#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 0.00 -3.55 1.61 7.64 -1.26 -5.10 113.62 112.96 1x3q n SER 2 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1x3q n SER 2 Cb 0.00 0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.19 1x3q n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x3q s GLN 3 N -1.13 0.70 0.00 1.43 1.03 -1.26 -4.64 119.66 115.79 1x3q s GLN 3 Ca 0.00 0.04 0.00 0.00 0.04 0.00 0.00 55.36 55.44 1x3q s GLN 3 Cb 0.00 0.33 0.00 0.00 0.03 0.00 0.00 33.01 33.37 1x3q s GLN 3 CO 0.00 -0.25 0.00 0.28 -2.54 0.00 0.00 175.29 172.78 1x3q n VAL 4 N 0.49 0.00 -0.85 3.63 0.31 -1.26 -4.88 118.33 115.76 1x3q n VAL 4 Ca -0.11 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 1x3q n VAL 4 Cb 0.59 -0.02 0.14 0.00 -0.91 0.00 0.00 33.84 33.64 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 0.12 -0.34 3.52 3.01 -1.26 -4.85 117.46 117.65 1x3q n PHE 5 Ca 0.00 0.35 0.14 0.00 1.01 0.00 0.00 57.45 58.94 1x3q n PHE 5 Cb 0.00 -1.95 0.34 0.00 -0.01 0.00 0.00 39.48 37.86 1x3q n PHE 5 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1x3q h GLU 6 N -1.46 0.71 -4.15 -1.08 5.08 -2.04 -3.47 114.58 108.18 1x3q h GLU 6 Ca -0.44 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 57.75 1x3q h GLU 6 Cb 1.29 -0.16 0.10 0.00 0.50 0.00 0.00 28.75 30.47 1x3q h GLU 6 CO 0.40 0.47 -0.41 0.66 -1.00 0.00 0.00 179.01 179.13 1x3q n TYR 7 N -4.73 -1.19 -2.87 4.33 4.01 -1.26 -5.00 117.16 110.45 1x3q n TYR 7 Ca 0.23 0.42 -0.21 0.00 -0.16 0.00 0.00 57.90 58.18 1x3q n TYR 7 Cb 0.58 -3.31 -0.02 0.00 -0.31 0.00 0.00 39.34 36.29 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 -2.36 3.79 0.08 -0.72 0.00 -1.26 -4.83 120.51 115.21 1x3q n ALA 8 Ca -0.04 -4.00 -0.12 0.00 0.00 0.00 0.00 53.44 49.28 1x3q n ALA 8 Cb 0.56 -0.78 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 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 2.91 0.16 -6.57 0.00 4.11 -1.90 -3.48 114.58 109.80 1x3q h GLU 9 Ca 0.12 -0.27 -0.51 0.00 0.07 0.00 0.00 59.36 58.76 1x3q h GLU 9 Cb 0.83 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.12 1x3q h GLU 9 CO 0.68 1.10 -0.91 1.55 0.07 0.00 0.00 179.01 181.51 1x3q n VAL 10 N -3.44 -2.97 0.00 -1.06 3.14 -1.22 -4.07 118.33 108.72 1x3q n VAL 10 Ca -0.06 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1x3q n VAL 10 Cb 1.00 -2.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.24 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 -2.93 0.00 -2.89 6.55 2.03 -1.26 -4.37 116.55 113.67 1x3q n ASP 11 Ca -0.29 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.73 1x3q n ASP 11 Cb 0.68 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.05 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 3.43 -1.10 -0.67 -0.58 -1.26 -4.91 120.64 115.55 1x3q n GLU 12 Ca 0.00 -4.76 0.00 0.00 -0.42 0.00 0.00 57.16 51.98 1x3q n GLU 12 Cb 0.00 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 28.61 1x3q n GLU 12 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1x3q n ILE 13 N -0.29 0.00 -0.09 -3.67 -0.00 -1.26 -4.90 119.36 109.14 1x3q n ILE 13 Ca 0.34 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.99 1x3q n ILE 13 Cb 0.43 -0.55 -0.13 0.00 -0.00 0.00 0.00 39.64 39.40 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 1.38 1.23 -3.46 7.28 0.31 -1.26 -4.84 118.33 118.97 1x3q n VAL 14 Ca 0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1x3q n VAL 14 Cb 0.00 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1x3q n VAL 14 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1x3q n GLU 15 