#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 s VAL 2 N 0.00 3.63 0.54 5.15 1.01 -1.26 -5.01 120.40 124.46 1i17 s VAL 2 Ca 0.00 0.72 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 1i17 s VAL 2 Cb 0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 1i17 s VAL 2 CO 0.00 -0.23 1.14 0.00 0.00 0.00 0.00 175.10 176.01 1i17 s ALA 3 N 5.12 2.72 0.23 5.51 0.00 -1.26 -5.02 121.76 129.06 1i17 s ALA 3 Ca 0.74 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 1i17 s ALA 3 Cb -0.27 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 1i17 s ALA 3 CO 0.30 -0.78 1.49 -1.21 0.00 0.00 0.00 175.76 175.56 1i17 s GLU 4 N -3.20 4.23 -1.08 0.00 8.01 -1.26 -4.92 118.70 120.49 1i17 s GLU 4 Ca 0.72 2.35 -0.09 0.00 0.01 0.00 0.00 54.97 57.95 1i17 s GLU 4 Cb -0.25 -3.11 -0.07 0.00 -4.31 0.00 0.00 34.13 26.39 1i17 s GLU 4 CO 0.28 -0.50 2.26 -1.71 0.01 0.00 0.00 175.26 175.61 1i17 n ASN 5 N 2.77 5.29 -4.84 -0.19 5.15 -1.26 -4.93 115.26 117.25 1i17 n ASN 5 Ca 0.09 -2.46 -0.31 0.00 -0.60 0.00 0.00 54.58 51.30 1i17 n ASN 5 Cb 0.39 -1.23 0.03 0.00 -0.53 0.00 0.00 39.78 38.44 1i17 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i17 s ARG 6 N 3.38 3.28 -0.05 1.20 1.70 -1.26 -4.89 118.95 122.30 1i17 s ARG 6 Ca 0.49 0.88 -0.34 0.00 -0.47 0.00 0.00 55.73 56.29 1i17 s ARG 6 Cb 0.13 -2.04 -0.12 0.00 -0.57 0.00 0.00 34.95 32.35 1i17 s ARG 6 CO -0.02 -0.82 1.87 -0.35 -1.08 0.00 0.00 175.30 174.90 1i17 n PRO 7 N -2.85 2.26 0.00 3.89 -0.04 -1.26 -1.38 135.00 135.61 1i17 n PRO 7 Ca 0.07 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1i17 n PRO 7 Cb 0.54 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1i17 n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i17 n GLY 8 N 4.35 2.13 3.73 0.55 0.00 0.68 -4.61 105.19 112.02 1i17 n GLY 8 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1i17 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 n ALA 9 N -0.09 2.53 -1.74 4.61 0.00 -0.48 -4.15 120.51 121.18 1i17 n ALA 9 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 1i17 n ALA 9 Cb 0.00 -2.47 0.01 0.00 0.00 0.00 0.00 19.45 16.99 1i17 n ALA 9 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1i17 n PHE 10 N 2.75 2.60 -3.75 0.00 3.72 -1.26 -1.02 117.46 120.49 1i17 n PHE 10 Ca 0.11 0.48 -0.36 0.00 -0.05 0.00 0.00 57.45 57.63 1i17 n PHE 10 Cb 0.36 -2.46 -0.11 0.00 -0.94 0.00 0.00 39.48 36.33 1i17 n PHE 10 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1i17 s ILE 11 N -1.15 3.47 -0.29 4.37 1.01 0.23 -4.82 121.20 124.02 1i17 s ILE 11 Ca 0.57 -2.39 -0.18 0.00 0.00 0.00 0.00 60.65 58.65 1i17 s ILE 11 Cb -0.49 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1i17 s ILE 11 CO 0.61 -0.77 0.53 -0.54 0.00 0.00 0.00 174.94 174.77 1i17 s LYS 12 N 0.69 3.94 0.00 2.79 1.02 -1.26 -1.47 119.74 125.45 1i17 s LYS 12 Ca 0.11 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.30 1i17 s LYS 12 Cb -0.22 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 1i17 s LYS 12 CO -0.04 -0.45 0.00 1.04 -0.92 0.00 0.00 175.35 174.98 1i17 n GLN 13 N 5.63 0.00 -1.29 1.68 6.02 -1.26 -4.97 117.38 123.20 1i17 n GLN 13 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1i17 n GLN 13 Cb 0.49 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.96 1i17 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i17 n GLY 14 N 3.23 0.70 2.71 1.08 0.00 -1.26 -5.07 105.19 106.57 1i17 n GLY 14 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1i17 n GLY 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i17 n ARG 15 N -0.93 1.88 -1.43 1.61 0.63 -1.26 -5.04 116.66 