#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 3.00 0.24 5.15 0.11 -1.26 -5.01 120.40 122.63 1i17 s VAL 2 Ca 0.00 0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 59.36 1i17 s VAL 2 Cb 0.00 -3.23 -0.10 0.00 -1.53 0.00 0.00 36.38 31.52 1i17 s VAL 2 CO 0.00 -0.15 1.39 0.00 -3.33 0.00 0.00 175.10 173.01 1i17 s ALA 3 N -1.76 3.59 -0.05 1.54 0.00 -1.26 -4.93 121.76 118.88 1i17 s ALA 3 Ca 0.74 1.25 0.30 0.00 0.00 0.00 0.00 51.96 54.25 1i17 s ALA 3 Cb -0.26 -3.53 1.39 0.00 0.00 0.00 0.00 23.12 20.72 1i17 s ALA 3 CO 0.30 -0.67 1.90 1.05 0.00 0.00 0.00 175.76 178.34 1i17 h GLU 4 N 5.05 0.00 -2.18 0.00 9.09 -2.01 -2.93 114.58 121.61 1i17 h GLU 4 Ca -0.46 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.41 1i17 h GLU 4 Cb 1.22 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 27.90 1i17 h GLU 4 CO 0.77 0.00 -0.85 -1.71 0.05 0.00 0.00 179.01 177.26 1i17 n ASN 5 N -2.65 3.09 -4.77 3.06 5.15 -1.26 -5.05 115.26 112.84 1i17 n ASN 5 Ca 0.00 -3.43 -0.31 0.00 -0.60 0.00 0.00 54.58 50.24 1i17 n ASN 5 Cb 0.19 -0.58 0.09 0.00 -0.53 0.00 0.00 39.78 38.95 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 -3.08 2.25 -0.19 1.20 1.70 -1.11 -4.87 118.95 114.85 1i17 s ARG 6 Ca 0.46 1.18 -0.40 0.00 -0.47 0.00 0.00 55.73 56.50 1i17 s ARG 6 Cb 0.31 -1.90 -0.16 0.00 -0.57 0.00 0.00 34.95 32.63 1i17 s ARG 6 CO -0.12 -1.65 1.63 -2.30 -1.08 0.00 0.00 175.30 171.78 1i17 n PRO 7 N -3.51 1.09 0.00 3.89 -0.02 -1.26 -1.62 135.00 133.57 1i17 n PRO 7 Ca 0.09 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1i17 n PRO 7 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.72 2.30 3.75 -1.23 0.00 0.71 -4.58 105.19 109.86 1i17 n GLY 8 Ca 0.24 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 s ALA 9 N -2.12 3.77 0.61 4.61 0.00 -0.64 -4.24 121.76 123.76 1i17 s ALA 9 Ca 0.00 1.58 -0.19 0.00 0.00 0.00 0.00 51.96 53.35 1i17 s ALA 9 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1i17 s ALA 9 CO 0.00 -0.98 1.30 -0.06 0.00 0.00 0.00 175.76 176.02 1i17 s PHE 10 N 0.16 2.17 -0.38 0.00 0.08 -1.26 -0.93 117.98 117.81 1i17 s PHE 10 Ca 0.65 1.45 0.03 0.00 0.12 0.00 0.00 56.93 59.18 1i17 s PHE 10 Cb -0.48 -3.71 0.11 0.00 -0.57 0.00 0.00 43.02 38.37 1i17 s PHE 10 CO 0.46 -2.86 0.11 0.42 -0.10 0.00 0.00 175.22 173.26 1i17 s ILE 11 N -1.38 2.07 -1.03 0.64 1.01 0.04 -4.78 121.20 117.76 1i17 s ILE 11 Ca 0.79 -2.43 -0.15 0.00 0.00 0.00 0.00 60.65 58.86 1i17 s ILE 11 Cb -0.38 -2.51 0.17 0.00 0.01 0.00 0.00 42.46 39.75 1i17 s ILE 11 CO 0.41 -0.67 1.19 -0.54 0.00 0.00 0.00 174.94 175.32 1i17 s LYS 12 N 0.72 3.84 0.25 2.79 1.02 -1.26 -0.94 119.74 126.15 1i17 s LYS 12 Ca 0.13 -2.31 0.12 0.00 0.02 0.00 0.00 55.97 53.93 1i17 s LYS 12 Cb -0.21 -4.86 0.16 0.00 -0.52 0.00 0.00 37.83 32.40 1i17 s LYS 12 CO -0.08 -1.65 1.48 1.96 -0.92 0.00 0.00 175.35 176.15 1i17 h GLN 13 N 7.85 0.00 -0.12 1.68 4.20 -1.94 -3.48 115.11 123.31 1i17 h GLN 13 Ca 0.21 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 1i17 h GLN 13 Cb 0.96 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1i17 h GLN 13 CO 1.10 0.66 -0.05 0.41 -0.67 0.00 0.00 178.83 180.28 1i17 n GLY 14 N 0.88 0.58 3.73 3.46 0.00 -1.26 -5.03 105.19 107.54 1i17 n GLY 14 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.77 4.37 -0.72 1.61 3.52 -1.26 -4.51 118.95 120.19 1i17 s ARG 15 Ca 0.00 2.04 -0.27 0.00 -0.13 0.00 0.00 55.73 57.37 1i17 s ARG 15 Cb 0.00 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 30.18 1i17 s ARG 15 CO 0.00 -0.33 1.44 0.21 -0.81 0.00 0.00 175.30 175.82 1i17 s LYS 16 N 0.46 3.05 1.04 5.12 2.20 -1.26 -4.91 119.74 125.44 1i17 s LYS 16 Ca 0.60 -0.05 -0.16 0.00 -0.36 0.00 0.00 55.97 56.00 1i17 s LYS 16 Cb -0.36 -4.28 0.21 0.00 -1.51 0.00 0.00 37.83 31.89 1i17 s LYS 16 CO 0.34 -2.32 1.17 -0.51 -0.36 0.00 0.00 175.35 173.68 1i17 s LEU 17 N 6.62 1.69 -0.42 5.43 1.43 -1.26 -5.07 118.68 127.10 1i17 s LEU 17 Ca 0.44 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 1i17 s LEU 17 Cb -0.09 -2.70 0.12 0.00 0.03 0.00 0.00 46.19 43.55 1i17 s LEU 17 CO 0.15 -3.21 0.18 -0.62 0.23 0.00 0.00 176.35 173.09 1i17 s ASP 18 N -4.17 4.13 -0.03 2.29 2.15 -1.26 -5.06 116.67 114.73 1i17 s ASP 18 Ca 0.69 -2.46 0.02 0.00 0.43 0.00 0.00 52.55 51.23 1i17 s ASP 18 Cb -0.10 -1.30 0.01 0.00 -0.30 0.00 0.00 42.92 41.23 1i17 s ASP 18 CO 0.54 -0.31 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.55 1i17 s ILE 19 N 0.51 0.56 -0.66 4.11 1.01 -1.26 -5.11 121.20 120.37 1i17 s ILE 19 Ca 0.15 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 1i17 s ILE 19 Cb -0.23 -0.52 0.06 0.00 0.01 0.00 0.00 42.46 41.78 1i17 s ILE 19 CO -0.06 0.19 1.03 -0.62 0.00 0.00 0.00 174.94 175.49 1i17 s ASP 20 N 0.38 6.20 0.05 3.58 2.15 -1.26 -4.85 116.67 122.92 1i17 s ASP 20 Ca -0.05 -0.75 -0.08 0.00 0.43 0.00 0.00 52.55 52.10 1i17 s ASP 20 Cb -0.09 -2.45 -0.31 0.00 -0.30 0.00 0.00 42.92 39.77 1i17 s ASP 20 CO 0.00 -1.49 1.06 -0.26 -0.17 0.00 0.00 175.17 174.32 1i17 h PHE 21 N 9.62 0.67 0.00 -5.34 0.04 -1.98 -3.50 116.94 116.45 1i17 h PHE 21 Ca -0.28 -0.49 0.00 0.00 2.80 0.00 0.00 57.97 60.00 1i17 h PHE 21 Cb 1.07 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1i17 h PHE 21 CO 0.99 1.40 0.00 0.41 -0.60 0.00 0.00 178.31 180.51 1i17 n GLY 22 N 1.61 3.04 0.26 -1.45 0.00 -1.26 -4.79 105.19 102.60 1i17 n GLY 22 Ca -0.12 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 43.95 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 0.78 0.48 4.61 0.00 -1.99 0.16 119.26 123.30 1i17 h ALA 23 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1i17 h ALA 23 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1i17 h ALA 23 CO 0.00 -0.38 -0.23 0.93 0.00 0.00 0.00 179.25 179.57 1i17 h GLU 24 N 0.17 -0.62 -0.31 0.00 5.08 -2.00 -3.16 114.58 113.73 1i17 h GLU 24 Ca 0.38 0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.66 1i17 h GLU 24 Cb 0.65 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1i17 h GLU 24 CO -0.56 -0.35 -0.32 0.78 -1.00 0.00 0.00 179.01 177.56 1i17 h GLY 25 N -0.78 0.74 0.73 -3.84 0.00 -1.64 -1.54 103.07 96.73 1i17 h GLY 25 Ca -0.07 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.60 1i17 h GLY 25 CO 0.11 0.62 -0.09 3.43 0.00 0.00 0.00 176.54 180.61 1i17 h ASN 26 N 0.58 -0.26 -0.26 0.19 2.35 -0.84 0.57 115.58 117.90 1i17 h ASN 26 Ca 0.06 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1i17 h ASN 26 Cb 0.83 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 1i17 h ASN 26 CO 0.07 -0.13 0.17 0.03 -1.65 0.00 0.00 177.43 175.92 1i17 h ARG 27 N -0.14 0.34 0.40 0.81 3.08 -1.49 -1.76 114.38 115.62 1i17 h ARG 27 Ca 0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1i17 h ARG 27 Cb 0.20 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1i17 h ARG 27 CO -0.12 0.22 -0.22 -0.92 -1.07 0.00 0.00 179.97 177.86 1i17 h TYR 28 N 0.35 -0.58 -0.09 3.04 3.20 -1.11 -2.96 116.97 118.82 1i17 h TYR 28 Ca 0.09 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1i17 h TYR 28 Cb -0.04 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1i17 