#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3q n SER 2 N 0.00 6.12 -3.65 1.61 3.41 -1.26 -4.80 113.62 115.05 1x3q n SER 2 Ca 0.00 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 1x3q n SER 2 Cb 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.50 1x3q n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x3q n GLN 3 N 2.69 2.31 0.00 4.33 1.13 -1.26 -5.00 117.38 121.57 1x3q n GLN 3 Ca 0.52 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 1x3q n GLN 3 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.09 1x3q n GLN 3 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x3q n VAL 4 N 0.00 0.00 0.00 5.09 0.31 -1.26 -4.84 118.33 117.63 1x3q n VAL 4 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1x3q n VAL 4 Cb 0.00 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1x3q n VAL 4 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1x3q n PHE 5 N 0.00 0.00 -0.06 3.52 3.01 -1.26 -4.92 117.46 117.75 1x3q n PHE 5 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1x3q n PHE 5 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1x3q n PHE 5 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1x3q n GLU 6 N 0.00 0.30 -3.54 -1.08 -0.58 -1.26 -5.02 120.64 109.46 1x3q n GLU 6 Ca 0.00 0.13 -0.26 0.00 -0.42 0.00 0.00 57.16 56.61 1x3q n GLU 6 Cb 0.00 -1.01 0.02 0.00 -0.57 0.00 0.00 31.44 29.88 1x3q n GLU 6 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1x3q n TYR 7 N -3.78 -2.11 -2.89 -0.32 4.01 -1.26 -4.65 117.16 106.16 1x3q n TYR 7 Ca -0.22 0.70 -0.30 0.00 -0.16 0.00 0.00 57.90 57.92 1x3q n TYR 7 Cb 0.56 -3.83 -0.03 0.00 -0.31 0.00 0.00 39.34 35.73 1x3q n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x3q n ALA 8 N -4.11 4.97 0.11 -0.72 0.00 -1.26 -4.75 120.51 114.75 1x3q n ALA 8 Ca -0.01 -4.69 -0.23 0.00 0.00 0.00 0.00 53.44 48.51 1x3q n ALA 8 Cb 0.55 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.81 1x3q n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x3q h GLU 9 N 3.29 0.61 -6.80 0.00 5.08 -1.87 -3.47 114.58 111.41 1x3q h GLU 9 Ca 0.22 -0.87 -0.56 0.00 -1.00 0.00 0.00 59.36 57.15 1x3q h GLU 9 Cb 0.47 0.30 -0.19 0.00 0.50 0.00 0.00 28.75 29.82 1x3q h GLU 9 CO 0.90 1.40 -0.89 1.55 -1.00 0.00 0.00 179.01 180.98 1x3q n VAL 10 N -3.78 -1.47 0.00 3.13 3.14 -1.22 -3.96 118.33 114.17 1x3q n VAL 10 Ca -0.15 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 1x3q n VAL 10 Cb 1.02 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.13 1x3q n VAL 10 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1x3q n ASP 11 N -2.77 0.00 -3.66 6.55 -0.08 -1.26 -4.42 116.55 110.91 1x3q n ASP 11 Ca -0.11 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.90 1x3q n ASP 11 Cb 0.58 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.94 1x3q n ASP 11 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1x3q n GLU 12 N 0.00 1.80 -0.58 -0.67 4.07 -1.25 -4.87 120.64 119.14 1x3q n GLU 12 Ca 0.00 -4.33 0.00 0.00 -0.06 