#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 h VAL 2 N 0.00 1.10 -3.13 8.89 3.04 -2.03 -3.46 116.25 120.66 1i17 h VAL 2 Ca 0.00 -0.29 -0.08 0.00 -1.01 0.00 0.00 66.70 65.32 1i17 h VAL 2 Cb 0.00 1.19 -0.16 0.00 -2.01 0.00 0.00 31.29 30.31 1i17 h VAL 2 CO 0.00 0.08 -0.14 0.00 -1.01 0.00 0.00 177.57 176.51 1i17 s ALA 3 N -5.75 -0.92 0.16 3.17 0.00 -1.26 -5.05 121.76 112.12 1i17 s ALA 3 Ca -0.14 0.20 0.35 0.00 0.00 0.00 0.00 51.96 52.38 1i17 s ALA 3 Cb 0.06 0.37 1.54 0.00 0.00 0.00 0.00 23.12 25.08 1i17 s ALA 3 CO 0.67 -0.46 2.03 1.05 0.00 0.00 0.00 175.76 179.06 1i17 h GLU 4 N 3.01 0.00 -1.99 0.00 9.09 -1.98 -3.32 114.58 119.39 1i17 h GLU 4 Ca -0.32 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.61 1i17 h GLU 4 Cb 1.21 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 27.91 1i17 h GLU 4 CO 0.44 0.00 -1.17 -1.71 0.05 0.00 0.00 179.01 176.62 1i17 n ASN 5 N -3.02 1.02 -4.80 3.06 5.15 -1.26 -5.01 115.26 110.40 1i17 n ASN 5 Ca 0.00 -3.04 -0.31 0.00 -0.60 0.00 0.00 54.58 50.64 1i17 n ASN 5 Cb 0.25 -0.62 0.07 0.00 -0.53 0.00 0.00 39.78 38.96 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 -2.49 2.48 -0.22 1.20 1.70 -1.25 -4.89 118.95 115.48 1i17 s ARG 6 Ca 0.40 0.87 -0.40 0.00 -0.47 0.00 0.00 55.73 56.13 1i17 s ARG 6 Cb 0.35 -1.95 -0.16 0.00 -0.57 0.00 0.00 34.95 32.62 1i17 s ARG 6 CO -0.08 -1.40 1.63 -2.30 -1.08 0.00 0.00 175.30 172.07 1i17 n PRO 7 N -3.32 0.99 0.00 3.89 -0.02 -1.26 -1.56 135.00 133.72 1i17 n PRO 7 Ca 0.07 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1i17 n PRO 7 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 3.75 2.27 3.74 -1.23 0.00 0.78 -4.57 105.19 109.94 1i17 n GLY 8 Ca 0.25 0.00 -0.42 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 -0.32 2.46 -1.73 4.61 0.00 -0.60 -4.23 120.51 120.69 1i17 n ALA 9 Ca 0.00 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 1i17 n ALA 9 Cb 0.00 -2.45 0.02 0.00 0.00 0.00 0.00 19.45 17.02 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 2.15 2.41 -3.82 0.00 3.72 -1.26 -0.88 117.46 119.78 1i17 n PHE 10 Ca 0.09 0.46 -0.30 0.00 -0.05 0.00 0.00 57.45 57.65 1i17 n PHE 10 Cb 0.36 -2.41 -0.14 0.00 -0.94 0.00 0.00 39.48 36.35 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 -1.21 1.73 -0.31 4.37 1.01 0.16 -4.80 121.20 122.15 1i17 s ILE 11 Ca 0.62 -2.50 -0.23 0.00 0.00 0.00 0.00 60.65 58.54 1i17 s ILE 11 Cb -0.47 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1i17 s ILE 11 CO 0.57 -0.79 0.78 -0.54 0.00 0.00 0.00 174.94 174.96 1i17 s LYS 12 N 0.51 3.94 0.00 2.79 1.02 -1.26 -1.31 119.74 125.43 1i17 s LYS 12 Ca 0.15 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.68 1i17 s LYS 12 Cb -0.23 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 1i17 s LYS 12 CO -0.05 -0.69 0.00 1.04 -0.92 0.00 0.00 175.35 174.73 1i17 n GLN 13 N 6.21 0.00 0.00 1.68 6.02 -1.26 -4.99 117.38 125.04 1i17 n GLN 13 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1i17 n GLN 13 Cb 0.48 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 31.04 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 3.19 1.20 3.02 1.08 0.00 -1.26 -5.13 105.19 107.28 1i17 n GLY 14 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.03 0.25 -0.42 1.61 3.52 -1.26 -5.08 118.95 117.54 1i17 s ARG 15 Ca 0.00 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 1i17 s ARG 15 Cb 0.00 0.11 0.12 0.00 -1.56 0.00 0.00 34.95 33.61 1i17 s ARG 15 CO 0.00 -0.05 0.17 0.21 -0.81 0.00 0.00 175.30 174.83 1i17 s LYS 16 