#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 2.86 0.38 -0.52 1.02 -1.26 -4.62 119.74 117.60 1vk8 s LYS 3 Ca 0.00 -1.11 0.07 0.00 0.02 0.00 0.00 55.97 54.96 1vk8 s LYS 3 Cb 0.00 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.71 1vk8 s LYS 3 CO 0.00 0.37 -0.01 0.14 -0.92 0.00 0.00 175.35 174.93 1vk8 s VAL 4 N -2.17 1.96 -0.01 3.17 -7.23 0.03 -1.29 120.40 114.87 1vk8 s VAL 4 Ca 0.33 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1vk8 s VAL 4 Cb -0.08 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 1vk8 s VAL 4 CO 0.25 -0.05 -0.08 0.42 -0.31 0.00 0.00 175.10 175.32 1vk8 s THR 5 N -2.75 3.56 -0.10 5.32 -4.23 -1.21 -1.96 115.64 114.26 1vk8 s THR 5 Ca 0.34 -0.74 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1vk8 s THR 5 Cb 0.08 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.45 1vk8 s THR 5 CO 0.17 0.44 0.03 -0.69 -0.54 0.00 0.00 174.62 174.04 1vk8 s VAL 6 N -0.94 0.23 -0.14 2.29 1.01 -0.38 -0.96 120.40 121.50 1vk8 s VAL 6 Ca 0.16 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 1vk8 s VAL 6 Cb -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1vk8 s VAL 6 CO 0.06 0.07 0.26 -0.44 0.00 0.00 0.00 175.10 175.05 1vk8 s SER 7 N 2.02 6.44 -0.09 3.32 0.01 -0.57 -0.69 113.70 124.13 1vk8 s SER 7 Ca 0.03 0.51 0.04 0.00 1.31 0.00 0.00 55.95 57.84 1vk8 s SER 7 Cb -0.14 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 1vk8 s SER 7 CO -0.06 0.17 -0.24 -0.63 0.41 0.00 0.00 173.24 172.90 1vk8 s ILE 8 N 0.11 2.02 -0.07 1.44 1.01 0.65 -0.91 121.20 125.46 1vk8 s ILE 8 Ca 0.16 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1vk8 s ILE 8 Cb -0.13 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.61 1vk8 s ILE 8 CO 0.04 0.55 -0.12 -0.75 0.00 0.00 0.00 174.94 174.66 1vk8 s LYS 9 N 0.28 1.75 -0.16 2.79 2.20 -0.04 -1.07 119.74 125.49 1vk8 s LYS 9 Ca -0.17 -0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1vk8 s LYS 9 Cb -0.17 -1.45 -0.01 0.00 -1.51 0.00 0.00 37.83 34.68 1vk8 s LYS 9 CO 0.08 0.02 -0.10 0.08 -0.36 0.00 0.00 175.35 175.06 1vk8 s VAL 10 N 0.71 3.16 -0.38 4.02 1.01 -1.26 -0.76 120.40 126.90 1vk8 s VAL 10 Ca -0.14 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1vk8 s VAL 10 Cb -0.16 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 33.97 1vk8 s VAL 10 CO 0.03 0.50 0.13 -0.69 0.00 0.00 0.00 175.10 175.07 1vk8 s VAL 11 N 0.70 1.81 0.37 2.92 1.01 0.33 -4.95 120.40 122.59 1vk8 s VAL 11 Ca -0.05 -2.30 -0.25 0.00 0.00 0.00 0.00 61.98 59.38 1vk8 s VAL 11 Cb -0.15 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 1vk8 s VAL 11 CO 0.02 -0.71 0.99 -2.16 0.00 0.00 0.00 175.10 173.25 1vk8 s PRO 12 N 0.79 4.37 -1.25 2.72 0.04 -1.26 -1.00 135.00 139.41 1vk8 s PRO 12 Ca 0.13 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 1vk8 s PRO 12 Cb -0.21 -2.63 0.16 0.00 0.04 0.00 0.00 34.50 31.87 1vk8 s PRO 12 CO -0.10 0.07 1.65 0.00 0.04 0.00 0.00 177.00 178.66 1vk8 n ALA 13 N 0.17 4.55 -2.24 8.56 0.00 0.15 -4.88 120.51 126.82 1vk8 n ALA 13 Ca 0.04 -4.26 -0.10 0.00 0.00 0.00 0.00 53.44 49.11 1vk8 n ALA 