#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 1.50 -0.18 -0.14 -0.02 -1.26 -4.89 135.00 130.01 3ci7 n PRO 2 Ca 0.00 0.55 0.05 0.00 -2.02 0.00 0.00 63.50 62.08 3ci7 n PRO 2 Cb 0.00 -2.35 0.34 0.00 -0.02 0.00 0.00 33.50 31.47 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 1.37 1.67 0.00 3.55 0.00 -2.03 -1.32 119.26 122.50 3ci7 h ALA 3 Ca -0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3ci7 h ALA 3 Cb 1.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ci7 h ALA 3 CO 0.56 0.23 -0.02 0.27 0.00 0.00 0.00 179.25 180.29 3ci7 h PHE 4 N 0.79 0.00 0.00 0.00 -5.15 -2.00 -1.14 116.94 109.44 3ci7 h PHE 4 Ca 0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.07 3ci7 h PHE 4 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.36 3ci7 h PHE 4 CO -0.00 0.02 0.00 0.00 -2.00 0.00 0.00 178.31 176.33 3ci7 n LEU 6 N -1.91 1.78 -4.77 0.00 4.77 -0.43 -4.28 117.00 112.17 3ci7 n LEU 6 Ca 0.01 -0.59 -0.39 0.00 -0.03 0.00 0.00 56.01 55.01 3ci7 n LEU 6 Cb 0.09 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3ci7 n LEU 6 CO 0.10 0.31 0.85 -1.61 -1.33 0.00 0.00 177.39 175.70 3ci7 s GLU 7 N -2.15 4.17 0.77 3.23 2.02 -0.63 -4.99 118.70 121.10 3ci7 s GLU 7 Ca 0.31 1.88 -0.11 0.00 0.02 0.00 0.00 54.97 57.07 3ci7 s GLU 7 Cb 0.20 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.70 3ci7 s GLU 7 CO 0.39 -0.24 1.08 -1.25 0.02 0.00 0.00 175.26 175.27 3ci7 s PRO 8 N -2.13 2.30 0.53 0.39 0.04 -1.26 -4.88 135.00 129.98 3ci7 s PRO 8 Ca 0.54 0.94 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 3ci7 s PRO 8 Cb -0.32 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 3ci7 s PRO 8 CO 0.41 -1.55 1.14 -1.25 0.04 0.00 0.00 177.00 175.79 3ci7 s PRO 9 N -5.01 3.44 -0.25 0.56 0.04 -1.26 -4.90 135.00 127.62 3ci7 s PRO 9 Ca 0.60 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.30 3ci7 s PRO 9 Cb -0.16 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.36 3ci7 s PRO 9 CO 0.55 -0.79 -0.07 -0.47 0.04 0.00 0.00 177.00 176.27 3ci7 s TYR 10 N -1.73 2.74 0.18 0.56 5.04 -1.26 -5.01 117.35 117.87 3ci7 s TYR 10 Ca 0.71 -2.01 -0.06 0.00 -2.44 0.00 0.00 57.07 53.27 3ci7 s TYR 10 Cb -0.25 -1.76 0.06 0.00 0.35 0.00 0.00 41.96 40.37 3ci7 s TYR 10 CO 0.28 -0.82 1.50 0.00 -1.34 0.00 0.00 175.55 175.18 3ci7 h ALA 11 N 7.88 0.67 -0.80 3.97 0.00 -1.96 -3.43 119.26 125.59 3ci7 h ALA 11 Ca -0.18 -0.48 0.09 0.00 0.00 0.00 0.00 54.91 54.35 3ci7 h ALA 11 Cb 1.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3ci7 h ALA 11 CO 0.43 0.67 -0.16 0.41 0.00 0.00 0.00 179.25 180.61 3ci7 n GLY 12 N 0.16 -1.65 0.63 0.00 0.00 -1.26 -1.11 105.19 101.96 3ci7 n GLY 12 Ca -0.03 -1.43 0.11 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 -2.17 1.84 -1.70 1.61 -0.04 -1.26 -4.65 135.00 128.62 3ci7 n PRO 13 Ca -0.00 -1.26 -0.32 0.00 -0.04 0.00 0.00 63.50 61.88 3ci7 n PRO 13 Cb 0.16 -1.42 0.04 