#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3q h SER 2 N 0.00 -0.12 0.00 1.61 0.87 -1.86 -3.49 113.55 110.56 1x3q h SER 2 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x3q h SER 2 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1x3q h SER 2 CO 0.00 0.02 0.00 1.67 -0.53 0.00 0.00 176.83 177.99 1x3q n GLN 3 N -3.00 0.00 0.00 2.24 0.00 -1.26 -5.04 117.38 110.32 1x3q n GLN 3 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1x3q n GLN 3 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.30 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 -0.02 0.00 0.00 1.69 0.31 -1.26 -4.97 118.33 114.08 1x3q n VAL 4 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1x3q n VAL 4 Cb 0.00 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 -1.64 0.00 -0.10 3.52 7.35 -1.26 -4.97 117.46 120.36 1x3q n PHE 5 Ca 0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 1x3q n PHE 5 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 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 0.54 -3.95 -4.13 -0.58 -1.26 -5.00 120.64 106.26 1x3q n GLU 6 Ca 0.00 0.43 -0.29 0.00 -0.42 0.00 0.00 57.16 56.88 1x3q n GLU 6 Cb 0.00 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 29.26 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 -4.43 -1.99 -2.13 -0.32 4.01 -1.26 -4.87 117.16 106.16 1x3q n TYR 7 Ca -0.29 0.84 -0.15 0.00 -0.16 0.00 0.00 57.90 58.14 1x3q n TYR 7 Cb 0.61 -3.79 0.05 0.00 -0.31 0.00 0.00 39.34 35.90 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 -4.49 4.32 -0.29 -0.72 0.00 -1.26 -4.83 120.51 113.23 1x3q n ALA 8 Ca -0.08 -3.50 -0.05 0.00 0.00 0.00 0.00 53.44 49.82 1x3q n ALA 8 Cb 0.58 -0.44 0.07 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 2.07 1.10 -6.48 0.00 9.09 -1.89 -3.46 114.58 115.01 1x3q h GLU 9 Ca 0.21 -0.11 -0.50 0.00 0.05 0.00 0.00 59.36 59.02 1x3q h GLU 9 Cb 1.44 -0.23 -0.08 0.00 -1.65 0.00 0.00 28.75 28.23 1x3q h GLU 9 CO 0.54 0.78 -0.84 0.28 0.05 0.00 0.00 179.01 179.82 1x3q n VAL 10 N -4.45 -2.49 0.00 -1.06 0.31 -1.25 -4.29 118.33 105.09 1x3q n VAL 10 Ca 0.08 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1x3q n VAL 10 Cb 0.06 -2.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.42 1x3q n VAL 10 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1x3q n ASP 11 N -2.88 0.00 -3.12 4.52 8.00 -1.26 -4.40 116.55 117.41 1x3q n ASP 11 Ca -0.14 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.12 1x3q n ASP 11 Cb 0.60 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 1x3q n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x3q n GLU 12 N 0.00 2.16 -1.23 -1.24 -0.58 -1.26 -4.90 120.64 113.60 1x3q n GLU 12 Ca 0.00 -4.21 0.00 0.00 -0.42 0.00 0.00 57.16 52.53 1x3q n GLU 12 Cb 0.00 -1.97 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 1x3q n GLU 12 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1x3q n ILE 13 N 0.28 0.00 1.02 -3.67 -0.00 -1.26 -4.86 119.36 110.88 1x3q n ILE 13 Ca 0.28 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 63.14 1x3q n ILE 13 Cb 0.49 -0.55 0.04 0.00 -0.00 0.00 0.00 39.64 39.62 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 1.40 0.00 -3.09 1.39 0.31 -1.25 -4.70 118.33 112.39 1x3q n VAL 14 Ca 0.00 -0.05 -0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1x3q n VAL 14 Cb 0.00 0.80 0.00 0.00 -0.91 0.00 0.00 33.84 33.73 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 -1.18 0.02 -3.10 5.55 