#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk0 s ALA 2 N 0.00 3.47 0.08 -0.43 0.00 -1.26 -5.05 121.76 118.58 1vk0 s ALA 2 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1vk0 s ALA 2 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1vk0 s ALA 2 CO 0.00 -1.32 0.14 -1.54 0.00 0.00 0.00 175.76 173.04 1vk0 s SER 3 N 1.75 0.21 -1.13 0.00 1.04 -1.26 -5.03 113.70 109.27 1vk0 s SER 3 Ca 0.10 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.62 1vk0 s SER 3 Cb -0.17 0.31 0.16 0.00 0.10 0.00 0.00 66.02 66.42 1vk0 s SER 3 CO 0.12 -0.71 1.34 -0.36 0.98 0.00 0.00 173.24 174.61 1vk0 s PHE 4 N -3.89 3.43 -0.95 5.02 0.40 -1.26 -4.76 117.98 115.97 1vk0 s PHE 4 Ca 0.07 -1.96 0.10 0.00 -0.60 0.00 0.00 56.93 54.53 1vk0 s PHE 4 Cb 0.06 -4.29 0.21 0.00 0.51 0.00 0.00 43.02 39.50 1vk0 s PHE 4 CO -0.10 -1.40 1.09 -0.40 0.70 0.00 0.00 175.22 175.11 1vk0 n ASP 5 N 5.79 2.49 -3.25 1.36 3.85 -1.10 -4.13 116.55 121.55 1vk0 n ASP 5 Ca 0.33 -1.81 -0.24 0.00 -0.71 0.00 0.00 54.79 52.36 1vk0 n ASP 5 Cb 0.44 -0.14 0.22 0.00 -1.35 0.00 0.00 41.12 40.30 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 0.45 -3.38 3.57 6.12 0.00 -0.80 -4.96 105.19 106.18 1vk0 n GLY 6 Ca 0.09 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1vk0 n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vk0 n PRO 7 N -4.67 1.02 -3.91 1.61 -0.04 -1.26 -4.38 135.00 123.37 1vk0 n PRO 7 Ca 0.12 0.37 -0.34 0.00 -0.04 0.00 0.00 63.50 63.61 1vk0 n PRO 7 Cb 0.48 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 31.96 1vk0 n PRO 7 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1vk0 s LYS 8 N -2.09 3.42 0.02 0.54 1.02 -1.26 -3.37 119.74 118.02 1vk0 s LYS 8 Ca 0.66 -0.29 0.06 0.00 0.02 0.00 0.00 55.97 56.42 1vk0 s LYS 8 Cb -0.52 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 1vk0 s LYS 8 CO 0.55 0.69 -0.17 -0.06 -0.92 0.00 0.00 175.35 175.44 1vk0 s PHE 9 N -1.26 1.49 0.64 3.18 0.08 -0.15 -4.95 117.98 117.02 1vk0 s PHE 9 Ca 0.25 -0.32 0.06 0.00 0.12 0.00 0.00 56.93 57.04 1vk0 s PHE 9 Cb -0.12 -0.92 0.12 0.00 -0.57 0.00 0.00 43.02 41.52 1vk0 s PHE 9 CO 0.16 0.03 0.89 1.17 -0.10 0.00 0.00 175.22 177.36 1vk0 n LYS 10 N 2.22 0.34 0.03 0.44 4.81 -1.26 0.37 118.16 125.11 1vk0 n LYS 10 Ca -0.16 -3.04 0.11 0.00 -0.87 0.00 0.00 58.31 54.35 1vk0 n LYS 10 Cb 0.54 -0.40 -0.03 0.00 0.02 0.00 0.00 35.03 35.16 1vk0 n LYS 10 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1vk0 n THR 12 N -2.50 0.19 0.82 3.15 -2.24 -1.26 -4.97 114.28 107.48 1vk0 n THR 12 Ca 0.17 -0.33 0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1vk0 n THR 12 Cb 0.61 0.13 0.29 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.11 2.30 0.00 3.42 3.85 -1.26 -4.94 116.55 117.82 1vk0 n ASP 13 Ca 0.00 -1.86 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 1vk0 n ASP 13 Cb 0.48 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 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 