#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 3.01 -0.38 1.55 0.11 -1.26 -5.01 120.40 118.42 1i17 s VAL 2 Ca 0.00 0.97 -0.28 0.00 -2.93 0.00 0.00 61.98 59.74 1i17 s VAL 2 Cb 0.00 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.25 1i17 s VAL 2 CO 0.00 0.22 1.04 0.00 -3.33 0.00 0.00 175.10 173.03 1i17 s ALA 3 N -0.90 3.38 0.09 1.54 0.00 -1.26 -5.04 121.76 119.57 1i17 s ALA 3 Ca 0.49 -0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1i17 s ALA 3 Cb -0.37 -3.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.00 1i17 s ALA 3 CO 0.47 -1.72 1.32 -1.21 0.00 0.00 0.00 175.76 174.62 1i17 s GLU 4 N 3.79 4.36 -0.98 0.00 2.02 -1.26 -4.93 118.70 121.70 1i17 s GLU 4 Ca 0.43 1.96 -0.20 0.00 0.02 0.00 0.00 54.97 57.19 1i17 s GLU 4 Cb -0.11 -3.31 -0.10 0.00 0.10 0.00 0.00 34.13 30.71 1i17 s GLU 4 CO 0.21 -0.39 2.02 -1.71 0.02 0.00 0.00 175.26 175.41 1i17 n ASN 5 N 4.06 2.94 -4.82 -0.19 5.15 -1.26 -4.94 115.26 116.20 1i17 n ASN 5 Ca 0.11 -2.73 -0.33 0.00 -0.60 0.00 0.00 54.58 51.03 1i17 n ASN 5 Cb 0.44 -1.28 -0.05 0.00 -0.53 0.00 0.00 39.78 38.36 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 4.45 4.04 -0.02 1.20 1.70 -1.26 -4.97 118.95 124.09 1i17 s ARG 6 Ca 0.54 1.16 -0.30 0.00 -0.47 0.00 0.00 55.73 56.67 1i17 s ARG 6 Cb 0.14 -2.15 -0.08 0.00 -0.57 0.00 0.00 34.95 32.30 1i17 s ARG 6 CO 0.05 -0.20 1.95 -1.25 -1.08 0.00 0.00 175.30 174.77 1i17 s PRO 7 N -3.36 4.00 0.00 3.89 0.04 -1.26 -1.23 135.00 137.08 1i17 s PRO 7 Ca 0.63 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.11 1i17 s PRO 7 Cb -0.11 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1i17 s PRO 7 CO 0.18 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1i17 n GLY 8 N 4.65 1.14 3.72 0.56 0.00 0.35 -4.61 105.19 111.01 1i17 n GLY 8 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1i17 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 s ALA 9 N -2.02 3.84 0.66 4.61 0.00 -0.36 -4.32 121.76 124.16 1i17 s ALA 9 Ca 0.00 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.27 1i17 s ALA 9 Cb 0.00 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 1i17 s ALA 9 CO 0.00 -0.86 1.24 -0.06 0.00 0.00 0.00 175.76 176.08 1i17 s PHE 10 N 0.98 2.15 -0.21 0.00 0.08 -1.26 -0.91 117.98 118.80 1i17 s PHE 10 Ca 0.71 1.53 0.02 0.00 0.12 0.00 0.00 56.93 59.31 1i17 s PHE 10 Cb -0.47 -3.57 0.04 0.00 -0.57 0.00 0.00 43.02 38.46 1i17 s PHE 10 CO 0.34 -2.64 -0.15 0.42 -0.10 0.00 0.00 175.22 173.09 1i17 s ILE 11 N -1.65 1.98 -0.64 0.64 1.01 0.19 -4.76 121.20 117.98 1i17 s ILE 11 Ca 0.78 -1.18 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1i17 s ILE 11 Cb -0.33 -1.95 0.16 0.00 0.01 0.00 0.00 42.46 40.35 1i17 s ILE 11 CO 0.40 0.26 0.43 -0.54 0.00 0.00 0.00 174.94 175.49 1i17 s LYS 12 N 1.26 2.39 0.17 2.79 1.02 -1.26 -1.68 119.74 124.43 1i17 s LYS 12 Ca -0.01 -2.92 0.06 0.00 0.02 0.00 0.00 55.97 53.12 1i17 s LYS 12 Cb -0.16 -3.50 -0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1i17 s LYS 12 CO -0.09 -1.20 1.39 1.96 -0.92 0.00 0.00 175.35 176.50 1i17 h GLN 13 N 6.18 0.06 -1.88 1.68 4.20 -1.97 -3.49 115.11 119.89 1i17 h GLN 13 Ca 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1i17 h GLN 13 Cb 0.85 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1i17 h GLN 13 CO 0.72 0.89 0.00 0.41 -0.67 0.00 0.00 178.83 180.18 1i17 n GLY 14 N 0.92 0.71 2.86 3.46 0.00 -1.26 -5.10 105.19 106.78 1i17 n GLY 14 Ca -0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1i17 n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i17 s ARG 15 N -2.63 1.20 -0.48 1.61 3.52 -1.26 -5.07 118.95 115.85 1i17 s ARG 15 Ca 0.00 -0.97 -0.27 0.00 -0.13 0.00 0.00 55.73 54.35 1i17 s ARG 15 Cb 0.00 -2.