#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 2.27 0.21 5.15 1.01 -1.26 -4.95 120.40 122.82 1i17 s VAL 2 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1i17 s VAL 2 Cb 0.00 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1i17 s VAL 2 CO 0.00 0.05 1.34 0.00 0.00 0.00 0.00 175.10 176.48 1i17 s ALA 3 N -0.42 3.55 0.14 5.51 0.00 -1.26 -5.01 121.76 124.27 1i17 s ALA 3 Ca 0.58 1.15 -0.31 0.00 0.00 0.00 0.00 51.96 53.38 1i17 s ALA 3 Cb -0.45 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.09 1i17 s ALA 3 CO 0.51 -0.58 1.41 -1.21 0.00 0.00 0.00 175.76 175.90 1i17 s GLU 4 N -0.15 4.31 -1.18 0.00 0.41 -1.26 -4.92 118.70 115.91 1i17 s GLU 4 Ca 0.57 2.14 -0.22 0.00 -0.41 0.00 0.00 54.97 57.05 1i17 s GLU 4 Cb -0.38 -3.21 -0.07 0.00 -1.78 0.00 0.00 34.13 28.69 1i17 s GLU 4 CO 0.39 -0.44 1.92 -0.80 -0.49 0.00 0.00 175.26 175.84 1i17 s ASN 5 N 0.96 5.16 0.09 -0.19 -0.87 -1.26 -4.60 114.94 114.24 1i17 s ASN 5 Ca 0.64 -1.67 0.01 0.00 -1.57 0.00 0.00 52.86 50.28 1i17 s ASN 5 Cb -0.38 -2.59 -0.04 0.00 -0.02 0.00 0.00 41.25 38.22 1i17 s ASN 5 CO 0.32 -2.93 -0.06 0.00 -2.57 0.00 0.00 177.10 171.86 1i17 s ARG 6 N 6.34 0.82 -0.26 -0.60 1.70 -1.26 -5.06 118.95 120.62 1i17 s ARG 6 Ca 0.67 -1.33 -0.41 0.00 -0.47 0.00 0.00 55.73 54.20 1i17 s ARG 6 Cb -0.01 -0.16 -0.16 0.00 -0.57 0.00 0.00 34.95 34.05 1i17 s ARG 6 CO 0.12 -0.03 1.67 -2.30 -1.08 0.00 0.00 175.30 173.68 1i17 n PRO 7 N -0.03 0.99 0.00 3.89 -0.02 -1.26 -1.34 135.00 137.23 1i17 n PRO 7 Ca -0.12 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1i17 n PRO 7 Cb 0.61 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1i17 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i17 n GLY 8 N 3.94 2.62 3.71 -1.23 0.00 0.50 -4.57 105.19 110.17 1i17 n GLY 8 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.68 2.34 -1.72 4.61 0.00 -0.45 -4.25 120.51 120.37 1i17 n ALA 9 Ca 0.00 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 1i17 n ALA 9 Cb 0.00 -2.45 0.01 0.00 0.00 0.00 0.00 19.45 17.01 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 3.06 2.29 -4.07 0.00 3.72 -1.26 -1.01 117.46 120.18 1i17 n PHE 10 Ca 0.13 0.49 -0.30 0.00 -0.05 0.00 0.00 57.45 57.72 1i17 n PHE 10 Cb 0.34 -2.40 -0.16 0.00 -0.94 0.00 0.00 39.48 36.31 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 -1.19 1.64 -0.64 4.37 1.01 -0.00 -4.81 121.20 121.58 1i17 s ILE 11 Ca 0.60 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1i17 s ILE 11 Cb -0.50 -1.52 0.16 0.00 0.01 0.00 0.00 42.46 40.60 1i17 s ILE 11 CO 0.58 0.47 0.41 -0.54 0.00 0.00 0.00 174.94 175.87 1i17 s LYS 12 N 1.42 2.28 0.06 2.79 1.02 -1.26 -1.63 119.74 124.41 1i17 s LYS 12 Ca 0.04 -3.08 -0.15 0.00 0.02 0.00 0.00 55.97 52.80 1i17 s LYS 12 Cb -0.13 -3.37 -0.28 0.00 -0.52 0.00 0.00 37.83 33.54 1i17 s LYS 12 CO -0.10 -1.23 1.12 1.96 -0.92 0.00 0.00 175.35 176.18 1i17 h GLN 13 N 5.79 0.65 0.00 1.68 1.08 -1.96 -3.50 115.11 118.84 1i17 h GLN 13 Ca 0.07 -0.81 0.00 0.00 -1.45 0.00 0.00 58.65 56.45 1i17 h GLN 13 Cb 0.80 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1i17 h GLN 13 CO 0.70 1.37 0.00 0.41 -0.95 0.00 0.00 178.83 180.36 1i17 n GLY 14 N 1.31 0.79 2.78 3.46 0.00 -1.26 -5.14 105.19 107.12 1i17 n GLY 14 Ca -0.13 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.64 0.65 0.18 1.61 3.52 -1.26 -5.09 118.95 116.91 1i17 s ARG 15 Ca 0.00 0.09 -0.28 0.00 -0.13 0.00 0.00 55.73 55.41 1i17 s ARG 15 Cb 0.00 -0.98 -0.08 0.00 -1.56 0.00 0.00 34.95 32.33 1i17 s ARG 15 