#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u17 n LYS 2 N 0.00 1.81 -1.82 0.03 4.81 -1.26 -4.64 118.16 117.09 1u17 n LYS 2 Ca 0.00 0.65 -0.30 0.00 -0.87 0.00 0.00 58.31 57.80 1u17 n LYS 2 Cb 0.00 -2.51 0.06 0.00 0.02 0.00 0.00 35.03 32.60 1u17 n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u17 s THR 4 N -3.35 4.40 -0.03 0.00 -1.32 -1.26 -5.00 115.64 109.08 1u17 s THR 4 Ca 0.59 1.20 0.05 0.00 -1.21 0.00 0.00 61.69 62.32 1u17 s THR 4 Cb -0.12 -3.66 0.07 0.00 -1.51 0.00 0.00 72.50 67.29 1u17 s THR 4 CO 0.52 -0.61 0.98 0.29 -2.21 0.00 0.00 174.62 173.59 1u17 n LYS 5 N -1.50 2.08 -0.21 7.08 4.76 -1.26 -4.83 118.16 124.28 1u17 n LYS 5 Ca 0.07 -1.62 0.05 0.00 -2.87 0.00 0.00 58.31 53.94 1u17 n LYS 5 Cb 0.54 -1.04 0.16 0.00 -1.84 0.00 0.00 35.03 32.85 1u17 n LYS 5 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1u17 n ASN 6 N -0.64 2.02 -4.68 4.39 4.13 -1.26 -4.94 115.26 114.27 1u17 n ASN 6 Ca 0.04 -2.05 -0.42 0.00 1.68 0.00 0.00 54.58 53.82 1u17 n ASN 6 Cb 0.40 -0.27 -0.03 0.00 -1.54 0.00 0.00 39.78 38.34 1u17 n ASN 6 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u17 s ALA 7 N -1.57 3.43 -0.11 5.41 0.00 -1.26 -5.01 121.76 122.65 1u17 s ALA 7 Ca 0.24 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 1u17 s ALA 7 Cb 0.13 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1u17 s ALA 7 CO 0.15 -0.64 0.47 -0.51 0.00 0.00 0.00 175.76 175.23 1u17 s LEU 8 N 2.10 4.29 0.59 0.00 1.43 -1.26 -4.99 118.68 120.84 1u17 s LEU 8 Ca 0.47 0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.23 1u17 s LEU 8 Cb -0.18 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1u17 s LEU 8 CO 0.17 0.02 1.09 0.00 0.23 0.00 0.00 176.35 177.86 1u17 s ALA 9 N 0.54 2.64 0.22 4.21 0.00 -1.26 -4.21 121.76 123.89 1u17 s ALA 9 Ca 0.26 0.59 -0.32 0.00 0.00 0.00 0.00 51.96 52.49 1u17 s ALA 9 Cb -0.15 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1u17 s ALA 9 CO 0.10 -0.92 1.57 0.94 0.00 0.00 0.00 175.76 177.46 1u17 n GLN 10 N -1.87 2.38 -1.80 0.00 7.27 -0.27 -4.92 117.38 118.17 1u17 n GLN 10 Ca 0.10 0.85 -0.42 0.00 0.07 0.00 0.00 57.00 57.61 1u17 n GLN 10 Cb 0.52 -2.62 -0.03 0.00 2.41 0.00 0.00 30.24 30.52 1u17 n GLN 10 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1u17 s THR 11 N 0.52 2.59 -0.91 1.69 2.01 -1.26 -2.43 115.64 117.85 1u17 s THR 11 Ca 0.72 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.94 1u17 s THR 11 Cb -0.59 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1u17 s THR 11 CO 0.42 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1u17 n GLY 12 N 4.06 0.62 3.52 4.40 0.00 -1.26 -4.96 105.19 111.55 1u17 n GLY 12 Ca 0.16 -0.56 -0.55 0.00 0.00 0.00 0.00 46.02 45.07 1u17 n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u17 n PHE 13 N -3.29 0.76 -3.37 1.61 7.35 -1.02 -4.92 117.46 114.59 1u17 n PHE 13 Ca -0.10 0.92 -0.45 0.00 -0.76 0.00 0.00 57.45 57.06 1u17 n PHE 13 Cb 0.43 -2.14 -0.04 0.00 0.35 0.00 0.00 39.48 38.07 1u17 n PHE 13 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1u17 s ASN 14 N -0.02 6.36 0.43 -2.13 3.84 -1.26 -4.95 114.94 117.22 1u17 s ASN 14 Ca 0.85 -2.32 0.09 0.00 0.21 0.00 0.00 52.86 51.69 1u17 s ASN 14 Cb -1.12 -2.17 0.95 0.00 -0.55 0.00 0.00 41.25 38.36 1u17 s ASN 14 CO 0.54 -0.67 2.07 0.07 -2.79 0.00 0.00 177.10 176.33 1u17 h LYS 15 N 8.17 0.43 -0.52 0.43 2.10 -2.00 -2.75 116.57 122.43 1u17 h LYS 15 Ca -0.07 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.48 1u17 h LYS 15 Cb 1.06 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.27 1u17 h LYS 15 CO 0.86 0.28 0.02 -0.44 -2.00 0.00 0.00 179.45 178.17 1u17 h ASP 16 N 0.44 0.83 -0.04 7.07 3.32 -1.92 0.11 116.42 126.22 1u17 h ASP 16 Ca 0.13 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 1u17 h ASP 16 Cb -0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1u17 h ASP 16 CO -0.03 0.88 -0.43 0.11 -1.72 0.00 0.00 179.24 178.05 1u17 h LYS 17 N 0.81 0.58 0.08 3.56 1.57 -1.92 -3.29 116.57 117.95 1u17 h LYS 17 Ca 0.16 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1u17 h LYS 17 Cb 0.46 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1u17 h LYS 17 CO 0.02 0.90 -0.57 -0.92 -0.57 0.00 0.00 179.45 178.31 1u17 h TYR 18 N 0.47 0.29 -1.09 -1.35 3.20 -1.26 -3.34 116.97 113.89 1u17 h TYR 18 Ca 0.03 -0.21 -0.59 0.00 3.14 0.00 0.00 58.73 61.10 1u17 h TYR 18 Cb 0.95 -0.01 -0.15 0.00 1.54 0.00 0.00 36.73 39.05 1u17 h TYR 18 CO 0.04 1.22 1.19 1.19 -1.64 0.00 0.00 178.16 180.16 1u17 n PHE 19 N -4.32 1.98 -0.05 -3.82 3.72 0.33 -4.58 117.46 110.72 1u17 n PHE 19 Ca -0.14 -2.29 0.12 0.00 -0.05 0.00 0.00 57.45 55.09 1u17 n PHE 19 Cb 0.69 -1.56 0.26 0.00 -0.94 0.00 0.00 39.48 37.93 1u17 n PHE 19 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1u17 n ASN 20 N 1.23 3.68 0.00 4.37 6.94 -1.13 -4.30 115.26 126.05 1u17 n ASN 20 Ca 0.54 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.11 1u17 n ASN 20 Cb 0.43 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 1u17 n ASN 20 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u17 n GLY 21 N 1.53 1.09 3.98 4.83 0.00 0.82 -4.98 105.19 112.47 1u17 n GLY 21 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1u17 n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u17 s ASP 22 N -3.03 4.76 0.05 1.61 1.01 -1.25 -4.72 116.67 115.09 1u17 s ASP 22 Ca 0.00 -0.14 -0.20 0.00 0.71 0.00 0.00 52.55 52.92 1u17 s ASP 22 Cb 0.00 -0.46 -0.06 0.00 1.01 0.00 0.00 42.92 43.40 1u17 s ASP 22 CO 0.00 -1.55 0.57 -0.69 0.21 0.00 0.00 175.17 173.71 1u17 s VAL 23 N -3.00 4.79 -0.18 -1.27 1.01 -1.26 -3.33 120.40 117.16 1u17 s VAL 23 Ca 0.62 1.22 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 1u17 s VAL 23 Cb -0.08 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1u17 s VAL 23 CO 0.42 0.52 0.03 0.26 0.00 0.00 0.00 175.10 176.33 1u17 s TRP 24 N -0.85 3.16 -0.04 5.22 0.52 0.07 -4.63 118.94 122.37 1u17 s TRP 24 Ca 0.29 -0.11 -0.14 0.00 0.02 0.00 0.00 56.10 56.17 1u17 s TRP 24 Cb -0.19 -2.05 -0.05 0.00 -1.15 0.00 0.00 33.47 30.02 1u17 s TRP 24 CO 0.18 0.04 0.36 0.71 0.02 0.00 0.00 176.95 178.26 1u17 s TYR 25 N 0.49 3.67 -0.09 -1.98 1.51 -0.14 -1.33 117.35 119.49 1u17 s TYR 25 Ca 0.01 0.88 -0.30 0.00 -1.01 0.00 0.00 57.07 56.65 1u17 s TYR 25 Cb -0.13 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.44 