#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ku8 s LYS 2 N 0.00 4.26 0.50 1.61 2.20 -0.41 -4.77 119.74 123.14 1ku8 s LYS 2 Ca 0.00 0.41 -0.17 0.00 -0.36 0.00 0.00 55.97 55.84 1ku8 s LYS 2 Cb 0.00 -3.50 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 1ku8 s LYS 2 CO 0.00 0.01 0.98 0.00 -0.36 0.00 0.00 175.35 175.98 1ku8 s ALA 3 N 1.12 3.05 0.09 3.13 0.00 -1.26 -0.74 121.76 127.15 1ku8 s ALA 3 Ca 0.24 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.35 1ku8 s ALA 3 Cb -0.15 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 1ku8 s ALA 3 CO 0.10 -0.18 0.19 -0.59 0.00 0.00 0.00 175.76 175.28 1ku8 s PHE 4 N -2.53 0.16 -0.29 0.00 -0.71 0.25 -4.93 117.98 109.93 1ku8 s PHE 4 Ca 0.60 -0.59 0.03 0.00 -1.04 0.00 0.00 56.93 55.93 1ku8 s PHE 4 Cb -0.10 -0.06 0.17 0.00 -1.21 0.00 0.00 43.02 41.82 1ku8 s PHE 4 CO 0.28 -0.55 0.47 0.34 -1.34 0.00 0.00 175.22 174.42 1ku8 s ASP 5 N -2.86 -0.30 0.26 1.98 -1.08 -1.26 -0.67 116.67 112.74 1ku8 s ASP 5 Ca 0.05 -0.18 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 1ku8 s ASP 5 Cb 0.05 1.42 0.33 0.00 -1.46 0.00 0.00 42.92 43.26 1ku8 s ASP 5 CO -0.11 -0.34 1.69 0.44 0.52 0.00 0.00 175.17 177.37 1ku8 h ASP 6 N 8.11 0.59 -3.52 -0.34 3.32 -1.65 -3.49 116.42 119.44 1ku8 h ASP 6 Ca -0.06 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1ku8 h ASP 6 Cb 1.14 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1ku8 h ASP 6 CO 0.23 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 179.18 1ku8 n GLY 7 N -0.32 -1.44 3.64 2.75 0.00 -1.25 -4.98 105.19 103.58 1ku8 n GLY 7 Ca -0.00 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 1ku8 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ku8 s ALA 8 N -2.00 3.15 0.00 4.61 0.00 -1.26 -3.90 121.76 122.36 1ku8 s ALA 8 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1ku8 s ALA 8 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1ku8 s ALA 8 CO 0.00 0.63 0.00 1.19 0.00 0.00 0.00 175.76 177.58 1ku8 n PHE 9 N 1.47 0.00 0.32 0.00 3.01 0.22 -5.00 117.46 117.48 1ku8 n PHE 9 Ca -0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.42 1ku8 n PHE 9 Cb 0.53 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.01 1ku8 n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ku8 n THR 10 N 0.00 0.37 -3.50 4.37 -1.04 -0.10 -4.84 114.28 109.53 1ku8 n THR 10 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1ku8 n THR 10 Cb 0.00 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1ku8 n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ku8 n GLY 11 N 1.27 -1.22 3.05 3.41 0.00 -1.15 -4.91 105.19 105.64 1ku8 n GLY 11 Ca 0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 1ku8 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ku8 s ILE 12 N -3.00 1.18 -0.15 -0.61 1.01 -1.26 -0.96 121.20 117.41 1ku8 s ILE 12 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.18 1ku8 s ILE 12 Cb 0.00 -1.06 -0.13 0.00 0.01 0.00 0.00 42.46 41.28 1ku8 s ILE 12 CO 0.00 0.36 -0.05 0.54 0.00 0.00 0.00 174.94 175.79 1ku8 n ARG 13 N 3.60 1.15 -3.56 2.79 1.74 0.01 -4.75 116.66 117.64 1ku8 n ARG 13 Ca -0.21 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.75 1ku8 n ARG 13 Cb 0.52 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.57 1ku8 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ku8 s GLU 14 N -2.32 0.93 -0.09 5.56 2.12 -0.81 -1.89 118.70 122.20 1ku8 s GLU 14 Ca -0.14 0.49 0.03 0.00 0.36 0.00 0.00 54.97 55.71 1ku8 s GLU 14 Cb 0.05 0.44 0.01 0.00 0.26 0.00 0.00 34.13 34.89 1ku8 s GLU 14 CO 0.45 -0.24 -0.19 0.42 -0.54 0.00 0.00 175.26 175.17 1ku8 s ILE 15 N -0.63 1.70 -0.27 -3.70 1.01 -0.38 -0.74 121.20 118.18 1ku8 s ILE 15 Ca -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1ku8 s ILE 15 Cb -0.02 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 41.03 1ku8 s ILE 15 CO 0.06 0.48 -0.08 0.20 0.00 0.00 0.00 174.94 175.60 1ku8 s ASN 16 N 0.50 4.46 0.24 3.58 0.01 -0.24 -0.72 114.94 122.77 1ku8 s ASN 16 Ca -0.16 -1.50 0.05 0.00 -0.71 0.00 0.00 52.86 50.54 1ku8 s ASN 16 Cb -0.17 -1.