0.00 0.00 57.16 52.77 1x3q n GLU 12 Cb 0.00 -2.15 0.00 0.00 -0.06 0.00 0.00 31.44 29.23 1x3q n GLU 12 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1x3q n ILE 13 N 1.68 0.00 -0.05 6.31 -6.64 -1.26 -4.82 119.36 114.59 1x3q n ILE 13 Ca 0.24 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 61.18 1x3q n ILE 13 Cb 0.39 -0.13 -0.09 0.00 -1.44 0.00 0.00 39.64 38.38 1x3q n ILE 13 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1x3q n VAL 14 N 0.66 0.66 -4.24 7.28 0.31 -1.26 -4.81 118.33 116.93 1x3q n VAL 14 Ca 0.00 -0.45 -0.16 0.00 -0.01 0.00 0.00 64.34 63.72 1x3q n VAL 14 Cb 0.00 -0.58 -0.09 0.00 -0.91 0.00 0.00 33.84 32.26 1x3q n VAL 14 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1x3q s GLU 15 N -2.34 1.52 0.00 5.55 2.02 -1.26 -4.82 118.70 119.36 1x3q s GLU 15 Ca -0.05 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.10 1x3q s GLU 15 Cb 0.04 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1x3q s GLU 15 CO 0.46 -0.54 0.00 0.36 0.02 0.00 0.00 175.26 175.56 1x3q n LYS 16 N -0.47 0.00 -0.31 1.61 -0.00 -1.26 -3.23 118.16 114.51 1x3q n LYS 16 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1x3q n LYS 16 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.67 1x3q n LYS 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1x3q n ARG 17 N 0.00 -0.88 0.00 -1.58 0.63 -1.25 -4.95 116.66 108.64 1x3q n ARG 17 Ca 0.00 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 1x3q n ARG 17 Cb 0.00 -0.70 0.00 0.00 0.45 0.00 0.00 32.46 32.21 1x3q n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x3q n GLY 18 N -0.38 1.83 3.04 5.14 0.00 -1.26 -4.79 105.19 108.77 1x3q n GLY 18 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1x3q n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3q n LYS 19 N 0.00 -0.05 0.18 1.61 4.76 -1.25 -4.70 118.16 118.71 1x3q n LYS 19 Ca 0.00 -0.01 0.18 0.00 -2.87 0.00 0.00 58.31 55.61 1x3q n LYS 19 Cb 0.00 -1.08 0.70 0.00 -1.84 0.00 0.00 35.03 32.81 1x3q n LYS 19 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1x3q h GLY 20 N -1.06 0.00 0.00 0.72 0.00 -2.03 -3.30 103.07 97.40 1x3q h GLY 20 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1x3q h GLY 20 CO 0.24 0.00 -0.04 0.28 0.00 0.00 0.00 176.54 177.01 1x3q n LYS 21 N -3.28 0.06 -0.84 4.80 5.02 -1.26 -4.93 118.16 117.73 1x3q n LYS 21 Ca 0.04 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 1x3q n LYS 21 Cb 0.62 -0.52 -0.02 0.00 -0.02 0.00 0.00 35.03 35.09 1x3q n LYS 21 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x3q n ASP 22 N -1.21 5.23 -4.85 4.39 9.92 -1.24 -4.88 116.55 123.92 1x3q n ASP 22 Ca 0.00 -2.38 -0.33 0.00 -0.53 0.00 0.00 54.79 51.55 1x3q n ASP 22 Cb 0.02 -1.16 -0.06 0.00 -0.64 0.00 0.00 41.12 39.28 1x3q n ASP 22 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x3q s VAL 23 N 3.36 4.72 -0.02 2.53 1.01 -1.26 -3.79 120.40 126.94 1x3q s VAL 23 Ca 0.44 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.13 1x3q