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 1i17 s ARG 15 CO 0.00 -0.73 1.78 0.21 -0.81 0.00 0.00 175.30 175.75 1i17 s LYS 16 N 1.49 3.02 0.99 5.12 2.20 -1.26 -4.84 119.74 126.45 1i17 s LYS 16 Ca 0.00 0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 56.41 1i17 s LYS 16 Cb -0.18 -4.27 0.19 0.00 -1.51 0.00 0.00 37.83 32.05 1i17 s LYS 16 CO -0.11 -2.25 1.18 -0.51 -0.36 0.00 0.00 175.35 173.30 1i17 s LEU 17 N 7.77 1.90 -0.42 5.43 1.43 -1.26 -5.07 118.68 128.45 1i17 s LEU 17 Ca 0.71 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1i17 s LEU 17 Cb -0.16 -2.84 0.12 0.00 0.03 0.00 0.00 46.19 43.34 1i17 s LEU 17 CO 0.27 -2.94 0.19 -0.62 0.23 0.00 0.00 176.35 173.48 1i17 s ASP 18 N -4.22 4.06 -0.03 2.29 2.15 -1.26 -5.06 116.67 114.60 1i17 s ASP 18 Ca 0.68 -2.47 0.02 0.00 0.43 0.00 0.00 52.55 51.21 1i17 s ASP 18 Cb -0.11 -1.25 0.01 0.00 -0.30 0.00 0.00 42.92 41.27 1i17 s ASP 18 CO 0.54 -0.30 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.52 1i17 s ILE 19 N 0.51 0.74 -0.63 4.11 1.01 -1.26 -5.11 121.20 120.56 1i17 s ILE 19 Ca 0.15 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 1i17 s ILE 19 Cb -0.23 -0.67 0.05 0.00 0.01 0.00 0.00 42.46 41.62 1i17 s ILE 19 CO -0.05 0.24 1.04 -0.62 0.00 0.00 0.00 174.94 175.54 1i17 s ASP 20 N 0.34 6.25 0.08 3.58 2.15 -1.26 -4.85 116.67 122.96 1i17 s ASP 20 Ca -0.05 -0.58 0.05 0.00 0.43 0.00 0.00 52.55 52.40 1i17 s ASP 20 Cb -0.10 -2.46 -0.23 0.00 -0.30 0.00 0.00 42.92 39.83 1i17 s ASP 20 CO 0.01 -1.45 1.12 -0.26 -0.17 0.00 0.00 175.17 174.42 1i17 h PHE 21 N 9.57 0.13 0.00 -5.34 0.04 -1.97 -3.51 116.94 115.86 1i17 h PHE 21 Ca -0.27 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1i17 h PHE 21 Cb 1.07 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1i17 h PHE 21 CO 0.99 1.09 0.00 0.41 -0.60 0.00 0.00 178.31 180.19 1i17 n GLY 22 N 1.44 3.27 0.39 -1.45 0.00 -1.26 -4.80 105.19 102.79 1i17 n GLY 22 Ca -0.06 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.13 -0.31 4.61 0.00 -1.99 0.18 119.26 121.63 1i17 h ALA 23 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1i17 h ALA 23 Cb 0.00 1.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1i17 h ALA 23 CO 0.00 -0.75 0.19 1.49 0.00 0.00 0.00 179.25 180.18 1i17 h GLU 24 N -0.06 0.42 -0.47 0.00 4.81 -2.00 -2.73 114.58 114.55 1i17 h GLU 24 Ca 0.26 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.32 1i17 h GLU 24 Cb 0.54 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1i17 h GLU 24 CO -0.90 0.31 -0.23 0.78 -0.73 0.00 0.00 179.01 178.24 1i17 h GLY 25 N 0.40 1.07 0.53 1.92 0.00 -1.51 -2.21 103.07 103.27 1i17 h GLY 25 Ca 0.11 -0.96 0.05 0.00 0.00 0.00 0.00 47.33 46.53 1i17 h GLY 25 CO -0.02 0.88 -0.03 3.43 0.00 0.00 0.00 176.54 180.79 1i17 h ASN 26 N 0.83 -0.18 -0.41 0.19 2.35 -0.71 -0.16 115.58 117.50 1i17 h ASN 26 Ca 0.10 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1i17 h ASN 26 Cb 0.81 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 1i17 h ASN 26 CO 0.07 -0.05 0.26 0.03 -1.65 0.00 0.00 177.43 176.08 1i17 h ARG 27 N 0.04 0.55 0.32 0.81 3.08 -1.45 -1.24 114.38 116.50 1i17 h ARG 27 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1i17 h ARG 27 Cb 0.18 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1i17 h ARG 27 CO -0.24 0.39 -0.17 -0.92 -1.07 0.00 0.00 179.97 177.95 1i17 h TYR 28 N 0.55 -0.44 0.02 3.04 3.20 -1.08 -2.75 116.97 119.51 1i17 