#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 -3.37 -1.29 1.61 2.88 -1.26 -4.68 113.62 107.51 1x3q n SER 2 Ca 0.00 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1x3q n SER 2 Cb 0.00 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 58.53 1x3q n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3q n GLN 3 N -3.73 -3.71 0.00 -1.46 3.00 -1.26 -4.94 117.38 105.29 1x3q n GLN 3 Ca -0.21 2.76 0.00 0.00 -0.01 0.00 0.00 57.00 59.54 1x3q n GLN 3 Cb 0.65 -3.10 0.00 0.00 0.00 0.00 0.00 30.24 27.78 1x3q n GLN 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1x3q n VAL 4 N -0.87 0.00 0.00 5.09 0.31 -1.26 -4.87 118.33 116.72 1x3q n VAL 4 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1x3q n VAL 4 Cb 0.00 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 1x3q n VAL 4 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1x3q n PHE 5 N -0.12 0.00 -0.12 3.52 7.35 -1.26 -4.95 117.46 121.88 1x3q n PHE 5 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 1x3q n PHE 5 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 1x3q n PHE 5 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1x3q n GLU 6 N 0.00 0.57 -4.14 -4.13 -0.58 -1.26 -5.00 120.64 106.09 1x3q n GLU 6 Ca 0.00 0.35 -0.30 0.00 -0.42 0.00 0.00 57.16 56.79 1x3q n GLU 6 Cb 0.00 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 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 -4.34 -1.54 -2.22 -0.32 4.01 -1.26 -4.86 117.16 106.63 1x3q n TYR 7 Ca -0.43 0.72 -0.17 0.00 -0.16 0.00 0.00 57.90 57.86 1x3q n TYR 7 Cb 0.77 -3.21 0.03 0.00 -0.31 0.00 0.00 39.34 36.62 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 -4.42 4.37 -0.24 -0.72 0.00 -1.26 -4.84 120.51 113.40 1x3q n ALA 8 Ca -0.20 -3.51 -0.06 0.00 0.00 0.00 0.00 53.44 49.66 1x3q n ALA 8 Cb 0.63 -0.46 0.04 0.00 0.00 0.00 0.00 19.45 19.66 1x3q n ALA 8 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1x3q h GLU 9 N 2.27 0.95 -6.59 0.00 9.09 -1.89 -3.46 114.58 114.95 1x3q h GLU 9 Ca 0.23 -0.13 -0.52 0.00 0.05 0.00 0.00 59.36 58.99 1x3q h GLU 9 Cb 1.47 -0.18 -0.14 0.00 -1.65 0.00 0.00 28.75 28.24 1x3q h GLU 9 CO 0.60 0.74 -0.82 1.55 0.05 0.00 0.00 179.01 181.13 1x3q n VAL 10 N -4.49 -1.51 0.00 -1.06 3.14 -1.25 -4.29 118.33 108.87 1x3q n VAL 10 Ca 0.05 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1x3q n VAL 10 Cb 0.11 -2.12 0.00 0.00 -1.06 0.00 0.00 33.84 30.77 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 -2.74 0.00 -3.29 6.55 2.03 -1.26 -4.25 116.55 113.59 1x3q n ASP 11 Ca 0.03 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.09 1x3q n ASP 11 Cb 0.52 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.85 1x3q n ASP 11 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x3q n GLU 12 N 0.00 1.93 -1.25 -0.67 1.02 -1.26 -4.88 120.64 115.52 1x3q n GLU 12 Ca 0.00 -4.15 0.00 0.00 -0.02 0.00 0.00 57.16 52.99 1x3q n GLU 12 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 1x3q n GLU 12 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1x3q n ILE 13 N 0.89 0.00 0.73 -3.67 -0.00 -1.26 -4.86 119.36 111.20 1x3q n ILE 13 Ca 0.27 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 63.12 1x3q n ILE 13 Cb 0.46 -0.42 -0.11 0.00 -0.00 0.00 0.00 39.64 39.57 1x3q n ILE 13 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1x3q n VAL 14 N 1.34 0.01 -3.13 1.39 0.31 -1.24 -4.72 118.33 112.28 1x3q n VAL 14 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1x3q n VAL 14 Cb 0.00 0.69 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 1x3q n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x3q