#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 n VAL 2 N 0.00 1.20 -2.50 5.15 3.14 -1.26 -4.96 118.33 119.10 1i17 n VAL 2 Ca 0.00 -0.30 -0.42 0.00 -2.96 0.00 0.00 64.34 60.66 1i17 n VAL 2 Cb 0.00 -1.32 -0.02 0.00 -1.06 0.00 0.00 33.84 31.43 1i17 n VAL 2 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i17 s ALA 3 N -0.33 2.96 -0.25 1.55 0.00 -1.26 -4.86 121.76 119.57 1i17 s ALA 3 Ca 0.66 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 1i17 s ALA 3 Cb -0.68 -4.03 -0.13 0.00 0.00 0.00 0.00 23.12 18.27 1i17 s ALA 3 CO 0.53 -2.68 -0.18 0.39 0.00 0.00 0.00 175.76 173.82 1i17 n GLU 4 N 8.41 0.57 -2.49 0.00 1.02 -1.26 -4.63 120.64 122.26 1i17 n GLU 4 Ca 0.11 0.36 -0.40 0.00 -0.02 0.00 0.00 57.16 57.21 1i17 n GLU 4 Cb 0.49 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1i17 n GLU 4 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1i17 s ASN 5 N -7.12 6.52 0.22 1.62 3.84 -1.26 -4.87 114.94 113.89 1i17 s ASN 5 Ca -0.34 -2.32 0.09 0.00 0.21 0.00 0.00 52.86 50.50 1i17 s ASN 5 Cb 0.11 -2.58 -0.05 0.00 -0.55 0.00 0.00 41.25 38.18 1i17 s ASN 5 CO 0.50 -1.51 -0.16 0.00 -2.79 0.00 0.00 177.10 173.15 1i17 s ARG 6 N 4.62 1.39 -0.33 0.43 1.04 -1.26 -5.05 118.95 119.79 1i17 s ARG 6 Ca 0.56 -1.61 -0.42 0.00 -1.04 0.00 0.00 55.73 53.22 1i17 s ARG 6 Cb 0.03 -1.26 -0.17 0.00 -2.04 0.00 0.00 34.95 31.51 1i17 s ARG 6 CO 0.09 0.22 1.66 -2.30 -0.04 0.00 0.00 175.30 174.92 1i17 n PRO 7 N -0.37 0.72 0.00 3.89 -0.02 -1.26 -1.70 135.00 136.25 1i17 n PRO 7 Ca -0.08 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1i17 n PRO 7 Cb 0.60 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 3.97 1.85 3.74 -1.23 0.00 0.78 -4.63 105.19 109.66 1i17 n GLY 8 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.86 3.85 0.67 4.61 0.00 -0.69 -4.18 121.76 124.16 1i17 s ALA 9 Ca 0.00 1.60 -0.17 0.00 0.00 0.00 0.00 51.96 53.38 1i17 s ALA 9 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1i17 s ALA 9 CO 0.00 -0.97 1.25 -0.06 0.00 0.00 0.00 175.76 175.99 1i17 s PHE 10 N 0.58 2.09 -0.38 0.00 0.08 -1.26 -0.89 117.98 118.20 1i17 s PHE 10 Ca 0.69 1.53 0.04 0.00 0.12 0.00 0.00 56.93 59.31 1i17 s PHE 10 Cb -0.49 -3.60 0.11 0.00 -0.57 0.00 0.00 43.02 38.47 1i17 s PHE 10 CO 0.40 -2.75 0.10 0.42 -0.10 0.00 0.00 175.22 173.29 1i17 s ILE 11 N -1.62 2.29 -1.02 0.64 1.01 0.12 -4.76 121.20 117.86 1i17 s ILE 11 Ca 0.79 -2.52 -0.13 0.00 0.00 0.00 0.00 60.65 58.79 1i17 s ILE 11 Cb -0.34 -2.67 0.22 0.00 0.01 0.00 0.00 42.46 39.68 1i17 s ILE 11 CO 0.41 -0.65 1.08 -0.54 0.00 0.00 0.00 174.94 175.24 1i17 s LYS 12 N 0.67 3.91 0.28 2.79 1.02 -1.26 -1.32 119.74 125.84 1i17 s LYS 12 Ca 0.12 -2.64 0.14 0.00 0.02 0.00 0.00 55.97 53.62 1i17 s LYS 12 Cb -0.20 -4.68 0.25 0.00 -0.52 0.00 0.00 37.83 32.68 1i17 s LYS 12 CO -0.07 -1.44 1.53 1.96 -0.92 0.00 0.00 175.35 176.41 1i17 h GLN 13 N 7.44 0.00 0.00 1.68 4.20 -1.93 -3.48 115.11 123.02 1i17 h GLN 13 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1i17 h GLN 13 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1i17 h GLN 13 CO 1.00 0.56 0.00 0.41 -0.67 0.00 0.00 178.83 180.13 1i17 n GLY 14 N 0.82 0.49 3.71 3.46 0.00 -1.26 -5.03 105.19 107.38 1i17 n GLY 14 Ca 0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.32 4.33 -0.08 1.61 3.52 -1.26 -4.56 118.95 122.18 1i17 s ARG 15 Ca 0.00 2.04 -0.30 0.00 -0.13 0.00 0.00 55.73 57.35 1i17 s ARG 15 Cb 0.00 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1i17 s ARG 15 CO 0.00 -0.43 1.51 0.21 -0.81 0.00 0.00 175.30 175.78 1i17 s LYS 16 N 1.14 4.21 0.79 5.12 2.20 -1.26 -4.89 119.74 127.05 1i17 s LYS 16 Ca 0.64 2.01 -0.03 0.00 -0.36 0.00 0.00 55.97 58.22 1i17 s LYS 16 Cb -0.36 -3.87 0.16 0.00 -1.51 0.00 0.00 37.83 32.25 1i17 s LYS 16 CO 0.30 -0.78 1.09 1.28 -0.36 0.00 0.00 175.35 176.88 1i17 n LEU 17 N 6.79 0.00 -3.69 5.43 4.77 -1.26 -5.11 117.00 123.93 1i17 n LEU 17 Ca 0.16 -2.03 -0.30 0.00 -0.03 0.00 0.00 56.01 53.81 1i17 n LEU 17 Cb 0.43 -0.