CO 0.00 -0.29 0.86 0.21 -0.81 0.00 0.00 175.30 175.27 1i17 s LYS 16 N 1.90 4.69 -0.02 5.12 2.20 -1.26 -4.77 119.74 127.60 1i17 s LYS 16 Ca 0.04 1.32 0.07 0.00 -0.36 0.00 0.00 55.97 57.03 1i17 s LYS 16 Cb -0.12 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1i17 s LYS 16 CO -0.05 0.48 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.69 1i17 s LEU 17 N -0.91 2.04 -0.96 5.43 1.43 -1.26 -5.09 118.68 119.36 1i17 s LEU 17 Ca 0.39 -0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 1i17 s LEU 17 Cb -0.24 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 44.89 1i17 s LEU 17 CO 0.29 0.27 1.47 1.51 0.23 0.00 0.00 176.35 180.11 1i17 s ASP 18 N -0.50 6.32 -0.05 2.29 -4.77 -1.26 -4.97 116.67 113.73 1i17 s ASP 18 Ca 0.08 -1.20 0.01 0.00 -3.30 0.00 0.00 52.55 48.13 1i17 s ASP 18 Cb -0.09 -2.57 0.02 0.00 -1.09 0.00 0.00 42.92 39.20 1i17 s ASP 18 CO -0.01 -1.67 -0.04 -0.63 0.70 0.00 0.00 175.17 173.52 1i17 s ILE 19 N 5.58 0.52 -0.98 2.11 1.01 -1.26 -5.10 121.20 123.07 1i17 s ILE 19 Ca 0.47 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.87 1i17 s ILE 19 Cb -0.02 -0.56 0.17 0.00 0.01 0.00 0.00 42.46 42.06 1i17 s ILE 19 CO -0.05 0.23 1.11 -0.62 0.00 0.00 0.00 174.94 175.61 1i17 s ASP 20 N 1.09 6.82 0.16 3.58 2.15 -1.26 -4.86 116.67 124.36 1i17 s ASP 20 Ca -0.08 -2.54 -0.12 0.00 0.43 0.00 0.00 52.55 50.24 1i17 s ASP 20 Cb -0.14 -2.34 0.05 0.00 -0.30 0.00 0.00 42.92 40.19 1i17 s ASP 20 CO -0.01 -0.81 1.67 -0.26 -0.17 0.00 0.00 175.17 175.58 1i17 h PHE 21 N 8.04 0.95 0.00 -5.34 0.04 -1.98 -3.50 116.94 115.15 1i17 h PHE 21 Ca 0.18 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1i17 h PHE 21 Cb 0.98 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.87 1i17 h PHE 21 CO 1.09 0.82 0.00 0.41 -0.60 0.00 0.00 178.31 180.03 1i17 n GLY 22 N -0.61 3.98 0.42 -1.45 0.00 -1.26 -4.88 105.19 101.39 1i17 n GLY 22 Ca 0.02 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.45 -0.42 4.61 0.00 -1.99 0.19 119.26 121.21 1i17 h ALA 23 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1i17 h ALA 23 Cb 0.00 1.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1i17 h ALA 23 CO 0.00 -0.92 -0.23 1.49 0.00 0.00 0.00 179.25 179.59 1i17 h GLU 24 N -0.03 0.90 -0.54 0.00 4.57 -2.00 -2.69 114.58 114.78 1i17 h GLU 24 Ca 0.18 -0.40 -0.09 0.00 -1.18 0.00 0.00 59.36 57.87 1i17 h GLU 24 Cb 0.45 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1i17 h GLU 24 CO -0.92 1.05 -0.01 0.78 -1.18 0.00 0.00 179.01 178.74 1i17 h GLY 25 N 0.72 1.00 0.82 1.92 0.00 -1.66 -1.50 103.07 104.37 1i17 h GLY 25 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1i17 h GLY 25 CO 0.07 0.65 -0.05 3.43 0.00 0.00 0.00 176.54 180.64 1i17 h ASN 26 N 0.85 -0.15 -0.24 0.19 2.35 -0.64 -0.08 115.58 117.86 1i17 h ASN 26 Ca 0.16 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.98 1i17 h ASN 26 Cb 0.52 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1i17 h ASN 26 CO 0.03 -0.07 -0.03 0.03 -1.65 0.00 0.00 177.43 175.74 1i17 h ARG 27 N -0.07 0.04 0.52 0.81 3.08 -1.36 -0.82 114.38 116.58 1i17 h ARG 27 Ca 0.03 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1i17 h ARG 27 Cb 0.12 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1i17 h ARG 27 CO -0.08 0.03 -0.32 -0.92 -1.07 0.00 0.00 179.97 177.60 1i17 h TYR 28 N 0.04 -0.86 -0.12 3.04 3.20 -1.08 -2.64 116.97 118.55 1i17 h TYR 28 Ca 0.11 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1i17 h TYR 28 Cb 0.16 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1i17 