1.02 -1.26 -4.83 120.64 116.85 1x3q n GLU 15 Ca 0.06 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1x3q n GLU 15 Cb 0.36 0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 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 -0.01 -0.30 -1.22 3.49 -0.00 -1.26 -3.67 118.16 115.19 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 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.04 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 0.00 0.00 -1.58 3.00 -1.25 -4.96 116.66 111.87 1x3q n ARG 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1x3q n ARG 17 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.05 1x3q n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x3q n GLY 18 N -0.82 -2.76 0.00 5.14 0.00 -1.26 -4.95 105.19 100.54 1x3q n GLY 18 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 1.64 0.27 1.61 4.76 -1.19 -4.78 118.16 120.48 1x3q n LYS 19 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1x3q n LYS 19 Cb 0.00 0.00 0.76 0.00 -1.84 0.00 0.00 35.03 33.95 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 0.00 0.00 0.00 0.72 0.00 -2.03 -3.39 103.07 98.37 1x3q h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x3q h GLY 20 CO 0.00 0.00 -0.17 1.17 0.00 0.00 0.00 176.54 177.54 1x3q n LYS 21 N -3.60 0.00 -0.87 4.80 4.81 -1.26 -4.91 118.16 117.12 1x3q n LYS 21 Ca -0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.14 1x3q n LYS 21 Cb 0.22 -0.38 -0.03 0.00 0.02 0.00 0.00 35.03 34.86 1x3q n LYS 21 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1x3q n ASP 22 N -2.04 4.44 -4.85 3.14 5.75 -1.26 -4.87 116.55 116.86 1x3q n ASP 22 Ca 0.00 -2.42 -0.32 0.00 -0.01 0.00 0.00 54.79 52.04 1x3q n ASP 22 Cb 0.08 -1.13 -0.05 0.00 -1.03 0.00 0.00 41.12 39.00 1x3q n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1x3q s VAL 23 N 3.75 4.61 0.01 2.12 1.01 -1.26 -3.16 120.40 127.48 1x3q s VAL 23 Ca 0.45 1.04 -0.28 0.00 0.00 0.00 0.00 61.98 63.18 1x3q s VAL 23 Cb 0.11 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.90 1x3q s VAL 23 CO -0.00 -0.43 0.68 -1.83 0.00 0.00 0.00 175.10 173.51 1x3q s GLU 24 N -3.54 1.10 -0.28 2.72 -1.05 -1.26 -1.34 118.70 115.05 1x3q s GLU 24 Ca 0.56 0.01 -0.00 0.00 -0.15 0.00 0.00 54.97 55.39 1x3q s GLU 24 Cb -0.10 0.51 0.09 0.00 -0.44 0.00 0.00 34.13 34.19 1x3q s GLU 24 CO 0.24 -0.39 0.05 0.71 0.95 0.00 0.00 175.26 176.82 1x3q s TYR 25 N -2.03 1.91 0.00 4.83 1.51 -1.09 -3.86 117.35 118.62 1x3q s TYR 25 Ca -0.06 -1.71 0.00 0.00 -1.01 0.00 0.00 57.07 54.29 1x3q s TYR 25 Cb -0.00 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1x3q s TYR 25 CO 0.02 -0.82 0.00 1.28 -1.11 0.00 0.00 175.55 174.92 1x3q n LEU 26 N 4.79 0.00 -2.03 -1.29 4.77 -1.24 -4.71 117.00 117.29 1x3q n LEU 26 Ca -0.04 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.91 1x3q n LEU 26 Cb 0.43 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1x3q n LEU 26 CO 0.14 0.00 0.09 0.52 -1.33 0.00 0.00 177.39 176.81 1x3q n VAL 27 N 0.00 1.31 0.00 4.08 0.31 -1.26 -1.66 118.33 121.11 1x3q n VAL 27 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 64.34 61.61 1x3q n VAL 27 Cb 0.00 0.54 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 -0.40 0.00 0.00 5.55 -4.01 -1.26 -3.76 116.66 112.78 1x3q n ARG 28 Ca 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.97 1x3q n ARG 28 Cb 0.91 -0.57 0.00 0.00 -3.04 0.00 0.00 32.46 29.76 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 