13 Cb 0.50 -3.05 -0.10 0.00 0.00 0.00 0.00 19.45 16.81 1vk8 n ALA 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1vk8 s VAL 14 N 1.14 0.59 0.47 0.00 -7.23 -1.26 -4.75 120.40 109.37 1vk8 s VAL 14 Ca 0.42 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.53 1vk8 s VAL 14 Cb 0.03 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.36 1vk8 s VAL 14 CO 0.00 -0.84 1.22 -1.84 -0.31 0.00 0.00 175.10 173.33 1vk8 n GLU 15 N 0.15 1.68 -0.31 4.82 0.28 -1.26 -4.75 120.64 121.26 1vk8 n GLU 15 Ca -0.14 0.61 0.31 0.00 -0.16 0.00 0.00 57.16 57.78 1vk8 n GLU 15 Cb 0.60 -2.35 0.56 0.00 1.43 0.00 0.00 31.44 31.68 1vk8 n GLU 15 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1vk8 n ASP 16 N -0.12 0.33 0.21 -1.84 5.68 -1.26 -0.93 116.55 118.62 1vk8 n ASP 16 Ca 0.09 1.58 0.15 0.00 -0.50 0.00 0.00 54.79 56.11 1vk8 n ASP 16 Cb 0.42 -0.77 0.61 0.00 -1.14 0.00 0.00 41.12 40.23 1vk8 n ASP 16 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1vk8 h GLY 17 N 0.00 0.00 -0.70 6.12 0.00 -2.05 -2.97 103.07 103.48 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 -0.73 0.00 -0.28 0.54 0.00 0.00 0.00 176.54 176.06 1vk8 n ARG 18 N -2.69 1.74 -0.34 4.80 1.74 -0.11 -4.65 116.66 117.15 1vk8 n ARG 18 Ca 0.01 -0.80 0.21 0.00 -0.77 0.00 0.00 57.85 56.51 1vk8 n ARG 18 Cb 0.26 -1.23 0.44 0.00 -1.02 0.00 0.00 32.46 30.91 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 1.70 0.57 -0.22 0.55 4.07 -1.38 -2.85 115.31 117.76 1vk8 h LEU 19 Ca 0.00 0.17 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 1vk8 h LEU 19 Cb 0.50 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1vk8 h LEU 19 CO 0.00 -0.04 -0.36 -0.74 -1.08 0.00 0.00 178.44 176.22 1vk8 h HIS 20 N 0.43 0.00 -0.07 1.13 2.76 -1.82 -2.92 115.15 114.65 1vk8 h HIS 20 Ca 0.70 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.77 1vk8 h HIS 20 Cb 1.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.45 1vk8 h HIS 20 CO -0.01 0.36 -0.33 1.49 -1.30 0.00 0.00 177.93 178.14 1vk8 h GLU 21 N 0.00 0.34 -0.46 5.26 4.81 -1.84 -1.14 114.58 121.54 1vk8 h GLU 21 Ca -0.00 -0.28 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1vk8 h GLU 21 Cb 1.19 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 1vk8 h GLU 21 CO 0.05 0.92 0.16 0.28 -0.73 0.00 0.00 179.01 179.68 1vk8 h VAL 22 N -0.16 0.84 -0.59 0.32 2.07 -1.65 -2.01 116.25 115.08 1vk8 h VAL 22 Ca -0.02 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1vk8 h VAL 22 Cb 0.98 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1vk8 h VAL 22 CO 0.07 0.06 0.02 0.40 0.02 0.00 0.00 177.57 178.14 1vk8 h ILE 23 N 0.33 1.26 -0.76 4.57 1.08 -1.51 -1.82 117.51 120.65 1vk8 h ILE 23 Ca 0.22 -1.10 0.03 0.00 -0.39 0.00 0.00 64.86 63.62 1vk8 h ILE 23 Cb 0.23 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1vk8 h ILE 23 CO -0.23 0.40 0.49 0.44 -0.69 0.00 0.00 178.15 178.55 1vk8 h ASP 24 N 0.93 0.81 -0.45 1.72 5.19 -0.99 -0.81 116.42 122.82 1vk8 h ASP 24 Ca 0.17 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.44 1vk8 h ASP 24 Cb 0.51 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1vk8 