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.64 1.86 0.00 0.55 0.00 -1.25 -4.98 107.32 101.87 3ci7 s GLY 14 Ca 0.34 0.25 0.28 0.00 0.00 0.00 0.00 44.72 45.58 3ci7 s GLY 14 CO 0.28 0.57 1.73 0.28 0.00 0.00 0.00 173.10 175.96 3ci7 n LYS 15 N -2.76 1.65 -1.22 2.90 5.02 -1.17 -4.48 118.16 118.11 3ci7 n LYS 15 Ca 0.08 -0.97 -0.30 0.00 -2.02 0.00 0.00 58.31 55.11 3ci7 n LYS 15 Cb 0.53 -1.48 0.13 0.00 -0.02 0.00 0.00 35.03 34.19 3ci7 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ci7 s ALA 16 N -2.02 1.64 -0.42 7.82 0.00 -0.40 -5.04 121.76 123.34 3ci7 s ALA 16 Ca 0.37 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.31 3ci7 s ALA 16 Cb 0.21 -3.20 0.13 0.00 0.00 0.00 0.00 23.12 20.26 3ci7 s ALA 16 CO 0.34 -2.28 0.22 1.03 0.00 0.00 0.00 175.76 175.07 3ci7 s ARG 17 N -4.94 1.18 -0.14 0.00 0.52 -1.26 -4.22 118.95 110.09 3ci7 s ARG 17 Ca 0.63 -1.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.00 3ci7 s ARG 17 Cb -0.18 -2.25 0.02 0.00 0.52 0.00 0.00 34.95 33.06 3ci7 s ARG 17 CO 0.57 -1.14 -0.18 0.42 0.02 0.00 0.00 175.30 174.99 3ci7 s ILE 18 N 0.55 1.77 -0.10 1.52 1.01 -0.69 -4.99 121.20 120.26 3ci7 s ILE 18 Ca 0.17 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 3ci7 s ILE 18 Cb -0.24 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3ci7 s ILE 18 CO -0.02 0.49 0.95 -0.63 0.00 0.00 0.00 174.94 175.72 3ci7 s ILE 19 N 1.15 4.83 0.45 2.92 1.01 -1.26 -0.62 121.20 129.68 3ci7 s ILE 19 Ca -0.01 1.92 0.03 0.00 0.00 0.00 0.00 60.65 62.59 3ci7 s ILE 19 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 3ci7 s ILE 19 CO -0.06 0.04 0.03 -0.13 0.00 0.00 0.00 174.94 174.82 3ci7 s ARG 20 N 1.84 2.04 0.00 2.79 1.81 -0.23 -4.92 118.95 122.29 3ci7 s ARG 20 Ca 0.46 -2.25 0.05 0.00 -1.72 0.00 0.00 55.73 52.27 3ci7 s ARG 20 Cb -0.18 -1.36 -0.02 0.00 -0.45 0.00 0.00 34.95 32.95 3ci7 s ARG 20 CO 0.18 -0.28 -0.16 0.71 -0.68 0.00 0.00 175.30 175.06 3ci7 s TYR 21 N -2.92 1.46 0.16 -0.53 1.51 0.09 -0.57 117.35 116.55 3ci7 s TYR 21 Ca 0.19 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 56.05 3ci7 s TYR 21 Cb 0.05 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 3ci7 s TYR 21 CO 0.10 0.00 -0.23 -0.59 -1.11 0.00 0.00 175.55 173.72 3ci7 s PHE 22 N -0.52 2.14 -0.16 2.71 -0.12 -0.29 -0.17 117.98 121.58 3ci7 s PHE 22 Ca 0.06 -0.39 -0.27 0.00 -0.05 0.00 0.00 56.93 56.28 3ci7 s PHE 22 Cb -0.07 -1.11 -0.01 0.00 -0.63 0.00 0.00 43.02 41.20 3ci7 s PHE 22 CO 0.00 0.38 0.89 -0.47 -0.05 0.00 0.00 175.22 175.97 3ci7 s TYR 23 N -1.48 3.44 -0.64 3.49 6.14 -1.26 -0.61 117.35 126.43 3ci7 s TYR 23 Ca 0.16 1.36 -0.16 0.00 0.64 0.00 0.00 57.07 59.07 3ci7 s TYR 23 Cb -0.08 -3.07 0.16 0.00 0.42 0.00 0.00 41.96 39.38 3ci7 s TYR 23 CO 0.07 -0.25 0.60 1.21 0.64 0.00 0.00 175.55 177.83 3ci7 s ASN 24 N 1.14 6.38 0.40 4.32 3.84 0.15 -4.73 114.94 126.43 3ci7 s ASN 24 Ca 0.41 -2.07 