#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk0 n ALA 2 N 0.00 -2.50 -3.48 -1.46 0.00 -1.26 -5.02 120.51 106.79 1vk0 n ALA 2 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 53.80 1vk0 n ALA 2 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 1vk0 n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1vk0 s SER 3 N -0.69 -0.41 -1.28 0.00 1.04 -1.26 -5.06 113.70 106.05 1vk0 s SER 3 Ca 0.69 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.73 1vk0 s SER 3 Cb -0.95 0.62 0.15 0.00 0.10 0.00 0.00 66.02 65.94 1vk0 s SER 3 CO 0.56 -1.08 1.79 0.49 0.98 0.00 0.00 173.24 175.98 1vk0 n PHE 4 N -0.38 3.63 -0.77 5.02 3.01 -1.26 -4.76 117.46 121.96 1vk0 n PHE 4 Ca -0.12 -2.96 0.08 0.00 1.01 0.00 0.00 57.45 55.46 1vk0 n PHE 4 Cb 0.63 -2.11 0.39 0.00 -0.01 0.00 0.00 39.48 38.38 1vk0 n PHE 4 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1vk0 n ASP 5 N 4.79 5.31 -2.51 4.37 3.85 -1.23 -4.17 116.55 126.96 1vk0 n ASP 5 Ca 0.41 -2.69 0.00 0.00 -0.71 0.00 0.00 54.79 51.79 1vk0 n ASP 5 Cb 0.39 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 1vk0 n ASP 5 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vk0 n GLY 6 N 0.90 -1.13 3.75 6.12 0.00 -0.45 -5.02 105.19 109.35 1vk0 n GLY 6 Ca 0.27 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1vk0 n GLY 6 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vk0 s PRO 7 N -1.66 2.92 -0.08 1.61 0.02 -1.26 -4.50 135.00 132.05 1vk0 s PRO 7 Ca 0.00 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.10 1vk0 s PRO 7 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1vk0 s PRO 7 CO 0.00 -1.30 -0.20 0.21 -0.33 0.00 0.00 177.00 175.38 1vk0 s LYS 8 N -3.18 2.46 0.05 5.54 2.20 -1.26 -2.42 119.74 123.13 1vk0 s LYS 8 Ca 0.77 -0.71 0.09 0.00 -0.36 0.00 0.00 55.97 55.76 1vk0 s LYS 8 Cb -0.36 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 1vk0 s LYS 8 CO 0.40 0.16 -0.26 -0.06 -0.36 0.00 0.00 175.35 175.23 1vk0 s PHE 9 N 0.35 2.32 0.53 4.03 0.40 -0.22 -4.96 117.98 120.43 1vk0 s PHE 9 Ca -0.15 -0.41 0.09 0.00 -0.60 0.00 0.00 56.93 55.86 1vk0 s PHE 9 Cb -0.16 -1.39 0.06 0.00 0.51 0.00 0.00 43.02 42.04 1vk0 s PHE 9 CO 0.06 0.13 0.72 0.21 0.70 0.00 0.00 175.22 177.04 1vk0 s LYS 10 N -1.25 2.47 0.03 0.44 2.20 -1.26 -0.97 119.74 121.39 1vk0 s LYS 10 Ca 0.12 -1.49 0.23 0.00 -0.36 0.00 0.00 55.97 54.47 1vk0 s LYS 10 Cb -0.10 -2.68 0.12 0.00 -1.51 0.00 0.00 37.83 33.66 1vk0 s LYS 10 CO 0.02 -0.68 1.11 0.25 -0.36 0.00 0.00 175.35 175.70 1vk0 n THR 12 N -2.13 0.09 -0.32 3.43 -2.24 -1.26 -4.94 114.28 106.91 1vk0 n THR 12 Ca 0.13 -0.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1vk0 n THR 12 Cb 0.61 0.38 0.27 0.00 -2.10 0.00 0.00 70.33 69.49 1vk0 n THR 12 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vk0 n ASP 13 N -1.73 3.65 0.00 3.42 3.85 -1.26 -4.95 116.55 119.52 1vk0 n ASP 13 Ca 0.03 -2.02 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 1vk0 n ASP 13 Cb 0.39 -0.41 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 1vk0 n ASP 13 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vk0 n GLY 14 N 1.25 2.19 3.65 6.12 0.00 -1.26 -5.04 105.19 112.09 1vk0 n GLY 14 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1vk0 n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vk0 s SER 15 N -3.02 2.57 0.10 1.61 1.04 -1.26 -4.99 113.70 109.76 1vk0 s SER 15 Ca 0.00 1.47 0.10 0.00 0.48 0.00 0.00 55.95 57.99 1vk0 s SER 15 Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.94 1vk0 s SER 15 CO 0.00 -3.20 -0.26 -0.31 0.98 0.00 0.00 173.24 170.45 1vk0 s TYR 16 N -2.81 2.20 -0.17 5.02 1.51 -1.26 -4.41 117.35 117.43 1vk0 s TYR 16 Ca 0.65 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1vk0 s TYR 16 Cb -0.20 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 1vk0 s TYR 16 CO 0.59 0.26 -0.09 0.08 -1.11 0.00 0.00 175.55 175.28 1vk0 s VAL 17 N -1.01 3.20 0.32 0.71 1.01 -0.15 -4.75 120.40 119.73 1vk0 s VAL 17 Ca 0.12 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 1vk0 s VAL 17 Cb -0.10 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 1vk0 s VAL 17 CO 0.05 0.48 0.70 -1.10 0.00 0.00 0.00 175.10 175.23 1vk0 s GLN 18 N 0.88 3.93 0.19 2.72 -0.21 -0.61 -1.06 119.66 125.51 1vk0 s GLN 18 Ca -0.02 0.56 0.03 0.00 0.02 0.00 0.00 55.36 55.94 1vk0 s GLN 18 Cb -0.15 -2.47 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 1vk0 s GLN 18 CO 0.00 0.16 -0.02 0.95 -2.12 0.00 0.00 175.29 174.26 1vk0 s THR 19 N -2.01 0.93 -0.19 -0.19 -4.23 -1.02 -0.97 115.64 107.96 1vk0 s THR 19 Ca 0.52 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.90 1vk0 s THR 19 Cb -0.10 -2.16 0.06 0.00 1.34 0.00 0.00 72.50 71.64 1vk0 s THR 19 CO 0.20 -0.47 0.47 -0.75 -0.54 0.00 0.00 174.62 173.53 1vk0 s LYS 20 N -3.86 0.47 -0.20 3.99 2.47 -0.66 -1.35 119.74 120.61 1vk0 s LYS 20 Ca 0.24 0.83 0.00 0.00 -1.56 0.00 0.00 55.97 55.48 1vk0 s LYS 20 Cb 0.05 0.06 0.02 0.00 -1.46 0.00 0.00 37.83 36.50 1vk0 s LYS 20 CO 0.05 -0.14 -0.16 0.99 0.16 0.00 0.00 175.35 176.26 1vk0 s THR 21 N 1.20 2.33 -0.08 3.43 2.01 -1.26 -0.28 115.64 122.98 1vk0 s THR 21 Ca -0.08 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1vk0 s THR 21 Cb -0.07 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1vk0 s THR 21 CO -0.11 0.44 -0.15 0.27 -0.69 0.00 0.00 174.62 174.38 1vk0 s ILE 22 N 1.30 2.95 -0.47 1.82 -5.25 -0.67 -4.99 121.20 115.89 1vk0 s ILE 22 Ca 0.03 -0.74 -0.23 0.00 -0.99 0.00 0.00 60.65 58.73 1vk0 s ILE 22 Cb -0.14 -2.18 0.03 0.00 2.95 0.00 0.00 42.46 43.12 1vk0 s ILE 22 CO -0.10 0.56 0.78 -1.81 -1.79 0.00 0.00 174.94 172.58 1vk0 s ASP 23 N -0.27 6.37 -0.38 4.36 1.01 -1.26 -0.62 116.67 125.88 1vk0 s ASP 23 Ca 0.02 -0.25 -0.25 0.00 0.71 0.00 0.00 52.55 52.78 1vk0 s ASP 23 Cb -0.13 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1vk0 s ASP 23 CO 0.03 -0.95 0.86 -0.69 0.21 0.00 0.00 175.17 174.63 1vk0 s VAL 24 N 3.29 4.64 0.00 -1.27 1.01 0.47 -4.93 120.40 123.61 1vk0 s VAL 24 Ca 0.28 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1vk0 s VAL 24 Cb -0.13 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1vk0 s VAL 24 CO 0.21 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1vk0 n GLY 25 N 4.51 1.35 0.00 4.51 0.00 -1.26 -3.82 105.19 110.48 1vk0 n GLY 25 Ca 0.05 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.21 1vk0 n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vk0 n SER 26 N -0.49 0.00 -0.00 1.61 3.41 -1.26 -3.98 113.62 112.92 1vk0 n SER 26 Ca 0.00 0.26 -0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1vk0 n SER 26 Cb 0.00 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1vk0 n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1vk0 n SER 27 N -1.41 4.92 -4.66 4.04 2.88 -1.26 -4.69 113.62 113.44 1vk0 n SER 27 Ca 0.08 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.15 1vk0 n SER 27 Cb 0.23 0.72 -0.04 0.00 -0.75 0.00 0.00 64.21 64.37 1vk0 n SER 27 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1vk0 n THR 28 