1u17 s TYR 25 CO 0.02 0.59 1.02 0.08 -1.11 0.00 0.00 175.55 176.15 1u17 s VAL 26 N -0.81 4.74 -0.10 0.71 1.01 -0.56 -0.91 120.40 124.49 1u17 s VAL 26 Ca 0.22 2.00 0.14 0.00 0.00 0.00 0.00 61.98 64.33 1u17 s VAL 26 Cb -0.16 -4.28 -0.20 0.00 0.00 0.00 0.00 36.38 31.74 1u17 s VAL 26 CO 0.11 0.02 0.15 0.35 0.00 0.00 0.00 175.10 175.73 1u17 n THR 27 N 4.48 0.61 -3.76 3.92 -2.24 0.03 -4.12 114.28 113.21 1u17 n THR 27 Ca 0.09 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 1u17 n THR 27 Cb 0.49 -0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 1u17 n THR 27 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u17 s ASP 28 N -4.37 -0.20 0.08 3.42 1.01 -1.21 -1.19 116.67 114.21 1u17 s ASP 28 Ca -0.06 0.11 -0.14 0.00 0.71 0.00 0.00 52.55 53.17 1u17 s ASP 28 Cb 0.06 0.32 0.02 0.00 1.01 0.00 0.00 42.92 44.33 1u17 s ASP 28 CO 0.60 -0.45 0.32 -0.72 0.21 0.00 0.00 175.17 175.13 1u17 s TYR 29 N -1.30 -0.09 -0.22 4.23 1.13 0.60 -1.00 117.35 120.70 1u17 s TYR 29 Ca -0.13 -0.18 -0.01 0.00 -1.41 0.00 0.00 57.07 55.33 1u17 s TYR 29 Cb -0.05 0.12 0.06 0.00 -1.10 0.00 0.00 41.96 40.99 1u17 s TYR 29 CO 0.04 -0.59 0.01 -1.17 -2.51 0.00 0.00 175.55 171.34 1u17 s LEU 30 N -2.52 1.73 -0.25 -3.49 2.96 0.22 0.20 118.68 117.53 1u17 s LEU 30 Ca 0.00 -1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 52.74 1u17 s LEU 30 Cb 0.02 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.86 1u17 s LEU 30 CO -0.08 -0.29 0.46 -0.62 -1.32 0.00 0.00 176.35 174.49 1u17 s ASP 31 N 1.68 6.39 0.29 3.68 -1.08 -1.26 -0.37 116.67 126.01 1u17 s ASP 31 Ca -0.02 0.47 0.17 0.00 -0.52 0.00 0.00 52.55 52.65 1u17 s ASP 31 Cb -0.18 -2.25 0.10 0.00 -1.46 0.00 0.00 42.92 39.13 1u17 s ASP 31 CO -0.09 -0.21 1.42 -0.07 0.52 0.00 0.00 175.17 176.74 1u17 h LEU 32 N 8.48 0.00 -6.81 -1.34 3.38 -1.60 -3.32 115.31 114.11 1u17 h LEU 32 Ca -0.31 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.01 1u17 h LEU 32 Cb 1.15 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.51 1u17 h LEU 32 CO 0.70 0.40 -0.36 1.21 0.09 0.00 0.00 178.44 180.47 1u17 n GLU 33 N -3.16 2.47 -0.70 1.13 4.07 -1.26 -5.06 120.64 118.13 1u17 n GLU 33 Ca 0.02 -4.56 -0.30 0.00 -0.06 0.00 0.00 57.16 52.25 1u17 n GLU 33 Cb 0.70 -2.32 0.19 0.00 -0.06 0.00 0.00 31.44 29.94 1u17 n GLU 33 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1u17 s PRO 34 N -1.92 0.55 0.69 5.31 0.02 -1.25 -4.95 135.00 133.45 1u17 s PRO 34 Ca 0.31 1.32 -0.10 0.00 0.02 0.00 0.00 61.00 62.55 1u17 s PRO 34 Cb 0.03 -1.69 0.01 0.00 0.02 0.00 0.00 34.50 32.87 1u17 s PRO 34 CO -0.08 -2.87 1.06 -0.51 -0.33 0.00 0.00 177.00 174.27 1u17 s ASP 35 N -2.69 5.46 0.03 2.53 1.01 -1.26 -5.01 116.67 116.74 1u17 s ASP 35 Ca 0.67 1.05 -0.26 0.00 0.71 0.00 0.00 52.55 54.72 1u17 s ASP 35 Cb -0.23 -1.88 -0.17 0.00 1.01 0.00 0.00 42.92 41.65 1u17 s ASP 35 CO 0.60 -1.30 1.38 0.44 0.21 0.00 0.00 175.17 176.50 1u17 h ASP 36 N -0.57 -0.30 -3.92 0.27 5.19 -2.05 -3.33 116.42 111.70 1u17 h ASP 36 Ca -0.45 -0.16 -0.71 0.00 -0.62 0.00 0.00 57.03 55.10 1u17 h ASP 36 Cb 1.25 0.08 -0.34 0.00 0.18 0.00 0.00 39.33 40.50 1u17 h ASP 36 CO 0.63 -0.00 -0.24 0.68 -3.12 0.00 0.00 179.24 177.19 1u17 s VAL 37 N -5.08 4.08 -0.08 -1.35 -7.23 -1.26 -5.07 120.40 104.42 1u17 s VAL 37 Ca -0.15 -3.18 -0.30 0.00 -1.81 0.00 0.00 61.98 56.55 1u17 s VAL 37 Cb 0.03 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 1u17 s VAL 37 CO 0.59 -0.95 1.59 -2.16 -0.31 0.00 0.00 175.10 173.86 1u17 s PRO 38 N -0.42 4.16 0.36 4.82 0.04 -1.25 -4.97 135.00 137.74 1u17 s PRO 38 Ca 0.20 2.08 -0.19 0.00 0.04 0.00 0.00 61.00 63.13 1u17 s PRO 38 Cb -0.16 -3.96 -0.10 0.00 0.04 0.00 0.00 34.50 30.33 1u17 s PRO 38 CO -0.06 -0.85 0.85 0.21 0.04 0.00 0.00 177.00 177.18 1u17 s LYS 39 N 4.00 4.19 -0.25 4.56 2.20 -1.26 -5.04 119.74 128.14 1u17 s LYS 39 Ca 0.70 0.95 -0.17 0.00 -0.36 0.00 0.00 55.97 57.10 1u17 s LYS 39 Cb -0.31 -2.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 1u17 s LYS 39 CO 0.27 0.12 0.48 1.03 -0.36 0.00 0.00 175.35 176.89 1u17 s ARG 40 N -2.86 4.08 0.32 4.03 1.81 -1.26 -5.05 118.95 120.02 1u17 s ARG 40 Ca 0.56 0.27 0.06 0.00 -1.72 0.00 0.00 55.73 54.90 1u17 s ARG 40 Cb -0.11 -3.63 -0.06 0.00 -0.45 0.00 0.00 34.95 30.69 1u17 s ARG 40 CO 0.17 -0.28 -0.02 0.71 -0.68 0.00 0.00 175.30 175.20 1u17 s TYR 41 N 2.08 2.09 0.13 -0.53 1.51 -1.26 -4.34 117.35 117.03 1u17 s TYR 41 Ca 0.20 -0.75 0.10 0.00 -1.01 0.00 0.00 57.07 55.62 1u17 s TYR 41 Cb -0.16 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1u17 s TYR 41 CO 0.09 0.26 -0.25 0.00 -1.11 0.00 0.00 175.55 174.54 1u17 s ALA 43 N -1.15 -1.00 0.13 0.00 0.00 -1.26 -0.51 121.76 117.97 1u17 s ALA 43 Ca 0.13 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 1u17 s ALA 43 Cb -0.10 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1u17 s ALA 43 CO 0.06 -0.27 0.50 0.00 0.00 0.00 0.00 175.76 176.06 1u17 s ALA 44 N -1.00 -1.27 0.08 0.00 0.00 -0.59 -1.49 121.76 117.49 1u17 s ALA 44 Ca -0.10 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 1u17 s ALA 44 Cb -0.04 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1u17 s ALA 44 CO 0.04 -0.68 0.24 -0.48 0.00 0.00 0.00 175.76 174.88 1u17 s LEU 45 N -2.69 1.18 -0.02 0.00 0.05 -0.44 -0.89 118.68 115.87 1u17 s LEU 45 Ca 0.01 -0.51 0.07 0.00 0.05 0.00 0.00 54.13 53.75 1u17 s LEU 45 Cb 0.00 1.20 -0.02 0.00 -2.05 0.00 0.00 46.19 45.33 1u17 s LEU 45 CO -0.11 -0.72 -0.22 0.00 -0.55 0.00 0.00 176.35 174.75 1u17 s ALA 46 N -3.54 1.85 -0.05 1.48 0.00 -0.34 -0.75 121.76 120.41 1u17 s ALA 46 Ca 0.02 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1u17 s ALA 46 Cb 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1u17 s ALA 46 CO -0.09 0.45 -0.15 0.00 0.00 0.00 0.00 175.76 175.97 1u17 s ALA 47 N -0.52 1.40 0.00 0.00 0.00 -1.21 -1.33 121.76 120.10 1u17 s ALA 47 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1u17 s ALA 47 Cb -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1u17 s ALA 47 CO -0.01 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1u17 n GLY 48 N 3.34 2.74 3.05 0.00 0.00 -0.56 -0.12 105.19 113.63 1u17 n GLY 48 Ca -0.19 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 1u17 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u17 s THR 49 N -2.84 1.02 -0.03 