s VAL 23 Cb 0.11 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1x3q s VAL 23 CO -0.03 -0.04 0.45 -1.83 0.00 0.00 0.00 175.10 173.66 1x3q s GLU 24 N -2.64 0.84 -0.07 2.72 1.03 -1.26 0.13 118.70 119.45 1x3q s GLU 24 Ca 0.49 -0.06 0.02 0.00 0.03 0.00 0.00 54.97 55.45 1x3q s GLU 24 Cb -0.12 0.38 0.02 0.00 -0.80 0.00 0.00 34.13 33.61 1x3q s GLU 24 CO 0.19 -0.25 -0.11 0.71 -1.33 0.00 0.00 175.26 174.47 1x3q s TYR 25 N -1.45 1.38 0.00 4.83 1.51 -1.09 -3.76 117.35 118.79 1x3q s TYR 25 Ca -0.12 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1x3q s TYR 25 Cb -0.03 -1.05 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1x3q s TYR 25 CO 0.05 -0.31 0.00 1.28 -1.11 0.00 0.00 175.55 175.46 1x3q n LEU 26 N 4.04 0.00 -2.03 -1.29 4.77 -1.20 -4.22 117.00 117.07 1x3q n LEU 26 Ca -0.21 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.78 1x3q n LEU 26 Cb 0.51 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1x3q n LEU 26 CO 0.24 0.00 0.07 0.52 -1.33 0.00 0.00 177.39 176.88 1x3q n VAL 27 N 0.00 0.48 0.00 4.08 0.31 -1.26 -1.27 118.33 120.67 1x3q n VAL 27 Ca 0.00 -1.68 0.00 0.00 -0.01 0.00 0.00 64.34 62.65 1x3q n VAL 27 Cb 0.00 1.09 0.00 0.00 -0.91 0.00 0.00 33.84 34.02 1x3q n VAL 27 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1x3q n ARG 28 N -0.01 0.00 0.00 5.55 -4.01 -1.26 -4.09 116.66 112.83 1x3q n ARG 28 Ca 0.04 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.85 1x3q n ARG 28 Cb 0.99 -0.61 0.00 0.00 -3.04 0.00 0.00 32.46 29.80 1x3q n ARG 28 CO 0.00 0.00 0.00 -2.67 -3.04 0.00 0.00 177.63 171.92 1x3q n TRP 29 N -2.51 0.00 0.00 2.89 -0.00 -1.26 -3.43 117.44 113.12 1x3q n TRP 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1x3q n TRP 29 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.66 1x3q n TRP 29 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1x3q n LYS 30 N 0.00 0.00 0.00 -2.67 4.01 -1.26 -4.68 118.16 113.55 1x3q n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1x3q n LYS 30 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1x3q n LYS 30 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1x3q n ASP 31 N 0.00 -0.66 0.00 4.39 5.68 -1.26 -5.02 116.55 119.68 1x3q n ASP 31 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1x3q n ASP 31 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1x3q n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x3q n GLY 32 N 0.00 -0.58 0.31 6.12 0.00 -1.26 -4.88 105.19 104.89 1x3q n GLY 32 Ca 0.00 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1x3q n GLY 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x3q h GLY 33 N 0.00 0.00 -4.82 -0.02 0.00 -2.06 -3.42 103.07 92.76 1x3q h GLY 33 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1x3q h GLY 33 CO 0.00 0.00 -0.72 -0.35 0.00 0.00 0.00 176.54 175.47 1x3q s ASP 34 N -6.18 0.63 0.13 0.19 2.15 -1.26 -5.15 116.67 107.18 1x3q s ASP 34 Ca -0.05 -0.54 -0.26 0.00 0.43 0.00 0.00 52.55 52.13 1x3q s ASP 34 Cb 0.16 