N -1.80 0.16 -3.20 2.46 -1.04 -1.26 -4.95 114.28 104.65 1vk0 n THR 28 Ca -0.00 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1vk0 n THR 28 Cb 0.30 -1.42 -0.07 0.00 -1.82 0.00 0.00 70.33 67.33 1vk0 n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1vk0 s ASP 29 N 0.74 6.23 0.00 8.00 3.68 -1.26 -4.86 116.67 129.20 1vk0 s ASP 29 Ca 0.78 -0.78 0.26 0.00 2.13 0.00 0.00 52.55 54.94 1vk0 s ASP 29 Cb -0.72 -2.27 0.63 0.00 -1.45 0.00 0.00 42.92 39.11 1vk0 s ASP 29 CO 0.41 -0.78 1.49 2.30 0.13 0.00 0.00 175.17 178.72 1vk0 n ILE 30 N 5.59 0.00 -0.25 4.11 -5.35 -1.26 -4.44 119.36 117.76 1vk0 n ILE 30 Ca -0.06 -0.14 0.05 0.00 -0.27 0.00 0.00 62.75 62.33 1vk0 n ILE 30 Cb 0.46 0.51 0.16 0.00 -1.74 0.00 0.00 39.64 39.04 1vk0 n ILE 30 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1vk0 h SER 31 N 1.31 -0.24 -0.24 7.28 0.02 -1.92 -1.97 113.55 117.78 1vk0 h SER 31 Ca 0.00 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1vk0 h SER 31 Cb 0.54 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1vk0 h SER 31 CO 0.00 -0.14 0.11 -0.65 -1.14 0.00 0.00 176.83 175.01 1vk0 h PRO 32 N 0.15 0.42 0.26 3.45 0.11 -1.99 0.41 132.00 134.80 1vk0 h PRO 32 Ca 0.41 -0.05 -0.34 0.00 0.11 0.00 0.00 66.00 66.13 1vk0 h PRO 32 Cb 0.72 -0.08 0.04 0.00 0.11 0.00 0.00 31.00 31.78 1vk0 h PRO 32 CO -0.61 0.37 -1.49 1.88 -0.21 0.00 0.00 178.00 177.94 1vk0 h TYR 33 N 0.42 0.99 -0.46 0.65 0.05 -1.69 -1.92 116.97 115.01 1vk0 h TYR 33 Ca 0.11 -0.72 0.04 0.00 0.05 0.00 0.00 58.73 58.20 1vk0 h TYR 33 Cb 0.11 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 1vk0 h TYR 33 CO 0.00 1.57 0.22 -0.07 -1.05 0.00 0.00 178.16 178.83 1vk0 h LEU 34 N 0.15 0.31 -0.71 3.88 3.38 -1.05 -0.65 115.31 120.62 1vk0 h LEU 34 Ca -0.26 0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.84 1vk0 h LEU 34 Cb 2.18 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.83 1vk0 h LEU 34 CO 0.28 0.22 0.34 0.28 0.09 0.00 0.00 178.44 179.64 1vk0 h SER 35 N 0.44 0.41 -0.21 -0.43 0.02 -0.16 0.33 113.55 113.95 1vk0 h SER 35 Ca 0.20 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1vk0 h SER 35 Cb 0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1vk0 h SER 35 CO -0.15 0.23 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.51 1vk0 h LEU 36 N 0.56 0.64 -0.20 5.07 3.38 -0.90 0.14 115.31 124.00 1vk0 h LEU 36 Ca 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1vk0 h LEU 36 Cb 0.41 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1vk0 h LEU 36 CO -0.29 0.84 0.07 0.40 0.09 0.00 0.00 178.44 179.54 1vk0 h ILE 37 N 0.58 1.18 -0.27 1.22 1.08 -0.05 -0.12 117.51 121.12 1vk0 h ILE 37 Ca 0.09 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1vk0 h ILE 37 Cb 0.64 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 1vk0 h ILE 37 CO 0.05 0.17 0.14 -0.09 -0.69 0.00 0.00 178.15 177.73 1vk0 h ARG 38 N 0.16 0.38 -0.26 2.37 2.43 -0.47 0.93 114.38 119.93 1vk0 h ARG 38 Ca 0.07 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1vk0 h ARG 38 Cb 0.21 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1vk0 h ARG 38 CO -0.00 0.35 -0.05 1.49 -1.51 0.00 0.00 179.97 180.25 1vk0 h GLU 39 N 0.32 0.02 -0.69 0.20 4.81 -0.70 0.91 114.58 119.46 1vk0 h GLU 39 Ca 0.10 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1vk0 h GLU 39 Cb 0.08 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1vk0 h GLU 39 CO -0.01 0.01 0.20 0.22 -0.73 0.00 0.00 179.01 178.70 1vk0 h ASP 40 N 0.02 1.00 -0.36 1.04 1.82 -0.39 -0.23 116.42 119.31 1vk0 h ASP 40 Ca 0.12 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1vk0 h ASP 40 Cb 0.18 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 1vk0 h ASP 40 CO -0.25 0.94 0.20 -1.28 -1.61 0.00 0.00 179.24 177.25 1vk0 h SER 41 N 1.03 0.45 -0.05 2.28 0.87 -0.17 0.72 113.55 118.67 1vk0 h SER 41 Ca 0.22 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1vk0 h SER 41 Cb 0.31 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1vk0 h SER 41 CO -0.01 0.39 -0.07 0.40 -0.53 0.00 0.00 176.83 177.01 1vk0 h ILE 42 N 0.46 1.40 0.02 2.23 2.04 -0.37 0.20 117.51 123.49 1vk0 h ILE 42 Ca 0.13 -1.32 -0.25 0.00 1.00 0.00 0.00 64.86 64.42 1vk0 h ILE 42 Cb 0.04 2.17 0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1vk0 h ILE 42 CO -0.02 0.36 -1.03 -0.07 0.00 0.00 0.00 178.15 177.39 1vk0 h LEU 43 N -0.34 0.72 0.00 1.44 3.38 -1.11 -3.40 115.31 116.00 1vk0 h LEU 43 Ca 0.01 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1vk0 h LEU 43 Cb 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1vk0 h LEU 43 CO 0.02 1.40 -0.59 0.59 0.09 0.00 0.00 178.44 179.94 1vk0 n ASN 44 N -3.79 2.04 -0.14 -0.43 3.02 0.13 -4.84 115.26 111.25 1vk0 n ASN 44 Ca -0.09 -0.31 0.03 0.00 -0.03 0.00 0.00 54.58 54.18 1vk0 n ASN 44 Cb 0.88 1.06 0.06 0.00 -0.61 0.00 0.00 39.78 41.17 1vk0 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vk0 n GLY 45 N 1.64 3.42 3.10 7.41 0.00 -0.50 -4.85 105.19 115.41 1vk0 n GLY 45 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1vk0 n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vk0 n ASN 46 N -0.57 -5.35 -1.90 1.61 5.03 -0.98 -2.98 115.26 110.12 1vk0 n ASN 46 Ca 0.06 -0.30 -0.19 0.00 0.87 0.00 0.00 54.58 55.01 1vk0 n ASN 46 Cb 0.39 -4.35 -0.04 0.00 -1.02 0.00 0.00 39.78 34.75 1vk0 n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1vk0 n ARG 47 N -3.90 -1.46 -3.78 3.52 1.74 -0.04 -4.94 116.66 107.80 1vk0 n ARG 47 Ca -0.09 1.04 -0.36 0.00 -0.77 0.00 0.00 57.85 57.68 1vk0 n ARG 47 Cb 0.60 -5.51 -0.07 0.00 -1.02 0.00 0.00 32.46 26.45 1vk0 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vk0 s ALA 48 N -2.86 3.74 -0.24 7.54 0.00 -1.16 -0.73 121.76 128.05 1vk0 s ALA 48 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1vk0 s ALA 48 Cb 0.00 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 21.04 1vk0 s ALA 48 CO 0.00 0.30 -0.05 0.08 0.00 0.00 0.00 175.76 176.09 1vk0 s VAL 49 N -0.07 3.02 0.20 0.00 1.01 -0.29 -4.78 120.40 119.50 1vk0 s VAL 49 Ca 0.10 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1vk0 s VAL 49 Cb -0.11 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1vk0 s VAL 49 CO -0.00 0.26 0.73 -0.63 0.00 0.00 0.00 175.10 175.46 1vk0 s ILE 50 N 1.37 4.53 0.07 2.22 1.09 0.71 -0.99 121.20 130.20 1vk0 s ILE 50 Ca 0.02 1.37 -0.06 0.00 -1.10 0.00 0.00 60.65 60.88 1vk0 s ILE 50 Cb -0.16 -3.92 -0.01 0.00 -1.06 0.00 0.00 42.46 37.31 1vk0 s ILE 50 CO -0.04 0.30 0.12 0.72 -0.10 0.00 0.00 174.94 175.94 1vk0 s PHE 51 N -1.42 0.26 0.04 3.97 -0.12 -0.00 -0.25 117.98 120.46 1vk0 s PHE 51 Ca 0.41 -0.72 -0.10 0.00 -0.05 0.00 0.00 56.93 56.47 1vk0 s PHE 51 Cb -0.18 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.05 1vk0 s PHE 51 CO 0.22 -0.48 0.20 0.34 -0.05 0.00 0.00 175.22 175.45 1vk0 s ASP 52 N -2.82 0.01 0.09 1.98 -1.08 -0.70 -4.51 116.67 109.64 1vk0 s ASP 52 Ca 0.05 -0.33 0.07 0.00 -0.52 0.00 0.00 52.55 51.83 1vk0 s ASP 52 Cb 0.05 0.29 -0.03 0.00 -1.46 0.00 0.00 42.92 41.77 1vk0 s ASP 