#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 3.03 0.37 0.54 1.02 -1.26 -4.65 119.74 118.79 1vk8 s LYS 3 Ca 0.00 -1.05 0.08 0.00 0.02 0.00 0.00 55.97 55.02 1vk8 s LYS 3 Cb 0.00 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.56 1vk8 s LYS 3 CO 0.00 0.23 -0.04 0.14 -0.92 0.00 0.00 175.35 174.76 1vk8 s VAL 4 N -2.16 2.05 -0.05 3.17 -7.23 -0.46 -1.03 120.40 114.69 1vk8 s VAL 4 Ca 0.39 -2.10 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1vk8 s VAL 4 Cb -0.08 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1vk8 s VAL 4 CO 0.28 -0.11 -0.02 0.42 -0.31 0.00 0.00 175.10 175.36 1vk8 s THR 5 N -2.71 4.09 -0.12 5.32 -4.23 -1.19 -1.99 115.64 114.81 1vk8 s THR 5 Ca 0.34 -0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 60.41 1vk8 s THR 5 Cb 0.06 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1vk8 s THR 5 CO 0.17 0.53 -0.04 -0.69 -0.54 0.00 0.00 174.62 174.06 1vk8 s VAL 6 N -0.92 0.79 -0.18 2.29 1.01 0.04 -0.95 120.40 122.48 1vk8 s VAL 6 Ca 0.15 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 1vk8 s VAL 6 Cb -0.11 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1vk8 s VAL 6 CO 0.04 0.23 0.32 -0.44 0.00 0.00 0.00 175.10 175.25 1vk8 s SER 7 N 1.79 6.40 -0.13 3.32 0.01 -0.14 -0.44 113.70 124.51 1vk8 s SER 7 Ca 0.03 0.47 0.01 0.00 1.31 0.00 0.00 55.95 57.77 1vk8 s SER 7 Cb -0.13 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 1vk8 s SER 7 CO -0.07 0.03 -0.17 -0.63 0.41 0.00 0.00 173.24 172.81 1vk8 s ILE 8 N 0.84 2.64 -0.09 1.44 1.01 0.75 -1.02 121.20 126.77 1vk8 s ILE 8 Ca 0.16 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1vk8 s ILE 8 Cb -0.14 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1vk8 s ILE 8 CO 0.05 0.53 -0.18 -0.75 0.00 0.00 0.00 174.94 174.59 1vk8 s LYS 9 N 0.53 2.40 -0.15 2.79 2.20 -0.18 -1.08 119.74 126.24 1vk8 s LYS 9 Ca -0.11 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 54.83 1vk8 s LYS 9 Cb -0.16 -1.89 -0.02 0.00 -1.51 0.00 0.00 37.83 34.25 1vk8 s LYS 9 CO 0.04 0.08 -0.07 0.08 -0.36 0.00 0.00 175.35 175.12 1vk8 s VAL 10 N 0.57 3.52 -0.40 4.02 1.01 -1.26 -0.59 120.40 127.27 1vk8 s VAL 10 Ca -0.15 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1vk8 s VAL 10 Cb -0.17 -2.52 0.12 0.00 0.00 0.00 0.00 36.38 33.81 1vk8 s VAL 10 CO 0.05 0.50 0.18 -0.69 0.00 0.00 0.00 175.10 175.14 1vk8 s VAL 11 N 0.46 1.52 0.41 2.92 1.01 -0.15 -4.92 120.40 121.65 1vk8 s VAL 11 Ca -0.06 -2.30 -0.23 0.00 0.00 0.00 0.00 61.98 59.39 1vk8 s VAL 11 Cb -0.15 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1vk8 s VAL 11 CO 0.04 -0.78 1.02 -2.16 0.00 0.00 0.00 175.10 173.21 1vk8 s PRO 12 N 0.70 4.15 -1.25 2.72 0.04 -1.26 -1.18 135.00 138.92 1vk8 s PRO 12 Ca 0.14 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 1vk8 s PRO 12 Cb -0.22 -2.43 0.15 0.00 0.04 0.00 0.00 34.50 32.03 1vk8 s PRO 12 CO -0.08 -0.13 1.59 0.00 0.04 0.00 0.00 177.00 178.42 1vk8 n ALA 13 N -0.25 4.08 -2.17 8.56 0.00 -0.14 -4.91 120.51 125.69 1vk8 n ALA 13 Ca 0.06 -4.17 -0.10 0.00 0.00 0.00 0.00 53.44 49.23 1vk8 