#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 -3.47 -3.64 1.61 2.88 -1.26 -5.01 113.62 104.73 1x3q n SER 2 Ca 0.00 -0.56 -0.02 0.00 -1.33 0.00 0.00 58.87 56.95 1x3q n SER 2 Cb 0.00 -4.89 -0.05 0.00 -0.75 0.00 0.00 64.21 58.53 1x3q n SER 2 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1x3q s GLN 3 N -5.63 0.59 -0.01 -1.46 -0.21 -1.26 -4.96 119.66 106.73 1x3q s GLN 3 Ca 0.19 1.39 -0.00 0.00 0.02 0.00 0.00 55.36 56.96 1x3q s GLN 3 Cb -0.09 0.73 -0.00 0.00 1.00 0.00 0.00 33.01 34.65 1x3q s GLN 3 CO 0.70 -0.19 0.10 0.28 -2.12 0.00 0.00 175.29 174.06 1x3q h VAL 4 N 5.79 0.00 -0.07 1.09 2.07 -1.95 -3.47 116.25 119.71 1x3q h VAL 4 Ca -0.20 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1x3q h VAL 4 Cb 1.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1x3q h VAL 4 CO 0.11 0.00 0.00 0.33 0.02 0.00 0.00 177.57 178.03 1x3q n PHE 5 N -2.19 -0.05 -0.03 1.57 7.35 -1.26 -4.94 117.46 117.91 1x3q n PHE 5 Ca -0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1x3q n PHE 5 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 1x3q n PHE 5 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1x3q h GLU 6 N 0.00 0.04 -4.47 -4.13 3.07 -2.05 -3.48 114.58 103.57 1x3q h GLU 6 Ca 0.00 -0.03 -0.26 0.00 -0.50 0.00 0.00 59.36 58.57 1x3q h GLU 6 Cb 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 28.75 28.02 1x3q h GLU 6 CO 0.00 0.62 -0.50 0.98 -1.40 0.00 0.00 179.01 178.70 1x3q n TYR 7 N -4.77 -1.83 -2.60 4.33 4.19 -1.26 -4.96 117.16 110.26 1x3q n TYR 7 Ca -0.09 0.69 -0.27 0.00 3.31 0.00 0.00 57.90 61.55 1x3q n TYR 7 Cb 0.31 -3.98 -0.01 0.00 0.49 0.00 0.00 39.34 36.15 1x3q n TYR 7 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1x3q n ALA 8 N -3.83 4.97 -0.15 2.98 0.00 -1.26 -4.86 120.51 118.36 1x3q n ALA 8 Ca -0.08 -4.43 -0.03 0.00 0.00 0.00 0.00 53.44 48.90 1x3q n ALA 8 Cb 0.57 -0.60 0.05 0.00 0.00 0.00 0.00 19.45 19.48 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 2.69 0.12 -5.32 0.00 4.39 -1.90 -3.45 114.58 111.11 1x3q h GLU 9 Ca 0.26 -0.01 -0.31 0.00 0.34 0.00 0.00 59.36 59.64 1x3q h GLU 9 Cb 0.80 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.34 1x3q h GLU 9 CO 0.84 0.08 -0.45 1.55 -1.16 0.00 0.00 179.01 179.87 1x3q n VAL 10 N -5.22 -0.62 0.00 3.13 3.14 -1.26 -3.40 118.33 114.10 1x3q n VAL 10 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1x3q n VAL 10 Cb 0.26 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 31.74 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 -2.08 0.00 -3.64 6.55 8.00 -1.26 -4.07 116.55 120.05 1x3q n ASP 11 Ca -0.02 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.21 1x3q n ASP 11 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.53 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 2.01 -0.35 -1.24 2.13 -1.22 -4.86 120.64 117.12 1x3q n GLU 12 Ca 0.00 -4.45 0.00 0.00 0.66 0.00 0.00 57.16 53.37 1x3q n GLU 12 Cb 0.00 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.51 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 1.49 0.00 -0.05 6.31 -0.00 -1.26 -4.66 119.36 121.18 1x3q n ILE 13 Ca 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.99 1x3q n ILE 13 Cb 0.39 -0.18 -0.15 0.00 -0.00 0.00 0.00 39.64 39.70 1x3q n ILE 13 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 1x3q n VAL 14 N 1.05 0.71 -3.85 7.28 3.14 -1.26 -4.84 118.33 120.56 1x3q n VAL 14 Ca 0.00 -0.63 -0.12 0.00 -2.96 0.00 0.00 64.34 60.63 1x3q n VAL 14 Cb 0.00 -0.28 -0.14 0.00 -1.06 0.00 0.00 33.84 32.37 1x3q n VAL 14 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1x3q