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.90 1ku8 s ASN 16 CO 0.06 -0.22 -0.06 -1.48 -1.51 0.00 0.00 177.10 173.89 1ku8 s LEU 17 N 1.09 2.40 0.11 0.60 0.05 -1.02 -1.16 118.68 120.75 1ku8 s LEU 17 Ca -0.06 -1.15 0.07 0.00 0.05 0.00 0.00 54.13 53.04 1ku8 s LEU 17 Cb -0.20 -0.48 -0.04 0.00 -2.05 0.00 0.00 46.19 43.42 1ku8 s LEU 17 CO -0.06 -0.37 -0.18 -0.94 -0.55 0.00 0.00 176.35 174.25 1ku8 s SER 18 N -3.34 2.30 0.17 1.48 1.04 -0.76 -1.10 113.70 113.49 1ku8 s SER 18 Ca 0.27 -0.73 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 1ku8 s SER 18 Cb 0.04 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1ku8 s SER 18 CO 0.09 -0.03 0.17 -0.72 0.98 0.00 0.00 173.24 173.74 1ku8 s TYR 19 N -1.56 0.79 -0.06 5.02 1.13 -0.42 -1.03 117.35 121.22 1ku8 s TYR 19 Ca 0.07 -1.11 0.02 0.00 -1.41 0.00 0.00 57.07 54.64 1ku8 s TYR 19 Cb -0.08 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.46 1ku8 s TYR 19 CO 0.04 -0.65 -0.11 1.21 -2.51 0.00 0.00 175.55 173.53 1ku8 s ASN 20 N -3.06 1.70 0.00 -0.18 3.84 -0.99 0.40 114.94 116.65 1ku8 s ASN 20 Ca 0.27 -0.28 0.19 0.00 0.21 0.00 0.00 52.86 53.24 1ku8 s ASN 20 Cb 0.06 -0.79 1.11 0.00 -0.55 0.00 0.00 41.25 41.08 1ku8 s ASN 20 CO 0.05 0.02 1.54 0.29 -2.79 0.00 0.00 177.10 176.21 1ku8 n LYS 21 N 3.87 0.69 -0.00 0.43 5.02 -1.26 -3.04 118.16 123.87 1ku8 n LYS 21 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1ku8 n LYS 21 Cb 0.52 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1ku8 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ku8 n GLU 22 N -0.92 1.80 0.00 1.97 1.02 -1.26 -4.73 120.64 118.52 1ku8 n GLU 22 Ca 0.14 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1ku8 n GLU 22 Cb 0.06 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1ku8 n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ku8 n THR 23 N -1.37 0.00 -3.25 2.62 -2.24 -1.17 -5.00 114.28 103.87 1ku8 n THR 23 Ca -0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ku8 n THR 23 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1ku8 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ku8 n ALA 24 N -2.04 -0.06 -1.76 6.98 0.00 -1.24 -4.52 120.51 117.86 1ku8 n ALA 24 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1ku8 n ALA 24 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 1ku8 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ku8 s ILE 25 N -2.75 3.58 0.00 0.00 -1.09 -1.04 -2.35 121.20 117.55 1ku8 s ILE 25 Ca 0.01 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.91 1ku8 s ILE 25 Cb -0.00 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1ku8 s ILE 25 CO 0.00 0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 1ku8 n GLY 26 N 0.98 0.89 3.74 6.18 0.00 -0.20 -1.58 105.19 115.20 1ku8 n GLY 26 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ku8 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ku8 s ASP 27 N 0.28 4.91 -0.11 1.61 1.01 -1.25 -4.22 116.67 118.91 1ku8 s ASP 27 Ca 0.00 2.61 -0.05 0.00 0.71 0.00 0.00 52.55 55.82 1ku8 s ASP 27 Cb 0.00 -2.62 0.05 0.00 1.01 0.00 0.00 42.92 41.36 1ku8 s ASP 27 CO 0.00 -1.80 0.24 0.12 0.21 0.00 0.00 175.17 173.94 1ku8 s PHE 28 N -1.41 -0.33 -0.00 4.23 5.36 -0.15 -1.82 117.98 123.86 1ku8 s PHE 28 Ca 0.79 0.79 -0.16 0.00 -0.96 0.00 0.00 56.93 57.39 1ku8 s PHE 28 Cb -0.37 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.37 1ku8 s PHE 28 CO 0.40 -0.24 0.33 -1.14 -1.46 0.00 0.00 175.22 173.11 1ku8 s GLN 29 N 1.36 0.73 -0.03 10.12 -0.44 -0.31 -1.05 119.66 130.03 1ku8 s GLN 29 Ca -0.08 -0.24 -0.02 0.00 -2.50 0.00 0.00 55.36 52.52 1ku8 s GLN 29 Cb -0.11 0.32 0.01 0.00 -1.64 0.00 0.00 33.01 31.60 1ku8 s GLN 29 CO -0.08 -0.21 0.06 0.08 0.50 0.00 0.00 175.29 175.64 1ku8 s VAL 30 N -1.61 -0.01 -0.41 1.34 1.01 -1.26 -1.08 120.40 118.38 1ku8 s VAL 30 Ca -0.11 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1ku8 s VAL 30 Cb -0.04 -0.10 0.04 0.00 0.00 0.00 0.00 36.38 36.27 1ku8 s VAL 30 CO 0.03 0.02 0.29 -0.69 0.00 0.00 0.00 175.10 174.75 1ku8 s VAL 31 N 0.26 5.00 0.77 2.92 1.01 0.08 -0.96 120.40 129.49 1ku8 s VAL 31 Ca -0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1ku8 s VAL 31 Cb -0.03 -3.84 0.15 0.00 0.00 0.00 0.00 36.38 32.65 1ku8 s VAL 31 CO -0.01 -0.35 1.06 -0.31 0.00 0.00 0.00 175.10 175.49 1ku8 s TYR 32 N 1.62 1.47 -0.10 5.22 1.51 0.06 -0.81 117.35 126.32 1ku8 s TYR 32 Ca 0.04 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1ku8 s TYR 32 Cb -0.20 -3.18 -0.03 0.00 -0.11 0.00 0.00 41.96 38.43 1ku8 s TYR 32 CO 0.08 -1.92 -0.03 0.34 -1.11 0.00 0.00 175.55 172.90 1ku8 s ASP 33 N -4.79 4.92 -0.33 2.29 2.15 -0.14 -0.94 116.67 119.83 1ku8 s ASP 33 Ca 0.68 0.00 0.01 0.00 0.43 0.00 0.00 52.55 53.68 1ku8 s ASP 33 Cb -0.05 -1.48 0.10 0.00 -0.30 0.00 0.00 42.92 41.19 1ku8 s ASP 33 CO 0.46 0.30 0.09 -0.22 -0.17 0.00 0.00 175.17 175.63 1ku8 s LEU 34 N -0.44 3.24 -1.66 -1.34 2.96 0.49 -0.92 118.68 121.00 1ku8 s LEU 34 Ca 0.07 -1.89 -0.16 0.00 -0.22 0.00 0.00 54.13 51.93 1ku8 s LEU 34 Cb -0.12 -1.17 0.14 0.00 0.50 0.00 0.00 46.19 