52 CO -0.10 -0.55 -0.19 0.68 0.52 0.00 0.00 175.17 175.53 1vk0 s VAL 53 N -2.44 1.53 -0.05 1.11 -7.23 -1.26 -0.96 120.40 111.08 1vk0 s VAL 53 Ca -0.06 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1vk0 s VAL 53 Cb -0.02 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 35.53 1vk0 s VAL 53 CO -0.03 -0.12 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.26 1vk0 s TYR 54 N -1.21 0.98 -0.02 2.82 1.51 0.27 -4.99 117.35 116.69 1vk0 s TYR 54 Ca 0.04 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1vk0 s TYR 54 Cb -0.10 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1vk0 s TYR 54 CO 0.04 -0.22 -0.04 -1.58 -1.11 0.00 0.00 175.55 172.64 1vk0 s TRP 55 N 0.81 2.99 -0.34 2.71 0.52 -1.26 -0.10 118.94 124.28 1vk0 s TRP 55 Ca -0.13 0.04 -0.19 0.00 0.02 0.00 0.00 56.10 55.84 1vk0 s TRP 55 Cb -0.15 -1.67 -0.00 0.00 -1.15 0.00 0.00 33.47 30.50 1vk0 s TRP 55 CO 0.01 0.41 0.58 0.34 0.02 0.00 0.00 176.95 178.31 1vk0 s ASP 56 N -1.28 6.40 -0.16 2.95 3.68 0.19 -4.81 116.67 123.65 1vk0 s ASP 56 Ca 0.16 0.18 -0.26 0.00 2.13 0.00 0.00 52.55 54.76 1vk0 s ASP 56 Cb -0.11 -2.30 -0.01 0.00 -1.45 0.00 0.00 42.92 39.04 1vk0 s ASP 56 CO 0.07 -0.51 0.87 0.68 0.13 0.00 0.00 175.17 176.41 1vk0 s VAL 57 N 2.55 4.86 0.30 1.11 -7.23 -1.26 -1.01 120.40 119.71 1vk0 s VAL 57 Ca 0.22 1.73 0.11 0.00 -1.81 0.00 0.00 61.98 62.22 1vk0 s VAL 57 Cb -0.15 -4.18 -0.05 0.00 0.56 0.00 0.00 36.38 32.56 1vk0 s VAL 57 CO 0.13 0.02 -0.10 -0.83 -0.31 0.00 0.00 175.10 174.01 1vk0 s GLY 58 N 1.13 1.91 -0.35 2.32 0.00 -1.04 -4.97 107.32 106.32 1vk0 s GLY 58 Ca 0.40 -1.87 0.03 0.00 0.00 0.00 0.00 44.72 43.28 1vk0 s GLY 58 CO 0.13 -1.91 0.06 -1.36 0.00 0.00 0.00 173.10 170.03 1vk0 s PHE 59 N -2.48 3.69 0.00 1.90 2.99 -1.26 -4.48 117.98 118.33 1vk0 s PHE 59 Ca 0.32 -2.82 0.00 0.00 0.00 0.00 0.00 56.93 54.42 1vk0 s PHE 59 Cb -0.03 -2.89 0.00 0.00 0.00 0.00 0.00 43.02 40.10 1vk0 s PHE 59 CO 0.17 -0.95 0.00 2.41 -0.00 0.00 0.00 175.22 176.86 1vk0 n THR 66 N 4.34 0.00 0.29 0.64 -1.04 -1.26 -4.74 114.28 112.50 1vk0 n THR 66 Ca 0.01 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.19 1vk0 n THR 66 Cb 0.42 0.00 0.81 0.00 -1.82 0.00 0.00 70.33 69.74 1vk0 n THR 66 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1vk0 h LYS 67 N 0.30 0.00 -0.02 -2.82 6.56 -2.05 -1.79 116.57 116.74 1vk0 h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1vk0 h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1vk0 h LYS 67 CO 0.00 0.00 -0.09 0.25 -2.06 0.00 0.00 179.45 177.55 1vk0 n THR 68 N -2.70 0.00 0.65 -0.16 -2.24 -1.26 -4.22 114.28 104.36 1vk0 n THR 68 Ca -0.01 -0.36 0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1vk0 n THR 68 Cb 0.13 1.06 0.45 0.00 -2.10 0.00 0.00 70.33 69.88 1vk0 n THR 68 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vk0 n SER 69 N 0.61 0.21 0.02 3.42 3.41 -0.67 -1.63 113.62 119.00 1vk0 n SER 69 Ca 0.15 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 1vk0 n SER 69 Cb 0.48 -0.59 0.42 0.00 -0.26 0.00 0.00 64.21 64.27 1vk0 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vk0 n GLY 70 N 0.63 -1.21 3.75 5.00 0.00 -1.26 -4.87 105.19 107.23 1vk0 n GLY 70 Ca 0.05 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1vk0 n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vk0 s TRP 71 N -3.05 3.73 -0.02 1.61 0.52 -0.65 -2.51 118.94 118.58 1vk0 s TRP 71 Ca 0.09 1.75 0.03 0.00 0.02 0.00 0.00 56.10 57.99 1vk0 s TRP 71 Cb 0.12 -3.17 -0.00 0.00 -1.15 0.00 0.00 33.47 29.27 1vk0 s TRP 71 CO 0.37 -0.19 -0.12 -1.12 0.02 0.00 0.00 176.95 175.91 1vk0 s SER 72 N -0.72 1.52 -0.31 2.95 0.01 -0.18 -4.93 113.70 112.04 1vk0 s SER 72 Ca 0.45 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 57.18 1vk0 s SER 72 Cb -0.29 -0.33 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 1vk0 s SER 72 CO 0.36 0.12 1.80 -0.22 0.41 0.00 0.00 173.24 175.71 1vk0 s LEU 73 N -0.01 3.55 -0.15 2.44 2.96 -1.26 0.53 118.68 126.75 1vk0 s LEU 73 Ca -0.01 1.39 0.04 0.00 -0.22 0.00 0.00 54.13 55.33 1vk0 s LEU 73 Cb -0.08 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.86 1vk0 s LEU 73 CO 0.00 -1.66 0.23 -0.24 -1.32 0.00 0.00 176.35 173.37 1vk0 n SER 74 N 10.09 1.45 -3.61 3.68 2.88 0.85 -4.75 113.62 124.22 1vk0 n SER 74 Ca 0.23 0.13 -0.11 0.00 -1.33 0.00 0.00 58.87 57.79 1vk0 n SER 74 Cb 0.46 -0.25 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 1vk0 n SER 74 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1vk0 s SER 75 N -6.43 -0.32 -0.05 -3.46 1.04 -0.73 -1.03 113.70 102.73 1vk0 s SER 75 Ca -0.19 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1vk0 s SER 75 Cb 0.07 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1vk0 s SER 75 CO 0.75 -0.92 -0.11 -0.69 0.98 0.00 0.00 173.24 173.25 1vk0 s VAL 76 N -3.81 0.98 -0.16 5.02 1.01 -0.56 -0.57 120.40 122.32 1vk0 s VAL 76 Ca 0.04 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1vk0 s VAL 76 Cb 0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1vk0 s VAL 76 CO -0.10 0.31 0.05 -0.75 0.00 0.00 0.00 175.10 174.61 1vk0 s LYS 77 N 0.47 3.77 -0.15 2.72 2.20 -0.14 -0.38 119.74 128.23 1vk0 s LYS 77 Ca -0.09 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1vk0 s LYS 77 Cb -0.13 -3.13 0.03 0.00 -1.51 0.00 0.00 37.83 33.08 1vk0 s LYS 77 CO 0.02 0.38 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.76 1vk0 s LEU 78 N 0.05 1.70 -0.04 5.43 1.43 -0.31 -1.73 118.68 125.20 1vk0 s LEU 78 Ca 0.05 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1vk0 s LEU 78 Cb -0.12 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 1vk0 s LEU 78 CO 0.01 -0.08 -0.21 -0.44 0.23 0.00 0.00 176.35 175.86 1vk0 s SER 79 N 1.50 2.61 0.39 2.29 0.01 0.66 -0.32 113.70 120.84 1vk0 s SER 79 Ca 0.04 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.91 1vk0 s SER 79 Cb -0.13 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1vk0 s SER 79 CO -0.10 0.22 0.08 0.42 0.41 0.00 0.00 173.24 174.27 1vk0 s THR 80 N -0.17 0.95 0.01 1.44 -4.23 0.23 -0.21 115.64 113.66 1vk0 s THR 80 Ca -0.01 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1vk0 s THR 80 Cb -0.12 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.21 1vk0 s THR 80 CO 0.02 0.00 0.09 -1.14 -0.54 0.00 0.00 174.62 173.05 1vk0 n ARG 81 N -0.88 -0.03 -0.00 3.99 3.00 -1.26 -2.48 116.66 119.00 1vk0 n ARG 81 Ca -0.06 0.09 0.04 0.00 -0.00 0.00 0.00 57.85 57.92 1vk0 n ARG 81 Cb 0.66 -0.13 -0.06 0.00 0.00 0.00 0.00 32.46 32.93 1vk0 n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1vk0 n ASN 82 N -4.07 0.88 -4.23 6.15 3.02 -1.26 -4.88 115.26 110.87 1vk0 n ASN 82 Ca 0.00 -0.58 -0.23 0.00 -0.03 0.00 0.00 54.58 53.74 1vk0 n ASN 82 Cb 0.02 1.08 -0.13 0.00 -0.61 0.00 0.00 39.78 40.13 1vk0 n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vk0 s LEU 83 N -2.66 2.22 -0.12 3.41 1.43 -1.04 -1.57 118.68 120.35 1vk0 s LEU 83 Ca 0.02 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1vk0 s LEU 83 Cb 0.07 