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.65 1i17 n LEU 17 CO 0.60 -1.09 -0.30 -0.62 -1.33 0.00 0.00 177.39 174.65 1i17 s ASP 18 N -5.31 3.78 -0.03 -1.43 2.15 -1.26 -5.05 116.67 109.50 1i17 s ASP 18 Ca 0.70 -2.04 0.01 0.00 0.43 0.00 0.00 52.55 51.65 1i17 s ASP 18 Cb -0.03 -0.87 0.02 0.00 -0.30 0.00 0.00 42.92 41.73 1i17 s ASP 18 CO 0.47 -0.35 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.43 1i17 s ILE 19 N 1.12 0.54 -1.09 4.11 1.01 -1.26 -5.10 121.20 120.53 1i17 s ILE 19 Ca 0.13 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1i17 s ILE 19 Cb -0.20 -0.54 0.15 0.00 0.01 0.00 0.00 42.46 41.88 1i17 s ILE 19 CO -0.13 0.21 1.31 -0.62 0.00 0.00 0.00 174.94 175.70 1i17 s ASP 20 N 0.65 6.87 0.19 3.58 2.15 -1.26 -4.82 116.67 124.03 1i17 s ASP 20 Ca -0.09 -2.57 -0.11 0.00 0.43 0.00 0.00 52.55 50.22 1i17 s ASP 20 Cb -0.12 -2.41 0.11 0.00 -0.30 0.00 0.00 42.92 40.20 1i17 s ASP 20 CO 0.00 -0.90 1.80 -0.26 -0.17 0.00 0.00 175.17 175.64 1i17 h PHE 21 N 7.90 0.92 0.00 -5.34 0.04 -1.98 -3.50 116.94 114.99 1i17 h PHE 21 Ca 0.25 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1i17 h PHE 21 Cb 0.94 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1i17 h PHE 21 CO 1.14 0.66 0.00 0.41 -0.60 0.00 0.00 178.31 179.92 1i17 n GLY 22 N -1.04 4.14 0.36 -1.45 0.00 -1.26 -4.88 105.19 101.06 1i17 n GLY 22 Ca 0.05 -1.49 0.02 0.00 0.00 0.00 0.00 46.02 44.60 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 0.41 0.03 4.61 0.00 -1.99 0.19 119.26 122.51 1i17 h ALA 23 Ca 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1i17 h ALA 23 Cb 0.00 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1i17 h ALA 23 CO 0.00 -0.49 -0.01 1.49 0.00 0.00 0.00 179.25 180.24 1i17 h GLU 24 N -0.01 -0.03 -0.43 0.00 4.81 -2.00 -2.95 114.58 113.96 1i17 h GLU 24 Ca 0.40 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.54 1i17 h GLU 24 Cb 0.65 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1i17 h GLU 24 CO -0.96 0.13 -0.10 0.78 -0.73 0.00 0.00 179.01 178.13 1i17 h GLY 25 N -0.19 0.83 0.64 1.92 0.00 -1.54 -2.29 103.07 102.44 1i17 h GLY 25 Ca -0.00 -0.61 0.03 0.00 0.00 0.00 0.00 47.33 46.74 1i17 h GLY 25 CO 0.01 0.56 -0.11 3.43 0.00 0.00 0.00 176.54 180.43 1i17 h ASN 26 N 0.70 -0.32 -0.51 0.19 2.35 -0.74 -0.20 115.58 117.04 1i17 h ASN 26 Ca 0.12 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1i17 h ASN 26 Cb 0.57 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 1i17 h ASN 26 CO 0.04 -0.15 0.34 0.03 -1.65 0.00 0.00 177.43 176.04 1i17 h ARG 27 N -0.14 0.67 0.30 0.81 3.08 -1.45 -1.32 114.38 116.32 1i17 h ARG 27 Ca 0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1i17 h ARG 27 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1i17 h ARG 27 CO -0.16 0.44 -0.19 -0.92 -1.07 0.00 0.00 179.97 178.07 1i17 h TYR 28 N 0.69 -0.50 -0.02 3.04 3.20 -1.17 -2.75 116.97 119.46 1i17 h TYR 28 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1i17 h TYR 28 Cb -0.08 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1i17 h TYR 28 CO -0.04 -0.30 -0.13 -0.92 -1.64 0.00 0.00 178.16 175.13 1i17 h TYR 29 N -0.48 -0.33 -1.02 -3.82 3.20 -0.96 -1.31 116.97 112.25 1i17 h TYR 29 Ca -0.03 0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.10 1i17 h TYR 29 Cb 0.40 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 38.73 1i17 h TYR 29 CO -0.10 -0.20 0.65 0.00 -1.64 0.00 0.00 178.16 176.88 1i17 h ALA 30 N 0.76 2.15 0.00 1.82 0.00 -1.23 0.77 119.26 123.54 1i17 h ALA 30 Ca 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1i17 h ALA 30 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1i17 h ALA 30 CO -0.15 -0.54 -0.81 0.00 0.00 0.00 0.00 179.25 177.75 1i17 h ALA 31 N 1.63 0.66 0.00 0.00 0.00 -1.17 -3.42 119.26 116.97 1i17 h ALA 31 Ca 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1i17 h ALA 31 Cb 1.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1i17 h ALA 31 CO -0.30 0.29 -0.04 0.09 0.00 0.00 0.00 179.25 179.29 1i17 n ASN 32 N -2.89 0.96 -0.23 0.00 3.02 -0.52 -4.90 115.26 110.70 1i17 n ASN 32 Ca -0.01 -1.63 0.28 0.00 -0.03 0.00 0.00 54.58 53.19 1i17 n ASN 32 Cb 0.64 -0.05 0.68 0.00 -0.61 0.00 0.00 39.78 40.44 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 0.13 -0.95 3.10 -0.00 -1.13 -1.89 116.97 116.22 1i17 h TYR 33 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 58.73 58.97 1i17 h TYR 33 Cb 0.83 -0.04 -0.06 0.00 0.00 0.00 0.00 36.73 37.46 1i17 h TYR 33 CO 0.01 0.02 0.64 0.11 -0.00 0.00 0.00 178.16 178.94 1i17 h TRP 34 N 0.09 0.41 -0.27 0.10 5.08 -1.87 -2.15 115.95 117.33 1i17 h TRP 34 Ca 0.47 0.01 -0.12 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 27.76 1i17 h TRP 34 CO -0.00 0.08 -0.35 1.96 -1.28 0.00 0.00 178.44 178.85 1i17 h GLN 35 N 0.29 0.59 -7.26 0.12 4.20 -1.73 -3.45 115.11 107.86 1i17 h GLN 35 Ca 0.49 -0.28 -0.50 0.00 0.06 0.00 0.00 58.65 58.43 1i17 h GLN 35 Cb 1.44 -0.01 0.07 0.00 0.30 0.00 0.00 27.48 29.28 1i17 h GLN 35 CO -0.16 0.86 0.38 -0.06 -0.67 0.00 0.00 178.83 179.18 1i17 s PHE 36 N -4.34 3.12 0.74 2.96 0.40 -0.81 -5.07 117.98 114.97 1i17 s PHE 36 Ca -0.08 1.46 -0.11 0.00 -0.60 0.00 0.00 56.93 57.60 1i17 s PHE 36 Cb 0.13 -2.92 0.03 0.00 0.51 0.00 0.00 43.02 40.77 1i17 s PHE 36 CO 0.82 -1.06 1.07 -1.25 0.70 0.00 0.00 175.22 175.50 1i17 s PRO 37 N -4.52 2.60 -0.09 0.24 0.04 -1.26 -4.58 135.00 127.43 1i17 s PRO 37 Ca 0.60 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1i17 s PRO 37 Cb -0.14 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1i17 s PRO 37 CO 0.44 -1.34 -0.04 -3.47 0.04 0.00 0.00 177.00 172.63 1i17 n ASP 38 N -3.30 3.20 -4.22 6.66 2.03 -0.43 -4.95 116.55 115.54 1i17 n ASP 38 Ca 0.08 -0.03 -0.22 0.00 0.52 0.00 0.00 54.79 55.13 1i17 n ASP 38 Cb 0.54 0.17 -0.09 0.00 -0.72 0.00 0.00 41.12 41.02 1i17 n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1i17 s GLY 39 N -4.55 2.28 -0.04 0.27 0.00 -0.70 -4.99 107.32 99.60 1i17 s GLY 39 Ca -0.09 -1.62 -0.00 0.00 0.00 0.00 0.00 44.72 43.00 1i17 s GLY 39 CO 0.26 -1.77 0.02 -0.42 0.00 0.00 0.00 173.10 171.19 1i17 s ILE 40 N -3.35 0.11 -0.40 0.90 1.01 -1.26 -0.70 121.20 117.50 1i17 s ILE 40 Ca 0.31 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 1i17 s ILE 40 Cb 0.05 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.27 1i17 s ILE 40 CO 0.15 0.16 1.50 -0.47 0.00 0.00 0.00 174.94 176.28 1i17 s TYR 41 N 1.44 2.26 -0.02 3.97 5.04 -0.07 -4.94 117.35 125.03 1i17 s TYR 41 Ca -0.04 0.65 -0.18 0.00 -2.44 0.00 0.00 57.07 55.06 1i17 s TYR 41 Cb -0.13 -4.28 0.03 0.00 0.35 0.00 0.00 41.96 37.94 1i17 s TYR 