h TYR 28 CO -0.06 -0.35 -0.09 -0.92 -1.64 0.00 0.00 178.16 175.10 1i17 h TYR 29 N -0.59 -0.21 -1.03 -3.82 3.20 -0.89 -0.91 116.97 112.72 1i17 h TYR 29 Ca -0.05 0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.12 1i17 h TYR 29 Cb 0.47 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 1i17 h TYR 29 CO -0.07 -0.13 0.72 0.00 -1.64 0.00 0.00 178.16 177.04 1i17 h ALA 30 N 0.96 2.79 0.00 1.82 0.00 -1.31 0.78 119.26 124.30 1i17 h ALA 30 Ca 0.07 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1i17 h ALA 30 Cb 0.20 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1i17 h ALA 30 CO -0.15 -1.10 -1.60 0.00 0.00 0.00 0.00 179.25 176.40 1i17 n ALA 31 N -2.67 1.94 -0.25 0.00 0.00 -0.96 -4.69 120.51 113.88 1i17 n ALA 31 Ca 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1i17 n ALA 31 Cb 1.03 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.82 1.26 -0.39 0.00 3.02 -0.39 -4.88 115.26 111.07 1i17 n ASN 32 Ca -0.12 -1.51 0.31 0.00 -0.03 0.00 0.00 54.58 53.23 1i17 n ASN 32 Cb 0.86 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 40.62 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 0.58 -1.01 3.10 -0.00 -1.12 -2.02 116.97 116.50 1i17 h TYR 33 Ca 0.00 0.02 0.25 0.00 -0.00 0.00 0.00 58.73 59.01 1i17 h TYR 33 Cb 0.46 -0.15 -0.08 0.00 -0.00 0.00 0.00 36.73 36.96 1i17 h TYR 33 CO 0.00 -0.10 0.66 0.11 -0.00 0.00 0.00 178.16 178.84 1i17 h TRP 34 N 0.21 0.55 -0.20 0.10 5.08 -1.87 -2.36 115.95 117.46 1i17 h TRP 34 Ca 0.72 0.02 -0.14 0.00 1.08 0.00 0.00 58.89 60.57 1i17 h TRP 34 Cb 2.11 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 28.10 1i17 h TRP 34 CO -0.00 0.08 -0.47 1.96 -1.28 0.00 0.00 178.44 178.73 1i17 h GLN 35 N 0.35 0.51 -7.20 0.12 4.20 -1.75 -3.42 115.11 107.92 1i17 h GLN 35 Ca 0.55 -0.28 -0.50 0.00 0.06 0.00 0.00 58.65 58.48 1i17 h GLN 35 Cb 1.48 0.02 0.08 0.00 0.30 0.00 0.00 27.48 29.36 1i17 h GLN 35 CO -0.23 0.87 0.38 -0.06 -0.67 0.00 0.00 178.83 179.12 1i17 s PHE 36 N -4.12 2.86 0.18 2.96 0.40 -0.89 -5.04 117.98 114.33 1i17 s PHE 36 Ca -0.07 1.52 -0.30 0.00 -0.60 0.00 0.00 56.93 57.48 1i17 s PHE 36 Cb 0.12 -3.06 -0.08 0.00 0.51 0.00 0.00 43.02 40.51 1i17 s PHE 36 CO 0.82 -1.33 1.17 -1.25 0.70 0.00 0.00 175.22 175.34 1i17 s PRO 37 N -4.13 4.51 -0.04 0.24 0.04 -1.26 -4.44 135.00 129.93 1i17 s PRO 37 Ca 0.65 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 1i17 s PRO 37 Cb -0.18 -3.25 -0.28 0.00 0.04 0.00 0.00 34.50 30.83 1i17 s PRO 37 CO 0.39 -0.05 0.71 0.22 0.04 0.00 0.00 177.00 178.31 1i17 h ASP 38 N 5.24 0.43 -4.13 6.66 3.58 -1.39 -3.48 116.42 123.32 1i17 h ASP 38 Ca -0.44 -0.68 -0.45 0.00 0.42 0.00 0.00 57.03 55.89 1i17 h ASP 38 Cb 1.21 -0.14 -0.14 0.00 1.72 0.00 0.00 39.33 41.99 1i17 h ASP 38 CO 0.74 1.58 -0.56 -0.83 -2.88 0.00 0.00 179.24 177.28 1i17 s GLY 39 N -5.12 2.14 -0.06 -0.78 0.00 -0.80 -5.00 107.32 97.70 1i17 s GLY 39 Ca -0.13 -1.70 -0.01 0.00 0.00 0.00 0.00 44.72 42.88 1i17 s GLY 39 CO 0.84 -1.68 -0.01 -0.42 0.00 0.00 0.00 173.10 171.84 1i17 s ILE 40 N -3.49 0.36 -0.47 0.90 1.01 -1.26 -0.78 121.20 117.46 1i17 s ILE 40 Ca 0.33 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.78 1i17 s ILE 40 Cb 0.05 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 1i17 s ILE 40 CO 0.16 0.23 1.73 -0.47 0.00 0.00 0.00 174.94 176.59 1i17 s TYR 41 N 1.58 1.88 -0.11 3.97 5.04 -0.10 -4.96 117.35 124.65 1i17 s TYR 41 Ca -0.01 0.68 -0.17 0.00 -2.44 0.00 0.00 57.07 55.12 1i17 s TYR 41 Cb -0.13 -4.17 0.04 0.00 0.35 0.00 0.00 