#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 s VAL 2 N 0.00 2.33 0.21 8.89 0.11 -1.26 -5.06 120.40 125.62 1i17 s VAL 2 Ca 0.00 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.29 1i17 s VAL 2 Cb 0.00 -3.10 -0.01 0.00 -1.53 0.00 0.00 36.38 31.74 1i17 s VAL 2 CO 0.00 -0.03 0.22 0.00 -3.33 0.00 0.00 175.10 171.96 1i17 n ALA 3 N -1.45 0.20 0.32 1.54 0.00 -1.26 -5.04 120.51 114.81 1i17 n ALA 3 Ca 0.13 -1.13 0.13 0.00 0.00 0.00 0.00 53.44 52.57 1i17 n ALA 3 Cb 0.48 0.91 0.57 0.00 0.00 0.00 0.00 19.45 21.41 1i17 n ALA 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1i17 h GLU 4 N 0.00 0.00 -2.23 0.00 4.11 -2.02 -3.21 114.58 111.23 1i17 h GLU 4 Ca -0.15 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.70 1i17 h GLU 4 Cb 0.74 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.57 1i17 h GLU 4 CO 0.22 0.00 -0.70 -1.71 0.07 0.00 0.00 179.01 176.89 1i17 n ASN 5 N -2.36 4.16 -4.83 3.06 5.15 -1.26 -4.96 115.26 114.21 1i17 n ASN 5 Ca 0.01 -3.62 -0.35 0.00 -0.60 0.00 0.00 54.58 50.02 1i17 n ASN 5 Cb 0.18 -0.56 -0.06 0.00 -0.53 0.00 0.00 39.78 38.81 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 -3.38 4.13 -0.28 1.20 1.70 -1.22 -4.98 118.95 116.12 1i17 s ARG 6 Ca 0.48 0.75 -0.39 0.00 -0.47 0.00 0.00 55.73 56.10 1i17 s ARG 6 Cb 0.29 -2.74 -0.14 0.00 -0.57 0.00 0.00 34.95 31.78 1i17 s ARG 6 CO -0.14 0.33 1.87 -2.30 -1.08 0.00 0.00 175.30 173.99 1i17 n PRO 7 N 0.38 1.22 0.00 3.89 -0.02 -1.26 -1.15 135.00 138.05 1i17 n PRO 7 Ca -0.01 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1i17 n PRO 7 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 4.85 2.46 3.75 -1.23 0.00 0.60 -4.54 105.19 111.07 1i17 n GLY 8 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.44 2.62 -1.74 4.61 0.00 -0.30 -4.22 120.51 121.04 1i17 n ALA 9 Ca 0.00 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.44 1i17 n ALA 9 Cb 0.00 -2.47 0.05 0.00 0.00 0.00 0.00 19.45 17.03 1i17 n ALA 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1i17 s PHE 10 N 0.03 2.20 -0.39 0.00 0.08 -1.26 -0.89 117.98 117.75 1i17 s PHE 10 Ca 0.64 1.44 0.03 0.00 0.12 0.00 0.00 56.93 59.16 1i17 s PHE 10 Cb -0.49 -3.72 0.11 0.00 -0.57 0.00 0.00 43.02 38.34 1i17 s PHE 10 CO 0.48 -2.85 0.12 0.42 -0.10 0.00 0.00 175.22 173.28 1i17 s ILE 11 N -1.37 2.53 -0.68 0.64 1.01 0.04 -4.77 121.20 118.60 1i17 s ILE 11 Ca 0.77 -2.47 -0.19 0.00 0.00 0.00 0.00 60.65 58.76 1i17 s ILE 11 Cb -0.38 -2.82 0.11 0.00 0.01 0.00 0.00 42.46 39.38 1i17 s ILE 11 CO 0.43 -0.65 0.83 -0.54 0.00 0.00 0.00 174.94 175.00 1i17 s LYS 12 N 0.73 3.19 0.12 2.79 1.02 -1.26 -1.04 119.74 125.30 1i17 s LYS 12 Ca 0.12 -1.40 0.23 0.00 0.02 0.00 0.00 55.97 54.94 1i17 s LYS 12 Cb -0.21 -4.38 0.19 0.00 -0.52 0.00 0.00 37.83 32.91 1i17 s LYS 12 CO -0.06 -1.61 1.18 1.04 -0.92 0.00 0.00 175.35 174.98 1i17 n GLN 13 N 6.42 0.37 -0.99 1.68 6.02 -1.26 -4.95 117.38 124.67 1i17 n GLN 13 Ca -0.01 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1i17 n GLN 13 Cb 0.44 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 1.31 0.56 3.69 1.08 0.00 -1.26 -5.02 105.19 105.55 1i17 n GLY 14 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.17 4.28 -0.44 1.61 3.52 -1.26 -4.71 118.95 121.78 1i17 s ARG 15 Ca 0.00 1.98 -0.28 0.00 -0.13 0.00 0.00 55.73 57.30 1i17 s ARG 15 Cb 0.00 -3.58 -0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1i17 s ARG 15 CO 0.00 -0.59 1.61 0.21 -0.81 0.00 0.00 175.30 175.72 1i17 s LYS 16 N 2.44 3.31 0.96 5.12 