h ASP 24 CO 0.02 0.56 -0.26 0.03 -3.12 0.00 0.00 179.24 176.47 1vk8 h ARG 25 N 0.95 0.97 -0.07 3.56 2.47 -1.04 -0.63 114.38 120.60 1vk8 h ARG 25 Ca 0.30 -0.44 0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1vk8 h ARG 25 Cb 0.00 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1vk8 h ARG 25 CO -0.11 1.11 -0.03 0.00 0.56 0.00 0.00 179.97 181.51 1vk8 h ALA 26 N 0.86 0.03 -0.40 0.04 0.00 -1.06 0.30 119.26 119.04 1vk8 h ALA 26 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1vk8 h ALA 26 Cb 0.84 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1vk8 h ALA 26 CO 0.07 -0.50 0.14 0.82 0.00 0.00 0.00 179.25 179.78 1vk8 h ILE 27 N -0.02 1.21 -0.74 0.00 2.04 -1.04 -0.24 117.51 118.72 1vk8 h ILE 27 Ca 0.04 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.27 1vk8 h ILE 27 Cb 0.07 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1vk8 h ILE 27 CO -0.08 0.23 0.47 -0.08 0.00 0.00 0.00 178.15 178.69 1vk8 h GLU 28 N 0.50 0.88 -0.17 2.37 4.81 -1.00 -1.59 114.58 120.37 1vk8 h GLU 28 Ca 0.13 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1vk8 h GLU 28 Cb 0.22 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1vk8 h GLU 28 CO -0.01 0.58 0.04 -0.22 -0.73 0.00 0.00 179.01 178.68 1vk8 h LYS 29 N 0.91 0.28 -0.94 1.92 1.63 -0.56 -2.89 116.57 116.91 1vk8 h LYS 29 Ca 0.30 -0.07 0.12 0.00 -0.85 0.00 0.00 60.65 60.15 1vk8 h LYS 29 Cb 0.02 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.54 1vk8 h LYS 29 CO -0.11 0.42 0.60 0.82 -3.45 0.00 0.00 179.45 177.73 1vk8 h ILE 30 N 0.09 0.90 0.00 2.00 2.04 -0.69 -2.16 117.51 119.68 1vk8 h ILE 30 Ca 0.05 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1vk8 h ILE 30 Cb 0.27 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1vk8 h ILE 30 CO 0.00 0.16 -0.01 0.77 0.00 0.00 0.00 178.15 179.07 1vk8 h SER 31 N 0.86 0.00 0.84 1.72 4.64 -1.09 -2.35 113.55 118.17 1vk8 h SER 31 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1vk8 h SER 31 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1vk8 h SER 31 CO -0.23 0.01 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.17 1vk8 n SER 32 N -3.11 0.05 0.19 4.97 3.41 -0.81 -3.74 113.62 114.58 1vk8 n SER 32 Ca -0.00 0.25 0.14 0.00 -0.26 0.00 0.00 58.87 59.00 1vk8 n SER 32 Cb 0.25 -0.38 0.43 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.02 0.00 -1.96 7.33 6.55 -1.50 -3.52 115.95 122.87 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 0.44 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.74 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 0.66 0.79 3.78 1.49 0.00 -1.25 -5.18 105.19 105.48 1vk8 n GLY 34 Ca 0.03 -0.41 -0.36 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 -2.69 3.94 0.07 1.61 2.20 -1.26 -5.17 119.74 118.45 1vk8 s LYS 36 Ca 0.00 -0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 55.41 1vk8 s LYS 36 Cb 0.00 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1vk8 s LYS 36 CO 0.00 0.47 0.24 1.52 -0.36 0.00 0.00 175.35 177.22 1vk8 s TYR 37 N -0.16 0.03 -0.03 4.03 1.13 -1.26 -1.35 