2.61 2.01 -1.26 -1.14 115.64 116.01 1u17 s THR 49 Ca 0.00 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 1u17 s THR 49 Cb 0.00 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.63 1u17 s THR 49 CO 0.00 0.31 0.13 0.00 -0.69 0.00 0.00 174.62 174.37 1u17 s ALA 50 N 0.10 -0.32 -1.13 7.40 0.00 0.17 -4.88 121.76 123.09 1u17 s ALA 50 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1u17 s ALA 50 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1u17 s ALA 50 CO 0.01 -0.13 0.00 0.45 0.00 0.00 0.00 175.76 176.09 1u17 n SER 51 N 2.35 -4.08 -0.12 0.00 2.88 -1.26 -0.49 113.62 112.90 1u17 n SER 51 Ca -0.17 0.18 -0.02 0.00 -1.33 0.00 0.00 58.87 57.54 1u17 n SER 51 Cb 0.57 -3.47 -0.01 0.00 -0.75 0.00 0.00 64.21 60.56 1u17 n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u17 n GLY 52 N -0.81 0.48 3.52 0.46 0.00 -1.26 -5.02 105.19 102.57 1u17 n GLY 52 Ca -0.16 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1u17 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u17 s LYS 53 N -1.06 2.14 0.27 1.61 1.02 0.36 -5.11 119.74 118.98 1u17 s LYS 53 Ca 0.00 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 1u17 s LYS 53 Cb 0.00 -2.27 -0.10 0.00 -0.52 0.00 0.00 37.83 34.94 1u17 s LYS 53 CO 0.00 0.53 1.37 -0.51 -0.92 0.00 0.00 175.35 175.83 1u17 s LEU 54 N -1.76 4.40 0.03 3.17 1.43 -1.26 -0.66 118.68 124.03 1u17 s LEU 54 Ca 0.18 2.64 0.02 0.00 -1.03 0.00 0.00 54.13 55.93 1u17 s LEU 54 Cb -0.11 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1u17 s LEU 54 CO 0.09 -0.62 -0.07 -0.54 0.23 0.00 0.00 176.35 175.44 1u17 s LYS 55 N -0.87 0.47 -0.02 1.70 -0.14 -0.30 -0.57 119.74 120.01 1u17 s LYS 55 Ca 0.55 -0.62 0.01 0.00 -1.36 0.00 0.00 55.97 54.55 1u17 s LYS 55 Cb -0.40 -0.27 0.01 0.00 -1.68 0.00 0.00 37.83 35.49 1u17 s LYS 55 CO 0.46 0.05 -0.03 -2.00 -0.76 0.00 0.00 175.35 173.07 1u17 s GLU 56 N -1.26 0.47 -0.11 1.68 2.12 -0.46 -1.50 118.70 119.64 1u17 s GLU 56 Ca -0.08 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1u17 s GLU 56 Cb -0.08 -0.52 -0.02 0.00 0.26 0.00 0.00 34.13 33.76 1u17 s GLU 56 CO 0.00 -0.02 -0.11 0.00 -0.54 0.00 0.00 175.26 174.59 1u17 s ALA 57 N 0.52 2.76 0.09 6.30 0.00 -0.44 -0.24 121.76 130.74 1u17 s ALA 57 Ca -0.06 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1u17 s ALA 57 Cb -0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1u17 s ALA 57 CO -0.01 0.37 -0.17 -0.51 0.00 0.00 0.00 175.76 175.44 1u17 s LEU 58 N -0.08 2.70 -0.03 0.00 1.02 0.75 -1.19 118.68 121.85 1u17 s LEU 58 Ca -0.01 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.65 1u17 s LEU 58 Cb -0.14 -1.56 0.03 0.00 0.02 0.00 0.00 46.19 44.54 1u17 s LEU 58 CO 0.03 0.21 0.02 -0.47 0.02 0.00 0.00 176.35 176.16 1u17 s TYR 59 N -1.07 0.18 -0.03 0.29 5.04 -0.07 -2.32 117.35 119.37 1u17 s TYR 59 Ca 0.17 0.07 0.04 0.00 -2.44 0.00 0.00 57.07 54.91 1u17 s TYR 59 Cb -0.11 -0.35 -0.01 0.00 0.35 0.00 0.00 41.96 41.85 1u17 s TYR 59 CO 0.09 -0.12 -0.15 0.00 -1.34 0.00 0.00 175.55 174.02 1u17 s TYR 61 N -0.08 1.06 -0.37 0.00 5.04 0.34 -1.16 117.35 122.18 1u17 s TYR 61 Ca -0.00 -0.32 -0.09 0.00 -2.44 0.00 0.00 57.07 54.21 1u17 s TYR 61 Cb -0.09 -0.80 0.04 0.00 0.35 0.00 0.00 41.96 41.46 1u17 s TYR 61 CO 0.01 -0.18 0.18 0.34 -1.34 0.00 0.00 175.55 174.56 1u17 s ASP 62 N 0.53 5.60 0.50 4.32 -1.08 -0.16 -0.79 116.67 125.59 1u17 s ASP 62 Ca -0.09 -1.12 0.22 0.00 -0.52 0.00 0.00 52.55 51.03 1u17 s ASP 62 Cb -0.13 -1.97 1.28 0.00 -1.46 0.00 0.00 42.92 40.65 1u17 s ASP 62 CO 0.01 -0.39 2.06 -0.65 0.52 0.00 0.00 175.17 176.72 1u17 h PRO 63 N 8.37 0.00 -0.24 4.34 0.11 -1.86 0.50 132.00 143.22 1u17 h PRO 63 Ca -0.24 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.72 1u17 h PRO 63 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u17 h PRO 63 CO 0.66 0.13 -0.43 -0.22 -0.21 0.00 0.00 178.00 177.93 1u17 h LYS 64 N 0.00 0.71 0.00 1.05 3.64 -1.94 -3.31 116.57 116.73 1u17 h LYS 64 Ca -0.00 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1u17 h LYS 64 Cb 0.29 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1u17 h LYS 64 CO 0.02 1.07 -1.01 0.25 -2.27 0.00 0.00 179.45 177.51 1u17 n THR 65 N -4.17 0.00 -1.00 1.00 -2.24 -1.12 -4.98 114.28 101.77 1u17 n THR 65 Ca -0.05 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1u17 n THR 65 Cb 0.56 0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1u17 n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u17 n GLN 66 N -1.56 -1.19 -1.98 -0.78 6.02 0.17 -5.00 117.38 113.07 1u17 n GLN 66 Ca 0.01 0.30 -0.40 0.00 -0.01 0.00 0.00 57.00 56.91 1u17 n GLN 66 Cb 0.29 -4.19 -0.00 0.00 1.02 0.00 0.00 30.24 27.35 1u17 n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u17 s ASP 67 N -2.01 6.27 0.05 1.08 1.01 -1.22 -4.76 116.67 117.09 1u17 s ASP 67 Ca 0.00 2.75 0.06 0.00 0.71 0.00 0.00 52.55 56.07 1u17 s ASP 67 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1u17 s ASP 67 CO 0.00 -0.89 -0.16 0.42 0.21 0.00 0.00 175.17 174.75 1u17 s THR 68 N -1.22 1.29 0.06 -1.27 -4.23 -1.26 -0.98 115.64 108.03 1u17 s THR 68 Ca 0.56 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1u17 s THR 68 Cb -0.40 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.25 1u17 s THR 68 CO 0.52 0.04 -0.06 0.72 -0.54 0.00 0.00 174.62 175.30 1u17 s PHE 69 N -0.89 0.68 0.11 3.99 -0.71 -0.31 -4.99 117.98 115.86 1u17 s PHE 69 Ca 0.03 -0.74 0.07 0.00 -1.04 0.00 0.00 56.93 55.25 1u17 s PHE 69 Cb -0.08 -0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.27 1u17 s PHE 69 CO 0.02 -0.17 -0.18 0.71 -1.34 0.00 0.00 175.22 174.26 1u17 s TYR 70 N -2.61 1.59 0.00 3.49 1.51 -1.25 -1.27 117.35 118.81 1u17 s TYR 70 Ca -0.00 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.51 1u17 s TYR 70 Cb -0.02 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1u17 s TYR 70 CO -0.03 0.18 0.18 -0.51 -1.11 0.00 0.00 175.55 174.25 1u17 s ASP 71 N -2.06 -0.01 -0.02 2.29 1.01 -0.98 -1.70 116.67 115.20 1u17 s ASP 71 Ca 0.06 -0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.18 1u17 s ASP 71 Cb -0.09 0.23 -0.00 0.00 1.01 0.00 0.00 42.92 44.07 1u17 s ASP 71 CO 0.04 -0.40 -0.10 -0.69 0.21 0.00 0.00 175.17 174.23 1u17 s VAL 72 N -1.47 0.81 0.06 -1.27 1.01 -0.53 -0.18 120.40 118.83 1u17 s VAL 72 Ca -0.14 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1u17 