#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 3.81 0.65 5.15 0.11 -1.26 -5.13 120.40 123.73 1i17 s VAL 2 Ca 0.00 -0.89 -0.15 0.00 -2.93 0.00 0.00 61.98 58.01 1i17 s VAL 2 Cb 0.00 -2.74 -0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1i17 s VAL 2 CO 0.00 0.26 1.10 0.00 -3.33 0.00 0.00 175.10 173.12 1i17 s ALA 3 N -1.15 2.53 0.36 1.54 0.00 -1.26 -4.98 121.76 118.80 1i17 s ALA 3 Ca 0.21 0.50 0.11 0.00 0.00 0.00 0.00 51.96 52.77 1i17 s ALA 3 Cb -0.11 -3.30 0.70 0.00 0.00 0.00 0.00 23.12 20.41 1i17 s ALA 3 CO 0.12 -1.19 1.83 0.93 0.00 0.00 0.00 175.76 177.46 1i17 h GLU 4 N 0.07 0.11 -3.04 0.00 4.39 -2.04 -3.26 114.58 110.80 1i17 h GLU 4 Ca -0.47 -0.04 -0.59 0.00 0.34 0.00 0.00 59.36 58.61 1i17 h GLU 4 Cb 1.24 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1i17 h GLU 4 CO 0.55 0.41 3.40 -1.71 -1.16 0.00 0.00 179.01 180.50 1i17 n ASN 5 N -4.14 7.83 -4.88 1.42 4.05 -1.26 -4.92 115.26 113.36 1i17 n ASN 5 Ca -0.02 -2.51 -0.30 0.00 0.45 0.00 0.00 54.58 52.20 1i17 n ASN 5 Cb 0.38 -1.46 -0.01 0.00 1.23 0.00 0.00 39.78 39.92 1i17 n ASN 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1i17 s ARG 6 N 2.36 3.69 -0.10 1.20 1.04 -1.23 -4.96 118.95 120.94 1i17 s ARG 6 Ca 0.64 0.58 -0.38 0.00 -1.04 0.00 0.00 55.73 55.52 1i17 s ARG 6 Cb 0.17 -2.24 -0.16 0.00 -2.04 0.00 0.00 34.95 30.68 1i17 s ARG 6 CO -0.05 -0.30 1.57 -2.30 -0.04 0.00 0.00 175.30 174.18 1i17 n PRO 7 N -2.09 1.24 0.00 3.89 -0.02 -1.26 -2.09 135.00 134.67 1i17 n PRO 7 Ca 0.04 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1i17 n PRO 7 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 3.46 2.67 3.70 -1.23 0.00 0.64 -4.53 105.19 109.90 1i17 n GLY 8 Ca 0.22 0.00 -0.44 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 n ALA 9 N -0.75 2.20 -1.70 4.61 0.00 -0.89 -4.26 120.51 119.72 1i17 n ALA 9 Ca 0.00 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.46 1i17 n ALA 9 Cb 0.00 -2.45 0.03 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 3.80 1.92 -3.99 0.00 3.72 -1.26 -1.03 117.46 120.62 1i17 n PHE 10 Ca 0.17 0.47 -0.31 0.00 -0.05 0.00 0.00 57.45 57.73 1i17 n PHE 10 Cb 0.32 -2.33 -0.15 0.00 -0.94 0.00 0.00 39.48 36.38 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 -1.28 1.95 -0.39 4.37 1.01 0.06 -4.80 121.20 122.12 1i17 s ILE 11 Ca 0.67 -1.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 1i17 s ILE 11 Cb -0.47 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 39.80 1i17 s ILE 11 CO 0.54 -0.30 0.21 -0.54 0.00 0.00 0.00 174.94 174.85 1i17 s LYS 12 N 1.14 2.67 -0.09 2.79 1.02 -1.26 -1.60 119.74 124.40 1i17 s LYS 12 Ca 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.70 1i17 s LYS 12 Cb -0.19 -3.70 -0.06 0.00 -0.52 0.00 0.00 37.83 33.36 1i17 s LYS 12 CO -0.08 -0.82 -0.09 1.04 -0.92 0.00 0.00 175.35 174.48 1i17 n GLN 13 N 4.92 0.23 0.00 1.68 6.02 -1.26 -5.02 117.38 123.95 1i17 n GLN 13 Ca -0.11 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1i17 n GLN 13 Cb 0.44 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.53 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 3.02 0.74 2.64 1.08 0.00 -1.26 -5.13 105.19 106.28 1i17 n GLY 14 Ca -0.17 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.36 0.43 0.15 1.61 3.52 -1.26 -5.05 118.95 116.98 1i17 s ARG 15 Ca 0.00 -0.65 -0.31 0.00 -0.13 0.00 0.00 55.73 54.63 1i17 s ARG 15 Cb 0.00 -1.65 -0.09 0.00 -1.56 0.00 0.00 34.95 31.64 1i17 s ARG 15 CO 0.00 -0.92 1.51 0.21 -0.81 0.00 0.00 175.30 175.29 1i17 s LYS 16 N 1.90 4.25 0.69 5.12 2.20 -1.26 -4.81 119.74 127.83 1i17 s LYS 16 Ca 0.07 2.27 0.03 0.00 -0.36 0.00 0.00 55.97 57.98 1i17 s LYS 16 Cb -0.17 -3.19 0.13 0.00 -1.51 0.00 0.00 37.83 33.09 1i17 s LYS 16 CO -0.26 -0.55 0.94 1.28 -0.36 0.00 0.00 175.35 176.40 1i17 n LEU 17 N 3.98 0.00 -3.80 5.43 4.77 -1.26 -5.12 117.00 121.00 1i17 n LEU 17 Ca 0.13 -2.29 -0.30 0.00 -0.03 0.00 0.00 56.01 53.52 1i17 n LEU 17 Cb 0.40 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 1i17 n LEU 17 CO 0.60 -0.89 -0.33 -0.62 -1.33 0.00 0.00 177.39 174.82 1i17 s ASP 18 N -4.97 4.17 -0.03 -1.43 2.15 -1.26 -5.04 116.67 110.26 1i17 s ASP 18 Ca 0.65 -1.73 0.01 0.00 0.43 0.00 0.00 52.55 51.92 1i17 s ASP 18 Cb -0.04 -1.04 0.02 0.00 -0.30 0.00 0.00 42.92 41.56 1i17 s ASP 18 CO 0.43 -0.40 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.36 1i17 s ILE 19 N 1.46 0.44 -1.08 4.11 1.01 -1.26 -5.10 121.20 120.79 1i17 s ILE 19 Ca 0.09 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 1i17 s ILE 19 Cb -0.18 -0.46 0.15 0.00 0.01 0.00 0.00 42.46 41.98 1i17 s ILE 19 CO -0.21 0.19 1.29 -0.62 0.00 0.00 0.00 174.94 175.59 1i17 s ASP 20 N 0.71 6.87 0.17 3.58 2.15 -1.26 -4.82 116.67 124.06 1i17 s ASP 20 Ca -0.09 -2.57 -0.13 0.00 0.43 0.00 0.00 52.55 50.20 1i17 s ASP 20 Cb -0.12 -2.40 0.06 0.00 -0.30 0.00 0.00 42.92 40.17 1i17 s ASP 20 CO -0.00 -0.88 1.73 -0.26 -0.17 0.00 0.00 175.17 175.59 1i17 h PHE 21 N 7.91 0.84 0.00 -5.34 0.04 -1.98 -3.50 116.94 114.91 1i17 h PHE 21 Ca 0.24 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1i17 h PHE 21 Cb 0.94 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1i17 h PHE 21 CO 1.13 0.67 0.00 0.41 -0.60 0.00 0.00 178.31 179.92 1i17 n GLY 22 N -0.86 4.02 0.42 -1.45 0.00 -1.26 -4.88 105.19 101.18 1i17 n GLY 22 Ca 0.03 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.49 -0.64 4.61 0.00 -1.99 0.19 119.26 120.94 1i17 h ALA 23 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1i17 h ALA 23 Cb 0.00 1.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1i17 h ALA 23 CO 0.00 -0.94 0.05 1.49 0.00 0.00 0.00 179.25 179.86 1i17 h GLU 24 N -0.04 1.10 -0.45 0.00 4.57 -1.99 -2.31 114.58 115.46 1i17 h GLU 24 Ca 0.17 -0.32 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1i17 h GLU 24 Cb 0.45 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1i17 h GLU 24 CO -0.91 1.03 -0.12 0.78 -1.18 0.00 0.00 179.01 178.62 1i17 h GLY 25 N 1.01 0.94 0.61 1.92 0.00 -1.56 -1.06 103.07 104.93 1i17 h GLY 25 Ca 0.19 -0.78 0.04 0.00 0.00 0.00 0.00 47.33 46.77 1i17 h GLY 25 CO 0.02 0.71 -0.07 3.43 0.00 0.00 0.00 176.54 180.63 1i17 h ASN 26 N 0.70 -0.24 -0.10 0.19 2.35 -0.66 -0.03 115.58 117.78 1i17 h ASN 26 Ca 0.11 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1i17 h ASN 26 Cb 0.66 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 1i17 h ASN 26 CO 0.05 -0.10 -0.14 0.03 -1.65 0.00 0.00 177.43 175.61 1i17 h ARG 27 N -0.06 -0.18 0.32 0.81 3.08 -1.35 -1.15 114.38 115.85 1i17 h ARG 27 Ca 0.08 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1i17 h ARG 27 Cb 0.18 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1i17 h ARG 27 CO -0.19 -0.12 -0.26 -0.92 -1.07 0.00 0.00 179.97 177.41 1i17 h TYR 28 N -0.19 -0.68 0.03 3.04 3.20 -0.95 -2.36 116.97 119.07 1i17 h TYR 28 Ca 0.08 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1i17 h TYR 28 Cb 0.31 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1i17 