41.96 38.06 1i17 s TYR 41 CO -0.03 -2.48 0.43 -0.47 -1.34 0.00 0.00 175.55 171.66 1i17 s TYR 42 N 7.43 -0.42 -0.48 4.97 5.04 -1.26 -0.21 117.35 132.43 1i17 s TYR 42 Ca 0.70 0.92 0.03 0.00 -2.44 0.00 0.00 57.07 56.28 1i17 s TYR 42 Cb -0.16 0.17 0.16 0.00 0.35 0.00 0.00 41.96 42.48 1i17 s TYR 42 CO 0.28 -0.33 0.33 -1.21 -1.34 0.00 0.00 175.55 173.28 1i17 s GLU 43 N -0.39 1.31 -0.13 4.97 2.02 -1.26 -5.00 118.70 120.21 1i17 s GLU 43 Ca -0.05 -2.26 -0.11 0.00 0.02 0.00 0.00 54.97 52.57 1i17 s GLU 43 Cb -0.03 -2.10 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 1i17 s GLU 43 CO 0.03 -1.28 0.12 0.78 0.02 0.00 0.00 175.26 174.93 1i17 h GLY 44 N 6.06 0.00 -3.57 -1.39 0.00 -2.00 -3.48 103.07 98.69 1i17 h GLY 44 Ca 0.14 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.93 1i17 h GLY 44 CO 0.46 0.00 0.67 0.00 0.00 0.00 0.00 176.54 177.68 1i17 n SER 46 N 0.17 -0.36 -4.12 0.00 3.41 -1.26 -5.15 113.62 106.31 1i17 n SER 46 Ca 0.03 0.17 -0.08 0.00 -0.26 0.00 0.00 58.87 58.72 1i17 n SER 46 Cb 0.42 0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.75 0.56 4.33 -1.05 -1.26 -5.07 118.70 114.96 1i17 s GLU 47 Ca 0.00 -1.32 0.30 0.00 -0.15 0.00 0.00 54.97 53.81 1i17 s GLU 47 Cb 0.00 0.19 1.46 0.00 -0.44 0.00 0.00 34.13 35.34 1i17 s GLU 47 CO 0.00 -0.16 1.88 0.00 0.95 0.00 0.00 175.26 177.93 1i17 h ALA 48 N 3.02 2.62 0.00 -0.84 0.00 -1.99 -1.01 119.26 121.06 1i17 h ALA 48 Ca -0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1i17 h ALA 48 Cb 1.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1i17 h ALA 48 CO 0.63 -0.98 -0.11 -0.91 0.00 0.00 0.00 179.25 177.89 1i17 h ASN 49 N 0.00 0.00 -2.82 0.00 2.35 -1.98 -3.41 115.58 109.73 1i17 h ASN 49 Ca 0.35 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.53 1i17 h ASN 49 Cb 1.54 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.88 1i17 h ASN 49 CO -0.00 0.11 1.17 -0.69 -1.65 0.00 0.00 177.43 176.36 1i17 s VAL 50 N -4.80 3.65 0.66 2.81 1.01 -0.38 -5.02 120.40 118.33 1i17 s VAL 50 Ca -0.04 0.70 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 1i17 s VAL 50 Cb 0.16 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.85 1i17 s VAL 50 CO 0.68 -0.41 0.93 0.42 0.00 0.00 0.00 175.10 176.72 1i17 s THR 51 N 5.83 2.36 0.09 3.92 -4.23 -1.26 -4.94 115.64 117.41 1i17 s THR 51 Ca 0.73 -0.51 -0.21 0.00 -1.18 0.00 0.00 61.69 60.52 1i17 s THR 51 Cb -0.22 -2.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.66 1i17 s THR 51 CO 0.31 0.00 1.66 0.50 -0.54 0.00 0.00 174.62 176.55 1i17 h LYS 52 N -0.38 0.20 -0.61 3.99 3.64 -1.96 -1.26 116.57 120.19 1i17 h LYS 52 Ca -0.41 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.05 1i17 h LYS 52 Cb 1.29 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 1i17 h LYS 52 CO 0.49 0.25 0.18 0.93 -2.27 0.00 0.00 179.45 179.03 1i17 h GLU 53 N 0.10 0.32 0.50 1.90 5.08 -2.00 -0.14 114.58 120.35 1i17 h GLU 53 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1i17 h GLU 53 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1i17 h GLU 53 CO -0.01 0.21 -0.46 0.52 -1.00 0.00 0.00 179.01 178.28 1i17 h MET 54 N 0.33 -0.92 0.30 2.33 2.86 -1.94 -3.05 114.93 114.84 1i17 h MET 54 Ca 0.32 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 1i17 h MET 54 Cb 0.44 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1i17 h MET 54 CO -0.36 -0.61 -0.22 1.25 1.06 0.00 0.00 176.91 178.02 1i17 h LEU 55 N -0.96 -0.58 -0.30 1.22 6.46 -0.56 -0.60 115.31 120.00 1i17 h LEU 55 Ca -0.06 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1i17 