n ALA 13 Cb 0.51 -3.17 -0.10 0.00 0.00 0.00 0.00 19.45 16.69 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 1.98 0.17 0.59 0.00 -7.23 -1.26 -4.74 120.40 109.91 1vk8 s VAL 14 Ca 0.45 -1.93 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 1vk8 s VAL 14 Cb 0.01 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 1vk8 s VAL 14 CO 0.01 -0.43 1.17 -1.83 -0.31 0.00 0.00 175.10 173.71 1vk8 s GLU 15 N -4.04 3.02 0.41 4.82 -1.05 -1.26 -4.82 118.70 115.78 1vk8 s GLU 15 Ca 0.25 1.70 0.22 0.00 -0.15 0.00 0.00 54.97 56.99 1vk8 s GLU 15 Cb 0.07 -1.95 1.19 0.00 -0.44 0.00 0.00 34.13 33.01 1vk8 s GLU 15 CO 0.03 -1.14 1.73 0.22 0.95 0.00 0.00 175.26 177.05 1vk8 h ASP 16 N 0.81 0.39 0.44 0.83 1.82 -2.01 -0.41 116.42 118.29 1vk8 h ASP 16 Ca -0.50 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 1vk8 h ASP 16 Cb 1.28 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1vk8 h ASP 16 CO 0.55 0.01 0.00 1.23 -1.61 0.00 0.00 179.24 179.42 1vk8 h GLY 17 N 0.31 0.00 -0.77 -0.78 0.00 -2.05 -2.70 103.07 97.08 1vk8 h GLY 17 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1vk8 h GLY 17 CO -0.33 0.00 -0.33 0.54 0.00 0.00 0.00 176.54 176.42 1vk8 n ARG 18 N -2.73 1.64 0.06 4.80 1.74 -0.17 -4.72 116.66 117.28 1vk8 n ARG 18 Ca -0.01 -0.84 -0.13 0.00 -0.77 0.00 0.00 57.85 56.10 1vk8 n ARG 18 Cb 0.16 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.23 1vk8 n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1vk8 h LEU 19 N 1.88 -0.11 -1.33 0.55 5.85 -1.47 -3.02 115.31 117.67 1vk8 h LEU 19 Ca 0.00 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1vk8 h LEU 19 Cb 0.57 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1vk8 h LEU 19 CO 0.00 0.17 -0.33 0.45 -0.34 0.00 0.00 178.44 178.39 1vk8 h HIS 20 N -0.38 0.00 -0.14 1.25 3.86 -1.85 -2.65 115.15 115.24 1vk8 h HIS 20 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1vk8 h HIS 20 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1vk8 h HIS 20 CO 0.01 0.33 0.06 0.93 0.86 0.00 0.00 177.93 180.13 1vk8 h GLU 21 N 0.00 0.21 -0.67 2.45 5.08 -1.86 0.09 114.58 119.88 1vk8 h GLU 21 Ca -0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1vk8 h GLU 21 Cb 0.61 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1vk8 h GLU 21 CO 0.04 0.28 0.32 0.28 -1.00 0.00 0.00 179.01 178.93 1vk8 h VAL 22 N 0.09 1.23 -0.80 3.13 2.07 -1.37 -1.88 116.25 118.71 1vk8 h VAL 22 Ca 0.05 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1vk8 h VAL 22 Cb 0.14 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1vk8 h VAL 22 CO -0.01 0.26 0.39 0.40 0.02 0.00 0.00 177.57 178.64 1vk8 h ILE 23 N 0.92 1.25 -0.87 4.57 2.04 -1.27 -1.83 117.51 122.33 1vk8 h ILE 23 Ca 0.23 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1vk8 h ILE 23 Cb 0.12 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 1vk8 h ILE 23 CO -0.03 0.30 0.57 0.44 0.00 0.00 0.00 178.15 179.43 1vk8 h ASP 24 N 1.13 0.94 -0.56 1.72 3.32 -0.58 -0.64 116.42 121.76 1vk8 h ASP 24 Ca 0.28 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 1vk8 h ASP 24 Cb 