45.53 1ku8 s LEU 34 CO 0.02 -0.39 0.74 0.59 -1.32 0.00 0.00 176.35 175.98 1ku8 n ASN 35 N 4.55 -2.92 0.00 3.68 5.03 -1.26 -1.84 115.26 122.50 1ku8 n ASN 35 Ca 0.01 -1.01 0.00 0.00 0.87 0.00 0.00 54.58 54.45 1ku8 n ASN 35 Cb 0.42 -2.80 0.00 0.00 -1.02 0.00 0.00 39.78 36.38 1ku8 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ku8 n GLY 36 N -1.50 1.59 3.59 7.41 0.00 -1.26 -5.07 105.19 109.95 1ku8 n GLY 36 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1ku8 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ku8 s SER 37 N -1.58 4.60 0.31 1.61 0.01 -0.77 -5.09 113.70 112.80 1ku8 s SER 37 Ca 0.00 -0.15 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 1ku8 s SER 37 Cb 0.00 -1.06 -0.10 0.00 0.21 0.00 0.00 66.02 65.07 1ku8 s SER 37 CO 0.00 0.28 1.27 -2.84 0.41 0.00 0.00 173.24 172.37 1ku8 s PRO 38 N -1.42 4.41 -0.29 12.44 0.02 -1.26 -0.38 135.00 148.52 1ku8 s PRO 38 Ca 0.17 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.34 1ku8 s PRO 38 Cb -0.11 -3.10 0.06 0.00 0.02 0.00 0.00 34.50 31.37 1ku8 s PRO 38 CO 0.07 -0.13 -0.04 -0.47 -0.33 0.00 0.00 177.00 176.11 1ku8 s TYR 39 N -1.06 3.33 -0.58 6.54 6.14 -0.12 -4.83 117.35 126.78 1ku8 s TYR 39 Ca 0.49 -2.24 -0.26 0.00 0.64 0.00 0.00 57.07 55.70 1ku8 s TYR 39 Cb -0.38 -2.15 0.04 0.00 0.42 0.00 0.00 41.96 39.88 1ku8 s TYR 39 CO 0.50 -0.86 1.09 0.08 0.64 0.00 0.00 175.55 176.99 1ku8 s VAL 40 N 1.14 4.16 0.78 3.14 1.01 -1.26 -0.76 120.40 128.61 1ku8 s VAL 40 Ca -0.05 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 1ku8 s VAL 40 Cb -0.20 -4.66 0.06 0.00 0.00 0.00 0.00 36.38 31.58 1ku8 s VAL 40 CO -0.04 -1.29 1.10 -0.83 0.00 0.00 0.00 175.10 174.05 1ku8 s GLY 41 N 2.99 1.73 0.55 4.51 0.00 -0.13 -4.99 107.32 111.98 1ku8 s GLY 41 Ca 0.36 0.35 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 1ku8 s GLY 41 CO 0.21 0.71 1.10 1.20 0.00 0.00 0.00 173.10 176.32 1ku8 s GLN 42 N -4.78 3.37 -0.23 2.90 -1.52 -1.26 -4.59 119.66 113.55 1ku8 s GLN 42 Ca 0.63 1.47 -0.26 0.00 -1.95 0.00 0.00 55.36 55.25 1ku8 s GLN 42 Cb -0.18 -2.02 -0.00 0.00 -0.22 0.00 0.00 33.01 30.58 1ku8 s GLN 42 CO 0.55 -0.81 0.90 1.21 -0.25 0.00 0.00 175.29 176.89 1ku8 s ASN 43 N -2.06 6.93 -0.37 5.90 2.47 -1.26 -4.53 114.94 122.02 1ku8 s ASN 43 Ca 0.70 1.16 -0.18 0.00 0.42 0.00 0.00 52.86 54.96 1ku8 s ASN 43 Cb -0.21 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1ku8 s ASN 43 CO 0.29 -0.55 0.50 -1.00 -3.72 0.00 0.00 177.10 172.62 1ku8 s HIS 44 N 2.87 3.17 -0.11 0.43 3.76 -0.22 -4.98 115.29 120.21 1ku8 s HIS 44 Ca 0.38 0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 55.26 1ku8 s HIS 44 Cb -0.15 -2.95 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 1ku8 s HIS 44 CO 0.08 -0.60 0.15 0.15 -0.85 0.00 0.00 174.74 173.67 1ku8 s LYS 45 N 2.36 3.45 0.73 1.40 -0.14 -1.26 -0.98 119.74 125.30 1ku8 s LYS 45 Ca 0.17 -0.13 -0.13 0.00 -1.36 0.00 0.00 55.97 54.51 1ku8 s LYS 45 Cb -0.16 -3.18 0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1ku8 s LYS 45 CO 0.14 0.77 1.13 0.45 -0.76 0.00 0.00 175.35 177.08 1ku8 s SER 46 N -1.10 4.54 0.01 2.83 0.15 -1.26 -4.77 113.70 114.09 1ku8 s SER 46 Ca 0.16 2.04 0.25 0.00 0.70 0.00 0.00 55.95 59.11 1ku8 s SER 46 Cb -0.12 -2.55 1.07 0.00 -1.71 0.00 0.00 66.02 62.71 1ku8 s SER 46 CO 0.05 -2.02 1.81 0.49 1.20 0.00 0.00 173.24 174.78 1ku8 n PHE 47 N -2.95 0.04 -4.46 3.44 3.72 0.21 -4.87 117.46 112.59 1ku8 n PHE 47 Ca 0.11 0.01 -0.22 0.00 -0.05 0.00 0.00 57.45 57.30 1ku8 n PHE 47 Cb 0.52 -0.52 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 1ku8 n PHE 47 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1ku8 s ILE 48 N -3.01 1.21 0.24 4.37 -4.36 -1.26 -5.00 121.20 113.39 1ku8 s ILE 48 Ca 0.12 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.55 1ku8 s ILE 48 Cb 0.16 -2.80 0.04 0.00 1.25 0.00 0.00 42.46 41.11 1ku8 s ILE 48 CO 0.47 0.00 0.29 0.35 0.24 0.00 0.00 174.94 176.29 1ku8 n THR 49 N -0.70 0.00 -0.25 8.37 -2.24 -1.26 -4.83 114.28 113.37 1ku8 n THR 49 Ca -0.02 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1ku8 n THR 49 Cb 0.67 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1ku8 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ku8 n GLY 50 N 2.11 0.77 3.91 3.38 0.00 -1.26 -5.09 105.19 109.01 1ku8 n GLY 50 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1ku8 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ku8 s PHE 51 N -2.21 3.55 -0.25 1.61 0.08 -1.26 -4.85 117.98 114.65 1ku8 s PHE 51 Ca 0.00 0.81 -0.09 0.00 0.12 0.00 0.00 56.93 57.77 1ku8 s PHE 