h TYR 28 CO -0.25 -0.38 -0.15 -0.92 -1.64 0.00 0.00 178.16 174.81 1i17 h TYR 29 N -0.59 -0.40 -1.00 -3.82 3.20 -0.97 -0.64 116.97 112.75 1i17 h TYR 29 Ca -0.02 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.05 1i17 h TYR 29 Cb 0.51 0.17 -0.11 0.00 1.54 0.00 0.00 36.73 38.85 1i17 h TYR 29 CO -0.14 -0.23 0.61 0.00 -1.64 0.00 0.00 178.16 176.77 1i17 h ALA 30 N 0.64 1.72 0.00 1.82 0.00 -1.17 0.11 119.26 122.37 1i17 h ALA 30 Ca 0.04 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1i17 h ALA 30 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i17 h ALA 30 CO -0.12 -0.09 -0.67 0.00 0.00 0.00 0.00 179.25 178.36 1i17 h ALA 31 N 1.65 0.60 0.00 0.00 0.00 -1.15 -3.41 119.26 116.95 1i17 h ALA 31 Ca 0.58 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i17 h ALA 31 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1i17 h ALA 31 CO -0.38 0.78 -0.01 0.09 0.00 0.00 0.00 179.25 179.73 1i17 n ASN 32 N -3.23 1.22 -0.24 0.00 3.02 -0.27 -4.89 115.26 110.88 1i17 n ASN 32 Ca 0.01 -1.68 0.28 0.00 -0.03 0.00 0.00 54.58 53.16 1i17 n ASN 32 Cb 0.79 -0.02 0.67 0.00 -0.61 0.00 0.00 39.78 40.61 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 0.16 -0.96 3.10 -0.00 -1.05 -1.35 116.97 116.87 1i17 h TYR 33 Ca 0.00 0.01 0.25 0.00 0.00 0.00 0.00 58.73 58.98 1i17 h TYR 33 Cb 0.73 -0.05 -0.06 0.00 0.00 0.00 0.00 36.73 37.35 1i17 h TYR 33 CO 0.00 0.03 0.65 0.11 -0.00 0.00 0.00 178.16 178.95 1i17 h TRP 34 N 0.11 0.39 -0.23 0.10 5.08 -1.90 -1.87 115.95 117.64 1i17 h TRP 34 Ca 0.48 0.01 -0.13 0.00 1.08 0.00 0.00 58.89 60.33 1i17 h TRP 34 Cb 1.73 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.77 1i17 h TRP 34 CO -0.00 0.07 -0.42 1.96 -1.28 0.00 0.00 178.44 178.78 1i17 h GLN 35 N 0.27 0.54 -7.16 0.12 4.20 -1.66 -3.47 115.11 107.95 1i17 h GLN 35 Ca 0.50 -0.28 -0.48 0.00 0.06 0.00 0.00 58.65 58.46 1i17 h GLN 35 Cb 1.49 0.01 0.03 0.00 0.30 0.00 0.00 27.48 29.31 1i17 h GLN 35 CO -0.15 0.86 0.38 -0.06 -0.67 0.00 0.00 178.83 179.18 1i17 s PHE 36 N -4.22 3.15 -0.59 2.96 0.40 -0.70 -5.00 117.98 113.98 1i17 s PHE 36 Ca -0.07 1.52 -0.27 0.00 -0.60 0.00 0.00 56.93 57.51 1i17 s PHE 36 Cb 0.12 -2.94 -0.00 0.00 0.51 0.00 0.00 43.02 40.71 1i17 s PHE 36 CO 0.82 -0.75 1.62 -1.25 0.70 0.00 0.00 175.22 176.36 1i17 s PRO 37 N -3.81 3.01 0.43 0.24 0.04 -1.26 -4.74 135.00 128.91 1i17 s PRO 37 Ca 0.63 0.51 0.18 0.00 0.04 0.00 0.00 61.00 62.36 1i17 s PRO 37 Cb -0.14 -4.25 0.99 0.00 0.04 0.00 0.00 34.50 31.14 1i17 s PRO 37 CO 0.29 -2.29 1.92 0.38 0.04 0.00 0.00 177.00 177.34 1i17 h ASP 38 N 12.69 0.00 -2.96 6.66 3.04 -1.69 -3.44 116.42 130.72 1i17 h ASP 38 Ca -0.27 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 53.03 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 1.20 0.26 -0.67 -0.83 -2.04 0.00 0.00 179.24 177.16 1i17 s GLY 39 N -4.26 1.86 -0.05 7.15 0.00 -0.63 -5.04 107.32 106.36 1i17 s GLY 39 Ca -0.03 -1.92 -0.00 0.00 0.00 0.00 0.00 44.72 42.77 1i17 s GLY 39 CO 0.67 -1.84 0.00 -0.42 0.00 0.00 0.00 173.10 171.51 1i17 s ILE 40 N -3.04 0.27 -0.20 0.90 1.01 -1.26 -0.76 121.20 118.11 1i17 s ILE 40 Ca 0.30 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 1i17 s ILE 40 Cb 0.04 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1i17 s ILE 40 CO 0.12 0.21 1.39 -0.47 0.00 0.00 0.00 174.94 176.19 1i17 s TYR 41 N 1.52 2.54 0.04 3.97 5.04 -0.19 -4.96 117.35 125.31 1i17 s TYR 41 Ca -0.02 0.77 -0.18 0.00 -2.44 0.00 0.00 