#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk8 s LYS 3 N 0.00 2.95 0.29 0.54 1.02 -1.26 -4.65 119.74 118.64 1vk8 s LYS 3 Ca 0.00 -1.12 0.07 0.00 0.02 0.00 0.00 55.97 54.95 1vk8 s LYS 3 Cb 0.00 -2.64 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 1vk8 s LYS 3 CO 0.00 0.16 -0.06 0.14 -0.92 0.00 0.00 175.35 174.67 1vk8 s VAL 4 N -2.21 1.76 -0.03 3.17 -7.23 -0.54 -0.41 120.40 114.93 1vk8 s VAL 4 Ca 0.40 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1vk8 s VAL 4 Cb -0.08 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1vk8 s VAL 4 CO 0.28 -0.27 0.02 0.42 -0.31 0.00 0.00 175.10 175.23 1vk8 s THR 5 N -2.93 4.32 -0.11 5.32 -4.23 -1.19 -1.98 115.64 114.83 1vk8 s THR 5 Ca 0.30 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1vk8 s THR 5 Cb 0.04 -2.90 0.03 0.00 1.34 0.00 0.00 72.50 71.00 1vk8 s THR 5 CO 0.13 0.44 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.93 1vk8 s VAL 6 N -1.05 0.70 -0.15 2.29 1.01 -0.11 -0.91 120.40 122.18 1vk8 s VAL 6 Ca 0.18 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 1vk8 s VAL 6 Cb -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1vk8 s VAL 6 CO 0.09 0.22 0.35 -0.44 0.00 0.00 0.00 175.10 175.32 1vk8 s SER 7 N 1.83 6.52 -0.12 3.32 0.01 0.10 -0.79 113.70 124.57 1vk8 s SER 7 Ca 0.04 0.61 0.02 0.00 1.31 0.00 0.00 55.95 57.93 1vk8 s SER 7 Cb -0.13 -2.22 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 1vk8 s SER 7 CO -0.07 0.07 -0.19 -0.63 0.41 0.00 0.00 173.24 172.82 1vk8 s ILE 8 N 0.52 2.45 -0.09 1.44 1.01 0.10 -1.06 121.20 125.59 1vk8 s ILE 8 Ca 0.20 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1vk8 s ILE 8 Cb -0.14 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.36 1vk8 s ILE 8 CO 0.06 0.54 -0.15 -0.75 0.00 0.00 0.00 174.94 174.64 1vk8 s LYS 9 N 0.40 2.14 -0.14 2.79 2.20 -0.52 -0.94 119.74 125.66 1vk8 s LYS 9 Ca -0.15 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1vk8 s LYS 9 Cb -0.17 -1.74 -0.02 0.00 -1.51 0.00 0.00 37.83 34.39 1vk8 s LYS 9 CO 0.07 0.02 -0.11 0.08 -0.36 0.00 0.00 175.35 175.05 1vk8 s VAL 10 N 0.72 3.22 -0.39 4.02 1.01 -1.26 -1.00 120.40 126.71 1vk8 s VAL 10 Ca -0.13 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1vk8 s VAL 10 Cb -0.16 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 33.97 1vk8 s VAL 10 CO 0.03 0.51 0.17 -0.69 0.00 0.00 0.00 175.10 175.12 1vk8 s VAL 11 N 0.43 1.53 0.44 2.92 1.01 -0.16 -4.95 120.40 121.62 1vk8 s VAL 11 Ca -0.08 -2.27 -0.21 0.00 0.00 0.00 0.00 61.98 59.41 1vk8 s VAL 11 Cb -0.15 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 1vk8 s VAL 11 CO 0.04 -0.77 0.98 -2.16 0.00 0.00 0.00 175.10 173.19 1vk8 s PRO 12 N 0.74 4.13 -1.06 2.72 0.04 -1.26 -0.93 135.00 139.38 1vk8 s PRO 12 Ca 0.14 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 1vk8 s PRO 12 Cb -0.22 -2.23 0.17 0.00 0.04 0.00 0.00 34.50 32.26 1vk8 s PRO 12 CO -0.08 -0.13 1.23 0.00 0.04 0.00 0.00 177.00 178.06 1vk8 s ALA 13 N -2.04 3.82 0.06 8.56 0.00 -0.11 -4.91 121.76 127.14 1vk8 s ALA 13 Ca 0.62 -3.17 -0.08 0.00 0.00 0.00 0.00 51.96 49.33 1vk8 s ALA 13 Cb -0.13 -4.00 -0.00 0.00 0.00 0.00 0.00 23.12 18.99 1vk8 s ALA 