117.35 119.73 1vk8 s TYR 37 Ca 0.13 -0.33 -0.00 0.00 -1.41 0.00 0.00 57.07 55.45 1vk8 s TYR 37 Cb -0.12 0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.78 1vk8 s TYR 37 CO 0.02 -0.52 0.02 -2.00 -2.51 0.00 0.00 175.55 170.56 1vk8 s GLU 38 N -3.23 0.17 -0.21 -3.49 2.12 -0.27 -4.99 118.70 108.80 1vk8 s GLU 38 Ca -0.00 0.16 -0.21 0.00 0.36 0.00 0.00 54.97 55.28 1vk8 s GLU 38 Cb 0.02 -0.47 -0.02 0.00 0.26 0.00 0.00 34.13 33.92 1vk8 s GLU 38 CO -0.08 -0.19 0.65 0.08 -0.54 0.00 0.00 175.26 175.18 1vk8 s VAL 39 N 1.33 5.00 0.48 3.70 1.01 -1.26 -1.20 120.40 129.46 1vk8 s VAL 39 Ca -0.06 1.22 0.07 0.00 0.00 0.00 0.00 61.98 63.21 1vk8 s VAL 39 Cb -0.13 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1vk8 s VAL 39 CO -0.03 0.08 0.38 -0.83 0.00 0.00 0.00 175.10 174.70 1vk8 s GLY 40 N 1.25 2.27 0.51 4.51 0.00 0.46 -5.00 107.32 111.31 1vk8 s GLY 40 Ca 0.29 -1.63 0.19 0.00 0.00 0.00 0.00 44.72 43.57 1vk8 s GLY 40 CO 0.10 -1.85 2.06 -2.55 0.00 0.00 0.00 173.10 170.87 1vk8 h PRO 41 N 0.92 0.07 0.00 2.90 0.11 -2.04 -3.28 132.00 130.68 1vk8 h PRO 41 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1vk8 h PRO 41 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1vk8 h PRO 41 CO 0.59 0.04 -0.38 -1.13 -0.21 0.00 0.00 178.00 176.91 1vk8 n SER 42 N -4.46 1.16 -3.60 -2.05 3.41 -1.26 -5.07 113.62 101.75 1vk8 n SER 42 Ca 0.04 -0.43 -0.04 0.00 -0.26 0.00 0.00 58.87 58.18 1vk8 n SER 42 Cb 0.33 1.03 -0.00 0.00 -0.26 0.00 0.00 64.21 65.31 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 -1.54 -0.11 -0.13 4.04 2.20 -1.24 -4.73 114.94 113.43 1vk8 s ASN 43 Ca 0.01 -0.53 0.03 0.00 -0.94 0.00 0.00 52.86 51.42 1vk8 s ASN 43 Cb 0.02 0.52 0.01 0.00 -2.00 0.00 0.00 41.25 39.80 1vk8 s ASN 43 CO 0.12 -0.99 -0.21 -0.89 -2.94 0.00 0.00 177.10 172.20 1vk8 s THR 44 N -2.93 1.92 -0.23 0.54 2.01 -0.23 -0.41 115.64 116.32 1vk8 s THR 44 Ca 0.15 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 1vk8 s THR 44 Cb -0.02 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1vk8 s THR 44 CO 0.04 0.52 0.13 -0.89 -0.69 0.00 0.00 174.62 173.73 1vk8 s THR 45 N 0.79 5.05 0.12 -0.82 2.01 -0.34 -0.25 115.64 122.20 1vk8 s THR 45 Ca -0.09 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1vk8 s THR 45 Cb -0.16 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1vk8 s THR 45 CO -0.00 0.36 0.06 0.68 -0.69 0.00 0.00 174.62 175.03 1vk8 s VAL 46 N 1.07 4.25 -0.14 3.82 -7.23 0.14 -1.12 120.40 121.19 1vk8 s VAL 46 Ca 0.06 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 1vk8 s VAL 46 Cb -0.14 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.72 1vk8 s VAL 46 CO 0.04 0.02 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.93 1vk8 s GLU 47 N -2.66 3.04 0.00 4.82 2.12 -0.46 -1.25 118.70 124.30 1vk8 s GLU 47 Ca 0.28 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1vk8 s GLU 47 Cb -0.11 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 31.84 1vk8 s GLU 47 CO 0.21 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1vk8 n GLY 48 N 4.01 -1.12 3.73 -1.50 0.00 -0.83 -3.98 