1.24 3.21 3.64 6.12 0.00 -1.26 -5.05 105.19 113.10 1vk0 n GLY 14 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.09 2.65 0.14 1.61 1.04 -1.26 -4.99 113.70 111.82 1vk0 s SER 15 Ca 0.00 1.84 0.08 0.00 0.48 0.00 0.00 55.95 58.35 1vk0 s SER 15 Cb 0.00 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 1vk0 s SER 15 CO 0.00 -3.21 -0.11 -0.31 0.98 0.00 0.00 173.24 170.59 1vk0 s TYR 16 N -2.68 2.65 -0.14 5.02 1.51 -1.26 -4.42 117.35 118.02 1vk0 s TYR 16 Ca 0.66 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 1vk0 s TYR 16 Cb -0.22 -1.34 -0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1vk0 s TYR 16 CO 0.59 0.46 -0.18 0.08 -1.11 0.00 0.00 175.55 175.40 1vk0 s VAL 17 N -1.45 2.50 0.11 0.71 1.01 0.16 -4.74 120.40 118.71 1vk0 s VAL 17 Ca 0.22 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1vk0 s VAL 17 Cb -0.10 -2.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 1vk0 s VAL 17 CO 0.14 0.53 0.53 -1.10 0.00 0.00 0.00 175.10 175.20 1vk0 s GLN 18 N 0.70 4.00 0.13 2.72 -0.21 -0.34 -0.97 119.66 125.68 1vk0 s GLN 18 Ca -0.08 0.51 0.05 0.00 0.02 0.00 0.00 55.36 55.86 1vk0 s GLN 18 Cb -0.16 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.79 1vk0 s GLN 18 CO 0.01 0.54 -0.12 0.99 -2.12 0.00 0.00 175.29 174.59 1vk0 s THR 19 N -1.36 1.20 -0.23 -0.19 2.01 -1.22 -1.18 115.64 114.68 1vk0 s THR 19 Ca 0.34 -1.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.34 1vk0 s THR 19 Cb -0.16 -1.65 0.07 0.00 0.01 0.00 0.00 72.50 70.77 1vk0 s THR 19 CO 0.18 -0.59 0.57 -0.75 -0.69 0.00 0.00 174.62 173.34 1vk0 s LYS 20 N -3.17 0.58 -0.17 4.92 2.47 -0.45 -1.91 119.74 122.00 1vk0 s LYS 20 Ca 0.12 0.99 -0.00 0.00 -1.56 0.00 0.00 55.97 55.52 1vk0 s LYS 20 Cb -0.01 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.46 1vk0 s LYS 20 CO 0.02 -0.14 -0.14 0.99 0.16 0.00 0.00 175.35 176.23 1vk0 s THR 21 N 1.34 2.69 -0.11 3.43 2.01 -1.26 -0.53 115.64 123.20 1vk0 s THR 21 Ca -0.08 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1vk0 s THR 21 Cb -0.06 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.31 1vk0 s THR 21 CO -0.14 0.50 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.47 1vk0 s ILE 22 N 0.99 1.83 -0.60 1.82 1.01 -0.22 -4.98 121.20 121.04 1vk0 s ILE 22 Ca -0.02 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.50 1vk0 s ILE 22 Cb -0.15 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.74 1vk0 s ILE 22 CO -0.03 0.51 1.18 -1.81 0.00 0.00 0.00 174.94 174.79 1vk0 s ASP 23 N 0.69 6.40 -0.21 3.58 1.01 -1.26 -0.10 116.67 126.78 1vk0 s ASP 23 Ca -0.11 -0.02 -0.25 0.00 0.71 0.00 0.00 52.55 52.88 1vk0 s ASP 23 Cb -0.16 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.22 1vk0 s ASP 23 CO 0.02 -1.50 0.85 -0.69 0.21 0.00 0.00 175.17 174.05 1vk0 s VAL 24 N 4.95 4.84 0.00 -1.27 1.01 0.63 -4.96 120.40 125.61 1vk0 s VAL 24 Ca 0.41 1.63 0.00 0.00 0.00 0.00 0.00 61.98 64.02 1vk0 s VAL 24 Cb -0.08 