#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 2.12 0.12 -0.14 -0.02 -1.26 -4.86 135.00 130.95 3ci7 n PRO 2 Ca 0.00 0.74 0.08 0.00 -2.02 0.00 0.00 63.50 62.30 3ci7 n PRO 2 Cb 0.00 -2.34 0.55 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.50 1.93 0.00 3.55 0.00 -2.02 -1.31 119.26 123.92 3ci7 h ALA 3 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ci7 h ALA 3 Cb 1.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ci7 h ALA 3 CO 0.62 0.04 -0.04 0.27 0.00 0.00 0.00 179.25 180.14 3ci7 h PHE 4 N 0.23 0.00 0.00 0.00 -5.15 -1.99 -1.34 116.94 108.70 3ci7 h PHE 4 Ca 0.10 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.87 3ci7 h PHE 4 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.27 3ci7 h PHE 4 CO -0.00 0.04 0.00 0.00 -2.00 0.00 0.00 178.31 176.35 3ci7 n LEU 6 N -2.27 1.95 -4.73 0.00 4.77 -0.51 -4.42 117.00 111.79 3ci7 n LEU 6 Ca -0.00 -0.69 -0.41 0.00 -0.03 0.00 0.00 56.01 54.87 3ci7 n LEU 6 Cb 0.09 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3ci7 n LEU 6 CO 0.13 0.36 0.78 -0.70 -1.33 0.00 0.00 177.39 176.62 3ci7 s GLU 7 N -2.41 4.59 0.76 3.23 2.12 -0.60 -5.00 118.70 121.38 3ci7 s GLU 7 Ca 0.21 1.67 -0.15 0.00 0.36 0.00 0.00 54.97 57.07 3ci7 s GLU 7 Cb 0.19 -3.31 0.05 0.00 0.26 0.00 0.00 34.13 31.32 3ci7 s GLU 7 CO 0.53 0.05 1.24 -2.14 -0.54 0.00 0.00 175.26 174.40 3ci7 s PRO 8 N -0.10 1.92 0.27 4.30 0.02 -1.26 -4.80 135.00 135.35 3ci7 s PRO 8 Ca 0.50 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 3ci7 s PRO 8 Cb -0.28 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 3ci7 s PRO 8 CO 0.33 -2.03 1.15 -1.25 -0.33 0.00 0.00 177.00 174.88 3ci7 s PRO 9 N -3.88 4.56 -0.29 5.54 0.04 -1.26 -4.85 135.00 134.86 3ci7 s PRO 9 Ca 0.76 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 63.66 3ci7 s PRO 9 Cb -0.32 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.08 3ci7 s PRO 9 CO 0.47 0.09 0.01 -0.47 0.04 0.00 0.00 177.00 177.13 3ci7 s TYR 10 N -0.93 3.18 0.21 0.56 5.04 -1.26 -4.98 117.35 119.16 3ci7 s TYR 10 Ca 0.47 -1.56 -0.07 0.00 -2.44 0.00 0.00 57.07 53.47 3ci7 s TYR 10 Cb -0.33 -2.14 0.16 0.00 0.35 0.00 0.00 41.96 40.00 3ci7 s TYR 10 CO 0.42 -0.73 1.72 0.00 -1.34 0.00 0.00 175.55 175.61 3ci7 h ALA 11 N 8.07 0.97 -0.57 3.97 0.00 -1.95 -3.44 119.26 126.31 3ci7 h ALA 11 Ca -0.27 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.45 3ci7 h ALA 11 Cb 1.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ci7 h ALA 11 CO 0.57 0.65 -0.10 0.41 0.00 0.00 0.00 179.25 180.77 3ci7 n GLY 12 N -0.63 -1.51 0.32 0.00 0.00 -1.26 -1.17 105.19 100.94 3ci7 n GLY 12 Ca 0.04 -1.46 0.14 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.81 1.21 -1.69 1.61 -0.04 -1.26 -4.70 135.00 128.33 3ci7 n PRO 13 Ca 0.00 -0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 62.51 3ci7 n PRO 13 Cb 0.12 