57.07 55.20 1i17 s TYR 41 Cb -0.13 -3.76 0.03 0.00 0.35 0.00 0.00 41.96 38.45 1i17 s TYR 41 CO -0.03 -2.23 0.40 -0.47 -1.34 0.00 0.00 175.55 171.88 1i17 s TYR 42 N 4.14 -0.25 -0.41 4.97 5.04 -1.26 -0.26 117.35 129.32 1i17 s TYR 42 Ca 0.61 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 55.48 1i17 s TYR 42 Cb -0.22 0.20 0.12 0.00 0.35 0.00 0.00 41.96 42.40 1i17 s TYR 42 CO 0.22 -0.55 0.17 -1.21 -1.34 0.00 0.00 175.55 172.84 1i17 s GLU 43 N -2.37 1.36 -0.18 4.97 2.02 -1.26 -4.99 118.70 118.26 1i17 s GLU 43 Ca -0.06 -1.92 -0.15 0.00 0.02 0.00 0.00 54.97 52.86 1i17 s GLU 43 Cb -0.01 -2.67 -0.10 0.00 0.10 0.00 0.00 34.13 31.45 1i17 s GLU 43 CO -0.02 -1.07 -0.04 0.41 0.02 0.00 0.00 175.26 174.57 1i17 n GLY 44 N 3.87 -0.87 3.66 -1.39 0.00 -1.26 -4.91 105.19 104.29 1i17 n GLY 44 Ca 0.05 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 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 7.42 -0.04 -3.92 0.00 3.41 -1.26 -5.15 113.62 114.08 1i17 n SER 46 Ca 0.23 0.41 -0.10 0.00 -0.26 0.00 0.00 58.87 59.15 1i17 n SER 46 Cb 0.34 0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.54 0.59 4.33 -1.05 -1.26 -5.07 118.70 114.78 1i17 s GLU 47 Ca 0.00 -0.65 0.29 0.00 -0.15 0.00 0.00 54.97 54.46 1i17 s GLU 47 Cb 0.00 0.21 1.56 0.00 -0.44 0.00 0.00 34.13 35.46 1i17 s GLU 47 CO 0.00 -0.13 1.97 0.00 0.95 0.00 0.00 175.26 178.05 1i17 h ALA 48 N 3.89 1.98 -0.07 -0.84 0.00 -2.01 -1.42 119.26 120.79 1i17 h ALA 48 Ca -0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1i17 h ALA 48 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1i17 h ALA 48 CO 0.47 -0.53 0.01 -0.91 0.00 0.00 0.00 179.25 178.29 1i17 h ASN 49 N 0.00 0.08 -2.45 0.00 2.35 -1.99 -3.42 115.58 110.15 1i17 h ASN 49 Ca 0.15 -0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.32 1i17 h ASN 49 Cb 0.89 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 1i17 h ASN 49 CO -0.00 0.09 1.34 -0.69 -1.65 0.00 0.00 177.43 176.52 1i17 s VAL 50 N -5.07 3.33 0.84 2.81 1.01 -0.54 -5.01 120.40 117.78 1i17 s VAL 50 Ca -0.05 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1i17 s VAL 50 Cb 0.17 -3.45 0.14 0.00 0.00 0.00 0.00 36.38 33.24 1i17 s VAL 50 CO 0.69 -0.28 1.18 0.42 0.00 0.00 0.00 175.10 177.10 1i17 s THR 51 N 7.34 2.08 0.09 3.92 -4.23 -1.26 -4.88 115.64 118.69 1i17 s THR 51 Ca 0.86 -0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.99 1i17 s THR 51 Cb -0.26 -2.93 -0.15 0.00 1.34 0.00 0.00 72.50 70.51 1i17 s THR 51 CO 0.34 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.66 1i17 h LYS 52 N -1.15 0.00 -0.52 3.99 3.64 -1.98 -0.53 116.57 120.03 1i17 h LYS 52 Ca -0.43 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1i17 h LYS 52 Cb 1.27 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 1i17 h LYS 52 CO 0.48 0.00 -0.01 0.93 -2.27 0.00 0.00 179.45 178.58 1i17 h GLU 53 N -0.00 0.11 0.40 1.90 5.08 -1.99 -0.53 114.58 119.54 1i17 h GLU 53 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1i17 h GLU 53 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1i17 h GLU 53 CO -0.00 0.07 -0.33 0.52 -1.00 0.00 0.00 179.01 178.27 1i17 h MET 54 N 0.11 -0.70 0.41 2.33 2.86 -1.92 -2.69 114.93 115.33 1i17 h MET 54 Ca 0.26 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1i17 h MET 54 Cb 0.40 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1i17 h MET 54 CO -0.44 -0.47 -0.27 1.25 1.06 0.00 0.00 176.91 178.04 1i17 h LEU 55 N -0.73 -0.67 -0.25 1.22 6.46 -0.53 -0.22 115.31 120.59 1i17 h LEU 55 Ca -0.03 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1i17 h LEU 55 Cb 0.64 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 1i17 h LEU 55 CO -0.02 -0.42 0.06 0.58 -0.62 0.00 0.00 178.44 178.02 1i17 h VAL 56 N -0.65 0.90 -0.21 1.05 2.07 -1.22 0.06 116.25 118.25 1i17 h VAL 56 Ca -0.04 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1i17 h VAL 56 Cb 0.55 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1i17 h VAL 56 CO 0.03 0.03 0.12 0.74 0.02 0.00 0.00 177.57 178.51 1i17 h THR 57 N 0.16 1.10 -0.86 2.57 2.02 -1.42 -2.44 112.91 114.03 1i17 h THR 57 Ca 0.11 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1i17 h THR 57 Cb 0.10 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1i17 h THR 57 CO -0.14 0.10 0.57 0.28 0.37 0.00 0.00 175.52 176.70 1i17 h SER 58 N 0.23 0.99 -0.15 4.18 0.02 -0.81 -1.71 113.55 116.31 1i17 h SER 58 Ca 0.07 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1i17 h SER 58 Cb 0.06 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1i17 h SER 58 CO -0.01 0.72 -0.01 0.00 -1.14 0.00 0.00 176.83 176.39 1i17 h VAL 60 N 0.04 0.80 -0.51 0.00 2.07 -1.12 0.27 116.25 117.80 1i17 h VAL 60 Ca 0.07 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1i17 h VAL 60 Cb 0.09 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1i17 h VAL 60 CO -0.12 0.02 0.31 0.78 0.02 0.00 0.00 177.57 178.57 1i17 h ASN 61 N 0.11 0.50 -0.35 0.57 2.35 -1.12 -1.32 115.58 116.32 1i17 h ASN 61 Ca 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1i17 h ASN 61 Cb 0.18 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1i17 h ASN 61 CO -0.22 0.35 0.19 0.00 -1.65 0.00 0.00 177.43 176.10 1i17 h ALA 62 N 1.23 0.45 -0.33 -0.83 0.00 -0.49 -2.52 119.26 116.76 1i17 h ALA 62 Ca 0.21 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1i17 h ALA 62 Cb 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1i17 h ALA 62 CO -0.09 -0.03 0.01 1.15 0.00 0.00 0.00 179.25 180.29 1i17 h THR 63 N 0.44 0.76 0.00 0.00 2.02 -0.70 -0.10 112.91 115.34 1i17 h THR 63 Ca 0.12 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1i17 h THR 63 Cb 0.06 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 1i17 h THR 63 CO -0.02 0.02 -0.51 1.56 0.37 0.00 0.00 175.52 176.94 1i17 h GLN 64 N 0.10 -0.63 -0.83 6.66 4.20 -1.17 -2.04 115.11 121.40 1i17 h GLN 64 Ca 0.16 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.99 1i17 h GLN 64 Cb 0.21 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 1i17 h GLN 64 CO -0.26 -0.42 0.49 0.00 -0.67 0.00 0.00 178.83 177.97 1i17 h ALA 65 N -0.33 1.17 -0.19 3.87 0.00 -1.14 -2.93 119.26 119.70 1i17 h ALA 65 Ca 0.02 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1i17 h ALA 65 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1i17 h ALA 65 CO -0.35 0.17 -0.50 0.00 0.00 0.00 0.00 179.25 178.56 1i17 h ALA 66 N 1.43 0.78 -0.70 0.00 0.00 -0.89 -3.37 119.26 116.50 1i17 h ALA 66 Ca 0.38 -0.49 -0.48 0.00 0.00 0.00 0.00 54.91 54.33 1i17 h ALA 66 Cb 0.28 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 17.56 1i17 h ALA 66 CO -0.21 0.67 -0.89 0.09 0.00 0.00 0.00 179.25 178.91 1i17 n ASN 67 N -3.98 4.13 -0.19 0.00 3.02 -0.78 -4.88 115.26 112.58 1i17 n ASN 67 Ca -0.03 -3.35 -0.00 0.00 -0.03 0.00 0.00 54.58 51.17 1i17 n ASN 67 Cb 0.57 -0.38 0.10 0.00 -0.61 0.00 0.00 39.78 39.46 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 2.30 0.28 -0.30 3.52 4.20 -1.70 -2.74 115.11 120.67 1i17 h GLN 68 Ca 0.25 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.99 1i17 h GLN 68 Cb 1.46 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.13 1i17 h GLN 68 CO 0.63 0.19 -0.01 0.00 -0.67 0.00 0.00 178.83 178.96 1i17 h ALA 69 N 1.43 0.26 -0.05 3.87 0.00 -1.90 -0.90 119.26 121.97 1i17 h ALA 69 Ca 0.29 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1i17 h ALA 69 Cb 0.40 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1i17 h ALA 69 CO -0.35 -0.42 -0.12 0.93 0.00 0.00 0.00 179.25 179.29 1i17 h GLU 70 N 0.07 -0.17 -0.65 0.00 4.39 -1.91 -0.71 114.58 115.61 1i17 h GLU 70 Ca 0.14 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1i17 h GLU 70 Cb 0.20 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1i17 h GLU 70 CO -0.26 -0.11 0.38 0.74 -1.16 0.00 0.00 179.01 178.61 1i17 h PHE 71 N -0.18 0.86 -0.10 4.33 0.04 -1.44 -1.54 116.94 118.91 1i17 h PHE 71 Ca 0.06 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.84 1i17 h PHE 71 Cb 0.26 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1i17 h PHE 71 CO -0.20 0.59 -0.02 0.77 -0.60 0.00 0.00 178.31 178.85 1i17 h SER 72 N 0.88 -0.08 0.76 2.17 0.02 -0.89 -3.25 113.55 113.16 1i17 h SER 72 Ca 0.23 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1i17 h SER 72 Cb -0.01 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1i17 h SER 72 CO -0.04 -0.03 -0.44 0.03 -1.14 0.00 0.00 176.83 175.21 1i17 h ARG 73 N 0.01 -1.07 -2.00 3.45 3.08 -1.05 -3.32 114.38 113.48 1i17 h ARG 73 Ca 0.05 0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 1i17 h ARG 73 Cb 0.07 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1i17 h ARG 73 CO -0.10 -0.71 -0.28 0.39 -1.07 0.00 0.00 179.97 178.20 1i17 n GLU 74 N -5.23 1.72 0.00 0.04 -0.58 -0.59 -3.17 120.64 112.83 1i17 n GLU 74 Ca -0.14 -0.72 0.00 0.00 -0.42 0.00 0.00 57.16 55.88 1i17 n GLU 74 Cb 0.46 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1i17 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1i17 n LYS 75 N 2.23 0.00 -0.22 3.49 4.81 -1.24 -4.44 118.16 122.78 1i17 n LYS 75 Ca 0.31 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.77 1i17 n LYS 75 Cb 0.80 -0.32 0.12 0.00 0.02 0.00 0.00 35.03 35.65 1i17 n LYS 75 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1i17 h GLN 76 N 0.00 0.10 -1.73 1.64 1.08 -1.66 -3.09 115.11 111.46 1i17 h GLN 76 Ca 0.00 -0.01 -0.45 0.00 -1.45 0.00 0.00 58.65 56.74 1i17 h GLN 76 Cb 0.00 -0.02 -0.40 0.00 -0.05 0.00 0.00 27.48 27.01 1i17 h GLN 76 CO 0.00 0.07 -1.19 -3.47 -0.95 0.00 0.00 178.83 173.29 1i17 n ASP 77 N -5.31 1.09 -3.69 1.46 2.03 -1.26 -5.09 116.55 105.77 1i17 n ASP 77 Ca 0.11 -2.95 -0.10 0.00 0.52 0.00 0.00 54.79 52.37 1i17 n ASP 77 Cb 0.40 -0.59 -0.10 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.64 -0.61 0.14 1.67 0.15 -1.17 -5.08 113.70 106.16 1i17 s SER 78 Ca 0.37 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1i17 s SER 78 Cb 0.38 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1i17 s SER 78 CO -0.05 -0.20 0.00 1.17 1.20 0.00 0.00 173.24 175.36 1i17 n LYS 79 N 4.10 0.00 -0.27 5.44 4.81 -1.26 -4.34 118.16 126.65 1i17 n LYS 79 Ca -0.21 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.29 1i17 n LYS 79 Cb 0.56 -0.39 0.20 0.00 0.02 0.00 0.00 35.03 35.43 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 0.31 0.16 3.14 5.85 -1.98 -2.50 115.31 120.30 1i17 h LEU 80 Ca 0.00 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1i17 