2.20 -1.26 -4.89 119.74 127.62 1i17 s LYS 16 Ca 0.64 0.98 -0.14 0.00 -0.36 0.00 0.00 55.97 57.10 1i17 s LYS 16 Cb -0.32 -4.15 0.17 0.00 -1.51 0.00 0.00 37.83 32.02 1i17 s LYS 16 CO 0.27 -1.90 1.17 -0.51 -0.36 0.00 0.00 175.35 174.02 1i17 s LEU 17 N 6.57 1.95 -0.48 5.43 1.43 -1.26 -5.07 118.68 127.25 1i17 s LEU 17 Ca 0.67 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 1i17 s LEU 17 Cb -0.16 -2.95 0.13 0.00 0.03 0.00 0.00 46.19 43.23 1i17 s LEU 17 CO 0.30 -2.81 0.23 -0.62 0.23 0.00 0.00 176.35 173.68 1i17 s ASP 18 N -4.19 4.15 -0.06 2.29 2.15 -1.26 -5.07 116.67 114.68 1i17 s ASP 18 Ca 0.67 -2.80 0.01 0.00 0.43 0.00 0.00 52.55 50.85 1i17 s ASP 18 Cb -0.12 -1.45 0.02 0.00 -0.30 0.00 0.00 42.92 41.08 1i17 s ASP 18 CO 0.53 -0.26 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.60 1i17 s ILE 19 N 0.04 0.65 -1.09 4.11 1.01 -1.26 -5.09 121.20 119.58 1i17 s ILE 19 Ca 0.16 -0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 1i17 s ILE 19 Cb -0.25 -0.69 0.09 0.00 0.01 0.00 0.00 42.46 41.63 1i17 s ILE 19 CO -0.01 0.27 1.43 -0.62 0.00 0.00 0.00 174.94 176.01 1i17 s ASP 20 N 1.21 6.70 0.12 3.58 2.15 -1.26 -4.81 116.67 124.36 1i17 s ASP 20 Ca -0.06 -2.07 -0.18 0.00 0.43 0.00 0.00 52.55 50.67 1i17 s ASP 20 Cb -0.14 -2.50 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 1i17 s ASP 20 CO -0.02 -1.20 1.71 -0.26 -0.17 0.00 0.00 175.17 175.23 1i17 h PHE 21 N 8.63 0.45 0.00 -5.34 0.04 -1.98 -3.50 116.94 115.23 1i17 h PHE 21 Ca 0.26 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1i17 h PHE 21 Cb 0.96 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.97 1i17 h PHE 21 CO 1.26 0.38 0.00 0.41 -0.60 0.00 0.00 178.31 179.76 1i17 n GLY 22 N -0.90 3.72 0.38 -1.45 0.00 -1.26 -4.88 105.19 100.81 1i17 n GLY 22 Ca -0.01 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.15 0.01 4.61 0.00 -1.99 0.18 119.26 121.93 1i17 h ALA 23 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1i17 h ALA 23 Cb 0.00 1.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1i17 h ALA 23 CO 0.00 -0.75 -0.00 0.93 0.00 0.00 0.00 179.25 179.42 1i17 h GLU 24 N -0.12 -0.01 -0.69 0.00 4.39 -2.00 -2.89 114.58 113.25 1i17 h GLU 24 Ca 0.24 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.87 1i17 h GLU 24 Cb 0.55 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1i17 h GLU 24 CO -0.81 0.19 0.17 0.78 -1.16 0.00 0.00 179.01 178.18 1i17 h GLY 25 N -0.22 1.19 0.66 -3.84 0.00 -1.66 -0.36 103.07 98.85 1i17 h GLY 25 Ca -0.00 -0.74 0.03 0.00 0.00 0.00 0.00 47.33 46.61 1i17 h GLY 25 CO 0.00 0.69 -0.10 3.43 0.00 0.00 0.00 176.54 180.57 1i17 h ASN 26 N 1.05 -0.29 -0.53 0.19 2.35 -0.74 0.17 115.58 117.78 1i17 h ASN 26 Ca 0.22 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1i17 h ASN 26 Cb 0.37 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1i17 h ASN 26 CO 0.00 -0.13 0.18 0.03 -1.65 0.00 0.00 177.43 175.86 1i17 h ARG 27 N -0.13 0.81 0.32 0.81 3.08 -1.28 -1.38 114.38 116.61 1i17 h ARG 27 Ca 0.06 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1i17 h ARG 27 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1i17 h ARG 27 CO -0.15 0.73 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.38 1i17 h TYR 28 N 0.72 -0.45 0.05 3.04 3.20 -0.91 -2.75 116.97 119.87 1i17 h TYR 28 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1i17 h TYR 28 Cb 0.25 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1i17 h TYR 28 CO 0.01 -0.28 -0.14 -0.92 -1.64 0.00 0.00 178.16 175.19 1i17 