13 CO 0.17 -2.77 0.18 0.14 0.00 0.00 0.00 175.76 173.48 1vk8 s VAL 14 N 1.66 0.13 0.44 0.00 -7.23 -1.26 -4.74 120.40 109.40 1vk8 s VAL 14 Ca 0.36 -1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 59.21 1vk8 s VAL 14 Cb -0.05 -1.12 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 1vk8 s VAL 14 CO -0.05 -0.59 1.31 -1.84 -0.31 0.00 0.00 175.10 173.62 1vk8 n GLU 15 N 0.34 1.97 -0.32 4.82 0.28 -1.26 -4.75 120.64 121.72 1vk8 n GLU 15 Ca -0.17 0.70 0.29 0.00 -0.16 0.00 0.00 57.16 57.83 1vk8 n GLU 15 Cb 0.60 -2.45 0.55 0.00 1.43 0.00 0.00 31.44 31.58 1vk8 n GLU 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1vk8 h ASP 16 N 2.06 0.32 -0.29 -1.84 3.58 -2.01 -0.09 116.42 118.15 1vk8 h ASP 16 Ca -0.49 0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.29 1vk8 h ASP 16 Cb 1.29 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.58 1vk8 h ASP 16 CO 0.60 -0.37 0.22 1.23 -2.88 0.00 0.00 179.24 178.03 1vk8 h GLY 17 N 0.07 0.00 -1.69 -0.78 0.00 -2.05 -2.45 103.07 96.17 1vk8 h GLY 17 Ca 0.81 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.14 1vk8 h GLY 17 CO -0.74 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.34 1vk8 n ARG 18 N -4.36 1.92 -0.29 4.80 1.74 -0.05 -4.55 116.66 115.87 1vk8 n ARG 18 Ca 0.04 -1.76 0.06 0.00 -0.77 0.00 0.00 57.85 55.42 1vk8 n ARG 18 Cb 0.38 -1.40 0.21 0.00 -1.02 0.00 0.00 32.46 30.62 1vk8 n ARG 18 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1vk8 h LEU 19 N 4.11 0.51 -0.33 0.55 4.07 -1.42 -3.00 115.31 119.80 1vk8 h LEU 19 Ca 0.00 0.09 -0.20 0.00 0.08 0.00 0.00 57.88 57.85 1vk8 h LEU 19 Cb 0.87 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.61 1vk8 h LEU 19 CO 0.00 0.23 -0.80 0.45 -1.08 0.00 0.00 178.44 177.25 1vk8 h HIS 20 N 0.62 0.55 0.02 1.13 3.86 -1.80 -2.60 115.15 116.94 1vk8 h HIS 20 Ca 0.44 -0.26 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1vk8 h HIS 20 Cb 0.59 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1vk8 h HIS 20 CO -0.10 1.04 -0.01 1.49 0.86 0.00 0.00 177.93 181.21 1vk8 h GLU 21 N 0.26 -0.03 -0.63 2.45 4.81 -1.84 0.03 114.58 119.62 1vk8 h GLU 21 Ca -0.04 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1vk8 h GLU 21 Cb 1.39 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.74 1vk8 h GLU 21 CO 0.14 0.13 0.40 0.28 -0.73 0.00 0.00 179.01 179.22 1vk8 h VAL 22 N -0.18 1.11 -0.56 0.32 2.07 -1.54 -2.46 116.25 115.01 1vk8 h VAL 22 Ca -0.00 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1vk8 h VAL 22 Cb 0.17 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1vk8 h VAL 22 CO 0.01 0.15 0.14 0.40 0.02 0.00 0.00 177.57 178.28 1vk8 h ILE 23 N 0.81 1.25 -0.73 4.57 1.08 -1.27 -2.07 117.51 121.15 1vk8 h ILE 23 Ca 0.25 -0.87 0.15 0.00 -0.39 0.00 0.00 64.86 64.00 1vk8 h ILE 23 Cb -0.03 0.74 -0.10 0.00 -3.07 0.00 0.00 36.82 34.36 1vk8 h ILE 23 CO -0.08 0.32 0.20 0.44 -0.69 0.00 0.00 178.15 178.34 1vk8 h ASP 24 N 0.80 0.07 -0.29 1.72 3.32 -0.83 -0.70 116.42 120.50 1vk8 h ASP 24 Ca 0.18 0.13 -0.15 0.00 0.02 0.00 0.00 57.03 57.21 1vk8 h ASP 24 Cb 0.33 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1vk8 h ASP 24 CO 0.00 -0.00 -0.38 0.03 -1.72 