51 Cb 0.00 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 1ku8 s PHE 51 CO 0.00 -0.25 0.13 0.99 -0.10 0.00 0.00 175.22 175.99 1ku8 s THR 52 N -2.69 4.96 0.34 0.64 2.01 0.16 -4.83 115.64 116.23 1ku8 s THR 52 Ca 0.47 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 62.33 1ku8 s THR 52 Cb -0.10 -3.32 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 1ku8 s THR 52 CO 0.43 0.32 0.83 -2.16 -0.69 0.00 0.00 174.62 173.35 1ku8 s PRO 53 N 1.41 4.18 0.00 4.92 0.04 -1.26 -1.30 135.00 142.99 1ku8 s PRO 53 Ca 0.06 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.03 1ku8 s PRO 53 Cb -0.15 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.93 1ku8 s PRO 53 CO 0.06 0.14 -0.02 0.08 0.04 0.00 0.00 177.00 177.30 1ku8 s VAL 54 N -1.94 0.16 -0.22 -0.36 1.01 -0.26 -4.99 120.40 113.81 1ku8 s VAL 54 Ca 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 1ku8 s VAL 54 Cb -0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 1ku8 s VAL 54 CO 0.17 0.00 -0.06 -0.75 0.00 0.00 0.00 175.10 174.46 1ku8 s LYS 55 N -0.16 3.32 -0.47 2.72 2.20 -1.26 -2.44 119.74 123.64 1ku8 s LYS 55 Ca -0.00 -0.66 -0.11 0.00 -0.36 0.00 0.00 55.97 54.83 1ku8 s LYS 55 Cb -0.01 -2.96 0.11 0.00 -1.51 0.00 0.00 37.83 33.45 1ku8 s LYS 55 CO -0.00 -0.21 0.37 0.42 -0.36 0.00 0.00 175.35 175.57 1ku8 s ILE 56 N 1.45 4.56 -0.52 5.43 1.01 0.10 -5.00 121.20 128.24 1ku8 s ILE 56 Ca 0.06 -1.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.00 1ku8 s ILE 56 Cb -0.14 -3.90 0.11 0.00 0.01 0.00 0.00 42.46 38.54 1ku8 s ILE 56 CO -0.04 -0.71 0.48 -0.44 0.00 0.00 0.00 174.94 174.23 1ku8 s SER 57 N 2.74 6.18 0.37 3.58 0.01 -1.26 -1.25 113.70 124.06 1ku8 s SER 57 Ca 0.04 -1.61 -0.24 0.00 1.31 0.00 0.00 55.95 55.46 1ku8 s SER 57 Cb -0.26 -2.21 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 1ku8 s SER 57 CO 0.02 -0.81 0.94 -0.76 0.41 0.00 0.00 173.24 173.03 1ku8 s LEU 58 N 1.71 4.16 -1.34 2.44 1.43 -0.79 -4.97 118.68 121.31 1ku8 s LEU 58 Ca 0.04 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 1ku8 s LEU 58 Cb -0.28 -4.24 0.12 0.00 0.03 0.00 0.00 46.19 41.83 1ku8 s LEU 58 CO 0.05 -0.19 1.99 -0.67 0.23 0.00 0.00 176.35 177.75 1ku8 n ASP 59 N 0.02 4.66 -4.77 2.29 2.03 -1.26 -4.86 116.55 114.67 1ku8 n ASP 59 Ca 0.04 -3.01 -0.41 0.00 0.52 0.00 0.00 54.79 51.93 1ku8 n ASP 59 Cb 0.52 -1.54 -0.02 0.00 -0.72 0.00 0.00 41.12 39.35 1ku8 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ku8 s PHE 60 N 1.41 3.10 -1.70 -0.67 5.36 -1.26 -0.92 117.98 123.31 1ku8 s PHE 60 Ca 0.42 1.41 0.25 0.00 -0.96 0.00 0.00 56.93 58.05 1ku8 s PHE 60 Cb 0.11 -3.65 0.44 0.00 -0.34 0.00 0.00 43.02 39.58 1ku8 s PHE 60 CO -0.03 -1.79 1.37 -0.35 -1.46 0.00 0.00 175.22 172.95 1ku8 n PRO 61 N 1.03 0.79 0.19 10.12 -0.04 -1.26 -4.88 135.00 140.96 1ku8 n PRO 61 Ca 0.01 -0.55 0.05 0.00 -0.04 0.00 0.00 63.50 62.97 1ku8 n PRO 61 Cb 0.42 -1.49 0.38 0.00 -0.04 0.00 0.00 33.50 32.77 1ku8 n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ku8 h SER 62 N 1.34 0.00 -3.26 3.54 4.64 -1.88 -3.42 113.55 114.51 1ku8 h SER 62 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1ku8 h SER 62 Cb 0.58 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.52 1ku8 h SER 62 CO 0.00 0.36 -0.55 -0.70 -0.87 0.00 0.00 176.83 175.07 1ku8 s GLU 63 N -3.77 3.96 0.01 4.77 2.12 -0.09 -4.95 118.70 120.74 1ku8 s GLU 63 Ca -0.01 -0.32 -0.16 0.00 0.36 0.00 0.00 54.97 54.84 1ku8 s GLU 63 Cb 0.12 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.31 1ku8 s GLU 63 CO 0.69 0.31 0.33 1.52 -0.54 0.00 0.00 175.26 177.57 1ku8 s TYR 64 N 0.28 -0.19 0.10 5.30 -0.85 -1.26 -4.27 117.35 116.47 1ku8 s TYR 64 Ca 0.04 0.21 -0.31 0.00 -0.52 0.00 0.00 57.07 56.49 1ku8 s TYR 64 Cb -0.12 0.12 -0.08 0.00 0.38 0.00 0.00 41.96 42.26 1ku8 s TYR 64 CO -0.00 -0.45 1.48 0.42 -1.52 0.00 0.00 175.55 175.47 1ku8 s ILE 65 N -1.80 3.16 -0.03 -3.49 1.01 -1.26 -2.58 121.20 116.21 1ku8 s ILE 65 Ca -0.10 0.77 0.13 0.00 0.00 0.00 0.00 60.65 61.45 1ku8 s ILE 65 Cb -0.03 -3.49 -0.20 0.00 0.01 0.00 0.00 42.46 38.75 1ku8 s ILE 65 CO 0.02 0.04 0.26 0.23 0.00 0.00 0.00 174.94 175.49 1ku8 n MET 66 N 4.42 0.53 -3.68 2.79 2.81 0.79 -4.73 117.12 120.05 1ku8 n MET 66 Ca 0.13 -0.11 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 1ku8 n MET 66 Cb 0.41 -1.31 -0.09 0.00 -0.71 0.00 0.00 33.22 31.53 1ku8 n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ku8 s GLU 67 N -2.85 0.60 -0.13 0.03 2.12 -0.95 -0.49 118.70 117.03 1ku8 s GLU 67 Ca -0.05 0.86 0.01 0.00 0.36 0.00 0.00 54.97 56.16 1ku8 s