121.76 120.68 2qbe s ALA 63 Ca 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2qbe s ALA 63 Cb -0.34 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2qbe s ALA 63 CO 0.40 -1.72 0.00 1.55 0.00 0.00 0.00 175.76 175.99 2qbe n VAL 64 N -3.40 0.00 0.00 0.00 3.14 -1.25 -3.15 118.33 113.67 2qbe n VAL 64 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2qbe n VAL 64 Cb 0.58 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 2qbe n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2qbe n THR 65 N -0.81 0.00 -1.80 1.55 5.66 -1.26 -4.90 114.28 112.72 2qbe n THR 65 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qbe n THR 65 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 2qbe n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbe n GLY 66 N -1.99 0.40 0.29 1.09 0.00 -1.26 -2.82 105.19 100.89 2qbe n GLY 66 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.35 2qbe n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbe n ASN 67 N -3.64 0.84 -0.32 1.61 3.02 -1.26 -4.22 115.26 111.29 2qbe n ASN 67 Ca 0.00 -1.77 0.19 0.00 -0.03 0.00 0.00 54.58 52.97 2qbe n ASN 67 Cb 0.00 -0.08 0.39 0.00 -0.61 0.00 0.00 39.78 39.48 2qbe n ASN 67 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qbe h LYS 68 N 1.02 0.20 -1.26 3.52 1.57 -1.81 1.48 116.57 121.27 2qbe h LYS 68 Ca 0.00 -0.01 0.39 0.00 -1.87 0.00 0.00 60.65 59.15 2qbe h LYS 68 Cb 0.23 -0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.39 2qbe h LYS 68 CO 0.00 0.13 0.83 -0.09 -0.57 0.00 0.00 179.45 179.75 2qbe h ARG 69 N 0.20 0.16 0.00 3.15 9.65 -1.74 0.95 114.38 126.75 2qbe h ARG 69 Ca 0.65 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.50 2qbe h ARG 69 Cb 1.44 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.98 2qbe h ARG 69 CO -0.68 0.10 -1.12 0.25 2.80 0.00 0.00 179.97 181.32 2qbe n THR 70 N -4.58 0.07 -0.76 0.20 -2.24 0.14 -2.06 114.28 105.05 2qbe n THR 70 Ca 0.33 -0.07 -0.05 0.00 -2.27 0.00 0.00 64.05 61.99 2qbe n THR 70 Cb 1.29 -0.20 0.27 0.00 -2.10 0.00 0.00 70.33 69.59 2qbe n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qbe n ASP 71 N -1.81 4.51 -3.79 3.42 9.92 0.46 -4.76 116.55 124.49 2qbe n ASP 71 Ca -0.02 -3.05 -0.30 0.00 -0.53 0.00 0.00 54.79 50.89 2qbe n ASP 71 Cb 0.30 -0.72 0.23 0.00 -0.64 0.00 0.00 41.12 40.29 2qbe n ASP 71 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2qbe s LYS 72 N -2.66 -0.73 0.00 -1.24 2.36 0.27 -4.75 119.74 113.00 2qbe s LYS 72 Ca 0.48 -0.31 0.00 0.00 -2.55 0.00 0.00 55.97 53.59 2qbe s LYS 72 Cb 0.38 -1.68 0.00 0.00 -1.05 0.00 0.00 37.83 35.49 2qbe s LYS 72 CO 0.12 -3.34 0.00 1.33 1.55 0.00 0.00 175.35 175.01 2qbe n VAL 73 N -4.44 0.00 -2.18 4.02 0.24 -1.26 -4.65 118.33 110.05 2qbe n VAL 73 Ca 0.15 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.42 2qbe n VAL 73 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2qbe n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qbe n TYR 74 N 0.00 -1.82 -3.97 6.34 4.02 -1.26 -2.92 117.16 117.55 2qbe n TYR 74 Ca 0.00 0.74 -0.21 0.00 -0.01 0.00 0.00 57.90 58.42 2qbe n TYR 74 Cb 0.00 -2.83 -0.03 