N -0.53 1.82 1.02 5.12 2.20 -1.26 -4.63 119.74 123.48 1i17 s LYS 16 Ca -0.06 -2.09 -0.17 0.00 -0.36 0.00 0.00 55.97 53.28 1i17 s LYS 16 Cb -0.04 -3.38 0.24 0.00 -1.51 0.00 0.00 37.83 33.14 1i17 s LYS 16 CO 0.00 -1.03 1.32 1.28 -0.36 0.00 0.00 175.35 176.56 1i17 n LEU 17 N 4.01 0.00 -3.84 5.43 4.77 -1.26 -5.09 117.00 121.02 1i17 n LEU 17 Ca 0.03 -1.44 -0.30 0.00 -0.03 0.00 0.00 56.01 54.27 1i17 n LEU 17 Cb 0.39 -1.03 -0.15 0.00 -2.33 0.00 0.00 43.42 40.30 1i17 n LEU 17 CO 0.28 -1.55 -0.34 -0.62 -1.33 0.00 0.00 177.39 173.83 1i17 s ASP 18 N -5.76 4.15 -0.03 -1.43 2.15 -1.26 -5.04 116.67 109.46 1i17 s ASP 18 Ca 0.76 -1.68 0.01 0.00 0.43 0.00 0.00 52.55 52.07 1i17 s ASP 18 Cb -0.03 -1.09 0.02 0.00 -0.30 0.00 0.00 42.92 41.52 1i17 s ASP 18 CO 0.54 -0.38 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.50 1i17 s ILE 19 N 1.41 0.41 -1.01 4.11 1.01 -1.26 -5.10 121.20 120.77 1i17 s ILE 19 Ca 0.08 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.45 1i17 s ILE 19 Cb -0.18 -0.43 0.10 0.00 0.01 0.00 0.00 42.46 41.96 1i17 s ILE 19 CO -0.18 0.18 1.32 -0.62 0.00 0.00 0.00 174.94 175.64 1i17 s ASP 20 N 0.74 6.63 0.19 3.58 2.15 -1.26 -4.81 116.67 123.89 1i17 s ASP 20 Ca -0.09 -1.93 -0.08 0.00 0.43 0.00 0.00 52.55 50.88 1i17 s ASP 20 Cb -0.12 -2.48 0.09 0.00 -0.30 0.00 0.00 42.92 40.11 1i17 s ASP 20 CO -0.00 -1.21 1.63 -0.26 -0.17 0.00 0.00 175.17 175.15 1i17 h PHE 21 N 8.96 1.11 0.00 -5.34 0.04 -1.98 -3.50 116.94 116.23 1i17 h PHE 21 Ca 0.21 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1i17 h PHE 21 Cb 0.99 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1i17 h PHE 21 CO 1.22 1.02 0.00 0.41 -0.60 0.00 0.00 178.31 180.36 1i17 n GLY 22 N -0.34 3.82 0.40 -1.45 0.00 -1.26 -4.86 105.19 101.50 1i17 n GLY 22 Ca 0.02 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 1i17 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 n ALA 23 N -1.40 -0.40 -0.12 4.61 0.00 -1.26 -0.30 120.51 121.63 1i17 n ALA 23 Ca 0.00 0.91 -0.09 0.00 0.00 0.00 0.00 53.44 54.26 1i17 n ALA 23 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 1i17 n ALA 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1i17 h GLU 24 N 0.00 0.57 -0.50 0.00 4.81 -2.00 -2.57 114.58 114.89 1i17 h GLU 24 Ca 0.24 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1i17 h GLU 24 Cb 0.49 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1i17 h GLU 24 CO -0.96 0.57 -0.09 0.78 -0.73 0.00 0.00 179.01 178.58 1i17 h GLY 25 N 0.45 0.99 0.77 1.92 0.00 -1.57 -1.94 103.07 103.70 1i17 h GLY 25 Ca 0.12 -0.76 0.02 0.00 0.00 0.00 0.00 47.33 46.71 1i17 h GLY 25 CO -0.01 0.70 -0.02 3.43 0.00 0.00 0.00 176.54 180.64 1i17 h ASN 26 N 0.82 -0.09 -0.44 0.19 2.35 -0.63 -0.19 115.58 117.59 1i17 h ASN 26 Ca 0.14 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1i17 h ASN 26 Cb 0.62 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 1i17 h ASN 26 CO 0.04 -0.03 0.27 0.03 -1.65 0.00 0.00 177.43 176.09 1i17 h ARG 27 N 0.01 0.53 0.51 0.81 3.08 -1.39 -1.24 114.38 116.69 1i17 h ARG 27 Ca 0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1i17 h ARG 27 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1i17 h ARG 27 CO -0.12 0.35 -0.32 -0.92 -1.07 0.00 0.00 179.97 177.89 1i17 h TYR 28 N 0.54 -0.84 -0.16 3.04 3.20 -1.14 -2.89 116.97 118.71 1i17 h TYR 28 Ca 0.17 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1i17 h TYR 28 Cb -0.02 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1i17 h TYR 28 CO -0.06 -0.49 -0.06 -0.92 -1.64 0.00 0.00 178.16 174.99 1i17 h TYR 29 N -0.79 -0.15 -0.82 -3.82 3.20 -0.98 -0.51 116.97 113.11 1i17 h TYR 29 Ca -0.06 0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.07 1i17 h TYR 29 Cb 0.65 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1i17 h TYR 29 CO -0.10 -0.10 0.61 0.00 -1.64 0.00 0.00 178.16 176.92 1i17 h ALA 30 N 1.12 2.76 0.00 1.82 0.00 -1.21 0.51 119.26 124.25 1i17 h ALA 30 Ca 0.09 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1i17 h ALA 30 Cb 0.17 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1i17 h ALA 30 CO -0.19 -1.03 -1.85 0.00 0.00 0.00 0.00 179.25 176.18 1i17 n ALA 31 N -2.67 2.12 -0.22 0.00 0.00 -0.95 -4.71 120.51 114.08 1i17 n ALA 31 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1i17 n ALA 31 Cb 0.91 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1i17 n ALA 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i17 n ASN 32 N -2.64 1.34 -0.35 0.00 3.02 -0.24 -4.86 115.26 111.53 1i17 n ASN 32 Ca -0.14 -1.56 0.28 0.00 -0.03 0.00 0.00 54.58 53.13 1i17 n ASN 32 Cb 0.83 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.54 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 0.81 -1.01 3.10 -0.00 -1.16 -1.63 116.97 117.09 1i17 h TYR 33 Ca 0.00 0.03 0.27 0.00 -0.00 0.00 0.00 58.73 59.03 1i17 h TYR 33 Cb 0.47 -0.21 -0.07 0.00 -0.00 0.00 0.00 36.73 36.93 1i17 h TYR 33 CO 0.00 -0.24 0.68 0.11 -0.00 0.00 0.00 178.16 178.72 1i17 h TRP 34 N 0.21 0.37 -0.18 0.10 5.08 -1.87 -1.92 115.95 117.74 1i17 h TRP 34 Ca 0.77 0.01 -0.13 0.00 1.08 0.00 0.00 58.89 60.62 1i17 h TRP 34 Cb 1.98 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 28.02 1i17 h TRP 34 CO -0.01 0.05 -0.46 1.96 -1.28 0.00 0.00 178.44 178.71 1i17 h GLN 35 N 0.24 0.44 -7.03 0.12 4.20 -1.70 -3.46 115.11 107.92 1i17 h GLN 35 Ca 0.53 -0.24 -0.50 0.00 0.06 0.00 0.00 58.65 58.50 1i17 h GLN 35 Cb 1.62 0.01 0.06 0.00 0.30 0.00 0.00 27.48 29.48 1i17 h GLN 35 CO -0.15 0.81 0.46 -0.06 -0.67 0.00 0.00 178.83 179.21 1i17 s PHE 36 N -4.11 2.84 -0.75 2.96 0.40 -0.72 -4.98 117.98 113.62 1i17 s PHE 36 Ca -0.06 1.55 -0.26 0.00 -0.60 0.00 0.00 56.93 57.56 1i17 s PHE 36 Cb 0.12 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.34 1i17 s PHE 36 CO 0.81 -1.43 1.63 -1.25 0.70 0.00 0.00 175.22 175.68 1i17 s PRO 37 N -2.92 2.93 0.42 0.24 0.04 -1.26 -4.71 135.00 129.75 1i17 s PRO 37 Ca 0.67 -0.02 0.29 0.00 0.04 0.00 0.00 61.00 61.97 1i17 s PRO 37 Cb -0.26 -4.54 1.14 0.00 0.04 0.00 0.00 34.50 30.89 1i17 s PRO 37 CO 0.31 -2.56 1.86 0.38 0.04 0.00 0.00 177.00 177.02 1i17 h ASP 38 N 12.12 0.00 -3.28 6.66 3.04 -1.87 -3.44 116.42 129.66 1i17 h ASP 38 Ca -0.16 0.00 -0.45 0.00 -3.24 0.00 0.00 57.03 53.18 1i17 h ASP 38 Cb 1.08 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.23 1i17 h ASP 38 CO 1.26 0.00 -0.74 -0.83 -2.04 0.00 0.00 179.24 176.90 1i17 s GLY 39 N -3.93 1.40 -0.04 7.15 0.00 -0.42 -5.04 107.32 106.43 1i17 s GLY 39 Ca 0.03 -1.63 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1i17 s GLY 39 CO 0.50 -1.72 0.02 -0.42 0.00 0.00 0.00 173.10 171.47 1i17 s ILE 40 N -2.90 0.15 -0.81 0.90 1.01 -1.26 -0.66 121.20 117.64 1i17 s ILE 40 Ca 0.21 0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.80 1i17 s ILE 40 Cb -0.01 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 1i17 s ILE 40 CO 0.06 0.19 1.71 -0.47 0.00 0.00 0.00 174.94 176.43 1i17 s TYR 41 N 1.58 1.98 -0.19 3.97 5.04 -0.06 -4.94 117.35 124.73 1i17 s TYR 41 Ca -0.02 0.28 -0.18 0.00 -2.44 