s VAL 72 Cb -0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1u17 s VAL 72 CO 0.02 0.24 -0.13 -0.44 0.00 0.00 0.00 175.10 174.78 1u17 s SER 73 N -0.05 1.56 -0.05 3.32 0.01 0.66 -1.16 113.70 117.99 1u17 s SER 73 Ca 0.01 -0.55 -0.16 0.00 1.31 0.00 0.00 55.95 56.56 1u17 s SER 73 Cb -0.06 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 1u17 s SER 73 CO 0.00 -0.05 0.44 -1.61 0.41 0.00 0.00 173.24 172.43 1u17 s GLU 74 N -1.50 4.13 -0.11 12.44 2.02 -1.26 -1.36 118.70 133.07 1u17 s GLU 74 Ca -0.02 0.43 -0.03 0.00 0.02 0.00 0.00 54.97 55.37 1u17 s GLU 74 Cb -0.09 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1u17 s GLU 74 CO 0.02 0.45 0.03 -0.51 0.02 0.00 0.00 175.26 175.26 1u17 s LEU 75 N -0.31 3.71 -0.18 1.80 1.43 0.26 -3.09 118.68 122.30 1u17 s LEU 75 Ca 0.24 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1u17 s LEU 75 Cb -0.16 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1u17 s LEU 75 CO 0.12 0.35 -0.06 -1.10 0.23 0.00 0.00 176.35 175.88 1u17 s GLN 76 N -0.67 3.48 -0.10 1.70 -0.21 0.23 -4.23 119.66 119.87 1u17 s GLN 76 Ca 0.11 -0.60 -0.29 0.00 0.02 0.00 0.00 55.36 54.60 1u17 s GLN 76 Cb -0.12 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 1u17 s GLN 76 CO 0.02 0.05 1.53 -2.00 -2.12 0.00 0.00 175.29 172.78 1u17 s GLU 77 N 0.83 4.17 -0.05 2.91 2.12 -1.26 -1.16 118.70 126.25 1u17 s GLU 77 Ca -0.02 1.99 -0.07 0.00 0.36 0.00 0.00 54.97 57.24 1u17 s GLU 77 Cb -0.15 -3.92 -0.29 0.00 0.26 0.00 0.00 34.13 30.03 1u17 s GLU 77 CO 0.01 -0.84 0.65 0.93 -0.54 0.00 0.00 175.26 175.47 1u17 h GLU 78 N 9.22 0.31 -2.44 4.30 4.39 -1.17 -3.49 114.58 125.70 1u17 h GLU 78 Ca -0.35 -0.53 0.12 0.00 0.34 0.00 0.00 59.36 58.94 1u17 h GLU 78 Cb 1.15 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.89 1u17 h GLU 78 CO 0.96 1.20 0.44 -1.54 -1.16 0.00 0.00 179.01 178.91 1u17 s SER 79 N -7.10 -0.29 -0.06 1.42 1.04 -1.16 -5.03 113.70 102.52 1u17 s SER 79 Ca -0.15 -0.23 -0.31 0.00 0.48 0.00 0.00 55.95 55.74 1u17 s SER 79 Cb 0.06 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 1u17 s SER 79 CO 0.83 -0.84 1.99 -2.65 0.98 0.00 0.00 173.24 173.55 1u17 n PRO 80 N -0.38 2.44 -0.33 4.02 -0.02 -1.26 -0.45 135.00 139.03 1u17 n PRO 80 Ca -0.08 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1u17 n PRO 80 Cb 0.61 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1u17 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u17 n GLY 81 N 4.76 0.69 3.00 -1.23 0.00 -1.26 -4.78 105.19 106.37 1u17 n GLY 81 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1u17 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u17 s LYS 82 N -0.66 1.77 0.06 1.61 1.02 0.41 -1.01 119.74 122.94 1u17 s LYS 82 Ca 0.00 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.60 1u17 s LYS 82 Cb 0.00 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 1u17 s LYS 82 CO 0.00 -0.06 -0.07 0.71 -0.92 0.00 0.00 175.35 175.00 1u17 s TYR 83 N 0.98 0.72 -0.07 3.18 1.51 -0.01 -0.55 117.35 123.11 1u17 s TYR 83 Ca -0.08 -0.61 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 1u17 s TYR 83 Cb -0.15 -0.43 -0.01 0.00 -0.11 0.00 0.00 41.96 41.26 1u17 s TYR 83 CO -0.00 -0.10 -0.21 0.99 -1.11 0.00 0.00 175.55 175.11 1u17 s THR 84 N -1.96 2.37 -0.14 -0.71 2.01 -0.31 -0.81 115.64 116.08 1u17 s THR 84 Ca -0.04 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.02 1u17 s THR 84 Cb -0.06 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.57 1u17 s THR 84 CO -0.01 0.56 -0.15 0.00 -0.69 0.00 0.00 174.62 174.34 1u17 s ALA 85 N -0.09 1.87 -0.46 7.40 0.00 0.35 -0.60 121.76 130.23 1u17 s ALA 85 Ca -0.05 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 1u17 s ALA 85 Cb -0.14 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.02 1u17 s ALA 85 CO 0.04 -0.33 0.37 -0.80 0.00 0.00 0.00 175.76 175.04 1u17 s ASN 86 N 1.40 6.08 0.24 0.00 -0.87 -1.18 -1.09 114.94 119.51 1u17 s ASN 86 Ca 0.03 -1.34 -0.11 0.00 -1.57 0.00 0.00 52.86 49.87 1u17 s ASN 86 Cb -0.13 -2.16 -0.08 0.00 -0.02 0.00 0.00 41.25 38.87 1u17 s ASN 86 CO -0.10 -0.63 0.59 0.72 -2.57 0.00 0.00 177.10 175.12 1u17 s PHE 87 N 1.61 3.44 -0.06 2.20 -0.12 -1.25 -4.21 117.98 119.60 1u17 s PHE 87 Ca 0.04 0.98 0.05 0.00 -0.05 0.00 0.00 56.93 57.94 1u17 s PHE 87 Cb -0.24 -2.33 -0.02 0.00 -0.63 0.00 0.00 43.02 39.80 1u17 s PHE 87 CO 0.06 0.26 -0.21 -1.59 -0.05 0.00 0.00 175.22 173.69 1u17 s LYS 88 N -2.71 2.59 0.16 1.99 -2.85 -0.31 -4.17 119.74 114.44 1u17 s LYS 88 Ca 0.47 -0.84 -0.29 0.00 -1.00 0.00 0.00 55.97 54.32 1u17 s LYS 88 Cb -0.12 -2.25 -0.07 0.00 -2.06 0.00 0.00 37.83 33.33 1u17 s LYS 88 CO 0.20 0.43 0.90 0.21 0.10 0.00 0.00 175.35 177.20 1u17 s LYS 89 N -0.27 4.71 0.06 1.78 2.20 -0.62 -1.45 119.74 126.15 1u17 s LYS 89 Ca 0.00 1.37 -0.02 0.00 -0.36 0.00 0.00 55.97 56.96 1u17 s LYS 89 Cb -0.13 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1u17 s LYS 89 CO 0.03 0.38 0.01 0.14 -0.36 0.00 0.00 175.35 175.55 1u17 s VAL 90 N -0.59 0.20 0.89 4.02 -7.23 -0.69 -0.79 120.40 116.22 1u17 s VAL 90 Ca 0.42 -1.68 -0.13 0.00 -1.81 0.00 0.00 61.98 58.78 1u17 s VAL 90 Cb -0.24 -1.45 0.13 0.00 0.56 0.00 0.00 36.38 35.38 1u17 s VAL 90 CO 0.29 -0.93 1.17 -1.61 -0.31 0.00 0.00 175.10 173.72 1u17 s GLU 91 N -3.84 1.28 0.56 4.82 0.41 0.10 -3.79 118.70 118.25 1u17 s GLU 91 Ca 0.06 0.13 0.32 0.00 -0.41 0.00 0.00 54.97 55.08 1u17 s GLU 91 Cb 0.07 -1.87 1.67 0.00 -1.78 0.00 0.00 34.13 32.22 1u17 s GLU 91 CO -0.10 -2.07 2.14 1.57 -0.49 0.00 0.00 175.26 176.31 1u17 h LYS 92 N -1.40 0.00 -0.21 1.61 2.10 -1.96 -0.42 116.57 116.29 1u17 h LYS 92 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1u17 h LYS 92 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1u17 h LYS 92 CO 0.60 0.07 0.00 0.27 -2.00 0.00 0.00 179.45 178.38 1u17 n ASN 93 N -3.45 2.06 0.00 7.07 0.23 -1.26 -4.81 115.26 115.11 1u17 n ASN 93 Ca -0.02 -1.77 0.00 0.00 -0.53 0.00 0.00 54.58 52.26 1u17 n ASN 93 Cb 0.20 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1u17 n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u17 n GLY 94 N 1.21 0.66 3.65 4.83 0.00 -0.17 -5.04 105.19 110.33 1u17 n GLY 94 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 1u17 n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u17 n ASN 95 N 0.00 2.71 -4.66 1.61 4.13 -1.26 -4.64 115.26 113.15 1u17 n ASN 95 Ca 0.00 1.09 -0.41 0.00 1.68 0.00 0.00 54.58 56.93 1u17 n ASN 95 Cb 0.00 -1.36 -0.04 0.00 -1.54 0.00 0.00 39.78 36.84 1u17 n ASN 95 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1u17 s VAL 96 N 0.99 4.88 -0.21 2.41 1.01 -1.26 0.02 120.40 128.25 1u17 s VAL 96 Ca 0.81 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 64.20 1u17 s VAL 96 Cb -0.76 -4.11 -0.19 0.00 0.00 0.00 0.00 36.38 31.32 1u17 s VAL 96 CO 0.41 0.01 0.11 0.29 0.00 0.00 0.00 175.10 175.92 1u17 n LYS 97 N 5.41 0.61 -3.82 2.72 5.02 0.03 -4.91 118.16 123.22 1u17 n LYS 97 Ca 0.04 0.43 -0.24 0.00 -2.02 0.00 0.00 58.31 56.52 1u17 n LYS 97 Cb 0.49 -1.68 -0.17 0.00 -0.02 0.00 0.00 35.03 33.64 1u17 n LYS 97 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u17 s VAL 98 N -2.44 0.52 0.84 -0.18 1.01 -0.79 -4.98 120.40 114.39 1u17 s VAL 98 Ca -0.30 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1u17 s VAL 98 Cb 0.08 -0.64 0.10 0.00 0.00 0.00 0.00 36.38 35.91 1u17 s VAL 98 CO 0.61 0.28 1.09 -1.81 0.00 0.00 0.00 175.10 175.27 1u17 s ASP 99 N 1.87 3.99 0.33 3.32 1.01 -1.26 -1.58 116.67 124.35 1u17 s ASP 99 Ca 0.04 1.49 -0.29 0.00 0.71 0.00 0.00 52.55 54.51 1u17 s ASP 99 Cb -0.12 -2.20 -0.12 0.00 1.01 0.00 0.00 42.92 41.49 1u17 s ASP 99 CO -0.06 -2.31 1.48 0.52 0.21 0.00 0.00 175.17 175.01 1u17 n VAL 100 N -3.67 1.57 -3.98 -1.27 0.31 -1.26 -4.80 118.33 105.23 1u17 n VAL 100 Ca 0.07 -0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 63.90 1u17 n VAL 100 Cb 0.55 -1.85 -0.12 0.00 -0.91 0.00 0.00 33.84 31.50 1u17 n VAL 100 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1u17 s THR 101 N -0.63 0.18 0.43 2.52 -4.23 -1.26 -5.05 115.64 107.60 1u17 s THR 101 Ca 0.59 -0.58 0.26 0.00 -1.18 0.00 0.00 61.69 60.78 1u17 s THR 101 Cb -0.51 -0.25 0.45 0.00 1.34 0.00 0.00 72.50 73.53 1u17 s THR 101 CO 0.57 -0.26 1.71 0.77 -0.54 0.00 0.00 174.62 176.87 1u17 h SER 102 N 5.24 0.31 0.23 3.99 4.64 -2.00 -0.16 113.55 125.81 1u17 h SER 102 Ca -0.30 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1u17 h SER 102 Cb 1.21 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1u17 h SER 102 CO 0.45 -0.04 -0.09 0.61 -0.87 0.00 0.00 176.83 176.90 1u17 n GLY 103 N -1.53 -0.76 3.15 -0.77 0.00 -1.26 -4.69 105.19 99.33 1u17 n GLY 103 Ca 0.31 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1u17 n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u17 s ASN 104 N -2.32 4.99 0.18 1.61 -0.87 -0.07 -1.70 114.94 116.76 1u17 s ASN 104 Ca 0.33 -1.50 -0.17 0.00 -1.57 0.00 0.00 52.86 49.95 1u17 s ASN 104 Cb 0.20 -1.74 0.03 0.00 -0.02 0.00 0.00 41.25 39.72 1u17 s ASN 104 CO 0.44 -0.34 0.50 -0.72 -2.57 0.00 0.00 177.10 174.41 1u17 s TYR 105 N 1.21 -0.10 0.06 2.20 1.13 -0.28 -3.83 117.35 117.74 1u17 s TYR 105 Ca -0.01 -0.23 0.04 0.00 -1.41 0.00 0.00 57.07 55.45 1u17 s TYR 105 Cb -0.20 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 40.98 1u17 s TYR 105 CO -0.02 -0.88 -0.11 1.52 -2.51 0.00 0.00 175.55 173.56 1u17 s TYR 106 N -3.87 0.94 -0.02 -3.49 -0.85 -0.25 -0.53 117.35 109.28 1u17 s TYR 106 Ca 0.09 -0.52 0.02 0.00 -0.52 0.00 0.00 57.07 56.14 1u17 s TYR 106 Cb -0.00 -0.54 -0.03 0.00 0.38 0.00 0.00 41.96 41.76 1u17 s TYR 106 CO -0.04 -0.02 -0.04 0.95 -1.52 0.00 0.00 175.55 174.89 1u17 s THR 107 N -1.54 3.91 0.02 -3.49 -4.23 -0.31 -0.49 115.64 109.51 1u17 s THR 107 Ca -0.04 -0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 59.77 1u17 s THR 107 Cb -0.09 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1u17 s THR 107 CO 0.01 0.44 0.16 0.72 -0.54 0.00 0.00 174.62 175.41 1u17 s PHE 108 N -0.99 0.05 -0.10 3.99 -0.12 0.01 -1.43 117.98 119.40 1u17 s PHE 108 Ca 0.17 -0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 1u17 s PHE 108 Cb -0.11 -0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 1u17 s PHE 108 CO 0.07 -0.35 -0.14 0.99 -0.05 0.00 0.00 175.22 175.74 1u17 s THR 109 N -1.94 1.38 -0.62 -4.49 2.01 -0.20 -0.83 115.64 110.94 1u17 s THR 109 Ca -0.10 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.10 1u17 s THR 109 Cb -0.04 -1.26 0.07 0.00 0.01 0.00 0.00 72.50 71.27 1u17 s THR 109 CO -0.01 0.42 0.90 -0.69 -0.69 0.00 0.00 174.62 174.54 1u17 s VAL 110 N 0.92 4.45 0.21 3.82 1.01 -0.18 -0.89 120.40 129.73 1u17 s VAL 110 Ca -0.09 -0.38 0.12 0.00 0.00 0.00 0.00 61.98 61.63 1u17 s VAL 110 Cb -0.15 -4.61 -0.02 0.00 0.00 0.00 0.00 36.38 31.60 1u17 s VAL 110 CO 0.00 -1.32 1.58 0.24 0.00 0.00 0.00 175.10 175.60 1u17 h MET 111 N 9.44 0.00 -1.95 2.72 2.86 -1.21 -0.70 114.93 126.08 1u17 h MET 111 Ca -0.28 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1u17 h MET 111 Cb 1.07 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.52 1u17 h MET 111 CO 1.14 0.62 0.11 -0.47 1.06 0.00 0.00 176.91 179.38 1u17 s TYR 112 N -3.44 -0.88 -0.02 -0.22 5.04 -1.05 -3.41 117.35 113.37 1u17 s TYR 112 Ca -0.00 1.94 -0.18 0.00 -2.44 0.00 0.00 57.07 56.38 1u17 s TYR 112 Cb 0.12 0.44 0.03 0.00 0.35 0.00 0.00 41.96 42.90 1u17 s TYR 112 CO 0.76 -0.43 0.38 0.00 -1.34 0.00 0.00 175.55 174.92 1u17 s ALA 113 N 0.95 -0.98 0.00 3.97 0.00 -1.26 -0.80 121.76 123.64 1u17 s ALA 113 Ca -0.04 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1u17 s ALA 113 Cb -0.05 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1u17 s ALA 113 CO -0.09 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 174.98 1u17 n ASP 114 N 1.17 0.00 0.23 0.00 5.68 0.20 -4.93 116.55 118.90 1u17 n ASP 114 Ca -0.21 -0.09 0.07 0.00 -0.50 0.00 0.00 54.79 54.05 1u17 n ASP 114 Cb 0.56 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.10 1u17 n ASP 114 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1u17 h ASP 115 N 0.00 0.00 0.00 -1.12 5.19 -2.02 -3.31 116.42 115.15 1u17 h ASP 115 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1u17 h ASP 115 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1u17 h ASP 115 CO 0.00 0.17 -1.11 -1.20 -3.12 0.00 0.00 179.24 173.98 1u17 n SER 116 N -4.20 2.99 -3.82 6.45 7.64 -1.26 -4.83 113.62 116.59 1u17 n SER 116 Ca -0.02 -0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.65 1u17 n SER 116 Cb 0.24 1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 64.60 1u17 n SER 116 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1u17 s SER 117 N -2.51 0.05 