0.00 -0.02 0.00 0.00 39.34 36.46 2qbe n TYR 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qbe s TYR 75 N -1.73 3.18 -0.29 -0.72 2.02 -1.26 -1.94 117.35 116.61 2qbe s TYR 75 Ca 0.12 -0.12 -0.24 0.00 -0.37 0.00 0.00 57.07 56.46 2qbe s TYR 75 Cb -0.03 -1.56 0.17 0.00 -0.40 0.00 0.00 41.96 40.13 2qbe s TYR 75 CO 0.40 0.40 1.26 -3.38 -1.57 0.00 0.00 175.55 172.66 2qbe s HIS 76 N -2.12 -0.23 -0.11 2.71 -3.43 -0.24 -4.98 115.29 106.88 2qbe s HIS 76 Ca 0.35 0.54 -0.04 0.00 -0.80 0.00 0.00 55.06 55.11 2qbe s HIS 76 Cb -0.08 0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 31.43 2qbe s HIS 76 CO 0.27 -0.11 0.05 -1.58 -2.00 0.00 0.00 174.74 171.37 2qbe s HIS 77 N 0.28 3.29 0.18 0.38 2.46 -1.26 0.17 115.29 120.78 2qbe s HIS 77 Ca 0.03 0.25 0.16 0.00 0.47 0.00 0.00 55.06 55.97 2qbe s HIS 77 Cb -0.05 -1.88 0.53 0.00 -0.13 0.00 0.00 32.58 31.06 2qbe s HIS 77 CO -0.12 0.48 1.67 1.79 -2.47 0.00 0.00 174.74 176.09 2qbe h THR 78 N 4.25 1.06 0.00 0.89 1.35 -1.89 -3.46 112.91 115.11 2qbe h THR 78 Ca -0.49 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 2qbe h THR 78 Cb 1.20 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 2qbe h THR 78 CO 0.58 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 2qbe n GLY 79 N 0.32 0.79 0.00 5.82 0.00 -1.26 -5.08 105.19 105.78 2qbe n GLY 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbe n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qbe n HIS 80 N -1.82 0.00 0.00 1.61 8.25 -1.26 -5.06 115.22 116.94 2qbe n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2qbe n HIS 80 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2qbe n HIS 80 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2qbe n ILE 81 N 0.00 0.00 -0.11 1.59 3.06 -1.26 -4.25 119.36 118.39 2qbe n ILE 81 Ca 0.00 0.27 -0.17 0.00 -2.50 0.00 0.00 62.75 60.35 2qbe n ILE 81 Cb 0.00 -0.50 -0.10 0.00 0.54 0.00 0.00 39.64 39.58 2qbe n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qbe n GLY 82 N -0.13 -0.32 7.00 4.50 0.00 -1.26 -4.99 105.19 109.98 2qbe n GLY 82 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qbe n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbe n GLY 83 N 2.26 1.92 3.43 -0.02 0.00 -1.26 -4.80 105.19 106.72 2qbe n GLY 83 Ca -0.41 0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2qbe n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbe n ILE 84 N 0.00 -1.90 -3.56 -0.61 0.13 -1.24 -4.84 119.36 107.34 2qbe n ILE 84 Ca 0.00 -0.08 -0.31 0.00 -1.10 0.00 0.00 62.75 61.26 2qbe n ILE 84 Cb 0.00 -1.68 -0.05 0.00 -0.84 0.00 0.00 39.64 37.07 2qbe n ILE 84 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2qbe s LYS 85 N -4.37 3.68 0.19 9.51 1.02 0.13 -4.84 119.74 125.06 2qbe s LYS 85 Ca 0.06 0.04 0.04 0.00 0.02 0.00 0.00 55.97 56.13 2qbe s LYS 85 Cb -0.03 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.47 2qbe s LYS 85 CO 0.56 0.40 -0.05 1.14 -0.92 0.00 0.00 175.35 176.48 2qbe s GLN 86 N -2.79 1.20 -0.29 1.68 -2.07 -1.26 -1.08 119.66 115.05 2qbe s GLN 86 Ca 0.43 -1.56 -0.07 0.00 -1.82 0.00 0.00 55.36 52.34 2qbe s GLN 86 Cb -0.12 -0.62 0.14 0.00 -1.09 0.00 0.00 33.01 31.33 2qbe s GLN 86 CO 0.24 -0.01 0.61 0.00 -1.32 0.00 0.00 175.29 174.81 2qbe s ALA 87 N -3.38 -2.01 0.89 2.60 0.00 -0.82 -5.01 121.76 114.04 2qbe s ALA 87 Ca 0.23 2.11 -0.11 0.00 0.00 0.00 0.00 51.96 54.19 2qbe s ALA 87 Cb 0.04 -1.84 0.12 0.00 0.00 0.00 0.00 23.12 21.44 2qbe s ALA 87 CO 0.05 -1.03 1.10 -0.08 0.00 0.00 0.00 175.76 175.79 2qbe s THR 88 N 2.86 2.69 0.18 0.00 -1.32 -1.23 -4.18 115.64 114.63 2qbe s THR 88 Ca 0.02 0.22 -0.25 0.00 -1.21 0.00 0.00 61.69 60.47 2qbe s THR 88 Cb -0.13 -2.58 0.06 0.00 -1.51 0.00 0.00 72.50 68.34 2qbe s THR 88 CO -0.19 -0.29 1.55 0.15 -2.21 0.00 0.00 174.62 173.63 2qbe h PHE 89 N -1.59 -1.43 -0.44 9.09 3.04 -1.77 -1.07 116.94 122.77 2qbe h PHE 89 Ca -0.48 0.10 0.04 0.00 3.98 0.00 0.00 57.97 61.62 2qbe h PHE 89 Cb 1.27 0.74 -0.06 0.00 2.56 0.00 0.00 35.95 40.45 2qbe h PHE 89 CO 0.47 -0.41 -0.34 0.93 -2.02 0.00 0.00 178.31 176.95 2qbe h GLU 90 N -0.11 -0.09 -0.47 1.11 5.08 -1.72 0.60 114.58 118.97 2qbe h GLU 90 Ca 0.22 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.68 2qbe h GLU 90 Cb 0.53 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 2qbe h GLU 90 CO -0.84 -0.06 -0.14 0.93 -1.00 0.00 0.00 179.01 177.90 2qbe h GLU 91 N -0.10 -0.03 -0.24 2.33 5.08 -1.66 0.40 114.58 120.36 2qbe h GLU 91 Ca 0.07 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2qbe h GLU 91 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2qbe h GLU 91 CO -0.47 -0.02 0.29 0.52 -1.00 0.00 0.00 179.01 178.33 2qbe h MET 92 N -0.03 0.00 0.15 2.33 2.86 0.08 -1.38 114.93 118.95 2qbe h MET 92 Ca 0.23 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.57 2qbe h MET 92 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2qbe h MET 92 CO -0.50 0.00 -1.47 0.82 1.06 0.00 0.00 176.91 176.82 2qbe h ILE 93 N 0.00 1.06 -0.43 -1.22 5.03 0.18 -3.22 117.51 118.92 2qbe h ILE 93 Ca 0.11 -2.46 0.12 0.00 -0.12 0.00 0.00 64.86 62.52 2qbe h ILE 93 Cb 0.69 2.79 -0.02 0.00 -3.03 0.00 0.00 36.82 37.25 2qbe h ILE 93 CO -0.00 0.76 0.41 0.00 -0.68 0.00 0.00 178.15 178.63 2qbe h ALA 94 N 0.02 2.18 -2.87 1.87 0.00 0.17 -3.38 119.26 117.25 2qbe h ALA 94 Ca -0.30 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 2qbe h ALA 94 Cb 1.87 0.03 -0.32 0.00 0.00 0.00 0.00 17.79 19.38 2qbe h ALA 94 CO 0.11 -0.63 -0.51 -0.98 0.00 0.00 0.00 179.25 177.24 2qbe s ARG 95 N -4.72 0.17 -0.75 0.00 1.04 -1.04 -4.97 118.95 108.68 2qbe s ARG 95 Ca -0.05 0.73 -0.02 0.00 -1.04 0.00 0.00 55.73 55.36 2qbe s ARG 95 Cb 0.17 -0.03 -0.02 0.00 -2.04 0.00 0.00 34.95 33.02 2qbe s ARG 95 CO 0.59 -0.26 0.69 0.54 -0.04 0.00 0.00 175.30 176.82 2qbe n ARG 96 N 5.17 -1.45 0.24 3.89 1.74 -1.26 -4.62 116.66 120.38 2qbe n ARG 96 Ca -0.09 1.18 0.16 0.00 -0.77 0.00 0.00 57.85 58.33 2qbe n ARG 96 Cb 0.50 -5.32 0.70 0.00 -1.02 0.00 0.00 32.46 27.33 2qbe n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qbe h PRO 97 N -0.05 0.00 -0.54 5.56 0.11 -1.73 -3.15 132.00 132.21 2qbe h PRO 97 Ca -0.18 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.95 2qbe h PRO 97 