112.12 1i17 n ARG 15 Ca 0.00 -4.41 -0.48 0.00 -0.92 0.00 0.00 57.85 52.04 1i17 n ARG 15 Cb 0.37 -2.20 -0.10 0.00 0.45 0.00 0.00 32.46 30.98 1i17 n ARG 15 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1i17 n LYS 16 N 1.69 0.49 -1.73 -0.14 4.81 -1.26 -4.93 118.16 117.10 1i17 n LYS 16 Ca 0.23 0.09 -0.29 0.00 -0.87 0.00 0.00 58.31 57.48 1i17 n LYS 16 Cb 0.38 -2.08 0.13 0.00 0.02 0.00 0.00 35.03 33.49 1i17 n LYS 16 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1i17 s LEU 17 N 8.14 2.26 -0.50 3.14 1.43 -1.26 -5.07 118.68 126.83 1i17 s LEU 17 Ca 1.18 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 55.07 1i17 s LEU 17 Cb -1.04 -3.06 0.13 0.00 0.03 0.00 0.00 46.19 42.24 1i17 s LEU 17 CO 0.50 -2.40 0.25 -0.62 0.23 0.00 0.00 176.35 174.31 1i17 s ASP 18 N -4.40 4.20 -0.07 2.29 2.15 -1.26 -5.07 116.67 114.51 1i17 s ASP 18 Ca 0.65 -2.90 0.01 0.00 0.43 0.00 0.00 52.55 50.74 1i17 s ASP 18 Cb -0.11 -1.52 0.02 0.00 -0.30 0.00 0.00 42.92 41.02 1i17 s ASP 18 CO 0.52 -0.24 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.58 1i17 s ILE 19 N -0.12 0.77 -1.16 4.11 1.01 -1.26 -5.09 121.20 119.47 1i17 s ILE 19 Ca 0.17 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 1i17 s ILE 19 Cb -0.25 -0.79 0.10 0.00 0.01 0.00 0.00 42.46 41.53 1i17 s ILE 19 CO -0.00 0.30 1.51 -0.62 0.00 0.00 0.00 174.94 176.13 1i17 s ASP 20 N 1.22 6.79 0.22 3.58 2.15 -1.26 -4.81 116.67 124.57 1i17 s ASP 20 Ca -0.05 -2.31 -0.09 0.00 0.43 0.00 0.00 52.55 50.53 1i17 s ASP 20 Cb -0.14 -2.51 0.17 0.00 -0.30 0.00 0.00 42.92 40.15 1i17 s ASP 20 CO -0.02 -1.12 1.86 -0.26 -0.17 0.00 0.00 175.17 175.45 1i17 h PHE 21 N 8.14 1.07 0.00 -5.34 0.04 -1.98 -3.50 116.94 115.37 1i17 h PHE 21 Ca 0.32 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1i17 h PHE 21 Cb 0.92 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1i17 h PHE 21 CO 1.28 0.72 0.00 0.41 -0.60 0.00 0.00 178.31 180.12 1i17 n GLY 22 N -1.19 3.45 0.37 -1.45 0.00 -1.26 -4.85 105.19 100.26 1i17 n GLY 22 Ca 0.08 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 1i17 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 h ALA 23 N 0.00 -0.08 0.21 4.61 0.00 -1.99 0.17 119.26 122.18 1i17 h ALA 23 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1i17 h ALA 23 Cb 0.00 0.90 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1i17 h ALA 23 CO 0.00 -0.71 -0.10 0.93 0.00 0.00 0.00 179.25 179.37 1i17 h GLU 24 N -0.13 -0.27 -0.46 0.00 5.08 -2.00 -2.90 114.58 113.89 1i17 h GLU 24 Ca 0.25 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 1i17 h GLU 24 Cb 0.56 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1i17 h GLU 24 CO -0.77 -0.14 -0.13 0.78 -1.00 0.00 0.00 179.01 177.75 1i17 h GLY 25 N -0.32 0.94 0.66 -3.84 0.00 -1.65 -0.74 103.07 98.12 1i17 h GLY 25 Ca -0.03 -0.74 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1i17 h GLY 25 CO 0.05 0.68 -0.08 3.43 0.00 0.00 0.00 176.54 180.62 1i17 h ASN 26 N 0.77 -0.25 -0.23 0.19 2.35 -0.77 0.43 115.58 118.08 1i17 h ASN 26 Ca 0.12 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1i17 h ASN 26 Cb 0.65 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1i17 h ASN 26 CO 0.05 -0.11 0.10 0.03 -1.65 0.00 0.00 177.43 175.85 1i17 h ARG 27 N -0.09 0.33 0.24 0.81 3.08 -1.33 -1.39 114.38 116.03 1i17 h ARG 27 Ca 0.07 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1i17 h ARG 27 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1i17 h ARG 27 CO -0.16 0.37 -0.19 -0.92 -1.07 0.00 0.00 179.97 177.99 1i17 h TYR 28 N 0.22 -0.51 -0.02 3.04 3.20 -1.02 -2.74 116.97 