h TYR 29 N -0.46 -0.37 -1.01 -3.82 3.20 -0.94 -1.70 116.97 111.87 1i17 h TYR 29 Ca -0.04 0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.09 1i17 h TYR 29 Cb 0.37 0.16 -0.09 0.00 1.54 0.00 0.00 36.73 38.70 1i17 h TYR 29 CO -0.07 -0.21 0.65 0.00 -1.64 0.00 0.00 178.16 176.89 1i17 h ALA 30 N 0.64 2.16 0.00 1.82 0.00 -1.24 0.11 119.26 122.75 1i17 h ALA 30 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1i17 h ALA 30 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1i17 h ALA 30 CO -0.10 -0.55 -0.58 0.00 0.00 0.00 0.00 179.25 178.02 1i17 h ALA 31 N 1.62 0.72 0.00 0.00 0.00 -1.19 -3.42 119.26 117.00 1i17 h ALA 31 Ca 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1i17 h ALA 31 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1i17 h ALA 31 CO -0.29 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.13 1i17 n ASN 32 N -2.89 0.78 -0.17 0.00 3.02 -0.45 -4.91 115.26 110.64 1i17 n ASN 32 Ca 0.01 -1.36 0.29 0.00 -0.03 0.00 0.00 54.58 53.49 1i17 n ASN 32 Cb 0.57 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.46 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 0.00 -0.95 3.10 -0.00 -1.08 -1.56 116.97 116.47 1i17 h TYR 33 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 58.73 58.96 1i17 h TYR 33 Cb 0.71 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.37 1i17 h TYR 33 CO 0.00 0.00 0.63 0.11 -0.00 0.00 0.00 178.16 178.90 1i17 h TRP 34 N 0.00 0.50 -0.23 0.10 5.08 -1.87 -2.34 115.95 117.18 1i17 h TRP 34 Ca 0.42 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 60.26 1i17 h TRP 34 Cb 1.73 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 27.74 1i17 h TRP 34 CO 0.00 0.10 -0.48 1.96 -1.28 0.00 0.00 178.44 178.74 1i17 h GLN 35 N 0.35 0.62 -7.28 0.12 4.20 -1.70 -3.45 115.11 107.97 1i17 h GLN 35 Ca 0.50 -0.36 -0.50 0.00 0.06 0.00 0.00 58.65 58.35 1i17 h GLN 35 Cb 1.35 0.03 0.09 0.00 0.30 0.00 0.00 27.48 29.25 1i17 h GLN 35 CO -0.18 0.96 0.37 -0.06 -0.67 0.00 0.00 178.83 179.25 1i17 s PHE 36 N -4.13 3.03 0.64 2.96 0.40 -0.88 -5.07 117.98 114.92 1i17 s PHE 36 Ca -0.08 1.47 -0.14 0.00 -0.60 0.00 0.00 56.93 57.58 1i17 s PHE 36 Cb 0.12 -2.94 -0.01 0.00 0.51 0.00 0.00 43.02 40.69 1i17 s PHE 36 CO 0.84 -1.22 1.07 -1.25 0.70 0.00 0.00 175.22 175.36 1i17 s PRO 37 N -4.66 3.05 -0.13 0.24 0.04 -1.26 -4.68 135.00 127.60 1i17 s PRO 37 Ca 0.60 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1i17 s PRO 37 Cb -0.15 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1i17 s PRO 37 CO 0.48 -1.02 -0.09 -3.47 0.04 0.00 0.00 177.00 172.94 1i17 n ASP 38 N -2.50 2.89 -4.30 6.66 2.03 -0.20 -4.95 116.55 116.17 1i17 n ASP 38 Ca 0.09 -0.06 -0.25 0.00 0.52 0.00 0.00 54.79 55.09 1i17 n ASP 38 Cb 0.53 -0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 40.80 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 -5.10 2.47 -0.05 0.27 0.00 -0.63 -5.00 107.32 99.28 1i17 s GLY 39 Ca -0.16 -1.43 -0.00 0.00 0.00 0.00 0.00 44.72 43.14 1i17 s GLY 39 CO 0.32 -1.87 -0.02 -0.42 0.00 0.00 0.00 173.10 171.12 1i17 s ILE 40 N -3.20 0.42 -0.71 0.90 1.01 -1.26 -0.78 121.20 117.58 1i17 s ILE 40 Ca 0.26 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.66 1i17 s ILE 40 Cb 0.05 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 1i17 s ILE 40 CO 0.14 0.23 1.73 -0.47 0.00 0.00 0.00 174.94 176.56 1i17 s TYR 41 N 1.37 1.86 -0.15 3.97 5.04 -0.07 -4.94 117.35 124.44 1i17 s TYR 41 Ca -0.04 0.49 -0.10 0.00 -2.44 0.00 0.00 57.07 54.97 1i17 s TYR 41 Cb -0.13 -4.23 0.05 0.00 0.35 0.00 0.00 41.96 38.00 1i17 s TYR 41 CO -0.02 -2.15 0.38 -0.47 -1.34 0.00 0.00 175.55 171.95 1i17 s TYR 42 N 8.31 -0.52 -0.51 4.97 5.04 -1.26 -0.29 117.35 133.09 1i17 s TYR 42 Ca 0.60 1.15 0.08 0.00 -2.44 0.00 0.00 57.07 56.45 1i17 s TYR 42 Cb -0.10 0.20 0.30 0.00 0.35 0.00 0.00 41.96 42.71 1i17 s TYR 42 CO 0.14 -0.29 0.75 0.39 -1.34 0.00 0.00 175.55 175.20 1i17 n GLU 43 N 3.80 1.97 -0.17 4.97 1.02 -1.26 -4.93 120.64 126.05 1i17 n GLU 43 Ca -0.20 -4.11 -0.07 0.00 -0.02 0.00 0.00 57.16 52.75 1i17 n GLU 43 Cb 0.56 -1.90 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 3.54 0.71 -4.26 0.62 0.00 -1.98 -3.44 103.07 98.26 1i17 h GLY 44 Ca 0.13 -0.30 -0.53 0.00 0.00 0.00 0.00 47.33 46.63 1i17 h GLY 44 CO 0.67 0.29 0.86 0.00 0.00 0.00 0.00 176.54 178.37 1i17 n SER 46 N 2.07 0.00 -4.13 0.00 2.88 -1.26 -5.15 113.62 108.03 1i17 n SER 46 Ca 0.07 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 1i17 n SER 46 Cb 0.38 0.13 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.72 0.72 0.59 -1.46 -1.05 -1.26 -5.07 118.70 109.45 1i17 s GLU 47 Ca 0.00 -1.21 0.29 0.00 -0.15 0.00 0.00 54.97 53.89 1i17 s GLU 47 Cb 0.00 -0.10 1.49 0.00 -0.44 0.00 0.00 34.13 35.08 1i17 s GLU 47 CO 0.00 -0.04 1.91 0.00 0.95 0.00 0.00 175.26 178.08 1i17 h ALA 48 N 3.24 2.12 -0.07 -0.84 0.00 -2.01 -0.80 119.26 120.90 1i17 h ALA 48 Ca -0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1i17 h ALA 48 Cb 1.16 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1i17 h ALA 48 CO 0.62 -0.68 -0.03 -0.91 0.00 0.00 0.00 179.25 178.25 1i17 h ASN 49 N 0.00 0.09 -2.78 0.00 2.35 -1.99 -3.40 115.58 109.85 1i17 h ASN 49 Ca 0.20 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.38 1i17 h ASN 49 Cb 1.12 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.43 1i17 h ASN 49 CO -0.00 0.14 1.21 -0.69 -1.65 0.00 0.00 177.43 176.43 1i17 s VAL 50 N -4.97 3.62 0.71 2.81 1.01 -0.31 -5.02 120.40 118.25 1i17 s VAL 50 Ca -0.05 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 1i17 s VAL 50 Cb 0.17 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.71 1i17 s VAL 50 CO 0.69 -0.66 0.98 0.42 0.00 0.00 0.00 175.10 176.54 1i17 s THR 51 N 6.65 2.26 0.08 3.92 -4.23 -1.26 -4.94 115.64 118.12 1i17 s THR 51 Ca 0.70 -0.48 -0.33 0.00 -1.18 0.00 0.00 61.69 60.39 1i17 s THR 51 Cb -0.17 -2.78 -0.18 0.00 1.34 0.00 0.00 72.50 70.71 1i17 s THR 51 CO 0.31 0.00 1.62 0.50 -0.54 0.00 0.00 174.62 176.50 1i17 h LYS 52 N -0.53 -0.88 -0.99 3.99 3.64 -1.97 -1.17 116.57 118.66 1i17 h LYS 52 Ca -0.40 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.22 1i17 h LYS 52 Cb 1.28 0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 33.20 1i17 h LYS 52 CO 0.47 -0.59 0.60 1.05 -2.27 0.00 0.00 179.45 178.71 1i17 h GLU 53 N -0.91 0.77 0.42 1.90 4.11 -1.99 -0.15 114.58 118.73 1i17 h GLU 53 Ca -0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 1i17 h GLU 53 Cb 0.73 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1i17 h GLU 53 CO 0.10 0.51 -0.20 0.52 0.07 0.00 0.00 179.01 180.01 1i17 h MET 54 N 0.79 -0.55 -0.21 1.06 2.86 -1.94 -3.18 114.93 113.77 1i17 h MET 54 Ca 0.56 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.28 1i17 h MET 54 Cb 0.82 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 1i17 h MET 54 CO -0.36 -0.36 -0.03 1.25 1.06 0.00 0.00 176.91 178.47 1i17 h LEU 55 N -0.57 -0.14 -0.04 1.22 6.46 0.14 -1.12 115.31 121.26 1i17 h LEU 55 Ca -0.06 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1i17 