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1vk0 s VAL 24 CO 0.23 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1vk0 n GLY 25 N 3.59 2.27 0.10 4.51 0.00 -1.26 -3.62 105.19 110.77 1vk0 n GLY 25 Ca 0.06 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 0.59 0.00 1.61 3.41 -1.26 -3.78 113.62 114.20 1vk0 n SER 26 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1vk0 n SER 26 Cb 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1vk0 n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1vk0 n SER 27 N -2.11 0.38 -4.72 4.04 7.64 -1.26 -4.49 113.62 113.10 1vk0 n SER 27 Ca 0.04 -1.15 -0.42 0.00 1.01 0.00 0.00 58.87 58.35 1vk0 n SER 27 Cb 0.29 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1vk0 n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vk0 s THR 28 N -0.15 2.86 -0.43 0.44 2.01 -1.25 -4.99 115.64 114.14 1vk0 s THR 28 Ca 0.00 0.64 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 1vk0 s THR 28 Cb 0.00 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 69.13 1vk0 s THR 28 CO 0.00 0.06 0.51 -0.62 -0.69 0.00 0.00 174.62 173.88 1vk0 s ASP 29 N 0.98 6.24 0.00 3.53 3.68 -1.26 -4.87 116.67 124.97 1vk0 s ASP 29 Ca 0.66 -0.58 0.22 0.00 2.13 0.00 0.00 52.55 54.98 1vk0 s ASP 29 Cb -0.41 -2.26 -0.07 0.00 -1.45 0.00 0.00 42.92 38.74 1vk0 s ASP 29 CO 0.33 -0.65 1.03 2.30 0.13 0.00 0.00 175.17 178.30 1vk0 n ILE 30 N 5.57 0.00 -0.30 4.11 -5.35 -1.26 -4.46 119.36 117.68 1vk0 n ILE 30 Ca -0.05 -0.09 0.10 0.00 -0.27 0.00 0.00 62.75 62.43 1vk0 n ILE 30 Cb 0.47 1.01 0.26 0.00 -1.74 0.00 0.00 39.64 39.65 1vk0 n ILE 30 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1vk0 h SER 31 N 0.88 0.39 0.46 7.28 0.87 -1.92 0.12 113.55 121.63 1vk0 h SER 31 Ca 0.00 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1vk0 h SER 31 Cb 0.59 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1vk0 h SER 31 CO 0.00 0.09 -0.36 -0.65 -0.53 0.00 0.00 176.83 175.38 1vk0 h PRO 32 N 0.48 0.00 0.02 2.24 0.11 -2.00 -1.50 132.00 131.36 1vk0 h PRO 32 Ca 0.51 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.36 1vk0 h PRO 32 Cb 0.87 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.99 1vk0 h PRO 32 CO -0.46 0.36 -1.05 1.88 -0.21 0.00 0.00 178.00 178.53 1vk0 h TYR 33 N 0.00 0.85 -0.51 0.65 0.05 -1.16 -2.81 116.97 114.04 1vk0 h TYR 33 Ca -0.00 -0.48 0.01 0.00 0.05 0.00 0.00 58.73 58.30 1vk0 h TYR 33 Cb 0.69 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 1vk0 h TYR 33 CO 0.00 1.32 0.34 -0.07 -1.05 0.00 0.00 178.16 178.70 1vk0 h LEU 34 N 0.30 0.58 -0.69 3.88 3.38 -0.80 -2.60 115.31 119.37 1vk0 h LEU 34 Ca -0.12 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1vk0 h LEU 34 Cb 1.70 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1vk0 h LEU 34 CO 0.19 0.42 -0.00 0.28 0.09 0.00 0.00 178.44 179.42 1vk0 h SER 35 N 0.69 0.99 -0.10 -0.43 0.02 -1.25 -1.94 113.55 111.52 1vk0 h SER 35 Ca 0.19 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 