119.14 1i17 h TYR 28 Ca 0.08 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1i17 h TYR 28 Cb 0.15 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1i17 h TYR 28 CO -0.02 -0.30 -0.10 -0.92 -1.64 0.00 0.00 178.16 175.19 1i17 h TYR 29 N -0.45 -0.26 -0.99 -3.82 3.20 -0.92 -0.87 116.97 112.86 1i17 h TYR 29 Ca -0.01 0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.11 1i17 h TYR 29 Cb 0.40 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 1i17 h TYR 29 CO -0.13 -0.16 0.65 0.00 -1.64 0.00 0.00 178.16 176.89 1i17 h ALA 30 N 0.82 2.28 0.00 1.82 0.00 -1.19 0.12 119.26 123.11 1i17 h ALA 30 Ca 0.05 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 1i17 h ALA 30 Cb 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1i17 h ALA 30 CO -0.12 -0.63 -1.40 0.00 0.00 0.00 0.00 179.25 177.10 1i17 h ALA 31 N 1.60 0.61 0.00 0.00 0.00 -1.23 -3.42 119.26 116.82 1i17 h ALA 31 Ca 0.54 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1i17 h ALA 31 Cb 1.41 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1i17 h ALA 31 CO -0.22 1.42 -0.01 0.09 0.00 0.00 0.00 179.25 180.53 1i17 n ASN 32 N -3.16 1.66 -0.33 0.00 3.02 -0.35 -4.87 115.26 111.23 1i17 n ASN 32 Ca -0.10 -1.92 0.29 0.00 -0.03 0.00 0.00 54.58 52.82 1i17 n ASN 32 Cb 1.00 -0.03 0.61 0.00 -0.61 0.00 0.00 39.78 40.74 1i17 n ASN 32 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1i17 h TYR 33 N 0.00 0.41 -0.99 3.10 -0.00 -1.04 -1.44 116.97 117.01 1i17 h TYR 33 Ca 0.00 0.01 0.26 0.00 -0.00 0.00 0.00 58.73 59.00 1i17 h TYR 33 Cb 0.63 -0.12 -0.07 0.00 -0.00 0.00 0.00 36.73 37.18 1i17 h TYR 33 CO 0.00 0.01 0.67 0.11 -0.00 0.00 0.00 178.16 178.95 1i17 h TRP 34 N 0.22 0.41 -0.28 0.10 5.08 -1.89 -2.10 115.95 117.50 1i17 h TRP 34 Ca 0.60 0.01 -0.15 0.00 1.08 0.00 0.00 58.89 60.43 1i17 h TRP 34 Cb 1.88 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.91 1i17 h TRP 34 CO -0.00 0.07 -0.45 1.96 -1.28 0.00 0.00 178.44 178.73 1i17 h GLN 35 N 0.27 0.72 -7.23 0.12 4.20 -1.67 -3.45 115.11 108.06 1i17 h GLN 35 Ca 0.52 -0.40 -0.50 0.00 0.06 0.00 0.00 58.65 58.33 1i17 h GLN 35 Cb 1.55 0.02 0.08 0.00 0.30 0.00 0.00 27.48 29.44 1i17 h GLN 35 CO -0.17 1.02 0.37 -0.06 -0.67 0.00 0.00 178.83 179.32 1i17 s PHE 36 N -4.22 2.88 0.03 2.96 0.40 -0.79 -5.03 117.98 114.21 1i17 s PHE 36 Ca -0.09 1.51 -0.30 0.00 -0.60 0.00 0.00 56.93 57.45 1i17 s PHE 36 Cb 0.11 -3.03 -0.05 0.00 0.51 0.00 0.00 43.02 40.56 1i17 s PHE 36 CO 0.85 -1.34 1.25 -1.25 0.70 0.00 0.00 175.22 175.43 1i17 s PRO 37 N -4.31 4.38 0.01 0.24 0.04 -1.26 -4.70 135.00 129.40 1i17 s PRO 37 Ca 0.63 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.52 1i17 s PRO 37 Cb -0.17 -3.43 -0.24 0.00 0.04 0.00 0.00 34.50 30.70 1i17 s PRO 37 CO 0.43 -0.37 0.87 -0.44 0.04 0.00 0.00 177.00 177.53 1i17 h ASP 38 N 7.13 0.17 -4.48 6.66 3.32 -1.63 -3.48 116.42 124.11 1i17 h ASP 38 Ca -0.39 -0.25 -0.39 0.00 0.02 0.00 0.00 57.03 56.02 1i17 h ASP 38 Cb 1.20 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.55 1i17 h ASP 38 CO 0.85 1.21 -0.59 -0.83 -1.72 0.00 0.00 179.24 178.16 1i17 s GLY 39 N -4.98 1.92 -0.05 2.75 0.00 -0.76 -5.03 107.32 101.17 1i17 s GLY 39 Ca -0.06 -1.79 -0.00 0.00 0.00 0.00 0.00 44.72 42.86 1i17 s GLY 39 CO 0.83 -1.61 -0.00 -0.42 0.00 0.00 0.00 173.10 171.90 1i17 s ILE 40 N -3.66 0.30 -0.61 0.90 1.01 -1.26 -0.60 121.20 117.28 1i17 s ILE 40 Ca 0.36 0.09 -0.27 0.00 0.00 0.00 0.00 60.65 60.84 1i17 s ILE 40 Cb 0.06 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1i17 s ILE 40 CO 0.15 0.21 1.67 -0.47 0.00 0.00 0.00 174.94 176.50 