105.19 105.49 1vk8 n GLY 48 Ca -0.20 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.03 4.59 0.12 1.61 -6.30 -1.26 -0.79 118.70 116.64 1vk8 s GLU 49 Ca 0.00 1.63 -0.23 0.00 -2.50 0.00 0.00 54.97 53.86 1vk8 s GLU 49 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 34.13 30.74 1vk8 s GLU 49 CO 0.00 0.05 1.68 0.35 0.02 0.00 0.00 175.26 177.35 1vk8 h PHE 50 N 5.67 -0.36 -0.21 5.30 3.57 -1.92 -1.84 116.94 127.14 1vk8 h PHE 50 Ca -0.43 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 60.96 1vk8 h PHE 50 Cb 1.21 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1vk8 h PHE 50 CO 0.64 -0.21 -0.40 0.93 -2.23 0.00 0.00 178.31 177.04 1vk8 h GLU 51 N -0.21 0.49 -0.45 1.11 5.08 -1.98 -2.63 114.58 115.98 1vk8 h GLU 51 Ca 0.07 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1vk8 h GLU 51 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1vk8 h GLU 51 CO -0.18 0.81 0.24 1.49 -1.00 0.00 0.00 179.01 180.38 1vk8 h GLU 52 N 0.40 0.62 -1.76 2.33 4.81 -1.93 -1.70 114.58 117.36 1vk8 h GLU 52 Ca 0.04 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1vk8 h GLU 52 Cb 0.88 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1vk8 h GLU 52 CO 0.07 0.49 0.00 -0.89 -0.73 0.00 0.00 179.01 177.96 1vk8 n ILE 53 N -4.70 0.04 0.00 2.32 5.41 -0.71 -1.09 119.36 120.63 1vk8 n ILE 53 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1vk8 n ILE 53 Cb 0.08 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 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 0.93 0.00 0.01 4.38 8.00 -0.64 -0.37 116.55 128.86 1vk8 n ASP 55 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1vk8 n ASP 55 Cb 0.02 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.50 -0.55 -1.24 2.47 -1.38 -2.75 114.38 111.44 1vk8 h ARG 56 Ca 0.00 -0.16 -0.07 0.00 -1.26 0.00 0.00 59.98 58.48 1vk8 h ARG 56 Cb 0.00 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1vk8 h ARG 56 CO 0.00 0.66 0.05 0.28 0.56 0.00 0.00 179.97 181.52 1vk8 h VAL 57 N 0.45 1.25 -0.35 2.04 2.07 -0.97 1.00 116.25 121.74 1vk8 h VAL 57 Ca 0.08 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1vk8 h VAL 57 Cb 0.57 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1vk8 h VAL 57 CO 0.04 0.36 0.07 0.11 0.02 0.00 0.00 177.57 178.16 1vk8 h LYS 58 N 0.85 0.18 -0.66 1.57 1.57 -1.75 -1.71 116.57 116.60 1vk8 h LYS 58 Ca 0.17 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1vk8 h LYS 58 Cb 0.43 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1vk8 h LYS 58 CO 0.02 0.12 0.19 0.93 -0.57 0.00 0.00 179.45 180.14 1vk8 h GLU 59 N 0.18 1.04 -0.30 3.15 5.08 -1.25 -2.83 114.58 119.65 1vk8 h GLU 59 Ca 0.17 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1vk8 h GLU 59 Cb 0.19 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1vk8 h GLU 59 CO -0.22 0.91 0.05 1.25 -1.00 0.00 0.00 179.01 180.00 1vk8 h LEU 60 N 0.97 -0.01 -0.39 1.33 5.85 -0.40 -0.75 115.31 121.91 1vk8 h LEU 60 Ca 0.21 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1vk8 h LEU 60 Cb 0.32 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1vk8 