0.18 0.00 0.21 0.00 0.00 52.86 51.59 3ci7 s ASN 24 Cb -0.17 -2.22 0.84 0.00 -0.55 0.00 0.00 41.25 39.15 3ci7 s ASN 24 CO 0.13 -0.78 1.83 0.00 -2.79 0.00 0.00 177.10 175.50 3ci7 h ALA 25 N 8.55 1.21 -0.17 1.71 0.00 -1.81 0.19 119.26 128.93 3ci7 h ALA 25 Ca -0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3ci7 h ALA 25 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ci7 h ALA 25 CO 0.95 0.42 -0.23 0.00 0.00 0.00 0.00 179.25 180.39 3ci7 h ALA 26 N 1.67 1.30 0.00 0.00 0.00 -1.94 -2.68 119.26 117.61 3ci7 h ALA 26 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ci7 h ALA 26 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ci7 h ALA 26 CO 0.04 0.47 -0.81 0.00 0.00 0.00 0.00 179.25 178.95 3ci7 n ALA 27 N -2.48 3.79 -2.58 0.00 0.00 -0.93 -4.98 120.51 113.33 3ci7 n ALA 27 Ca -0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 3ci7 n ALA 27 Cb 0.36 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 1.45 -0.14 3.40 0.00 0.00 0.62 -5.00 105.19 105.52 3ci7 n GLY 28 Ca 0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.86 -1.28 0.38 4.61 0.00 -0.93 -5.02 121.76 116.66 3ci7 s ALA 29 Ca 0.13 0.21 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 3ci7 s ALA 29 Cb -0.06 0.81 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 3ci7 s ALA 29 CO 0.16 -0.73 1.00 0.00 0.00 0.00 0.00 175.76 176.19 3ci7 s ALA 30 N -3.78 3.12 -0.00 0.00 0.00 -1.26 -0.67 121.76 119.16 3ci7 s ALA 30 Ca 0.03 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3ci7 s ALA 30 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3ci7 s ALA 30 CO -0.11 -0.03 -0.00 -0.65 0.00 0.00 0.00 175.76 174.96 3ci7 s GLN 31 N -2.45 0.06 0.35 0.00 -0.21 0.22 -4.88 119.66 112.75 3ci7 s GLN 31 Ca 0.56 -0.01 -0.25 0.00 0.02 0.00 0.00 55.36 55.68 3ci7 s GLN 31 Cb -0.19 -0.08 -0.10 0.00 1.00 0.00 0.00 33.01 33.65 3ci7 s GLN 31 CO 0.24 -0.00 0.98 0.00 -2.12 0.00 0.00 175.29 174.39 3ci7 s ALA 32 N 0.08 3.17 0.12 6.09 0.00 -1.26 -1.14 121.76 128.82 3ci7 s ALA 32 Ca -0.01 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 3ci7 s ALA 32 Cb -0.01 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3ci7 s ALA 32 CO -0.00 0.06 0.18 -0.59 0.00 0.00 0.00 175.76 175.41 3ci7 s PHE 33 N -1.67 0.43 -0.23 0.00 -0.12 0.27 -4.92 117.98 111.73 3ci7 s PHE 33 Ca 0.53 -0.84 -0.15 0.00 -0.05 0.00 0.00 56.93 56.42 3ci7 s PHE 33 Cb -0.19 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 3ci7 s PHE 33 CO 0.24 -0.60 0.37 0.08 -0.05 0.00 0.00 175.22 175.27 3ci7 s VAL 34 N -3.95 5.20 -0.06 -2.49 1.01 -1.26 -1.07 120.40 117.78 3ci7 s VAL 34 Ca 0.14 0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 3ci7 s VAL 34 Cb 0.05 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3ci7 s VAL 34 CO -0.04 0.22 0.04 -0.47 0.00 0.00 0.00 175.10 174.85 3ci7 s TYR 35 N 1.62 3.23 -2.51 5.22 5.04 0.21 -4.48 117.35 125.67 3ci7 