41 CO -0.03 -2.20 0.38 -0.47 -1.34 0.00 0.00 175.55 171.90 1i17 s TYR 42 N 5.81 -0.27 -0.45 4.97 5.04 -1.26 -0.16 117.35 131.03 1i17 s TYR 42 Ca 0.65 0.44 0.07 0.00 -2.44 0.00 0.00 57.07 55.79 1i17 s TYR 42 Cb -0.15 0.16 0.24 0.00 0.35 0.00 0.00 41.96 42.55 1i17 s TYR 42 CO 0.33 -0.43 0.55 0.39 -1.34 0.00 0.00 175.55 175.05 1i17 n GLU 43 N 1.23 1.07 -0.04 4.97 1.02 -1.26 -4.98 120.64 122.65 1i17 n GLU 43 Ca -0.21 -3.55 -0.04 0.00 -0.02 0.00 0.00 57.16 53.33 1i17 n GLU 43 Cb 0.56 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 1i17 n GLU 43 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1i17 h GLY 44 N 4.23 -0.03 -3.51 0.62 0.00 -1.99 -3.47 103.07 98.91 1i17 h GLY 44 Ca 0.12 0.01 -0.54 0.00 0.00 0.00 0.00 47.33 46.92 1i17 h GLY 44 CO 0.54 -0.01 0.68 0.00 0.00 0.00 0.00 176.54 177.75 1i17 n SER 46 N 0.04 -0.40 -4.07 0.00 2.88 -1.26 -5.16 113.62 105.65 1i17 n SER 46 Ca 0.04 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 1i17 n SER 46 Cb 0.42 0.54 -0.09 0.00 -0.75 0.00 0.00 64.21 64.32 1i17 n SER 46 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1i17 s GLU 47 N -2.00 0.83 0.60 -1.46 -1.05 -1.26 -5.07 118.70 109.29 1i17 s GLU 47 Ca 0.00 -1.27 0.29 0.00 -0.15 0.00 0.00 54.97 53.84 1i17 s GLU 47 Cb 0.00 0.26 1.49 0.00 -0.44 0.00 0.00 34.13 35.44 1i17 s GLU 47 CO 0.00 -0.23 1.90 0.00 0.95 0.00 0.00 175.26 177.88 1i17 h ALA 48 N 2.91 2.05 -0.20 -0.84 0.00 -2.02 -0.47 119.26 120.68 1i17 h ALA 48 Ca -0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1i17 h ALA 48 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1i17 h ALA 48 CO 0.60 -0.65 0.07 -0.91 0.00 0.00 0.00 179.25 178.36 1i17 h ASN 49 N 0.00 0.24 -2.97 0.00 2.35 -1.98 -3.42 115.58 109.81 1i17 h ASN 49 Ca 0.18 -0.02 -0.55 0.00 -0.55 0.00 0.00 56.30 55.36 1i17 h ASN 49 Cb 1.09 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1i17 h ASN 49 CO -0.00 0.23 0.80 -0.69 -1.65 0.00 0.00 177.43 176.12 1i17 s VAL 50 N -5.15 4.00 0.51 2.81 1.01 -0.19 -5.05 120.40 118.34 1i17 s VAL 50 Ca -0.06 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.29 1i17 s VAL 50 Cb 0.17 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1i17 s VAL 50 CO 0.71 -0.02 0.25 0.42 0.00 0.00 0.00 175.10 176.46 1i17 s THR 51 N 2.53 1.66 0.09 3.92 -4.23 -1.26 -4.92 115.64 113.43 1i17 s THR 51 Ca 0.60 -1.67 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 1i17 s THR 51 Cb -0.28 -2.33 -0.15 0.00 1.34 0.00 0.00 72.50 71.08 1i17 s THR 51 CO 0.23 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.47 1i17 h LYS 52 N 1.05 -0.58 -0.90 3.99 3.64 -1.98 -0.88 116.57 120.90 1i17 h LYS 52 Ca -0.40 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.16 1i17 h LYS 52 Cb 1.30 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 1i17 h LYS 52 CO 0.64 -0.38 0.58 1.05 -2.27 0.00 0.00 179.45 179.07 1i17 h GLU 53 N -0.60 0.70 0.60 1.90 4.11 -2.00 0.13 114.58 119.42 1i17 h GLU 53 Ca -0.04 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 1i17 h GLU 53 Cb 0.50 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1i17 h GLU 53 CO 0.04 0.46 -0.29 0.52 0.07 0.00 0.00 179.01 179.81 1i17 h MET 54 N 0.72 -0.77 -0.04 1.06 2.86 -1.94 -3.27 114.93 113.55 1i17 h MET 54 Ca 0.45 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 58.18 1i17 h MET 54 Cb 0.69 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 1i17 h MET 54 CO -0.21 -0.47 -0.19 1.25 1.06 0.00 0.00 176.91 178.35 1i17 h LEU 55 N -0.93 -0.57 0.19 1.22 6.46 -0.01 -1.59 115.31 120.08 