#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci7 n PRO 2 N 0.00 1.42 0.23 2.89 -0.02 -1.26 -4.87 135.00 133.39 3ci7 n PRO 2 Ca 0.00 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3ci7 n PRO 2 Cb 0.00 -2.10 0.72 0.00 -0.02 0.00 0.00 33.50 32.10 3ci7 n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ci7 h ALA 3 N 1.59 1.94 0.00 3.55 0.00 -2.03 -1.49 119.26 122.82 3ci7 h ALA 3 Ca -0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3ci7 h ALA 3 Cb 1.33 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3ci7 h ALA 3 CO 0.57 -0.10 -0.05 0.27 0.00 0.00 0.00 179.25 179.94 3ci7 h PHE 4 N 0.00 0.00 0.00 0.00 -5.15 -1.99 -1.02 116.94 108.78 3ci7 h PHE 4 Ca 0.04 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.81 3ci7 h PHE 4 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.33 3ci7 h PHE 4 CO 0.00 0.05 0.00 0.00 -2.00 0.00 0.00 178.31 176.36 3ci7 n LEU 6 N -2.34 1.24 -4.77 0.00 4.77 -0.39 -4.32 117.00 111.19 3ci7 n LEU 6 Ca -0.01 -0.36 -0.38 0.00 -0.03 0.00 0.00 56.01 55.23 3ci7 n LEU 6 Cb 0.08 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3ci7 n LEU 6 CO 0.13 0.23 0.87 -1.61 -1.33 0.00 0.00 177.39 175.67 3ci7 s GLU 7 N -2.47 3.79 0.70 3.23 2.02 -0.62 -4.98 118.70 120.38 3ci7 s GLU 7 Ca 0.24 1.90 -0.12 0.00 0.02 0.00 0.00 54.97 57.01 3ci7 s GLU 7 Cb 0.19 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.93 3ci7 s GLU 7 CO 0.52 -0.56 1.08 -1.25 0.02 0.00 0.00 175.26 175.07 3ci7 s PRO 8 N -2.55 2.73 0.51 0.39 0.04 -1.26 -4.89 135.00 129.97 3ci7 s PRO 8 Ca 0.62 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 3ci7 s PRO 8 Cb -0.32 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 3ci7 s PRO 8 CO 0.39 -1.27 1.30 -1.25 0.04 0.00 0.00 177.00 176.21 3ci7 s PRO 9 N -4.75 3.37 -0.31 0.56 0.04 -1.26 -4.95 135.00 127.70 3ci7 s PRO 9 Ca 0.61 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.78 3ci7 s PRO 9 Cb -0.16 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 32.12 3ci7 s PRO 9 CO 0.51 -0.96 -0.02 -0.47 0.04 0.00 0.00 177.00 176.10 3ci7 s TYR 10 N -1.37 3.50 0.24 0.56 5.04 -1.26 -4.97 117.35 119.09 3ci7 s TYR 10 Ca 0.68 -2.59 -0.00 0.00 -2.44 0.00 0.00 57.07 52.72 3ci7 s TYR 10 Cb -0.37 -2.44 0.26 0.00 0.35 0.00 0.00 41.96 39.76 3ci7 s TYR 10 CO 0.44 -0.91 1.62 0.00 -1.34 0.00 0.00 175.55 175.37 3ci7 h ALA 11 N 7.73 0.91 -0.43 3.97 0.00 -1.95 -3.43 119.26 126.06 3ci7 h ALA 11 Ca -0.12 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.42 3ci7 h ALA 11 Cb 1.