n GLU 15 N -1.71 0.00 0.00 5.55 1.02 -1.26 -4.86 120.64 119.38 1x3q n GLU 15 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1x3q n GLU 15 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 1x3q n GLU 15 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1x3q n LYS 16 N 0.00 0.00 -0.87 3.49 0.00 -1.26 -3.72 118.16 115.80 1x3q n LYS 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1x3q n LYS 16 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1x3q n LYS 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1x3q n ARG 17 N 0.00 -2.03 0.00 -1.58 1.85 -1.23 -4.92 116.66 108.75 1x3q n ARG 17 Ca 0.00 1.59 0.00 0.00 -1.00 0.00 0.00 57.85 58.44 1x3q n ARG 17 Cb 0.00 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 1x3q n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1x3q n GLY 18 N 0.25 4.12 3.37 2.89 0.00 -1.25 -4.76 105.19 109.80 1x3q n GLY 18 Ca 0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 0.28 -0.18 1.61 4.01 0.10 -4.81 118.16 119.18 1x3q n LYS 19 Ca 0.00 0.11 0.24 0.00 -0.51 0.00 0.00 58.31 58.16 1x3q n LYS 19 Cb 0.00 -1.42 0.64 0.00 -0.51 0.00 0.00 35.03 33.75 1x3q n LYS 19 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1x3q h GLY 20 N 0.08 0.33 -4.67 0.72 0.00 -2.04 -1.68 103.07 95.81 1x3q h GLY 20 Ca -0.44 -0.07 -0.48 0.00 0.00 0.00 0.00 47.33 46.34 1x3q h GLY 20 CO 0.44 -0.01 -0.92 1.17 0.00 0.00 0.00 176.54 177.22 1x3q n LYS 21 N -4.37 2.57 0.00 4.80 3.00 -1.26 -4.98 118.16 117.91 1x3q n LYS 21 Ca 0.18 -3.99 0.00 0.00 -0.00 0.00 0.00 58.31 54.50 1x3q n LYS 21 Cb 0.83 -1.87 0.00 0.00 0.00 0.00 0.00 35.03 33.99 1x3q n LYS 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1x3q n ASP 22 N -0.37 0.00 -4.63 3.14 -0.08 -0.63 -5.18 116.55 108.79 1x3q n ASP 22 Ca 0.27 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.31 1x3q n ASP 22 Cb 0.75 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.13 1x3q n ASP 22 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1x3q s VAL 23 N 0.00 2.72 -0.02 5.18 1.01 -1.26 0.02 120.40 128.06 1x3q s VAL 23 Ca 0.00 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 59.73 1x3q s VAL 23 Cb 0.00 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.66 1x3q s VAL 23 CO 0.00 -0.22 0.71 -1.83 0.00 0.00 0.00 175.10 173.76 1x3q s GLU 24 N -3.72 1.04 -0.09 2.72 -1.05 -1.26 -0.04 118.70 116.30 1x3q s GLU 24 Ca 0.35 0.06 -0.00 0.00 -0.15 0.00 0.00 54.97 55.22 1x3q s GLU 24 Cb -0.01 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.19 1x3q s GLU 24 CO 0.19 -0.36 -0.06 0.71 0.95 0.00 0.00 175.26 176.70 1x3q s TYR 25 N -1.84 1.15 0.00 4.83 1.51 -1.04 -3.56 117.35 118.40 1x3q s TYR 25 Ca -0.06 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1x3q s TYR 25 Cb -0.00 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1x3q s TYR 25 CO 0.03 -0.39 0.00 1.28 -1.11 0.00 0.00 175.55 175.36 1x3q n LEU 26 N 4.75 0.00 -2.29 -1.29 4.77 -1.24 -4.35 117.00 117.35 1x3q n LEU 26 Ca -0.14 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.80 1x3q n LEU 26 Cb 0.50 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1x3q n LEU 26 CO 0.17 0.00 0.07 0.52 -1.33 0.00 0.00 177.39 176.81 1x3q n VAL 27 N 0.00 1.36 0.00 4.08 0.31 -1.26 -1.46 118.33 121.37 1x3q n VAL 27 Ca 0.00 -2.87 0.00 0.00 -0.01 0.00 0.00 64.34 61.46 1x3q n VAL 27 Cb 0.00 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 -0.46 0.00 0.00 5.55 -4.01 -1.26 -3.72 116.66 112.75 1x3q n ARG 28 Ca 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.96 1x3q n ARG 28 Cb 0.89 -0.51 