h LEU 55 Cb 0.83 0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.90 1i17 h LEU 55 CO -0.04 -0.34 0.03 0.58 -0.62 0.00 0.00 178.44 178.05 1i17 h VAL 56 N -0.53 0.83 -0.08 1.05 2.07 -1.16 0.11 116.25 118.54 1i17 h VAL 56 Ca -0.02 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1i17 h VAL 56 Cb 0.46 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1i17 h VAL 56 CO -0.00 0.02 0.04 0.74 0.02 0.00 0.00 177.57 178.39 1i17 h THR 57 N 0.13 1.08 -0.74 2.57 2.02 -1.50 -2.59 112.91 113.89 1i17 h THR 57 Ca 0.14 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1i17 h THR 57 Cb 0.17 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1i17 h THR 57 CO -0.21 0.07 0.44 0.28 0.37 0.00 0.00 175.52 176.48 1i17 h SER 58 N 0.03 0.88 -0.06 4.18 0.02 -0.76 -1.93 113.55 115.91 1i17 h SER 58 Ca 0.03 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1i17 h SER 58 Cb 0.08 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1i17 h SER 58 CO -0.00 0.67 -0.04 0.00 -1.14 0.00 0.00 176.83 176.31 1i17 h VAL 60 N -0.05 0.95 -0.28 0.00 2.07 -1.13 0.35 116.25 118.16 1i17 h VAL 60 Ca 0.04 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1i17 h VAL 60 Cb 0.10 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1i17 h VAL 60 CO -0.09 0.13 0.11 0.78 0.02 0.00 0.00 177.57 178.52 1i17 h ASN 61 N 0.72 0.39 -0.47 0.57 2.35 -1.13 -2.49 115.58 115.52 1i17 h ASN 61 Ca 0.33 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1i17 h ASN 61 Cb 0.23 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1i17 h ASN 61 CO -0.20 0.45 0.29 0.00 -1.65 0.00 0.00 177.43 176.32 1i17 h ALA 62 N 0.95 0.60 -0.32 -0.83 0.00 -0.42 -2.44 119.26 116.80 1i17 h ALA 62 Ca 0.09 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1i17 h ALA 62 Cb 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1i17 h ALA 62 CO -0.01 0.08 0.04 1.15 0.00 0.00 0.00 179.25 180.52 1i17 h THR 63 N 0.63 0.82 0.09 0.00 2.02 -0.91 0.05 112.91 115.61 1i17 h THR 63 Ca 0.17 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1i17 h THR 63 Cb -0.02 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1i17 h THR 63 CO -0.03 0.03 -0.50 1.56 0.37 0.00 0.00 175.52 176.94 1i17 h GLN 64 N 0.15 -0.68 -0.78 6.66 4.20 -1.33 -1.99 115.11 121.34 1i17 h GLN 64 Ca 0.15 0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.98 1i17 h GLN 64 Cb 0.18 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 1i17 h GLN 64 CO -0.22 -0.46 0.45 0.00 -0.67 0.00 0.00 178.83 177.94 1i17 h ALA 65 N -0.40 1.07 -0.33 3.87 0.00 -1.08 -2.56 119.26 119.84 1i17 h ALA 65 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1i17 h ALA 65 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1i17 h ALA 65 CO -0.30 0.13 -0.20 0.00 0.00 0.00 0.00 179.25 178.88 1i17 h ALA 66 N 1.40 0.47 -0.66 0.00 0.00 -0.95 -3.36 119.26 116.16 1i17 h ALA 66 Ca 0.35 -0.36 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 1i17 h ALA 66 Cb 0.24 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 17.61 1i17 h ALA 66 CO -0.20 0.42 -0.34 0.09 0.00 0.00 0.00 179.25 179.22 1i17 n ASN 67 N -4.30 4.71 -0.09 0.00 3.02 -0.75 -4.83 115.26 113.01 1i17 n ASN 67 Ca -0.03 -3.78 -0.07 0.00 -0.03 0.00 0.00 54.58 50.67 1i17 n ASN 67 Cb 0.42 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 1.82 -0.19 -0.30 3.52 4.20 -1.62 -2.57 115.11 119.97 1i17 h GLN 68 Ca 0.36 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.15 1i17 h GLN 68 Cb 1.39 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.14 