N -2.80 1.32 0.00 5.55 2.13 -1.26 -4.87 120.64 120.71 1x3q n GLU 15 Ca -0.32 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.50 1x3q n GLU 15 Cb 1.03 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.74 1x3q n GLU 15 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1x3q n LYS 16 N 0.00 0.00 0.00 5.31 2.85 -1.26 -3.92 118.16 121.14 1x3q n LYS 16 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1x3q n LYS 16 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1x3q n LYS 16 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1x3q n ARG 17 N -0.14 0.00 0.00 -1.58 1.85 -1.23 -4.97 116.66 110.59 1x3q n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1x3q n ARG 17 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 0.00 -0.67 5.51 2.89 0.00 -1.26 -4.32 105.19 107.34 1x3q n GLY 18 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1x3q n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x3q n LYS 19 N 0.00 0.00 0.10 1.61 3.00 -1.09 -3.78 118.16 118.00 1x3q n LYS 19 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.51 1x3q n LYS 19 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 35.03 35.71 1x3q n LYS 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1x3q h GLY 20 N 0.00 0.00 -5.62 3.14 0.00 -2.03 -2.50 103.07 96.06 1x3q h GLY 20 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 1x3q h GLY 20 CO 0.00 0.00 -1.15 0.28 0.00 0.00 0.00 176.54 175.67 1x3q n LYS 21 N -3.42 1.03 -1.30 4.80 5.02 -1.25 -5.08 118.16 117.96 1x3q n LYS 21 Ca 0.08 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 1x3q n LYS 21 Cb 0.75 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 0.16 -6.17 -4.73 4.39 8.00 -0.94 -4.86 116.55 112.39 1x3q n ASP 22 Ca 0.19 0.80 -0.23 0.00 0.71 0.00 0.00 54.79 56.25 1x3q n ASP 22 Cb 0.72 -3.08 -0.06 0.00 -0.02 0.00 0.00 41.12 38.67 1x3q n ASP 22 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1x3q s VAL 23 N -0.76 2.97 -0.26 2.53 -7.23 -1.26 -2.65 120.40 113.74 1x3q s VAL 23 Ca 0.00 -1.71 -0.27 0.00 -1.81 0.00 0.00 61.98 58.20 1x3q s VAL 23 Cb 0.00 -2.97 0.15 0.00 0.56 0.00 0.00 36.38 34.12 1x3q s VAL 23 CO 0.00 -0.17 1.16 -1.83 -0.31 0.00 0.00 175.10 173.95 1x3q s GLU 24 N -3.84 0.37 -0.20 4.82 -1.05 -1.26 -1.48 118.70 116.05 1x3q s GLU 24 Ca 0.38 0.31 -0.03 0.00 -0.15 0.00 0.00 54.97 55.48 1x3q s GLU 24 Cb -0.02 0.18 0.06 0.00 -0.44 0.00 0.00 34.13 33.91 1x3q s GLU 24 CO 0.22 -0.07 0.03 0.71 0.95 0.00 0.00 175.26 177.11 1x3q s TYR 25 N -0.24 1.06 0.00 4.83 1.51 -0.87 -3.55 117.35 120.09 1x3q s TYR 25 Ca 0.04 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.21 1x3q s TYR 25 Cb -0.04 -1.04 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1x3q s TYR 25 CO -0.07 -0.62 0.00 -0.11 -1.11 0.00 0.00 175.55 173.64 1x3q n LEU 26 N 5.04 0.00 -2.13 -1.29 7.94 -1.25 -4.74 117.00 120.57 1x3q n LEU 26 Ca -0.09 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.76 1x3q n LEU 26 Cb 0.47 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.47 1x3q n LEU 26 CO 0.13 0.00 0.10 0.52 -1.11 0.00 0.00 177.39 177.03 1x3q n VAL 27 N 0.00 1.50 0.03 1.96 0.31 -1.26 -1.42 118.33 119.45 1x3q n VAL 27 Ca 0.00 -2.98 0.00 0.00 -0.01 0.00 0.00 64.34 61.35 1x3q n VAL 27 Cb 0.00 0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 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 -0.50 0.00 0.00 5.55 -4.01 -1.26 -4.26 116.66 112.19 1x3q n ARG 28 Ca 0.18 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.99 1x3q n ARG 28 Cb 0.90 -0.37 0.00 0.00 -3.04 0.00 0.00 32.46 29.95 