0.06 -0.07 0.00 -0.30 0.00 0.00 42.92 42.77 1x3q s ASP 34 CO 0.58 -0.25 0.80 0.00 -0.17 0.00 0.00 175.17 176.13 1x3q n GLU 36 N 2.09 2.96 -1.60 0.00 -0.58 -1.26 -5.04 120.64 117.20 1x3q n GLU 36 Ca -0.04 -2.36 -0.50 0.00 -0.42 0.00 0.00 57.16 53.84 1x3q n GLU 36 Cb 0.49 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.81 1x3q n GLU 36 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1x3q n TRP 37 N 0.27 1.58 -3.84 -0.32 2.14 -0.40 -4.98 117.44 111.90 1x3q n TRP 37 Ca 0.16 0.59 -0.21 0.00 2.07 0.00 0.00 57.50 60.11 1x3q n TRP 37 Cb 0.61 -2.35 -0.03 0.00 -0.81 0.00 0.00 31.31 28.73 1x3q n TRP 37 CO 0.00 0.00 0.00 0.14 2.07 0.00 0.00 177.69 179.90 1x3q s VAL 38 N 0.34 4.06 0.03 -1.67 -7.23 -1.26 -4.89 120.40 109.79 1x3q s VAL 38 Ca 0.80 -1.26 -0.07 0.00 -1.81 0.00 0.00 61.98 59.64 1x3q s VAL 38 Cb -0.88 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 32.66 1x3q s VAL 38 CO 0.47 -0.23 0.16 0.29 -0.31 0.00 0.00 175.10 175.47 1x3q n LYS 39 N -1.38 0.00 -0.07 4.82 4.01 -1.26 -2.65 118.16 121.62 1x3q n LYS 39 Ca -0.04 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.64 1x3q n LYS 39 Cb 0.59 -0.26 -0.11 0.00 -0.51 0.00 0.00 35.03 34.74 1x3q n LYS 39 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1x3q h GLY 40 N 0.36 0.00 -0.74 0.72 0.00 0.75 -2.18 103.07 101.97 1x3q h GLY 40 Ca -0.08 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.61 1x3q h GLY 40 CO 0.13 0.00 0.52 -2.08 0.00 0.00 0.00 176.54 175.11 1x3q h VAL 41 N -1.00 0.16 0.22 4.60 2.07 -1.90 1.79 116.25 122.19 1x3q h VAL 41 Ca -0.01 -0.06 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 1x3q h VAL 41 Cb 0.87 -0.02 0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1x3q h VAL 41 CO -0.01 0.03 -1.42 0.45 0.02 0.00 0.00 177.57 176.64 1x3q h HIS 42 N 0.17 0.88 -0.64 1.57 3.86 -1.93 -3.29 115.15 115.76 1x3q h HIS 42 Ca 0.77 -0.64 -0.42 0.00 -1.16 0.00 0.00 60.37 58.92 1x3q h HIS 42 Cb 1.88 -0.04 -0.19 0.00 1.06 0.00 0.00 27.41 30.12 1x3q h HIS 42 CO -0.04 1.50 0.54 0.28 0.86 0.00 0.00 177.93 181.07 1x3q n VAL 43 N -3.68 2.93 -3.38 2.45 0.31 0.53 -4.87 118.33 112.61 1x3q n VAL 43 Ca -0.15 -1.89 -0.18 0.00 -0.01 0.00 0.00 64.34 62.11 1x3q n VAL 43 Cb 1.08 -1.15 0.04 0.00 -0.91 0.00 0.00 33.84 32.91 1x3q n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x3q n ALA 44 N -0.17 -2.53 -0.16 3.52 0.00 0.33 -4.61 120.51 116.88 1x3q n ALA 44 Ca 0.40 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.76 1x3q n ALA 44 Cb 0.74 -4.05 0.05 0.00 0.00 0.00 0.00 19.45 16.20 1x3q n ALA 44 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1x3q h GLU 45 N -0.97 0.46 -0.89 0.00 4.81 0.57 -1.45 114.58 117.12 1x3q h GLU 45 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1x3q h GLU 45 Cb 1.27 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1x3q h GLU 45 CO 0.42 0.31 0.00 -0.25 -0.73 0.00 0.00 179.01 178.76 1x3q n ASP 46 N -4.90 2.10 -0.02 1.04 8.00 -1.26 -2.87 116.55 118.64 