1i17 h GLN 68 CO 0.79 -0.12 -0.19 0.00 -0.67 0.00 0.00 178.83 178.63 1i17 h ALA 69 N 0.95 0.02 -0.30 3.87 0.00 -1.90 -1.30 119.26 120.61 1i17 h ALA 69 Ca 0.17 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1i17 h ALA 69 Cb 0.46 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1i17 h ALA 69 CO -0.46 -0.59 0.09 0.93 0.00 0.00 0.00 179.25 179.22 1i17 h GLU 70 N -0.16 0.20 0.81 0.00 4.39 -1.86 -0.30 114.58 117.67 1i17 h GLU 70 Ca 0.16 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1i17 h GLU 70 Cb 0.40 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1i17 h GLU 70 CO -0.40 0.14 -0.39 0.74 -1.16 0.00 0.00 179.01 177.93 1i17 h PHE 71 N 0.21 -1.01 -0.07 4.33 0.04 -1.35 -3.21 116.94 115.88 1i17 h PHE 71 Ca 0.13 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.91 1i17 h PHE 71 Cb 0.12 0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 1i17 h PHE 71 CO -0.15 -0.62 -0.12 0.77 -0.60 0.00 0.00 178.31 177.59 1i17 h SER 72 N -1.13 -0.36 -0.43 2.17 0.02 -1.10 -1.41 113.55 111.32 1i17 h SER 72 Ca -0.11 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1i17 h SER 72 Cb 0.84 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1i17 h SER 72 CO 0.18 -0.16 0.25 0.08 -1.14 0.00 0.00 176.83 176.04 1i17 h ARG 73 N -0.17 0.48 0.16 3.45 -0.00 -1.17 -2.96 114.38 114.18 1i17 h ARG 73 Ca 0.07 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 60.01 1i17 h ARG 73 Cb 0.26 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 1i17 h ARG 73 CO -0.17 0.32 -0.08 0.93 -0.00 0.00 0.00 179.97 180.97 1i17 h GLU 74 N 0.50 -0.21 -0.77 0.08 5.08 -1.55 -3.33 114.58 114.38 1i17 h GLU 74 Ca 0.17 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.77 1i17 h GLU 74 Cb 0.02 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1i17 h GLU 74 CO -0.08 0.06 0.75 -0.22 -1.00 0.00 0.00 179.01 178.51 1i17 h LYS 75 N -0.47 0.00 -0.75 2.33 1.63 -1.08 0.12 116.57 118.36 1i17 h LYS 75 Ca -0.02 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.96 1i17 h LYS 75 Cb 0.36 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.95 1i17 h LYS 75 CO 0.04 0.00 0.52 1.96 -3.45 0.00 0.00 179.45 178.51 1i17 h GLN 76 N 0.00 0.22 0.00 1.90 1.08 -1.66 -3.38 115.11 113.27 1i17 h GLN 76 Ca 0.37 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1i17 h GLN 76 Cb 1.86 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.24 1i17 h GLN 76 CO -0.00 0.14 -0.24 -3.47 -0.95 0.00 0.00 178.83 174.31 1i17 n ASP 77 N -4.42 0.54 -4.75 1.46 2.03 -0.39 -5.11 116.55 105.92 1i17 n ASP 77 Ca 0.15 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.05 1i17 n ASP 77 Cb 0.67 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.05 1i17 n ASP 77 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1i17 s SER 78 N -3.99 6.47 0.00 1.67 0.15 0.29 -4.98 113.70 113.30 1i17 s SER 78 Ca 0.00 2.87 0.00 0.00 0.70 0.00 0.00 55.95 59.52 1i17 s SER 78 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1i17 s SER 78 CO 0.00 -0.83 0.00 1.17 1.20 0.00 0.00 173.24 174.78 1i17 n LYS 79 N 1.93 0.00 -0.28 5.44 4.81 -1.26 -4.47 118.16 124.33 1i17 n LYS 79 Ca 0.06 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.54 1i17 n LYS 79 Cb 0.39 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.69 1i17 n LYS 79 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1i17 h LEU 80 N 0.00 0.87 -0.55 3.14 5.85 -2.02 -3.04 115.31 119.55 1i17 h LEU 80 Ca 0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1i17 h LEU 80 Cb 