h TYR 28 Ca 0.15 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1i17 h TYR 28 Cb -0.03 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1i17 h TYR 28 CO -0.04 -0.27 -0.17 -0.92 -1.64 0.00 0.00 178.16 175.12 1i17 h TYR 29 N -0.46 -0.46 -0.97 -3.82 3.20 -1.01 -1.23 116.97 112.23 1i17 h TYR 29 Ca -0.04 0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.10 1i17 h TYR 29 Cb 0.36 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 1i17 h TYR 29 CO -0.07 -0.25 0.67 0.00 -1.64 0.00 0.00 178.16 176.87 1i17 h ALA 30 N 0.60 2.57 0.00 1.82 0.00 -1.18 0.89 119.26 123.95 1i17 h ALA 30 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1i17 h ALA 30 Cb 0.36 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1i17 h ALA 30 CO -0.15 -0.88 -1.51 0.00 0.00 0.00 0.00 179.25 176.71 1i17 h ALA 31 N 1.56 0.70 0.00 0.00 0.00 -1.22 -3.42 119.26 116.88 1i17 h ALA 31 Ca 0.49 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1i17 h ALA 31 Cb 1.59 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1i17 h ALA 31 CO -0.12 1.33 0.00 0.09 0.00 0.00 0.00 179.25 180.55 1i17 n ASN 32 N -3.04 1.50 -0.40 0.00 3.02 -0.49 -4.87 115.26 110.99 1i17 n ASN 32 Ca -0.12 -1.65 0.33 0.00 -0.03 0.00 0.00 54.58 53.11 1i17 n ASN 32 Cb 0.97 0.00 0.64 0.00 -0.61 0.00 0.00 39.78 40.78 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 0.40 -0.89 3.10 -0.00 -1.10 -1.66 116.97 116.83 1i17 h TYR 33 Ca 0.00 0.02 0.21 0.00 -0.00 0.00 0.00 58.73 58.95 1i17 h TYR 33 Cb 0.46 -0.11 -0.06 0.00 -0.00 0.00 0.00 36.73 37.01 1i17 h TYR 33 CO 0.00 -0.05 0.60 0.11 -0.00 0.00 0.00 178.16 178.81 1i17 h TRP 34 N 0.16 0.47 -0.38 0.10 5.08 -1.89 -2.29 115.95 117.20 1i17 h TRP 34 Ca 0.70 0.01 -0.10 0.00 1.08 0.00 0.00 58.89 60.59 1i17 h TRP 34 Cb 2.26 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 28.27 1i17 h TRP 34 CO -0.00 0.12 -0.13 1.96 -1.28 0.00 0.00 178.44 179.11 1i17 h GLN 35 N 0.35 0.77 -7.19 0.12 4.20 -1.72 -3.47 115.11 108.17 1i17 h GLN 35 Ca 0.46 -0.31 -0.51 0.00 0.06 0.00 0.00 58.65 58.35 1i17 h GLN 35 Cb 1.23 -0.03 0.10 0.00 0.30 0.00 0.00 27.48 29.07 1i17 h GLN 35 CO -0.16 0.92 0.38 -0.06 -0.67 0.00 0.00 178.83 179.25 1i17 s PHE 36 N -4.71 2.64 0.58 2.96 0.40 -0.86 -5.05 117.98 113.93 1i17 s PHE 36 Ca -0.12 1.55 -0.17 0.00 -0.60 0.00 0.00 56.93 57.58 1i17 s PHE 36 Cb 0.10 -3.17 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 1i17 s PHE 36 CO 0.82 -1.65 1.07 -1.25 0.70 0.00 0.00 175.22 174.91 1i17 s PRO 37 N -4.03 3.32 -0.04 0.24 0.04 -1.26 -4.87 135.00 128.40 1i17 s PRO 37 Ca 0.67 1.33 0.04 0.00 0.04 0.00 0.00 61.00 63.08 1i17 s PRO 37 Cb -0.21 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1i17 s PRO 37 CO 0.40 -0.82 0.02 -0.40 0.04 0.00 0.00 177.00 176.24 1i17 n ASP 38 N -1.78 3.87 -4.51 6.66 5.68 -0.75 -4.98 116.55 120.74 1i17 n ASP 38 Ca 0.10 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.14 1i17 n ASP 38 Cb 0.52 0.67 -0.11 0.00 -1.14 0.00 0.00 41.12 41.07 1i17 n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1i17 s GLY 39 N -3.47 2.12 -0.04 6.12 0.00 -0.68 -5.00 107.32 106.39 1i17 s GLY 39 Ca -0.02 -2.07 -0.01 0.00 0.00 0.00 0.00 44.72 42.62 1i17 s GLY 39 CO 0.19 -1.96 0.03 -0.42 0.00 0.00 0.00 173.10 170.94 1i17 s ILE 40 N -2.85 0.06 -0.23 0.90 1.01 -1.26 -0.64 121.20 118.19 1i17 s ILE 40 Ca 0.33 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.92 1i17 s ILE 40 Cb 0.05 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 1i17 s ILE 40 CO 0.15 0.16 1.34 -0.47 0.00 0.00 0.00 174.94 176.12 1i17 s TYR 41 