0.00 0.00 179.24 177.16 1vk8 h ARG 25 N 0.30 0.84 -0.17 3.56 2.47 -1.00 -0.84 114.38 119.56 1vk8 h ARG 25 Ca 0.40 -0.44 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1vk8 h ARG 25 Cb 0.67 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1vk8 h ARG 25 CO -0.48 1.08 0.07 0.00 0.56 0.00 0.00 179.97 181.20 1vk8 h ALA 26 N 0.87 0.22 -0.44 0.04 0.00 -0.98 -0.63 119.26 118.33 1vk8 h ALA 26 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1vk8 h ALA 26 Cb 0.96 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1vk8 h ALA 26 CO 0.09 -0.20 0.15 0.82 0.00 0.00 0.00 179.25 180.11 1vk8 h ILE 27 N 0.13 1.22 -0.33 0.00 2.04 -1.05 -0.53 117.51 118.98 1vk8 h ILE 27 Ca 0.06 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1vk8 h ILE 27 Cb 0.15 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1vk8 h ILE 27 CO -0.01 0.26 0.01 -0.08 0.00 0.00 0.00 178.15 178.33 1vk8 h GLU 28 N 0.58 0.11 -0.25 2.37 4.81 -1.10 -1.23 114.58 119.86 1vk8 h GLU 28 Ca 0.14 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1vk8 h GLU 28 Cb 0.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1vk8 h GLU 28 CO -0.01 0.07 0.15 -0.22 -0.73 0.00 0.00 179.01 178.27 1vk8 h LYS 29 N 0.11 0.34 -0.87 1.92 1.63 -0.84 -2.71 116.57 116.15 1vk8 h LYS 29 Ca 0.16 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.99 1vk8 h LYS 29 Cb 0.21 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.72 1vk8 h LYS 29 CO -0.26 0.28 0.57 0.82 -3.45 0.00 0.00 179.45 177.41 1vk8 h ILE 30 N 0.31 1.05 0.00 2.00 2.04 -0.80 -1.32 117.51 120.79 1vk8 h ILE 30 Ca 0.09 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1vk8 h ILE 30 Cb 0.03 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1vk8 h ILE 30 CO -0.02 0.18 -0.04 0.77 0.00 0.00 0.00 178.15 179.04 1vk8 h SER 31 N 0.96 0.00 0.78 1.72 4.64 -0.92 -2.60 113.55 118.14 1vk8 h SER 31 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1vk8 h SER 31 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1vk8 h SER 31 CO -0.14 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 174.32 1vk8 n SER 32 N -3.25 0.00 0.23 4.97 3.41 -0.50 -3.97 113.62 114.52 1vk8 n SER 32 Ca -0.01 0.43 0.14 0.00 -0.26 0.00 0.00 58.87 59.16 1vk8 n SER 32 Cb 0.23 -0.47 0.33 0.00 -0.26 0.00 0.00 64.21 64.03 1vk8 n SER 32 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1vk8 h TRP 33 N 0.00 0.00 -2.19 7.33 6.55 -1.54 -3.52 115.95 122.58 1vk8 h TRP 33 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1vk8 h TRP 33 Cb 0.39 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.69 1vk8 h TRP 33 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 1vk8 n GLY 34 N 0.79 0.60 3.78 1.49 0.00 -1.25 -5.19 105.19 105.41 1vk8 n GLY 34 Ca 0.03 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1vk8 n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vk8 s LYS 36 N -2.73 4.05 0.09 1.61 2.20 -1.25 -5.17 119.74 118.53 1vk8 s LYS 36 Ca 0.00 0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 55.64 1vk8 s LYS 36 Cb 0.00 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1vk8 s LYS 36 CO 0.00 0.43 0.24 1.52 -0.36 0.00 0.00 175.35 177.18 1vk8 s TYR 37 N -0.13 0.06 -0.04 4.03 1.13 -1.26 -1.40 117.35 119.74 1vk8 s TYR 37 Ca 0.18 -0.43 -0.02 0.00 -1.41 0.00 0.00 57.07 55.40 1vk8 s TYR 37 Cb -0.14 0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.77 1vk8 s TYR 37 CO 0.06 -0.56 0.07 -2.00 -2.51 0.00 0.00 175.55 170.61 1vk8 s GLU 38 N -3.64 -0.04 -0.15 -3.49 2.12 0.11 -4.99 118.70 108.63 1vk8 s GLU 38 Ca 0.03 0.34 -0.23 0.00 0.36 0.00 0.00 54.97 55.46 1vk8 s GLU 38 Cb 0.03 -0.36 -0.02 0.00 0.26 0.00 0.00 34.13 34.04 1vk8 s GLU 38 CO -0.10 -0.26 0.73 0.08 -0.54 0.00 0.00 175.26 175.17 1vk8 s VAL 39 N 1.72 4.97 0.47 3.70 1.01 -1.26 -0.58 120.40 130.44 1vk8 s VAL 39 Ca -0.01 1.43 0.06 0.00 0.00 0.00 0.00 61.98 63.46 1vk8 s VAL 39 Cb -0.12 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 1vk8 s VAL 39 CO -0.04 0.11 0.32 -0.83 0.00 0.00 0.00 175.10 174.67 1vk8 s GLY 40 N 1.08 2.33 0.54 4.51 0.00 0.91 -4.99 107.32 111.69 1vk8 s GLY 40 Ca 0.35 -1.63 0.20 0.00 0.00 0.00 0.00 44.72 43.64 1vk8 s GLY 40 CO 0.13 -1.88 2.18 -0.56 0.00 0.00 0.00 173.10 172.97 1vk8 h PRO 41 N 1.03 0.00 0.00 2.90 0.13 -2.04 -3.28 132.00 130.75 1vk8 h PRO 41 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1vk8 h PRO 41 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1vk8 h PRO 41 CO 0.61 0.00 -0.86 -1.13 -0.23 0.00 0.00 178.00 176.40 1vk8 n SER 42 N -4.33 1.98 -3.74 1.44 3.41 -1.26 -5.07 113.62 106.04 1vk8 n SER 42 Ca -0.03 -0.31 -0.03 0.00 -0.26 0.00 0.00 58.87 58.25 1vk8 n SER 42 Cb 0.10 1.17 -0.01 0.00 -0.26 0.00 0.00 64.21 65.21 1vk8 n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vk8 s ASN 43 N -2.26 -0.17 -0.13 4.04 2.20 -1.24 -4.70 114.94 112.68 1vk8 s ASN 43 Ca -0.00 -0.38 0.02 0.00 -0.94 0.00 0.00 52.86 51.56 1vk8 s ASN 43 Cb 0.05 0.46 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 1vk8 s ASN 43 CO 0.28 -0.85 -0.21 -0.89 -2.94 0.00 0.00 177.10 172.50 1vk8 s THR 44 N -3.21 2.27 -0.20 0.54 2.01 -0.12 -0.07 115.64 116.86 1vk8 s THR 44 Ca 0.12 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 1vk8 s THR 44 Cb -0.01 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1vk8 s THR 44 CO 0.02 0.54 0.10 -0.89 -0.69 0.00 0.00 174.62 173.70 1vk8 s THR 45 N 0.62 5.01 0.06 -0.82 2.01 0.25 0.02 115.64 122.80 1vk8 s THR 45 Ca -0.11 0.05 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1vk8 s THR 45 Cb -0.16 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1vk8 s THR 45 CO 0.03 0.42 0.03 0.68 -0.69 0.00 0.00 174.62 175.09 1vk8 s VAL 46 N 0.63 4.26 -0.13 3.82 -7.23 0.03 -0.71 120.40 121.08 1vk8 s VAL 46 Ca 0.05 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1vk8 s VAL 46 Cb -0.13 -3.01 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 1vk8 s VAL 46 CO 0.01 0.18 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.14 1vk8 s GLU 47 N -2.17 3.32 0.00 4.82 2.12 -0.49 -0.94 118.70 125.36 1vk8 s GLU 47 Ca 0.26 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1vk8 s GLU 47 Cb -0.12 -2.60 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1vk8 s GLU 47 CO 0.18 0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.48 1vk8 n GLY 48 N 3.62 -0.92 3.73 -1.50 0.00 -0.84 -3.97 