0.00 2.89 -0.00 -1.26 -3.86 117.44 112.70 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 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.64 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 4.76 -1.26 -4.74 118.16 114.25 1x3q n LYS 30 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1x3q n LYS 30 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1x3q n LYS 30 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1x3q n ASP 31 N 0.00 0.00 0.00 4.39 5.68 -1.26 -4.77 116.55 120.59 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 1.81 0.12 6.12 0.00 -1.26 -4.33 105.19 107.65 1x3q n GLY 32 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 0.23 0.00 -0.02 0.00 -2.02 -3.49 103.07 97.77 1x3q h GLY 33 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1x3q h GLY 33 CO 0.00 0.51 0.00 1.22 0.00 0.00 0.00 176.54 178.27 1x3q n ASP 34 N -4.01 0.39 -4.16 0.19 8.00 -1.26 -5.17 116.55 110.54 1x3q n ASP 34 Ca -0.25 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.00 1x3q n ASP 34 Cb 0.86 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.80 1x3q n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x3q n GLU 36 N 2.71 0.04 -1.79 0.00 -0.58 -1.26 -4.99 120.64 114.77 1x3q n GLU 36 Ca -0.15 -0.49 -0.42 0.00 -0.42 0.00 0.00 57.16 55.68 1x3q n GLU 36 Cb 0.54 -0.51 -0.02 0.00 -0.57 0.00 0.00 31.44 30.88 1x3q n GLU 36 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 1x3q s TRP 37 N -0.01 2.81 0.00 -0.32 -2.14 -0.66 -4.97 118.94 113.64 1x3q s TRP 37 Ca 0.00 0.72 -0.04 0.00 2.66 0.00 0.00 56.10 59.44 1x3q s TRP 37 Cb 0.00 -4.06 -0.00 0.00 -3.10 0.00 0.00 33.47 26.31 1x3q s TRP 37 CO 0.00 -3.64 0.08 0.14 -2.66 0.00 0.00 176.95 170.87 1x3q s VAL 38 N 0.24 0.08 0.19 -0.66 -7.23 -1.26 -4.91 120.40 106.85 1x3q s VAL 38 Ca 0.65 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 1x3q s VAL 38 Cb -0.47 -0.34 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1x3q s VAL 38 CO 0.44 -0.37 0.00 2.29 -0.31 0.00 0.00 175.10 177.15 1x3q n LYS 39 N 1.70 -2.34 0.03 4.82 2.85 -1.26 -4.27 118.16 119.68 1x3q n LYS 39 Ca -0.22 1.70 -0.01 0.00 -1.05 0.00 0.00 58.31 58.73 1x3q n LYS 39 Cb 0.56 -2.16 -0.00 0.00 -0.65 0.00 0.00 35.03 32.77 1x3q n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1x3q n GLY 40 N 0.19 -0.11 0.36 2.58 0.00 -0.45 -2.68 105.19 105.08 1x3q n GLY 40 Ca 0.00 -0.05 0.22 0.00 0.00 0.00 0.00 46.02 46.19 1x3q n GLY 40 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x3q h VAL 41 N -0.14 0.42 0.07 1.61 2.07 -1.89 1.69 116.25 120.08 1x3q h VAL 41 Ca 0.00 -0.15 -0.29 0.00 0.82 0.00 0.00 66.70 67.09 1x3q h VAL 41 Cb 0.14 -0.05 0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1x3q h VAL 41 CO 0.00 0.08 -1.17 0.45 0.02 0.00 0.00 177.57 176.95 1x3q h HIS 42 N 0.43 1.01 -0.73 1.57 -0.00 -1.94 -3.26 115.15 112.23 1x3q h HIS 42 Ca 0.68 -0.60 -0.44 0.00 -0.00 0.00 0.00 60.37 60.01 1x3q h HIS 42 Cb 1.52 -0.09 -0.18 0.00 -0.00 0.00 0.00 27.41 28.65 1x3q h HIS 42 CO -0.01 1.44 0.54 0.28 -0.00 0.00 0.00 177.93 180.19 1x3q n VAL 43 N -3.81 3.08 -3.34 2.45 0.31 0.42 -4.84 118.33 112.59 1x3q n VAL 43 Ca -0.12 -2.22 -0.13 0.00 -0.01 0.00 0.00 64.34 61.86 1x3q n VAL 43 Cb 0.95 -1.33 0.02 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 0.11 -2.56 0.04 3.52 0.00 0.18 -4.55 120.51 117.24 1x3q n ALA 44 Ca 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.76 1x3q n ALA 44 