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.52 1vk0 s LEU 83 CO 0.38 0.08 0.01 0.00 0.23 0.00 0.00 176.35 177.05 1vk0 s LEU 85 N 1.92 3.34 -0.21 0.00 2.96 0.56 -1.65 118.68 125.59 1vk0 s LEU 85 Ca 0.03 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1vk0 s LEU 85 Cb -0.14 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.79 1vk0 s LEU 85 CO -0.07 0.21 -0.15 0.12 -1.32 0.00 0.00 176.35 175.14 1vk0 s PHE 86 N 0.14 2.84 -0.24 5.38 5.36 0.61 -1.16 117.98 130.90 1vk0 s PHE 86 Ca -0.00 -1.85 -0.08 0.00 -0.96 0.00 0.00 56.93 54.04 1vk0 s PHE 86 Cb -0.13 -1.85 -0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1vk0 s PHE 86 CO 0.02 -0.81 0.09 -0.51 -1.46 0.00 0.00 175.22 172.55 1vk0 s LEU 87 N 1.26 3.57 -0.25 6.12 1.43 0.48 -1.67 118.68 129.62 1vk0 s LEU 87 Ca -0.01 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 1vk0 s LEU 87 Cb -0.16 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 1vk0 s LEU 87 CO -0.09 -0.01 0.15 -0.13 0.23 0.00 0.00 176.35 176.50 1vk0 s ARG 88 N 1.48 3.97 0.08 1.70 0.52 0.21 -1.49 118.95 125.42 1vk0 s ARG 88 Ca 0.06 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 1vk0 s ARG 88 Cb -0.15 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 1vk0 s ARG 88 CO 0.05 -0.04 0.10 -0.51 0.02 0.00 0.00 175.30 174.92 1vk0 s LEU 89 N 1.31 3.86 0.84 2.53 1.43 -0.20 -0.39 118.68 128.07 1vk0 s LEU 89 Ca 0.07 0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1vk0 s LEU 89 Cb -0.14 -2.53 0.15 0.00 0.03 0.00 0.00 46.19 43.70 1vk0 s LEU 89 CO 0.06 0.16 1.16 -2.16 0.23 0.00 0.00 176.35 175.81 1vk0 s PRO 90 N -2.45 1.25 -0.13 1.29 0.04 -1.25 -4.85 135.00 128.89 1vk0 s PRO 90 Ca 0.30 -0.64 -0.03 0.00 0.04 0.00 0.00 61.00 60.67 1vk0 s PRO 90 Cb -0.12 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1vk0 s PRO 90 CO 0.23 -1.89 0.04 0.21 0.04 0.00 0.00 177.00 175.62 1vk0 s LYS 91 N -5.53 0.45 0.80 4.56 2.20 -1.26 -4.18 119.74 116.78 1vk0 s LYS 91 Ca 0.69 -0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 56.15 1vk0 s LYS 91 Cb -0.05 -1.49 0.15 0.00 -1.51 0.00 0.00 37.83 34.93 1vk0 s LYS 91 CO 0.49 -0.49 1.11 -1.25 -0.36 0.00 0.00 175.35 174.84 1vk0 s PRO 92 N 1.99 1.34 0.55 4.03 0.04 -1.26 -5.14 135.00 136.55 1vk0 s PRO 92 Ca 0.02 -0.82 -0.19 0.00 0.04 0.00 0.00 61.00 60.05 1vk0 s PRO 92 Cb -0.15 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 1vk0 s PRO 92 CO -0.07 -1.78 1.14 -0.06 0.04 0.00 0.00 177.00 176.28 1vk0 s PHE 93 N -3.41 2.62 0.49 0.56 0.08 -1.26 -5.07 117.98 111.99 1vk0 s PHE 93 Ca 0.69 1.54 0.06 0.00 0.12 0.00 0.00 56.93 59.33 1vk0 s PHE 93 Cb -0.05 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 1vk0 s PHE 93 CO 0.47 -1.69 0.32 -1.01 -0.10 0.00 0.00 175.22 173.22 1vk0 s HIS 94 N -1.75 2.04 0.53 0.36 3.76 -1.26 -5.02 115.29 113.95 1vk0 s HIS 94 Ca 0.73 -0.74 0.29 0.00 -0.15 0.00 0.00 55.06 55.20 1vk0 s HIS 94 Cb -0.25 -1.95 1.44 0.00 1.11 0.00 0.00 32.58 32.94 1vk0 s HIS 94 CO 0.28 -0.22 1.93 -0.44 -0.85 0.00 0.00 174.74 175.44 1vk0 h ASP 95 N 0.99 0.01 0.65 1.40 5.19 -1.97 0.19 116.42 122.88 1vk0 h ASP 95 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1vk0 h ASP 95 Cb 1.29 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1vk0 h ASP 95 CO 0.61 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.28 1vk0 n ASN 96 N -4.31 0.30 -0.04 6.45 6.94 -1.26 -1.08 115.26 122.25 1vk0 n ASN 96 Ca 0.15 0.57 0.14 0.00 -0.02 0.00 0.00 54.58 55.42 1vk0 n ASN 96 Cb 0.82 -0.64 0.65 0.00 -2.36 0.00 0.00 39.78 38.25 1vk0 n ASN 96 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1vk0 n LEU 97 N -1.83 0.22 -0.29 -4.53 4.77 0.66 -3.78 117.00 112.22 1vk0 n LEU 97 Ca 0.03 0.19 0.23 0.00 -0.03 0.00 0.00 56.01 56.43 1vk0 n LEU 97 Cb 0.21 -0.28 0.54 0.00 -2.33 0.00 0.00 43.42 41.57 1vk0 n LEU 97 CO 0.17 0.04 1.23 0.11 -1.33 0.00 0.00 177.39 177.62 1vk0 h LYS 98 N 0.22 0.33 -0.30 3.23 1.57 -1.27 -1.18 116.57 119.16 1vk0 h LYS 98 Ca 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1vk0 h LYS 98 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1vk0 h LYS 98 CO 0.00 0.22 0.03 -0.44 -0.57 0.00 0.00 179.45 178.69 1vk0 h ASP 99 N 0.34 0.42 -0.27 0.86 3.45 -1.80 -0.85 116.42 118.57 1vk0 h ASP 99 Ca 0.54 -0.06 -0.11 0.00 0.43 0.00 0.00 57.03 57.83 1vk0 h ASP 99 Cb 1.48 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 40.13 1vk0 h ASP 99 CO -0.22 0.46 -0.20 0.25 -1.57 0.00 0.00 179.24 177.96 1vk0 h LEU 100 N 0.44 0.74 -0.62 1.55 5.85 -1.47 -1.45 115.31 120.36 1vk0 h LEU 100 Ca 0.10 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1vk0 h LEU 100 Cb 0.25 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1vk0 h LEU 100 CO 0.00 0.94 0.21 1.88 -0.34 0.00 0.00 178.44 181.13 1vk0 h TYR 101 N 0.65 0.97 -0.36 1.25 -1.99 -1.11 -1.28 116.97 115.09 1vk0 h TYR 101 Ca 0.09 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 1vk0 h TYR 101 Cb 0.70 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1vk0 h TYR 101 CO 0.03 0.79 -0.05 0.00 -0.00 0.00 0.00 178.16 178.93 1vk0 h ARG 102 N 0.87 0.68 -0.19 4.88 3.08 -1.12 -2.31 114.38 120.27 1vk0 h ARG 102 Ca 0.20 -0.24 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1vk0 h ARG 102 Cb 0.26 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1vk0 h ARG 102 CO -0.01 0.82 -0.04 0.35 -1.07 0.00 0.00 179.97 180.02 1vk0 h PHE 103 N 0.48 -0.08 0.00 3.04 3.57 -1.19 -2.58 116.94 120.18 1vk0 h PHE 103 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1vk0 h PHE 103 Cb 0.55 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1vk0 h PHE 103 CO 0.05 -0.07 -0.17 0.74 -2.23 0.00 0.00 178.31 176.63 1vk0 h PHE 104 N 0.02 0.00 -0.00 0.41 0.05 -1.09 -2.40 116.94 113.92 1vk0 h PHE 104 Ca 0.09 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.88 1vk0 h PHE 104 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.08 1vk0 h PHE 104 CO -0.20 0.17 -0.00 0.00 -0.18 0.00 0.00 178.31 178.09 1vk0 n ALA 105 N -2.25 2.56 -1.77 2.45 0.00 -0.88 -3.77 120.51 116.85 1vk0 n ALA 105 Ca -0.01 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 1vk0 n ALA 105 Cb 0.33 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1vk0 n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vk0 s SER 106 N -2.39 6.41 0.00 0.00 0.15 -0.91 -4.47 113.70 112.49 1vk0 s SER 106 Ca 0.34 2.45 0.23 0.00 0.70 0.00 0.00 55.95 59.67 1vk0 s SER 106 Cb 0.21 -2.62 0.48 0.00 -1.71 0.00 0.00 66.02 62.38 1vk0 s SER 106 CO 0.43 -0.76 1.43 0.29 1.20 0.00 0.00 173.24 175.84 1vk0 n LYS 107 N 0.05 2.43 0.13 5.44 5.02 -1.26 -4.32 118.16 125.66 1vk0 n LYS 107 Ca 0.04 -2.17 0.03 0.00 -2.02 0.00 0.00 58.31 54.18 1vk0 n LYS 107 Cb 0.46 -1.50 0.40 0.00 -0.02 0.00 0.00 35.03 34.36 1vk0 n LYS 107 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1vk0 h PHE 108 N 4.16 0.21 -3.92 2.13 -1.00 -1.96 -3.45 116.94 113.12 1vk0 h PHE 108 Ca 0.00 -0.02 -0.24 0.00 2.81 0.00 0.00 57.97 60.52 1vk0 h PHE 108 Cb 0.92 -0.06 -0.15 0.00 3.61 0.00 0.00 35.95 40.27 1vk0 h