0.00 0.00 57.07 54.72 1i17 s TYR 41 Cb -0.13 -4.28 0.05 0.00 0.35 0.00 0.00 41.96 37.95 1i17 s TYR 41 CO -0.03 -2.01 0.52 -0.47 -1.34 0.00 0.00 175.55 172.21 1i17 s TYR 42 N 8.07 -0.58 -0.44 4.97 5.04 -1.26 -0.15 117.35 132.99 1i17 s TYR 42 Ca 0.59 1.40 0.03 0.00 -2.44 0.00 0.00 57.07 56.64 1i17 s TYR 42 Cb -0.07 0.21 0.15 0.00 0.35 0.00 0.00 41.96 42.60 1i17 s TYR 42 CO 0.07 -0.28 0.30 -1.21 -1.34 0.00 0.00 175.55 173.09 1i17 s GLU 43 N 0.36 1.14 0.24 4.97 2.02 -1.26 -5.00 118.70 121.17 1i17 s GLU 43 Ca -0.01 -2.06 0.14 0.00 0.02 0.00 0.00 54.97 53.07 1i17 s GLU 43 Cb -0.04 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.28 1i17 s GLU 43 CO -0.00 -1.27 1.37 0.78 0.02 0.00 0.00 175.26 176.17 1i17 h GLY 44 N 6.25 0.00 -5.45 -1.39 0.00 -1.93 -3.46 103.07 97.09 1i17 h GLY 44 Ca 0.12 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.91 1i17 h GLY 44 CO 0.42 0.00 1.22 0.00 0.00 0.00 0.00 176.54 178.18 1i17 n SER 46 N 7.73 0.00 -4.87 0.00 3.41 -1.26 -5.14 113.62 113.49 1i17 n SER 46 Ca 0.20 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.46 1i17 n SER 46 Cb 0.42 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1i17 n SER 46 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1i17 s GLU 47 N -0.23 3.77 0.50 4.33 0.41 -1.26 -5.00 118.70 121.22 1i17 s GLU 47 Ca 0.00 0.18 0.21 0.00 -0.41 0.00 0.00 54.97 54.95 1i17 s GLU 47 Cb 0.00 -2.98 1.28 0.00 -1.78 0.00 0.00 34.13 30.65 1i17 s GLU 47 CO 0.00 0.55 2.00 0.00 -0.49 0.00 0.00 175.26 177.32 1i17 h ALA 48 N 3.65 2.32 0.00 5.21 0.00 -2.01 -1.64 119.26 126.80 1i17 h ALA 48 Ca -0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1i17 h ALA 48 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i17 h ALA 48 CO 0.67 -0.46 -0.15 -0.91 0.00 0.00 0.00 179.25 178.40 1i17 h ASN 49 N 0.12 0.00 -4.18 0.00 4.21 -1.97 -3.41 115.58 110.35 1i17 h ASN 49 Ca 0.25 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 57.23 1i17 h ASN 49 Cb 0.81 0.00 0.15 0.00 -1.12 0.00 0.00 38.32 38.15 1i17 h ASN 49 CO -0.03 0.15 0.38 0.54 -1.29 0.00 0.00 177.43 177.18 1i17 s VAL 50 N -3.86 2.50 0.33 2.81 0.11 -0.62 -5.07 120.40 116.60 1i17 s VAL 50 Ca -0.01 0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 1i17 s VAL 50 Cb 0.11 -2.78 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 1i17 s VAL 50 CO 0.59 -0.14 0.09 0.42 -3.33 0.00 0.00 175.10 172.74 1i17 s THR 51 N -2.08 0.84 0.08 5.04 -4.23 -1.26 -4.85 115.64 109.18 1i17 s THR 51 Ca 0.72 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.99 1i17 s THR 51 Cb -0.27 -2.63 -0.16 0.00 1.34 0.00 0.00 72.50 70.78 1i17 s THR 51 CO 0.45 0.00 1.69 0.50 -0.54 0.00 0.00 174.62 176.72 1i17 h LYS 52 N 2.09 -0.10 -0.60 3.99 3.64 -1.98 -0.51 116.57 123.11 1i17 h LYS 52 Ca -0.38 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1i17 h LYS 52 Cb 1.25 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 1i17 h LYS 52 CO 0.63 -0.03 0.11 0.93 -2.27 0.00 0.00 179.45 178.82 1i17 h GLU 53 N -0.14 0.23 0.63 1.90 5.08 -1.99 0.68 114.58 120.97 1i17 h GLU 53 Ca -0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1i17 h GLU 53 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1i17 h GLU 53 CO 0.02 0.15 -0.40 0.52 -1.00 0.00 0.00 179.01 178.30 1i17 h MET 54 N 0.24 -0.93 0.03 2.33 2.86 -1.96 -2.82 114.93 114.68 1i17 h MET 54 Ca 0.31 0.06 0.02 0.00 -2.06 0.00 0.00 59.70 58.03 1i17 h MET 54 Cb 0.47 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1i17 h MET 54 CO -0.42 -0.62 -0.13 1.25 1.06 