0.11 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1vk8 h ASP 24 CO -0.04 0.65 0.01 0.03 -1.72 0.00 0.00 179.24 178.17 1vk8 h ARG 25 N 1.09 0.98 -0.24 3.56 2.47 -0.73 -0.42 114.38 121.09 1vk8 h ARG 25 Ca 0.35 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1vk8 h ARG 25 Cb 0.02 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1vk8 h ARG 25 CO -0.10 0.98 0.11 0.00 0.56 0.00 0.00 179.97 181.52 1vk8 h ALA 26 N 0.97 0.31 -0.34 0.04 0.00 -0.95 -1.05 119.26 118.24 1vk8 h ALA 26 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1vk8 h ALA 26 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1vk8 h ALA 26 CO 0.03 -0.12 0.18 0.82 0.00 0.00 0.00 179.25 180.16 1vk8 h ILE 27 N 0.26 1.14 -0.55 0.00 2.04 -0.99 -0.22 117.51 119.20 1vk8 h ILE 27 Ca 0.08 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1vk8 h ILE 27 Cb 0.13 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1vk8 h ILE 27 CO -0.01 0.15 0.25 -0.33 0.00 0.00 0.00 178.15 178.20 1vk8 h GLU 28 N 0.42 0.45 -0.43 2.37 5.08 -0.98 -0.65 114.58 120.84 1vk8 h GLU 28 Ca 0.12 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1vk8 h GLU 28 Cb 0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1vk8 h GLU 28 CO -0.02 0.30 0.20 -0.22 -1.00 0.00 0.00 179.01 178.27 1vk8 h LYS 29 N 0.47 0.62 -0.95 2.33 1.63 -0.89 -2.43 116.57 117.35 1vk8 h LYS 29 Ca 0.25 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 1vk8 h LYS 29 Cb 0.22 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.68 1vk8 h LYS 29 CO -0.21 0.55 0.62 0.82 -3.45 0.00 0.00 179.45 177.78 1vk8 h ILE 30 N 0.55 1.08 0.00 2.00 2.04 -0.46 -1.64 117.51 121.08 1vk8 h ILE 30 Ca 0.15 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1vk8 h ILE 30 Cb 0.14 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1vk8 h ILE 30 CO -0.02 0.20 -0.03 0.77 0.00 0.00 0.00 178.15 179.07 1vk8 h SER 31 N 1.11 0.00 0.75 1.72 4.64 -0.64 -2.28 113.55 118.85 1vk8 h SER 31 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1vk8 h SER 31 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1vk8 h SER 31 CO -0.15 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.30 1vk8 n SER 32 N -3.37 0.00 0.22 4.97 3.41 -0.62 -3.83 113.62 114.40 1vk8 n SER 32 Ca -0.02 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 59.03 1vk8 n SER 32 Cb 0.15 -0.44 0.30 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.77 7.33 6.55 -1.50 -3.52 115.95 123.03 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 0.38 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.68 1vk8 h TRP 33 CO 0.00 0.12 0.00 0.41 -1.05 0.00 0.00 178.44 177.92 1vk8 n GLY 34 N 0.75 0.89 3.82 1.49 0.00 -1.25 -5.19 105.19 105.70 1vk8 n GLY 34 Ca 0.02 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.57 3.86 0.08 1.61 2.20 -1.25 -5.17 119.74 118.50 1vk8 s LYS 36 Ca 0.00 0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.59 1vk8 s LYS 36 Cb 0.00 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1vk8 s LYS 36 CO 0.00 0.58 0.32 1.52 -0.36 0.00 0.00 175.35 177.41 1vk8 s TYR 