s GLU 15 N -2.82 0.06 -0.22 1.45 2.12 -1.26 -4.89 118.70 113.14 1x3q s GLU 15 Ca -0.08 0.09 -0.27 0.00 0.36 0.00 0.00 54.97 55.07 1x3q s GLU 15 Cb 0.08 0.01 0.11 0.00 0.26 0.00 0.00 34.13 34.60 1x3q s GLU 15 CO 0.76 -0.02 0.96 -1.59 -0.54 0.00 0.00 175.26 174.84 1x3q s LYS 16 N 0.11 0.61 0.00 4.30 0.00 -1.26 -3.08 119.74 120.42 1x3q s LYS 16 Ca -0.01 0.46 0.00 0.00 0.00 0.00 0.00 55.97 56.43 1x3q s LYS 16 Cb -0.01 0.29 0.00 0.00 0.00 0.00 0.00 37.83 38.11 1x3q s LYS 16 CO -0.00 -0.13 0.00 2.89 0.00 0.00 0.00 175.35 178.11 1x3q n ARG 17 N 1.68 0.00 0.00 1.78 1.85 -1.26 -4.62 116.66 116.09 1x3q n ARG 17 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1x3q n ARG 17 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 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 0.81 0.00 2.89 0.00 -1.26 -4.84 105.19 102.79 1x3q n GLY 18 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 3.58 0.11 1.61 5.02 0.34 -4.93 118.16 123.88 1x3q n LYS 19 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1x3q n LYS 19 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1x3q n LYS 19 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1x3q h GLY 20 N 0.00 0.00 -3.11 0.72 0.00 -2.05 -3.37 103.07 95.27 1x3q h GLY 20 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1x3q h GLY 20 CO 0.00 0.00 -1.03 0.28 0.00 0.00 0.00 176.54 175.79 1x3q n LYS 21 N -3.46 0.15 -3.15 4.80 5.02 -1.26 -5.00 118.16 115.26 1x3q n LYS 21 Ca 0.00 -2.13 0.04 0.00 -2.02 0.00 0.00 58.31 54.21 1x3q n LYS 21 Cb 0.76 -0.14 -0.00 0.00 -0.02 0.00 0.00 35.03 35.63 1x3q n LYS 21 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x3q s ASP 22 N -2.14 -1.32 0.25 4.39 1.11 -1.26 -5.16 116.67 112.54 1x3q s ASP 22 Ca 0.34 0.41 -0.03 0.00 0.18 0.00 0.00 52.55 53.45 1x3q s ASP 22 Cb 0.39 1.94 -0.02 0.00 1.07 0.00 0.00 42.92 46.29 1x3q s ASP 22 CO -0.16 -0.24 0.28 -0.69 1.18 0.00 0.00 175.17 175.54 1x3q s VAL 23 N 2.87 0.00 -0.20 -1.27 1.01 -1.26 0.13 120.40 121.66 1x3q s VAL 23 Ca 0.15 -1.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.03 1x3q s VAL 23 Cb -0.11 -2.44 0.14 0.00 0.00 0.00 0.00 36.38 33.97 1x3q s VAL 23 CO -0.23 0.00 1.10 -1.83 0.00 0.00 0.00 175.10 174.15 1x3q s GLU 24 N -3.90 0.44 -0.28 2.72 -1.05 -1.26 -0.62 118.70 114.75 1x3q s GLU 24 Ca 0.34 0.15 0.01 0.00 -0.15 0.00 0.00 54.97 55.32 1x3q s GLU 24 Cb 0.04 0.21 0.08 0.00 -0.44 0.00 0.00 34.13 34.01 1x3q s GLU 24 CO 0.14 -0.13 0.01 0.71 0.95 0.00 0.00 175.26 176.95 1x3q s TYR 25 N -0.94 2.59 0.00 4.83 1.51 -1.26 -4.02 117.35 120.06 1x3q s TYR 25 Ca 0.01 -2.09 0.00 0.00 -1.01 0.00 0.00 57.07 53.98 1x3q s TYR 25 Cb -0.01 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1x3q s TYR 25 CO -0.02 -0.85 0.00 1.28 -1.11 0.00 0.00 175.55 174.85 1x3q n LEU 26 N 4.60 0.00 -1.08 -1.29 4.77 -1.18 -4.73 117.00 118.09 1x3q n LEU 26 Ca -0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1x3q n LEU 26 Cb 0.43 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1x3q n LEU 26 CO 0.17 0.00 0.14 0.52 -1.33 0.00 0.00 177.39 176.90 1x3q n VAL 27 N 0.00 0.00 0.00 4.08 0.31 -1.26 -1.89 118.33 119.57 1x3q n VAL 27 Ca 0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1x3q n VAL 27 Cb 0.00 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.71 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 0.29 0.00 0.00 5.55 -4.01 -1.26 -4.41 116.66 112.81 1x3q n ARG 28 Ca 0.03 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.84 1x3q n ARG 28 Cb 0.95 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.37 