105.19 105.32 1vk8 n GLY 48 Ca -0.18 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1vk8 n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vk8 s GLU 49 N -0.79 4.57 0.09 1.61 -6.30 -1.26 -1.46 118.70 115.15 1vk8 s GLU 49 Ca 0.00 1.72 -0.25 0.00 -2.50 0.00 0.00 54.97 53.94 1vk8 s GLU 49 Cb 0.00 -3.29 -0.15 0.00 0.00 0.00 0.00 34.13 30.69 1vk8 s GLU 49 CO 0.00 0.02 1.71 0.35 0.02 0.00 0.00 175.26 177.36 1vk8 h PHE 50 N 5.39 -0.22 -0.32 5.30 3.57 -1.92 -1.67 116.94 127.07 1vk8 h PHE 50 Ca -0.44 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 1vk8 h PHE 50 Cb 1.21 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1vk8 h PHE 50 CO 0.63 -0.13 -0.15 0.93 -2.23 0.00 0.00 178.31 177.36 1vk8 h GLU 51 N -0.22 0.57 -0.61 1.11 5.08 -1.99 -2.57 114.58 115.96 1vk8 h GLU 51 Ca -0.02 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1vk8 h GLU 51 Cb 0.18 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1vk8 h GLU 51 CO 0.02 0.71 0.16 1.49 -1.00 0.00 0.00 179.01 180.38 1vk8 h GLU 52 N 0.52 0.97 -1.58 2.33 4.81 -1.92 -1.13 114.58 118.59 1vk8 h GLU 52 Ca 0.09 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1vk8 h GLU 52 Cb 0.56 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1vk8 h GLU 52 CO 0.04 0.88 0.00 -0.89 -0.73 0.00 0.00 179.01 178.31 1vk8 n ILE 53 N -4.35 0.06 0.00 2.32 5.41 -0.64 -1.11 119.36 121.04 1vk8 n ILE 53 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1vk8 n ILE 53 Cb 0.24 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 1vk8 n ILE 53 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1vk8 n ASP 55 N 0.87 0.00 0.07 4.38 8.00 -0.43 -0.69 116.55 128.76 1vk8 n ASP 55 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1vk8 n ASP 55 Cb 0.03 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.41 1vk8 n ASP 55 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1vk8 h ARG 56 N 0.00 0.33 -0.55 -1.24 2.47 -1.39 -2.79 114.38 111.21 1vk8 h ARG 56 Ca 0.00 -0.11 -0.11 0.00 -1.26 0.00 0.00 59.98 58.50 1vk8 h ARG 56 Cb 0.00 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 1vk8 h ARG 56 CO 0.00 0.55 -0.08 0.28 0.56 0.00 0.00 179.97 181.28 1vk8 h VAL 57 N 0.30 1.27 -0.36 2.04 2.07 -1.17 -0.34 116.25 120.06 1vk8 h VAL 57 Ca 0.05 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.40 1vk8 h VAL 57 Cb 0.59 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1vk8 h VAL 57 CO 0.04 0.44 -0.04 0.11 0.02 0.00 0.00 177.57 178.14 1vk8 h LYS 58 N 0.90 0.06 -0.57 1.57 1.57 -1.77 -1.84 116.57 116.49 1vk8 h LYS 58 Ca 0.15 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1vk8 h LYS 58 Cb 0.64 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1vk8 h LYS 58 CO 0.04 0.04 0.26 0.93 -0.57 0.00 0.00 179.45 180.15 1vk8 h GLU 59 N 0.06 0.83 -0.24 3.15 5.08 -1.26 -2.81 114.58 119.37 1vk8 h GLU 59 Ca 0.17 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1vk8 h GLU 59 Cb 0.25 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1vk8 h GLU 59 CO -0.32 0.68 0.00 1.25 -1.00 0.00 0.00 179.01 179.62 1vk8 h LEU 60 N 0.77 -0.09 -0.59 1.33 5.85 -0.72 -0.75 115.31 121.11 1vk8 h LEU 60 Ca 0.19 