#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3q s SER 2 N 0.00 -0.49 -0.29 1.61 0.01 -1.26 -5.02 113.70 108.27 1x3q s SER 2 Ca 0.00 0.87 -0.14 0.00 1.31 0.00 0.00 55.95 57.98 1x3q s SER 2 Cb 0.00 1.02 0.10 0.00 0.21 0.00 0.00 66.02 67.34 1x3q s SER 2 CO 0.00 -0.14 0.69 -1.10 0.41 0.00 0.00 173.24 173.10 1x3q s GLN 3 N 0.71 0.66 0.00 12.44 -0.21 -1.26 -4.37 119.66 127.62 1x3q s GLN 3 Ca -0.02 1.27 0.00 0.00 0.02 0.00 0.00 55.36 56.63 1x3q s GLN 3 Cb -0.04 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.30 1x3q s GLN 3 CO -0.10 -0.16 0.00 0.28 -2.12 0.00 0.00 175.29 173.19 1x3q n VAL 4 N 4.61 0.00 0.00 1.09 0.31 -1.26 -4.93 118.33 118.15 1x3q n VAL 4 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1x3q n VAL 4 Cb 0.56 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 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 0.00 -0.17 -0.06 3.52 7.35 -1.26 -4.95 117.46 121.89 1x3q n PHE 5 Ca 0.00 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.52 1x3q n PHE 5 Cb 0.00 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.69 1x3q n PHE 5 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1x3q n GLU 6 N 0.00 0.70 -2.50 -4.13 0.28 -1.26 -5.04 120.64 108.69 1x3q n GLU 6 Ca 0.00 0.20 -0.06 0.00 -0.16 0.00 0.00 57.16 57.14 1x3q n GLU 6 Cb 0.00 -1.63 0.03 0.00 1.43 0.00 0.00 31.44 31.26 1x3q n GLU 6 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1x3q n TYR 7 N -3.26 -1.59 -2.55 -1.84 4.01 -1.26 -5.00 117.16 105.67 1x3q n TYR 7 Ca -0.35 0.58 -0.17 0.00 -0.16 0.00 0.00 57.90 57.80 1x3q n TYR 7 Cb 1.04 -3.31 0.02 0.00 -0.31 0.00 0.00 39.34 36.78 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 -2.12 4.16 -0.01 -0.72 0.00 -1.26 -4.85 120.51 115.72 1x3q n ALA 8 Ca -0.03 -3.65 -0.01 0.00 0.00 0.00 0.00 53.44 49.75 1x3q n ALA 8 Cb 0.54 -0.72 0.26 0.00 0.00 0.00 0.00 19.45 19.53 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 2.74 0.54 -4.78 0.00 9.09 -1.88 -3.46 114.58 116.83 1x3q h GLU 9 Ca 0.10 -0.13 -0.25 0.00 0.05 0.00 0.00 59.36 59.13 1x3q h GLU 9 Cb 1.10 -0.07 -0.05 0.00 -1.65 0.00 0.00 28.75 28.09 1x3q h GLU 9 CO 0.64 0.60 -0.34 1.55 0.05 0.00 0.00 179.01 181.51 1x3q n VAL 10 N -4.24 -0.55 0.00 -1.06 3.14 -1.24 -4.07 118.33 110.31 1x3q n VAL 10 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1x3q n VAL 10 Cb 0.28 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 1x3q n VAL 10 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1x3q n ASP 11 N -1.91 0.00 -2.70 6.55 8.00 -1.26 -4.15 116.55 121.07 1x3q n ASP 11 Ca -0.06 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.38 1x3q n ASP 11 Cb 0.56 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.74 1x3q n ASP 11 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1x3q n GLU 12 N 0.00 1.26 -1.71 -1.24 2.13 -1.26 -4.99 120.64 114.84 1x3q n GLU 12 Ca 0.00 -2.35 0.00 0.00 0.66 0.00 0.00 57.16 55.47 1x3q n GLU 12 Cb 0.00 -0.50 0.00 0.00 0.27 0.00 0.00 31.44 31.21 1x3q n GLU 12 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1x3q n ILE 13 N -0.58 -3.38 -0.03 6.31 -5.35 -1.26 -4.87 119.36 110.20 1x3q n ILE 13 Ca -0.01 1.24 -0.03 0.00 -0.27 0.00 0.00 62.75 63.68 1x3q n ILE 13 Cb 0.84 -1.79 -0.05 0.00 -1.74 0.00 0.00 39.64 36.90 1x3q n ILE 13 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1x3q n VAL 14 N 0.84 0.42 -3.89 7.28 0.31 -1.26 -4.84 118.33 117.20 1x3q n VAL 14 Ca 0.00 -0.25 -0.07 0.00 -0.01 0.00 0.00 64.34 64.01 1x3q n VAL 14 Cb 0.00 -0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 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 -2.27 0.26 -3.82 5.55 1.02 -1.26 -4.90 120.64 115.22 1x3q n GLU 15 Ca -0.10 -1.27 -0.02 0.00 -0.02 0.00 0.00 57.16 55.74 1x3q n GLU 15 Cb 0.69 1.17 0.01 0.00 -0.02 0.00 0.00 31.44 33.28 1x3q n GLU 15 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1x3q s LYS 16 N -2.42 1.13 0.00 3.49 0.00 -1.26 -3.32 119.74 117.36 1x3q s LYS 16 Ca 0.14 -0.69 0.00 0.00 0.00 0.00 0.00 55.97 55.42 1x3q s LYS 16 Cb -0.00 0.34 0.00 0.00 0.00 0.00 0.00 37.83 38.17 1x3q s LYS 16 CO 0.10 -0.53 0.00 -2.13 0.00 0.00 0.00 175.35 172.79 1x3q n ARG 17 N -0.62 0.00 -1.25 1.78 0.63 -1.25 -5.02 116.66 110.93 1x3q n ARG 17 Ca -0.04 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.62 1x3q n ARG 17 Cb 0.60 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.42 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 0.00 3.80 3.42 5.14 0.00 -1.24 -3.27 105.19 113.03 1x3q n GLY 18 Ca 0.00 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 2.75 -0.59 -0.34 1.61 4.81 0.45 -4.79 118.16 122.06 1x3q n LYS 19 Ca 0.60 -0.13 0.30 0.00 -0.87 0.00 0.00 58.31 58.20 1x3q n LYS 19 Cb 0.55 -1.89 0.56 0.00 0.02 0.00 0.00 35.03 34.27 1x3q n LYS 19 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1x3q h GLY 20 N -1.71 2.06 -5.64 3.14 0.00 -2.06 -2.39 103.07 96.46 1x3q h GLY 20 Ca -0.46 -0.18 -0.50 0.00 0.00 0.00 0.00 47.33 46.20 1x3q h GLY 20 CO 0.36 -0.63 -1.05 1.17 0.00 0.00 0.00 176.54 176.39 1x3q n LYS 21 N -5.10 1.64 0.00 4.80 4.81 -1.26 -5.03 118.16 118.02 1x3q n LYS 21 Ca 0.36 -3.76 0.00 0.00 -0.87 0.00 0.00 58.31 54.03 1x3q n LYS 21 Cb 1.19 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 34.45 1x3q n LYS 21 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1x3q n ASP 22 N 0.08 0.00 -2.82 3.14 8.00 -0.90 -5.07 116.55 118.97 1x3q n ASP 22 Ca 0.25 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.64 1x3q n ASP 22 Cb 0.62 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.77 1x3q n ASP 22 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1x3q n VAL 23 N 0.00 0.19 -3.84 