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.22 1.85 0.00 0.55 0.00 -1.26 -4.97 107.32 101.27 3ci7 s GLY 14 Ca 0.33 0.25 0.27 0.00 0.00 0.00 0.00 44.72 45.57 3ci7 s GLY 14 CO 0.42 0.57 1.62 0.28 0.00 0.00 0.00 173.10 175.98 3ci7 n LYS 15 N -2.78 1.06 -0.95 2.90 4.01 -1.12 -4.44 118.16 116.84 3ci7 n LYS 15 Ca 0.08 -0.62 -0.29 0.00 -0.51 0.00 0.00 58.31 56.97 3ci7 n LYS 15 Cb 0.53 -1.49 0.18 0.00 -0.51 0.00 0.00 35.03 33.74 3ci7 n LYS 15 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ci7 s ALA 16 N -2.37 0.90 -0.54 7.82 0.00 -0.22 -5.01 121.76 122.35 3ci7 s ALA 16 Ca 0.28 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3ci7 s ALA 16 Cb 0.20 -3.23 0.23 0.00 0.00 0.00 0.00 23.12 20.32 3ci7 s ALA 16 CO 0.47 -2.89 0.59 0.54 0.00 0.00 0.00 175.76 174.47 3ci7 n ARG 17 N -4.26 1.53 -4.05 0.00 1.74 -1.25 -4.00 116.66 106.37 3ci7 n ARG 17 Ca 0.06 -3.97 -0.35 0.00 -0.77 0.00 0.00 57.85 52.83 3ci7 n ARG 17 Cb 0.55 -1.83 -0.09 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.59 4.75 -0.17 0.55 1.01 -0.34 -4.92 121.20 120.48 3ci7 s ILE 18 Ca 0.35 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 3ci7 s ILE 18 Cb 0.12 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.46 3ci7 s ILE 18 CO -0.09 0.49 1.08 -0.63 0.00 0.00 0.00 174.94 175.79 3ci7 s ILE 19 N 0.13 4.60 0.36 2.92 -1.09 -1.26 -0.17 121.20 126.69 3ci7 s ILE 19 Ca 0.05 1.92 0.04 0.00 -2.23 0.00 0.00 60.65 60.42 3ci7 s ILE 19 Cb -0.12 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.47 3ci7 s ILE 19 CO 0.01 -0.11 0.06 -0.13 -1.23 0.00 0.00 174.94 173.54 3ci7 s ARG 20 N 2.84 1.77 0.03 2.79 1.81 -0.36 -4.93 118.95 122.90 3ci7 s ARG 20 Ca 0.48 -2.01 0.07 0.00 -1.72 0.00 0.00 55.73 52.55 3ci7 s ARG 20 Cb -0.18 -0.99 -0.02 0.00 -0.45 0.00 0.00 34.95 33.31 3ci7 s ARG 20 CO 0.12 -0.22 -0.22 0.71 -0.68 0.00 0.00 175.30 175.01 3ci7 s TYR 21 N -3.17 1.93 0.11 -0.53 1.51 0.21 -0.58 117.35 116.82 3ci7 s TYR 21 Ca 0.32 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 3ci7 s TYR 21 Cb 0.08 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 3ci7 s TYR 21 CO 0.15 0.06 -0.13 -0.59 -1.11 0.00 0.00 175.55 173.93 3ci7 s PHE 22 N -0.72 1.28 -0.29 2.71 -0.12 -0.30 -0.30 117.98 120.24 3ci7 s PHE 22 Ca 0.08 -0.57 -0.29 0.00 -0.05 0.00 0.00 56.93 56.11 3ci7 s PHE 22 Cb -0.09 -0.68 0.01 0.00 -0.63 0.00 0.00 43.02 41.63 3ci7 s PHE 22 CO 0.01 0.09 1.04 -0.47 -0.05 0.00 0.00 175.22 175.84 3ci7 s TYR 23 N -2.07 3.21 -0.62 3.49 6.14 -1.26 -0.97 117.35 125.26 3ci7 s TYR 23 Ca 0.06 1.25 -0.19 0.00 0.64 0.00 0.00 57.07 58.82 3ci7 s TYR 23 Cb -0.05 -3.53 0.10 0.00 0.42 0.00 0.00 41.96 38.90 3ci7 s TYR 23 CO 0.02 -0.67 0.76 1.21 0.64 0.00 0.00 175.55 177.51 3ci7 s ASN 24 N 1.52 6.22 0.46 4.32 3.84 0.48 -4.74 114.94 127.04 3ci7 s ASN 24 Ca 0.44 -1.46 0.20 0.00 0.21 0.00 0.00 52.86 52.25 3ci7 s ASN 24 Cb -0.13 -2.32 1.13 0.00 -0.55 0.00 0.00 41.25 39.38 3ci7 s ASN 24 CO 0.12 -1.14 1.98 0.00 -2.79 0.00 0.00 177.10 175.28 3ci7 h ALA 25 N 9.17 1.43 -0.21 1.71 0.00 -1.83 0.13 119.26 129.66 3ci7 h ALA 25 Ca -0.26 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3ci7 h ALA 25 Cb 1.