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1vk8 h LEU 60 Cb 0.14 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1vk8 h LEU 60 CO -0.02 -0.01 0.36 0.00 -0.34 0.00 0.00 178.44 178.43 1vk8 h ALA 61 N 1.21 0.75 -0.67 1.25 0.00 -1.24 -0.15 119.26 120.40 1vk8 h ALA 61 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vk8 h ALA 61 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1vk8 h ALA 61 CO -0.19 0.22 0.29 0.00 0.00 0.00 0.00 179.25 179.57 1vk8 h ARG 62 N 0.79 0.99 -0.48 0.00 2.47 -1.37 -2.84 114.38 113.95 1vk8 h ARG 62 Ca 0.21 -0.16 0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1vk8 h ARG 62 Cb -0.04 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 1vk8 h ARG 62 CO -0.04 0.81 0.31 -0.92 0.56 0.00 0.00 179.97 180.69 1vk8 h TYR 63 N 0.94 0.59 0.00 3.04 3.20 -0.65 -2.93 116.97 121.16 1vk8 h TYR 63 Ca 0.23 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1vk8 h TYR 63 Cb 0.17 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1vk8 h TYR 63 CO 0.01 0.37 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.74 1vk8 h LEU 64 N 0.64 0.00 -2.13 2.82 3.38 -0.85 -3.10 115.31 116.07 1vk8 h LEU 64 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1vk8 h LEU 64 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1vk8 h LEU 64 CO -0.04 0.09 -0.00 -0.08 0.09 0.00 0.00 178.44 178.49 1vk8 h GLU 65 N 0.00 0.00 0.00 1.13 4.81 -1.31 0.11 114.58 119.33 1vk8 h GLU 65 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vk8 h GLU 65 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1vk8 h GLU 65 CO 0.01 0.00 0.00 -0.56 -0.73 0.00 0.00 179.01 177.74 1vk8 h GLN 66 N 0.00 0.00 0.00 1.92 3.07 -1.71 -3.25 115.11 115.14 1vk8 h GLN 66 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.49 1vk8 h GLN 66 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.52 1vk8 h GLN 66 CO 0.00 0.00 -2.04 1.19 0.09 0.00 0.00 178.83 178.07 1vk8 n PHE 67 N -2.36 0.00 -3.68 0.06 3.72 -0.08 -4.97 117.46 110.16 1vk8 n PHE 67 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 1vk8 n PHE 67 Cb 0.28 -0.73 -0.12 0.00 -0.94 0.00 0.00 39.48 37.98 1vk8 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vk8 s ALA 68 N -2.46 -0.81 -0.14 4.37 0.00 -0.54 -4.95 121.76 117.23 1vk8 s ALA 68 Ca -0.08 1.21 0.29 0.00 0.00 0.00 0.00 51.96 53.39 1vk8 s ALA 68 Cb 0.05 -1.02 0.96 0.00 0.00 0.00 0.00 23.12 23.12 1vk8 s ALA 68 CO 0.64 -0.53 1.83 0.87 0.00 0.00 0.00 175.76 178.58 1vk8 h LYS 69 N 7.86 0.00 -3.58 0.00 1.79 -1.85 -3.36 116.57 117.43 1vk8 h LYS 69 Ca -0.23 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.87 1vk8 h LYS 69 Cb 1.13 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.42 1vk8 h LYS 69 CO 0.20 0.00 -0.75 0.50 -1.08 0.00 0.00 179.45 178.32 1vk8 s ARG 70 N -3.47 0.22 0.04 3.15 6.06 -1.26 -5.04 118.95 118.65 1vk8 s ARG 70 Ca 0.04 0.18 -0.20 0.00 -2.50 0.00 0.00 55.73 53.24 1vk8 s ARG 70 Cb 0.08 -0.57 0.04 0.00 0.06 0.00 0.00 34.95 34.56 1vk8 s ARG 70 CO 0.59 -0.23 0.46 -0.59 -2.50 0.00 0.00 175.30 173.03 1vk8 s PHE 71 N 1.55 -0.35 -0.08 5.12 -0.71 -1.26 -0.93 117.98 121.32 1vk8 s PHE 71 Ca -0.02 0.37 -0.19 0.00 -1.04 0.00 0.00 56.93 56.05 1vk8 s