1i17 h LEU 55 Ca -0.08 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1i17 h LEU 55 Cb 0.66 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1i17 h LEU 55 CO 0.13 -0.25 -0.10 0.58 -0.62 0.00 0.00 178.44 178.18 1i17 h VAL 56 N -0.29 0.79 -0.20 1.05 2.07 -1.15 0.17 116.25 118.68 1i17 h VAL 56 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1i17 h VAL 56 Cb 0.38 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1i17 h VAL 56 CO -0.20 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.25 1i17 h THR 57 N -0.27 1.03 -0.81 2.57 2.02 -1.60 -2.22 112.91 113.62 1i17 h THR 57 Ca -0.02 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1i17 h THR 57 Cb 0.22 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1i17 h THR 57 CO 0.03 0.05 0.44 0.28 0.37 0.00 0.00 175.52 176.69 1i17 h SER 58 N 0.25 1.01 -0.04 4.18 0.02 -1.06 -1.60 113.55 116.31 1i17 h SER 58 Ca 0.08 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1i17 h SER 58 Cb -0.01 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1i17 h SER 58 CO -0.03 0.81 -0.01 0.00 -1.14 0.00 0.00 176.83 176.45 1i17 h VAL 60 N -0.01 0.74 -0.51 0.00 2.07 -1.18 0.42 116.25 117.78 1i17 h VAL 60 Ca 0.02 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1i17 h VAL 60 Cb 0.04 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1i17 h VAL 60 CO -0.04 0.01 0.30 0.78 0.02 0.00 0.00 177.57 178.64 1i17 h ASN 61 N 0.05 0.48 -0.41 0.57 2.35 -1.10 -1.27 115.58 116.25 1i17 h ASN 61 Ca 0.15 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1i17 h ASN 61 Cb 0.21 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1i17 h ASN 61 CO -0.27 0.34 0.22 0.00 -1.65 0.00 0.00 177.43 176.06 1i17 h ALA 62 N 1.23 0.52 -0.31 -0.83 0.00 -0.49 -2.37 119.26 117.01 1i17 h ALA 62 Ca 0.21 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1i17 h ALA 62 Cb 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1i17 h ALA 62 CO -0.10 0.05 0.00 1.15 0.00 0.00 0.00 179.25 180.35 1i17 h THR 63 N 0.52 0.78 -0.02 0.00 2.02 -0.65 0.13 112.91 115.69 1i17 h THR 63 Ca 0.14 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.31 1i17 h THR 63 Cb 0.06 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 1i17 h THR 63 CO -0.02 0.02 -0.53 1.56 0.37 0.00 0.00 175.52 176.92 1i17 h GLN 64 N 0.09 -0.63 -0.99 6.66 4.20 -1.16 -1.83 115.11 121.45 1i17 h GLN 64 Ca 0.15 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.98 1i17 h GLN 64 Cb 0.20 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 1i17 h GLN 64 CO -0.25 -0.42 0.63 0.00 -0.67 0.00 0.00 178.83 178.12 1i17 h ALA 65 N -0.36 1.41 -0.17 3.87 0.00 -1.08 -2.96 119.26 119.97 1i17 h ALA 65 Ca 0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1i17 h ALA 65 Cb 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1i17 h ALA 65 CO -0.37 0.34 -0.35 0.00 0.00 0.00 0.00 179.25 178.88 1i17 h ALA 66 N 1.48 0.27 -0.81 0.00 0.00 -0.85 -3.37 119.26 115.97 1i17 h ALA 66 Ca 0.45 -0.43 -0.57 0.00 0.00 0.00 0.00 54.91 54.35 1i17 h ALA 66 Cb 0.28 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 17.66 1i17 h ALA 66 CO -0.21 0.33 -0.25 0.09 0.00 0.00 0.00 179.25 179.21 1i17 n ASN 67 N -4.32 5.69 -0.13 0.00 3.02 -0.70 -4.87 115.26 113.95 1i17 n ASN 67 Ca -0.06 -3.77 -0.05 0.00 -0.03 0.00 0.00 54.58 50.67 1i17 n ASN 67 Cb 0.51 -0.56 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 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 2.07 -0.04 -0.39 3.52 1.08 -1.70 -2.85 115.11 116.79 1i17 h GLN 68 Ca 0.44 