h TYR 28 CO -0.21 -0.49 -0.07 -0.92 -1.64 0.00 0.00 178.16 174.82 1i17 h TYR 29 N -0.80 -0.17 -0.93 -3.82 3.20 -0.99 -0.51 116.97 112.96 1i17 h TYR 29 Ca -0.06 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.03 1i17 h TYR 29 Cb 0.66 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 1i17 h TYR 29 CO -0.10 -0.11 0.61 0.00 -1.64 0.00 0.00 178.16 176.91 1i17 h ALA 30 N 1.04 2.13 0.00 1.82 0.00 -1.10 0.11 119.26 123.27 1i17 h ALA 30 Ca 0.07 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 1i17 h ALA 30 Cb 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1i17 h ALA 30 CO -0.17 -0.44 -1.38 0.00 0.00 0.00 0.00 179.25 177.27 1i17 h ALA 31 N 1.61 0.64 0.00 0.00 0.00 -1.21 -3.42 119.26 116.88 1i17 h ALA 31 Ca 0.49 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1i17 h ALA 31 Cb 1.15 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1i17 h ALA 31 CO -0.21 1.29 -0.01 0.09 0.00 0.00 0.00 179.25 180.42 1i17 n ASN 32 N -3.10 1.74 -0.33 0.00 3.02 -0.22 -4.85 115.26 111.52 1i17 n ASN 32 Ca -0.10 -1.94 0.28 0.00 -0.03 0.00 0.00 54.58 52.79 1i17 n ASN 32 Cb 0.96 -0.03 0.60 0.00 -0.61 0.00 0.00 39.78 40.70 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 -0.83 3.10 -0.00 -1.04 -1.15 116.97 117.46 1i17 h TYR 33 Ca 0.00 0.01 0.24 0.00 -0.00 0.00 0.00 58.73 58.99 1i17 h TYR 33 Cb 0.61 -0.12 -0.03 0.00 -0.00 0.00 0.00 36.73 37.19 1i17 h TYR 33 CO 0.00 0.02 0.61 0.11 -0.00 0.00 0.00 178.16 178.90 1i17 h TRP 34 N 0.23 0.00 -0.04 0.10 5.08 -1.88 -1.66 115.95 117.78 1i17 h TRP 34 Ca 0.60 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.42 1i17 h TRP 34 Cb 1.84 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.99 1i17 h TRP 34 CO -0.00 0.00 -0.64 1.96 -1.28 0.00 0.00 178.44 178.48 1i17 h GLN 35 N 0.00 0.16 -7.12 0.12 4.20 -1.62 -3.48 115.11 107.38 1i17 h GLN 35 Ca 0.40 -0.12 -0.46 0.00 0.06 0.00 0.00 58.65 58.53 1i17 h GLN 35 Cb 1.61 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.42 1i17 h GLN 35 CO -0.00 0.74 0.36 -0.06 -0.67 0.00 0.00 178.83 179.20 1i17 s PHE 36 N -3.66 3.29 -0.56 2.96 0.40 -0.62 -5.01 117.98 114.78 1i17 s PHE 36 Ca -0.03 1.55 -0.27 0.00 -0.60 0.00 0.00 56.93 57.57 1i17 s PHE 36 Cb 0.12 -2.88 0.00 0.00 0.51 0.00 0.00 43.02 40.78 1i17 s PHE 36 CO 0.79 -0.39 1.58 -1.25 0.70 0.00 0.00 175.22 176.65 1i17 s PRO 37 N -3.58 3.10 0.45 0.24 0.04 -1.26 -4.81 135.00 129.17 1i17 s PRO 37 Ca 0.62 0.58 0.24 0.00 0.04 0.00 0.00 61.00 62.47 1i17 s PRO 37 Cb -0.11 -4.21 0.99 0.00 0.04 0.00 0.00 34.50 31.21 1i17 s PRO 37 CO 0.23 -2.17 1.86 0.38 0.04 0.00 0.00 177.00 177.34 1i17 h ASP 38 N 12.35 0.00 -3.10 6.66 3.04 -1.64 -3.44 116.42 130.29 1i17 h ASP 38 Ca -0.28 0.00 -0.47 0.00 -3.24 0.00 0.00 57.03 53.05 1i17 h ASP 38 Cb 1.12 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.27 1i17 h ASP 38 CO 1.18 0.23 -0.70 -0.83 -2.04 0.00 0.00 179.24 177.08 1i17 s GLY 39 N -4.28 1.64 -0.05 7.15 0.00 -0.65 -5.04 107.32 106.09 1i17 s GLY 39 Ca -0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 42.92 1i17 s GLY 39 CO 0.63 -1.79 0.01 -0.42 0.00 0.00 0.00 173.10 171.53 1i17 s ILE 40 N -3.02 0.23 -0.46 0.90 1.01 -1.26 -0.82 121.20 117.78 1i17 s ILE 40 Ca 0.26 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.79 1i17 s ILE 40 Cb 0.02 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1i17 s ILE 40 CO 0.09 0.21 1.65 -0.47 0.00 0.00 0.00 174.94 176.42 1i17 s TYR 41 N 1.64 2.00 -0.21 3.97 5.04 -0.18 -4.96 117.35 124.64 1i17 s