37 N -0.58 -0.10 -0.05 4.03 1.13 -1.26 -1.65 117.35 118.88 1vk8 s TYR 37 Ca 0.18 -0.16 -0.02 0.00 -1.41 0.00 0.00 57.07 55.67 1vk8 s TYR 37 Cb -0.14 0.13 0.03 0.00 -1.10 0.00 0.00 41.96 40.88 1vk8 s TYR 37 CO 0.07 -0.58 0.04 -2.00 -2.51 0.00 0.00 175.55 170.56 1vk8 s GLU 38 N -3.25 0.18 -0.11 -3.49 2.12 0.07 -4.99 118.70 109.22 1vk8 s GLU 38 Ca -0.00 0.27 -0.26 0.00 0.36 0.00 0.00 54.97 55.34 1vk8 s GLU 38 Cb 0.01 -0.68 -0.02 0.00 0.26 0.00 0.00 34.13 33.70 1vk8 s GLU 38 CO -0.08 -0.32 0.83 0.08 -0.54 0.00 0.00 175.26 175.24 1vk8 s VAL 39 N 2.08 4.91 0.52 3.70 1.01 -1.26 -1.03 120.40 130.32 1vk8 s VAL 39 Ca 0.05 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.75 1vk8 s VAL 39 Cb -0.12 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1vk8 s VAL 39 CO -0.04 0.10 0.23 -0.83 0.00 0.00 0.00 175.10 174.56 1vk8 s GLY 40 N 1.04 2.63 0.53 4.51 0.00 0.45 -5.00 107.32 111.48 1vk8 s GLY 40 Ca 0.41 -0.99 0.21 0.00 0.00 0.00 0.00 44.72 44.35 1vk8 s GLY 40 CO 0.17 -2.04 2.14 -2.55 0.00 0.00 0.00 173.10 170.82 1vk8 h PRO 41 N 1.05 0.00 0.00 2.90 0.11 -2.04 -3.31 132.00 130.71 1vk8 h PRO 41 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1vk8 h PRO 41 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1vk8 h PRO 41 CO 0.65 0.05 -0.51 -1.13 -0.21 0.00 0.00 178.00 176.85 1vk8 n SER 42 N -4.21 2.08 -3.70 -2.05 3.41 -1.26 -5.09 113.62 102.80 1vk8 n SER 42 Ca -0.03 -0.30 -0.05 0.00 -0.26 0.00 0.00 58.87 58.23 1vk8 n SER 42 Cb 0.13 1.03 -0.01 0.00 -0.26 0.00 0.00 64.21 65.10 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 -1.60 -0.17 -0.12 4.04 2.20 -1.25 -4.72 114.94 113.32 1vk8 s ASN 43 Ca 0.00 -0.54 0.03 0.00 -0.94 0.00 0.00 52.86 51.40 1vk8 s ASN 43 Cb 0.01 0.59 0.01 0.00 -2.00 0.00 0.00 41.25 39.86 1vk8 s ASN 43 CO 0.07 -1.10 -0.20 -0.89 -2.94 0.00 0.00 177.10 172.04 1vk8 s THR 44 N -3.32 1.85 -0.20 0.54 2.01 -0.24 -0.41 115.64 115.87 1vk8 s THR 44 Ca 0.13 -0.86 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 1vk8 s THR 44 Cb -0.03 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1vk8 s THR 44 CO 0.05 0.51 0.10 -0.89 -0.69 0.00 0.00 174.62 173.69 1vk8 s THR 45 N 0.77 5.02 0.09 -0.82 2.01 -0.20 -0.18 115.64 122.33 1vk8 s THR 45 Ca -0.09 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.01 1vk8 s THR 45 Cb -0.16 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1vk8 s THR 45 CO 0.00 0.43 -0.03 0.68 -0.69 0.00 0.00 174.62 175.02 1vk8 s VAL 46 N 0.53 3.85 -0.11 3.82 -7.23 0.41 -0.75 120.40 120.92 1vk8 s VAL 46 Ca 0.05 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1vk8 s VAL 46 Cb -0.12 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 1vk8 s VAL 46 CO 0.00 0.14 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.04 1vk8 s GLU 47 N -2.22 3.18 0.00 4.82 2.12 -0.66 -0.78 118.70 125.17 1vk8 s GLU 47 Ca 0.24 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1vk8 s GLU 47 Cb -0.12 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 31.83 1vk8 s GLU 47 CO 0.16 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.50 