h LEU 80 Cb 0.03 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1i17 h LEU 80 CO 0.00 0.11 -0.24 -0.74 -0.34 0.00 0.00 178.44 177.23 1i17 h HIS 81 N 0.46 -0.63 -0.28 1.25 2.76 -1.91 -2.50 115.15 114.29 1i17 h HIS 81 Ca 0.43 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.68 1i17 h HIS 81 Cb 0.66 0.26 -0.08 0.00 1.55 0.00 0.00 27.41 29.80 1i17 h HIS 81 CO -0.16 -0.34 -0.31 1.96 -1.30 0.00 0.00 177.93 177.78 1i17 h GLN 82 N -0.46 -0.29 -0.13 5.26 1.08 -1.67 0.11 115.11 119.00 1i17 h GLN 82 Ca 0.02 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1i17 h GLN 82 Cb 0.47 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 1i17 h GLN 82 CO -0.11 -0.19 -0.35 0.00 -0.95 0.00 0.00 178.83 177.23 1i17 h ARG 83 N -0.30 -0.41 -0.04 1.46 2.47 -1.36 -0.23 114.38 115.96 1i17 h ARG 83 Ca 0.14 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1i17 h ARG 83 Cb 0.53 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1i17 h ARG 83 CO -0.45 -0.27 0.02 0.28 0.56 0.00 0.00 179.97 180.10 1i17 h VAL 84 N -0.43 1.13 -0.48 2.04 2.07 -1.29 -2.90 116.25 116.40 1i17 h VAL 84 Ca 0.09 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1i17 h VAL 84 Cb 0.57 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1i17 h VAL 84 CO -0.37 0.11 0.20 0.25 0.02 0.00 0.00 177.57 177.78 1i17 h LEU 85 N -0.09 0.25 -0.46 2.57 5.85 -0.55 -0.11 115.31 122.77 1i17 h LEU 85 Ca 0.01 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1i17 h LEU 85 Cb 0.16 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1i17 h LEU 85 CO -0.00 0.18 0.17 -0.50 -0.34 0.00 0.00 178.44 177.94 1i17 h TRP 86 N 0.40 0.71 -0.09 1.25 4.06 -1.08 -0.01 115.95 121.19 1i17 h TRP 86 Ca 0.22 -0.06 0.03 0.00 2.06 0.00 0.00 58.89 61.14 1i17 h TRP 86 Cb 0.19 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 1i17 h TRP 86 CO -0.13 0.62 -0.08 -0.09 -3.56 0.00 0.00 178.44 175.19 1i17 h ARG 87 N 0.60 -0.09 -0.12 0.49 9.65 -1.28 -0.46 114.38 123.17 1i17 h ARG 87 Ca 0.15 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 1i17 h ARG 87 Cb 0.22 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 1i17 h ARG 87 CO -0.01 -0.06 -0.32 1.25 2.80 0.00 0.00 179.97 183.63 1i17 h LEU 88 N -0.09 -0.99 -0.15 3.80 7.12 -0.86 0.32 115.31 124.45 1i17 h LEU 88 Ca 0.06 0.14 0.05 0.00 0.13 0.00 0.00 57.88 58.26 1i17 h LEU 88 Cb 0.18 0.42 -0.05 0.00 -0.53 0.00 0.00 40.66 40.68 1i17 h LEU 88 CO -0.15 -0.36 -0.19 0.40 -0.13 0.00 0.00 178.44 178.01 1i17 h ILE 89 N -0.41 0.51 -0.68 4.05 2.04 -0.92 -2.31 117.51 119.78 1i17 h ILE 89 Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1i17 h ILE 89 Cb 0.55 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1i17 h ILE 89 CO -0.34 0.00 0.43 0.50 0.00 0.00 0.00 178.15 178.74 1i17 h LYS 90 N -0.23 0.82 -0.27 2.37 3.64 -0.70 0.08 116.57 122.28 1i17 h LYS 90 Ca 0.11 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1i17 h LYS 90 Cb 0.39 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1i17 h LYS 90 CO -0.29 0.54 0.03 0.93 -2.27 0.00 0.00 179.45 178.40 1i17 h GLU 91 N 0.84 0.12 0.02 1.90 4.39 -0.79 0.17 114.58 121.23 1i17 h GLU 91 Ca 0.27 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.98 1i17 h GLU 91 Cb 0.00 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1i17 h GLU 91 CO -0.10 0.08 -0.09 0.82 -1.16 0.00 0.00 179.01 178.56 1i17 h ILE 92 N 0.12 0.76 -0.54 3.13 2.04 -1.01 -2.53 117.51 119.49 1i17 h ILE 92 