N 1.53 2.64 0.07 3.97 5.04 -0.09 -4.94 117.35 125.56 1i17 s TYR 41 Ca -0.03 0.85 -0.17 0.00 -2.44 0.00 0.00 57.07 55.28 1i17 s TYR 41 Cb -0.13 -3.76 0.03 0.00 0.35 0.00 0.00 41.96 38.46 1i17 s TYR 41 CO -0.03 -1.97 0.40 -0.47 -1.34 0.00 0.00 175.55 172.13 1i17 s TYR 42 N 4.13 -0.23 -0.40 4.97 5.04 -1.26 -0.49 117.35 129.11 1i17 s TYR 42 Ca 0.58 0.10 0.03 0.00 -2.44 0.00 0.00 57.07 55.34 1i17 s TYR 42 Cb -0.20 0.21 0.11 0.00 0.35 0.00 0.00 41.96 42.43 1i17 s TYR 42 CO 0.21 -0.60 0.15 -1.21 -1.34 0.00 0.00 175.55 172.76 1i17 s GLU 43 N -2.86 1.38 -0.06 4.97 2.02 -1.26 -4.99 118.70 117.90 1i17 s GLU 43 Ca -0.03 -1.90 -0.07 0.00 0.02 0.00 0.00 54.97 52.99 1i17 s GLU 43 Cb 0.00 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 1i17 s GLU 43 CO -0.05 -1.04 -0.14 0.41 0.02 0.00 0.00 175.26 174.46 1i17 n GLY 44 N 3.96 -0.38 3.64 -1.39 0.00 -1.26 -4.98 105.19 104.78 1i17 n GLY 44 Ca 0.04 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 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 8.22 -0.35 -3.98 0.00 2.88 -1.26 -5.15 113.62 113.99 1i17 n SER 46 Ca 0.24 0.52 -0.08 0.00 -1.33 0.00 0.00 58.87 58.22 1i17 n SER 46 Cb 0.36 0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 64.29 1i17 n SER 46 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1i17 s GLU 47 N -1.98 0.60 0.49 -1.46 -1.05 -1.26 -5.07 118.70 108.97 1i17 s GLU 47 Ca 0.00 -0.91 0.26 0.00 -0.15 0.00 0.00 54.97 54.17 1i17 s GLU 47 Cb 0.00 0.22 1.33 0.00 -0.44 0.00 0.00 34.13 35.24 1i17 s GLU 47 CO 0.00 -0.14 1.89 0.00 0.95 0.00 0.00 175.26 177.96 1i17 h ALA 48 N 3.50 2.57 0.00 -0.84 0.00 -2.02 -1.38 119.26 121.09 1i17 h ALA 48 Ca -0.33 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1i17 h ALA 48 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1i17 h ALA 48 CO 0.55 -0.82 -0.20 -0.91 0.00 0.00 0.00 179.25 177.86 1i17 h ASN 49 N 0.15 0.00 -2.45 0.00 2.35 -1.97 -3.41 115.58 110.24 1i17 h ASN 49 Ca 0.42 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.59 1i17 h ASN 49 Cb 1.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.78 1i17 h ASN 49 CO -0.07 0.20 1.32 -0.69 -1.65 0.00 0.00 177.43 176.55 1i17 s VAL 50 N -4.52 3.33 0.80 2.81 1.01 -0.52 -5.02 120.40 118.29 1i17 s VAL 50 Ca -0.04 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1i17 s VAL 50 Cb 0.15 -3.41 0.13 0.00 0.00 0.00 0.00 36.38 33.25 1i17 s VAL 50 CO 0.69 -0.24 1.12 0.42 0.00 0.00 0.00 175.10 177.10 1i17 s THR 51 N 6.95 2.13 0.08 3.92 -4.23 -1.26 -4.90 115.64 118.33 1i17 s THR 51 Ca 0.86 -0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 60.87 1i17 s THR 51 Cb -0.27 -2.88 -0.16 0.00 1.34 0.00 0.00 72.50 70.53 1i17 s THR 51 CO 0.34 0.00 1.69 0.50 -0.54 0.00 0.00 174.62 176.61 1i17 h LYS 52 N -0.97 -0.15 -0.61 3.99 3.64 -1.95 -1.01 116.57 119.52 1i17 h LYS 52 Ca -0.42 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.09 1i17 h LYS 52 Cb 1.28 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 33.01 1i17 h LYS 52 CO 0.47 -0.07 -0.17 0.93 -2.27 0.00 0.00 179.45 178.34 1i17 h GLU 53 N -0.18 -0.01 0.57 1.90 3.07 -1.99 -0.12 114.58 117.81 1i17 h GLU 53 Ca -0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1i17 h GLU 53 Cb 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1i17 h GLU 53 CO 0.03 -0.01 -0.45 0.52 -1.40 0.00 0.00 179.01 177.70 1i17 h MET 54 N -0.01 -0.96 0.18 2.33 2.86 -1.93 -2.66 114.93 114.74 1i17 h MET 54 Ca 0.29 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 58.01 1i17 h MET 54 Cb 0.46 0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1i17 