2.53 3.14 -1.20 0.17 118.33 119.31 1x3q n VAL 23 Ca 0.00 -2.66 -0.23 0.00 -2.96 0.00 0.00 64.34 58.49 1x3q n VAL 23 Cb 0.00 0.73 -0.04 0.00 -1.06 0.00 0.00 33.84 33.47 1x3q n VAL 23 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1x3q s GLU 24 N -1.23 2.37 -0.31 1.45 -6.30 -1.25 -2.15 118.70 111.27 1x3q s GLU 24 Ca 0.28 -1.74 0.01 0.00 -2.50 0.00 0.00 54.97 51.02 1x3q s GLU 24 Cb 0.37 -2.17 0.10 0.00 0.00 0.00 0.00 34.13 32.43 1x3q s GLU 24 CO -0.05 -0.23 0.07 0.71 0.02 0.00 0.00 175.26 175.79 1x3q s TYR 25 N -2.57 2.54 0.00 5.30 1.51 -1.26 -3.97 117.35 118.90 1x3q s TYR 25 Ca 0.43 -2.22 0.00 0.00 -1.01 0.00 0.00 57.07 54.27 1x3q s TYR 25 Cb -0.00 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1x3q s TYR 25 CO 0.25 -0.90 0.00 1.28 -1.11 0.00 0.00 175.55 175.07 1x3q n LEU 26 N 4.61 0.00 -2.24 -1.29 4.77 -1.21 -4.66 117.00 116.97 1x3q n LEU 26 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1x3q n LEU 26 Cb 0.42 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1x3q n LEU 26 CO 0.16 0.00 0.15 0.52 -1.33 0.00 0.00 177.39 176.89 1x3q n VAL 27 N 0.00 0.58 0.02 4.08 0.31 -1.26 -0.24 118.33 121.82 1x3q n VAL 27 Ca 0.00 -1.77 0.00 0.00 -0.01 0.00 0.00 64.34 62.56 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 -0.37 0.00 0.00 5.55 -4.01 -1.26 -4.20 116.66 112.37 1x3q n ARG 28 Ca -0.01 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 1x3q n ARG 28 Cb 0.90 -0.39 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 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 -3.07 0.00 -0.10 2.89 -0.00 -1.26 -3.62 117.44 112.28 1x3q n TRP 29 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.31 1x3q n TRP 29 Cb 0.28 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.48 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 0.00 -2.41 -2.67 3.11 -1.95 -3.44 116.57 109.20 1x3q h LYS 30 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1x3q h LYS 30 Cb 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 32.23 31.30 1x3q h LYS 30 CO 0.00 0.88 -0.43 -0.40 -2.81 0.00 0.00 179.45 176.69 1x3q n ASP 31 N -4.48 -1.32 0.14 4.20 5.75 -1.26 -4.91 116.55 114.67 1x3q n ASP 31 Ca -0.27 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1x3q n ASP 31 Cb 0.61 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 0.98 -1.16 0.14 6.12 0.00 -1.26 -4.91 105.19 105.10 1x3q n GLY 32 Ca 0.04 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.91 -0.57 3.19 -0.02 0.00 -1.26 -4.97 105.19 100.65 1x3q n GLY 33 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -7.01 1.50 0.17 1.61 1.11 -1.26 -5.14 116.67 107.64 1x3q s ASP 34 Ca -0.21 -0.83 -0.26 0.00 0.18 0.00 0.00 52.55 51.42 1x3q s ASP 34 Cb 0.07 0.00 -0.08 0.00 1.07 0.00 0.00 42.92 43.98 1x3q s ASP 34 CO 0.77 -0.27 0.82 0.00 1.18 0.00 0.00 175.17 