1i17 s TYR 41 N 1.51 1.89 -0.09 3.97 5.04 -0.19 -4.94 117.35 124.54 1i17 s TYR 41 Ca -0.02 0.56 -0.18 0.00 -2.44 0.00 0.00 57.07 54.98 1i17 s TYR 41 Cb -0.13 -4.25 0.04 0.00 0.35 0.00 0.00 41.96 37.97 1i17 s TYR 41 CO -0.03 -2.25 0.44 -0.47 -1.34 0.00 0.00 175.55 171.90 1i17 s TYR 42 N 7.79 -0.40 -0.50 4.97 5.04 -1.26 -0.23 117.35 132.75 1i17 s TYR 42 Ca 0.59 0.83 0.03 0.00 -2.44 0.00 0.00 57.07 56.08 1i17 s TYR 42 Cb -0.12 0.18 0.15 0.00 0.35 0.00 0.00 41.96 42.52 1i17 s TYR 42 CO 0.21 -0.37 0.31 -1.21 -1.34 0.00 0.00 175.55 173.15 1i17 s GLU 43 N -0.64 1.56 -0.57 4.97 2.02 -1.26 -4.99 118.70 119.79 1i17 s GLU 43 Ca -0.07 -2.37 0.01 0.00 0.02 0.00 0.00 54.97 52.56 1i17 s GLU 43 Cb -0.03 -2.55 0.49 0.00 0.10 0.00 0.00 34.13 32.14 1i17 s GLU 43 CO 0.04 -1.21 1.88 0.41 0.02 0.00 0.00 175.26 176.40 1i17 n GLY 44 N 3.07 5.67 2.77 -1.39 0.00 -1.26 -4.92 105.19 109.13 1i17 n GLY 44 Ca 0.13 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 1i17 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 n SER 46 N 5.14 0.01 -3.85 0.00 3.41 -1.26 -5.15 113.62 111.92 1i17 n SER 46 Ca -0.07 0.42 -0.09 0.00 -0.26 0.00 0.00 58.87 58.87 1i17 n SER 46 Cb 0.50 0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.66 1i17 n SER 46 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1i17 s GLU 47 N -2.00 0.81 0.65 4.33 -1.05 -1.26 -5.07 118.70 115.11 1i17 s GLU 47 Ca 0.00 -0.87 0.35 0.00 -0.15 0.00 0.00 54.97 54.30 1i17 s GLU 47 Cb 0.00 0.33 1.91 0.00 -0.44 0.00 0.00 34.13 35.93 1i17 s GLU 47 CO 0.00 -0.26 2.07 0.00 0.95 0.00 0.00 175.26 178.03 1i17 h ALA 48 N 2.90 1.19 -0.15 -0.84 0.00 -2.02 -0.68 119.26 119.67 1i17 h ALA 48 Ca -0.34 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1i17 h ALA 48 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1i17 h ALA 48 CO 0.54 -0.19 -0.01 -0.91 0.00 0.00 0.00 179.25 178.68 1i17 h ASN 49 N 0.00 0.19 -3.07 0.00 2.35 -1.97 -3.42 115.58 109.65 1i17 h ASN 49 Ca 0.00 -0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 55.20 1i17 h ASN 49 Cb 0.39 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 38.74 1i17 h ASN 49 CO 0.00 0.23 0.68 -0.69 -1.65 0.00 0.00 177.43 176.01 1i17 s VAL 50 N -4.99 3.46 0.43 2.81 1.01 -0.26 -5.05 120.40 117.80 1i17 s VAL 50 Ca -0.06 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.05 1i17 s VAL 50 Cb 0.16 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1i17 s VAL 50 CO 0.71 0.09 0.22 0.42 0.00 0.00 0.00 175.10 176.54 1i17 s THR 51 N 1.01 2.28 0.09 3.92 -4.23 -1.26 -4.95 115.64 112.50 1i17 s THR 51 Ca 0.63 -1.64 -0.28 0.00 -1.18 0.00 0.00 61.69 59.22 1i17 s THR 51 Cb -0.35 -2.91 -0.13 0.00 1.34 0.00 0.00 72.50 70.44 1i17 s THR 51 CO 0.31 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.53 1i17 h LYS 52 N 1.32 -0.53 -0.80 3.99 3.64 -1.96 -0.38 116.57 121.84 1i17 h LYS 52 Ca -0.42 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.12 1i17 h LYS 52 Cb 1.26 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 33.11 1i17 h LYS 52 CO 0.67 -0.35 0.40 1.05 -2.27 0.00 0.00 179.45 178.95 1i17 h GLU 53 N -0.55 0.60 -0.46 1.90 4.11 -1.99 -0.41 114.58 117.78 1i17 h GLU 53 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1i17 h GLU 53 Cb 0.49 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1i17 h GLU 53 CO -0.03 0.39 0.26 0.52 0.07 0.00 0.00 179.01 180.22 1i17 h MET 54 N 0.61 0.64 0.54 1.06 2.86 -1.92 -2.15 114.93 116.57 1i17 h MET 54 Ca 0.42 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1i17 h MET 54 Cb 0.55 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1i17 