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.04 1i17 h ILE 92 Cb 0.15 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1i17 h ILE 92 CO -0.19 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.23 1i17 h SER 94 N 0.53 0.76 0.61 0.00 0.02 -0.47 -2.25 113.55 112.74 1i17 h SER 94 Ca 0.24 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1i17 h SER 94 Cb 0.15 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1i17 h SER 94 CO -0.17 0.41 0.00 0.00 -1.14 0.00 0.00 176.83 175.93 1i17 h ALA 95 N 1.57 1.00 0.00 3.77 0.00 -1.21 -3.39 119.26 121.00 1i17 h ALA 95 Ca 0.45 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.80 1i17 h ALA 95 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1i17 h ALA 95 CO -0.21 0.00 3.33 1.63 0.00 0.00 0.00 179.25 184.00 1i17 n LYS 96 N -2.62 3.14 -2.12 0.00 5.02 -0.85 -4.95 118.16 115.78 1i17 n LYS 96 Ca 0.00 -1.92 -0.42 0.00 -2.02 0.00 0.00 58.31 53.95 1i17 n LYS 96 Cb 0.20 -2.66 -0.03 0.00 -0.02 0.00 0.00 35.03 32.52 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 2.51 2.81 0.29 2.13 -3.43 -1.26 -4.93 115.29 113.41 1i17 s HIS 97 Ca 0.60 0.70 -0.23 0.00 -0.80 0.00 0.00 55.06 55.33 1i17 s HIS 97 Cb 0.16 -3.76 -0.09 0.00 -1.43 0.00 0.00 32.58 27.46 1i17 s HIS 97 CO -0.05 -2.88 0.86 0.00 -2.00 0.00 0.00 174.74 170.67 1i17 h ASP 99 N 3.22 0.19 0.60 0.00 3.58 -2.02 -3.25 116.42 118.74 1i17 h ASP 99 Ca -0.47 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.90 1i17 h ASP 99 Cb 1.19 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1i17 h ASP 99 CO 0.65 0.21 0.00 2.22 -2.88 0.00 0.00 179.24 179.44 1i17 n PHE 100 N -4.93 0.08 -1.68 0.28 1.16 -1.26 -4.89 117.46 106.23 1i17 n PHE 100 Ca -0.04 0.03 -0.45 0.00 -1.87 0.00 0.00 57.45 55.11 1i17 n PHE 100 Cb 0.07 -0.55 -0.04 0.00 -1.61 0.00 0.00 39.48 37.35 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 -1.57 2.34 -1.65 2.97 8.01 -1.23 -4.95 117.44 121.36 1i17 n TRP 101 Ca 0.04 0.23 -0.32 0.00 -1.31 0.00 0.00 57.50 56.14 1i17 n TRP 101 Cb 0.20 -2.56 0.06 0.00 -2.01 0.00 0.00 31.31 27.00 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 0.97 3.30 -0.52 -0.99 1.02 -1.26 -4.98 118.68 116.22 1i17 s LEU 102 Ca 0.78 1.93 -0.27 0.00 0.02 0.00 0.00 54.13 56.59 1i17 s LEU 102 Cb -0.65 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.01 1i17 s LEU 102 CO 0.37 -1.69 1.66 -0.70 0.02 0.00 0.00 176.35 176.01 1i17 s GLU 103 N -4.31 3.07 0.13 1.70 2.12 -1.26 -4.99 118.70 115.15 1i17 s GLU 103 Ca 0.65 0.74 0.08 0.00 0.36 0.00 0.00 54.97 56.80 1i17 s GLU 103 Cb -0.19 -4.23 -0.04 0.00 0.26 0.00 0.00 34.13 29.93 1i17 s GLU 103 CO 0.45 -2.20 -0.19 1.03 -0.54 0.00 0.00 175.26 173.82 1i17 s ARG 104 N 6.08 1.15 0.67 4.30 1.81 -1.26 -5.17 118.95 126.52 1i17 s ARG 104 Ca 0.64 -1.25 -0.08 0.00 -1.72 0.00 0.00 55.73 53.32 1i17 s ARG 104 Cb -0.14 -1.27 0.03 0.00 -0.45 0.00 0.00 34.95 33.11 1i17 s ARG 104 CO 0.26 0.28 1.01 0.20 -0.68 0.00 0.00 175.30 176.36 1i17 s GLY 105 N -2.25 1.62 0.62 -3.53 0.00 -1.26 -5.08 107.32 97.45 1i17 s GLY 105 Ca 0.10 -0.62 -0.17 0.00 0.00 0.00 0.00 44.72 44.03 1i17 s GLY 105 CO 0.05 -0.27 1.16 0.00 0.00 0.00 0.00 173.10 174.04 1i17 s ALA 106 N -3.20 2.48 0.00 3.20 0.00 -1.26 -5.29 121.76 117.69 1i17 s ALA 106 Ca 0.57 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1i17 s ALA 106 Cb -0.11 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1i17 s ALA 106 CO 0.47 -1.24 0.00 0.00 0.00 0.00 0.00 175.76 175.00