177.68 1x3q n GLU 36 N 1.76 2.60 -1.70 0.00 -0.58 -1.26 -5.03 120.64 116.43 1x3q n GLU 36 Ca -0.04 -2.74 -0.43 0.00 -0.42 0.00 0.00 57.16 53.52 1x3q n GLU 36 Cb 0.48 -1.74 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 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 -0.65 2.47 0.00 -0.32 2.14 0.67 -4.94 117.44 116.81 1x3q n TRP 37 Ca 0.20 0.34 0.00 0.00 2.07 0.00 0.00 57.50 60.11 1x3q n TRP 37 Cb 0.81 -2.53 0.00 0.00 -0.81 0.00 0.00 31.31 28.79 1x3q n TRP 37 CO 0.00 0.00 0.00 1.55 2.07 0.00 0.00 177.69 181.31 1x3q n VAL 38 N 2.12 0.00 -3.96 -1.67 3.14 -1.26 -4.88 118.33 111.81 1x3q n VAL 38 Ca 0.11 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.14 1x3q n VAL 38 Cb 0.34 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.98 1x3q n VAL 38 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1x3q s LYS 39 N 1.77 3.38 0.09 1.45 2.20 -1.26 -3.76 119.74 123.61 1x3q s LYS 39 Ca 0.00 -0.63 -0.15 0.00 -0.36 0.00 0.00 55.97 54.83 1x3q s LYS 39 Cb 0.00 -2.98 -0.09 0.00 -1.51 0.00 0.00 37.83 33.25 1x3q s LYS 39 CO 0.00 -0.17 1.41 0.78 -0.36 0.00 0.00 175.35 177.01 1x3q h GLY 40 N 8.01 0.75 -1.42 5.54 0.00 -1.73 -1.93 103.07 112.29 1x3q h GLY 40 Ca -0.41 -0.79 0.49 0.00 0.00 0.00 0.00 47.33 46.63 1x3q h GLY 40 CO 0.60 0.71 1.20 -0.24 0.00 0.00 0.00 176.54 178.81 1x3q h VAL 41 N 0.42 0.14 0.05 4.60 3.04 -1.91 1.40 116.25 123.98 1x3q h VAL 41 Ca 0.04 -0.00 -0.37 0.00 -1.01 0.00 0.00 66.70 65.36 1x3q h VAL 41 Cb 0.88 0.12 -0.05 0.00 -2.01 0.00 0.00 31.29 30.24 1x3q h VAL 41 CO 0.07 0.00 -2.19 1.41 -1.01 0.00 0.00 177.57 175.86 1x3q n HIS 42 N -4.09 0.61 -0.88 3.17 8.25 -1.19 -4.30 115.22 116.79 1x3q n HIS 42 Ca 0.38 0.15 -0.14 0.00 -0.26 0.00 0.00 57.72 57.85 1x3q n HIS 42 Cb 1.74 -1.09 0.01 0.00 1.12 0.00 0.00 29.99 31.77 1x3q n HIS 42 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1x3q n VAL 43 N -3.26 2.69 -3.25 1.59 0.31 0.44 -4.83 118.33 112.02 1x3q n VAL 43 Ca -0.36 -1.56 -0.11 0.00 -0.01 0.00 0.00 64.34 62.31 1x3q n VAL 43 Cb 1.04 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 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 0.70 -2.65 0.21 3.52 0.00 0.42 -4.67 120.51 118.05 1x3q n ALA 44 Ca 0.27 0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 1x3q n ALA 44 Cb 0.57 -1.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 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 0.65 -0.64 -0.63 0.00 4.81 -0.65 -2.31 114.58 115.80 1x3q h GLU 45 Ca -0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1x3q h GLU 45 Cb 1.14 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1x3q h GLU 45 CO 0.30 -0.43 0.00 -0.25 -0.73 0.00 0.00 179.01 177.90 1x3q n ASP 46 N -5.43 1.57 -0.08 1.04 9.92 -1.26 -2.88 116.55 119.43 1x3q n ASP 46 Ca -0.09 -2.12 -0.14 0.00 -0.53 0.00 0.00 54.79 