PHE 71 Cb -0.13 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 1vk8 s PHE 71 CO -0.03 -0.59 0.51 0.08 -1.34 0.00 0.00 175.22 173.85 1vk8 s VAL 72 N -2.35 5.12 -0.14 -2.49 1.01 -0.11 -4.95 120.40 116.49 1vk8 s VAL 72 Ca -0.06 1.04 0.01 0.00 0.00 0.00 0.00 61.98 62.97 1vk8 s VAL 72 Cb -0.01 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1vk8 s VAL 72 CO -0.01 0.36 -0.17 -0.22 0.00 0.00 0.00 175.10 175.06 1vk8 s LEU 73 N 0.36 1.85 -0.08 3.92 2.96 -1.26 -0.99 118.68 125.44 1vk8 s LEU 73 Ca 0.28 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1vk8 s LEU 73 Cb -0.16 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.27 1vk8 s LEU 73 CO 0.12 -0.00 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.83 1vk8 s GLN 74 N 1.21 2.62 -0.12 1.98 -0.21 -0.17 -4.99 119.66 119.99 1vk8 s GLN 74 Ca 0.00 -0.77 0.01 0.00 0.02 0.00 0.00 55.36 54.62 1vk8 s GLN 74 Cb -0.14 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.81 1vk8 s GLN 74 CO -0.07 0.19 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.60 1vk8 s LEU 75 N 0.30 2.48 -0.30 2.90 1.43 -1.26 -1.44 118.68 122.79 1vk8 s LEU 75 Ca -0.15 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1vk8 s LEU 75 Cb -0.16 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.59 1vk8 s LEU 75 CO 0.07 0.17 -0.02 -0.62 0.23 0.00 0.00 176.35 176.17 1vk8 s ASP 76 N 0.32 4.69 -0.20 2.29 2.15 -0.22 -4.96 116.67 120.75 1vk8 s ASP 76 Ca -0.14 -1.60 -0.07 0.00 0.43 0.00 0.00 52.55 51.18 1vk8 s ASP 76 Cb -0.17 -1.63 -0.03 0.00 -0.30 0.00 0.00 42.92 40.79 1vk8 s ASP 76 CO 0.07 -0.28 0.04 -0.63 -0.17 0.00 0.00 175.17 174.20 1vk8 s ILE 77 N 1.09 4.46 -0.44 4.11 1.01 -1.26 -0.73 121.20 129.45 1vk8 s ILE 77 Ca -0.02 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 1vk8 s ILE 77 Cb -0.20 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.29 1vk8 s ILE 77 CO -0.05 0.43 0.38 -0.62 0.00 0.00 0.00 174.94 175.08 1vk8 s ASP 78 N 0.72 6.15 -0.27 3.58 -1.08 -0.09 -5.01 116.67 120.66 1vk8 s ASP 78 Ca 0.02 -0.98 -0.06 0.00 -0.52 0.00 0.00 52.55 51.01 1vk8 s ASP 78 Cb -0.14 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 1vk8 s ASP 78 CO 0.02 -0.56 0.05 -0.47 0.52 0.00 0.00 175.17 174.73 1vk8 s TYR 79 N 1.82 3.10 -0.08 -5.34 6.14 -1.26 -3.20 117.35 118.53 1vk8 s TYR 79 Ca 0.07 -0.90 0.02 0.00 0.64 0.00 0.00 57.07 56.90 1vk8 s TYR 79 Cb -0.20 -2.22 0.02 0.00 0.42 0.00 0.00 41.96 39.98 1vk8 s TYR 79 CO 0.10 -0.54 -0.11 0.21 0.64 0.00 0.00 175.55 175.85 1vk8 s LYS 80 N 1.51 1.68 0.14 4.97 2.20 -1.26 -5.07 119.74 123.92 1vk8 s LYS 80 Ca 0.04 -0.39 -0.32 0.00 -0.36 0.00 0.00 55.97 54.94 1vk8 s LYS 80 Cb -0.16 -1.46 -0.12 0.00 -1.51 0.00 0.00 37.83 34.58 1vk8 s LYS 80 CO 0.01 -0.04 1.76 0.00 -0.36 0.00 0.00 175.35 176.73 1vk8 n ALA 81 N 4.06 2.17 0.00 3.13 0.00 -1.26 -0.75 120.51 127.85 1vk8 n ALA 81 Ca -0.21 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1vk8 n ALA 81 Cb 0.51 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1vk8 n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vk8 n GLY 82 N 4.02 0.97 0.00 0.00 0.00 -1.26 -4.94 105.19 103.98 1vk8 n GLY 82 