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 -2.50 0.00 -0.09 2.89 -0.00 -1.26 -3.93 117.44 112.54 1x3q n TRP 29 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.29 1x3q n TRP 29 Cb 0.30 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.49 1x3q n TRP 29 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1x3q h LYS 30 N 0.00 0.02 -2.60 -2.67 1.63 -1.94 -3.44 116.57 107.56 1x3q h LYS 30 Ca 0.00 -0.03 -0.28 0.00 -0.85 0.00 0.00 60.65 59.49 1x3q h LYS 30 Cb 0.00 0.01 0.06 0.00 -0.60 0.00 0.00 32.23 31.70 1x3q h LYS 30 CO 0.00 1.02 -0.32 -0.40 -3.45 0.00 0.00 179.45 176.30 1x3q n ASP 31 N -4.39 -0.88 0.08 4.20 5.75 -1.26 -4.89 116.55 115.16 1x3q n ASP 31 Ca -0.31 0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1x3q n ASP 31 Cb 0.69 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1x3q n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x3q n GLY 32 N 0.94 -0.82 0.14 6.12 0.00 -1.26 -4.90 105.19 105.40 1x3q n GLY 32 Ca 0.06 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1x3q n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3q n GLY 33 N -0.50 -0.52 3.11 -0.02 0.00 -1.26 -4.97 105.19 101.03 1x3q n GLY 33 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1x3q n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3q s ASP 34 N -6.94 1.22 0.10 1.61 1.11 -1.26 -5.14 116.67 107.37 1x3q s ASP 34 Ca -0.25 -0.59 -0.30 0.00 0.18 0.00 0.00 52.55 51.59 1x3q s ASP 34 Cb 0.07 -0.00 -0.06 0.00 1.07 0.00 0.00 42.92 44.00 1x3q s ASP 34 CO 0.73 -0.15 1.00 0.00 1.18 0.00 0.00 175.17 177.94 1x3q n GLU 36 N 2.99 2.89 -1.61 0.00 -0.58 -1.26 -5.05 120.64 118.02 1x3q n GLU 36 Ca 0.03 -1.96 -0.48 0.00 -0.42 0.00 0.00 57.16 54.33 1x3q n GLU 36 Cb 0.49 -1.23 -0.04 0.00 -0.57 0.00 0.00 31.44 30.08 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 0.23 1.67 -3.64 -0.32 2.14 -0.53 -4.99 117.44 111.99 1x3q n TRP 37 Ca 0.09 0.56 -0.20 0.00 2.07 0.00 0.00 57.50 60.02 1x3q n TRP 37 Cb 0.41 -2.37 -0.02 0.00 -0.81 0.00 0.00 31.31 28.52 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 0.17 3.56 0.04 -1.67 -7.23 -1.26 -4.88 120.40 109.13 1x3q s VAL 38 Ca 0.76 -1.24 -0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1x3q s VAL 38 Cb -0.81 -3.22 -0.03 0.00 0.56 0.00 0.00 36.38 32.88 1x3q s VAL 38 CO 0.48 -0.14 0.07 0.29 -0.31 0.00 0.00 175.10 175.50 1x3q n LYS 39 N -1.50 0.00 -0.04 4.82 5.02 -1.26 -2.50 118.16 122.69 1x3q n LYS 39 Ca -0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1x3q n LYS 39 Cb 0.59 -0.17 -0.13 0.00 -0.02 0.00 0.00 35.03 35.31 1x3q n LYS 39 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1x3q h GLY 40 N 0.14 0.15 -0.97 0.72 0.00 -0.75 -3.19 103.07 99.18 1x3q h GLY 40 Ca -0.05 -0.38 0.21 0.00 0.00 0.00 0.00 47.33 47.11 1x3q h GLY 40 CO 0.09 0.33 -0.20 -0.62 0.00 0.00 0.00 176.54 176.15 1x3q n VAL 41 N -4.13 -0.41 0.14 4.60 0.31 -1.26 0.19 118.33 117.77 1x3q n VAL 41 Ca -0.27 2.20 0.04 0.00 -0.01 0.00 0.00 64.34 66.30 1x3q n VAL 41 Cb 0.79 -3.07 0.03 0.00 -0.91 0.00 0.00 33.84 30.69 1x3q n VAL 41 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1x3q h HIS 42 N 0.00 0.00 -0.95 3.52 2.07 -1.96 -3.29 115.15 114.54 1x3q h HIS 42 Ca 0.48 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 57.36 1x3q h HIS 42 Cb 0.79 0.00 -0.28 0.00 2.57 0.00 0.00 27.41 30.49 1x3q h HIS 42 CO -0.70 0.40 0.84 0.28 -3.07 0.00 0.00 177.93 175.67 1x3q n VAL 43 N -3.12 3.56 -3.39 6.12 0.31 0.52 -4.89 118.33 117.43 1x3q n VAL 43 Ca 0.01 -2.81 -0.18 0.00 -0.01 0.00 0.00 64.34 61.35 1x3q n VAL 43 Cb 0.70 -1.17 0.04 0.00 -0.91 