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2qbe h PRO 97 CO 0.31 0.00 0.33 0.93 -0.21 0.00 0.00 178.00 179.36 2qbe h GLU 98 N 0.00 0.64 -0.15 1.05 3.07 -1.86 -2.35 114.58 114.98 2qbe h GLU 98 Ca 0.00 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.87 2qbe h GLU 98 Cb 0.39 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 2qbe h GLU 98 CO 0.00 0.42 0.21 0.00 -1.40 0.00 0.00 179.01 178.25 2qbe h ARG 99 N 0.66 0.00 -0.39 2.33 3.08 -1.90 0.26 114.38 118.41 2qbe h ARG 99 Ca 0.21 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 2qbe h ARG 99 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2qbe h ARG 99 CO -0.09 0.00 0.08 0.28 -1.07 0.00 0.00 179.97 179.17 2qbe h VAL 100 N 0.00 1.24 0.08 2.04 2.07 -1.62 0.92 116.25 120.97 2qbe h VAL 100 Ca 0.07 -0.83 -0.27 0.00 0.82 0.00 0.00 66.70 66.50 2qbe h VAL 100 Cb 0.50 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2qbe h VAL 100 CO -0.00 0.28 -1.29 0.40 0.02 0.00 0.00 177.57 176.98 2qbe h ILE 101 N 0.49 1.41 0.00 4.57 1.08 -1.31 -3.03 117.51 120.72 2qbe h ILE 101 Ca 0.12 -3.06 0.00 0.00 -0.39 0.00 0.00 64.86 61.53 2qbe h ILE 101 Cb 0.34 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.92 2qbe h ILE 101 CO 0.01 0.86 0.00 -0.62 -0.69 0.00 0.00 178.15 177.71 2qbe n GLU 102 N -3.42 0.00 0.20 2.37 1.02 0.78 -0.61 120.64 120.97 2qbe n GLU 102 Ca -0.09 0.49 0.18 0.00 -0.02 0.00 0.00 57.16 57.73 2qbe n GLU 102 Cb 1.01 -1.42 0.81 0.00 -0.02 0.00 0.00 31.44 31.81 2qbe n GLU 102 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2qbe h ILE 103 N 0.00 0.29 0.29 -3.67 -0.00 -1.00 1.17 117.51 114.59 2qbe h ILE 103 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 2qbe h ILE 103 Cb 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 36.82 37.54 2qbe h ILE 103 CO 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 178.15 178.01 2qbe h ALA 104 N 1.55 -0.39 0.00 0.16 0.00 -1.38 -0.94 119.26 118.26 2qbe h ALA 104 Ca 0.11 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2qbe h ALA 104 Cb 0.76 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2qbe h ALA 104 CO -0.00 -0.53 -0.48 -0.39 0.00 0.00 0.00 179.25 177.85 2qbe h VAL 105 N -0.77 1.07 0.00 0.00 -1.51 0.12 -2.38 116.25 112.78 2qbe h VAL 105 Ca -0.04 -1.85 -0.03 0.00 -1.23 0.00 0.00 66.70 63.55 2qbe h VAL 105 Cb 0.50 2.08 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 2qbe h VAL 105 CO 0.07 0.47 -0.15 0.50 -1.23 0.00 0.00 177.57 177.23 2qbe h LYS 106 N 0.00 0.00 0.20 5.19 1.63 0.14 0.10 116.57 123.83 2qbe h LYS 106 Ca -0.00 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 2qbe h LYS 106 Cb 1.04 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.69 2qbe h LYS 106 CO 0.06 0.15 -1.55 0.78 -3.45 0.00 0.00 179.45 175.45 2qbe h GLY 107 N 1.34 0.48 1.01 5.01 0.00 -0.67 -3.31 103.07 106.93 2qbe h GLY 107 Ca -0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.08 2qbe h GLY 107 CO 0.02 1.06 0.28 -0.33 0.00 0.00 0.00 176.54 177.57 2qbe h MET 108 N 0.11 1.00 -7.11 4.80 2.86 -1.04 -3.44 114.93 112.12 2qbe h MET 108 Ca -0.27 -0.18 -0.54 0.00 -2.06 0.00 0.00 59.70 