0.00 0.00 176.91 178.06 1i17 h LEU 55 N -0.97 -0.35 -0.26 1.22 6.46 -0.44 -0.79 115.31 120.19 1i17 h LEU 55 Ca -0.08 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1i17 h LEU 55 Cb 0.79 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 1i17 h LEU 55 CO 0.07 -0.18 0.15 0.58 -0.62 0.00 0.00 178.44 178.44 1i17 h VAL 56 N -0.23 1.10 0.01 1.05 2.07 -0.99 0.16 116.25 119.42 1i17 h VAL 56 Ca 0.03 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1i17 h VAL 56 Cb 0.27 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1i17 h VAL 56 CO -0.10 0.09 -0.09 0.74 0.02 0.00 0.00 177.57 178.23 1i17 h THR 57 N 0.32 0.77 -0.78 2.57 2.02 -1.44 -1.35 112.91 115.02 1i17 h THR 57 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1i17 h THR 57 Cb 0.02 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1i17 h THR 57 CO -0.02 0.00 0.52 -1.28 0.37 0.00 0.00 175.52 175.11 1i17 h SER 58 N -0.16 0.89 -0.10 4.18 0.87 -0.91 -1.53 113.55 116.79 1i17 h SER 58 Ca 0.03 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1i17 h SER 58 Cb 0.20 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1i17 h SER 58 CO -0.09 0.65 -0.03 0.00 -0.53 0.00 0.00 176.83 176.83 1i17 h VAL 60 N -0.01 0.76 -0.46 0.00 2.07 -1.05 0.73 116.25 118.30 1i17 h VAL 60 Ca 0.05 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1i17 h VAL 60 Cb 0.09 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1i17 h VAL 60 CO -0.11 0.02 0.28 0.78 0.02 0.00 0.00 177.57 178.57 1i17 h ASN 61 N 0.12 0.46 -0.42 0.57 2.35 -1.03 -1.26 115.58 116.39 1i17 h ASN 61 Ca 0.17 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1i17 h ASN 61 Cb 0.22 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1i17 h ASN 61 CO -0.27 0.33 0.26 0.00 -1.65 0.00 0.00 177.43 176.10 1i17 h ALA 62 N 1.20 0.53 -0.34 -0.83 0.00 -0.39 -2.27 119.26 117.16 1i17 h ALA 62 Ca 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1i17 h ALA 62 Cb -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1i17 h ALA 62 CO -0.07 0.01 0.08 1.15 0.00 0.00 0.00 179.25 180.42 1i17 h THR 63 N 0.55 0.85 0.06 0.00 2.02 -0.64 0.21 112.91 115.96 1i17 h THR 63 Ca 0.15 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1i17 h THR 63 Cb -0.01 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1i17 h THR 63 CO -0.03 0.04 -0.53 1.56 0.37 0.00 0.00 175.52 176.93 1i17 h GLN 64 N 0.21 -0.69 -0.87 6.66 4.20 -1.12 -2.17 115.11 121.33 1i17 h GLN 64 Ca 0.16 0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1i17 h GLN 64 Cb 0.16 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 1i17 h GLN 64 CO -0.19 -0.46 0.53 0.00 -0.67 0.00 0.00 178.83 178.04 1i17 h ALA 65 N -0.46 1.22 -0.32 3.87 0.00 -1.09 -2.64 119.26 119.83 1i17 h ALA 65 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1i17 h ALA 65 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1i17 h ALA 65 CO -0.33 0.24 -0.38 0.00 0.00 0.00 0.00 179.25 178.78 1i17 h ALA 66 N 1.43 0.74 -0.70 0.00 0.00 -0.89 -3.37 119.26 116.48 1i17 h ALA 66 Ca 0.39 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 54.36 1i17 h ALA 66 Cb 0.24 -0.12 -0.42 0.00 0.00 0.00 0.00 17.79 17.50 1i17 h ALA 66 CO -0.20 0.66 -0.85 0.09 0.00 0.00 0.00 179.25 178.95 1i17 n ASN 67 N -4.05 4.47 -0.16 0.00 3.02 -0.82 -4.86 115.26 112.86 1i17 n ASN 67 Ca -0.02 -3.55 -0.02 0.00 -0.03 0.00 0.00 54.58 50.96 1i17 n ASN 67 Cb 0.52 -0.36 0.06 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.17 -0.21 3.52 4.20 -1.65 -2.71 115.11 120.65 1i17 h