h MET 54 CO -0.33 0.50 -0.49 1.25 1.06 0.00 0.00 176.91 178.89 1i17 h LEU 55 N 0.61 -1.33 -0.41 1.22 6.46 -0.00 -0.41 115.31 121.45 1i17 h LEU 55 Ca 0.16 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 58.09 1i17 h LEU 55 Cb 0.04 0.43 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 1i17 h LEU 55 CO -0.03 -0.67 0.04 0.58 -0.62 0.00 0.00 178.44 177.75 1i17 h VAL 56 N -1.02 0.74 0.36 1.05 2.07 -1.12 0.43 116.25 118.76 1i17 h VAL 56 Ca -0.07 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1i17 h VAL 56 Cb 0.88 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1i17 h VAL 56 CO -0.03 0.03 -0.17 0.74 0.02 0.00 0.00 177.57 178.15 1i17 h THR 57 N 0.16 0.66 -0.66 2.57 2.02 -1.38 -1.82 112.91 114.46 1i17 h THR 57 Ca 0.20 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1i17 h THR 57 Cb 0.26 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1i17 h THR 57 CO -0.29 0.02 0.39 0.77 0.37 0.00 0.00 175.52 176.78 1i17 h SER 58 N -0.54 0.80 0.01 4.18 4.64 -0.85 -1.65 113.55 120.13 1i17 h SER 58 Ca -0.05 -0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1i17 h SER 58 Cb 0.41 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1i17 h SER 58 CO 0.08 0.62 -0.09 0.00 -0.87 0.00 0.00 176.83 176.57 1i17 h VAL 60 N -0.16 0.74 -0.61 0.00 2.07 -1.02 0.38 116.25 117.64 1i17 h VAL 60 Ca 0.03 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1i17 h VAL 60 Cb 0.20 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1i17 h VAL 60 CO -0.08 0.02 0.39 0.78 0.02 0.00 0.00 177.57 178.70 1i17 h ASN 61 N 0.09 0.67 -0.08 0.57 2.35 -1.11 -0.66 115.58 117.41 1i17 h ASN 61 Ca 0.17 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1i17 h ASN 61 Cb 0.23 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1i17 h ASN 61 CO -0.28 0.48 0.05 0.00 -1.65 0.00 0.00 177.43 176.02 1i17 h ALA 62 N 1.24 0.10 -0.33 -0.83 0.00 -0.53 -2.73 119.26 116.18 1i17 h ALA 62 Ca 0.23 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1i17 h ALA 62 Cb -0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1i17 h ALA 62 CO -0.07 -0.38 -0.10 1.15 0.00 0.00 0.00 179.25 179.85 1i17 h THR 63 N 0.06 0.63 -0.15 0.00 2.02 -0.67 -0.67 112.91 114.14 1i17 h THR 63 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1i17 h THR 63 Cb 0.05 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 1i17 h THR 63 CO -0.01 0.00 -0.51 1.56 0.37 0.00 0.00 175.52 176.93 1i17 h GLN 64 N -0.02 -0.51 -0.89 6.66 4.20 -1.10 -1.76 115.11 121.68 1i17 h GLN 64 Ca 0.16 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.95 1i17 h GLN 64 Cb 0.27 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 1i17 h GLN 64 CO -0.36 -0.34 0.59 0.00 -0.67 0.00 0.00 178.83 178.04 1i17 h ALA 65 N -0.36 1.45 -0.23 3.87 0.00 -1.16 -3.04 119.26 119.79 1i17 h ALA 65 Ca 0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1i17 h ALA 65 Cb 0.63 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1i17 h ALA 65 CO -0.42 0.46 -0.59 0.00 0.00 0.00 0.00 179.25 178.69 1i17 h ALA 66 N 1.48 0.51 -0.79 0.00 0.00 -0.95 -3.37 119.26 116.14 1i17 h ALA 66 Ca 0.36 -0.53 -0.56 0.00 0.00 0.00 0.00 54.91 54.17 1i17 h ALA 66 Cb 0.04 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.35 1i17 h ALA 66 CO -0.11 0.69 -0.63 0.09 0.00 0.00 0.00 179.25 179.28 1i17 n ASN 67 N -3.97 5.23 -0.13 0.00 3.02 -0.68 -4.87 115.26 113.87 1i17 n ASN 67 Ca -0.04 -3.75 -0.06 0.00 -0.03 0.00 0.00 54.58 50.69 1i17 n ASN 67 Cb 0.64 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1i17 n ASN 67 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1i17 