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.71 1i17 h GLN 68 Cb 1.31 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.69 1i17 h GLN 68 CO 1.01 -0.03 0.03 0.00 -0.95 0.00 0.00 178.83 178.89 1i17 h ALA 69 N 1.34 0.39 0.19 3.87 0.00 -1.90 -0.25 119.26 122.90 1i17 h ALA 69 Ca 0.20 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1i17 h ALA 69 Cb 0.35 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1i17 h ALA 69 CO -0.45 -0.37 -0.29 0.93 0.00 0.00 0.00 179.25 179.07 1i17 h GLU 70 N 0.14 -0.53 -0.10 0.00 4.39 -1.92 -1.69 114.58 114.87 1i17 h GLU 70 Ca 0.19 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.94 1i17 h GLU 70 Cb 0.26 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1i17 h GLU 70 CO -0.29 -0.35 0.03 0.74 -1.16 0.00 0.00 179.01 177.97 1i17 h PHE 71 N -0.55 0.05 -0.42 4.33 0.04 -1.49 -2.44 116.94 116.46 1i17 h PHE 71 Ca 0.01 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1i17 h PHE 71 Cb 0.55 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.62 1i17 h PHE 71 CO -0.23 0.03 0.04 0.77 -0.60 0.00 0.00 178.31 178.32 1i17 h SER 72 N 0.08 -0.08 0.18 2.17 0.02 -0.87 0.01 113.55 115.05 1i17 h SER 72 Ca 0.04 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1i17 h SER 72 Cb 0.02 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1i17 h SER 72 CO -0.04 -0.01 -0.09 0.03 -1.14 0.00 0.00 176.83 175.58 1i17 h ARG 73 N 0.16 -0.23 0.68 3.45 2.47 -1.31 -3.38 114.38 116.22 1i17 h ARG 73 Ca 0.21 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1i17 h ARG 73 Cb 0.28 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1i17 h ARG 73 CO -0.31 -0.02 -0.32 0.93 0.56 0.00 0.00 179.97 180.81 1i17 h GLU 74 N -0.41 -0.88 -1.00 0.04 4.39 -1.21 -3.37 114.58 112.14 1i17 h GLU 74 Ca -0.02 0.06 0.34 0.00 0.34 0.00 0.00 59.36 60.07 1i17 h GLU 74 Cb 0.32 0.20 -0.15 0.00 -0.10 0.00 0.00 28.75 29.02 1i17 h GLU 74 CO 0.04 -0.57 0.56 -0.22 -1.16 0.00 0.00 179.01 177.67 1i17 h LYS 75 N -1.20 0.26 -0.76 2.33 3.64 -1.16 0.13 116.57 119.81 1i17 h LYS 75 Ca -0.09 -0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.44 1i17 h LYS 75 Cb 0.71 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1i17 h LYS 75 CO 0.15 0.17 0.51 1.96 -2.27 0.00 0.00 179.45 179.98 1i17 h GLN 76 N 0.27 0.32 0.00 1.90 1.08 -1.73 -3.38 115.11 113.57 1i17 h GLN 76 Ca 0.75 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.94 1i17 h GLN 76 Cb 1.77 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 29.13 1i17 h GLN 76 CO -0.63 0.21 -0.23 -3.47 -0.95 0.00 0.00 178.83 173.77 1i17 n ASP 77 N -4.46 1.01 -3.42 1.46 2.03 -0.61 -4.97 116.55 107.59 1i17 n ASP 77 Ca 0.15 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.09 1i17 n ASP 77 Cb 0.59 0.06 -0.02 0.00 -0.72 0.00 0.00 41.12 41.03 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 -1.29 6.22 0.04 1.67 2.88 0.37 -4.82 113.62 118.69 1i17 n SER 78 Ca 0.00 -2.60 -0.12 0.00 -1.33 0.00 0.00 58.87 54.82 1i17 n SER 78 Cb 0.11 -1.45 -0.08 0.00 -0.75 0.00 0.00 64.21 62.04 1i17 n SER 78 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1i17 h LYS 79 N 5.78 -0.50 -0.41 -1.46 3.64 -1.84 -2.82 116.57 118.96 1i17 h LYS 79 Ca 0.68 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 60.07 1i17 h LYS 79 Cb 0.38 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1i17 h LYS 79 CO 1.76 -0.33 0.16 1.25 -2.27 0.00 0.00 179.45 180.02 1i17 h LEU 80 N -0.51 0.58 -0.55 5.20 5.85 -2.00 -3.25 115.31 120.62 1i17 h LEU 80 Ca 0.01 