h MET 54 CO -0.64 -0.64 -0.23 1.25 1.06 0.00 0.00 176.91 177.71 1i17 h LEU 55 N -1.00 -0.64 -0.31 1.22 6.46 -0.33 -0.34 115.31 120.38 1i17 h LEU 55 Ca -0.07 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1i17 h LEU 55 Cb 0.84 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.96 1i17 h LEU 55 CO 0.00 -0.33 0.07 0.58 -0.62 0.00 0.00 178.44 178.15 1i17 h VAL 56 N -0.47 0.87 0.15 1.05 2.07 -1.16 0.60 116.25 119.36 1i17 h VAL 56 Ca 0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1i17 h VAL 56 Cb 0.46 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1i17 h VAL 56 CO -0.09 0.03 -0.07 0.74 0.02 0.00 0.00 177.57 178.20 1i17 h THR 57 N 0.19 0.86 -0.63 2.57 2.02 -1.30 -2.04 112.91 114.57 1i17 h THR 57 Ca 0.14 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1i17 h THR 57 Cb 0.15 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1i17 h THR 57 CO -0.18 0.00 0.40 0.28 0.37 0.00 0.00 175.52 176.40 1i17 h SER 58 N -0.20 0.73 -0.03 4.18 0.02 -0.86 -1.28 113.55 116.11 1i17 h SER 58 Ca -0.02 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1i17 h SER 58 Cb 0.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1i17 h SER 58 CO 0.03 0.54 -0.02 0.00 -1.14 0.00 0.00 176.83 176.24 1i17 h VAL 60 N -0.03 0.77 -0.62 0.00 2.07 -1.02 -0.13 116.25 117.30 1i17 h VAL 60 Ca 0.02 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1i17 h VAL 60 Cb 0.05 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1i17 h VAL 60 CO -0.04 0.01 0.40 0.78 0.02 0.00 0.00 177.57 178.73 1i17 h ASN 61 N 0.07 0.67 -0.22 0.57 2.35 -1.08 -0.75 115.58 117.17 1i17 h ASN 61 Ca 0.14 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1i17 h ASN 61 Cb 0.19 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1i17 h ASN 61 CO -0.25 0.47 0.13 0.00 -1.65 0.00 0.00 177.43 176.13 1i17 h ALA 62 N 1.25 0.29 -0.33 -0.83 0.00 -0.46 -1.30 119.26 117.87 1i17 h ALA 62 Ca 0.24 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1i17 h ALA 62 Cb -0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1i17 h ALA 62 CO -0.08 -0.18 0.01 1.15 0.00 0.00 0.00 179.25 180.15 1i17 h THR 63 N 0.26 0.76 0.10 0.00 2.02 -0.78 0.10 112.91 115.37 1i17 h THR 63 Ca 0.08 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1i17 h THR 63 Cb 0.06 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1i17 h THR 63 CO -0.01 0.02 -0.31 1.56 0.37 0.00 0.00 175.52 177.14 1i17 h GLN 64 N 0.10 -0.45 -0.77 6.66 4.20 -1.05 -2.65 115.11 121.15 1i17 h GLN 64 Ca 0.16 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.04 1i17 h GLN 64 Cb 0.21 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 1i17 h GLN 64 CO -0.26 -0.30 0.33 0.00 -0.67 0.00 0.00 178.83 177.92 1i17 h ALA 65 N -0.99 1.10 0.00 3.87 0.00 -0.98 -1.61 119.26 120.66 1i17 h ALA 65 Ca -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1i17 h ALA 65 Cb 0.46 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1i17 h ALA 65 CO -0.16 -0.19 -0.30 0.00 0.00 0.00 0.00 179.25 178.61 1i17 h ALA 66 N 1.55 1.37 -0.46 0.00 0.00 -0.98 -3.36 119.26 117.39 1i17 h ALA 66 Ca 0.42 -0.27 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 1i17 h ALA 66 Cb 0.63 -0.05 -0.38 0.00 0.00 0.00 0.00 17.79 17.99 1i17 h ALA 66 CO -0.40 0.37 -0.97 0.09 0.00 0.00 0.00 179.25 178.34 1i17 n ASN 67 N -3.99 2.62 0.03 0.00 3.02 -0.67 -4.92 115.26 111.35 1i17 n ASN 67 Ca -0.02 -2.71 -0.10 0.00 -0.03 0.00 0.00 54.58 51.72 1i17 n ASN 67 Cb 0.36 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 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 