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ci7 h ALA 25 CO 1.10 0.25 -0.30 0.00 0.00 0.00 0.00 179.25 180.30 3ci7 h ALA 26 N 1.80 1.09 0.00 0.00 0.00 -1.95 -3.00 119.26 117.20 3ci7 h ALA 26 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ci7 h ALA 26 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ci7 h ALA 26 CO 0.03 0.57 -1.21 0.00 0.00 0.00 0.00 179.25 178.63 3ci7 n ALA 27 N -2.49 3.10 -1.99 0.00 0.00 -0.87 -4.95 120.51 113.30 3ci7 n ALA 27 Ca -0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 3ci7 n ALA 27 Cb 0.43 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 1.30 0.24 3.20 0.00 0.00 0.39 -5.01 105.19 105.32 3ci7 n GLY 28 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.53 1.37 -0.20 4.61 0.00 -1.03 -4.98 121.76 119.00 3ci7 s ALA 29 Ca 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 3ci7 s ALA 29 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3ci7 s ALA 29 CO 0.00 0.24 0.41 0.00 0.00 0.00 0.00 175.76 176.41 3ci7 s ALA 30 N -1.15 3.55 0.12 0.00 0.00 -1.26 -0.39 121.76 122.64 3ci7 s ALA 30 Ca 0.01 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.51 3ci7 s ALA 30 Cb -0.10 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3ci7 s ALA 30 CO 0.03 -0.31 -0.11 -0.65 0.00 0.00 0.00 175.76 174.71 3ci7 s GLN 31 N 1.33 0.96 0.45 0.00 -0.21 -0.14 -4.88 119.66 117.16 3ci7 s GLN 31 Ca 0.20 -1.26 -0.21 0.00 0.02 0.00 0.00 55.36 54.11 3ci7 s GLN 31 Cb -0.15 -0.68 -0.10 0.00 1.00 0.00 0.00 33.01 33.08 3ci7 s GLN 31 CO 0.08 0.11 0.97 0.00 -2.12 0.00 0.00 175.29 174.33 3ci7 s ALA 32 N -2.58 3.01 0.13 6.09 0.00 -1.26 -1.15 121.76 125.99 3ci7 s ALA 32 Ca 0.10 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 3ci7 s ALA 32 Cb -0.02 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.96 3ci7 s ALA 32 CO 0.01 0.02 0.37 -0.59 0.00 0.00 0.00 175.76 175.58 3ci7 s PHE 33 N -2.17 -0.12 -0.24 0.00 -0.12 0.25 -4.90 117.98 110.67 3ci7 s PHE 33 Ca 0.63 -0.22 -0.15 0.00 -0.05 0.00 0.00 56.93 57.13 3ci7 s PHE 33 Cb -0.10 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 3ci7 s PHE 33 CO 0.15 -0.70 0.38 0.08 -0.05 0.00 0.00 175.22 175.09 3ci7 s VAL 34 N -3.82 5.18 -0.10 -2.49 1.01 -1.26 -1.23 120.40 117.69 3ci7 s VAL 34 Ca 0.04 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 3ci7 s VAL 34 Cb 0.02 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3ci7 s VAL 34 CO -0.11 0.19 0.01 -0.47 0.00 0.00 0.00 175.10 174.72 3ci7 s TYR 35 N 1.78 3.17 -2.06 5.22 5.04 0.76 -4.43 117.35 126.83 3ci7 s TYR 35 Ca 0.16 0.14 0.29 