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3ci7 h ALA 11 CO 0.50 0.63 -0.09 0.41 0.00 0.00 0.00 179.25 180.70 3ci7 n GLY 12 N -0.11 -1.60 0.03 0.00 0.00 -1.26 -1.12 105.19 101.13 3ci7 n GLY 12 Ca -0.01 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.67 3ci7 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ci7 n PRO 13 N -1.90 0.24 -1.23 1.61 -0.04 -1.26 -4.72 135.00 127.71 3ci7 n PRO 13 Ca -0.00 -0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 3ci7 n PRO 13 Cb 0.09 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.15 3ci7 n PRO 13 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ci7 s GLY 14 N -2.80 1.67 0.00 0.55 0.00 -1.26 -4.98 107.32 100.50 3ci7 s GLY 14 Ca 0.20 0.26 0.17 0.00 0.00 0.00 0.00 44.72 45.35 3ci7 s GLY 14 CO 0.53 0.62 0.91 0.28 0.00 0.00 0.00 173.10 175.44 3ci7 n LYS 15 N -3.59 1.59 -1.05 2.90 4.76 -1.15 -4.46 118.16 117.15 3ci7 n LYS 15 Ca 0.09 -0.92 -0.29 0.00 -2.87 0.00 0.00 58.31 54.32 3ci7 n LYS 15 Cb 0.53 -1.31 0.16 0.00 -1.84 0.00 0.00 35.03 32.57 3ci7 n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ci7 s ALA 16 N -1.95 1.12 -0.68 7.82 0.00 -0.26 -4.99 121.76 122.81 3ci7 s ALA 16 Ca 0.15 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.09 3ci7 s ALA 16 Cb 0.14 -3.21 0.18 0.00 0.00 0.00 0.00 23.12 20.23 3ci7 s ALA 16 CO 0.41 -2.71 0.51 0.54 0.00 0.00 0.00 175.76 174.51 3ci7 n ARG 17 N -4.13 1.77 -4.44 0.00 1.74 -1.26 -3.97 116.66 106.38 3ci7 n ARG 17 Ca 0.06 -4.41 -0.34 0.00 -0.77 0.00 0.00 57.85 52.40 3ci7 n ARG 17 Cb 0.55 -2.24 -0.15 0.00 -1.02 0.00 0.00 32.46 29.61 3ci7 n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ci7 s ILE 18 N -1.44 2.98 0.03 0.55 1.01 -0.70 -4.96 121.20 118.66 3ci7 s ILE 18 Ca 0.27 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 3ci7 s ILE 18 Cb -0.02 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3ci7 s ILE 18 CO -0.16 0.50 1.23 -0.63 0.00 0.00 0.00 174.94 175.87 3ci7 s ILE 19 N 0.82 4.03 0.28 2.92 -1.09 -1.26 -0.31 121.20 126.60 3ci7 s ILE 19 Ca -0.04 1.44 0.02 0.00 -2.23 0.00 0.00 60.65 59.84 3ci7 s ILE 19 Cb -0.15 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 3ci7 s ILE 19 CO 0.00 0.07 0.09 -0.13 -1.23 0.00 0.00 174.94 173.75 3ci7 s ARG 20 N 1.48 1.50 -0.02 2.79 1.81 -0.21 -4.91 118.95 121.40 3ci7 s ARG 20 Ca 0.59 -1.83 0.07 0.00 -1.72 0.00 0.00 55.73 52.84 3ci7 s ARG 20 Cb -0.29 -0.43 -0.02 0.00 -0.45 0.00 0.00 34.95 33.77 3ci7 s ARG 20 CO 0.27 -0.28 -0.22 0.71 -0.68 0.00 0.00 175.30 175.10 3ci7 s TYR 21 N -3.61 2.02 0.15 -0.53 1.51 0.33 -0.30 117.35 116.92 3ci7 s TYR 21 Ca 0.37 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 56.12 3ci7 s TYR 21 Cb 0.08 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 3ci7 s TYR 21 CO 0.14 -0.05 -0.21 -0.59 -1.11 0.00 0.00 175.55 173.73 3ci7 s PHE 22 N -0.49 1.97 -0.19 2.71 -0.12 -0.34 -0.40 117.98 121.12 3ci7 s PHE 22 Ca 0.08 -0.42 -0.27 0.00 -0.05 0.00 0.00 56.93 56.27 3ci7 s PHE 22 Cb -0.09 -1.02 -0.00 0.00 -0.63 0.00 0.00 43.02 41.27 3ci7 s PHE 22 CO -0.01 0.32 0.93 -0.47 -0.05 0.00 0.00 175.22 175.95 3ci7 s TYR 23 N -1.55 3.39 -0.65 3.49 6.14 -1.26 -1.21 117.35 125.69 3ci7 s TYR 23 Ca 0.13 1.36 -0.17 0.00 0.64 0.00 0.00 57.07 59.03 3ci7 s TYR 23 Cb -0.08 -3.13 0.14 0.00 0.42 0.00 0.00 41.96 39.31 3ci7 s TYR 23 CO 0.06 -0.35 0.68 1.21 0.64 0.00 0.00 175.55 177.79 3ci7 s ASN 24 N 1.20 6.35 0.41 4.32 3.84 0.22 -4.73 114.94 126.55 3ci7 s ASN 24 Ca 0.41 -1.88 0.21 0.00 0.21 0.00 0.00 52.86 51.80 3ci7 s ASN 24 Cb -0.16 -2.26 0.86 0.00 -0.55 0.00 0.00 41.25 39.14 3ci7 s ASN 24 CO 0.10 -0.90 1.82 0.00 -2.79 0.00 0.00 177.10 175.33 3ci7 h ALA 25 N 8.75 1.09 -0.40 1.71 0.00 -1.82 0.13 119.26 128.71 3ci7 h ALA 25 Ca -0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3ci7 h ALA 25 Cb 1.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3ci7 h ALA 25 CO 1.00 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 180.52 3ci7 h ALA 26 N 1.70 1.04 0.00 0.00 0.00 -1.94 -2.88 119.26 117.17 3ci7 h ALA 26 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ci7 h ALA 26 Cb 0.75 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ci7 h ALA 26 CO 0.04 0.58 -0.56 0.00 0.00 0.00 0.00 179.25 179.31 3ci7 n ALA 27 N -2.49 3.07 -3.46 0.00 0.00 -0.85 -4.96 120.51 111.82 3ci7 n ALA 27 Ca 0.01 -0.27 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 3ci7 n ALA 27 Cb 0.36 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.71 3ci7 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ci7 n GLY 28 N 1.39 -0.37 3.41 0.00 0.00 -0.03 -5.01 105.19 104.58 3ci7 n GLY 28 Ca 0.04 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3ci7 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ci7 s ALA 29 N -3.28 -1.37 -0.04 4.61 0.00 -0.92 -5.02 121.76 115.74 3ci7 s ALA 29 Ca 0.50 0.87 -0.24 0.00 0.00 0.00 0.00 51.96 53.08 3ci7 s ALA 29 Cb -0.22 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3ci7 s ALA 29 CO 0.65 -0.36 0.74 0.00 0.00 0.00 0.00 175.76 176.79 3ci7 s ALA 30 N -1.45 3.32 0.06 0.00 0.00 -1.26 -0.61 121.76 121.81 3ci7 s ALA 30 Ca -0.11 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.11 3ci7 s ALA 30 Cb -0.02 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3ci7 s ALA 30 CO 0.06 -0.10 -0.16 -0.65 0.00 0.00 0.00 175.76 174.92 3ci7 s GLN 31 N 0.72 0.97 0.37 0.00 -0.21 -0.35 -4.95 119.66 116.21 3ci7 s GLN 31 Ca 0.40 -0.88 -0.22 0.00 0.02 0.00 0.00 55.36 54.67 3ci7 s GLN 31 Cb -0.18 -1.02 -0.10 0.00 1.00 0.00 0.00 33.01 32.70 3ci7 s GLN 31 CO 0.20 0.25 0.92 0.00 -2.12 0.00 0.00 175.29 174.53 3ci7 s ALA 32 N -1.00 3.15 0.13 6.09 0.00 -1.26 -1.19 121.76 127.68 3ci7 s ALA 32 Ca 0.02 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 3ci7 s ALA 32 Cb -0.09 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3ci7 s ALA 32 CO 0.02 0.18 0.28 -0.59 0.00 0.00 0.00 175.76 175.64 3ci7 s PHE 33 N -1.90 0.18 -0.31 0.00 -0.12 0.59 -4.92 117.98 111.49 3ci7 s PHE 33 Ca 0.56 -0.57 -0.17 0.00 -0.05 0.00 0.00 56.93 56.69 3ci7 s PHE 33 Cb -0.13 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.26 3ci7 s PHE 33 CO 0.18 -0.66 0.49 0.08 -0.05 