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 -3.08 0.00 0.00 2.89 -0.00 -1.26 -3.39 117.44 112.59 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 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.56 1x3q n TRP 29 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1x3q n LYS 30 N 0.00 0.00 -0.78 -2.67 2.85 -1.26 -4.64 118.16 111.66 1x3q n LYS 30 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 1x3q n LYS 30 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1x3q n LYS 30 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1x3q n ASP 31 N 0.00 -3.88 0.00 -5.58 5.68 -1.26 -5.02 116.55 106.48 1x3q n ASP 31 Ca 0.00 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 1x3q n ASP 31 Cb 0.00 -2.56 0.00 0.00 -1.14 0.00 0.00 41.12 37.42 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 -2.57 -1.57 0.13 6.12 0.00 -1.26 -4.97 105.19 101.07 1x3q n GLY 32 Ca -0.01 0.55 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 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 0.27 -2.24 -0.02 0.00 -2.06 -3.48 103.07 95.54 1x3q h GLY 33 Ca 0.00 -0.68 -0.40 0.00 0.00 0.00 0.00 47.33 46.25 1x3q h GLY 33 CO 0.00 0.60 -0.62 0.99 0.00 0.00 0.00 176.54 177.51 1x3q s ASP 34 N -7.04 1.73 -0.01 0.19 1.11 -1.26 -5.15 116.67 106.25 1x3q s ASP 34 Ca -0.23 -1.36 -0.19 0.00 0.18 0.00 0.00 52.55 50.96 1x3q s ASP 34 Cb 0.06 0.05 -0.05 0.00 1.07 0.00 0.00 42.92 44.04 1x3q s ASP 34 CO 0.75 -0.65 0.54 0.00 1.18 0.00 0.00 175.17 176.99 1x3q n GLU 36 N 2.57 2.79 -1.61 0.00 -0.58 -1.26 -5.04 120.64 117.50 1x3q n GLU 36 Ca -0.09 -2.47 -0.45 0.00 -0.42 0.00 0.00 57.16 53.73 1x3q n GLU 36 Cb 0.51 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.79 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 1.52 -3.87 -0.32 2.14 -0.50 -4.99 117.44 111.19 1x3q n TRP 37 Ca 0.16 0.64 -0.11 0.00 2.07 0.00 0.00 57.50 60.27 1x3q n TRP 37 Cb 0.67 -2.30 -0.10 0.00 -0.81 0.00 0.00 31.31 28.77 1x3q n TRP 37 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1x3q s VAL 38 N -0.75 0.09 0.35 -1.67 1.01 -1.26 -4.91 120.40 113.26 1x3q s VAL 38 Ca 0.62 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1x3q s VAL 38 Cb -0.71 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1x3q s VAL 38 CO 0.57 -0.40 0.00 0.29 0.00 0.00 0.00 175.10 175.56 1x3q n LYS 39 N 1.31 -2.77 0.07 2.72 5.02 -1.26 -4.31 118.16 118.94 1x3q n LYS 39 Ca -0.22 2.10 0.00 0.00 -2.02 0.00 0.00 58.31 58.17 1x3q n LYS 39 Cb 0.56 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 1x3q n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x3q n GLY 40 N -1.59 -0.11 0.38 0.72 0.00 -0.55 -2.05 105.19 101.99 1x3q n GLY 40 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 1x3q n GLY 40 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1x3q h VAL 41 N 0.00 0.51 0.23 1.61 3.04 -1.88 1.52 116.25 121.27 1x3q h VAL 41 Ca 0.00 -0.16 -0.34 0.00 -1.01 0.00 0.00 66.70 65.19 1x3q h VAL 41 Cb 0.01 0.01 0.03 0.00 -2.01 0.00 0.00 31.29 29.33 1x3q h VAL 41 CO 0.00 0.08 -1.59 -0.74 -1.01 0.00 0.00 177.57 174.32 1x3q h HIS 42 N 0.45 0.89 -0.75 3.17 6.17 -1.95 -3.34 115.15 119.80 1x3q h HIS 42 Ca 0.63 -0.65 -0.47 0.00 0.71 0.00 0.00 60.37 60.59 1x3q h HIS 42 Cb 1.44 -0.04 -0.20 0.00 2.52 0.00 0.00 27.41 31.14 1x3q h HIS 42 CO -0.00 1.61 0.59 0.28 0.71 0.00 0.00 177.93 181.12 1x3q n VAL 43 N -3.68 3.14 -2.96 5.26 0.31 0.11 -4.86 118.33 115.65 1x3q n VAL 43 Ca -0.20 -2.28 -0.05 0.00 -0.01 0.00 0.00 64.34 61.80 1x3q n VAL 43 Cb 1.09 -1.29 0.01 0.00 -0.91 0.00 0.00 33.84 32.73 