h LEU 60 CO -0.00 0.03 0.24 0.00 -0.34 0.00 0.00 178.44 178.37 1vk8 h ALA 61 N 1.23 0.50 -0.67 1.25 0.00 -1.25 -0.20 119.26 120.12 1vk8 h ALA 61 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1vk8 h ALA 61 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1vk8 h ALA 61 CO -0.19 -0.01 0.36 0.00 0.00 0.00 0.00 179.25 179.41 1vk8 h ARG 62 N 0.52 0.93 -0.50 0.00 -0.00 -1.33 -2.43 114.38 111.57 1vk8 h ARG 62 Ca 0.14 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 1vk8 h ARG 62 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 29.76 1vk8 h ARG 62 CO -0.03 0.70 0.28 -0.92 0.00 0.00 0.00 179.97 180.01 1vk8 h TYR 63 N 0.91 0.67 0.00 3.04 3.20 -0.67 -3.07 116.97 121.06 1vk8 h TYR 63 Ca 0.23 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1vk8 h TYR 63 Cb 0.05 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1vk8 h TYR 63 CO -0.01 0.49 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.63 1vk8 h LEU 64 N 0.66 0.00 -2.71 2.82 3.38 -0.74 -3.03 115.31 115.69 1vk8 h LEU 64 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1vk8 h LEU 64 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1vk8 h LEU 64 CO -0.03 0.30 0.00 1.05 0.09 0.00 0.00 178.44 179.85 1vk8 h GLU 65 N 0.00 0.00 -0.22 1.13 4.11 -1.34 0.77 114.58 119.02 1vk8 h GLU 65 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1vk8 h GLU 65 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1vk8 h GLU 65 CO 0.04 0.00 0.05 1.96 0.07 0.00 0.00 179.01 181.13 1vk8 h GLN 66 N 0.00 0.32 0.00 1.06 4.20 -1.69 -3.27 115.11 115.72 1vk8 h GLN 66 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1vk8 h GLN 66 Cb 0.09 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1vk8 h GLN 66 CO 0.00 0.30 -1.85 1.19 -0.67 0.00 0.00 178.83 177.80 1vk8 n PHE 67 N -4.40 0.02 -3.66 2.96 3.72 0.20 -4.92 117.46 111.38 1vk8 n PHE 67 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1vk8 n PHE 67 Cb 0.15 -0.44 -0.07 0.00 -0.94 0.00 0.00 39.48 38.18 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 -3.45 -1.65 -0.01 4.37 0.00 -0.84 -4.92 121.76 115.26 1vk8 s ALA 68 Ca -0.06 2.02 0.27 0.00 0.00 0.00 0.00 51.96 54.19 1vk8 s ALA 68 Cb 0.14 -1.51 0.93 0.00 0.00 0.00 0.00 23.12 22.69 1vk8 s ALA 68 CO 0.90 -0.73 1.82 0.87 0.00 0.00 0.00 175.76 178.62 1vk8 h LYS 69 N 7.83 0.00 -3.35 0.00 6.56 -1.86 -3.37 116.57 122.38 1vk8 h LYS 69 Ca -0.21 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.12 1vk8 h LYS 69 Cb 1.13 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 32.46 1vk8 h LYS 69 CO 0.13 0.11 -0.64 0.50 -2.06 0.00 0.00 179.45 177.49 1vk8 s ARG 70 N -3.53 0.05 0.00 3.15 6.06 -1.26 -5.06 118.95 118.36 1vk8 s ARG 70 Ca 0.02 0.30 -0.22 0.00 -2.50 0.00 0.00 55.73 53.33 1vk8 s ARG 70 Cb 0.09 -0.20 0.05 0.00 0.06 0.00 0.00 34.95 34.94 1vk8 s ARG 70 CO 0.61 -0.17 0.49 -0.59 -2.50 0.00 0.00 175.30 173.15 1vk8 s PHE 71 N 1.13 -0.40 -0.04 5.12 -0.71 -1.26 -0.67 117.98 121.13 1vk8 s PHE 71 Ca -0.09 0.57 -0.18 0.00 -1.04 0.00 0.00 56.93 56.19 1vk8 s PHE 71 Cb -0.12 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 