s TYR 35 Ca 0.17 0.22 0.24 0.00 -2.44 0.00 0.00 57.07 55.26 3ci7 s TYR 35 Cb -0.15 -1.78 0.69 0.00 0.35 0.00 0.00 41.96 41.07 3ci7 s TYR 35 CO 0.08 0.52 1.53 0.41 -1.34 0.00 0.00 175.55 176.75 3ci7 n GLY 36 N 1.79 0.57 0.77 8.97 0.00 -0.27 -1.71 105.19 115.32 3ci7 n GLY 36 Ca -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.25 0.71 2.99 -0.02 0.00 -1.26 -1.28 105.19 107.58 3ci7 n GLY 37 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.38 0.51 -0.93 4.61 0.00 -1.26 -4.92 121.76 117.39 3ci7 s ALA 38 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 3ci7 s ALA 38 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3ci7 s ALA 38 CO 0.00 0.09 0.68 0.54 0.00 0.00 0.00 175.76 177.07 3ci7 n ARG 39 N 2.60 -4.72 -1.65 0.00 5.12 -1.26 -4.34 116.66 112.41 3ci7 n ARG 39 Ca -0.15 0.56 -0.42 0.00 -1.93 0.00 0.00 57.85 55.91 3ci7 n ARG 39 Cb 0.57 -4.76 -0.00 0.00 -1.16 0.00 0.00 32.46 27.11 3ci7 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ci7 n ALA 40 N -3.83 0.63 -2.10 7.54 0.00 -1.26 -4.86 120.51 116.63 3ci7 n ALA 40 Ca -0.02 0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 3ci7 n ALA 40 Cb 0.55 -2.15 0.03 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.89 2.48 0.18 0.00 1.02 -1.26 -5.05 119.74 115.21 3ci7 s LYS 41 Ca 0.59 -1.56 -0.10 0.00 0.02 0.00 0.00 55.97 54.92 3ci7 s LYS 41 Cb -0.59 -2.57 0.07 0.00 -0.52 0.00 0.00 37.83 34.22 3ci7 s LYS 41 CO 0.60 -0.57 1.66 0.00 -0.92 0.00 0.00 175.35 176.11 3ci7 h ARG 42 N 0.49 1.06 -4.47 1.68 3.08 -1.95 -3.32 114.38 110.96 3ci7 h ARG 42 Ca -0.35 -0.31 -0.71 0.00 0.07 0.00 0.00 59.98 58.68 3ci7 h ARG 42 Cb 1.29 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 31.14 3ci7 h ARG 42 CO 0.46 1.01 2.55 -1.71 -1.07 0.00 0.00 179.97 181.22 3ci7 n ASN 43 N -4.23 4.47 -3.21 7.04 5.15 -1.26 -4.72 115.26 118.50 3ci7 n ASN 43 Ca 0.03 -2.92 -0.01 0.00 -0.60 0.00 0.00 54.58 51.09 3ci7 n ASN 43 Cb 0.32 -1.65 -0.03 0.00 -0.53 0.00 0.00 39.78 37.89 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 3.04 -0.89 0.12 1.20 3.84 -1.25 -4.47 114.94 116.54 3ci7 s ASN 44 Ca 0.47 0.21 0.10 0.00 0.21 0.00 0.00 52.86 53.85 3ci7 s ASN 44 Cb 0.09 1.74 -0.04 0.00 -0.55 0.00 0.00 41.25 42.50 3ci7 s ASN 44 CO -0.02 -0.30 -0.26 -0.36 -2.79 0.00 0.00 177.10 173.37 3ci7 s PHE 45 N 2.74 2.21 0.33 0.43 0.40 0.76 -4.92 117.98 119.92 3ci7 s PHE 45 Ca 0.13 -0.39 0.25 0.00 -0.60 0.00 0.00 56.93 56.32 3ci7 s PHE 45 Cb -0.12 -1.20 1.22 0.00 0.51 0.00 0.00 43.02 43.43 3ci7 s PHE 45 CO -0.25 0.31 1.97 0.00 0.70 0.00 0.00 175.22 177.96 3ci7 h ALA 46 N 3.92 1.21 -2.61 5.36 0.00 -1.92 0.30 119.26 125.51 3ci7 h ALA 46 Ca -0.50 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 3ci7 h ALA 46 Cb 1.17 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 3ci7 h ALA 46 CO 0.39 0.22 -0.20 -1.54 0.00 0.00 0.00 179.25 178.12 3ci7 s SER 47 N -6.23 -0.12 0.23 0.00 1.04 -1.26 -4.74 113.70 102.62 3ci7 s SER 47 Ca -0.02 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.01 3ci7 s SER 47 Cb 0.12 0.40 0.22 0.00 0.10 0.00 0.00 66.02 66.86 3ci7 s SER 47 CO 0.61 -0.73 1.89 0.00 0.98 0.00 0.00 173.24 175.99 3ci7 h ALA 48 N 2.78 1.15 -0.88 5.32 0.00 -1.94 -2.22 119.26 123.47 3ci7 h ALA 48 Ca -0.33 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.54 3ci7 h ALA 48 Cb 1.22 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3ci7 h ALA 48 CO 0.48 0.59 0.56 0.00 0.00 0.00 0.00 179.25 180.88 3ci7 h ALA 49 N 1.31 1.17 -0.58 0.00 0.00 -1.99 -0.16 119.26 119.02 3ci7 h ALA 49 Ca 0.33 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3ci7 h ALA 49 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3ci7 h ALA 49 CO -0.07 0.37 0.08 -0.44 0.00 0.00 0.00 179.25 179.20 3ci7 h ASP 50 N 1.06 0.93 -0.58 0.00 3.32 -1.86 -0.65 116.42 118.64 3ci7 h ASP 50 Ca 0.36 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3ci7 h ASP 50 Cb 0.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3ci7 h ASP 50 CO -0.14 0.97 0.23 0.00 -1.72 0.00 0.00 179.24 178.58 3ci7 h ALA 51 N 1.00 0.76 -0.30 3.45 0.00 -0.81 -2.39 119.26 120.97 3ci7 h ALA 51 Ca 0.17 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3ci7 h ALA 51 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ci7 h ALA 51 CO 0.01 0.38 -0.41 -0.07 0.00 0.00 0.00 179.25 179.16 3ci7 h LEU 52 N 0.81 0.77 -1.30 0.00 3.38 -0.92 -0.97 115.31 117.09 3ci7 h LEU 52 Ca 0.19 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ci7 h LEU 52 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3ci7 h LEU 52 CO -0.01 1.09 0.37 0.00 0.09 0.00 0.00 178.44 179.97 3ci7 h ALA 53 N 0.95 1.47 0.17 1.53 0.00 -0.88 0.07 119.26 122.57 3ci7 h ALA 53 Ca 0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 3ci7 h ALA 53 Cb 0.95 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ci7 h ALA 53 CO 0.09 0.45 -1.40 0.00 0.00 0.00 0.00 179.25 178.39 3ci7 h ALA 54 N 1.54 0.04 0.00 0.00 0.00 -1.21 -3.43 119.26 116.20 3ci7 h ALA 54 Ca 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3ci7 h ALA 54 Cb -0.02 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ci7 h ALA 54 CO -0.04 0.91 -0.41 0.00 0.00 0.00 0.00 179.25 179.70 3ci7 h ALA 56 N 0.00 0.65 -2.81 0.00 0.00 -1.13 -3.44 119.26 112.53 3ci7 h ALA 56 Ca 0.00 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 54.23 3ci7 h ALA 56 Cb 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 17.79 17.65 3ci7 h ALA 56 CO 0.00 0.27 0.67 0.00 0.00 0.00 0.00 179.25 180.19 3ci7 s ALA 57 N -5.52 3.53 -1.69 0.00 0.00 -1.26 -5.09 121.76 111.73 3ci7 s ALA 57 Ca -0.13 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3ci7 s ALA 57 Cb 0.12 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3ci7 s ALA 57 CO 0.78 -0.64 0.42 0.00 0.00 0.00 0.00 175.76 176.32