h GLN 68 N 2.17 -0.17 -0.81 3.52 1.08 -1.71 -2.40 115.11 116.78 1i17 h GLN 68 Ca 0.40 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.73 1i17 h GLN 68 Cb 1.45 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 28.83 1i17 h GLN 68 CO 0.85 -0.11 0.41 0.00 -0.95 0.00 0.00 178.83 179.03 1i17 h ALA 69 N 1.01 1.18 0.82 3.87 0.00 -1.91 -1.86 119.26 122.36 1i17 h ALA 69 Ca 0.20 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1i17 h ALA 69 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1i17 h ALA 69 CO -0.52 -0.06 -0.43 0.93 0.00 0.00 0.00 179.25 179.17 1i17 h GLU 70 N 0.63 -1.11 -0.15 0.00 4.39 -1.84 -2.90 114.58 113.60 1i17 h GLU 70 Ca 0.42 0.08 0.04 0.00 0.34 0.00 0.00 59.36 60.24 1i17 h GLU 70 Cb 0.54 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1i17 h GLU 70 CO -0.33 -0.74 0.12 0.74 -1.16 0.00 0.00 179.01 177.64 1i17 h PHE 71 N -1.15 0.00 0.55 4.33 0.04 -1.26 -0.00 116.94 119.45 1i17 h PHE 71 Ca -0.11 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 1i17 h PHE 71 Cb 0.90 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.05 1i17 h PHE 71 CO -0.04 0.00 -0.26 0.77 -0.60 0.00 0.00 178.31 178.17 1i17 h SER 72 N 0.00 -0.63 0.70 2.17 0.02 -1.31 -3.37 113.55 111.14 1i17 h SER 72 Ca 0.07 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1i17 h SER 72 Cb 0.31 0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.01 1i17 h SER 72 CO -0.00 -0.37 -0.34 0.03 -1.14 0.00 0.00 176.83 175.01 1i17 h ARG 73 N -0.86 -0.91 -2.10 3.45 3.08 -1.19 -3.29 114.38 112.56 1i17 h ARG 73 Ca -0.08 0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1i17 h ARG 73 Cb 0.61 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1i17 h ARG 73 CO 0.12 -0.58 -0.05 0.39 -1.07 0.00 0.00 179.97 178.78 1i17 n GLU 74 N -5.43 0.99 0.17 0.04 -0.58 -0.07 -1.33 120.64 114.43 1i17 n GLU 74 Ca -0.13 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 1i17 n GLU 74 Cb 0.39 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1i17 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1i17 n LYS 75 N 2.01 0.00 0.11 3.49 4.81 -1.17 -3.75 118.16 123.66 1i17 n LYS 75 Ca 0.11 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.42 1i17 n LYS 75 Cb 0.47 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.44 1i17 n LYS 75 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1i17 h GLN 76 N 0.00 -0.27 -0.26 1.64 1.08 -1.59 -3.19 115.11 112.53 1i17 h GLN 76 Ca 0.00 0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 57.03 1i17 h GLN 76 Cb 0.00 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1i17 h GLN 76 CO 0.00 0.01 -0.57 0.22 -0.95 0.00 0.00 178.83 177.54 1i17 h ASP 77 N -0.55 0.91 -3.17 1.46 3.58 -1.48 -3.42 116.42 113.75 1i17 h ASP 77 Ca -0.03 -0.50 -0.59 0.00 0.42 0.00 0.00 57.03 56.34 1i17 h ASP 77 Cb 0.41 -0.26 -0.40 0.00 1.72 0.00 0.00 39.33 40.80 1i17 h ASP 77 CO 0.05 1.28 -0.76 -0.55 -2.88 0.00 0.00 179.24 176.38 1i17 s SER 78 N -6.96 3.89 0.14 2.28 0.15 -1.24 -5.00 113.70 106.96 1i17 s SER 78 Ca -0.10 -1.82 -0.18 0.00 0.70 0.00 0.00 55.95 54.55 1i17 s SER 78 Cb 0.10 -0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 63.54 1i17 s SER 78 CO 0.88 -0.39 1.78 0.50 1.20 0.00 0.00 173.24 177.22 1i17 h LYS 79 N 7.81 0.43 -0.41 5.44 3.64 -1.82 -3.07 116.57 128.60 1i17 h LYS 79 Ca -0.11 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1i17 h LYS 79 Cb 1.00 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.65 1i17 h LYS 79 CO 0.46 0.31 -0.06 1.25 -2.27 0.00 0.00 179.45 179.14 1i17 h LEU 80 N 0.43 -0.29 -0.52 5.20 7.12 -1.94 -3.26 115.31 122.05 1i17 h LEU 80 Ca 0.12 0.11 0.10 0.00 0.13 0.00 0.00 57.88 58.34 1i17 h LEU 80 Cb -0.02 0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 40.24 1i17 h LEU 80 CO -0.02 -0.10 0.01 -0.74 -0.13 0.00 0.00 178.44 177.45 1i17 h HIS 81 N 0.04 -0.02 -0.51 1.25 2.76 -1.83 -3.15 115.15 113.69 1i17 h HIS 81 Ca 0.20 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1i17 h HIS 81 Cb 0.30 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 1i17 h HIS 81 CO -0.32 -0.12 -0.52 1.96 -1.30 0.00 0.00 177.93 177.63 1i17 h GLN 82 N 0.12 -0.26 -0.27 5.26 1.08 -1.65 0.75 115.11 120.14 1i17 h GLN 82 Ca 0.26 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.55 1i17 h GLN 82 Cb 0.40 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.83 1i17 h GLN 82 CO -0.43 -0.18 -0.17 0.00 -0.95 0.00 0.00 178.83 177.10 1i17 h ARG 83 N -0.27 -0.14 0.41 1.46 3.08 -1.76 0.01 114.38 117.16 1i17 h ARG 83 Ca 0.09 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1i17 h ARG 83 Cb 0.50 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1i17 h ARG 83 CO -0.63 -0.10 -0.21 0.28 -1.07 0.00 0.00 179.97 178.25 1i17 h VAL 84 N -0.15 0.57 -0.05 2.04 2.07 -1.58 -2.15 116.25 117.00 1i17 h VAL 84 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1i17 h VAL 84 Cb 0.37 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1i17 h VAL 84 CO -0.36 0.00 -0.13 0.25 0.02 0.00 0.00 177.57 177.35 1i17 h LEU 85 N -0.57 -0.39 -0.67 2.57 5.85 -0.59 -0.73 115.31 120.78 1i17 h LEU 85 Ca -0.05 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1i17 h LEU 85 Cb 0.44 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1i17 h LEU 85 CO 0.08 -0.18 0.44 -0.50 -0.34 0.00 0.00 178.44 177.94 1i17 h TRP 86 N -0.19 0.82 -0.12 1.25 4.06 -1.03 0.28 115.95 121.02 1i17 h TRP 86 Ca 0.06 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.06 1i17 h TRP 86 Cb 0.28 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 1i17 h TRP 86 CO -0.21 0.50 -0.07 -0.09 -3.56 0.00 0.00 178.44 175.01 1i17 h ARG 87 N 0.88 -0.06 0.10 0.49 9.65 -1.14 -0.24 114.38 124.05 1i17 h ARG 87 Ca 0.26 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.15 1i17 h ARG 87 Cb -0.06 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1i17 h ARG 87 CO -0.07 -0.04 -0.17 1.25 2.80 0.00 0.00 179.97 183.74 1i17 h LEU 88 N -0.07 -0.46 -0.43 3.80 6.46 -0.77 0.33 115.31 124.17 1i17 h LEU 88 Ca 0.07 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.97 1i17 h LEU 88 Cb 0.17 0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 40.18 1i17 h LEU 88 CO -0.16 -0.24 -0.18 0.40 -0.62 0.00 0.00 178.44 177.64 1i17 h ILE 89 N -0.33 0.43 -0.37 4.05 2.04 -0.89 -1.25 117.51 121.19 1i17 h ILE 89 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1i17 h ILE 89 Cb 0.34 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1i17 h ILE 89 CO -0.09 0.00 0.23 0.50 0.00 0.00 0.00 178.15 178.80 1i17 h LYS 90 N -0.09 0.46 -0.31 2.37 3.64 -0.70 0.93 116.57 122.87 1i17 h LYS 90 Ca 0.21 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1i17 h LYS 90 Cb 0.42 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1i17 h LYS 90 CO -0.50 0.31 -0.12 0.93 -2.27 0.00 0.00 179.45 177.80 1i17 h GLU 91 N 0.48 -0.06 0.42 1.90 4.39 -0.51 0.17 114.58 121.37 1i17 h GLU 91 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1i17 h GLU 91 Cb -0.