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.67 1i17 h LEU 80 Cb 0.56 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 1i17 h LEU 80 CO -0.29 0.59 0.01 -0.74 -0.34 0.00 0.00 178.44 177.68 1i17 h HIS 81 N 0.53 -0.01 -0.38 1.25 2.76 -1.92 -2.22 115.15 115.16 1i17 h HIS 81 Ca 0.14 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.42 1i17 h HIS 81 Cb 0.20 0.09 -0.09 0.00 1.55 0.00 0.00 27.41 29.16 1i17 h HIS 81 CO 0.00 -0.12 -0.38 1.96 -1.30 0.00 0.00 177.93 178.09 1i17 h GLN 82 N 0.13 -0.30 0.02 5.26 1.08 -1.54 0.10 115.11 119.87 1i17 h GLN 82 Ca 0.29 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.53 1i17 h GLN 82 Cb 0.44 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1i17 h GLN 82 CO -0.46 -0.20 -0.25 0.00 -0.95 0.00 0.00 178.83 176.98 1i17 h ARG 83 N -0.31 -0.38 -0.01 1.46 -0.00 -1.52 0.12 114.38 113.74 1i17 h ARG 83 Ca 0.15 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.66 1i17 h ARG 83 Cb 0.57 0.09 -0.00 0.00 0.00 0.00 0.00 29.97 30.62 1i17 h ARG 83 CO -0.54 -0.25 0.00 0.28 0.00 0.00 0.00 179.97 179.46 1i17 h VAL 84 N -0.39 1.00 -0.27 2.04 2.07 -1.32 -2.36 116.25 117.02 1i17 h VAL 84 Ca 0.06 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1i17 h VAL 84 Cb 0.47 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1i17 h VAL 84 CO -0.21 0.00 0.17 0.25 0.02 0.00 0.00 177.57 177.80 1i17 h LEU 85 N 0.00 0.32 -0.78 2.57 5.85 -0.58 -0.45 115.31 122.23 1i17 h LEU 85 Ca 0.00 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1i17 h LEU 85 Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1i17 h LEU 85 CO -0.00 0.25 0.48 -0.50 -0.34 0.00 0.00 178.44 178.33 1i17 h TRP 86 N 0.35 1.02 -0.32 1.25 4.06 -0.98 -0.46 115.95 120.88 1i17 h TRP 86 Ca 0.10 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.07 1i17 h TRP 86 Cb -0.01 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 27.78 1i17 h TRP 86 CO -0.05 0.68 0.15 -0.09 -3.56 0.00 0.00 178.44 175.57 1i17 h ARG 87 N 1.07 0.31 -0.10 0.49 9.65 -1.21 -0.33 114.38 124.27 1i17 h ARG 87 Ca 0.28 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.19 1i17 h ARG 87 Cb -0.06 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.39 1i17 h ARG 87 CO -0.05 0.20 -0.38 1.25 2.80 0.00 0.00 179.97 183.78 1i17 h LEU 88 N 0.31 -1.19 -0.19 3.80 7.12 -0.60 0.39 115.31 124.96 1i17 h LEU 88 Ca 0.13 0.16 0.05 0.00 0.13 0.00 0.00 57.88 58.35 1i17 h LEU 88 Cb 0.06 0.48 -0.05 0.00 -0.53 0.00 0.00 40.66 40.62 1i17 h LEU 88 CO -0.10 -0.41 -0.12 0.40 -0.13 0.00 0.00 178.44 178.08 1i17 h ILE 89 N -0.48 0.64 -0.45 4.05 2.04 -1.02 -2.16 117.51 120.13 1i17 h ILE 89 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1i17 h ILE 89 Cb 0.61 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1i17 h ILE 89 CO -0.36 0.00 0.25 0.50 0.00 0.00 0.00 178.15 178.54 1i17 h LYS 90 N -0.12 0.48 -0.25 2.37 3.64 -0.75 0.06 116.57 122.00 1i17 h LYS 90 Ca 0.11 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1i17 h LYS 90 Cb 0.28 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 1i17 h LYS 90 CO -0.26 0.32 -0.18 0.93 -2.27 0.00 0.00 179.45 177.98 1i17 h GLU 91 N 0.49 -0.16 0.15 1.90 4.39 -0.69 0.11 114.58 120.77 1i17 h GLU 91 Ca 0.19 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.91 1i17 h GLU 91 Cb 0.06 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1i17 h GLU 91 CO -0.11 -0.11 -0.26 0.82 -1.16 0.00 0.00 179.01 178.20 1i17 h ILE 92 N -0.16 0.44 -0.69 3.13 2.04 -1.03 -0.36 117.51 120.87 1i17 h ILE 92 