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1vk8 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vk8 n GLY 83 N -2.00 2.48 3.13 -0.02 0.00 0.07 -4.66 105.19 104.19 1vk8 n GLY 83 Ca 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1vk8 n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vk8 s ILE 84 N -2.40 0.07 0.21 -0.61 1.10 0.46 -4.80 121.20 115.22 1vk8 s ILE 84 Ca 0.00 -0.55 0.06 0.00 -0.51 0.00 0.00 60.65 59.65 1vk8 s ILE 84 Cb 0.00 -0.44 -0.05 0.00 0.15 0.00 0.00 42.46 42.12 1vk8 s ILE 84 CO 0.00 -0.30 -0.10 0.42 -2.11 0.00 0.00 174.94 172.85 1vk8 s THR 85 N -1.16 1.49 0.16 4.00 -4.23 -1.26 -3.75 115.64 110.89 1vk8 s THR 85 Ca -0.12 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.09 1vk8 s THR 85 Cb -0.06 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.70 1vk8 s THR 85 CO 0.02 -0.55 1.76 0.40 -0.54 0.00 0.00 174.62 175.71 1vk8 h ILE 86 N 2.55 0.91 -0.98 2.99 2.04 -1.95 -2.87 117.51 120.20 1vk8 h ILE 86 Ca -0.38 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1vk8 h ILE 86 Cb 1.22 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1vk8 h ILE 86 CO 0.64 0.05 0.63 -0.33 0.00 0.00 0.00 178.15 179.14 1vk8 h GLU 87 N 0.30 1.31 0.00 2.37 5.08 -1.97 -0.56 114.58 121.11 1vk8 h GLU 87 Ca 0.17 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1vk8 h GLU 87 Cb 0.13 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1vk8 h GLU 87 CO -0.16 0.88 -0.16 0.93 -1.00 0.00 0.00 179.01 179.51 1vk8 h GLU 88 N 1.34 0.00 0.04 2.33 5.08 -1.93 -0.47 114.58 120.97 1vk8 h GLU 88 Ca 0.36 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.43 1vk8 h GLU 88 Cb -0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1vk8 h GLU 88 CO -0.07 0.16 -1.52 0.87 -1.00 0.00 0.00 179.01 177.44 1vk8 h LYS 89 N 0.00 0.08 0.00 2.33 1.57 -1.05 -3.43 116.57 116.07 1vk8 h LYS 89 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1vk8 h LYS 89 Cb 0.29 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1vk8 h LYS 89 CO 0.02 0.82 -0.90 1.33 -0.57 0.00 0.00 179.45 180.16 1vk8 n VAL 90 N -3.25 0.00 0.06 0.50 0.24 -0.34 -4.84 118.33 110.70 1vk8 n VAL 90 Ca -0.14 -0.13 0.03 0.00 -2.04 0.00 0.00 64.34 62.06 1vk8 n VAL 90 Cb 1.02 0.56 0.42 0.00 -1.47 0.00 0.00 33.84 34.38 1vk8 n VAL 90 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1vk8 h SER 91 N 0.00 0.35 0.66 -1.34 4.64 -1.30 0.55 113.55 117.12 1vk8 h SER 91 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1vk8 h SER 91 Cb 0.09 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vk8 h SER 91 CO 0.00 0.35 0.00 0.07 -0.87 0.00 0.00 176.83 176.38 1vk8 h LYS 92 N 0.39 0.00 -0.56 4.77 2.10 -1.88 -1.48 116.57 119.90 1vk8 h LYS 92 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1vk8 h LYS 92 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1vk8 h LYS 92 CO -0.01 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.10 1vk8 n TYR 93 N -2.88 0.75 -0.50 0.07 4.01 0.18 -5.27 117.16 113.52 1vk8 n TYR 93 Ca -0.00 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 1vk8 n TYR 93 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1vk8 n TYR 93 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94