GLU 67 Cb 0.08 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.66 1ku8 s GLU 67 CO 0.53 -0.11 -0.17 0.08 -0.54 0.00 0.00 175.26 175.06 1ku8 s VAL 68 N 0.82 2.65 0.17 3.70 1.01 -0.59 -1.61 120.40 126.54 1ku8 s VAL 68 Ca -0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1ku8 s VAL 68 Cb -0.05 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1ku8 s VAL 68 CO -0.07 0.53 0.10 -0.94 0.00 0.00 0.00 175.10 174.73 1ku8 s SER 69 N 0.53 0.21 0.00 3.32 1.04 -0.93 0.51 113.70 118.38 1ku8 s SER 69 Ca -0.11 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1ku8 s SER 69 Cb -0.16 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ku8 s SER 69 CO 0.04 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1ku8 n GLY 70 N -0.20 -0.59 2.91 7.32 0.00 -0.86 -0.68 105.19 113.09 1ku8 n GLY 70 Ca -0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1ku8 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ku8 s TYR 71 N -3.35 0.15 0.13 1.61 2.02 -1.00 -1.91 117.35 115.00 1ku8 s TYR 71 Ca 0.00 -0.14 0.11 0.00 -0.37 0.00 0.00 57.07 56.67 1ku8 s TYR 71 Cb 0.00 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 1ku8 s TYR 71 CO 0.00 -0.04 -0.27 0.95 -1.57 0.00 0.00 175.55 174.62 1ku8 s THR 72 N -0.36 2.26 0.00 -0.71 -4.23 -0.62 -0.42 115.64 111.57 1ku8 s THR 72 Ca -0.03 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1ku8 s THR 72 Cb -0.03 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1ku8 s THR 72 CO -0.00 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1ku8 n GLY 73 N 0.88 -0.15 3.73 3.99 0.00 -0.16 -0.86 105.19 112.63 1ku8 n GLY 73 Ca -0.18 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1ku8 n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ku8 s ASN 74 N 0.00 7.05 -0.08 1.61 0.01 -1.26 -1.67 114.94 120.60 1ku8 s ASN 74 Ca 0.00 2.24 -0.03 0.00 -0.71 0.00 0.00 52.86 54.36 1ku8 s ASN 74 Cb 0.00 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 39.10 1ku8 s ASN 74 CO 0.00 -0.42 0.14 -0.69 -1.51 0.00 0.00 177.10 174.63 1ku8 s VAL 75 N 0.14 -0.23 -1.86 1.60 1.01 -0.81 -4.79 120.40 115.46 1ku8 s VAL 75 Ca 0.54 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1ku8 s VAL 75 Cb -0.33 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1ku8 s VAL 75 CO 0.36 0.15 0.00 -1.20 0.00 0.00 0.00 175.10 174.41 1ku8 n SER 76 N 5.29 -5.65 0.00 3.32 7.64 -1.26 -2.73 113.62 120.24 1ku8 n SER 76 Ca -0.05 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1ku8 n SER 76 Cb 0.50 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 1ku8 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ku8 n GLY 77 N -0.82 2.81 3.96 0.23 0.00 -1.26 -5.05 105.19 105.07 1ku8 n GLY 77 Ca -0.23 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1ku8 n GLY 77 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ku8 s TYR 78 N -1.14 3.46 0.13 1.61 -0.85 -1.10 -4.86 117.35 114.59 1ku8 s TYR 78 Ca 0.00 0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.27 1ku8 s TYR 78 Cb 0.00 -1.60 -0.07 0.00 0.38 0.00 0.00 41.96 40.67 1ku8 s TYR 78 CO 0.00 0.44 1.12 0.08 -1.52 0.00 0.00 175.55 175.67 1ku8 s VAL 79 N -1.94 4.01 0.25 -3.49 1.01 -1.26 -1.92 120.40 117.06 1ku8 s VAL 79 Ca 0.34 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.90 1ku8 s VAL 79 Cb -0.09 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1ku8 s VAL 79 CO 0.29 0.22 0.31 0.68 0.00 0.00 0.00 175.10 176.60 1ku8 s VAL 80 N 0.24 0.00 -0.46 2.92 -7.23 -0.67 -4.82 120.40 110.38 1ku8 s VAL 80 Ca 0.52 -1.75 -0.22 0.00 -1.81 0.00 0.00 61.98 58.72 1ku8 s VAL 80 Cb -0.29 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.25 1ku8 s VAL 80 CO 0.33 0.00 0.76 -0.69 -0.31 0.00 0.00 175.10 175.18 1ku8 s VAL 81 N -3.87 4.68 -0.07 1.32 1.01 0.33 -0.99 120.40 122.80 1ku8 s VAL 81 Ca 0.33 0.27 0.13 0.00 0.00 0.00 0.00 61.98 62.71 1ku8 s VAL 81 Cb 0.03 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1ku8 s VAL 81 CO 0.14 -0.74 1.16 0.03 0.00 0.00 0.00 175.10 175.68 1ku8 h ARG 82 N 9.00 0.00 -3.36 2.72 3.08 -1.04 -2.75 114.38 122.03 1ku8 h ARG 82 Ca -0.25 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 1ku8 h ARG 82 Cb 1.09 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.96 1ku8 h ARG 82 CO 0.96 0.55 -0.31 0.45 -1.07 0.00 0.00 179.97 180.56 1ku8 s SER 83 N -6.29 -0.08 -0.00 7.04 0.15 -1.13 -1.38 113.70 112.02 1ku8 s SER 83 Ca 0.01 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.42 1ku8 s SER 83 Cb 0.08 0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1ku8 s SER 83 CO 0.79 -0.57 0.03 -0.76 1.20 0.00 0.00 173.24 173.94 1ku8 s LEU 84 N -1.96 1.93 -0.01 3.45 1.43 -0.86 -2.37 118.68 120.29 1ku8 s LEU 84 Ca -0.06 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1ku8 s LEU 84 Cb -0.02 0.22 0.00 0.00 0.03 0.00 0.00 46.19 46.43 1ku8 s LEU 84 CO -0.02 -0.17 -0.03 -0.89 0.23 0.00 0.00 176.35 175.47 1ku8 s THR 85 N -0.72 0.27 -0.20 5.49 2.01 0.14 -1.50 115.64 121.13 1ku8 s THR 85 Ca -0.08 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1ku8 s THR 85 Cb -0.05 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.23 1ku8 s THR 85 CO -0.00 0.10 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.51 1ku8 s PHE 86 N 0.20 2.75 -0.21 4.92 0.08 -0.13 -2.20 117.98 123.39 1ku8 s PHE 86 Ca -0.02 -1.74 -0.07 0.00 0.12 0.00 0.00 56.93 55.22 1ku8 s PHE 86 Cb -0.05 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1ku8 s PHE 86 CO -0.00 -0.80 0.05 0.21 -0.10 0.00 0.00 175.22 174.58 1ku8 s LYS 87 N 1.29 3.76 0.41 0.44 2.20 -0.63 -0.67 119.74 126.53 1ku8 s LYS 87 Ca 0.01 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.22 1ku8 s LYS 87 Cb -0.15 -3.23 0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1ku8 s LYS 87 CO -0.10 0.03 0.32 0.25 -0.36 0.00 0.00 175.35 175.49 1ku8 n THR 88 N 4.26 0.00 1.02 3.43 -2.24 -0.02 -0.15 114.28 120.59 1ku8 n THR 88 Ca -0.16 -1.60 0.11 0.00 -2.27 0.00 0.00 64.05 60.13 1ku8 n THR 88 Cb 0.52 -0.18 0.56 0.00 -2.10 0.00 0.00 70.33 69.13 1ku8 n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ku8 n ASN 89 N -1.92 0.00 -0.03 3.42 6.94 -1.06 -3.75 115.26 118.85 1ku8 n ASN 89 Ca -0.01 0.05 -0.04 0.00 -0.02 0.00 0.00 54.58 54.56 1ku8 n ASN 89 Cb 0.46 -0.32 -0.05 0.00 -2.36 0.00 0.00 39.78 37.51 1ku8 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ku8 n LYS 90 N -1.32 2.63 -3.27 -3.83 5.02 -1.26 -5.06 118.16 111.07 1ku8 n LYS 90 Ca 0.10 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.37 1ku8 n LYS 90 Cb 0.19 -1.17 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 1ku8 n LYS 90 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ku8 n LYS 91 N -2.30 0.44 -5.11 1.97 2.85 -1.25 -5.16 118.16 109.61 1ku8 n LYS 91 Ca -0.11 -1.04 -0.32 0.00 -1.05 0.00 0.00 58.31 55.79 1ku8 n LYS 91 Cb 0.71 1.43 -0.15 0.00 -0.65 0.00 0.00 35.03 36.37 1ku8 n LYS 91 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ku8 s THR 92 N -2.17 2.44 -0.25 0.58 2.01 -1.26 -0.84 115.64 116.15 1ku8 s THR 92 Ca 0.18 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 1ku8 s THR 92 Cb -0.02 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.60 1ku8 s THR 92 CO 0.04 0.57 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.14 1ku8 s TYR 93 N -0.25 3.08 0.00 4.92 1.51 0.15 -5.00 117.35 121.77 1ku8 s TYR 93 Ca -0.00 -1.72 0.00 0.00 -1.01 0.00 0.00 57.07 54.34 1ku8 s TYR 93 Cb -0.13 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 1ku8 s TYR 93 CO 0.03 -0.77 0.00 0.41 -1.11 0.00 0.00 175.55 174.11 1ku8 n GLY 94 N 4.62 0.07 3.77 0.71 0.00 -1.26 -0.96 105.19 112.14 1ku8 n GLY 94 Ca -0.16 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.22 1ku8 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ku8 s PRO 95 N 0.00 3.42 -0.12 1.61 0.04 -1.26 -4.98 135.00 133.71 1ku8 s PRO 95 Ca 0.00 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1ku8 s PRO 95 Cb 0.00 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1ku8 s PRO 95 CO 0.00 -0.84 -0.17 0.71 0.04 0.00 0.00 177.00 176.74 1ku8 s TYR 96 N -1.59 2.72 0.00 0.56 2.02 -0.56 -4.98 117.35 115.52 1ku8 s TYR 96 Ca 0.70 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 1ku8 s TYR 96 Cb -0.29 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 1ku8 s TYR 96 CO 0.33 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.42 1ku8 n GLY 97 N 3.56 0.40 3.12 0.71 0.00 -1.26 -2.02 105.19 109.70 1ku8 n GLY 97 Ca -0.19 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1ku8 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ku8 s VAL 98 N 0.00 2.00 -1.31 1.61 1.01 -0.48 -4.65 120.40 118.58 1ku8 s VAL 98 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1ku8 s VAL 98 Cb 0.00 -1.80 0.14 0.00 0.00 0.00 0.00 36.38 34.72 1ku8 s VAL 98 CO 0.00 0.53 1.99 0.35 0.00 0.00 0.00 175.10 177.98 1ku8 n THR 99 N 4.45 4.32 -4.04 3.92 -2.24 -1.26 -3.87 114.28 115.57 1ku8 n THR 99 Ca -0.20 -4.18 -0.12 0.00 -2.27 0.00 0.00 64.05 57.28 1ku8 n THR 99 Cb 0.50 -2.37 -0.12 0.00 -2.10 0.00 0.00 70.33 66.25 1ku8 n THR 99 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ku8 s SER 100 N 1.11 0.64 0.00 