h LEU 55 Cb 0.44 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 1i17 h LEU 55 CO 0.10 -0.04 -0.16 0.58 -0.62 0.00 0.00 178.44 178.29 1i17 h VAL 56 N 0.03 0.61 0.04 1.05 2.07 -1.17 0.17 116.25 119.04 1i17 h VAL 56 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1i17 h VAL 56 Cb 0.14 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1i17 h VAL 56 CO -0.19 0.00 -0.02 0.74 0.02 0.00 0.00 177.57 178.12 1i17 h THR 57 N -0.24 0.96 -0.72 2.57 2.02 -1.52 -2.25 112.91 113.72 1i17 h THR 57 Ca 0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1i17 h THR 57 Cb 0.33 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1i17 h THR 57 CO -0.18 0.00 0.33 0.28 0.37 0.00 0.00 175.52 176.32 1i17 h SER 58 N -0.06 0.94 -0.02 4.18 0.02 -0.97 -2.04 113.55 115.61 1i17 h SER 58 Ca -0.01 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1i17 h SER 58 Cb 0.05 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 1i17 h SER 58 CO 0.01 0.81 -0.01 0.00 -1.14 0.00 0.00 176.83 176.50 1i17 h VAL 60 N -0.01 0.70 -0.43 0.00 2.07 -1.22 0.45 116.25 117.81 1i17 h VAL 60 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1i17 h VAL 60 Cb 0.02 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1i17 h VAL 60 CO -0.02 0.00 0.25 0.78 0.02 0.00 0.00 177.57 178.60 1i17 h ASN 61 N -0.00 0.40 -0.23 0.57 2.35 -1.18 -1.17 115.58 116.31 1i17 h ASN 61 Ca 0.15 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1i17 h ASN 61 Cb 0.22 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1i17 h ASN 61 CO -0.31 0.28 0.14 0.00 -1.65 0.00 0.00 177.43 175.89 1i17 h ALA 62 N 1.20 0.29 -0.32 -0.83 0.00 -0.51 -2.35 119.26 116.74 1i17 h ALA 62 Ca 0.17 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1i17 h ALA 62 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1i17 h ALA 62 CO -0.09 -0.20 0.01 1.15 0.00 0.00 0.00 179.25 180.13 1i17 h THR 63 N 0.28 0.78 -0.03 0.00 2.02 -0.71 0.13 112.91 115.37 1i17 h THR 63 Ca 0.08 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.25 1i17 h THR 63 Cb 0.03 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.05 1i17 h THR 63 CO -0.02 0.02 -0.52 1.56 0.37 0.00 0.00 175.52 176.93 1i17 h GLN 64 N 0.10 -0.61 -0.84 6.66 4.20 -1.16 -1.77 115.11 121.71 1i17 h GLN 64 Ca 0.15 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.97 1i17 h GLN 64 Cb 0.20 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 1i17 h GLN 64 CO -0.25 -0.41 0.51 0.00 -0.67 0.00 0.00 178.83 178.01 1i17 h ALA 65 N -0.43 1.16 -0.13 3.87 0.00 -1.06 -2.97 119.26 119.70 1i17 h ALA 65 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1i17 h ALA 65 Cb 0.69 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1i17 h ALA 65 CO -0.37 0.22 -0.15 0.00 0.00 0.00 0.00 179.25 178.95 1i17 h ALA 66 N 1.41 0.19 -0.85 0.00 0.00 -0.89 -3.37 119.26 115.76 1i17 h ALA 66 Ca 0.37 -0.33 -0.58 0.00 0.00 0.00 0.00 54.91 54.37 1i17 h ALA 66 Cb 0.21 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 17.63 1i17 h ALA 66 CO -0.19 0.08 0.10 0.09 0.00 0.00 0.00 179.25 179.33 1i17 n ASN 67 N -4.56 6.02 -0.18 0.00 3.02 -0.67 -4.81 115.26 114.08 1i17 n ASN 67 Ca -0.07 -3.77 -0.01 0.00 -0.03 0.00 0.00 54.58 50.71 1i17 n ASN 67 Cb 0.37 -0.69 0.08 0.00 -0.61 0.00 0.00 39.78 38.93 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 1.96 0.15 -0.48 3.52 4.20 -1.69 -2.56 115.11 120.20 1i17 h GLN 68 Ca 0.48 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.24 1i17 h GLN 68 Cb 1.24 