PHE 108 CO 0.26 0.35 -0.67 0.14 -1.61 0.00 0.00 178.31 176.78 1vk0 s VAL 109 N -4.69 0.56 -0.21 -0.55 -7.23 -1.26 -4.86 120.40 102.16 1vk0 s VAL 109 Ca -0.05 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.07 1vk0 s VAL 109 Cb 0.15 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 1vk0 s VAL 109 CO 0.73 -0.63 0.13 -0.89 -0.31 0.00 0.00 175.10 174.14 1vk0 s THR 110 N -3.73 5.36 -0.45 5.32 2.01 0.09 -4.82 115.64 119.41 1vk0 s THR 110 Ca 0.19 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.11 1vk0 s THR 110 Cb 0.06 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 69.14 1vk0 s THR 110 CO 0.00 0.41 0.90 -0.36 -0.69 0.00 0.00 174.62 174.89 1vk0 s PHE 111 N 0.56 2.94 -0.25 4.92 0.08 0.36 -1.14 117.98 125.46 1vk0 s PHE 111 Ca 0.08 0.37 -0.08 0.00 0.12 0.00 0.00 56.93 57.42 1vk0 s PHE 111 Cb -0.12 -3.91 -0.04 0.00 -0.57 0.00 0.00 43.02 38.39 1vk0 s PHE 111 CO -0.00 -1.07 0.10 0.08 -0.10 0.00 0.00 175.22 174.23 1vk0 s VAL 112 N 3.67 4.66 0.31 -0.44 1.01 -0.17 -0.73 120.40 128.71 1vk0 s VAL 112 Ca 0.36 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1vk0 s VAL 112 Cb -0.10 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1vk0 s VAL 112 CO 0.25 0.33 0.09 -0.83 0.00 0.00 0.00 175.10 174.94 1vk0 s GLY 113 N 1.48 1.99 -0.12 4.51 0.00 -0.47 -0.82 107.32 113.89 1vk0 s GLY 113 Ca 0.06 -1.89 0.03 0.00 0.00 0.00 0.00 44.72 42.92 1vk0 s GLY 113 CO 0.05 -1.72 -0.22 0.14 0.00 0.00 0.00 173.10 171.36 1vk0 s VAL 114 N -3.49 2.22 -1.14 1.40 1.01 -1.26 -0.93 120.40 118.21 1vk0 s VAL 114 Ca 0.36 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1vk0 s VAL 114 Cb 0.08 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1vk0 s VAL 114 CO 0.15 0.55 0.80 0.00 0.00 0.00 0.00 175.10 176.59 1vk0 n GLN 115 N 3.73 -1.22 -0.06 2.72 1.13 -1.26 -4.92 117.38 117.49 1vk0 n GLN 115 Ca -0.19 0.45 0.08 0.00 -1.94 0.00 0.00 57.00 55.40 1vk0 n GLN 115 Cb 0.52 -4.12 0.11 0.00 0.11 0.00 0.00 30.24 26.86 1vk0 n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1vk0 n ILE 116 N -4.19 0.24 -0.05 5.09 -5.35 -1.26 -4.66 119.36 109.18 1vk0 n ILE 116 Ca -0.09 -0.62 -0.08 0.00 -0.27 0.00 0.00 62.75 61.69 1vk0 n ILE 116 Cb 0.59 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.60 1vk0 n ILE 116 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1vk0 h GLU 117 N 3.14 -0.01 -0.17 6.28 4.81 -1.99 0.24 114.58 126.88 1vk0 h GLU 117 Ca 0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1vk0 h GLU 117 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1vk0 h GLU 117 CO 0.00 -0.01 -0.66 0.93 -0.73 0.00 0.00 179.01 178.54 1vk0 h GLU 118 N -0.01 0.65 -0.68 1.92 4.39 -2.00 -2.77 114.58 116.08 1vk0 h GLU 118 Ca 0.11 -0.48 0.13 0.00 0.34 0.00 0.00 59.36 59.47 1vk0 h GLU 118 Cb 0.19 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 28.83 1vk0 h GLU 118 CO -0.25 1.10 0.21 -0.44 -1.16 0.00 0.00 179.01 178.47 1vk0 h ASP 119 N 0.47 0.14 -0.14 1.42 3.32 -1.63 -0.31 116.42 119.69 1vk0 h ASP 119 Ca -0.02 0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1vk0 h ASP 119 Cb 1.25 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 1vk0 h ASP 119 CO 0.13 0.06 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.36 1vk0 h LEU 120 N 0.35 0.63 -0.33 1.55 3.38 -0.29 0.18 115.31 120.78 1vk0 h LEU 120 Ca 0.36 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1vk0 h LEU 120 Cb 0.54 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1vk0 h LEU 120 CO -0.40 0.88 -0.03 0.44 0.09 0.00 0.00 178.44 179.42 1vk0 h ASP 121 N 0.53 0.60 -0.46 -0.43 3.32 -1.12 -1.49 116.42 117.37 1vk0 h ASP 121 Ca 0.07 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1vk0 h ASP 121 Cb 0.76 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1vk0 h ASP 121 CO 0.06 0.79 0.06 -0.07 -1.72 0.00 0.00 179.24 178.35 1vk0 h LEU 122 N 0.40 0.75 -0.17 1.55 3.38 -0.80 0.02 115.31 120.43 1vk0 h LEU 122 Ca 0.09 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1vk0 h LEU 122 Cb 0.50 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1vk0 h LEU 122 CO 0.02 0.83 -0.23 -0.07 0.09 0.00 0.00 178.44 179.08 1vk0 h LEU 123 N 0.64 -0.73 0.01 1.67 3.38 -0.59 0.14 115.31 119.83 1vk0 h LEU 123 Ca 0.14 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1vk0 h LEU 123 Cb 0.41 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1vk0 h LEU 123 CO 0.01 -0.28 -0.01 -0.09 0.09 0.00 0.00 178.44 178.17 1vk0 h ARG 124 N -0.28 -0.02 -0.46 1.13 2.43 -1.09 -1.28 114.38 114.82 1vk0 h ARG 124 Ca 0.11 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1vk0 h ARG 124 Cb 0.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1vk0 h ARG 124 CO -0.33 0.18 -0.21 0.93 -1.51 0.00 0.00 179.97 179.03 1vk0 h GLU 125 N -0.22 0.93 0.00 0.20 5.08 -0.90 -1.51 114.58 118.16 1vk0 h GLU 125 Ca -0.00 -0.38 -0.20 0.00 -1.00 0.00 0.00 59.36 57.78 1vk0 h GLU 125 Cb 0.21 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1vk0 h GLU 125 CO 0.00 1.04 -1.88 0.09 -1.00 0.00 0.00 179.01 177.27 1vk0 n ASN 126 N -4.11 0.38 0.00 1.42 5.03 0.47 -4.57 115.26 113.87 1vk0 n ASN 126 Ca 0.00 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.62 1vk0 n ASN 126 Cb 0.45 0.87 0.00 0.00 -1.02 0.00 0.00 39.78 40.07 1vk0 n ASN 126 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1vk0 n HIS 127 N -2.70 0.00 -2.34 3.10 8.25 -0.54 -4.99 115.22 116.00 1vk0 n HIS 127 Ca -0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.10 1vk0 n HIS 127 Cb 0.88 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.98 1vk0 n HIS 127 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vk0 n GLY 128 N 0.14 -0.30 3.65 -1.41 0.00 -0.57 -4.95 105.19 101.75 1vk0 n GLY 128 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1vk0 n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vk0 s LEU 129 N -5.86 4.11 -0.12 0.99 0.20 -0.83 -4.93 118.68 112.24 1vk0 s LEU 129 Ca 0.00 0.36 0.03 0.00 0.69 0.00 0.00 54.13 55.22 1vk0 s LEU 129 Cb 0.00 -2.41 0.00 0.00 -0.43 0.00 0.00 46.19 43.36 1vk0 s LEU 129 CO 0.00 -0.08 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.06 1vk0 s VAL 130 N 1.51 2.11 -0.48 1.68 1.01 -1.26 -2.78 120.40 122.19 1vk0 s VAL 130 Ca 0.15 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1vk0 s VAL 130 Cb -0.15 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.53 1vk0 s VAL 130 CO 0.08 0.55 0.37 -0.63 0.00 0.00 0.00 175.10 175.47 1vk0 s ILE 131 N 0.51 4.44 0.39 2.22 1.01 -1.26 -3.65 121.20 124.86 1vk0 s ILE 131 Ca -0.14 -1.66 0.10 0.00 0.00 0.00 0.00 60.65 58.94 1vk0 s ILE 131 Cb -0.17 -3.87 0.16 0.00 0.01 0.00 0.00 42.46 38.59 1vk0 s ILE 131 CO 0.05 -0.75 1.92 0.03 0.00 0.00 0.00 174.94 176.18 1vk0 h ARG 132 N 8.54 0.22 -2.83 2.79 3.08 -1.78 -3.37 114.38 121.03 1vk0 h ARG 132 Ca -0.23 -0.05 -0.61 0.00 0.07 0.00 0.00 59.98 59.16 1vk0 h ARG 132 Cb 1.08 -0.03 -0.41 0.00 0.08 0.00 0.00 29.97 30.69 1vk0 h ARG 132 CO 0.88 0.37 -0.70 -1.71 -1.07 0.00 0.00 179.97 177.74 1vk0 n ASN 133 N -4.27 1.94 -4.47 7.04 5.15 -1.26 -5.08 115.26 114.30 1vk0 n ASN 133 Ca -0.01 -2.96 -0.29 0.00 -0.60 0.00 0.00 54.58 50.72 1vk0 n ASN 133 Cb 0.27 -0.69 -0.12 0.00 -0.53 0.00 0.00 39.78 38.71 1vk0 n ASN 133 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vk0 s ALA 134 N -1.02 2.62 -0.03 5.20 0.00 -1.26 -0.48 121.76 126.78 1vk0 s ALA 134 Ca 0.28 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1vk0 s ALA 134 Cb -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1vk0 s ALA 134 CO -0.18 0.58 -0.05 -1.50 0.00 0.00 0.00 175.76 174.61 1vk0 s ILE 135 N -1.10 0.51 -0.81 0.00 2.07 0.09 -4.91 121.20 117.05 1vk0 s ILE 135 Ca 0.17 -0.18 -0.21 0.00 -1.41 0.00 0.00 60.65 59.02 1vk0 s ILE 135 Cb -0.10 -0.50 0.09 0.00 0.13 0.00 0.00 42.46 42.08 1vk0 s ILE 135 CO 0.09 0.19 1.09 0.21 -1.91 0.00 0.00 174.94 174.61 1vk0 s ASN 136 N 0.47 6.39 0.39 4.50 2.47 -1.26 -1.37 114.94 126.54 1vk0 s ASN 136 Ca -0.06 -1.46 0.28 0.00 0.42 0.00 0.00 52.86 52.04 1vk0 s ASN 136 Cb -0.10 -2.43 1.13 0.00 -1.45 0.00 0.00 41.25 38.41 1vk0 s ASN 136 CO -0.00 -1.30 1.83 1.62 -3.72 0.00 0.00 177.10 175.53 1vk0 h VAL 137 N 6.00 0.00 -0.43 -5.21 3.04 -1.43 -3.15 116.25 115.08 1vk0 h VAL 137 Ca -0.05 -0.39 -0.05 0.00 -1.01 0.00 0.00 66.70 65.20 1vk0 h VAL 137 Cb 1.04 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 31.56 1vk0 h VAL 137 CO 1.18 0.00 0.05 1.23 -1.01 0.00 0.00 177.57 179.01 1vk0 h GLY 138 N 2.30 0.72 0.71 3.17 0.00 -1.82 -0.96 103.07 107.19 1vk0 h GLY 138 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1vk0 h GLY 138 CO 0.00 0.40 -0.02 1.70 0.00 0.00 0.00 176.54 178.62 1vk0 h LYS 139 N 0.64 -0.06 -0.53 4.80 3.64 -1.80 0.15 116.57 123.40 1vk0 h LYS 139 Ca 0.14 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 1vk0 h LYS 139 Cb 0.33 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 1vk0 h LYS 139 CO 0.01 0.23 0.08 1.25 -2.27 0.00 0.00 179.45 178.75 1vk0 h LEU 140 N -0.35 -0.06 -0.22 5.20 5.85 -1.68 -1.75 115.31 122.29 1vk0 h LEU 140 Ca -0.01 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1vk0 h LEU 140 Cb 0.32 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1vk0 h LEU 140 CO 0.01 -0.01 -0.02 0.00 -0.34 0.00 0.00 178.44 178.08 1vk0 h ALA 141 N 1.44 0.17 -0.14 1.25 0.00 -0.86 0.16 119.26 121.28 1vk0 h ALA 141 Ca 0.27 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1vk0 h ALA 141 Cb 0.40 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1vk0 h ALA 141 CO -0.38 -0.45 -0.08 0.00 0.00 0.00 0.00 179.25 178.34 1vk0 h ALA 142 N 1.20 0.04 0.69 0.00 0.00 -0.13 -0.71 119.26 120.35 1vk0 h ALA 142 Ca 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1vk0 h ALA 142 Cb 0.14 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1vk0 h ALA 142 CO -0.20 -0.52 -0.33 0.93 0.00 0.00 0.00 179.25 179.13 1vk0 h GLU 143 N -0.07 -0.90 -0.91 0.00 5.08 -1.16 0.03 114.58 116.66 1vk0 h GLU 143 Ca 0.08 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.73 1vk0 h GLU 143 Cb 0.19 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1vk0 h GLU 143 CO -0.18 -0.58 0.61 0.00 -1.00 0.00 0.00 179.01 177.86 1vk0 h ALA 144 N -0.71 2.38 -0.10 3.43 0.00 -0.60 -2.21 119.26 121.46 1vk0 h ALA 144 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vk0 h ALA 144 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vk0 h ALA 144 CO 0.16 -0.67 0.00 2.89 0.00 0.00 0.00 179.25 181.63 1vk0 n ARG 145 N -4.46 2.12 -2.86 0.00 1.85 -0.28 -4.98 116.66 108.05 1vk0 n ARG 145 Ca 0.19 -2.44 -0.19 0.00 -1.00 0.00 0.00 57.85 54.42 1vk0 n ARG 145 Cb 0.78 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.70 1vk0 n ARG 145 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vk0 n GLY 146 N -0.88 -0.50 2.97 2.89 0.00 -0.08 -4.96 105.19 104.62 1vk0 n GLY 146 Ca 0.15 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1vk0 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vk0 s THR 147 N -2.89 2.00 0.26 2.61 2.01 -0.73 -5.00 115.64 113.89 1vk0 s THR 147 Ca 0.20 -2.11 -0.02 0.00 0.31 0.00 0.00 61.69 60.07 1vk0 s THR 147 Cb -0.10 -2.46 0.25 0.00 0.01 0.00 0.00 72.50 70.21 1vk0 s THR 147 CO 0.24 -0.57 1.84 -0.07 -0.69 0.00 0.00 174.62 175.37 1vk0 h LEU 148 N 7.71 0.86 -1.77 4.42 3.38 -1.93 -2.86 115.31 125.12 1vk0 h LEU 148 Ca -0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1vk0 h LEU 148 Cb 1.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1vk0 h LEU 148 CO 0.51 0.49 0.00 1.62 0.09 0.00 0.00 178.44 181.15 1vk0 h VAL 149 N 0.96 0.00 0.00 1.22 3.04 -1.94 -3.14 116.25 116.39 1vk0 h VAL 149 Ca 0.45 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.85 1vk0 h VAL 149 Cb 0.37 1.19 -0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1vk0 h VAL 149 CO -0.24 0.00 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.22 1vk0 h LEU 150 N 0.00 0.00 -2.32 3.16 3.38 -1.80 -0.73 115.31 117.01 1vk0 h LEU 150 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vk0 h LEU 150 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1vk0 h LEU 150 CO 0.00 0.03 -0.02 -0.08 0.09 0.00 0.00 178.44 178.46 1vk0 h GLU 151 N 0.00 0.00 -0.13 1.13 4.81 -1.49 -3.13 114.58 115.78 1vk0 h GLU 151 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1vk0 h GLU 151 Cb 0.06 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1vk0 h GLU 151 CO 0.00 0.02 -0.20 1.19 -0.73 0.00 0.00 179.01 179.30 1vk0 n PHE 152 N -3.22 0.41 -4.07 0.92 3.72 -0.28 -4.61 117.46 110.34 1vk0 n PHE 152 Ca -0.02 -1.32 -0.28 0.00 -0.05 0.00 0.00 57.45 55.78 1vk0 n PHE 152 Cb 0.17 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.35 1vk0 n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1vk0 s LEU 153 N -3.10 3.79 0.00 4.37 1.43 -1.18 -5.11 118.68 118.88 1vk0 s LEU 153 Ca 0.39 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 1vk0 s LEU 153 Cb 0.35 -2.44 0.20 0.00 0.03 0.00 0.00 46.19 44.33 1vk0 s LEU 153 CO -0.01 0.12 1.23 0.61 0.23 0.00 0.00 176.35 178.54 1vk0 n GLY 154 N 0.09 -0.81 0.39 -3.19 0.00 -1.26 -4.74 105.19 95.68 1vk0 n GLY 154 Ca -0.09 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 1vk0 n GLY 154 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1vk0 h THR 155 N -1.40 0.21 0.12 2.61 2.02 -1.99 -0.00 112.91 114.47 1vk0 h THR 155 Ca -0.40 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1vk0 h THR 155 Cb 1.21 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1vk0 h THR 155 CO 0.32 0.00 -0.06 -0.09 0.37 0.00 0.00 175.52 176.07 1vk0 h ARG 156 N -0.66 -0.15 -0.09 6.66 1.12 -1.96 -1.03 114.38 118.28 1vk0 h ARG 156 Ca 0.01 0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.78 1vk0 h ARG 156 Cb 0.66 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.64 1vk0 h ARG 156 CO -0.19 -0.05 -0.46 1.49 -3.11 0.00 0.00 179.97 177.65 1vk0 h GLU 157 N -0.22 0.21 -0.07 0.20 4.57 -1.89 0.30 114.58 117.69 1vk0 h GLU 157 Ca -0.02 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1vk0 h GLU 157 Cb 0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1vk0 