0.00 0.00 175.22 175.26 3ci7 s VAL 34 N -3.90 5.06 -0.15 -2.49 1.01 -1.26 -1.04 120.40 117.64 3ci7 s VAL 34 Ca 0.10 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 3ci7 s VAL 34 Cb 0.03 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3ci7 s VAL 34 CO -0.06 -0.07 0.14 -0.47 0.00 0.00 0.00 175.10 174.64 3ci7 s TYR 35 N 2.31 3.54 -1.53 5.22 5.04 0.58 -4.49 117.35 128.01 3ci7 s TYR 35 Ca 0.19 0.46 0.29 0.00 -2.44 0.00 0.00 57.07 55.57 3ci7 s TYR 35 Cb -0.16 -2.01 1.26 0.00 0.35 0.00 0.00 41.96 41.41 3ci7 s TYR 35 CO 0.12 0.59 1.89 0.41 -1.34 0.00 0.00 175.55 177.22 3ci7 n GLY 36 N 2.48 -1.07 0.21 8.97 0.00 -0.28 -1.73 105.19 113.78 3ci7 n GLY 36 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3ci7 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ci7 n GLY 37 N 1.30 0.45 2.92 -0.02 0.00 -1.26 -1.10 105.19 107.48 3ci7 n GLY 37 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3ci7 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ci7 s ALA 38 N -2.12 0.14 -1.23 4.61 0.00 -1.26 -4.91 121.76 116.99 3ci7 s ALA 38 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 3ci7 s ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3ci7 s ALA 38 CO 0.00 -0.01 0.53 0.54 0.00 0.00 0.00 175.76 176.82 3ci7 n ARG 39 N 2.72 -4.14 -1.54 0.00 3.00 -1.26 -4.28 116.66 111.17 3ci7 n ARG 39 Ca -0.15 0.72 -0.49 0.00 -0.01 0.00 0.00 57.85 57.93 3ci7 n ARG 39 Cb 0.59 -5.21 -0.04 0.00 0.00 0.00 0.00 32.46 27.80 3ci7 n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ci7 n ALA 40 N -3.31 -1.42 -1.99 7.54 0.00 -1.26 -4.87 120.51 115.20 3ci7 n ALA 40 Ca -0.08 0.46 -0.24 0.00 0.00 0.00 0.00 53.44 53.58 3ci7 n ALA 40 Cb 0.59 -1.92 0.12 0.00 0.00 0.00 0.00 19.45 18.24 3ci7 n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ci7 s LYS 41 N -0.64 1.57 0.29 0.00 1.02 -1.26 -5.02 119.74 115.69 3ci7 s LYS 41 Ca 0.71 -1.05 0.14 0.00 0.02 0.00 0.00 55.97 55.79 3ci7 s LYS 41 Cb -0.89 -2.28 0.32 0.00 -0.52 0.00 0.00 37.83 34.46 3ci7 s LYS 41 CO 0.55 -1.55 1.57 0.00 -0.92 0.00 0.00 175.35 174.99 3ci7 h ARG 42 N -0.64 0.00 -3.76 1.68 3.08 -1.95 -3.31 114.38 109.48 3ci7 h ARG 42 Ca -0.37 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.95 3ci7 h ARG 42 Cb 1.26 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.22 3ci7 h ARG 42 CO 0.40 0.56 2.64 -1.71 -1.07 0.00 0.00 179.97 180.79 3ci7 n ASN 43 N -3.49 4.44 -3.34 7.04 5.15 -1.26 -4.76 115.26 119.03 3ci7 n ASN 43 Ca 0.00 -2.96 -0.06 0.00 -0.60 0.00 0.00 54.58 50.96 3ci7 n ASN 43 Cb 0.66 -1.58 -0.06 0.00 -0.53 0.00 0.00 39.78 38.27 3ci7 n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3ci7 s ASN 44 N 2.12 -0.25 0.10 1.20 3.84 -1.25 -4.42 114.94 116.28 3ci7 s ASN 44 Ca 0.44 0.50 0.06 0.00 0.21 0.00 0.00 52.86 54.07 3ci7 s ASN 44 Cb 0.12 1.43 -0.03 0.00 -0.55 0.00 0.00 41.25 42.22 3ci7 s ASN 44 CO -0.05 -0.28 