1vk8 n GLY 48 N 3.50 -1.07 3.72 -1.50 0.00 -0.84 -3.95 105.19 105.04 1vk8 n GLY 48 Ca -0.19 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.80 4.57 0.13 1.61 -6.30 -1.26 -1.35 118.70 115.29 1vk8 s GLU 49 Ca 0.00 1.52 -0.23 0.00 -2.50 0.00 0.00 54.97 53.76 1vk8 s GLU 49 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 34.13 30.69 1vk8 s GLU 49 CO 0.00 -0.03 1.66 0.35 0.02 0.00 0.00 175.26 177.27 1vk8 h PHE 50 N 6.40 -0.44 -0.66 5.30 3.57 -1.92 -1.35 116.94 127.83 1vk8 h PHE 50 Ca -0.42 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.02 1vk8 h PHE 50 Cb 1.22 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1vk8 h PHE 50 CO 0.67 -0.25 0.09 0.93 -2.23 0.00 0.00 178.31 177.52 1vk8 h GLU 51 N -0.24 1.10 -0.41 1.11 5.08 -1.98 -2.66 114.58 116.58 1vk8 h GLU 51 Ca 0.08 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1vk8 h GLU 51 Cb 0.35 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1vk8 h GLU 51 CO -0.22 1.01 0.27 1.49 -1.00 0.00 0.00 179.01 180.56 1vk8 h GLU 52 N 1.03 0.54 -1.91 2.33 4.81 -1.90 -1.84 114.58 117.63 1vk8 h GLU 52 Ca 0.20 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1vk8 h GLU 52 Cb 0.45 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1vk8 h GLU 52 CO 0.01 0.36 0.00 -0.89 -0.73 0.00 0.00 179.01 177.77 1vk8 n ILE 53 N -4.80 0.00 0.00 2.32 5.41 -0.53 -1.20 119.36 120.55 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 0.03 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 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 0.98 0.00 0.02 4.38 8.00 -0.69 -0.66 116.55 128.57 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 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 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 0.48 -0.66 -1.24 2.47 -1.44 -2.65 114.38 111.33 1vk8 h ARG 56 Ca 0.00 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.54 1vk8 h ARG 56 Cb 0.00 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 1vk8 h ARG 56 CO 0.00 0.60 0.23 0.28 0.56 0.00 0.00 179.97 181.65 1vk8 h VAL 57 N 0.44 1.24 -0.41 2.04 2.07 -1.16 0.15 116.25 120.63 1vk8 h VAL 57 Ca 0.08 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1vk8 h VAL 57 Cb 0.49 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1vk8 h VAL 57 CO 0.03 0.31 0.21 0.11 0.02 0.00 0.00 177.57 178.25 1vk8 h LYS 58 N 0.97 0.42 -0.52 1.57 1.57 -1.75 -1.76 116.57 117.06 1vk8 h LYS 58 Ca 0.22 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1vk8 h LYS 58 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1vk8 h LYS 58 CO -0.01 0.28 0.19 0.93 -0.57 0.00 0.00 179.45 180.26 1vk8 h GLU 59 N 0.43 0.79 -0.40 3.15 5.08 -1.30 -2.94 114.58 119.38 1vk8 h GLU 59 Ca 0.17 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1vk8 h GLU 59 Cb 0.06 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1vk8 h GLU 59 CO -0.11 0.71 0.17 1.25 -1.00 0.00 0.00 179.01 180.04 1vk8 h LEU 60 N 0.71 0.22 -0.58 1.33 5.85 -0.65 -1.03 115.31 121.16 1vk8 h LEU 60 Ca 0.17 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1vk8 