TYR 41 Ca -0.01 0.64 -0.16 0.00 -2.44 0.00 0.00 57.07 55.11 1i17 s TYR 41 Cb -0.13 -4.21 0.06 0.00 0.35 0.00 0.00 41.96 38.03 1i17 s TYR 41 CO -0.03 -2.40 0.54 -0.47 -1.34 0.00 0.00 175.55 171.85 1i17 s TYR 42 N 6.90 -0.69 -0.46 4.97 5.04 -1.26 -0.37 117.35 131.48 1i17 s TYR 42 Ca 0.67 1.55 0.03 0.00 -2.44 0.00 0.00 57.07 56.88 1i17 s TYR 42 Cb -0.16 0.31 0.16 0.00 0.35 0.00 0.00 41.96 42.62 1i17 s TYR 42 CO 0.29 -0.35 0.33 -1.21 -1.34 0.00 0.00 175.55 173.26 1i17 s GLU 43 N 0.87 1.20 0.11 4.97 2.02 -1.26 -4.98 118.70 121.63 1i17 s GLU 43 Ca -0.05 -2.19 0.09 0.00 0.02 0.00 0.00 54.97 52.84 1i17 s GLU 43 Cb -0.05 -1.94 -0.18 0.00 0.10 0.00 0.00 34.13 32.06 1i17 s GLU 43 CO -0.07 -1.30 1.19 0.78 0.02 0.00 0.00 175.26 175.88 1i17 h GLY 44 N 6.02 0.00 -5.71 -1.39 0.00 -1.99 -3.47 103.07 96.53 1i17 h GLY 44 Ca 0.16 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.89 1i17 h GLY 44 CO 0.44 0.00 1.13 0.00 0.00 0.00 0.00 176.54 178.11 1i17 n SER 46 N 6.84 -1.06 -3.99 0.00 3.41 -1.26 -5.16 113.62 112.39 1i17 n SER 46 Ca 0.22 0.55 -0.08 0.00 -0.26 0.00 0.00 58.87 59.30 1i17 n SER 46 Cb 0.31 1.17 -0.09 0.00 -0.26 0.00 0.00 64.21 65.34 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 -1.89 0.67 0.54 4.33 -1.05 -1.26 -5.07 118.70 114.96 1i17 s GLU 47 Ca 0.00 -1.06 0.28 0.00 -0.15 0.00 0.00 54.97 54.05 1i17 s GLU 47 Cb 0.00 0.25 1.45 0.00 -0.44 0.00 0.00 34.13 35.39 1i17 s GLU 47 CO 0.00 -0.16 1.94 0.00 0.95 0.00 0.00 175.26 177.99 1i17 h ALA 48 N 3.15 2.57 -0.05 -0.84 0.00 -2.02 -0.64 119.26 121.42 1i17 h ALA 48 Ca -0.34 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1i17 h ALA 48 Cb 1.17 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1i17 h ALA 48 CO 0.60 -0.83 0.04 -0.91 0.00 0.00 0.00 179.25 178.15 1i17 h ASN 49 N 0.00 0.00 -1.56 0.00 2.35 -1.99 -3.36 115.58 111.02 1i17 h ASN 49 Ca 0.31 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.58 1i17 h ASN 49 Cb 1.30 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.60 1i17 h ASN 49 CO -0.00 0.00 1.16 -0.69 -1.65 0.00 0.00 177.43 176.25 1i17 s VAL 50 N -4.98 3.60 1.04 2.81 1.01 -0.25 -4.97 120.40 118.66 1i17 s VAL 50 Ca -0.05 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1i17 s VAL 50 Cb 0.17 -4.47 0.22 0.00 0.00 0.00 0.00 36.38 32.30 1i17 s VAL 50 CO 0.65 -1.41 1.21 0.42 0.00 0.00 0.00 175.10 175.98 1i17 s THR 51 N 7.50 1.85 0.09 3.92 -4.23 -1.26 -4.84 115.64 118.67 1i17 s THR 51 Ca 0.55 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.82 1i17 s THR 51 Cb -0.07 -2.77 -0.15 0.00 1.34 0.00 0.00 72.50 70.85 1i17 s THR 51 CO 0.07 0.00 1.73 0.50 -0.54 0.00 0.00 174.62 176.38 1i17 h LYS 52 N -1.97 -0.05 -0.50 3.99 3.64 -1.95 -0.73 116.57 119.00 1i17 h LYS 52 Ca -0.45 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 1i17 h LYS 52 Cb 1.27 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 1i17 h LYS 52 CO 0.40 -0.03 -0.11 0.93 -2.27 0.00 0.00 179.45 178.36 1i17 h GLU 53 N -0.05 0.01 0.33 1.90 3.07 -1.99 0.37 114.58 118.22 1i17 h GLU 53 Ca -0.01 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1i17 h GLU 53 Cb 0.04 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1i17 h GLU 53 CO 0.01 0.01 -0.42 0.52 -1.40 0.00 0.00 179.01 177.72 1i17 h MET 54 N 0.01 -0.77 0.48 2.33 2.86 -1.92 -2.83 114.93 115.10 1i17 h MET 54 Ca 0.24 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 1i17 h MET 54 Cb 0.36 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1i17 h MET 54 CO -0.50 -0.51 -0.23 