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.94 1i17 h GLN 68 CO 1.14 0.10 0.21 0.00 -0.67 0.00 0.00 178.83 179.61 1i17 h ALA 69 N 1.47 0.60 0.23 3.87 0.00 -1.91 -0.11 119.26 123.42 1i17 h ALA 69 Ca 0.28 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1i17 h ALA 69 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1i17 h ALA 69 CO -0.43 -0.16 -0.29 0.93 0.00 0.00 0.00 179.25 179.29 1i17 h GLU 70 N 0.41 -0.56 0.04 0.00 4.39 -1.86 -1.28 114.58 115.72 1i17 h GLU 70 Ca 0.22 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1i17 h GLU 70 Cb 0.18 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1i17 h GLU 70 CO -0.19 -0.37 -0.03 0.74 -1.16 0.00 0.00 179.01 178.00 1i17 h PHE 71 N -0.58 -0.08 -0.22 4.33 0.04 -1.42 -2.74 116.94 116.27 1i17 h PHE 71 Ca 0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1i17 h PHE 71 Cb 0.55 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.69 1i17 h PHE 71 CO -0.21 -0.05 -0.10 0.77 -0.60 0.00 0.00 178.31 178.12 1i17 h SER 72 N -0.08 -0.33 0.24 2.17 0.02 -0.91 -0.22 113.55 114.44 1i17 h SER 72 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1i17 h SER 72 Cb 0.07 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1i17 h SER 72 CO -0.01 -0.13 -0.19 0.03 -1.14 0.00 0.00 176.83 175.39 1i17 h ARG 73 N -0.07 -0.43 0.51 3.45 3.08 -1.26 -3.36 114.38 116.30 1i17 h ARG 73 Ca 0.12 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1i17 h ARG 73 Cb 0.24 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1i17 h ARG 73 CO -0.26 -0.28 -0.25 0.93 -1.07 0.00 0.00 179.97 179.03 1i17 h GLU 74 N -0.44 -0.67 -1.19 0.04 4.39 -1.34 -3.38 114.58 111.99 1i17 h GLU 74 Ca -0.01 0.05 0.35 0.00 0.34 0.00 0.00 59.36 60.08 1i17 h GLU 74 Cb 0.39 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.10 1i17 h GLU 74 CO -0.01 -0.42 0.79 -0.22 -1.16 0.00 0.00 179.01 177.98 1i17 h LYS 75 N -1.16 0.21 -0.38 2.33 3.64 -1.18 0.15 116.57 120.17 1i17 h LYS 75 Ca -0.07 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1i17 h LYS 75 Cb 0.55 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1i17 h LYS 75 CO 0.12 0.14 0.33 1.96 -2.27 0.00 0.00 179.45 179.73 1i17 h GLN 76 N 0.21 0.00 0.00 1.90 1.08 -1.75 -3.37 115.11 113.19 1i17 h GLN 76 Ca 0.68 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.88 1i17 h GLN 76 Cb 2.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.50 1i17 h GLN 76 CO -0.29 0.00 -0.21 -3.47 -0.95 0.00 0.00 178.83 173.91 1i17 n ASP 77 N -4.04 0.82 -3.35 1.46 2.03 -0.58 -4.99 116.55 107.90 1i17 n ASP 77 Ca 0.06 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.00 1i17 n ASP 77 Cb 0.51 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 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 -1.74 7.55 0.08 1.67 2.88 0.40 -4.78 113.62 119.68 1i17 n SER 78 Ca 0.00 -2.57 -0.12 0.00 -1.33 0.00 0.00 58.87 54.85 1i17 n SER 78 Cb 0.11 -1.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.02 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 5.36 -0.46 -0.22 -1.46 3.64 -1.83 -2.38 116.57 119.21 1i17 h LYS 79 Ca 0.78 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 60.24 1i17 h LYS 79 Cb 0.31 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1i17 h LYS 79 CO 1.76 -0.30 -0.05 1.25 -2.27 0.00 0.00 179.45 179.83 1i17 h LEU 80 N -0.47 -0.20 -0.06 5.20 7.12 -1.99 -3.06 115.31 121.84 1i17 h LEU 80 Ca 0.05 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.17 1i17 h LEU 80 Cb 0.54 