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 -0.07 -2.77 -1.00 3.52 0.00 0.11 -4.45 120.51 115.85 1x3q n ALA 44 Ca 0.43 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.49 1x3q n ALA 44 Cb 0.59 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1x3q n ALA 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x3q n GLU 45 N -1.00 0.00 0.00 0.00 2.13 0.48 -1.69 120.64 120.56 1x3q n GLU 45 Ca 0.06 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.94 1x3q n GLU 45 Cb 0.48 -0.99 0.30 0.00 0.27 0.00 0.00 31.44 31.51 1x3q n GLU 45 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1x3q n ASP 46 N -0.50 0.00 0.10 4.31 5.75 -1.26 -2.01 116.55 122.95 1x3q n ASP 46 Ca 0.00 0.40 -0.20 0.00 -0.01 0.00 0.00 54.79 54.97 1x3q n ASP 46 Cb 0.00 -0.45 -0.15 0.00 -1.03 0.00 0.00 41.12 39.50 1x3q n ASP 46 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1x3q h VAL 47 N 0.00 1.25 0.00 2.12 2.07 -1.93 -3.32 116.25 116.45 1x3q h VAL 47 Ca 0.00 -2.79 -0.25 0.00 0.82 0.00 0.00 66.70 64.48 1x3q h VAL 47 Cb 0.20 2.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 1x3q h VAL 47 CO 0.00 0.84 -1.32 0.00 0.02 0.00 0.00 177.57 177.12 1x3q h ALA 48 N 0.34 0.54 -0.06 1.67 0.00 -0.99 -3.35 119.26 117.41 1x3q h ALA 48 Ca -0.24 -1.16 -0.00 0.00 0.00 0.00 0.00 54.91 53.51 1x3q h ALA 48 Cb 2.07 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 1x3q h ALA 48 CO 0.21 1.40 0.03 1.57 0.00 0.00 0.00 179.25 182.47 1x3q h LYS 49 N 0.00 0.09 0.00 0.00 5.09 -1.53 -2.03 116.57 118.19 1x3q h LYS 49 Ca -0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 60.65 60.59 1x3q h LYS 49 Cb 1.88 -0.02 -0.00 0.00 0.10 0.00 0.00 32.23 34.19 1x3q h LYS 49 CO 0.11 0.15 -0.01 -0.44 -2.09 0.00 0.00 179.45 177.17 1x3q h ASP 50 N 0.01 0.00 0.22 7.07 3.32 -1.73 0.52 116.42 125.83 1x3q h ASP 50 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1x3q h ASP 50 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1x3q h ASP 50 CO -0.00 0.01 -0.11 0.22 -1.72 0.00 0.00 179.24 177.64 1x3q h TYR 51 N 0.00 -0.28 0.00 4.55 5.03 -1.56 -3.39 116.97 121.32 1x3q h TYR 51 Ca -0.00 -0.01 -0.38 0.00 2.58 0.00 0.00 58.73 60.93 1x3q h TYR 51 Cb 0.01 0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.32 1x3q h TYR 51 CO 0.00 0.07 -2.30 -1.91 -1.32 0.00 0.00 178.16 172.70 1x3q n GLU 52 N -5.06 0.52 -0.36 1.82 0.00 -0.82 -4.25 120.64 112.48 1x3q n GLU 52 Ca -0.09 0.19 0.30 0.00 0.00 0.00 0.00 57.16 57.56 1x3q n GLU 52 Cb 0.25 -1.37 0.50 0.00 0.00 0.00 0.00 31.44 30.82 1x3q n GLU 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1x3q n ASP 53 N -3.77 0.13 0.00 4.31 2.03 0.18 0.17 116.55 119.60 1x3q n ASP 53 Ca -0.44 0.94 -0.21 0.00 0.52 0.00 0.00 54.79 55.60 1x3q n ASP 53 Cb 0.86 -0.46 -0.14 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.25 0.00 0.27 0.00 -1.76 -3.29 103.07 98.54 1x3q h GLY 54 Ca 0.63 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1x3q h GLY 54 CO -0.28 0.56 0.00 1.04 0.00 0.00 0.00 176.54 177.86 1x3q n LEU 55 N -4.02 0.03 -2.64 3.11 4.32 0.46 -4.01 117.00 114.26 1x3q n LEU 55 Ca -0.23 0.02 -0.26 0.00 -0.02 0.00 0.00 56.01 55.52 1x3q n LEU 55 Cb 0.85 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.56 1x3q n LEU 55 CO 0.40 0.00 2.25 1.21 -1.22 0.00 0.00 177.39 180.03 1x3q n GLU 56 N -0.02 2.87 0.00 3.23 2.13 -0.74 -4.46 120.64 123.65 1x3q n GLU 56 Ca 0.00 -1.84 0.00 0.00 0.66 0.00 0.00 57.16 55.98 1x3q n GLU 56 Cb 0.00 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.37 1x3q n GLU 56 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20