1.25 1.06 0.00 0.00 176.91 177.98 1i17 h LEU 55 N -0.80 -0.55 -0.51 1.22 6.46 -0.42 -1.08 115.31 119.63 1i17 h LEU 55 Ca -0.02 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1i17 h LEU 55 Cb 0.73 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.77 1i17 h LEU 55 CO -0.11 -0.39 0.30 0.58 -0.62 0.00 0.00 178.44 178.20 1i17 h VAL 56 N -0.65 1.04 -0.13 1.05 2.07 -1.06 0.15 116.25 118.72 1i17 h VAL 56 Ca -0.07 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1i17 h VAL 56 Cb 0.50 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1i17 h VAL 56 CO 0.11 0.11 0.08 0.74 0.02 0.00 0.00 177.57 178.63 1i17 h THR 57 N 0.59 1.05 -0.94 2.57 2.02 -1.48 -2.22 112.91 114.49 1i17 h THR 57 Ca 0.21 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1i17 h THR 57 Cb 0.04 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1i17 h THR 57 CO -0.10 0.05 0.62 0.28 0.37 0.00 0.00 175.52 176.73 1i17 h SER 58 N 0.15 1.05 -0.16 4.18 0.02 -0.71 -1.83 113.55 116.25 1i17 h SER 58 Ca 0.05 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1i17 h SER 58 Cb 0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1i17 h SER 58 CO -0.01 0.74 0.07 0.00 -1.14 0.00 0.00 176.83 176.49 1i17 h VAL 60 N 0.16 0.75 -0.58 0.00 2.07 -1.15 0.35 116.25 117.85 1i17 h VAL 60 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1i17 h VAL 60 Cb 0.02 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1i17 h VAL 60 CO -0.06 0.00 0.31 0.78 0.02 0.00 0.00 177.57 178.62 1i17 h ASN 61 N -0.07 0.45 -0.30 0.57 2.35 -1.15 -0.78 115.58 116.65 1i17 h ASN 61 Ca 0.09 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1i17 h ASN 61 Cb 0.20 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1i17 h ASN 61 CO -0.20 0.30 0.17 0.00 -1.65 0.00 0.00 177.43 176.05 1i17 h ALA 62 N 1.31 0.39 -0.37 -0.83 0.00 -0.48 -2.31 119.26 116.97 1i17 h ALA 62 Ca 0.26 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1i17 h ALA 62 Cb 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1i17 h ALA 62 CO -0.17 -0.08 0.09 1.15 0.00 0.00 0.00 179.25 180.24 1i17 h THR 63 N 0.37 0.84 0.02 0.00 2.02 -0.56 0.19 112.91 115.79 1i17 h THR 63 Ca 0.11 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1i17 h THR 63 Cb 0.06 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1i17 h THR 63 CO -0.02 0.04 -0.50 1.56 0.37 0.00 0.00 175.52 176.97 1i17 h GLN 64 N 0.22 -0.63 -0.71 6.66 4.20 -1.08 -2.26 115.11 121.52 1i17 h GLN 64 Ca 0.17 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.98 1i17 h GLN 64 Cb 0.19 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 1i17 h GLN 64 CO -0.21 -0.42 0.41 0.00 -0.67 0.00 0.00 178.83 177.94 1i17 h ALA 65 N -0.52 0.95 -0.28 3.87 0.00 -1.09 -2.62 119.26 119.57 1i17 h ALA 65 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1i17 h ALA 65 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1i17 h ALA 65 CO -0.32 0.10 -0.30 0.00 0.00 0.00 0.00 179.25 178.73 1i17 h ALA 66 N 1.36 0.95 -0.54 0.00 0.00 -0.93 -3.36 119.26 116.73 1i17 h ALA 66 Ca 0.31 -0.39 -0.39 0.00 0.00 0.00 0.00 54.91 54.44 1i17 h ALA 66 Cb 0.18 -0.12 -0.35 0.00 0.00 0.00 0.00 17.79 17.50 1i17 h ALA 66 CO -0.18 0.61 -0.81 0.09 0.00 0.00 0.00 179.25 178.96 1i17 n ASN 67 N -4.08 3.73 -0.10 0.00 3.02 -0.85 -4.46 115.26 112.52 1i17 n ASN 67 Ca -0.01 -3.47 -0.06 0.00 -0.03 0.00 0.00 54.58 51.01 1i17 n ASN 67 Cb 0.45 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.98 -0.07 -0.55 3.52 4.20 -1.63 -2.83 115.11 119.73 1i17 h GLN 68 Ca 