41.92 1vk8 s PHE 71 CO -0.05 -0.55 0.50 0.08 -1.34 0.00 0.00 175.22 173.86 1vk8 s VAL 72 N -1.78 5.03 -0.14 -2.49 1.01 -0.17 -4.96 120.40 116.90 1vk8 s VAL 72 Ca -0.09 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1vk8 s VAL 72 Cb -0.02 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1vk8 s VAL 72 CO 0.03 0.43 -0.12 -0.22 0.00 0.00 0.00 175.10 175.22 1vk8 s LEU 73 N -0.15 1.57 -0.09 3.92 2.96 -1.26 -0.51 118.68 125.12 1vk8 s LEU 73 Ca 0.27 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1vk8 s LEU 73 Cb -0.17 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 1vk8 s LEU 73 CO 0.14 -0.08 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.76 1vk8 s GLN 74 N 1.55 2.94 -0.09 1.98 -0.21 0.06 -4.98 119.66 120.91 1vk8 s GLN 74 Ca 0.05 -0.86 0.03 0.00 0.02 0.00 0.00 55.36 54.60 1vk8 s GLN 74 Cb -0.13 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 1vk8 s GLN 74 CO -0.10 0.25 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.62 1vk8 s LEU 75 N 0.18 2.41 -0.31 2.90 1.43 -1.26 -0.86 118.68 123.17 1vk8 s LEU 75 Ca -0.13 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1vk8 s LEU 75 Cb -0.16 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.65 1vk8 s LEU 75 CO 0.07 0.22 0.02 -0.62 0.23 0.00 0.00 176.35 176.27 1vk8 s ASP 76 N 0.00 4.49 -0.22 2.29 2.15 -0.09 -4.96 116.67 120.33 1vk8 s ASP 76 Ca -0.06 -1.83 -0.10 0.00 0.43 0.00 0.00 52.55 50.99 1vk8 s ASP 76 Cb -0.15 -1.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.97 1vk8 s ASP 76 CO 0.05 -0.33 0.13 -0.63 -0.17 0.00 0.00 175.17 174.22 1vk8 s ILE 77 N 1.10 5.22 -0.43 4.11 1.01 -1.26 -1.51 121.20 129.43 1vk8 s ILE 77 Ca 0.05 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 1vk8 s ILE 77 Cb -0.19 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.90 1vk8 s ILE 77 CO -0.10 0.38 0.34 -0.62 0.00 0.00 0.00 174.94 174.95 1vk8 s ASP 78 N 0.85 6.13 -0.23 3.58 2.15 -0.14 -5.01 116.67 124.00 1vk8 s ASP 78 Ca 0.07 -0.97 -0.06 0.00 0.43 0.00 0.00 52.55 52.02 1vk8 s ASP 78 Cb -0.13 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 1vk8 s ASP 78 CO 0.03 -0.52 0.03 -0.47 -0.17 0.00 0.00 175.17 174.07 1vk8 s TYR 79 N 1.74 3.07 -0.04 -5.34 6.14 -1.26 -3.28 117.35 118.38 1vk8 s TYR 79 Ca 0.06 -0.46 0.00 0.00 0.64 0.00 0.00 57.07 57.32 1vk8 s TYR 79 Cb -0.20 -2.16 0.02 0.00 0.42 0.00 0.00 41.96 40.04 1vk8 s TYR 79 CO 0.10 -0.31 -0.02 0.21 0.64 0.00 0.00 175.55 176.17 1vk8 s LYS 80 N 1.31 0.57 0.19 4.97 2.20 -1.26 -5.06 119.74 122.67 1vk8 s LYS 80 Ca 0.04 0.01 -0.32 0.00 -0.36 0.00 0.00 55.97 55.35 1vk8 s LYS 80 Cb -0.15 -0.72 -0.12 0.00 -1.51 0.00 0.00 37.83 35.34 1vk8 s LYS 80 CO 0.02 -0.14 1.74 0.00 -0.36 0.00 0.00 175.35 176.61 1vk8 s ALA 81 N 1.16 3.91 0.00 3.13 0.00 -1.26 -1.13 121.76 127.56 1vk8 s ALA 81 Ca -0.08 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1vk8 s ALA 81 Cb -0.14 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1vk8 s ALA 81 CO -0.02 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1vk8 n GLY 82 N 4.03 2.02 0.00 