56.66 2qbe h MET 108 Cb 2.10 -0.16 0.19 0.00 0.06 0.00 0.00 31.60 33.78 2qbe h MET 108 CO 0.22 0.83 0.20 1.28 1.06 0.00 0.00 176.91 180.49 2qbe n LEU 109 N -4.40 3.75 -4.96 1.22 4.77 -0.03 -5.02 117.00 112.32 2qbe n LEU 109 Ca 0.05 0.58 -0.24 0.00 -0.03 0.00 0.00 56.01 56.36 2qbe n LEU 109 Cb 0.17 -1.46 0.08 0.00 -2.33 0.00 0.00 43.42 39.88 2qbe n LEU 109 CO 0.39 -1.97 0.56 -2.16 -1.33 0.00 0.00 177.39 172.89 2qbe s PRO 110 N -3.91 1.96 0.00 3.23 0.04 -1.26 -4.97 135.00 130.08 2qbe s PRO 110 Ca 0.72 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2qbe s PRO 110 Cb -0.29 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2qbe s PRO 110 CO 0.52 -1.30 0.00 1.63 0.04 0.00 0.00 177.00 177.90 2qbe n LYS 111 N -2.85 0.00 0.12 4.56 4.01 -1.26 -3.76 118.16 118.99 2qbe n LYS 111 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2qbe n LYS 111 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 2qbe n LYS 111 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbe n GLY 112 N 0.00 -0.50 0.15 0.72 0.00 -1.26 -4.68 105.19 99.61 2qbe n GLY 112 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 2qbe n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qbe h PRO 113 N 0.00 -0.01 0.00 1.61 0.13 -2.00 0.22 132.00 131.96 2qbe h PRO 113 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 2qbe h PRO 113 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2qbe h PRO 113 CO 0.00 -0.01 -1.50 1.25 -0.23 0.00 0.00 178.00 177.52 2qbe h LEU 114 N -0.01 0.00 -0.05 1.56 5.85 -1.93 -3.27 115.31 117.46 2qbe h LEU 114 Ca 0.16 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2qbe h LEU 114 Cb 0.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2qbe h LEU 114 CO -0.34 0.99 0.03 1.23 -0.34 0.00 0.00 178.44 180.01 2qbe h GLY 115 N 3.37 0.08 2.00 3.75 0.00 -1.59 -1.89 103.07 108.79 2qbe h GLY 115 Ca -0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2qbe h GLY 115 CO 0.09 0.04 -0.13 -0.09 0.00 0.00 0.00 176.54 176.45 2qbe h ARG 116 N -0.02 0.00 0.00 4.80 9.65 -0.72 -0.78 114.38 127.31 2qbe h ARG 116 Ca 0.02 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 2qbe h ARG 116 Cb 0.10 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 2qbe h ARG 116 CO -0.00 0.13 -0.41 0.00 2.80 0.00 0.00 179.97 182.49 2qbe h ALA 117 N 1.87 1.18 0.00 2.80 0.00 -1.43 -2.65 119.26 121.03 2qbe h ALA 117 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2qbe h ALA 117 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qbe h ALA 117 CO 0.02 0.51 -0.72 -1.33 0.00 0.00 0.00 179.25 177.73 2qbe n MET 118 N -3.84 0.17 0.08 0.00 2.81 -0.37 -4.00 117.12 111.98 2qbe n MET 118 Ca -0.01 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.77 2qbe n MET 118 Cb 0.47 -1.58 -0.13 0.00 -0.71 0.00 0.00 33.22 31.26 2qbe n MET 118 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 2qbe h PHE 119 N 0.00 0.32 0.00 2.03 3.04 -1.00 -3.24 116.94 118.09 2qbe h PHE 119 Ca 0.00 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.71 2qbe h PHE 119 Cb 0.64 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.14 2qbe h PHE 