0.21 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.02 1i17 h GLN 68 Cb 1.42 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 29.14 1i17 h GLN 68 CO 0.52 -0.05 0.15 0.00 -0.67 0.00 0.00 178.83 178.77 1i17 h ALA 69 N 1.21 0.65 0.50 3.87 0.00 -1.90 -1.02 119.26 122.57 1i17 h ALA 69 Ca 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1i17 h ALA 69 Cb 0.34 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1i17 h ALA 69 CO -0.40 -0.27 -0.32 0.93 0.00 0.00 0.00 179.25 179.19 1i17 h GLU 70 N 0.30 -0.76 -0.31 0.00 4.39 -1.87 -1.21 114.58 115.12 1i17 h GLU 70 Ca 0.28 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.08 1i17 h GLU 70 Cb 0.37 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 1i17 h GLU 70 CO -0.33 -0.51 0.03 0.74 -1.16 0.00 0.00 179.01 177.78 1i17 h PHE 71 N -0.79 0.04 -0.48 4.33 0.04 -1.53 -1.85 116.94 116.69 1i17 h PHE 71 Ca -0.06 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.79 1i17 h PHE 71 Cb 0.65 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.78 1i17 h PHE 71 CO -0.11 -0.02 0.20 0.77 -0.60 0.00 0.00 178.31 178.55 1i17 h SER 72 N 0.12 0.25 0.37 2.17 0.02 -1.01 -2.03 113.55 113.44 1i17 h SER 72 Ca 0.15 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1i17 h SER 72 Cb 0.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1i17 h SER 72 CO -0.22 0.18 -0.18 0.03 -1.14 0.00 0.00 176.83 175.50 1i17 h ARG 73 N 0.40 -0.47 0.43 3.45 2.47 -1.15 -3.38 114.38 116.12 1i17 h ARG 73 Ca 0.22 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1i17 h ARG 73 Cb 0.19 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1i17 h ARG 73 CO -0.20 -0.17 -0.30 0.93 0.56 0.00 0.00 179.97 180.79 1i17 h GLU 74 N -0.80 -0.69 -0.76 0.04 4.39 -1.23 -3.30 114.58 112.22 1i17 h GLU 74 Ca -0.05 0.05 0.22 0.00 0.34 0.00 0.00 59.36 59.92 1i17 h GLU 74 Cb 0.52 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1i17 h GLU 74 CO 0.08 -0.46 0.69 1.57 -1.16 0.00 0.00 179.01 179.73 1i17 h LYS 75 N -0.72 0.00 -0.49 2.33 2.10 -1.55 0.12 116.57 118.36 1i17 h LYS 75 Ca -0.04 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.65 1i17 h LYS 75 Cb 0.61 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.91 1i17 h LYS 75 CO 0.02 0.00 0.32 1.96 -2.00 0.00 0.00 179.45 179.75 1i17 h GLN 76 N 0.00 0.47 0.00 0.07 1.08 -1.78 -3.40 115.11 111.56 1i17 h GLN 76 Ca 0.36 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1i17 h GLN 76 Cb 1.74 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.07 1i17 h GLN 76 CO -0.00 0.31 -0.24 -3.47 -0.95 0.00 0.00 178.83 174.47 1i17 n ASP 77 N -4.48 0.96 -2.42 1.46 2.03 -0.75 -4.94 116.55 108.41 1i17 n ASP 77 Ca 0.06 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.20 1i17 n ASP 77 Cb 0.19 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.76 5.37 0.14 1.67 2.88 0.33 -4.71 113.62 117.53 1i17 n SER 78 Ca 0.00 -2.38 -0.14 0.00 -1.33 0.00 0.00 58.87 55.02 1i17 n SER 78 Cb 0.12 -1.27 -0.07 0.00 -0.75 0.00 0.00 64.21 62.24 1i17 n SER 78 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1i17 h LYS 79 N 4.01 -0.29 -0.47 -1.46 1.57 -1.80 -1.70 116.57 116.43 1i17 h LYS 79 Ca 0.34 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.18 1i17 h LYS 79 Cb 0.99 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1i17 h LYS 79 CO 0.68 -0.20 0.22 1.25 -0.57 0.00 0.00 179.45 180.84 1i17 h LEU 80 N -0.30 0.31 -0.11 2.94 5.85 -1.98 -3.01 115.31 119.00 1i17 h LEU 80 Ca -0.02 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1i17 