0.19 6.43 1.04 -1.25 -0.19 113.70 117.45 1u17 s SER 117 Ca -0.01 -0.54 -0.19 0.00 0.48 0.00 0.00 55.95 55.68 1u17 s SER 117 Cb 0.04 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.55 1u17 s SER 117 CO 0.26 -0.71 0.56 0.00 0.98 0.00 0.00 173.24 174.33 1u17 s ALA 118 N -3.55 -1.18 -0.09 5.32 0.00 -0.84 -0.63 121.76 120.79 1u17 s ALA 118 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1u17 s ALA 118 Cb 0.03 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1u17 s ALA 118 CO -0.09 -0.81 -0.08 -1.17 0.00 0.00 0.00 175.76 173.61 1u17 s LEU 119 N -2.83 1.31 0.17 0.00 2.96 0.02 -0.70 118.68 119.60 1u17 s LEU 119 Ca 0.06 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1u17 s LEU 119 Cb -0.01 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 1u17 s LEU 119 CO -0.06 -0.07 -0.16 0.27 -1.32 0.00 0.00 176.35 175.01 1u17 s ILE 120 N 1.34 1.70 -0.02 6.68 -4.36 -0.42 -0.95 121.20 125.18 1u17 s ILE 120 Ca -0.02 -1.98 0.07 0.00 -0.26 0.00 0.00 60.65 58.45 1u17 s ILE 120 Cb -0.14 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 1u17 s ILE 120 CO -0.04 -0.43 -0.22 -2.28 0.24 0.00 0.00 174.94 172.21 1u17 s HIS 121 N -2.39 2.46 -0.04 1.37 5.65 -0.07 -1.28 115.29 120.99 1u17 s HIS 121 Ca 0.17 -0.34 0.03 0.00 0.25 0.00 0.00 55.06 55.17 1u17 s HIS 121 Cb -0.04 -1.52 0.01 0.00 -1.18 0.00 0.00 32.58 29.84 1u17 s HIS 121 CO 0.06 0.07 -0.11 0.99 -0.65 0.00 0.00 174.74 175.10 1u17 s THR 122 N -0.69 0.94 -0.24 0.89 2.01 0.06 -1.03 115.64 117.57 1u17 s THR 122 Ca 0.11 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1u17 s THR 122 Cb -0.10 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 1u17 s THR 122 CO 0.00 0.29 -0.02 0.00 -0.69 0.00 0.00 174.62 174.21 1u17 s LEU 124 N 1.48 4.26 -0.16 0.00 2.96 0.10 -1.16 118.68 126.17 1u17 s LEU 124 Ca 0.05 0.69 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 1u17 s LEU 124 Cb -0.15 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 44.00 1u17 s LEU 124 CO -0.02 0.03 -0.13 -2.28 -1.32 0.00 0.00 176.35 172.63 1u17 s HIS 125 N 0.61 2.22 -0.24 5.38 5.65 0.31 -0.17 115.29 129.05 1u17 s HIS 125 Ca 0.22 -1.30 -0.02 0.00 0.25 0.00 0.00 55.06 54.21 1u17 s HIS 125 Cb -0.14 -1.61 0.07 0.00 -1.18 0.00 0.00 32.58 29.72 1u17 s HIS 125 CO 0.08 -0.69 0.04 0.21 -0.65 0.00 0.00 174.74 173.74 1u17 s LYS 126 N 1.47 0.80 -0.59 2.88 2.20 -0.94 -1.12 119.74 124.44 1u17 s LYS 126 Ca 0.04 -0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 54.94 1u17 s LYS 126 Cb -0.13 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 1u17 s LYS 126 CO -0.10 -0.75 0.49 0.41 -0.36 0.00 0.00 175.35 175.04 1u17 n GLY 127 N 4.94 0.07 2.64 5.54 0.00 -0.69 -3.78 105.19 113.91 1u17 n GLY 127 Ca -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1u17 n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u17 n ASN 128 N -1.92 -4.46 -4.80 1.61 4.13 -0.86 -4.98 115.26 103.99 1u17 n ASN 128 Ca -0.13 0.09 -0.32 0.00 1.68 0.00 0.00 54.58 55.90 1u17 n ASN 128 Cb 0.58 -3.00 -0.07 0.00 -1.54 0.00 0.00 39.78 35.76 1u17 n ASN 128 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1u17 s LYS 129 N -1.91 3.07 -0.24 3.52 -2.85 -1.25 -5.08 119.74 115.00 1u17 s LYS 129 Ca 0.00 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.15 1u17 s LYS 129 Cb 0.00 -2.85 -0.01 0.00 -2.06 0.00 0.00 37.83 32.91 1u17 s LYS 129 CO 0.00 0.63 1.37 -0.51 0.10 0.00 0.00 175.35 176.94 1u17 s ASP 130 N -1.97 6.67 0.00 0.03 1.11 -1.26 -2.22 116.67 119.03 1u17 s ASP 130 Ca 0.26 1.45 0.00 0.00 0.18 0.00 0.00 52.55 54.44 1u17 s ASP 130 Cb -0.12 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.33 1u17 s ASP 130 CO 0.17 -1.04 0.00 0.18 1.18 0.00 0.00 175.17 175.67 1u17 n LEU 131 N 7.54 0.00 -4.76 1.23 4.32 0.76 -4.46 117.00 121.63 1u17 n LEU 131 Ca 0.15 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.75 1u17 n LEU 131 Cb 0.46 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.21 1u17 n LEU 131 CO 0.62 0.00 0.74 -0.83 -1.22 0.00 0.00 177.39 176.69 1u17 s GLY 132 N 0.00 3.04 -0.19 -0.72 0.00 -1.23 -4.80 107.32 103.43 1u17 s GLY 132 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 1u17 s GLY 132 CO 0.00 1.35 -0.12 -0.35 0.00 0.00 0.00 173.10 173.98 1u17 s ASP 133 N -1.06 3.77 -0.20 1.64 -1.08 -1.26 0.01 116.67 118.49 1u17 s ASP 133 Ca 0.45 -0.49 -0.14 0.00 -0.52 0.00 0.00 52.55 51.86 1u17 s ASP 133 Cb -0.29 -1.61 0.06 0.00 -1.46 0.00 0.00 42.92 39.62 1u17 s ASP 133 CO 0.36 0.02 0.50 -0.22 0.52 0.00 0.00 175.17 176.35 1u17 s LEU 134 N 1.20 -0.19 0.03 -1.34 0.20 -0.77 -1.30 118.68 116.52 1u17 s LEU 134 Ca 0.02 1.05 0.02 0.00 0.69 0.00 0.00 54.13 55.91 1u17 s LEU 134 Cb -0.14 1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 47.26 1u17 s LEU 134 CO -0.05 -0.19 0.04 -0.31 -0.29 0.00 0.00 176.35 175.54 1u17 s TYR 135 N 1.02 3.14 -0.01 5.38 2.02 0.50 -0.76 117.35 128.65 1u17 s TYR 135 Ca -0.06 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 1u17 s TYR 135 Cb -0.06 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1u17 s TYR 135 CO -0.09 0.50 0.01 0.00 -1.57 0.00 0.00 175.55 174.40 1u17 s ALA 136 N -1.22 0.04 -0.17 3.71 0.00 -0.41 -0.61 121.76 123.11 1u17 s ALA 136 Ca 0.24 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.12 1u17 s ALA 136 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1u17 s ALA 136 CO 0.15 -0.04 0.53 0.08 0.00 0.00 0.00 175.76 176.48 1u17 s VAL 137 N 0.42 5.12 0.13 0.00 1.01 -0.17 -1.29 120.40 125.61 1u17 s VAL 137 Ca -0.04 1.00 0.06 0.00 0.00 0.00 0.00 61.98 63.01 1u17 s VAL 137 Cb -0.05 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1u17 s VAL 137 CO -0.01 0.22 -0.03 -0.76 0.00 0.00 0.00 175.10 174.52 1u17 s LEU 138 N 1.33 3.30 0.01 3.92 1.43 0.12 -0.79 118.68 127.99 1u17 s LEU 138 Ca 0.26 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1u17 s LEU 138 Cb -0.15 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1u17 s LEU 138 CO 0.10 0.14 0.01 0.21 0.23 0.00 0.00 176.35 177.04 1u17 s ASN 139 N -2.54 0.14 0.36 2.29 3.84 -0.08 -1.99 114.94 116.95 1u17 s ASN 139 Ca 0.25 -0.30 0.27 0.00 0.21 0.00 0.00 52.86 53.28 1u17 s ASN 139 Cb -0.11 0.10 1.22 0.00 -0.55 0.00 0.00 41.25 41.91 1u17 s ASN 139 CO 0.17 -0.22 1.80 0.03 -2.79 0.00 0.00 177.10 176.09 1u17 h ARG 140 N 5.03 0.00 -5.11 0.43 2.47 -0.84 -0.34 114.38 116.02 1u17 h ARG 140 Ca -0.30 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.79 1u17 h ARG 140 Cb 1.21 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 29.19 1u17 h ARG 140 CO 0.43 0.00 -0.86 1.21 0.56 0.00 0.00 179.97 181.31 1u17 s ASN 141 N -4.50 2.75 0.32 7.04 3.84 -1.26 -4.82 114.94 118.32 1u17 s ASN 141 Ca 0.01 -0.50 0.25 0.00 0.21 0.00 0.00 52.86 52.84 1u17 s ASN 141 Cb 0.09 -1.26 1.12 0.00 -0.55 0.00 0.00 41.25 40.65 1u17 s ASN 141 CO 0.37 0.12 1.76 0.07 -2.79 0.00 0.00 177.10 176.62 1u17 h LYS 142 N 6.86 0.00 -0.28 0.43 2.10 -1.95 -2.84 116.57 120.89 1u17 h LYS 142 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1u17 h LYS 142 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1u17 h LYS 142 CO 0.48 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.68 1u17 n ASP 143 N -2.38 3.49 -4.67 7.07 8.00 -1.26 -4.82 116.55 121.98 1u17 n ASP 143 Ca 0.01 -2.65 -0.35 0.00 0.71 0.00 0.00 54.79 52.51 1u17 n ASP 143 Cb 0.20 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 1u17 n ASP 143 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u17 s THR 144 N -2.16 5.05 0.51 -3.53 2.01 -1.08 -5.07 115.64 111.38 1u17 s THR 144 Ca 0.35 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 62.22 1u17 s THR 144 Cb 0.26 -3.30 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 1u17 s THR 144 CO 0.11 0.44 1.04 0.20 -0.69 0.00 0.00 174.62 175.72 1u17 s ASN 145 N 0.44 6.23 0.09 3.53 0.01 -1.26 -4.95 114.94 119.03 1u17 s ASN 145 Ca 0.05 1.89 -0.32 0.00 -0.71 0.00 0.00 52.86 53.77 1u17 s ASN 145 Cb -0.12 -2.55 -0.11 0.00 0.41 0.00 0.00 41.25 38.88 1u17 s ASN 145 CO -0.00 -0.86 1.83 0.00 -1.51 0.00 0.00 177.10 176.56 1u17 n ALA 146 N -1.23 1.83 -1.97 0.60 0.00 -1.26 -4.95 120.51 113.53 1u17 n ALA 146 Ca 0.09 0.31 -0.27 0.00 0.00 0.00 0.00 53.44 53.58 1u17 n ALA 146 Cb 0.53 -2.56 0.16 0.00 0.00 0.00 0.00 19.45 17.58 1u17 n ALA 146 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u17 s GLY 147 N 2.90 1.78 0.31 0.00 0.00 -1.26 -4.85 107.32 106.20 1u17 s GLY 147 Ca 0.84 -1.56 -0.00 0.00 0.00 0.00 0.00 44.72 43.99 1u17 s GLY 147 CO 0.40 -0.84 1.96 -0.55 0.00 0.00 0.00 173.10 174.07 1u17 h ASP 148 N -1.18 0.84 -0.22 1.64 3.32 -1.99 -1.27 116.42 117.56 1u17 h ASP 148 Ca -0.40 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.42 1u17 h ASP 148 Cb 1.24 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1u17 h ASP 148 CO 0.36 0.64 -0.60 0.11 -1.72 0.00 0.00 179.24 178.03 1u17 h LYS 149 N 0.98 0.83 0.04 3.56 1.57 -1.99 0.19 116.57 121.75 1u17 h LYS 149 Ca 0.26 -0.56 -0.23 0.00 -1.87 0.00 0.00 60.65 58.25 1u17 h LYS 149 Cb -0.05 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1u17 h LYS 149 CO -0.05 1.18 -1.02 -0.24 -0.57 0.00 0.00 179.45 178.75 1u17 h VAL 150 N 0.62 1.50 -0.35 0.50 3.04 -1.90 -1.78 116.25 117.88 1u17 h VAL 150 Ca 0.00 -2.81 -0.03 0.00 -1.01 0.00 0.00 66.70 62.85 1u17 h VAL 150 Cb 1.20 2.65 -0.02 0.00 -2.01 0.00 0.00 31.29 33.12 1u17 h VAL 150 CO 0.13 0.82 0.08 0.11 -1.01 0.00 0.00 177.57 177.69 1u17 h LYS 151 N 0.11 0.51 -0.73 4.17 1.57 -1.14 0.72 116.57 121.78 1u17 h LYS 151 Ca -0.08 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1u17 h LYS 151 Cb 1.70 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.89 1u17 h LYS 151 CO 0.16 0.48 0.45 0.78 -0.57 0.00 0.00 179.45 180.76 1u17 h GLY 152 N 0.74 1.05 1.07 3.86 0.00 -0.65 -0.77 103.07 108.37 1u17 h GLY 152 Ca 0.12 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1u17 h GLY 152 CO -0.00 0.41 0.29 0.00 0.00 0.00 0.00 176.54 177.24 1u17 h ALA 153 N 1.24 1.05 -0.33 3.60 0.00 -0.60 0.12 119.26 124.34 1u17 h ALA 153 Ca 0.26 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1u17 h ALA 153 Cb -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1u17 h ALA 153 CO -0.05 0.66 0.12 0.28 0.00 0.00 0.00 179.25 180.26 1u17 h VAL 154 N 1.14 0.91 -0.63 0.00 2.07 -0.40 -2.40 116.25 116.95 1u17 h VAL 154 Ca 0.26 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 1u17 h VAL 154 Cb 0.24 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1u17 h VAL 154 CO -0.02 0.05 0.23 0.74 0.02 0.00 0.00 177.57 178.59 1u17 h THR 155 N 0.26 1.24 0.00 2.57 2.02 -0.69 -2.06 112.91 116.25 1u17 h THR 155 Ca 0.15 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1u17 h THR 155 Cb 0.11 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1u17 h THR 155 CO -0.15 0.30 -0.01 0.00 0.37 0.00 0.00 175.52 176.03 1u17 h ALA 156 N 1.09 1.16 -0.33 6.16 0.00 -0.55 0.02 119.26 126.81 1u17 h ALA 156 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1u17 h ALA 156 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u17 h ALA 156 CO -0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1u17 n ALA 157 N -2.16 2.46 -2.89 0.00 0.00 -0.81 -4.92 120.51 112.19 1u17 n ALA 157 Ca -0.03 -0.66 -0.22 0.00 0.00 0.00 0.00 53.44 52.54 1u17 n ALA 157 Cb 0.11 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.58 1u17 n ALA 157 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u17 n SER 158 N 0.60 -6.08 -4.84 0.00 7.64 -0.01 -5.02 113.62 105.90 1u17 n SER 158 Ca 0.14 -0.23 -0.21 0.00 1.01 0.00 0.00 58.87 59.58 1u17 n SER 158 Cb 0.34 -4.93 -0.04 0.00 -1.01 0.00 0.00 64.21 58.57 1u17 n SER 158 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u17 s LEU 159 N -6.50 3.53 -0.21 -3.43 1.02 -1.00 -5.05 118.68 107.05 1u17 s LEU 159 Ca 0.24 -0.57 -0.04 0.00 0.02 0.00 0.00 54.13 53.79 1u17 s LEU 159 Cb -0.11 -2.13 -0.01 0.00 0.02 0.00 0.00 46.19 43.96 1u17 s LEU 159 CO 0.30 -0.40 -0.05 -0.54 0.02 0.00 0.00 176.35 175.68 1u17 s LYS 160 N -4.00 3.40 0.42 1.70 1.02 -1.26 -4.16 119.74 116.86 1u17 s LYS 160 Ca 0.42 -0.62 0.16 0.00 0.02 0.00 0.00 55.97 55.95 1u17 s LYS 160 Cb -0.05 -2.97 1.06 0.00 -0.52 0.00 0.00 37.83 35.35 1u17 s LYS 160 CO 0.26 -0.13 1.90 0.35 -0.92 0.00 0.00 175.35 176.82 1u17 h PHE 161 N 7.89 0.50 0.00 3.18 3.57 -1.92 -0.08 116.94 130.07 1u17 h PHE 161 Ca -0.39 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1u17 h PHE 161 Cb 1.17 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1u17 h PHE 161 CO 0.58 0.17 -0.01 0.66 -2.23 0.00 0.00 178.31 177.48 1u17 h SER 162 N 0.41 0.00 0.98 0.41 4.64 -2.03 -0.71 113.55 117.25 1u17 h SER 162 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1u17 