1x3q n ASP 46 Ca 0.04 -2.22 -0.04 0.00 0.71 0.00 0.00 54.79 53.29 1x3q n ASP 46 Cb 0.14 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.69 1x3q n ASP 46 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1x3q n VAL 47 N 0.15 0.22 0.59 2.53 0.31 -0.58 -4.71 118.33 116.84 1x3q n VAL 47 Ca 0.07 -0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.46 1x3q n VAL 47 Cb 0.47 -1.44 0.25 0.00 -0.91 0.00 0.00 33.84 32.20 1x3q n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x3q n ALA 48 N -3.11 2.71 -0.26 3.52 0.00 -1.03 -3.72 120.51 118.61 1x3q n ALA 48 Ca -0.08 -0.17 0.28 0.00 0.00 0.00 0.00 53.44 53.47 1x3q n ALA 48 Cb 0.56 -1.27 0.65 0.00 0.00 0.00 0.00 19.45 19.39 1x3q n ALA 48 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1x3q h LYS 49 N 0.00 0.14 -0.91 0.00 2.10 -1.76 1.20 116.57 117.34 1x3q h LYS 49 Ca 0.00 -0.01 -0.29 0.00 -2.00 0.00 0.00 60.65 58.35 1x3q h LYS 49 Cb 0.75 -0.03 -0.18 0.00 -0.90 0.00 0.00 32.23 31.87 1x3q h LYS 49 CO 0.00 0.10 0.37 -0.25 -2.00 0.00 0.00 179.45 177.67 1x3q n ASP 50 N -4.36 3.89 -0.04 7.07 8.00 -1.24 -3.66 116.55 126.21 1x3q n ASP 50 Ca 0.22 -3.11 -0.10 0.00 0.71 0.00 0.00 54.79 52.51 1x3q n ASP 50 Cb 0.98 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 1x3q n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x3q n TYR 51 N -0.44 0.00 -0.08 1.24 4.19 0.41 -4.77 117.16 117.72 1x3q n TYR 51 Ca 0.40 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.51 1x3q n TYR 51 Cb 1.30 -0.37 -0.05 0.00 0.49 0.00 0.00 39.34 40.72 1x3q n TYR 51 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1x3q h GLU 52 N -0.47 0.00 -0.89 2.98 4.22 -1.73 -3.18 114.58 115.51 1x3q h GLU 52 Ca -0.20 0.00 0.31 0.00 0.08 0.00 0.00 59.36 59.55 1x3q h GLU 52 Cb 0.95 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.11 1x3q h GLU 52 CO -0.12 0.31 0.57 -3.47 -2.18 0.00 0.00 179.01 174.12 1x3q n ASP 53 N -4.57 0.14 -0.08 1.04 2.03 -1.24 0.16 116.55 114.03 1x3q n ASP 53 Ca -0.14 0.90 -0.21 0.00 0.52 0.00 0.00 54.79 55.86 1x3q n ASP 53 Cb 0.37 -0.44 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 1x3q n ASP 53 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1x3q h GLY 54 N 0.00 0.07 0.00 0.27 0.00 -1.81 -3.36 103.07 98.24 1x3q h GLY 54 Ca 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1x3q h GLY 54 CO -0.30 0.15 0.00 1.04 0.00 0.00 0.00 176.54 177.42 1x3q n LEU 55 N -4.28 0.00 -3.18 3.11 4.77 0.43 -4.07 117.00 113.77 1x3q n LEU 55 Ca -0.30 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.47 1x3q n LEU 55 Cb 0.73 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 1x3q n LEU 55 CO 0.25 0.00 2.22 1.21 -1.33 0.00 0.00 177.39 179.74 1x3q n GLU 56 N 0.00 1.86 0.00 3.23 4.07 -0.54 -4.82 120.64 124.44 1x3q n GLU 56 Ca 0.00 -1.39 0.01 0.00 -0.06 0.00 0.00 57.16 55.72 1x3q n GLU 56 Cb 0.00 -2.43 0.07 0.00 -0.06 0.00 0.00 31.44 29.02 1x3q n GLU 56 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05