51.91 1x3q n ASP 46 Cb 0.33 -0.38 -0.07 0.00 -0.64 0.00 0.00 41.12 40.36 1x3q n ASP 46 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1x3q n VAL 47 N 0.07 0.92 0.22 2.53 0.31 -0.92 -4.55 118.33 116.91 1x3q n VAL 47 Ca 0.06 -0.31 0.12 0.00 -0.01 0.00 0.00 64.34 64.19 1x3q n VAL 47 Cb 0.33 -1.30 0.10 0.00 -0.91 0.00 0.00 33.84 32.06 1x3q n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x3q h ALA 48 N -0.21 0.70 0.38 3.52 0.00 -1.52 -3.39 119.26 118.74 1x3q h ALA 48 Ca -0.38 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1x3q h ALA 48 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1x3q h ALA 48 CO -0.13 0.00 -0.18 1.57 0.00 0.00 0.00 179.25 180.51 1x3q h LYS 49 N 0.00 -0.49 -0.32 0.00 2.10 -1.76 -3.05 116.57 113.04 1x3q h LYS 49 Ca 0.00 0.03 0.09 0.00 -2.00 0.00 0.00 60.65 58.78 1x3q h LYS 49 Cb 0.96 0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 1x3q h LYS 49 CO 0.00 -0.18 0.45 -0.44 -2.00 0.00 0.00 179.45 177.28 1x3q h ASP 50 N -0.91 0.00 0.70 7.07 5.19 -1.80 0.36 116.42 127.02 1x3q h ASP 50 Ca -0.05 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.32 1x3q h ASP 50 Cb 0.54 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.06 1x3q h ASP 50 CO 0.09 0.00 -0.34 0.22 -3.12 0.00 0.00 179.24 176.09 1x3q h TYR 51 N 0.00 -0.87 0.01 4.55 5.03 -1.72 -3.36 116.97 120.61 1x3q h TYR 51 Ca 0.15 -0.02 -0.39 0.00 2.58 0.00 0.00 58.73 61.05 1x3q h TYR 51 Cb 1.04 0.29 -0.06 0.00 1.55 0.00 0.00 36.73 39.56 1x3q h TYR 51 CO 0.00 -0.52 -2.18 -1.91 -1.32 0.00 0.00 178.16 172.23 1x3q n GLU 52 N -5.45 0.61 -0.44 1.82 0.00 -0.63 -4.15 120.64 112.39 1x3q n GLU 52 Ca -0.13 0.32 0.35 0.00 0.00 0.00 0.00 57.16 57.69 1x3q n GLU 52 Cb 0.39 -1.58 0.56 0.00 0.00 0.00 0.00 31.44 30.81 1x3q n GLU 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1x3q n ASP 53 N -4.07 0.07 -0.00 4.31 5.75 0.12 0.17 116.55 122.89 1x3q n ASP 53 Ca -0.46 0.86 -0.21 0.00 -0.01 0.00 0.00 54.79 54.98 1x3q n ASP 53 Cb 0.87 -0.43 -0.14 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.23 0.00 6.12 0.00 -1.74 -3.31 103.07 104.37 1x3q h GLY 54 Ca 0.67 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1x3q h GLY 54 CO -0.16 0.52 0.00 1.04 0.00 0.00 0.00 176.54 177.94 1x3q n LEU 55 N -4.08 0.86 -3.13 3.11 4.32 0.44 -3.95 117.00 114.58 1x3q n LEU 55 Ca -0.22 0.29 -0.33 0.00 -0.02 0.00 0.00 56.01 55.73 1x3q n LEU 55 Cb 0.82 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.58 1x3q n LEU 55 CO 0.39 0.00 3.03 -0.62 -1.22 0.00 0.00 177.39 178.97 1x3q n GLU 56 N -0.44 3.25 0.00 3.23 1.02 -0.41 -4.30 120.64 122.98 1x3q n GLU 56 Ca 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 1x3q n GLU 56 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 1x3q n GLU 56 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97