h SER 162 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1u17 h SER 162 CO -0.13 0.01 0.00 0.44 -0.87 0.00 0.00 176.83 176.28 1u17 h ASP 163 N 0.00 0.00 -3.98 4.97 3.32 -1.42 -3.46 116.42 115.84 1u17 h ASP 163 Ca -0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 1u17 h ASP 163 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1u17 h ASP 163 CO 0.00 0.00 0.36 -0.36 -1.72 0.00 0.00 179.24 177.52 1u17 s PHE 164 N -3.32 3.40 -0.12 4.55 0.40 -0.27 -4.82 117.98 117.80 1u17 s PHE 164 Ca 0.05 1.67 -0.06 0.00 -0.60 0.00 0.00 56.93 58.00 1u17 s PHE 164 Cb 0.10 -2.96 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 1u17 s PHE 164 CO 0.47 -0.19 0.09 0.42 0.70 0.00 0.00 175.22 176.70 1u17 s ILE 165 N -1.85 5.06 0.27 0.64 1.01 0.13 -4.85 121.20 121.61 1u17 s ILE 165 Ca 0.58 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 1u17 s ILE 165 Cb -0.16 -3.20 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 1u17 s ILE 165 CO 0.21 0.59 1.20 -0.55 0.00 0.00 0.00 174.94 176.38 1u17 s SER 166 N -0.78 7.06 -0.11 3.58 0.15 -1.26 -0.29 113.70 122.04 1u17 s SER 166 Ca 0.13 2.40 -0.05 0.00 0.70 0.00 0.00 55.95 59.13 1u17 s SER 166 Cb -0.12 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 1u17 s SER 166 CO 0.03 -0.33 -0.14 0.35 1.20 0.00 0.00 173.24 174.35 1u17 n THR 167 N 1.47 0.60 -0.04 6.45 -2.24 -0.34 -4.55 114.28 115.64 1u17 n THR 167 Ca 0.01 -0.16 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1u17 n THR 167 Cb 0.44 -1.57 0.06 0.00 -2.10 0.00 0.00 70.33 67.15 1u17 n THR 167 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1u17 n LYS 168 N -3.42 -0.01 -0.12 -0.78 4.81 -1.06 -2.08 118.16 115.49 1u17 n LYS 168 Ca -0.21 0.15 0.02 0.00 -0.87 0.00 0.00 58.31 57.40 1u17 n LYS 168 Cb 0.66 -0.27 0.07 0.00 0.02 0.00 0.00 35.03 35.51 1u17 n LYS 168 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1u17 n ASP 169 N -3.37 1.29 -1.09 3.14 10.43 -1.26 -4.71 116.55 120.97 1u17 n ASP 169 Ca 0.04 -2.08 -0.04 0.00 2.57 0.00 0.00 54.79 55.28 1u17 n ASP 169 Cb 0.13 -0.28 0.17 0.00 1.84 0.00 0.00 41.12 42.98 1u17 n ASP 169 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1u17 n ASN 170 N 0.02 2.71 -3.85 -2.24 4.13 -0.89 -4.97 115.26 110.16 1u17 n ASN 170 Ca 0.05 -3.84 -0.38 0.00 1.68 0.00 0.00 54.58 52.09 1u17 n ASN 170 Cb 0.26 -0.55 0.03 0.00 -1.54 0.00 0.00 39.78 37.99 1u17 n ASN 170 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1u17 n LYS 171 N -1.04 -0.78 -3.01 3.52 4.01 -1.26 -4.80 118.16 114.79 1u17 n LYS 171 Ca 0.30 0.29 -0.37 0.00 -0.51 0.00 0.00 58.31 58.01 1u17 n LYS 171 Cb 0.85 -3.41 -0.06 0.00 -0.51 0.00 0.00 35.03 31.90 1u17 n LYS 171 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u17 s GLU 173 N -1.74 1.15 0.17 0.00 0.41 -1.26 -5.15 118.70 112.28 1u17 s GLU 173 Ca 0.42 -0.82 0.09 0.00 -0.41 0.00 0.00 54.97 54.24 1u17 s GLU 173 Cb -0.19 -1.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.91 1u17 s GLU 173 CO 0.23 0.30 -0.19 0.71 -0.49 0.00 0.00 175.26 175.83 1u17 s TYR 174 N -0.79 1.86 -0.61 1.61 2.02 -1.26 -4.87 117.35 115.31 1u17 s TYR 174 Ca 0.04 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.35 1u17 s TYR 174 Cb -0.08 -0.93 0.24 0.00 -0.40 0.00 0.00 41.96 40.80 1u17 s TYR 174 CO 0.01 0.35 0.69 -3.47 -1.57 0.00 0.00 175.55 171.57 1u17 n ASP 175 N 0.26 3.17 0.11 2.29 2.03 -1.26 -4.95 116.55 118.20 1u17 n ASP 175 Ca -0.13 -3.31 0.03 0.00 0.52 0.00 0.00 54.79 51.90 1u17 n ASP 175 Cb 0.57 -0.67 0.42 0.00 -0.72 0.00 0.00 41.12 40.72 1u17 n ASP 175 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1u17 h ASN 176 N 4.25 0.26 -0.05 1.67 -0.26 -1.99 -2.18 115.58 117.28 1u17 h ASN 176 Ca 0.18 -0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1u17 h ASN 176 Cb 0.70 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.87 1u17 h ASN 176 CO 0.77 0.33 -0.09 0.58 -1.06 0.00 0.00 177.43 177.96 1u17 h VAL 177 N 0.27 0.75 -0.60 2.81 2.07 -2.00 -0.44 116.25 119.11 1u17 h VAL 177 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1u17 h VAL 177 Cb 0.24 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1u17 h VAL 177 CO 0.01 0.00 0.21 0.28 0.02 0.00 0.00 177.57 178.09 1u17 h SER 178 N -0.14 0.86 -0.14 0.57 0.02 -1.84 -1.17 113.55 111.72 1u17 h SER 178 Ca 0.05 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1u17 h SER 178 Cb 0.21 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1u17 h SER 178 CO -0.13 0.82 -0.06 0.25 -1.14 0.00 0.00 176.83 176.57 1u17 h LEU 179 N 0.85 -0.19 -0.74 5.07 5.85 -1.14 0.81 115.31 125.82 1u17 h LEU 179 Ca 0.20 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 1u17 h LEU 179 Cb 0.26 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1u17 h LEU 179 CO -0.01 -0.08 -0.23 0.11 -0.34 0.00 0.00 178.44 177.89 1u17 h LYS 180 N -0.04 0.70 -0.44 1.25 1.57 -0.96 -2.72 116.57 115.95 1u17 h LYS 180 Ca 0.07 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1u17 h LYS 180 Cb 0.15 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1u17 h LYS 180 CO -0.17 0.87 0.08 0.66 -0.57 0.00 0.00 179.45 180.33 1u17 h SER 181 N 0.61 0.62 0.60 0.86 4.64 -0.70 -2.74 113.55 117.44 1u17 h SER 181 Ca 0.09 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1u17 h SER 181 Cb 0.72 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1u17 h SER 181 CO 0.06 0.63 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.41 1u17 h LEU 182 N 0.64 0.00 -1.99 5.97 3.38 -0.53 -3.06 115.31 119.72 1u17 h LEU 182 Ca 0.14 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.31 1u17 h LEU 182 Cb 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1u17 h LEU 182 CO 0.00 0.17 0.51 -0.07 0.09 0.00 0.00 178.44 179.14 1u17 h LEU 183 N 0.00 0.00 -1.19 1.67 3.38 -1.36 0.21 115.31 118.02 1u17 h LEU 183 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u17 h LEU 183 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1u17 h LEU 183 CO 0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1u17 n THR 184 N -4.19 0.24 0.31 0.22 -2.24 -1.16 -4.64 114.28 102.82 1u17 n THR 184 Ca 0.13 -0.38 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 1u17 n THR 184 Cb 0.77 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1u17 n THR 184 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79