0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 40.76 1i17 h LEU 80 CO -0.23 -0.07 -0.26 -0.74 -0.13 0.00 0.00 178.44 177.01 1i17 h HIS 81 N 0.00 -0.70 -0.19 1.25 2.76 -1.90 -2.65 115.15 113.72 1i17 h HIS 81 Ca 0.11 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1i17 h HIS 81 Cb 0.16 0.32 -0.07 0.00 1.55 0.00 0.00 27.41 29.37 1i17 h HIS 81 CO -0.23 -0.35 -0.31 1.96 -1.30 0.00 0.00 177.93 177.70 1i17 h GLN 82 N -0.37 -0.34 -0.20 5.26 1.08 -1.37 0.10 115.11 119.28 1i17 h GLN 82 Ca 0.08 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 1i17 h GLN 82 Cb 0.48 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.92 1i17 h GLN 82 CO -0.27 -0.23 -0.33 -0.09 -0.95 0.00 0.00 178.83 176.97 1i17 h ARG 83 N -0.35 -0.35 0.19 1.46 1.12 -1.42 0.16 114.38 115.19 1i17 h ARG 83 Ca 0.11 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.00 1i17 h ARG 83 Cb 0.53 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.58 1i17 h ARG 83 CO -0.39 -0.23 -0.09 0.28 -3.11 0.00 0.00 179.97 176.42 1i17 h VAL 84 N -0.36 0.82 -0.30 0.20 2.07 -1.28 -2.55 116.25 114.84 1i17 h VAL 84 Ca 0.11 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1i17 h VAL 84 Cb 0.55 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1i17 h VAL 84 CO -0.40 0.01 -0.00 0.25 0.02 0.00 0.00 177.57 177.45 1i17 h LEU 85 N -0.28 -0.13 -0.69 2.57 5.85 -0.53 -0.93 115.31 121.17 1i17 h LEU 85 Ca -0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1i17 h LEU 85 Cb 0.22 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1i17 h LEU 85 CO 0.04 -0.03 0.41 -0.50 -0.34 0.00 0.00 178.44 178.02 1i17 h TRP 86 N 0.08 0.93 -0.19 1.25 4.06 -0.99 0.06 115.95 121.16 1i17 h TRP 86 Ca 0.14 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.13 1i17 h TRP 86 Cb 0.19 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.01 1i17 h TRP 86 CO -0.23 0.64 -0.06 -0.09 -3.56 0.00 0.00 178.44 175.14 1i17 h ARG 87 N 0.95 -0.02 -0.03 0.49 9.65 -1.14 -0.92 114.38 123.34 1i17 h ARG 87 Ca 0.25 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.16 1i17 h ARG 87 Cb -0.01 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1i17 h ARG 87 CO -0.04 -0.01 -0.16 1.25 2.80 0.00 0.00 179.97 183.80 1i17 h LEU 88 N -0.02 -0.49 -0.42 3.80 6.46 -0.80 0.12 115.31 123.96 1i17 h LEU 88 Ca 0.10 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 58.02 1i17 h LEU 88 Cb 0.17 0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 40.22 1i17 h LEU 88 CO -0.21 -0.22 -0.16 0.40 -0.62 0.00 0.00 178.44 177.63 1i17 h ILE 89 N -0.25 0.46 -0.53 4.05 2.04 -0.89 -1.30 117.51 121.10 1i17 h ILE 89 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1i17 h ILE 89 Cb 0.34 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1i17 h ILE 89 CO -0.18 0.00 0.34 0.50 0.00 0.00 0.00 178.15 178.81 1i17 h LYS 90 N -0.07 0.68 -0.38 2.37 3.64 -0.81 0.08 116.57 122.07 1i17 h LYS 90 Ca 0.21 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1i17 h LYS 90 Cb 0.39 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1i17 h LYS 90 CO -0.48 0.45 -0.10 0.93 -2.27 0.00 0.00 179.45 177.98 1i17 h GLU 91 N 0.70 -0.01 0.49 1.90 4.39 -0.47 0.38 114.58 121.97 1i17 h GLU 91 Ca 0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1i17 h GLU 91 Cb -0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1i17 h GLU 91 CO -0.05 -0.01 -0.32 0.82 -1.16 0.00 0.00 179.01 178.29 1i17 h ILE 92 N -0.01 0.34 -0.74 3.13 2.04 -0.91 -0.78 117.51 120.59 1i17 h ILE 92 Ca 0.18 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1i17 