0.00 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 40.75 1i17 h LEU 80 CO 0.00 0.57 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.91 1i17 h HIS 81 N 0.99 -0.07 -0.25 1.25 2.76 -2.00 -2.55 115.15 115.28 1i17 h HIS 81 Ca 0.37 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.64 1i17 h HIS 81 Cb 0.17 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.18 1i17 h HIS 81 CO -0.00 -0.15 -0.22 1.96 -1.30 0.00 0.00 177.93 178.22 1i17 h GLN 82 N 0.10 -0.21 -0.14 5.26 1.08 -1.85 0.12 115.11 119.47 1i17 h GLN 82 Ca 0.28 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.54 1i17 h GLN 82 Cb 0.44 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.85 1i17 h GLN 82 CO -0.48 -0.14 -0.34 0.00 -0.95 0.00 0.00 178.83 176.92 1i17 h ARG 83 N -0.21 -0.39 0.29 1.46 3.08 -1.60 -0.03 114.38 116.97 1i17 h ARG 83 Ca 0.14 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1i17 h ARG 83 Cb 0.43 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1i17 h ARG 83 CO -0.38 -0.26 -0.14 0.28 -1.07 0.00 0.00 179.97 178.40 1i17 h VAL 84 N -0.41 0.72 -0.30 2.04 2.07 -1.33 -2.51 116.25 116.53 1i17 h VAL 84 Ca 0.09 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1i17 h VAL 84 Cb 0.56 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1i17 h VAL 84 CO -0.37 0.01 -0.06 0.25 0.02 0.00 0.00 177.57 177.43 1i17 h LEU 85 N -0.41 -0.24 -0.60 2.57 5.85 -0.59 -0.92 115.31 120.96 1i17 h LEU 85 Ca -0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1i17 h LEU 85 Cb 0.32 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1i17 h LEU 85 CO 0.07 -0.08 0.32 -0.50 -0.34 0.00 0.00 178.44 177.90 1i17 h TRP 86 N 0.02 0.83 -0.40 1.25 4.06 -1.01 0.41 115.95 121.11 1i17 h TRP 86 Ca 0.14 -0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.13 1i17 h TRP 86 Cb 0.21 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.06 1i17 h TRP 86 CO -0.27 0.61 0.08 -0.09 -3.56 0.00 0.00 178.44 175.22 1i17 h ARG 87 N 0.81 0.21 0.30 0.49 9.65 -1.18 -0.19 114.38 124.46 1i17 h ARG 87 Ca 0.21 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 1i17 h ARG 87 Cb 0.07 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1i17 h ARG 87 CO -0.03 0.14 -0.23 1.25 2.80 0.00 0.00 179.97 183.89 1i17 h LEU 88 N 0.22 -0.61 -0.41 3.80 6.46 -0.81 -0.67 115.31 123.29 1i17 h LEU 88 Ca 0.19 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 58.09 1i17 h LEU 88 Cb 0.23 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.27 1i17 h LEU 88 CO -0.25 -0.36 -0.19 0.40 -0.62 0.00 0.00 178.44 177.42 1i17 h ILE 89 N -0.54 0.42 -0.48 4.05 2.04 -0.80 -0.61 117.51 121.60 1i17 h ILE 89 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1i17 h ILE 89 Cb 0.47 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1i17 h ILE 89 CO -0.01 0.00 0.28 0.50 0.00 0.00 0.00 178.15 178.92 1i17 h LYS 90 N -0.11 0.55 -0.41 2.37 3.64 -0.90 0.21 116.57 121.91 1i17 h LYS 90 Ca 0.20 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1i17 h LYS 90 Cb 0.42 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1i17 h LYS 90 CO -0.48 0.37 0.16 0.93 -2.27 0.00 0.00 179.45 178.15 1i17 h GLU 91 N 0.57 0.32 0.23 1.90 4.39 -0.61 0.15 114.58 121.53 1i17 h GLU 91 Ca 0.19 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.88 1i17 h GLU 91 Cb 0.02 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1i17 h GLU 91 CO -0.09 0.21 -0.33 0.82 -1.16 0.00 0.00 179.01 178.47 1i17 h ILE 92 N 0.33 0.31 -0.45 3.13 2.04 -0.78 -1.68 117.51 120.42 1i17 h ILE 92 Ca 0.19 