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1i17 h ILE 92 Cb 0.38 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1i17 h ILE 92 CO -0.35 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.19 1i17 h SER 94 N 0.73 0.51 -0.11 0.00 0.87 -0.68 -3.36 113.55 111.50 1i17 h SER 94 Ca 0.30 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1i17 h SER 94 Cb 0.17 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1i17 h SER 94 CO -0.17 0.60 0.02 0.00 -0.53 0.00 0.00 176.83 176.74 1i17 h ALA 95 N 0.93 0.11 -2.91 6.23 0.00 -0.79 -3.43 119.26 119.40 1i17 h ALA 95 Ca 0.11 0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.50 1i17 h ALA 95 Cb 0.28 0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.19 1i17 h ALA 95 CO -0.00 -0.44 0.77 -1.59 0.00 0.00 0.00 179.25 177.99 1i17 s LYS 96 N -6.19 4.16 0.26 0.00 -2.85 -1.14 -5.05 119.74 108.93 1i17 s LYS 96 Ca -0.13 2.50 0.01 0.00 -1.00 0.00 0.00 55.97 57.36 1i17 s LYS 96 Cb 0.08 -3.00 -0.05 0.00 -2.06 0.00 0.00 37.83 32.80 1i17 s LYS 96 CO 0.68 -0.48 0.10 -1.01 0.10 0.00 0.00 175.35 174.73 1i17 s HIS 97 N -0.94 1.56 -0.03 1.78 3.76 -1.26 -5.01 115.29 115.15 1i17 s HIS 97 Ca 0.54 -1.18 0.05 0.00 -0.15 0.00 0.00 55.06 54.32 1i17 s HIS 97 Cb -0.45 -0.91 -0.01 0.00 1.11 0.00 0.00 32.58 32.31 1i17 s HIS 97 CO 0.59 -0.33 -0.19 0.00 -0.85 0.00 0.00 174.74 173.96 1i17 h ASP 99 N 5.90 0.46 0.71 0.00 3.58 -2.03 -2.87 116.42 122.18 1i17 h ASP 99 Ca -0.36 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1i17 h ASP 99 Cb 1.16 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1i17 h ASP 99 CO 0.48 0.31 0.00 2.22 -2.88 0.00 0.00 179.24 179.37 1i17 n PHE 100 N -4.83 0.35 -1.69 0.28 1.16 -1.26 -4.87 117.46 106.60 1i17 n PHE 100 Ca 0.06 0.13 -0.45 0.00 -1.87 0.00 0.00 57.45 55.33 1i17 n PHE 100 Cb 0.15 -0.71 -0.04 0.00 -1.61 0.00 0.00 39.48 37.28 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 -1.81 2.46 -4.17 2.97 8.01 -1.09 -4.87 117.44 118.95 1i17 n TRP 101 Ca 0.04 0.14 -0.15 0.00 -1.31 0.00 0.00 57.50 56.22 1i17 n TRP 101 Cb 0.23 -2.61 -0.07 0.00 -2.01 0.00 0.00 31.31 26.85 1i17 n TRP 101 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.69 176.20 1i17 s LEU 102 N 1.33 1.22 0.00 -0.99 0.05 -1.26 -5.09 118.68 113.94 1i17 s LEU 102 Ca 0.79 -1.49 0.00 0.00 0.05 0.00 0.00 54.13 53.47 1i17 s LEU 102 Cb -0.61 0.93 0.00 0.00 -2.05 0.00 0.00 46.19 44.46 1i17 s LEU 102 CO 0.37 -1.09 0.00 1.21 -0.55 0.00 0.00 176.35 176.29 1i17 n GLU 103 N -0.49 0.00 -2.26 1.48 2.13 -1.26 -5.10 120.64 115.14 1i17 n GLU 103 Ca 0.03 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.44 1i17 n GLU 103 Cb 0.63 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.31 1i17 n GLU 103 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1i17 s ARG 104 N -0.58 4.44 -0.03 5.31 3.52 -1.26 -5.00 118.95 125.34 1i17 s ARG 104 Ca 0.00 2.03 -0.18 0.00 -0.13 0.00 0.00 55.73 57.45 1i17 s ARG 104 Cb 0.00 -3.17 -0.10 0.00 -1.56 0.00 0.00 34.95 30.12 1i17 s ARG 104 CO 0.00 -0.14 0.73 0.78 -0.81 0.00 0.00 175.30 175.86 1i17 h GLY 105 N 4.63 -0.57 -4.79 8.12 0.00 -2.07 -3.44 103.07 104.95 1i17 h GLY 105 Ca -0.46 0.21 -0.53 0.00 0.00 0.00 0.00 47.33 46.55 1i17 h GLY 105 CO 0.72 -0.21 0.94 0.00 0.00 0.00 0.00 176.54 177.99 1i17 s ALA 106 N -4.05 3.72 -2.00 3.60 0.00 -1.26 -5.25 121.76 116.52 1i17 s ALA 106 Ca -0.09 1.26 0.13 0.00 0.00 0.00 0.00 51.96 53.26 1i17 s ALA 106 Cb 0.01 -3.66 0.76 0.00 0.00 0.00 0.00 23.12 20.23 1i17 s ALA 106 CO 0.30 -0.95 1.19 0.00 0.00 0.00 0.00 175.76 176.29