h ILE 92 Cb 0.29 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1i17 h ILE 92 CO -0.40 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.18 1i17 h SER 94 N 0.78 0.75 0.17 0.00 4.64 -0.94 -3.35 113.55 115.59 1i17 h SER 94 Ca 0.33 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1i17 h SER 94 Cb 0.20 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1i17 h SER 94 CO -0.18 1.15 -0.08 0.00 -0.87 0.00 0.00 176.83 176.85 1i17 h ALA 95 N 0.86 -0.23 -2.83 5.18 0.00 -0.74 -3.46 119.26 118.04 1i17 h ALA 95 Ca 0.01 -0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.25 1i17 h ALA 95 Cb 1.14 0.09 0.09 0.00 0.00 0.00 0.00 17.79 19.10 1i17 h ALA 95 CO 0.11 -0.52 0.87 -1.59 0.00 0.00 0.00 179.25 178.12 1i17 s LYS 96 N -5.30 4.12 0.34 0.00 -2.85 -0.65 -5.02 119.74 110.37 1i17 s LYS 96 Ca -0.15 2.58 0.06 0.00 -1.00 0.00 0.00 55.97 57.46 1i17 s LYS 96 Cb 0.04 -3.01 -0.07 0.00 -2.06 0.00 0.00 37.83 32.73 1i17 s LYS 96 CO 0.63 -0.61 0.00 -1.01 0.10 0.00 0.00 175.35 174.45 1i17 s HIS 97 N -0.22 2.17 -0.02 1.78 3.76 -1.26 -4.99 115.29 116.50 1i17 s HIS 97 Ca 0.61 -0.77 0.04 0.00 -0.15 0.00 0.00 55.06 54.80 1i17 s HIS 97 Cb -0.48 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 31.81 1i17 s HIS 97 CO 0.51 0.26 -0.16 0.00 -0.85 0.00 0.00 174.74 174.50 1i17 h ASP 99 N 5.98 0.47 0.74 0.00 3.58 -2.02 -2.97 116.42 122.20 1i17 h ASP 99 Ca -0.34 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1i17 h ASP 99 Cb 1.16 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1i17 h ASP 99 CO 0.48 0.33 0.00 2.22 -2.88 0.00 0.00 179.24 179.39 1i17 n PHE 100 N -4.82 0.38 -1.67 0.28 1.16 -1.26 -4.87 117.46 106.67 1i17 n PHE 100 Ca 0.05 0.14 -0.47 0.00 -1.87 0.00 0.00 57.45 55.30 1i17 n PHE 100 Cb 0.11 -0.73 -0.04 0.00 -1.61 0.00 0.00 39.48 37.21 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 -1.84 2.32 -1.96 2.97 8.01 -1.12 -4.92 117.44 120.90 1i17 n TRP 101 Ca 0.04 -0.07 -0.31 0.00 -1.31 0.00 0.00 57.50 55.85 1i17 n TRP 101 Cb 0.24 -2.69 0.00 0.00 -2.01 0.00 0.00 31.31 26.85 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 4.49 3.32 0.33 -0.99 1.43 -1.26 -5.04 118.68 120.95 1i17 s LEU 102 Ca 0.93 1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 55.23 1i17 s LEU 102 Cb -0.64 -4.48 -0.10 0.00 0.03 0.00 0.00 46.19 40.99 1i17 s LEU 102 CO 0.49 -0.87 1.37 -0.70 0.23 0.00 0.00 176.35 176.87 1i17 s GLU 103 N -4.88 4.28 0.08 1.70 2.12 -1.26 -5.06 118.70 115.68 1i17 s GLU 103 Ca 0.56 2.32 0.05 0.00 0.36 0.00 0.00 54.97 58.26 1i17 s GLU 103 Cb -0.11 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1i17 s GLU 103 CO 0.48 -0.31 -0.13 1.03 -0.54 0.00 0.00 175.26 175.79 1i17 s ARG 104 N -1.63 0.85 0.02 4.30 0.52 -1.26 -5.16 118.95 116.57 1i17 s ARG 104 Ca 0.52 -1.02 -0.29 0.00 -0.52 0.00 0.00 55.73 54.42 1i17 s ARG 104 Cb -0.42 -0.79 0.11 0.00 0.52 0.00 0.00 34.95 34.37 1i17 s ARG 104 CO 0.54 0.16 1.24 0.20 0.02 0.00 0.00 175.30 177.46 1i17 s GLY 105 N -1.94 -0.27 0.16 -3.53 0.00 -1.26 -5.20 107.32 95.28 1i17 s GLY 105 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 44.72 45.02 1i17 s GLY 105 CO 0.02 1.81 0.26 0.00 0.00 0.00 0.00 173.10 175.18 1i17 s ALA 106 N -2.36 0.11 -2.00 3.20 0.00 -1.26 -5.35 121.76 114.10 1i17 s ALA 106 Ca 0.19 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1i17 s ALA 106 Cb 0.02 0.86 0.31 0.00 0.00 0.00 0.00 23.12 24.31 1i17 s ALA 106 CO -0.02 -0.63 0.78 0.00 0.00 0.00 0.00 175.76 175.89