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.10 1i17 h ILE 92 Cb 0.16 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 1i17 h ILE 92 CO -0.18 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.14 1i17 h SER 94 N 0.35 0.75 0.37 0.00 0.02 -0.61 -2.63 113.55 111.80 1i17 h SER 94 Ca 0.21 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1i17 h SER 94 Cb 0.19 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1i17 h SER 94 CO -0.20 0.49 -0.24 0.00 -1.14 0.00 0.00 176.83 175.73 1i17 h ALA 95 N 1.57 1.40 -2.36 3.77 0.00 -0.90 -3.45 119.26 119.29 1i17 h ALA 95 Ca 0.33 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 54.48 1i17 h ALA 95 Cb 0.20 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1i17 h ALA 95 CO -0.11 0.31 1.24 1.63 0.00 0.00 0.00 179.25 182.31 1i17 n LYS 96 N -3.96 2.88 -4.46 0.00 5.02 -0.99 -5.00 118.16 111.66 1i17 n LYS 96 Ca -0.02 1.06 -0.24 0.00 -2.02 0.00 0.00 58.31 57.09 1i17 n LYS 96 Cb 0.32 -3.02 -0.13 0.00 -0.02 0.00 0.00 35.03 32.18 1i17 n LYS 96 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1i17 s HIS 97 N 4.45 1.65 -0.07 2.13 -3.43 -1.26 -4.96 115.29 113.81 1i17 s HIS 97 Ca 0.89 -0.39 0.02 0.00 -0.80 0.00 0.00 55.06 54.78 1i17 s HIS 97 Cb -0.43 -0.96 0.01 0.00 -1.43 0.00 0.00 32.58 29.77 1i17 s HIS 97 CO 0.42 0.11 -0.12 0.00 -2.00 0.00 0.00 174.74 173.15 1i17 h ASP 99 N 7.08 0.74 0.81 0.00 3.32 -2.03 -2.69 116.42 123.64 1i17 h ASP 99 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1i17 h ASP 99 Cb 1.18 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1i17 h ASP 99 CO 0.47 0.48 0.00 2.19 -1.72 0.00 0.00 179.24 180.66 1i17 h PHE 100 N 0.84 0.00 -2.30 4.55 -5.15 -1.97 -3.45 116.94 109.46 1i17 h PHE 100 Ca 0.33 0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.56 1i17 h PHE 100 Cb 0.23 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.42 1i17 h PHE 100 CO -0.00 0.00 1.24 0.91 -2.00 0.00 0.00 178.31 178.46 1i17 n TRP 101 N -2.42 2.47 -2.23 6.09 8.01 -1.02 -4.63 117.44 123.72 1i17 n TRP 101 Ca 0.02 -0.34 -0.34 0.00 -1.31 0.00 0.00 57.50 55.54 1i17 n TRP 101 Cb 0.25 -2.79 -0.00 0.00 -2.01 0.00 0.00 31.31 26.76 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 4.66 3.65 0.14 -0.99 1.02 -1.26 -4.99 118.68 120.91 1i17 s LEU 102 Ca 0.90 1.94 0.00 0.00 0.02 0.00 0.00 54.13 56.99 1i17 s LEU 102 Cb -0.45 -4.55 0.00 0.00 0.02 0.00 0.00 46.19 41.21 1i17 s LEU 102 CO 0.43 -1.09 0.00 1.21 0.02 0.00 0.00 176.35 176.91 1i17 n GLU 103 N -1.57 0.00 0.00 1.70 2.13 -1.26 -4.97 120.64 116.67 1i17 n GLU 103 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1i17 n GLU 103 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1i17 n GLU 103 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1i17 n ARG 104 N -2.95 1.37 0.00 5.31 1.85 -1.26 -5.09 116.66 115.89 1i17 n ARG 104 Ca 0.00 -1.02 0.00 0.00 -1.00 0.00 0.00 57.85 55.83 1i17 n ARG 104 Cb 0.00 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 1i17 n ARG 104 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i17 n GLY 105 N -0.27 -0.26 3.22 2.89 0.00 -1.26 -5.19 105.19 104.31 1i17 n GLY 105 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 1i17 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 n ALA 106 N -0.01 -0.05 -0.87 4.61 0.00 -1.26 -4.59 120.51 118.34 1i17 n ALA 106 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.84 1i17 n ALA 106 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1i17 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50