3.42 0.01 -1.26 -5.08 113.70 112.53 1ku8 s SER 100 Ca 0.42 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1ku8 s SER 100 Cb 0.11 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1ku8 s SER 100 CO -0.02 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1ku8 n GLY 101 N 1.65 0.32 3.53 3.44 0.00 -1.26 -4.51 105.19 108.36 1ku8 n GLY 101 Ca -0.22 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1ku8 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ku8 s THR 102 N 0.00 4.77 0.86 2.61 2.01 -0.04 -4.92 115.64 120.94 1ku8 s THR 102 Ca 0.00 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 1ku8 s THR 102 Cb 0.00 -3.24 0.11 0.00 0.01 0.00 0.00 72.50 69.38 1ku8 s THR 102 CO 0.00 0.33 1.12 -2.16 -0.69 0.00 0.00 174.62 173.22 1ku8 s PRO 103 N 1.46 1.56 0.16 4.92 0.04 -1.26 -1.58 135.00 140.29 1ku8 s PRO 103 Ca 0.06 0.41 -0.21 0.00 0.04 0.00 0.00 61.00 61.30 1ku8 s PRO 103 Cb -0.15 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.57 1ku8 s PRO 103 CO 0.06 -1.94 0.56 -0.59 0.04 0.00 0.00 177.00 175.13 1ku8 s PHE 104 N -3.25 -0.44 -0.21 0.56 -0.12 -0.80 -4.87 117.98 108.83 1ku8 s PHE 104 Ca 0.62 0.20 -0.27 0.00 -0.05 0.00 0.00 56.93 57.43 1ku8 s PHE 104 Cb -0.14 0.50 0.10 0.00 -0.63 0.00 0.00 43.02 42.85 1ku8 s PHE 104 CO 0.53 -0.84 0.88 0.54 -0.05 0.00 0.00 175.22 176.29 1ku8 s ASN 105 N -2.77 -0.55 -0.37 1.98 6.03 -1.26 -2.02 114.94 115.98 1ku8 s ASN 105 Ca 0.02 0.90 0.01 0.00 -1.03 0.00 0.00 52.86 52.76 1ku8 s ASN 105 Cb -0.01 0.85 0.11 0.00 -3.03 0.00 0.00 41.25 39.18 1ku8 s ASN 105 CO -0.12 -0.29 0.14 -0.22 -2.03 0.00 0.00 177.10 174.58 1ku8 s LEU 106 N -0.25 3.08 0.23 3.54 2.96 0.18 -4.99 118.68 123.44 1ku8 s LEU 106 Ca -0.01 -2.14 -0.17 0.00 -0.22 0.00 0.00 54.13 51.59 1ku8 s LEU 106 Cb -0.03 -1.14 -0.08 0.00 0.50 0.00 0.00 46.19 45.44 1ku8 s LEU 106 CO 0.00 -0.35 0.69 -2.84 -1.32 0.00 0.00 176.35 172.53 1ku8 s PRO 107 N 0.96 4.13 -0.17 0.98 0.02 -1.26 -1.55 135.00 138.11 1ku8 s PRO 107 Ca 0.13 0.74 0.01 0.00 0.02 0.00 0.00 61.00 61.90 1ku8 s PRO 107 Cb -0.20 -2.78 0.02 0.00 0.02 0.00 0.00 34.50 31.56 1ku8 s PRO 107 CO -0.12 0.35 -0.19 0.42 -0.33 0.00 0.00 177.00 177.13 1ku8 s ILE 108 N -1.63 1.97 -0.02 2.83 1.01 0.35 -4.98 121.20 120.72 1ku8 s ILE 108 Ca 0.45 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1ku8 s ILE 108 Cb -0.15 -1.78 -0.25 0.00 0.01 0.00 0.00 42.46 40.29 1ku8 s ILE 108 CO 0.20 0.53 0.74 -0.33 0.00 0.00 0.00 174.94 176.07 1ku8 h GLU 109 N 7.84 0.14 -2.67 2.79 5.08 -1.98 -3.47 114.58 122.31 1ku8 h GLU 109 Ca -0.42 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 57.58 1ku8 h GLU 109 Cb 1.15 0.09 -0.27 0.00 0.50 0.00 0.00 28.75 30.22 1ku8 h GLU 109 CO 0.60 0.90 -0.30 1.21 -1.00 0.00 0.00 179.01 180.42 1ku8 s ASN 110 N -6.65 -0.50 0.00 1.42 2.47 -1.26 -5.14 114.94 105.28 1ku8 s ASN 110 Ca -0.09 0.87 0.00 0.00 0.42 0.00 0.00 52.86 54.06 1ku8 s ASN 110 Cb 0.07 0.75 0.00 0.00 -1.45 0.00 0.00 41.25 40.63 1ku8 s ASN 110 CO 0.82 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 174.63 1ku8 n GLY 111 N 4.16 0.88 3.05 1.21 0.00 -1.26 -4.99 105.19 108.24 1ku8 n GLY 111 Ca -0.23 -2.32 -0.09 0.00 0.00 0.00 0.00 46.02 43.38 1ku8 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ku8 s LEU 112 N 0.00 2.04 -0.13 0.99 1.43 0.44 -4.97 118.68 118.48 1ku8 s LEU 112 Ca 0.00 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 1ku8 s LEU 112 Cb 0.00 0.35 -0.03 0.00 0.03 0.00 0.00 46.19 46.54 1ku8 s LEU 112 CO 0.00 -0.40 0.72 -0.63 0.23 0.00 0.00 176.35 176.26 1ku8 s ILE 113 N -2.05 5.00 0.00 -0.59 1.01 -1.26 -1.20 121.20 122.10 1ku8 s ILE 113 Ca -0.10 1.43 0.00 0.00 0.00 0.00 0.00 60.65 61.98 1ku8 s ILE 113 Cb -0.05 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1ku8 s ILE 113 CO -0.03 0.15 0.84 1.33 0.00 0.00 0.00 174.94 177.24 1ku8 n VAL 114 N 4.27 0.69 -3.64 2.92 0.24 -0.10 -4.54 118.33 118.18 1ku8 n VAL 114 Ca 0.00 -0.70 -0.02 0.00 -2.04 0.00 0.00 64.34 61.58 1ku8 n VAL 114 Cb 0.50 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 1ku8 n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ku8 s GLY 115 N -0.69 -0.05 0.05 7.63 0.00 -1.24 -0.61 107.32 112.41 1ku8 s GLY 115 Ca 0.00 2.38 0.05 0.00 0.00 0.00 0.00 44.72 47.15 1ku8 s GLY 115 CO 0.00 0.88 -0.13 -1.36 0.00 0.00 0.00 173.10 172.49 1ku8 s PHE 116 N -1.53 1.13 0.13 1.90 0.08 -1.25 -1.06 117.98 117.39 1ku8 s PHE 116 Ca 0.10 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.67 1ku8 s PHE 116 Cb -0.01 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1ku8 