h LEU 60 Cb 0.23 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1vk8 h LEU 60 CO -0.01 0.17 0.31 0.00 -0.34 0.00 0.00 178.44 178.57 1vk8 h ALA 61 N 1.23 0.74 -0.43 1.25 0.00 -1.26 -0.65 119.26 120.15 1vk8 h ALA 61 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1vk8 h ALA 61 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1vk8 h ALA 61 CO -0.15 0.27 0.12 -0.09 0.00 0.00 0.00 179.25 179.40 1vk8 h ARG 62 N 0.79 0.68 -0.53 0.00 9.65 -1.33 -2.78 114.38 120.85 1vk8 h ARG 62 Ca 0.20 -0.16 0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1vk8 h ARG 62 Cb 0.05 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 1vk8 h ARG 62 CO -0.03 0.68 0.32 -0.92 2.80 0.00 0.00 179.97 182.82 1vk8 h TYR 63 N 0.56 0.61 0.00 2.20 3.20 -0.93 -2.82 116.97 119.80 1vk8 h TYR 63 Ca 0.14 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1vk8 h TYR 63 Cb 0.29 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1vk8 h TYR 63 CO 0.02 0.35 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.64 1vk8 h LEU 64 N 0.64 0.00 -1.52 2.82 3.38 -0.94 -3.01 115.31 116.68 1vk8 h LEU 64 Ca 0.21 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.44 1vk8 h LEU 64 Cb 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 1vk8 h LEU 64 CO -0.09 0.18 0.67 -0.08 0.09 0.00 0.00 178.44 179.21 1vk8 h GLU 65 N 0.00 0.32 0.00 1.13 4.81 -1.23 0.07 114.58 119.68 1vk8 h GLU 65 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1vk8 h GLU 65 Cb 0.60 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1vk8 h GLU 65 CO 0.02 0.21 -0.02 -0.56 -0.73 0.00 0.00 179.01 177.93 1vk8 h GLN 66 N 0.33 0.00 0.00 1.92 3.07 -1.69 -3.23 115.11 115.50 1vk8 h GLN 66 Ca 0.54 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.96 1vk8 h GLN 66 Cb 1.51 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 29.01 1vk8 h GLN 66 CO -0.21 0.02 -2.24 1.19 0.09 0.00 0.00 178.83 177.69 1vk8 n PHE 67 N -3.14 0.00 -3.60 0.06 3.72 -0.10 -4.95 117.46 109.45 1vk8 n PHE 67 Ca -0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 1vk8 n PHE 67 Cb 0.26 -0.88 -0.12 0.00 -0.94 0.00 0.00 39.48 37.80 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 -2.44 -0.73 -0.76 4.37 0.00 -0.54 -5.02 121.76 116.64 1vk8 s ALA 68 Ca -0.12 0.98 0.26 0.00 0.00 0.00 0.00 51.96 53.08 1vk8 s ALA 68 Cb 0.06 -1.21 0.89 0.00 0.00 0.00 0.00 23.12 22.85 1vk8 s ALA 68 CO 0.70 -0.82 1.80 1.63 0.00 0.00 0.00 175.76 179.06 1vk8 n LYS 69 N 5.36 0.21 -3.76 0.00 4.76 -1.26 -3.97 118.16 119.50 1vk8 n LYS 69 Ca -0.06 0.19 -0.15 0.00 -2.87 0.00 0.00 58.31 55.42 1vk8 n LYS 69 Cb 0.50 -1.75 -0.16 0.00 -1.84 0.00 0.00 35.03 31.77 1vk8 n LYS 69 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vk8 s ARG 70 N -3.10 -0.04 0.01 1.97 6.06 -1.26 -5.03 118.95 117.57 1vk8 s ARG 70 Ca 0.11 0.21 -0.21 0.00 -2.50 0.00 0.00 55.73 53.34 1vk8 s ARG 70 Cb 0.13 -0.27 0.05 0.00 0.06 0.00 0.00 34.95 34.92 1vk8 s ARG 70 CO 0.57 -0.18 0.48 -0.59 -2.50 0.00 0.00 175.30 173.08 1vk8 s PHE 71 N 1.17 -0.38 0.01 5.12 -0.12 -1.26 -0.97 117.98 121.55 1vk8 s PHE 