Cb 0.58 -2.79 -0.01 0.00 0.00 0.00 0.00 19.45 17.23 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 -0.45 -0.13 0.00 0.00 4.81 0.17 -2.06 114.58 116.92 1x3q h GLU 45 Ca -0.36 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1x3q h GLU 45 Cb 1.20 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1x3q h GLU 45 CO 0.38 -0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.17 1x3q n ASP 46 N -2.68 0.00 -0.02 1.04 5.68 -1.26 -2.11 116.55 117.19 1x3q n ASP 46 Ca -0.02 -0.05 -0.21 0.00 -0.50 0.00 0.00 54.79 54.01 1x3q n ASP 46 Cb 0.06 -0.22 -0.13 0.00 -1.14 0.00 0.00 41.12 39.69 1x3q n ASP 46 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1x3q h VAL 47 N 0.00 0.91 0.00 2.12 2.07 -1.83 -3.38 116.25 116.14 1x3q h VAL 47 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1x3q h VAL 47 Cb 0.10 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1x3q h VAL 47 CO 0.00 0.66 -0.68 0.00 0.02 0.00 0.00 177.57 177.56 1x3q h ALA 48 N -0.12 0.64 -0.38 1.67 0.00 -1.30 -3.36 119.26 116.40 1x3q h ALA 48 Ca -0.34 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1x3q h ALA 48 Cb 1.71 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 1x3q h ALA 48 CO 0.00 0.00 0.02 1.57 0.00 0.00 0.00 179.25 180.84 1x3q h LYS 49 N 0.00 0.13 -0.21 0.00 2.10 -1.60 0.17 116.57 117.16 1x3q h LYS 49 Ca 0.00 -0.01 0.06 0.00 -2.00 0.00 0.00 60.65 58.70 1x3q h LYS 49 Cb 0.95 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1x3q h LYS 49 CO 0.00 0.08 0.15 -0.44 -2.00 0.00 0.00 179.45 177.24 1x3q h ASP 50 N 0.13 0.00 0.12 7.07 5.19 -1.75 1.25 116.42 128.42 1x3q h ASP 50 Ca 0.19 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1x3q h ASP 50 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1x3q h ASP 50 CO -0.30 0.00 -0.06 0.22 -3.12 0.00 0.00 179.24 175.99 1x3q h TYR 51 N 0.00 -0.15 0.00 4.55 5.03 -0.89 -2.58 116.97 122.93 1x3q h TYR 51 Ca 0.10 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1x3q h TYR 51 Cb 0.40 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1x3q h TYR 51 CO 0.00 0.24 -0.08 1.49 -1.32 0.00 0.00 178.16 178.49 1x3q h GLU 52 N -0.58 0.00 -0.97 1.82 4.22 -0.59 -2.73 114.58 115.76 1x3q h GLU 52 Ca -0.02 0.00 0.31 0.00 0.08 0.00 0.00 59.36 59.74 1x3q h GLU 52 Cb 0.45 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.54 1x3q h GLU 52 CO 0.03 0.00 0.35 0.38 -2.18 0.00 0.00 179.01 177.58 1x3q h ASP 53 N -0.65 0.09 0.12 1.04 3.04 0.14 0.46 116.42 120.65 1x3q h ASP 53 Ca 0.00 0.23 -0.01 0.00 -3.24 0.00 0.00 57.03 54.02 1x3q h ASP 53 Cb 0.08 0.29 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 1x3q h ASP 53 CO 0.00 -0.28 -0.06 1.23 -2.04 0.00 0.00 179.24 178.10 1x3q h GLY 54 N 0.13 -0.17 0.00 7.15 0.00 -1.46 -3.30 103.07 105.43 1x3q h GLY 54 Ca 0.69 0.06 0.00 0.00 0.00 0.00 0.00 47.33 48.08 1x3q h GLY 54 CO -0.74 -0.06 0.00 1.04 0.00 0.00 0.00 176.54 176.78 1x3q n LEU 55 N -4.86 1.23 -2.76 3.11 4.32 -0.89 -3.97 117.00 113.17 1x3q n LEU 55 Ca -0.04 0.33 -0.22 0.00 -0.02 0.00 0.00 56.01 56.06 1x3q n LEU 55 Cb 0.16 -0.07 -0.07 0.00 -1.62 0.00 0.00 43.42 41.81 1x3q n LEU 55 CO 0.13 -0.07 2.25 1.21 -1.22 0.00 0.00 177.39 179.69 1x3q n GLU 56 N -0.72 2.34 0.00 3.23 2.13 0.10 -4.66 120.64 123.06 1x3q n GLU 56 Ca 0.00 -1.39 0.03 0.00 0.66 0.00 0.00 57.16 56.46 1x3q n GLU 56 Cb 0.00 -2.32 0.16 0.00 0.27 0.00 0.00 31.44 29.55 1x3q n GLU 56 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20