0.00 -2.44 0.00 0.00 57.07 55.23 3ci7 s TYR 35 Cb -0.15 -1.84 1.37 0.00 0.35 0.00 0.00 41.96 41.69 3ci7 s TYR 35 CO 0.09 0.40 1.93 0.41 -1.34 0.00 0.00 175.55 177.04 3ci7 n GLY 36 N 2.40 -0.62 0.86 8.97 0.00 -0.32 -1.20 105.19 115.27 3ci7 n GLY 36 Ca -0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.16 1.09 3.13 -0.02 0.00 -1.26 -1.05 105.19 108.23 3ci7 n GLY 37 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.29 1.15 -1.27 4.61 0.00 -1.26 -4.88 121.76 117.82 3ci7 s ALA 38 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 3ci7 s ALA 38 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3ci7 s ALA 38 CO 0.00 0.24 1.09 0.54 0.00 0.00 0.00 175.76 177.63 3ci7 n ARG 39 N 2.20 -7.27 -1.67 0.00 3.00 -1.26 -4.31 116.66 107.35 3ci7 n ARG 39 Ca -0.17 0.82 -0.44 0.00 -0.01 0.00 0.00 57.85 58.06 3ci7 n ARG 39 Cb 0.55 -5.82 -0.01 0.00 0.00 0.00 0.00 32.46 27.18 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 -4.58 0.92 -2.97 7.54 0.00 -1.26 -4.86 120.51 115.30 3ci7 n ALA 40 Ca -0.12 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 3ci7 n ALA 40 Cb 0.61 -2.21 0.07 0.00 0.00 0.00 0.00 19.45 17.91 3ci7 n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ci7 n LYS 41 N 0.97 0.54 0.09 0.00 5.02 -1.26 -5.05 118.16 118.47 3ci7 n LYS 41 Ca 0.07 -2.78 -0.08 0.00 -2.02 0.00 0.00 58.31 53.50 3ci7 n LYS 41 Cb 0.34 -0.27 -0.02 0.00 -0.02 0.00 0.00 35.03 35.06 3ci7 n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ci7 h ARG 42 N 0.00 0.15 -3.89 1.97 3.08 -1.94 -3.34 114.38 110.41 3ci7 h ARG 42 Ca -0.25 -0.17 -0.76 0.00 0.07 0.00 0.00 59.98 58.86 3ci7 h ARG 42 Cb 1.13 0.05 -0.18 0.00 0.08 0.00 0.00 29.97 31.05 3ci7 h ARG 42 CO 0.35 0.94 1.54 -1.71 -1.07 0.00 0.00 179.97 180.02 3ci7 n ASN 43 N -3.62 5.31 -3.27 7.04 2.85 -1.26 -4.77 115.26 117.54 3ci7 n ASN 43 Ca -0.03 -3.09 -0.00 0.00 -0.11 0.00 0.00 54.58 51.35 3ci7 n ASN 43 Cb 0.82 -1.48 -0.03 0.00 1.24 0.00 0.00 39.78 40.32 3ci7 n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3ci7 s ASN 44 N 1.30 -0.92 0.10 1.20 3.84 -1.25 -4.52 114.94 114.70 3ci7 s ASN 44 Ca 0.39 0.80 0.04 0.00 0.21 0.00 0.00 52.86 54.31 3ci7 s ASN 44 Cb 0.03 1.89 -0.04 0.00 -0.55 0.00 0.00 41.25 42.59 3ci7 s ASN 44 CO 0.01 -0.26 -0.11 -0.36 -2.79 0.00 0.00 177.10 173.58 3ci7 s PHE 45 N 2.78 1.16 -0.01 0.43 0.40 0.59 -4.92 117.98 118.40 3ci7 s PHE 45 Ca 0.15 -0.61 0.26 0.00 -0.60 0.00 0.00 56.93 56.12 3ci7 s PHE 45 Cb -0.15 -0.62 0.85 0.00 0.51 0.00 0.00 43.02 43.61 3ci7 s PHE 45 CO -0.19 0.04 1.79 0.00 0.70 0.00 0.00 175.22 177.56 3ci7 h ALA 46 N 3.61 0.97 -2.48 5.36 0.00 -1.91 0.62 119.26 125.42 3ci7 h ALA 46 Ca -0.38 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3ci7 h ALA 46 Cb 1.19 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 3ci7 h ALA 46 CO 0.51 0.19 -0.41 -1.54 0.00 0.00 0.00 179.25 