s PHE 116 CO -0.05 0.03 0.22 -1.59 -0.10 0.00 0.00 175.22 173.73 1ku8 s LYS 117 N -1.40 1.02 0.00 0.44 -2.85 -0.84 -1.46 119.74 114.66 1ku8 s LYS 117 Ca -0.01 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 53.82 1ku8 s LYS 117 Cb -0.09 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1ku8 s LYS 117 CO 0.02 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1ku8 n GLY 118 N -0.15 -0.59 3.44 0.59 0.00 0.16 -0.28 105.19 108.36 1ku8 n GLY 118 Ca -0.10 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1ku8 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ku8 s SER 119 N -4.00 -0.57 -0.08 1.61 0.15 -0.80 -0.58 113.70 109.43 1ku8 s SER 119 Ca 0.00 1.09 0.01 0.00 0.70 0.00 0.00 55.95 57.74 1ku8 s SER 119 Cb 0.00 1.10 0.02 0.00 -1.71 0.00 0.00 66.02 65.43 1ku8 s SER 119 CO 0.00 -0.19 -0.08 -0.63 1.20 0.00 0.00 173.24 173.55 1ku8 s ILE 120 N 0.33 0.90 0.00 6.45 1.01 0.08 -0.35 121.20 129.62 1ku8 s ILE 120 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1ku8 s ILE 120 Cb -0.04 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.54 1ku8 s ILE 120 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1ku8 n GLY 121 N 4.42 1.44 0.28 6.18 0.00 -1.26 -1.28 105.19 114.97 1ku8 n GLY 121 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1ku8 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ku8 h TYR 122 N 0.00 0.81 -4.25 1.61 -1.99 -1.93 0.62 116.97 111.83 1ku8 h TYR 122 Ca 0.00 -0.12 -0.30 0.00 2.00 0.00 0.00 58.73 60.31 1ku8 h TYR 122 Cb 0.00 -0.22 -0.15 0.00 2.00 0.00 0.00 36.73 38.36 1ku8 h TYR 122 CO 0.00 0.77 -0.61 -1.58 -0.00 0.00 0.00 178.16 176.74 1ku8 s TRP 123 N -4.92 1.34 -0.20 4.88 0.51 -1.26 -4.33 118.94 114.95 1ku8 s TRP 123 Ca -0.09 -1.31 -0.29 0.00 -2.12 0.00 0.00 56.10 52.29 1ku8 s TRP 123 Cb 0.14 -0.71 -0.04 0.00 -0.81 0.00 0.00 33.47 32.05 1ku8 s TRP 123 CO 0.81 -0.52 1.91 -1.17 -0.51 0.00 0.00 176.95 177.47 1ku8 s LEU 124 N -3.24 3.74 0.01 2.99 2.96 -0.61 -4.51 118.68 120.03 1ku8 s LEU 124 Ca 0.38 1.80 -0.20 0.00 -0.22 0.00 0.00 54.13 55.90 1ku8 s LEU 124 Cb 0.07 -3.52 -0.22 0.00 0.50 0.00 0.00 46.19 43.02 1ku8 s LEU 124 CO 0.13 -1.56 1.14 0.44 -1.32 0.00 0.00 176.35 175.18 1ku8 h ASP 125 N 12.63 0.52 -5.29 3.68 3.32 -1.01 0.95 116.42 131.22 1ku8 h ASP 125 Ca -0.39 -0.72 0.18 0.00 0.02 0.00 0.00 57.03 56.13 1ku8 h ASP 125 Cb 1.20 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 40.50 1ku8 h ASP 125 CO 0.98 1.16 0.50 -0.72 -1.72 0.00 0.00 179.24 179.44 1ku8 s TYR 126 N -3.38 -0.14 0.13 4.55 -0.85 -1.22 -4.14 117.35 112.30 1ku8 s TYR 126 Ca -0.13 -0.14 -0.23 0.00 -0.52 0.00 0.00 57.07 56.04 1ku8 s TYR 126 Cb 0.04 0.63 0.07 0.00 0.38 0.00 0.00 41.96 43.07 1ku8 s TYR 126 CO 0.81 -0.79 0.59 -0.59 -1.52 0.00 0.00 175.55 174.05 1ku8 s PHE 127 N -3.24 -0.52 0.15 -3.49 -0.71 -1.26 -1.90 117.98 107.00 1ku8 s PHE 127 Ca 0.12 0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.40 1ku8 s PHE 127 Cb -0.01 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1ku8 s PHE 127 CO 0.01 -0.81 -0.03 -1.12 -1.34 0.00 0.00 175.22 171.94 1ku8 s SER 128 N -2.57 1.26 0.02 1.98 0.01 0.61 -4.94 113.70 110.07 1ku8 s SER 128 Ca -0.00 -1.11 0.05 0.00 1.31 0.00 0.00 55.95 56.20 1ku8 s SER 128 Cb -0.01 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 1ku8 s SER 128 CO -0.10 -0.51 -0.16 -0.04 0.41 0.00 0.00 173.24 172.84 1ku8 s MET 129 N -3.87 1.13 -0.06 12.44 -1.94 -1.26 -1.99 119.30 123.75 1ku8 s MET 129 Ca 0.19 -0.70 -0.19 0.00 -1.71 0.00 0.00 55.69 53.29 1ku8 s MET 129 Cb 0.05 -1.14 -0.05 0.00 2.01 0.00 0.00 34.83 35.71 1ku8 s MET 129 CO 0.01 0.30 0.53 0.71 -0.01 0.00 0.00 175.02 176.56 1ku8 s TYR 130 N -0.63 3.61 0.05 -0.03 1.51 -0.22 -4.98 117.35 116.66 1ku8 s TYR 130 Ca 0.04 1.05 0.09 0.00 -1.01 0.00 0.00 57.07 57.24 1ku8 s TYR 130 Cb -0.07 -2.56 -0.03 0.00 -0.11 0.00 0.00 41.96 39.19 1ku8 s TYR 130 CO 0.01 0.29 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.97 1ku8 s LEU 131 N 0.13 2.24 0.16 -1.29 1.43 -1.26 -0.92 118.68 119.17 1ku8 s LEU 131 Ca 0.28 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 1ku8 s LEU 131 Cb -0.17 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.79 1ku8 s LEU 131 CO 0.14 0.25 0.51 -0.55 0.23 0.00 0.00 176.35 176.93 1ku8 s SER 132 N -1.34 -0.38 0.00 2.29 0.15 -0.34 -4.93 113.70 109.15 1ku8 s SER 132 Ca 0.12 -0.22 0.31 0.00 0.70 0.00 0.00 55.95 56.86 1ku8 s SER 132 Cb -0.10 0.55 1.61 0.00 -1.71 0.00 0.00 66.02 66.38 1ku8 s SER 132 CO 0.03 -0.95 2.06 0.18 1.20 0.00 0.00 173.24 175.76