0.00 0.00 33.84 32.50 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 -0.81 -2.54 0.13 3.52 0.00 0.76 -4.58 120.51 117.00 1x3q n ALA 44 Ca 0.60 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.86 1x3q n ALA 44 Cb 0.66 -3.82 -0.06 0.00 0.00 0.00 0.00 19.45 16.23 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 -0.92 -0.42 -0.95 0.00 4.81 -0.11 -2.06 114.58 114.93 1x3q h GLU 45 Ca -0.48 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 1x3q h GLU 45 Cb 1.26 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1x3q h GLU 45 CO 0.41 -0.28 0.09 -3.47 -0.73 0.00 0.00 179.01 175.04 1x3q n ASP 46 N -5.34 2.76 -0.01 1.04 -0.08 -1.26 -2.68 116.55 110.98 1x3q n ASP 46 Ca -0.07 -2.33 -0.01 0.00 -1.51 0.00 0.00 54.79 50.86 1x3q n ASP 46 Cb 0.25 -0.57 -0.00 0.00 2.34 0.00 0.00 41.12 43.14 1x3q n ASP 46 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1x3q n VAL 47 N 0.12 0.06 0.18 5.18 0.31 -0.81 -4.73 118.33 118.63 1x3q n VAL 47 Ca 0.12 -0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.54 1x3q n VAL 47 Cb 0.66 -0.91 -0.01 0.00 -0.91 0.00 0.00 33.84 32.68 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 -2.73 2.69 0.01 3.52 0.00 -0.98 -4.24 120.51 118.78 1x3q n ALA 48 Ca -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 1x3q n ALA 48 Cb 0.52 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.28 -0.11 0.00 2.10 -1.73 -1.15 116.57 115.40 1x3q h LYS 49 Ca 0.00 0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.65 1x3q h LYS 49 Cb 0.95 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 1x3q h LYS 49 CO 0.00 -0.18 -0.02 -0.44 -2.00 0.00 0.00 179.45 176.81 1x3q h ASP 50 N -0.29 0.14 0.32 7.07 3.32 -1.86 0.38 116.42 125.51 1x3q h ASP 50 Ca 0.09 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1x3q h ASP 50 Cb 0.42 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1x3q h ASP 50 CO -0.27 0.19 -0.15 0.22 -1.72 0.00 0.00 179.24 177.50 1x3q h TYR 51 N 0.15 -0.40 0.00 4.55 3.20 -1.43 -3.30 116.97 119.75 1x3q h TYR 51 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1x3q h TYR 51 Cb 0.14 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1x3q h TYR 51 CO 0.00 -0.10 -0.05 1.49 -1.64 0.00 0.00 178.16 177.87 1x3q h GLU 52 N -0.69 0.00 -0.48 1.82 4.22 -1.17 -3.04 114.58 115.25 1x3q h GLU 52 Ca -0.04 0.00 0.17 0.00 0.08 0.00 0.00 59.36 59.57 1x3q h GLU 52 Cb 0.48 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.64 1x3q h GLU 52 CO 0.07 0.00 0.16 -0.40 -2.18 0.00 0.00 179.01 176.66 1x3q n ASP 53 N -3.86 0.08 -0.04 1.04 5.75 0.11 0.12 116.55 119.75 1x3q n ASP 53 Ca -0.01 0.80 -0.20 0.00 -0.01 0.00 0.00 54.79 55.37 1x3q n ASP 53 Cb 0.02 -0.35 -0.13 0.00 -1.03 0.00 0.00 41.12 39.63 1x3q n ASP 53 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1x3q h GLY 54 N 0.00 0.13 0.00 6.12 0.00 -1.73 -3.30 103.07 104.29 1x3q h GLY 54 Ca 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1x3q h GLY 54 CO -0.40 0.29 0.00 1.04 0.00 0.00 0.00 176.54 177.47 1x3q n LEU 55 N -4.26 0.25 -2.41 3.11 4.77 0.33 -3.94 117.00 114.85 1x3q n LEU 55 Ca -0.23 0.13 -0.21 0.00 -0.03 0.00 0.00 56.01 55.67 1x3q n LEU 55 Cb 0.73 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.69 1x3q n LEU 55 CO 0.33 0.00 2.14 -0.62 -1.33 0.00 0.00 177.39 177.91 1x3q n GLU 56 N -0.17 2.54 0.00 3.23 1.02 -0.29 -4.70 120.64 122.27 1x3q n GLU 56 Ca 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.71 1x3q n GLU 56 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 1x3q n GLU 56 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29