178.01 3ci7 s SER 47 N -6.08 0.15 0.21 0.00 1.04 -1.26 -4.79 113.70 102.97 3ci7 s SER 47 Ca 0.02 -0.66 -0.09 0.00 0.48 0.00 0.00 55.95 55.70 3ci7 s SER 47 Cb 0.09 0.32 0.23 0.00 0.10 0.00 0.00 66.02 66.76 3ci7 s SER 47 CO 0.63 -0.70 1.83 0.00 0.98 0.00 0.00 173.24 175.98 3ci7 h ALA 48 N 2.87 0.95 -0.90 5.32 0.00 -1.90 -2.34 119.26 123.25 3ci7 h ALA 48 Ca -0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ci7 h ALA 48 Cb 1.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3ci7 h ALA 48 CO 0.57 0.15 0.54 0.00 0.00 0.00 0.00 179.25 180.51 3ci7 h ALA 49 N 1.34 1.26 -0.37 0.00 0.00 -1.96 -0.93 119.26 118.60 3ci7 h ALA 49 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ci7 h ALA 49 Cb 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ci7 h ALA 49 CO -0.15 0.64 0.24 -0.44 0.00 0.00 0.00 179.25 179.54 3ci7 h ASP 50 N 1.25 0.42 -0.59 0.00 3.32 -1.89 -0.88 116.42 118.05 3ci7 h ASP 50 Ca 0.32 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 3ci7 h ASP 50 Cb -0.05 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3ci7 h ASP 50 CO -0.06 0.30 0.19 0.00 -1.72 0.00 0.00 179.24 177.95 3ci7 h ALA 51 N 1.13 1.15 -0.46 3.45 0.00 -0.88 -2.24 119.26 121.41 3ci7 h ALA 51 Ca 0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3ci7 h ALA 51 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3ci7 h ALA 51 CO -0.03 0.59 -0.23 -0.07 0.00 0.00 0.00 179.25 179.51 3ci7 h LEU 52 N 0.92 0.97 -1.11 0.00 3.38 -0.91 -1.03 115.31 117.54 3ci7 h LEU 52 Ca 0.20 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3ci7 h LEU 52 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3ci7 h LEU 52 CO -0.01 1.15 0.21 0.00 0.09 0.00 0.00 178.44 179.89 3ci7 h ALA 53 N 0.91 1.29 0.03 1.53 0.00 -0.90 0.46 119.26 122.59 3ci7 h ALA 53 Ca 0.11 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 3ci7 h ALA 53 Cb 0.79 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ci7 h ALA 53 CO 0.07 0.52 -1.00 0.00 0.00 0.00 0.00 179.25 178.84 3ci7 h ALA 54 N 1.41 0.33 0.00 0.00 0.00 -1.16 -3.42 119.26 116.41 3ci7 h ALA 54 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ci7 h ALA 54 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ci7 h ALA 54 CO -0.02 0.85 -0.26 0.00 0.00 0.00 0.00 179.25 179.83 3ci7 h ALA 56 N 0.00 0.98 -2.73 0.00 0.00 -1.08 -3.45 119.26 112.98 3ci7 h ALA 56 Ca 0.00 -0.54 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 3ci7 h ALA 56 Cb 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ci7 h ALA 56 CO 0.00 0.74 0.50 0.00 0.00 0.00 0.00 179.25 180.49 3ci7 s ALA 57 N -3.69 3.22 -1.50 0.00 0.00 -1.26 -5.08 121.76 113.45 3ci7 s ALA 57 Ca -0.02 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3ci7 s ALA 57 Cb 0.13 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3ci7 s ALA 57 CO 0.77 -0.43 0.38 0.00 0.00 0.00 0.00 175.76 176.47