h LEU 80 Cb 0.25 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1i17 h LEU 80 CO 0.02 0.22 -0.29 -0.74 -0.34 0.00 0.00 178.44 177.31 1i17 h HIS 81 N 0.45 -0.79 -0.38 1.25 2.76 -1.84 -2.45 115.15 114.14 1i17 h HIS 81 Ca 0.21 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 1i17 h HIS 81 Cb 0.14 0.37 -0.09 0.00 1.55 0.00 0.00 27.41 29.38 1i17 h HIS 81 CO -0.11 -0.37 -0.23 1.96 -1.30 0.00 0.00 177.93 177.88 1i17 h GLN 82 N -0.37 -0.16 0.05 5.26 1.08 -1.20 0.19 115.11 119.96 1i17 h GLN 82 Ca 0.09 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1i17 h GLN 82 Cb 0.52 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 1i17 h GLN 82 CO -0.32 -0.11 -0.26 0.00 -0.95 0.00 0.00 178.83 177.19 1i17 h ARG 83 N -0.17 -0.42 -0.08 1.46 2.47 -1.38 -0.08 114.38 116.19 1i17 h ARG 83 Ca 0.19 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1i17 h ARG 83 Cb 0.46 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1i17 h ARG 83 CO -0.48 -0.28 0.02 0.28 0.56 0.00 0.00 179.97 180.07 1i17 h VAL 84 N -0.43 0.98 -0.43 2.04 2.07 -1.20 -2.57 116.25 116.71 1i17 h VAL 84 Ca 0.05 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1i17 h VAL 84 Cb 0.49 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1i17 h VAL 84 CO -0.19 0.01 0.14 0.25 0.02 0.00 0.00 177.57 177.79 1i17 h LEU 85 N 0.06 0.12 -0.58 2.57 5.85 -0.45 -0.44 115.31 122.45 1i17 h LEU 85 Ca 0.03 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1i17 h LEU 85 Cb 0.02 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1i17 h LEU 85 CO -0.04 0.10 0.23 -0.50 -0.34 0.00 0.00 178.44 177.89 1i17 h TRP 86 N 0.29 0.88 -0.09 1.25 4.06 -0.97 0.54 115.95 121.92 1i17 h TRP 86 Ca 0.20 -0.07 0.03 0.00 2.06 0.00 0.00 58.89 61.11 1i17 h TRP 86 Cb 0.21 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 1i17 h TRP 86 CO -0.16 0.71 -0.08 -0.09 -3.56 0.00 0.00 178.44 175.26 1i17 h ARG 87 N 0.79 -0.10 -0.22 0.49 9.65 -1.19 -0.35 114.38 123.46 1i17 h ARG 87 Ca 0.19 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.14 1i17 h ARG 87 Cb 0.21 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.75 1i17 h ARG 87 CO -0.01 -0.06 -0.22 1.25 2.80 0.00 0.00 179.97 183.72 1i17 h LEU 88 N -0.10 -0.69 -0.29 3.80 7.12 -0.90 -0.17 115.31 124.08 1i17 h LEU 88 Ca 0.06 0.13 0.06 0.00 0.13 0.00 0.00 57.88 58.26 1i17 h LEU 88 Cb 0.19 0.33 -0.06 0.00 -0.53 0.00 0.00 40.66 40.59 1i17 h LEU 88 CO -0.15 -0.26 -0.12 0.40 -0.13 0.00 0.00 178.44 178.19 1i17 h ILE 89 N -0.23 0.61 -0.26 4.05 2.04 -0.76 -2.00 117.51 120.97 1i17 h ILE 89 Ca 0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1i17 h ILE 89 Cb 0.43 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1i17 h ILE 89 CO -0.35 0.00 0.07 0.50 0.00 0.00 0.00 178.15 178.37 1i17 h LYS 90 N -0.07 0.17 -0.43 2.37 1.63 -0.63 0.90 116.57 120.51 1i17 h LYS 90 Ca 0.15 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.02 1i17 h LYS 90 Cb 0.29 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.81 1i17 h LYS 90 CO -0.33 0.12 -0.02 0.93 -3.45 0.00 0.00 179.45 176.69 1i17 h GLU 91 N 0.18 0.09 0.20 1.90 4.39 -0.82 0.10 114.58 120.61 1i17 h GLU 91 Ca 0.11 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1i17 h GLU 91 Cb 0.10 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1i17 h GLU 91 CO -0.13 0.06 -0.10 0.82 -1.16 0.00 0.00 179.01 178.50 1i17 h ILE 92 N 0.09 0.82 -0.50 3.13 2.04 -1.07 -2.87 117.51 119.15 1i17 h ILE 92 Ca 0.21 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 