71 Ca -0.08 0.50 -0.23 0.00 -0.05 0.00 0.00 56.93 57.07 1vk8 s PHE 71 Cb -0.13 0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 1vk8 s PHE 71 CO -0.03 -0.57 0.68 0.08 -0.05 0.00 0.00 175.22 175.34 1vk8 s VAL 72 N -1.97 4.83 -0.12 -2.49 1.01 -0.33 -4.96 120.40 116.38 1vk8 s VAL 72 Ca -0.08 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1vk8 s VAL 72 Cb -0.01 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1vk8 s VAL 72 CO 0.02 0.38 -0.11 -0.22 0.00 0.00 0.00 175.10 175.17 1vk8 s LEU 73 N -0.05 1.41 -0.08 3.92 2.96 -1.26 -0.97 118.68 124.60 1vk8 s LEU 73 Ca 0.35 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 1vk8 s LEU 73 Cb -0.19 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 1vk8 s LEU 73 CO 0.20 -0.08 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.82 1vk8 s GLN 74 N 1.53 2.82 -0.12 1.98 -0.21 0.24 -4.98 119.66 120.93 1vk8 s GLN 74 Ca 0.03 -0.87 0.02 0.00 0.02 0.00 0.00 55.36 54.56 1vk8 s GLN 74 Cb -0.13 -2.27 -0.01 0.00 1.00 0.00 0.00 33.01 31.60 1vk8 s GLN 74 CO -0.08 0.30 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.70 1vk8 s LEU 75 N 0.06 2.46 -0.28 2.90 1.43 -1.26 -1.01 118.68 122.98 1vk8 s LEU 75 Ca -0.10 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1vk8 s LEU 75 Cb -0.15 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1vk8 s LEU 75 CO 0.06 0.16 -0.06 -0.62 0.23 0.00 0.00 176.35 176.11 1vk8 s ASP 76 N 0.37 4.58 -0.18 2.29 2.15 -0.19 -4.95 116.67 120.74 1vk8 s ASP 76 Ca -0.14 -1.49 -0.05 0.00 0.43 0.00 0.00 52.55 51.30 1vk8 s ASP 76 Cb -0.17 -1.59 -0.03 0.00 -0.30 0.00 0.00 42.92 40.83 1vk8 s ASP 76 CO 0.07 -0.23 0.00 -0.63 -0.17 0.00 0.00 175.17 174.21 1vk8 s ILE 77 N 1.10 4.13 -0.39 4.11 1.01 -1.26 -0.96 121.20 128.93 1vk8 s ILE 77 Ca -0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 1vk8 s ILE 77 Cb -0.20 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.44 1vk8 s ILE 77 CO -0.05 0.45 0.26 -0.62 0.00 0.00 0.00 174.94 174.99 1vk8 s ASP 78 N 0.65 5.99 -0.22 3.58 -1.08 -0.12 -5.01 116.67 120.46 1vk8 s ASP 78 Ca -0.00 -0.85 -0.03 0.00 -0.52 0.00 0.00 52.55 51.15 1vk8 s ASP 78 Cb -0.14 -2.12 -0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1vk8 s ASP 78 CO 0.02 -0.40 -0.06 -0.47 0.52 0.00 0.00 175.17 174.78 1vk8 s TYR 79 N 1.65 2.95 -0.05 -5.34 6.14 -1.26 -3.17 117.35 118.27 1vk8 s TYR 79 Ca 0.04 -1.06 0.01 0.00 0.64 0.00 0.00 57.07 56.70 1vk8 s TYR 79 Cb -0.19 -2.08 0.02 0.00 0.42 0.00 0.00 41.96 40.13 1vk8 s TYR 79 CO 0.09 -0.59 -0.05 0.21 0.64 0.00 0.00 175.55 175.85 1vk8 s LYS 80 N 1.45 0.94 -0.18 4.97 2.20 -1.26 -5.07 119.74 122.80 1vk8 s LYS 80 Ca 0.05 -0.14 -0.36 0.00 -0.36 0.00 0.00 55.97 55.17 1vk8 s LYS 80 Cb -0.14 -0.93 -0.13 0.00 -1.51 0.00 0.00 37.83 35.12 1vk8 s LYS 80 CO -0.04 -0.08 1.89 0.00 -0.36 0.00 0.00 175.35 176.75 1vk8 n ALA 81 N 4.09 0.62 0.00 3.13 0.00 -1.26 -0.79 120.51 126.30 1vk8 n ALA 81 Ca -0.23 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1vk8 n ALA 81 Cb 0.51 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 4.63 