2.20 -0.27 -0.42 3.52 1.08 -1.53 -2.62 115.11 117.07 1i17 h GLN 68 Ca 0.03 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1i17 h GLN 68 Cb 1.40 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.86 1i17 h GLN 68 CO 0.35 -0.18 0.21 0.00 -0.95 0.00 0.00 178.83 178.26 1i17 h ALA 69 N 0.68 0.52 -0.39 3.87 0.00 -1.92 -0.42 119.26 121.58 1i17 h ALA 69 Ca 0.08 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1i17 h ALA 69 Cb 0.39 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1i17 h ALA 69 CO -0.24 -0.15 0.03 0.93 0.00 0.00 0.00 179.25 179.83 1i17 h GLU 70 N 0.42 0.14 0.72 0.00 4.39 -1.89 -1.74 114.58 116.63 1i17 h GLU 70 Ca 0.18 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 1i17 h GLU 70 Cb 0.08 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1i17 h GLU 70 CO -0.12 0.09 -0.35 0.74 -1.16 0.00 0.00 179.01 178.21 1i17 h PHE 71 N 0.15 -0.90 -0.55 4.33 0.04 -1.41 -3.34 116.94 115.26 1i17 h PHE 71 Ca 0.19 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.04 1i17 h PHE 71 Cb 0.26 0.30 -0.08 0.00 2.20 0.00 0.00 35.95 38.62 1i17 h PHE 71 CO -0.24 -0.56 0.08 0.77 -0.60 0.00 0.00 178.31 177.76 1i17 h SER 72 N -1.15 -0.07 -0.23 2.17 0.02 -0.82 0.09 113.55 113.57 1i17 h SER 72 Ca -0.10 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1i17 h SER 72 Cb 0.74 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1i17 h SER 72 CO 0.16 -0.01 0.14 0.03 -1.14 0.00 0.00 176.83 176.01 1i17 h ARG 73 N 0.21 0.31 -0.15 3.45 2.47 -1.50 -3.18 114.38 115.98 1i17 h ARG 73 Ca 0.28 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.93 1i17 h ARG 73 Cb 0.41 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1i17 h ARG 73 CO -0.39 0.25 -0.08 0.93 0.56 0.00 0.00 179.97 181.23 1i17 h GLU 74 N 0.29 0.33 -1.40 0.04 5.08 -1.59 -3.35 114.58 113.97 1i17 h GLU 74 Ca 0.08 -0.15 0.41 0.00 -1.00 0.00 0.00 59.36 58.70 1i17 h GLU 74 Cb 0.01 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 1i17 h GLU 74 CO -0.02 0.66 0.98 -0.22 -1.00 0.00 0.00 179.01 179.41 1i17 h LYS 75 N -0.00 0.05 -0.92 2.33 3.64 -0.96 0.87 116.57 121.58 1i17 h LYS 75 Ca 0.03 -0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.62 1i17 h LYS 75 Cb 0.56 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 1i17 h LYS 75 CO 0.02 0.04 0.61 1.96 -2.27 0.00 0.00 179.45 179.81 1i17 h GLN 76 N 0.06 0.40 0.00 1.90 1.08 -1.70 -3.38 115.11 113.46 1i17 h GLN 76 Ca 0.70 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.88 1i17 h GLN 76 Cb 2.62 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.96 1i17 h GLN 76 CO -0.10 0.26 -0.16 -3.47 -0.95 0.00 0.00 178.83 174.42 1i17 n ASP 77 N -4.52 0.71 -2.51 1.46 2.03 -0.46 -4.97 116.55 108.29 1i17 n ASP 77 Ca 0.20 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.32 1i17 n ASP 77 Cb 0.71 0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 41.04 1i17 n ASP 77 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1i17 n SER 78 N -1.37 5.70 0.03 1.67 2.88 0.18 -4.73 113.62 117.98 1i17 n SER 78 Ca 0.00 -2.41 -0.10 0.00 -1.33 0.00 0.00 58.87 55.03 1i17 n SER 78 Cb 0.08 -1.31 -0.04 0.00 -0.75 0.00 0.00 64.21 62.19 1i17 n SER 78 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1i17 h LYS 79 N 4.12 -0.15 -0.53 -1.46 1.63 -1.84 -1.43 116.57 116.91 1i17 h LYS 79 Ca 0.39 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.24 1i17 h LYS 79 Cb 0.93 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.55 1i17 h LYS 79 CO 0.79 -0.10 0.28 1.25 -3.45 0.00 0.00 179.45 178.22 1i17 h LEU 80 N -0.16 0.42 