66.04 1i17 h ILE 92 Cb 0.31 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1i17 h ILE 92 CO -0.37 0.02 0.20 0.00 0.00 0.00 0.00 178.15 178.00 1i17 h SER 94 N 0.40 0.62 0.61 0.00 0.87 -0.77 -2.31 113.55 112.97 1i17 h SER 94 Ca 0.23 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1i17 h SER 94 Cb 0.21 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1i17 h SER 94 CO -0.21 0.22 -0.07 0.00 -0.53 0.00 0.00 176.83 176.24 1i17 h ALA 95 N 1.63 1.09 -2.44 6.23 0.00 -1.16 -3.43 119.26 121.17 1i17 h ALA 95 Ca 0.55 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.86 1i17 h ALA 95 Cb 1.07 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1i17 h ALA 95 CO -0.30 0.08 1.09 0.15 0.00 0.00 0.00 179.25 180.27 1i17 s LYS 96 N -3.92 4.16 0.08 0.00 3.01 -0.87 -5.02 119.74 117.19 1i17 s LYS 96 Ca -0.01 2.46 0.03 0.00 -1.01 0.00 0.00 55.97 57.44 1i17 s LYS 96 Cb 0.11 -3.73 -0.03 0.00 -1.01 0.00 0.00 37.83 33.17 1i17 s LYS 96 CO 0.54 -0.82 -0.10 -1.01 0.51 0.00 0.00 175.35 174.47 1i17 s HIS 97 N 3.11 0.98 -0.06 3.18 3.76 -1.26 -4.94 115.29 120.06 1i17 s HIS 97 Ca 0.79 -0.62 0.05 0.00 -0.15 0.00 0.00 55.06 55.12 1i17 s HIS 97 Cb -0.42 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 32.71 1i17 s HIS 97 CO 0.35 -0.02 -0.22 0.00 -0.85 0.00 0.00 174.74 174.00 1i17 h ASP 99 N 5.95 0.87 0.58 0.00 3.58 -2.02 -2.77 116.42 122.62 1i17 h ASP 99 Ca -0.35 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1i17 h ASP 99 Cb 1.17 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1i17 h ASP 99 CO 0.49 0.59 0.00 2.22 -2.88 0.00 0.00 179.24 179.66 1i17 n PHE 100 N -4.45 0.44 -1.80 0.28 1.16 -1.26 -4.88 117.46 106.95 1i17 n PHE 100 Ca 0.11 0.18 -0.40 0.00 -1.87 0.00 0.00 57.45 55.46 1i17 n PHE 100 Cb 0.12 -0.78 0.01 0.00 -1.61 0.00 0.00 39.48 37.21 1i17 n PHE 100 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1i17 s TRP 101 N -3.18 2.52 0.32 2.97 0.51 -1.05 -4.90 118.94 116.13 1i17 s TRP 101 Ca 0.05 1.21 -0.02 0.00 -2.12 0.00 0.00 56.10 55.22 1i17 s TRP 101 Cb 0.09 -3.98 -0.01 0.00 -0.81 0.00 0.00 33.47 28.76 1i17 s TRP 101 CO 0.32 -2.98 0.42 -0.48 -0.51 0.00 0.00 176.95 173.71 1i17 s LEU 102 N -2.38 1.08 0.91 2.99 2.34 -1.26 -5.10 118.68 117.25 1i17 s LEU 102 Ca 0.57 -1.47 -0.11 0.00 0.06 0.00 0.00 54.13 53.18 1i17 s LEU 102 Cb -0.45 1.26 0.14 0.00 -0.56 0.00 0.00 46.19 46.58 1i17 s LEU 102 CO 0.60 -1.21 1.11 -1.83 -1.06 0.00 0.00 176.35 173.96 1i17 s GLU 103 N -3.29 1.07 0.73 1.48 -1.05 -1.26 -5.01 118.70 111.36 1i17 s GLU 103 Ca 0.32 1.27 -0.15 0.00 -0.15 0.00 0.00 54.97 56.26 1i17 s GLU 103 Cb 0.01 -1.75 0.04 0.00 -0.44 0.00 0.00 34.13 31.98 1i17 s GLU 103 CO 0.20 -2.50 1.23 -0.98 0.95 0.00 0.00 175.26 174.15 1i17 s ARG 104 N -4.72 2.12 0.16 -4.83 3.03 -1.26 -5.01 118.95 108.45 1i17 s ARG 104 Ca 0.65 1.84 -0.30 0.00 2.03 0.00 0.00 55.73 59.95 1i17 s ARG 104 Cb -0.21 -1.82 -0.07 0.00 -1.03 0.00 0.00 34.95 31.81 1i17 s ARG 104 CO 0.58 -1.87 1.12 0.20 -1.13 0.00 0.00 175.30 174.20 1i17 s GLY 105 N -1.89 2.78 0.12 3.88 0.00 -1.26 -5.06 107.32 105.90 1i17 s GLY 105 Ca 0.76 0.83 -0.11 0.00 0.00 0.00 0.00 44.72 46.20 1i17 s GLY 105 CO 0.45 1.72 0.29 0.00 0.00 0.00 0.00 173.10 175.56 1i17 s ALA 106 N -0.05 -0.39 0.00 3.20 0.00 -1.26 -5.34 121.76 117.91 1i17 s ALA 106 Ca 0.51 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1i17 s ALA 106 Cb -0.30 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1i17 s ALA 106 CO 0.34 -0.60 0.00 0.00 0.00 0.00 0.00 175.76 175.50