0.73 0.00 0.00 0.00 -1.26 -4.94 105.19 104.35 1vk8 n GLY 82 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 2.46 3.16 -0.02 0.00 0.03 -4.67 105.19 104.15 1vk8 n GLY 83 Ca 0.00 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.32 0.05 0.24 -0.61 1.10 -0.20 -4.82 121.20 114.64 1vk8 s ILE 84 Ca 0.00 -0.38 0.06 0.00 -0.51 0.00 0.00 60.65 59.82 1vk8 s ILE 84 Cb 0.00 -0.47 -0.05 0.00 0.15 0.00 0.00 42.46 42.09 1vk8 s ILE 84 CO 0.00 -0.21 -0.08 0.42 -2.11 0.00 0.00 174.94 172.96 1vk8 s THR 85 N -0.84 1.57 0.16 4.00 -4.23 -1.26 -3.87 115.64 111.16 1vk8 s THR 85 Ca -0.09 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.12 1vk8 s THR 85 Cb -0.05 -2.29 0.05 0.00 1.34 0.00 0.00 72.50 71.55 1vk8 s THR 85 CO 0.02 -0.41 1.72 0.40 -0.54 0.00 0.00 174.62 175.80 1vk8 h ILE 86 N 2.41 0.77 -0.80 2.99 2.04 -1.94 -2.92 117.51 120.06 1vk8 h ILE 86 Ca -0.39 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1vk8 h ILE 86 Cb 1.23 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1vk8 h ILE 86 CO 0.65 0.03 0.53 -0.08 0.00 0.00 0.00 178.15 179.28 1vk8 h GLU 87 N 0.15 1.05 -0.03 2.37 4.81 -1.97 -0.02 114.58 120.94 1vk8 h GLU 87 Ca 0.18 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1vk8 h GLU 87 Cb 0.23 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1vk8 h GLU 87 CO -0.27 0.69 -0.01 0.93 -0.73 0.00 0.00 179.01 179.63 1vk8 h GLU 88 N 1.08 0.04 0.05 1.92 5.08 -1.94 -0.90 114.58 119.91 1vk8 h GLU 88 Ca 0.30 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.35 1vk8 h GLU 88 Cb -0.11 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1vk8 h GLU 88 CO -0.07 0.05 -1.71 0.87 -1.00 0.00 0.00 179.01 177.15 1vk8 h LYS 89 N 0.04 0.11 0.00 2.33 1.57 -1.03 -3.43 116.57 116.16 1vk8 h LYS 89 Ca 0.01 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1vk8 h LYS 89 Cb 0.04 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1vk8 h LYS 89 CO 0.00 0.81 -1.31 1.33 -0.57 0.00 0.00 179.45 179.72 1vk8 n VAL 90 N -3.24 0.15 0.23 0.50 0.24 -0.15 -4.77 118.33 111.29 1vk8 n VAL 90 Ca -0.19 -0.17 0.07 0.00 -2.04 0.00 0.00 64.34 62.00 1vk8 n VAL 90 Cb 1.04 -0.13 0.55 0.00 -1.47 0.00 0.00 33.84 33.83 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 0.00 -0.41 -1.34 4.64 -1.37 -0.17 113.55 114.89 1vk8 h SER 91 Ca -0.06 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1vk8 h SER 91 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1vk8 h SER 91 CO 0.00 0.17 0.28 0.50 -0.87 0.00 0.00 176.83 176.91 1vk8 h LYS 92 N 0.00 0.54 -0.60 4.77 3.64 -1.86 -2.64 116.57 120.42 1vk8 h LYS 92 Ca -0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1vk8 h LYS 92 Cb 0.31 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1vk8 h LYS 92 CO 0.02 0.36 0.06 0.66 -2.27 0.00 0.00 179.45 178.28 1vk8 n TYR 93 N -4.47 2.14 -1.15 1.91 4.01 -0.09 -5.24 117.16 114.27 1vk8 n TYR 93 Ca 0.03 -0.84 0.00 0.00 -0.16 0.00 0.00 57.90 56.93 1vk8 n TYR 93 Cb 0.06 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 1vk8 n TYR 93 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94