GLN 68 Ca 0.30 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.05 1i17 h GLN 68 Cb 1.50 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.20 1i17 h GLN 68 CO 0.68 0.11 -0.07 0.00 -0.67 0.00 0.00 178.83 178.88 1i17 h ALA 69 N 1.41 0.11 -0.10 3.87 0.00 -1.90 -0.65 119.26 122.00 1i17 h ALA 69 Ca 0.25 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1i17 h ALA 69 Cb 0.35 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1i17 h ALA 69 CO -0.36 -0.49 -0.26 0.93 0.00 0.00 0.00 179.25 179.07 1i17 h GLU 70 N -0.03 -0.33 0.67 0.00 4.39 -1.90 -1.18 114.58 116.21 1i17 h GLU 70 Ca 0.10 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1i17 h GLU 70 Cb 0.19 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1i17 h GLU 70 CO -0.23 -0.22 -0.36 0.74 -1.16 0.00 0.00 179.01 177.79 1i17 h PHE 71 N -0.34 -0.93 -0.44 4.33 0.04 -1.45 -3.05 116.94 115.10 1i17 h PHE 71 Ca 0.09 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.92 1i17 h PHE 71 Cb 0.48 0.32 -0.07 0.00 2.20 0.00 0.00 35.95 38.88 1i17 h PHE 71 CO -0.34 -0.56 0.04 0.77 -0.60 0.00 0.00 178.31 177.62 1i17 h SER 72 N -0.95 -0.09 0.47 2.17 0.02 -0.94 -0.85 113.55 113.38 1i17 h SER 72 Ca -0.09 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1i17 h SER 72 Cb 0.74 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1i17 h SER 72 CO 0.13 -0.01 -0.34 0.03 -1.14 0.00 0.00 176.83 175.49 1i17 h ARG 73 N 0.16 -0.77 -0.16 3.45 3.08 -1.30 -3.33 114.38 115.51 1i17 h ARG 73 Ca 0.22 0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 1i17 h ARG 73 Cb 0.30 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1i17 h ARG 73 CO -0.33 -0.51 -0.11 0.93 -1.07 0.00 0.00 179.97 178.88 1i17 h GLU 74 N -0.80 0.35 -1.29 0.04 5.08 -1.39 -3.33 114.58 113.24 1i17 h GLU 74 Ca -0.05 -0.17 0.40 0.00 -1.00 0.00 0.00 59.36 58.54 1i17 h GLU 74 Cb 0.67 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 1i17 h GLU 74 CO 0.02 0.70 0.84 -0.22 -1.00 0.00 0.00 179.01 179.35 1i17 h LYS 75 N 0.00 0.13 -0.95 2.33 3.64 -1.26 0.17 116.57 120.64 1i17 h LYS 75 Ca 0.03 -0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.62 1i17 h LYS 75 Cb 0.62 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.33 1i17 h LYS 75 CO 0.03 0.09 0.62 1.96 -2.27 0.00 0.00 179.45 179.88 1i17 h GLN 76 N 0.14 0.42 0.00 1.90 1.08 -1.70 -3.38 115.11 113.57 1i17 h GLN 76 Ca 0.77 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.94 1i17 h GLN 76 Cb 2.40 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.73 1i17 h GLN 76 CO -0.35 0.28 -0.34 -3.47 -0.95 0.00 0.00 178.83 173.99 1i17 n ASP 77 N -4.55 1.37 -2.51 1.46 2.03 -0.41 -4.93 116.55 109.01 1i17 n ASP 77 Ca 0.21 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.29 1i17 n ASP 77 Cb 0.73 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.02 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 -1.83 6.62 -0.10 1.67 2.88 0.46 -4.74 113.62 118.58 1i17 n SER 78 Ca 0.00 -2.53 -0.06 0.00 -1.33 0.00 0.00 58.87 54.95 1i17 n SER 78 Cb 0.17 -1.47 0.01 0.00 -0.75 0.00 0.00 64.21 62.18 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 3.76 0.13 -0.06 -1.46 6.56 -1.81 -2.21 116.57 121.48 1i17 h LYS 79 Ca 0.46 -0.01 0.02 0.00 -1.06 0.00 0.00 60.65 60.06 1i17 h LYS 79 Cb 1.03 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.64 1i17 h LYS 79 CO 0.84 0.09 -0.04 1.25 -2.06 0.00 0.00 179.45 179.52 1i17 h LEU 80 N 0.13 -0.14 -0.59 2.94 5.85 -1.98 -3.20 115.31 118.33 1i17 h LEU 80 Ca 0.17 