119 CO 0.00 1.20 0.00 2.89 -2.02 0.00 0.00 178.31 180.38 2qbe n ARG 120 N -3.45 0.12 0.00 1.11 1.85 -1.11 -1.46 116.66 113.72 2qbe n ARG 120 Ca -0.07 0.41 0.16 0.00 -1.00 0.00 0.00 57.85 57.35 2qbe n ARG 120 Cb 1.00 -1.75 0.86 0.00 -1.05 0.00 0.00 32.46 31.52 2qbe n ARG 120 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2qbe n LYS 121 N -1.98 1.09 -5.11 2.89 5.02 -1.22 -4.78 118.16 114.07 2qbe n LYS 121 Ca 0.02 -0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 55.81 2qbe n LYS 121 Cb 0.17 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.53 2qbe n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qbe s LEU 122 N -2.04 2.37 0.00 -0.35 0.20 -0.54 -3.96 118.68 114.36 2qbe s LEU 122 Ca 0.45 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.91 2qbe s LEU 122 Cb 0.22 -1.45 0.00 0.00 -0.43 0.00 0.00 46.19 44.53 2qbe s LEU 122 CO 0.37 0.31 0.00 0.29 -0.29 0.00 0.00 176.35 177.03 2qbe n LYS 123 N 2.51 3.97 0.00 1.98 4.01 -1.25 -5.03 118.16 124.35 2qbe n LYS 123 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 2qbe n LYS 123 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2qbe n LYS 123 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2qbe n VAL 124 N 0.00 0.00 -0.65 -0.18 0.24 -1.25 -4.21 118.33 112.28 2qbe n VAL 124 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 2qbe n VAL 124 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 2qbe n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qbe n TYR 125 N -1.39 -1.72 0.07 6.34 4.01 -1.26 -3.41 117.16 119.80 2qbe n TYR 125 Ca 0.00 0.93 -0.11 0.00 -0.16 0.00 0.00 57.90 58.56 2qbe n TYR 125 Cb 0.00 -1.57 -0.07 0.00 -0.31 0.00 0.00 39.34 37.39 2qbe n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qbe h ALA 126 N -0.63 -0.26 0.00 -0.72 0.00 -1.73 -3.41 119.26 112.51 2qbe h ALA 126 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qbe h ALA 126 Cb 0.62 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2qbe h ALA 126 CO 0.03 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2qbe n GLY 127 N 0.54 1.06 3.08 0.00 0.00 -1.17 -3.87 105.19 104.82 2qbe n GLY 127 Ca -0.08 0.54 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 2qbe n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbe n ASN 128 N 0.00 -5.04 -3.06 1.61 3.02 -1.26 -4.85 115.26 105.67 2qbe n ASN 128 Ca 0.00 -0.42 0.03 0.00 -0.03 0.00 0.00 54.58 54.16 2qbe n ASN 128 Cb 0.00 -3.98 -0.00 0.00 -0.61 0.00 0.00 39.78 35.19 2qbe n ASN 128 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2qbe s GLU 129 N -5.91 0.43 -0.13 3.52 4.04 -1.26 -5.11 118.70 114.28 2qbe s GLU 129 Ca 0.41 0.06 0.01 0.00 0.04 0.00 0.00 54.97 55.49 2qbe s GLU 129 Cb -0.18 0.10 -0.01 0.00 0.02 0.00 0.00 34.13 34.06 2qbe s GLU 129 CO 0.56 -0.69 -0.16 -3.38 -1.84 0.00 0.00 175.26 169.75 2qbe s HIS 130 N 2.35 2.75 -0.17 4.83 -3.43 -1.26 -4.70 115.29 115.66 2qbe s HIS 130 Ca 0.17 -0.79 -0.00 0.00 -0.80 0.00 0.00 55.06 53.64 2qbe s HIS 130 Cb -0.03 -1.82 0.12 0.00 -1.43 0.00 0.00 32.58 29.42 2qbe s HIS 130 CO -0.17 -0.29 1.97 0.09 -2.00 0.00 0.00 174.74 174.33 2qbe