0.00 0.00 -1.26 -4.92 105.19 105.06 1vk8 n GLY 82 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.72 3.06 -0.02 0.00 -0.29 -4.56 105.19 104.10 1vk8 n GLY 83 Ca 0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.06 0.07 0.25 -0.61 1.10 -0.41 -4.83 121.20 114.72 1vk8 s ILE 84 Ca 0.00 -0.56 0.05 0.00 -0.51 0.00 0.00 60.65 59.64 1vk8 s ILE 84 Cb 0.00 -0.35 -0.05 0.00 0.15 0.00 0.00 42.46 42.21 1vk8 s ILE 84 CO 0.00 -0.31 -0.04 0.42 -2.11 0.00 0.00 174.94 172.91 1vk8 s THR 85 N -1.04 1.36 0.15 4.00 -4.23 -1.26 -3.84 115.64 110.77 1vk8 s THR 85 Ca -0.11 -2.08 -0.17 0.00 -1.18 0.00 0.00 61.69 58.15 1vk8 s THR 85 Cb -0.06 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.41 1vk8 s THR 85 CO 0.01 -0.33 1.74 0.40 -0.54 0.00 0.00 174.62 175.90 1vk8 h ILE 86 N 2.38 0.89 -0.74 2.99 2.04 -1.94 -2.95 117.51 120.18 1vk8 h ILE 86 Ca -0.39 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1vk8 h ILE 86 Cb 1.23 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1vk8 h ILE 86 CO 0.66 0.04 0.38 -0.08 0.00 0.00 0.00 178.15 179.15 1vk8 h GLU 87 N 0.23 1.03 0.00 2.37 4.81 -1.96 -0.39 114.58 120.67 1vk8 h GLU 87 Ca 0.15 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1vk8 h GLU 87 Cb 0.14 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1vk8 h GLU 87 CO -0.17 0.77 -0.13 0.93 -0.73 0.00 0.00 179.01 179.68 1vk8 h GLU 88 N 1.03 0.00 0.00 1.92 5.08 -1.94 -1.22 114.58 119.46 1vk8 h GLU 88 Ca 0.26 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.45 1vk8 h GLU 88 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1vk8 h GLU 88 CO -0.04 0.13 -1.69 1.63 -1.00 0.00 0.00 179.01 178.04 1vk8 n LYS 89 N -4.02 0.64 -0.00 2.33 5.02 -0.29 -4.70 118.16 117.14 1vk8 n LYS 89 Ca -0.02 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1vk8 n LYS 89 Cb 0.22 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 1vk8 n LYS 89 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1vk8 n VAL 90 N -2.74 0.00 -0.36 -0.18 0.24 -0.43 -4.79 118.33 110.06 1vk8 n VAL 90 Ca -0.13 -0.16 0.07 0.00 -2.04 0.00 0.00 64.34 62.08 1vk8 n VAL 90 Cb 0.84 0.63 0.23 0.00 -1.47 0.00 0.00 33.84 34.08 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 0.94 -1.31 -1.34 4.64 -1.44 0.61 113.55 115.65 1vk8 h SER 91 Ca 0.00 0.04 0.38 0.00 -0.47 0.00 0.00 61.79 61.75 1vk8 h SER 91 Cb 0.04 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 61.90 1vk8 h SER 91 CO 0.00 0.51 0.91 0.50 -0.87 0.00 0.00 176.83 177.88 1vk8 h LYS 92 N 1.02 0.10 -0.56 4.77 3.64 -1.87 -1.76 116.57 121.91 1vk8 h LYS 92 Ca 0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1vk8 h LYS 92 Cb 0.46 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1vk8 h LYS 92 CO -0.26 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.65 1vk8 n TYR 93 N -4.34 0.74 -1.67 1.91 4.01 0.20 -5.26 117.16 112.76 1vk8 n TYR 93 Ca 0.31 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1vk8 n TYR 93 Cb 1.33 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.36 1vk8 n TYR 93 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94