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 0.00 0.00 -0.08 2.89 -0.00 -1.26 -1.70 117.44 117.29 1x3q n TRP 29 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.34 1x3q n TRP 29 Cb 0.00 -0.24 -0.05 0.00 -0.00 0.00 0.00 31.31 31.02 1x3q n TRP 29 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1x3q n LYS 30 N -1.88 0.36 -1.21 -2.67 3.00 -1.26 -4.77 118.16 109.72 1x3q n LYS 30 Ca 0.00 0.16 -0.42 0.00 -0.00 0.00 0.00 58.31 58.05 1x3q n LYS 30 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 35.03 33.89 1x3q n LYS 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1x3q n ASP 31 N -3.84 -1.08 0.02 3.14 -0.08 -0.69 -4.77 116.55 109.26 1x3q n ASP 31 Ca -0.29 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 1x3q n ASP 31 Cb 0.66 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.30 1x3q n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x3q n GLY 32 N 1.73 -0.59 0.13 0.27 0.00 -1.26 -4.75 105.19 100.72 1x3q n GLY 32 Ca 0.16 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.24 -0.48 3.23 -0.02 0.00 -1.26 -5.01 105.19 100.41 1x3q n GLY 33 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1x3q n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x3q s ASP 34 N -6.84 1.50 0.40 1.61 2.15 -1.26 -5.15 116.67 109.08 1x3q s ASP 34 Ca -0.30 -1.06 -0.25 0.00 0.43 0.00 0.00 52.55 51.38 1x3q s ASP 34 Cb 0.08 0.05 -0.09 0.00 -0.30 0.00 0.00 42.92 42.66 1x3q s ASP 34 CO 0.66 -0.43 1.10 0.00 -0.17 0.00 0.00 175.17 176.32 1x3q n GLU 36 N 0.00 0.47 -0.38 0.00 -0.58 -1.26 -5.03 120.64 113.86 1x3q n GLU 36 Ca 0.05 -2.30 -0.15 0.00 -0.42 0.00 0.00 57.16 54.35 1x3q n GLU 36 Cb 0.48 -0.36 0.14 0.00 -0.57 0.00 0.00 31.44 31.13 1x3q n GLU 36 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1x3q n TRP 37 N 0.14 -2.46 0.00 -0.32 8.01 -0.79 -4.85 117.44 117.17 1x3q n TRP 37 Ca 0.04 -0.14 0.00 0.00 -1.31 0.00 0.00 57.50 56.08 1x3q n TRP 37 Cb 1.03 -1.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.22 1x3q n TRP 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1x3q n VAL 38 N -4.29 0.00 -3.63 -0.99 0.31 -1.26 -4.99 118.33 103.48 1x3q n VAL 38 Ca 0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.25 1x3q n VAL 38 Cb 0.29 -0.15 -0.07 0.00 -0.91 0.00 0.00 33.84 32.99 1x3q n VAL 38 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1x3q s LYS 39 N -0.31 0.83 -0.03 5.55 2.47 -1.26 -4.93 119.74 122.06 1x3q s LYS 39 Ca 0.00 0.69 -0.02 0.00 -1.56 0.00 0.00 55.97 55.08 1x3q s LYS 39 Cb 0.00 0.40 -0.27 0.00 -1.46 0.00 0.00 37.83 36.50 1x3q s LYS 39 CO 0.00 -0.15 0.72 0.78 0.16 0.00 0.00 175.35 176.85 1x3q h GLY 40 N 4.52 0.25 0.93 5.54 0.00 -1.16 -2.97 103.07 110.17 1x3q h GLY 40 Ca -0.28 -0.63 0.09 0.00 0.00 0.00 0.00 47.33 46.51 1x3q h GLY 40 CO 0.18 0.56 0.47 -0.24 0.00 0.00 0.00 176.54 177.51 1x3q h VAL 41 N 0.06 0.93 0.00 4.60 3.04 -1.94 1.44 116.25 124.39 1x3q h VAL 41 Ca -0.29 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1x3q h VAL 41 Cb 2.02 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1x3q h VAL 41 CO 0.13 0.11 -1.42 0.00 -1.01 0.00 0.00 177.57 175.39 1x3q n HIS 42 N -4.49 0.03 -1.41 3.17 1.44 -1.26 -4.24 115.22 108.46 1x3q n HIS 42 Ca 0.12 0.01 -0.25 0.00 -2.01 0.00 0.00 57.72 55.59 1x3q n HIS 42 Cb 0.34 -0.26 0.12 0.00 0.12 0.00 0.00 29.99 30.31 1x3q n HIS 42 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1x3q n VAL 43 N -1.87 3.18 -3.36 0.61 0.31 -0.84 -4.93 118.33 111.43 1x3q n VAL 43 Ca 0.00 -2.77 -0.11 0.00 -0.01 0.00 0.00 64.34 61.45 1x3q n VAL 43 Cb 0.44 