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1i17 h LEU 80 Cb 0.22 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 1i17 h LEU 80 CO -0.26 -0.06 0.03 -0.74 -0.34 0.00 0.00 178.44 177.07 1i17 h HIS 81 N -0.05 0.02 -0.53 1.25 2.76 -1.80 -2.52 115.15 114.27 1i17 h HIS 81 Ca 0.04 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.34 1i17 h HIS 81 Cb 0.11 0.08 -0.10 0.00 1.55 0.00 0.00 27.41 29.05 1i17 h HIS 81 CO -0.15 -0.12 -0.39 1.96 -1.30 0.00 0.00 177.93 177.93 1i17 h GLN 82 N 0.15 -0.22 0.24 5.26 1.08 -1.47 0.13 115.11 120.27 1i17 h GLN 82 Ca 0.31 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1i17 h GLN 82 Cb 0.48 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1i17 h GLN 82 CO -0.48 -0.15 -0.21 0.00 -0.95 0.00 0.00 178.83 177.04 1i17 h ARG 83 N -0.23 -0.46 -0.01 1.46 -0.00 -1.55 -0.28 114.38 113.31 1i17 h ARG 83 Ca 0.19 0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.72 1i17 h ARG 83 Cb 0.56 0.10 -0.03 0.00 0.00 0.00 0.00 29.97 30.61 1i17 h ARG 83 CO -0.65 -0.31 -0.12 0.28 0.00 0.00 0.00 179.97 179.18 1i17 h VAL 84 N -0.48 0.70 -0.32 2.04 2.07 -1.37 -1.94 116.25 116.95 1i17 h VAL 84 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1i17 h VAL 84 Cb 0.44 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1i17 h VAL 84 CO -0.04 0.00 0.01 0.25 0.02 0.00 0.00 177.57 177.82 1i17 h LEU 85 N -0.20 -0.10 -0.53 2.57 5.85 -0.62 -1.21 115.31 121.07 1i17 h LEU 85 Ca 0.05 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1i17 h LEU 85 Cb 0.26 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1i17 h LEU 85 CO -0.12 -0.01 0.30 -0.50 -0.34 0.00 0.00 178.44 177.76 1i17 h TRP 86 N 0.11 0.71 -0.52 1.25 4.06 -0.93 0.58 115.95 121.21 1i17 h TRP 86 Ca 0.16 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.13 1i17 h TRP 86 Cb 0.20 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.09 1i17 h TRP 86 CO -0.22 0.51 0.28 -0.09 -3.56 0.00 0.00 178.44 175.37 1i17 h ARG 87 N 0.71 0.54 0.26 0.49 9.65 -1.10 -0.25 114.38 124.68 1i17 h ARG 87 Ca 0.19 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1i17 h ARG 87 Cb 0.02 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1i17 h ARG 87 CO -0.03 0.36 -0.13 1.25 2.80 0.00 0.00 179.97 184.22 1i17 h LEU 88 N 0.55 -0.30 -0.34 3.80 7.12 -1.05 -1.04 115.31 124.05 1i17 h LEU 88 Ca 0.22 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.32 1i17 h LEU 88 Cb 0.09 0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.23 1i17 h LEU 88 CO -0.13 -0.22 -0.16 0.40 -0.13 0.00 0.00 178.44 178.20 1i17 h ILE 89 N -0.35 0.51 -0.69 4.05 2.04 -0.73 -1.93 117.51 120.41 1i17 h ILE 89 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1i17 h ILE 89 Cb 0.27 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1i17 h ILE 89 CO 0.06 0.00 0.41 0.50 0.00 0.00 0.00 178.15 179.12 1i17 h LYS 90 N -0.10 0.75 -0.19 2.37 3.64 -0.98 0.46 116.57 122.52 1i17 h LYS 90 Ca 0.17 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1i17 h LYS 90 Cb 0.36 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1i17 h LYS 90 CO -0.40 0.50 -0.19 1.49 -2.27 0.00 0.00 179.45 178.57 1i17 h GLU 91 N 0.77 -0.20 0.01 1.90 4.57 -0.66 0.73 114.58 121.70 1i17 h GLU 91 Ca 0.30 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1i17 h GLU 91 Cb 0.12 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1i17 h GLU 91 CO -0.15 -0.13 -0.02 0.82 -1.18 0.00 0.00 179.01 178.35 1i17 h ILE 92 N -0.21 0.96 -0.62 2.32 2.04 -0.99 -1.09 117.51 119.92 1i17 h ILE 92 Ca 0.12 