h GLU 157 CO 0.03 0.64 0.02 1.25 -1.18 0.00 0.00 179.01 179.77 1vk0 h LEU 158 N 0.17 0.10 -1.13 1.64 5.85 -0.81 -1.60 115.31 119.54 1vk0 h LEU 158 Ca 0.01 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.64 1vk0 h LEU 158 Cb 0.89 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 1vk0 h LEU 158 CO 0.07 0.26 0.60 0.00 -0.34 0.00 0.00 178.44 179.03 1vk0 h ALA 159 N 0.84 1.58 -0.85 1.25 0.00 -0.57 -0.87 119.26 120.65 1vk0 h ALA 159 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vk0 h ALA 159 Cb 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1vk0 h ALA 159 CO -0.00 0.22 0.45 1.25 0.00 0.00 0.00 179.25 181.17 1vk0 h HIS 160 N 0.95 1.18 0.00 0.00 -0.00 -0.74 0.80 115.15 117.33 1vk0 h HIS 160 Ca 0.44 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.77 1vk0 h HIS 160 Cb 0.40 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1vk0 h HIS 160 CO -0.00 0.83 -0.67 0.00 -0.00 0.00 0.00 177.93 178.09 1vk0 h ARG 161 N 1.18 0.00 0.03 5.26 2.47 -0.19 -1.78 114.38 121.36 1vk0 h ARG 161 Ca 0.30 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.64 1vk0 h ARG 161 Cb 0.06 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.32 1vk0 h ARG 161 CO -0.04 0.00 -2.17 0.28 0.56 0.00 0.00 179.97 178.60 1vk0 n VAL 162 N -2.43 1.58 -0.03 2.04 0.31 -0.60 -4.77 118.33 114.43 1vk0 n VAL 162 Ca 0.02 -0.44 0.05 0.00 -0.01 0.00 0.00 64.34 63.96 1vk0 n VAL 162 Cb 0.49 -1.73 -0.14 0.00 -0.91 0.00 0.00 33.84 31.55 1vk0 n VAL 162 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vk0 n LEU 163 N -3.80 0.00 -3.92 7.52 4.77 0.27 -5.02 117.00 116.81 1vk0 n LEU 163 Ca -0.43 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.25 1vk0 n LEU 163 Cb 0.92 0.10 0.02 0.00 -2.33 0.00 0.00 43.42 42.13 1vk0 n LEU 163 CO 0.22 0.10 0.10 0.79 -1.33 0.00 0.00 177.39 177.27 1vk0 n TRP 164 N -2.25 -2.29 -3.21 -1.77 7.02 -0.67 -4.98 117.44 109.30 1vk0 n TRP 164 Ca -0.09 0.90 -0.21 0.00 -1.02 0.00 0.00 57.50 57.08 1vk0 n TRP 164 Cb 0.61 -3.96 0.05 0.00 -2.42 0.00 0.00 31.31 25.59 1vk0 n TRP 164 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1vk0 s SER 165 N -3.33 5.01 -0.19 -0.99 1.04 -1.26 -5.06 113.70 108.93 1vk0 s SER 165 Ca 0.66 -0.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.87 1vk0 s SER 165 Cb -0.33 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 1vk0 s SER 165 CO 0.83 -1.28 1.22 -0.62 0.98 0.00 0.00 173.24 174.37 1vk0 s ASP 166 N -4.58 6.96 -0.00 7.02 -1.08 -1.26 -4.90 116.67 118.82 1vk0 s ASP 166 Ca 0.56 1.61 0.01 0.00 -0.52 0.00 0.00 52.55 54.20 1vk0 s ASP 166 Cb -0.05 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1vk0 s ASP 166 CO 0.35 -0.76 0.94 0.18 0.52 0.00 0.00 175.17 176.41 1vk0 n LEU 167 N 6.60 1.75 -0.18 -1.34 4.77 -1.26 -4.77 117.00 122.57 1vk0 n LEU 167 Ca 0.14 -1.78 -0.01 0.00 -0.03 0.00 0.00 56.01 54.33 1vk0 n LEU 167 Cb 0.45 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 41.61 1vk0 n LEU 167 CO 0.55 0.44 0.88 1.23 -1.33 0.00 0.00 177.39 179.17 1vk0 h GLY 168 N 0.00 0.65 0.85 -0.72 0.00 -1.99 -1.58 103.07 100.28 1vk0 h GLY 168 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1vk0 h GLY 168 CO 0.00 -0.13 0.05 -1.61 0.00 0.00 0.00 176.54 174.85 1vk0 h GLN 169 N 0.19 0.28 -0.47 4.80 5.75 -2.00 -1.76 115.11 121.90 1vk0 h GLN 169 Ca 0.29 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.79 1vk0 h GLN 169 Cb 0.43 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 1vk0 h GLN 169 CO -0.42 0.40 0.16 1.25 -2.65 0.00 0.00 178.83 177.57 1vk0 h LEU 170 N 0.11 0.16 -0.60 -2.39 5.85 -1.88 -2.29 115.31 114.27 1vk0 h LEU 170 Ca 0.06 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1vk0 h LEU 170 Cb 0.24 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1vk0 h LEU 170 CO -0.00 0.12 0.39 0.44 -0.34 0.00 0.00 178.44 179.05 1vk0 h ASP 171 N 0.33 0.68 -0.69 1.25 3.32 -1.19 -0.37 116.42 119.75 1vk0 h ASP 171 Ca 0.22 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1vk0 h ASP 171 Cb 0.23 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1vk0 h ASP 171 CO -0.23 0.49 0.29 0.77 -1.72 0.00 0.00 179.24 178.84 1vk0 h SER 172 N 0.80 0.95 -0.23 6.45 4.64 -1.11 0.57 113.55 125.62 1vk0 h SER 172 Ca 0.22 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 1vk0 h SER 172 Cb -0.08 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.76 1vk0 h SER 172 CO -0.05 0.84 -0.22 0.40 -0.87 0.00 0.00 176.83 176.93 1vk0 h ILE 173 N 1.02 1.32 -0.22 0.95 2.04 -1.01 -3.30 117.51 118.31 1vk0 h ILE 173 Ca 0.24 -1.37 -0.18 0.00 1.00 0.00 0.00 64.86 64.55 1vk0 h ILE 173 Cb 0.18 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1vk0 h ILE 173 CO -0.02 0.43 -0.55 -0.33 0.00 0.00 0.00 178.15 177.67 1vk0 h GLU 174 N 0.26 0.77 -0.14 2.37 5.08 -0.41 -2.62 114.58 119.89 1vk0 h GLU 174 Ca 0.04 -0.53 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1vk0 h GLU 174 Cb 0.76 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1vk0 h GLU 174 CO 0.05 1.15 0.54 0.00 -1.00 0.00 0.00 179.01 179.75 1vk0 h ALA 175 N 0.62 1.70 -0.56 3.43 0.00 0.04 -0.68 119.26 123.81 1vk0 h ALA 175 Ca -0.01 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1vk0 h ALA 175 Cb 1.17 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.56 1vk0 h ALA 175 CO 0.12 -0.61 -1.07 0.36 0.00 0.00 0.00 179.25 178.05 1vk0 n LYS 176 N -2.98 2.03 -0.30 0.00 -0.00 -1.01 -4.91 118.16 110.98 1vk0 n LYS 176 Ca 0.02 -3.62 0.13 0.00 -0.00 0.00 0.00 58.31 54.83 1vk0 n LYS 176 Cb 0.61 -1.70 0.28 0.00 -0.00 0.00 0.00 35.03 34.23 1vk0 n LYS 176 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 1vk0 h TRP 177 N 2.58 0.36 0.00 5.58 2.91 -0.84 0.37 115.95 126.91 1vk0 h TRP 177 Ca -0.04 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 1vk0 h TRP 177 Cb 1.30 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1vk0 h TRP 177 CO 0.57 -0.20 -0.03 1.05 -1.03 0.00 0.00 178.44 178.80 1vk0 h GLU 178 N 0.22 0.00 -0.64 2.65 9.09 -1.88 -1.48 114.58 122.54 1vk0 h GLU 178 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 1vk0 h GLU 178 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1vk0 h GLU 178 CO -0.65 0.03 0.00 1.63 0.05 0.00 0.00 179.01 180.07 1vk0 n LYS 179 N -4.28 3.51 -3.47 1.06 5.02 0.13 -4.93 118.16 115.20 1vk0 n LYS 179 Ca -0.03 -2.44 -0.37 0.00 -2.02 0.00 0.00 58.31 53.45 1vk0 n LYS 179 Cb 0.11 -1.87 -0.08 0.00 -0.02 0.00 0.00 35.03 33.17 1vk0 n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vk0 s ALA 180 N -1.95 3.57 0.82 7.82 0.00 -0.56 -5.08 121.76 126.39 1vk0 s ALA 180 Ca 0.43 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 1vk0 s ALA 180 Cb 0.29 -2.52 0.09 0.00 0.00 0.00 0.00 23.12 20.98 1vk0 s ALA 180 CO 0.19 -0.18 1.09 0.20 0.00 0.00 0.00 175.76 177.06 1vk0 s GLY 181 N 0.90 1.64 0.40 0.00 0.00 -1.26 -4.76 107.32 104.24 1vk0 s GLY 181 Ca 0.16 0.03 0.19 0.00 0.00 0.00 0.00 44.72 45.10 1vk0 s GLY 181 CO 0.06 0.45 1.79 -2.55 0.00 0.00 0.00 173.10 172.85 1vk0 h PRO 182 N -1.27 0.38 -0.46 2.90 0.11 -1.99 -0.68 132.00 130.99 1vk0 h PRO 182 Ca -0.47 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1vk0 h PRO 182 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1vk0 h PRO 182 CO 0.54 0.25 -0.06 1.49 -0.21 0.00 0.00 178.00 180.01 1vk0 h GLU 183 N 0.39 0.86 0.00 1.05 4.81 -1.99 -0.76 114.58 118.94 1vk0 h GLU 183 Ca 0.57 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1vk0 h GLU 183 Cb 1.47 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1vk0 h GLU 183 CO -0.27 0.94 -0.45 0.93 -0.73 0.00 0.00 179.01 179.44 1vk0 h GLU 184 N 0.70 0.00 -0.19 1.92 5.08 -1.51 0.70 114.58 121.28 1vk0 h GLU 184 Ca 0.12 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 1vk0 h GLU 184 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1vk0 h GLU 184 CO 0.04 0.45 -0.59 1.96 -1.00 0.00 0.00 179.01 179.86 1vk0 h GLN 185 N 0.00 0.74 0.01 2.33 4.20 -1.07 -1.13 115.11 120.20 1vk0 h GLN 185 Ca -0.00 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.16 1vk0 h GLN 185 Cb 1.03 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.90 1vk0 h GLN 185 CO 0.06 1.16 -0.01 1.25 -0.67 0.00 0.00 178.83 180.62 1vk0 h LEU 186 N 0.46 -0.02 -0.43 1.46 5.85 -1.05 -1.84 115.31 119.74 1vk0 h LEU 186 Ca -0.02 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.77 1vk0 h LEU 186 Cb 1.21 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 1vk0 h LEU 186 CO 0.13 0.01 -0.26 -0.08 -0.34 0.00 0.00 178.44 177.90 1vk0 h GLU 187 N -0.04 -0.17 -0.74 1.25 4.81 -0.77 0.13 114.58 119.05 1vk0 h GLU 187 Ca -0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1vk0 h GLU 187 Cb 0.04 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1vk0 h GLU 187 CO 0.00 -0.12 0.40 0.00 -0.73 0.00 0.00 179.01 178.57 1vk0 h ALA 188 N 1.00 1.02 0.05 2.92 0.00 -1.04 -0.57 119.26 122.64 1vk0 h ALA 188 Ca 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1vk0 h ALA 188 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vk0 h ALA 188 CO -0.54 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 178.72 1vk0 h ALA 189 N 1.41 -0.07 -0.31 0.00 0.00 -0.54 -0.91 119.26 118.85 1vk0 h ALA 189 Ca 0.35 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1vk0 h ALA 189 Cb 0.31 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1vk0 h ALA 189 CO -0.24 -0.53 -0.02 0.00 0.00 0.00 0.00 179.25 178.46 1vk0 h ALA 190 N 0.87 0.26 -0.80 0.00 0.00 -0.58 -0.66 119.26 118.35 1vk0 h ALA 190 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vk0 h ALA 190 Cb 0.06 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1vk0 h ALA 190 CO 0.01 -0.43 0.50 0.82 0.00 0.00 0.00 179.25 180.16 1vk0 h ILE 191 N 0.06 1.22 -0.17 0.00 2.04 -1.04 -1.32 117.51 118.30 1vk0 h ILE 191 Ca 0.15 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1vk0 h ILE 191 Cb 0.21 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1vk0 h ILE 191 CO -0.27 0.22 -0.45 -0.33 0.00 0.00 0.00 178.15 177.32 1vk0 h GLU 192 N 1.09 0.41 0.05 2.37 5.08 -0.86 0.91 114.58 123.63 1vk0 h GLU 192 Ca 0.29 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1vk0 h GLU 192 Cb -0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1vk0 h GLU 192 CO -0.06 0.78 -0.02 0.78 -1.00 0.00 0.00 179.01 179.49 1vk0 h GLY 193 N 1.17 -0.07 0.60 -3.84 0.00 -0.74 -1.88 103.07 98.31 1vk0 h GLY 193 Ca 0.02 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.43 1vk0 h GLY 193 CO 0.08 -0.03 0.03 -0.25 0.00 0.00 0.00 176.54 176.37 1vk0 h TRP 194 N -0.10 0.03 -0.57 5.60 7.01 -1.09 -0.38 115.95 126.45 1vk0 h TRP 194 Ca -0.01 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.08 1vk0 h TRP 194 Cb 0.08 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 1vk0 h TRP 194 CO -0.07 -0.02 0.25 -0.07 -2.79 0.00 0.00 178.44 175.75 1vk0 h LEU 195 N 0.12 0.32 -0.45 0.65 3.38 -0.76 -2.01 115.31 116.55 1vk0 h LEU 195 Ca 0.14 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1vk0 h LEU 195 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1vk0 h LEU 195 CO -0.21 0.20 -0.77 0.40 0.09 0.00 0.00 178.44 178.15 1vk0 h ILE 196 N 0.47 1.55 -0.59 1.22 1.08 -0.98 -0.98 117.51 119.29 1vk0 h ILE 196 Ca 0.27 -2.62 0.11 0.00 -0.39 0.00 0.00 64.86 62.23 1vk0 h ILE 196 Cb 0.26 2.42 -0.08 0.00 -3.07 0.00 0.00 36.82 36.35 1vk0 h ILE 196 CO -0.23 0.75 0.14 0.58 -0.69 0.00 0.00 178.15 178.70 1vk0 h VAL 197 N 0.01 0.67 -0.64 1.67 2.07 -0.77 -0.59 116.25 118.66 1vk0 h VAL 197 Ca -0.01 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1vk0 h VAL 197 Cb 1.37 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1vk0 h VAL 197 CO 0.10 0.05 0.13 0.78 0.02 0.00 0.00 177.57 178.65 1vk0 h ASN 198 N 0.28 0.99 -0.34 0.57 2.35 -0.90 -0.21 115.58 118.31 1vk0 h ASN 198 Ca 0.30 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1vk0 h ASN 198 Cb 0.43 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1vk0 h ASN 198 CO -0.37 0.97 0.18 0.58 -1.65 0.00 0.00 177.43 177.13 1vk0 h VAL 199 N 0.98 1.15 -0.25 2.81 2.07 -0.83 -2.18 116.25 120.00 1vk0 h VAL 199 Ca 0.20 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1vk0 h VAL 199 Cb 0.39 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1vk0 h VAL 199 CO 0.01 0.15 0.05 -0.25 0.02 0.00 0.00 177.57 177.55 1vk0 h TRP 200 N 0.43 0.44 -0.81 1.57 2.91 -0.76 -1.18 115.95 118.55 1vk0 h TRP 200 Ca 0.12 -0.06 0.14 0.00 1.13 0.00 0.00 58.89 60.22 1vk0 h TRP 200 Cb 0.08 -0.12 -0.09 0.00 -0.51 0.00 0.00 29.16 28.52 1vk0 h TRP 200 CO -0.02 0.52 0.39 -0.44 -1.03 0.00 0.00 178.44 177.85 1vk0 h ASP 201 N 0.23 0.45 -0.02 2.65 3.45 -1.00 -0.59 116.42 121.59 1vk0 h ASP 201 Ca 0.08 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1vk0 h ASP 201 Cb 0.31 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1vk0 h ASP 201 CO 0.00 0.19 -0.00 -0.61 -1.57 0.00 0.00 179.24 177.25 1vk0 h GLN 202 N 0.57 0.03 -0.39 3.56 5.75 -1.15 -3.23 115.11 120.25 1vk0 h GLN 202 Ca 0.44 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.85 1vk0 h GLN 202 Cb 0.61 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1vk0 h GLN 202 CO -0.36 0.35 -0.07 -0.07 -2.65 0.00 0.00 178.83 176.02 1vk0 h LEU 203 N -0.29 0.64 0.00 -2.39 3.38 -0.95 -3.07 115.31 112.63 1vk0 h LEU 203 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1vk0 h LEU 203 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1vk0 h LEU 203 CO 0.00 0.76 0.00 -1.54 0.09 0.00 0.00 178.44 177.75 1vk0 n SER 204 N -4.20 0.00 0.00 -0.43 3.41 -0.25 -2.29 113.62 109.86 1vk0 n SER 204 Ca 0.01 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 1vk0 n SER 204 Cb 0.32 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1vk0 n SER 204 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vk0 n ASP 205 N -1.43 0.85 -0.58 4.04 8.00 -1.16 -5.11 116.55 121.15 1vk0 n ASP 205 Ca 0.04 -0.77 0.14 0.00 0.71 0.00 0.00 54.79 54.90 1vk0 n ASP 205 Cb 0.13 0.78 0.44 0.00 -0.02 0.00 0.00 41.12 42.44 1vk0 n ASP 205 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19