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1i17 h GLU 91 CO -0.05 -0.04 -0.32 0.82 -1.16 0.00 0.00 179.01 178.27 1i17 h ILE 92 N -0.06 0.34 -1.00 3.13 2.04 -0.98 -1.35 117.51 119.64 1i17 h ILE 92 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 1i17 h ILE 92 Cb 0.30 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1i17 h ILE 92 CO -0.35 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.44 1i17 h SER 94 N 1.17 1.08 -0.52 0.00 0.87 -0.60 -3.15 113.55 112.40 1i17 h SER 94 Ca 0.43 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1i17 h SER 94 Cb 0.16 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1i17 h SER 94 CO -0.17 1.00 0.34 0.00 -0.53 0.00 0.00 176.83 177.47 1i17 h ALA 95 N 1.12 1.72 -2.30 6.23 0.00 -0.67 -3.44 119.26 121.92 1i17 h ALA 95 Ca 0.24 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.54 1i17 h ALA 95 Cb 0.31 -0.17 0.06 0.00 0.00 0.00 0.00 17.79 17.99 1i17 h ALA 95 CO -0.01 0.23 0.80 1.63 0.00 0.00 0.00 179.25 181.90 1i17 n LYS 96 N -4.47 2.18 -4.19 0.00 5.02 -1.14 -5.03 118.16 110.54 1i17 n LYS 96 Ca 0.06 0.79 -0.16 0.00 -2.02 0.00 0.00 58.31 56.98 1i17 n LYS 96 Cb 0.12 -2.55 -0.11 0.00 -0.02 0.00 0.00 35.03 32.47 1i17 n LYS 96 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1i17 s HIS 97 N 0.87 1.16 -0.13 2.13 3.76 -1.26 -4.96 115.29 116.86 1i17 s HIS 97 Ca 0.78 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 55.07 1i17 s HIS 97 Cb -0.67 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.37 1i17 s HIS 97 CO 0.38 0.04 -0.07 0.00 -0.85 0.00 0.00 174.74 174.25 1i17 h ASP 99 N 6.30 0.98 0.47 0.00 3.58 -2.01 -2.83 116.42 122.91 1i17 h ASP 99 Ca -0.35 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1i17 h ASP 99 Cb 1.19 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1i17 h ASP 99 CO 0.58 0.66 0.00 2.22 -2.88 0.00 0.00 179.24 179.82 1i17 n PHE 100 N -4.46 0.22 -1.65 0.28 1.16 -1.26 -4.85 117.46 106.91 1i17 n PHE 100 Ca 0.13 0.09 -0.43 0.00 -1.87 0.00 0.00 57.45 55.37 1i17 n PHE 100 Cb 0.13 -0.65 -0.03 0.00 -1.61 0.00 0.00 39.48 37.32 1i17 n PHE 100 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 1i17 n TRP 101 N -1.71 2.41 -2.84 2.97 8.01 -1.07 -4.77 117.44 120.44 1i17 n TRP 101 Ca 0.02 -0.30 -0.33 0.00 -1.31 0.00 0.00 57.50 55.58 1i17 n TRP 101 Cb 0.16 -2.78 -0.06 0.00 -2.01 0.00 0.00 31.31 26.62 1i17 n TRP 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1i17 s LEU 102 N 5.07 3.92 -0.02 -0.99 1.43 -1.26 -5.03 118.68 121.79 1i17 s LEU 102 Ca 0.91 1.54 -0.22 0.00 -1.03 0.00 0.00 54.13 55.33 1i17 s LEU 102 Cb -0.45 -4.39 -0.15 0.00 0.03 0.00 0.00 46.19 41.23 1i17 s LEU 102 CO 0.42 -0.36 1.00 -0.33 0.23 0.00 0.00 176.35 177.32 1i17 h GLU 103 N 1.81 -0.33 0.00 1.70 5.08 -2.01 -3.46 114.58 117.37 1i17 h GLU 103 Ca -0.48 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1i17 h GLU 103 Cb 1.18 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1i17 h GLU 103 CO 0.62 0.03 0.00 0.54 -1.00 0.00 0.00 179.01 179.20 1i17 n ARG 104 N -5.04 0.00 -0.77 2.33 5.12 -1.26 -5.18 116.66 111.86 1i17 n ARG 104 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1i17 n ARG 104 Cb 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.56 1i17 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i17 n GLY 105 N 1.22 0.92 3.75 -0.13 0.00 -1.26 -5.17 105.19 104.52 1i17 n GLY 105 Ca 0.00 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1i17 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 s ALA 106 N -1.00 2.44 0.00 4.61 0.00 -1.26 -5.13 121.76 121.43 1i17 s ALA 106 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1i17 s ALA 106 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1i17 s ALA 106 CO 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 175.76 174.41