n ASN 131 N 3.60 5.81 -0.20 7.38 4.13 -1.26 -3.96 115.26 130.76 2qbe n ASN 131 Ca -0.18 -2.76 0.08 0.00 1.68 0.00 0.00 54.58 53.40 2qbe n ASN 131 Cb 0.53 -1.06 0.12 0.00 -1.54 0.00 0.00 39.78 37.83 2qbe n ASN 131 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2qbe n HIS 132 N 0.81 0.00 -0.30 3.10 8.25 -1.26 -4.79 115.22 121.03 2qbe n HIS 132 Ca 0.17 -0.89 0.23 0.00 -0.26 0.00 0.00 57.72 56.97 2qbe n HIS 132 Cb 0.56 -0.14 0.54 0.00 1.12 0.00 0.00 29.99 32.06 2qbe n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbe h ALA 133 N 0.10 2.32 0.00 -1.41 0.00 -2.03 0.60 119.26 118.85 2qbe h ALA 133 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qbe h ALA 133 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2qbe h ALA 133 CO 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 179.25 178.59 2qbe n ALA 134 N -2.52 1.11 0.88 0.00 0.00 -1.26 -0.52 120.51 118.19 2qbe n ALA 134 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.76 2qbe n ALA 134 Cb 0.87 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 2qbe n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbe n GLN 135 N -1.24 0.87 -3.56 0.00 3.00 0.20 -5.03 117.38 111.63 2qbe n GLN 135 Ca 0.00 -0.04 -0.27 0.00 -0.01 0.00 0.00 57.00 56.69 2qbe n GLN 135 Cb 0.03 -1.38 0.05 0.00 0.00 0.00 0.00 30.24 28.94 2qbe n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qbe n GLN 136 N -1.38 -1.48 -2.54 -1.09 6.02 0.32 -4.90 117.38 112.32 2qbe n GLN 136 Ca 0.04 0.59 -0.39 0.00 -0.01 0.00 0.00 57.00 57.23 2qbe n GLN 136 Cb 0.30 -4.57 -0.04 0.00 1.02 0.00 0.00 30.24 26.94 2qbe n GLN 136 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2qbe s PRO 137 N -5.48 4.46 -0.15 -1.09 0.02 -1.26 -4.92 135.00 126.58 2qbe s PRO 137 Ca 0.46 1.63 -0.17 0.00 0.02 0.00 0.00 61.00 62.93 2qbe s PRO 137 Cb -0.14 -2.91 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 2qbe s PRO 137 CO 0.83 0.10 0.45 -0.65 -0.33 0.00 0.00 177.00 177.40 2qbe s GLN 138 N -1.89 4.29 0.03 5.54 -0.21 -1.22 -4.68 119.66 121.53 2qbe s GLN 138 Ca 0.50 0.37 -0.35 0.00 0.02 0.00 0.00 55.36 55.90 2qbe s GLN 138 Cb -0.27 -3.47 -0.14 0.00 1.00 0.00 0.00 33.01 30.14 2qbe s GLN 138 CO 0.34 0.10 1.66 1.33 -2.12 0.00 0.00 175.29 176.59 2qbe n VAL 139 N 3.87 0.21 -3.87 1.09 0.24 -1.26 -2.33 118.33 116.28 2qbe n VAL 139 Ca -0.07 -0.04 -0.36 0.00 -2.04 0.00 0.00 64.34 61.83 2qbe n VAL 139 Cb 0.51 -1.52 -0.13 0.00 -1.47 0.00 0.00 33.84 31.24 2qbe n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qbe s LEU 140 N 2.08 3.28 -0.72 1.34 0.20 -0.82 -4.85 118.68 119.19 2qbe s LEU 140 Ca 0.86 -0.24 -0.26 0.00 0.69 0.00 0.00 54.13 55.18 2qbe s LEU 140 Cb -0.76 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.13 2qbe s LEU 140 CO 0.46 -0.00 1.74 -1.81 -0.29 0.00 0.00 176.35 176.45 2qbe s ASP 141 N 1.41 5.49 0.00 3.68 1.01 -1.26 -4.50 116.67 122.49 2qbe s ASP 141 Ca 0.05 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.19 2qbe s ASP 141 Cb -0.15 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2qbe s ASP 141 CO 0.02 -2.29 0.00 -0.38 0.21 0.00 0.00 175.17 172.72