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 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 -1.00 -2.64 0.14 3.52 0.00 -0.87 -4.68 120.51 114.98 1x3q n ALA 44 Ca 0.54 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 1x3q n ALA 44 Cb 1.07 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 0.28 -0.74 0.00 0.00 4.81 0.17 -1.60 114.58 117.49 1x3q h GLU 45 Ca -0.27 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1x3q h GLU 45 Cb 1.17 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1x3q h GLU 45 CO 0.32 -0.50 0.00 -0.40 -0.73 0.00 0.00 179.01 177.70 1x3q n ASP 46 N -5.50 0.00 -0.11 1.04 5.68 -1.26 -2.72 116.55 113.69 1x3q n ASP 46 Ca -0.09 -0.76 -0.24 0.00 -0.50 0.00 0.00 54.79 53.20 1x3q n ASP 46 Cb 0.42 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.28 1x3q n ASP 46 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1x3q n VAL 47 N -0.91 1.56 0.17 2.12 0.31 -0.65 -4.45 118.33 116.48 1x3q n VAL 47 Ca 0.13 -0.34 0.05 0.00 -0.01 0.00 0.00 64.34 64.17 1x3q n VAL 47 Cb 0.06 -1.84 0.12 0.00 -0.91 0.00 0.00 33.84 31.27 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 -0.52 0.79 -0.48 3.52 0.00 -1.45 -3.33 119.26 117.78 1x3q h ALA 48 Ca -0.53 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.13 1x3q h ALA 48 Cb 1.62 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 1x3q h ALA 48 CO -0.23 0.46 -0.03 1.57 0.00 0.00 0.00 179.25 181.03 1x3q h LYS 49 N 0.00 0.08 -0.14 0.00 2.10 -1.73 0.13 116.57 117.02 1x3q h LYS 49 Ca -0.00 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.68 1x3q h LYS 49 Cb 1.22 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1x3q h LYS 49 CO 0.05 0.06 0.11 0.22 -2.00 0.00 0.00 179.45 177.88 1x3q h ASP 50 N 0.09 0.00 0.52 7.07 3.58 -1.80 -1.19 116.42 124.69 1x3q h ASP 50 Ca 0.24 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 1x3q h ASP 50 Cb 0.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1x3q h ASP 50 CO -0.43 0.00 -0.38 0.22 -2.88 0.00 0.00 179.24 175.77 1x3q h TYR 51 N 0.00 -1.02 0.00 0.28 5.03 -0.90 -0.99 116.97 119.37 1x3q h TYR 51 Ca 0.07 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1x3q h TYR 51 Cb 0.28 0.38 0.00 0.00 1.55 0.00 0.00 36.73 38.94 1x3q h TYR 51 CO 0.00 -0.56 0.00 -1.91 -1.32 0.00 0.00 178.16 174.37 1x3q n GLU 52 N -5.50 0.00 -0.25 1.82 2.13 -1.05 -1.95 120.64 115.84 1x3q n GLU 52 Ca -0.12 0.41 0.23 0.00 0.66 0.00 0.00 57.16 58.34 1x3q n GLU 52 Cb 0.40 -0.94 0.40 0.00 0.27 0.00 0.00 31.44 31.57 1x3q n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1x3q n ASP 53 N -1.72 0.18 -0.05 4.31 2.03 -0.48 0.15 116.55 120.99 1x3q n ASP 53 Ca 0.00 0.98 -0.12 0.00 0.52 0.00 0.00 54.79 56.17 1x3q n ASP 53 Cb 0.00 -0.48 -0.10 0.00 -0.72 0.00 0.00 41.12 39.82 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 -0.02 0.00 0.27 0.00 -1.30 -3.24 103.07 98.78 1x3q h GLY 54 Ca 0.55 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1x3q h GLY 54 CO -0.40 -0.01 0.00 1.04 0.00 0.00 0.00 176.54 177.17 1x3q n LEU 55 N -4.69 0.71 -2.96 3.11 4.77 0.40 -3.98 117.00 114.36 1x3q n LEU 55 Ca -0.08 0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 56.13 1x3q n LEU 55 Cb 0.36 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1x3q n LEU 55 CO 0.28 -0.30 2.65 1.21 -1.33 0.00 0.00 177.39 179.90 1x3q n GLU 56 N -1.39 2.78 0.00 3.23 4.07 0.27 -4.70 120.64 124.90 1x3q n GLU 56 Ca 0.00 -1.66 0.03 0.00 -0.06 0.00 0.00 57.16 55.46 1x3q n GLU 56 Cb 0.00 -2.49 0.16 0.00 -0.06 0.00 0.00 31.44 29.06 1x3q n GLU 56 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05