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.46 3ci7 s PHE 45 N 2.64 1.47 -0.62 0.43 0.40 0.47 -4.93 117.98 117.83 3ci7 s PHE 45 Ca 0.13 -0.48 0.25 0.00 -0.60 0.00 0.00 56.93 56.23 3ci7 s PHE 45 Cb -0.15 -0.79 0.88 0.00 0.51 0.00 0.00 43.02 43.47 3ci7 s PHE 45 CO -0.17 0.15 1.75 0.00 0.70 0.00 0.00 175.22 177.65 3ci7 n ALA 46 N 0.90 2.04 -2.44 5.36 0.00 -1.26 -0.51 120.51 124.60 3ci7 n ALA 46 Ca -0.18 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 3ci7 n ALA 46 Cb 0.55 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 3ci7 n ALA 46 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ci7 s SER 47 N -4.46 0.23 0.21 0.00 1.04 -1.26 -4.80 113.70 104.65 3ci7 s SER 47 Ca 0.08 -0.74 -0.09 0.00 0.48 0.00 0.00 55.95 55.68 3ci7 s SER 47 Cb 0.11 0.29 0.15 0.00 0.10 0.00 0.00 66.02 66.67 3ci7 s SER 47 CO 0.52 -0.68 1.81 0.00 0.98 0.00 0.00 173.24 175.87 3ci7 h ALA 48 N 2.92 0.97 -0.90 5.32 0.00 -1.94 -2.49 119.26 123.14 3ci7 h ALA 48 Ca -0.34 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3ci7 h ALA 48 Cb 1.18 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3ci7 h ALA 48 CO 0.59 0.51 0.59 0.00 0.00 0.00 0.00 179.25 180.94 3ci7 h ALA 49 N 1.20 1.45 -0.13 0.00 0.00 -1.98 -0.52 119.26 119.27 3ci7 h ALA 49 Ca 0.26 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3ci7 h ALA 49 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ci7 h ALA 49 CO -0.04 0.46 -0.51 -0.44 0.00 0.00 0.00 179.25 178.72 3ci7 h ASP 50 N 1.11 0.38 -0.54 0.00 5.19 -1.88 0.69 116.42 121.37 3ci7 h ASP 50 Ca 0.36 -0.19 -0.07 0.00 -0.62 0.00 0.00 57.03 56.51 3ci7 h ASP 50 Cb 0.05 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 3ci7 h ASP 50 CO -0.11 0.82 0.05 0.00 -3.12 0.00 0.00 179.24 176.88 3ci7 h ALA 51 N 1.19 0.72 -0.47 3.45 0.00 -0.94 -2.45 119.26 120.76 3ci7 h ALA 51 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3ci7 h ALA 51 Cb 0.99 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3ci7 h ALA 51 CO 0.08 0.50 -0.13 -0.07 0.00 0.00 0.00 179.25 179.64 3ci7 h LEU 52 N 0.80 0.92 -1.30 0.00 3.38 -0.95 -0.98 115.31 117.19 3ci7 h LEU 52 Ca 0.16 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3ci7 h LEU 52 Cb 0.46 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3ci7 h LEU 52 CO 0.02 1.08 0.50 0.00 0.09 0.00 0.00 178.44 180.13 3ci7 h ALA 53 N 0.88 1.58 0.13 1.53 0.00 -0.64 0.54 119.26 123.27 3ci7 h ALA 53 Ca 0.12 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 3ci7 h ALA 53 Cb 0.68 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ci7 h ALA 53 CO 0.05 0.33 -1.24 0.00 0.00 0.00 0.00 179.25 178.39 3ci7 h ALA 54 N 1.56 0.09 0.00 0.00 0.00 -1.26 -3.41 119.26 116.25 3ci7 h ALA 54 Ca 0.31 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ci7 h ALA 54 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ci7 h ALA 54 CO -0.10 0.91 -0.38 0.00 0.00 0.00 0.00 179.25 179.68