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.06 1i17 h ILE 92 Cb 0.39 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 1i17 h ILE 92 CO -0.31 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.11 1i17 h SER 94 N 0.49 0.39 -0.83 0.00 0.87 -0.72 -3.28 113.55 110.48 1i17 h SER 94 Ca 0.30 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1i17 h SER 94 Cb 0.32 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1i17 h SER 94 CO -0.26 0.28 0.52 0.00 -0.53 0.00 0.00 176.83 176.84 1i17 h ALA 95 N 1.19 1.11 0.00 6.23 0.00 -0.54 -3.29 119.26 123.96 1i17 h ALA 95 Ca 0.17 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 1i17 h ALA 95 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1i17 h ALA 95 CO -0.08 0.32 1.44 0.36 0.00 0.00 0.00 179.25 181.28 1i17 n LYS 96 N -4.60 1.98 -2.02 0.00 2.85 -1.02 -4.95 118.16 110.40 1i17 n LYS 96 Ca 0.11 -1.19 -0.36 0.00 -1.05 0.00 0.00 58.31 55.82 1i17 n LYS 96 Cb 0.12 -2.20 0.03 0.00 -0.65 0.00 0.00 35.03 32.33 1i17 n LYS 96 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1i17 s HIS 97 N 2.32 2.43 -0.09 5.58 -3.43 -1.24 -4.91 115.29 115.95 1i17 s HIS 97 Ca 0.48 1.50 -0.22 0.00 -0.80 0.00 0.00 55.06 56.02 1i17 s HIS 97 Cb 0.17 -3.50 -0.04 0.00 -1.43 0.00 0.00 32.58 27.79 1i17 s HIS 97 CO -0.02 -2.20 0.64 0.00 -2.00 0.00 0.00 174.74 171.15 1i17 h ASP 99 N 6.83 0.28 0.54 0.00 2.03 -2.03 -3.17 116.42 120.90 1i17 h ASP 99 Ca -0.40 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1i17 h ASP 99 Cb 1.19 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1i17 h ASP 99 CO 0.76 0.44 0.00 2.22 -1.03 0.00 0.00 179.24 181.63 1i17 n PHE 100 N -4.26 0.00 -1.68 4.15 1.16 -1.26 -4.93 117.46 110.64 1i17 n PHE 100 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 57.45 55.07 1i17 n PHE 100 Cb 0.28 -0.29 -0.05 0.00 -1.61 0.00 0.00 39.48 37.81 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 -1.29 2.22 -1.54 2.97 8.01 -1.20 -4.96 117.44 121.65 1i17 n TRP 101 Ca 0.13 0.18 -0.30 0.00 -1.31 0.00 0.00 57.50 56.20 1i17 n TRP 101 Cb 0.23 -2.59 0.10 0.00 -2.01 0.00 0.00 31.31 27.03 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 3.48 2.54 -0.44 -0.99 1.43 -1.26 -4.98 118.68 118.46 1i17 s LEU 102 Ca 0.92 1.28 -0.28 0.00 -1.03 0.00 0.00 54.13 55.03 1i17 s LEU 102 Cb -0.80 -3.86 -0.02 0.00 0.03 0.00 0.00 46.19 41.53 1i17 s LEU 102 CO 0.54 -2.04 1.89 -1.61 0.23 0.00 0.00 176.35 175.35 1i17 s GLU 103 N -5.16 2.98 0.66 1.70 2.02 -1.26 -4.99 118.70 114.65 1i17 s GLU 103 Ca 0.61 1.17 -0.14 0.00 0.02 0.00 0.00 54.97 56.63 1i17 s GLU 103 Cb -0.15 -4.30 -0.00 0.00 0.10 0.00 0.00 34.13 29.78 1i17 s GLU 103 CO 0.54 -2.29 1.09 1.03 0.02 0.00 0.00 175.26 175.65 1i17 s ARG 104 N 6.38 2.89 -0.01 1.61 0.52 -1.26 -5.09 118.95 123.99 1i17 s ARG 104 Ca 0.78 1.26 -0.28 0.00 -0.52 0.00 0.00 55.73 56.96 1i17 s ARG 104 Cb -0.19 -1.97 0.10 0.00 0.52 0.00 0.00 34.95 33.41 1i17 s ARG 104 CO 0.29 -1.16 0.82 0.20 0.02 0.00 0.00 175.30 175.47 1i17 s GLY 105 N -2.88 -0.47 0.20 -3.53 0.00 -1.26 -5.20 107.32 94.17 1i17 s GLY 105 Ca 0.64 1.15 -0.09 0.00 0.00 0.00 0.00 44.72 46.42 1i17 s GLY 105 CO 0.43 0.53 0.33 0.00 0.00 0.00 0.00 173.10 174.39 1i17 s ALA 106 N -2.58 0.08 0.00 3.20 0.00 -1.26 -5.31 121.76 115.89 1i17 s ALA 106 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1i17 s ALA 106 Cb -0.01 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.12 1i17 s ALA 106 CO -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 175.76 175.00