0.14 5.20 5.85 -2.00 -1.81 115.31 122.95 1i17 h LEU 80 Ca 0.05 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1i17 h LEU 80 Cb 0.23 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1i17 h LEU 80 CO -0.14 0.29 -0.20 -0.74 -0.34 0.00 0.00 178.44 177.31 1i17 h HIS 81 N 0.55 -0.53 -0.26 1.25 2.76 -1.84 -2.35 115.15 114.72 1i17 h HIS 81 Ca 0.23 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 1i17 h HIS 81 Cb 0.12 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 29.22 1i17 h HIS 81 CO -0.09 -0.29 -0.40 1.96 -1.30 0.00 0.00 177.93 177.81 1i17 h GLN 82 N -0.40 -0.38 -0.29 5.26 1.08 -1.06 0.79 115.11 120.11 1i17 h GLN 82 Ca 0.02 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1i17 h GLN 82 Cb 0.40 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.84 1i17 h GLN 82 CO -0.09 -0.25 -0.43 0.00 -0.95 0.00 0.00 178.83 177.10 1i17 h ARG 83 N -0.39 -0.39 0.14 1.46 3.08 -1.22 -0.40 114.38 116.66 1i17 h ARG 83 Ca 0.11 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1i17 h ARG 83 Cb 0.59 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1i17 h ARG 83 CO -0.47 -0.26 -0.07 0.28 -1.07 0.00 0.00 179.97 178.38 1i17 h VAL 84 N -0.40 0.91 -0.41 2.04 2.07 -1.25 -2.93 116.25 116.28 1i17 h VAL 84 Ca 0.11 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1i17 h VAL 84 Cb 0.60 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1i17 h VAL 84 CO -0.50 0.04 0.12 0.25 0.02 0.00 0.00 177.57 177.50 1i17 h LEU 85 N -0.27 0.09 -0.58 2.57 5.85 -0.61 -1.44 115.31 120.92 1i17 h LEU 85 Ca -0.02 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1i17 h LEU 85 Cb 0.22 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1i17 h LEU 85 CO 0.03 0.09 0.29 -0.50 -0.34 0.00 0.00 178.44 178.00 1i17 h TRP 86 N 0.26 0.82 -0.48 1.25 4.06 -1.11 -0.00 115.95 120.75 1i17 h TRP 86 Ca 0.19 -0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.17 1i17 h TRP 86 Cb 0.21 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.05 1i17 h TRP 86 CO -0.17 0.62 0.17 -0.09 -3.56 0.00 0.00 178.44 175.40 1i17 h ARG 87 N 0.78 0.33 0.51 0.49 9.65 -1.30 -0.29 114.38 124.55 1i17 h ARG 87 Ca 0.20 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.04 1i17 h ARG 87 Cb 0.10 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1i17 h ARG 87 CO -0.03 0.22 -0.37 1.25 2.80 0.00 0.00 179.97 183.84 1i17 h LEU 88 N 0.34 -0.95 -0.50 3.80 6.46 -0.91 -1.33 115.31 122.21 1i17 h LEU 88 Ca 0.23 0.07 0.10 0.00 -0.12 0.00 0.00 57.88 58.15 1i17 h LEU 88 Cb 0.24 0.30 -0.09 0.00 -0.73 0.00 0.00 40.66 40.37 1i17 h LEU 88 CO -0.23 -0.55 -0.05 0.40 -0.62 0.00 0.00 178.44 177.38 1i17 h ILE 89 N -0.85 0.56 -0.46 4.05 2.04 -0.89 -1.42 117.51 120.53 1i17 h ILE 89 Ca -0.06 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1i17 h ILE 89 Cb 0.72 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1i17 h ILE 89 CO 0.02 0.01 0.25 0.50 0.00 0.00 0.00 178.15 178.94 1i17 h LYS 90 N 0.06 0.49 -0.40 2.37 1.63 -0.95 0.36 116.57 120.13 1i17 h LYS 90 Ca 0.25 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.07 1i17 h LYS 90 Cb 0.38 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1i17 h LYS 90 CO -0.46 0.32 0.15 0.93 -3.45 0.00 0.00 179.45 176.94 1i17 h GLU 91 N 0.51 0.30 0.15 1.90 4.39 -0.67 0.14 114.58 121.30 1i17 h GLU 91 Ca 0.19 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1i17 h GLU 91 Cb 0.06 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1i17 h GLU 91 CO -0.11 0.20 -0.24 0.82 -1.16 0.00 0.00 179.01 178.52 1i17 h ILE 92 N 0.31 0.48 -0.42 3.13 2.04 -0.91 -2.46 117.51 119.67 1i17 h ILE 92 Ca 0.18 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 1i17 h ILE 92 Cb 0.16 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1i17 h ILE 92 CO -0.18 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.19 1i17 h SER 94 N 0.45 0.67 0.06 0.00 0.87 -0.63 -2.14 113.55 112.82 1i17 h SER 94 Ca 0.17 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1i17 h SER 94 Cb 0.06 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1i17 h SER 94 CO -0.11 0.29 -0.03 0.00 -0.53 0.00 0.00 176.83 176.45 1i17 h ALA 95 N 1.57 1.65 -1.73 6.23 0.00 -1.17 -3.42 119.26 122.39 1i17 h ALA 95 Ca 0.49 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.83 1i17 h ALA 95 Cb 0.66 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1i17 h ALA 95 CO -0.34 0.04 1.29 0.15 0.00 0.00 0.00 179.25 180.39 1i17 s LYS 96 N -4.71 3.09 0.09 0.00 1.02 -0.80 -4.99 119.74 113.43 1i17 s LYS 96 Ca -0.05 1.10 0.09 0.00 0.02 0.00 0.00 55.97 57.13 1i17 s LYS 96 Cb 0.15 -4.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.18 1i17 s LYS 96 CO 0.60 -2.16 -0.22 -3.38 -0.92 0.00 0.00 175.35 169.26 1i17 s HIS 97 N 7.63 1.93 -0.09 3.18 -3.43 -1.26 -4.85 115.29 118.41 1i17 s HIS 97 Ca 0.74 -0.40 0.02 0.00 -0.80 0.00 0.00 55.06 54.62 1i17 s HIS 97 Cb -0.18 -1.08 -0.02 0.00 -1.43 0.00 0.00 32.58 29.86 1i17 s HIS 97 CO 0.29 0.20 -0.13 0.00 -2.00 0.00 0.00 174.74 173.10 1i17 h ASP 99 N 5.97 0.99 0.51 0.00 3.58 -2.02 -3.08 116.42 122.37 1i17 h ASP 99 Ca -0.37 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1i17 h ASP 99 Cb 1.18 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1i17 h ASP 99 CO 0.53 0.70 0.00 2.19 -2.88 0.00 0.00 179.24 179.78 1i17 h PHE 100 N 1.16 0.00 -2.45 0.28 -5.15 -2.00 -3.46 116.94 105.32 1i17 h PHE 100 Ca 0.33 0.00 -0.55 0.00 -0.20 0.00 0.00 57.97 57.55 1i17 h PHE 100 Cb -0.08 0.00 0.06 0.00 0.22 0.00 0.00 35.95 36.14 1i17 h PHE 100 CO -0.00 0.00 0.94 0.91 -2.00 0.00 0.00 178.31 178.16 1i17 n TRP 101 N -2.33 2.53 -4.12 6.09 8.01 -1.17 -4.90 117.44 121.55 1i17 n TRP 101 Ca 0.01 0.11 -0.16 0.00 -1.31 0.00 0.00 57.50 56.15 1i17 n TRP 101 Cb 0.17 -2.63 -0.04 0.00 -2.01 0.00 0.00 31.31 26.80 1i17 n TRP 101 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.69 176.20 1i17 s LEU 102 N 1.35 1.14 0.02 -0.99 2.34 -1.26 -5.12 118.68 116.15 1i17 s LEU 102 Ca 0.78 -1.55 -0.30 0.00 0.06 0.00 0.00 54.13 53.12 1i17 s LEU 102 Cb -0.58 1.36 -0.08 0.00 -0.56 0.00 0.00 46.19 46.33 1i17 s LEU 102 CO 0.36 -1.28 1.81 -0.70 -1.06 0.00 0.00 176.35 175.48 1i17 s GLU 103 N -3.04 4.16 0.06 1.48 2.12 -1.26 -5.01 118.70 117.21 1i17 s GLU 103 Ca 0.32 2.43 0.03 0.00 0.36 0.00 0.00 54.97 58.11 1i17 s GLU 103 Cb -0.00 -3.98 -0.03 0.00 0.26 0.00 0.00 34.13 30.38 1i17 s GLU 103 CO 0.22 -0.88 -0.09 1.03 -0.54 0.00 0.00 175.26 175.00 1i17 s ARG 104 N 3.94 0.65 0.00 4.30 1.81 -1.26 -5.16 118.95 123.23 1i17 s ARG 104 Ca 0.81 -0.91 0.00 0.00 -1.72 0.00 0.00 55.73 53.91 1i17 s ARG 104 Cb -0.39 -0.40 0.00 0.00 -0.45 0.00 0.00 34.95 33.71 1i17 s ARG 104 CO 0.36 0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.46 1i17 n GLY 105 N 1.13 -1.17 3.29 -3.53 0.00 -1.26 -5.20 105.19 98.46 1i17 n GLY 105 Ca -0.20 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.67 -0.07 0.00 4.61 0.00 -1.26 -5.22 121.76 118.15 1i17 s ALA 106 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1i17 s ALA 106 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1i17 s ALA 106 CO 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 175.76 175.16