1vk0 h SER 35 Cb -0.07 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1vk0 h SER 35 CO -0.04 1.04 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.32 1vk0 h LEU 36 N 0.93 0.59 -0.32 5.07 3.38 -1.25 0.34 115.31 124.05 1vk0 h LEU 36 Ca 0.17 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1vk0 h LEU 36 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1vk0 h LEU 36 CO 0.03 0.86 0.06 0.40 0.09 0.00 0.00 178.44 179.88 1vk0 h ILE 37 N 0.50 1.23 -0.46 1.22 1.08 -1.21 -0.85 117.51 119.01 1vk0 h ILE 37 Ca 0.06 -0.78 -0.04 0.00 -0.39 0.00 0.00 64.86 63.71 1vk0 h ILE 37 Cb 0.77 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 1vk0 h ILE 37 CO 0.06 0.26 0.15 -0.09 -0.69 0.00 0.00 178.15 177.84 1vk0 h ARG 38 N 0.35 0.71 -0.51 2.37 2.43 -1.09 0.02 114.38 118.65 1vk0 h ARG 38 Ca 0.10 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1vk0 h ARG 38 Cb 0.33 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1vk0 h ARG 38 CO 0.00 0.67 0.13 1.49 -1.51 0.00 0.00 179.97 180.76 1vk0 h GLU 39 N 0.60 0.81 -0.52 0.20 4.81 -0.83 -0.45 114.58 119.21 1vk0 h GLU 39 Ca 0.15 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1vk0 h GLU 39 Cb 0.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1vk0 h GLU 39 CO -0.01 0.78 0.02 0.22 -0.73 0.00 0.00 179.01 179.29 1vk0 h ASP 40 N 0.70 0.83 -0.12 1.04 3.58 -0.90 -1.00 116.42 120.55 1vk0 h ASP 40 Ca 0.16 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1vk0 h ASP 40 Cb 0.32 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1vk0 h ASP 40 CO 0.00 0.88 0.05 -1.28 -2.88 0.00 0.00 179.24 176.01 1vk0 h SER 41 N 0.80 0.16 -0.06 2.28 0.87 -0.48 0.58 113.55 117.70 1vk0 h SER 41 Ca 0.16 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1vk0 h SER 41 Cb 0.46 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1vk0 h SER 41 CO 0.02 0.25 0.01 0.40 -0.53 0.00 0.00 176.83 176.99 1vk0 h ILE 42 N 0.06 1.20 -0.10 2.23 2.04 -1.00 0.34 117.51 122.27 1vk0 h ILE 42 Ca 0.04 -0.60 -0.23 0.00 1.00 0.00 0.00 64.86 65.08 1vk0 h ILE 42 Cb 0.14 1.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1vk0 h ILE 42 CO -0.00 0.17 -0.84 -0.07 0.00 0.00 0.00 178.15 177.40 1vk0 h LEU 43 N -0.12 0.83 0.00 1.44 3.38 -1.19 -3.41 115.31 116.23 1vk0 h LEU 43 Ca 0.02 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1vk0 h LEU 43 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1vk0 h LEU 43 CO 0.00 1.37 -0.17 0.59 0.09 0.00 0.00 178.44 180.32 1vk0 n ASN 44 N -3.89 0.71 0.00 -0.43 5.03 0.15 -4.81 115.26 112.01 1vk0 n ASN 44 Ca -0.08 -0.44 0.00 0.00 0.87 0.00 0.00 54.58 54.93 1vk0 n ASN 44 Cb 0.78 1.00 0.00 0.00 -1.02 0.00 0.00 39.78 40.54 1vk0 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1vk0 n GLY 45 N 1.22 1.92 2.40 7.41 0.00 -0.39 -4.90 105.19 112.84 1vk0 n GLY 45 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.38 -5.55 -1.38 1.61 5.03 -0.93 -3.13 115.26 110.54 1vk0 n ASN 46 Ca 0.00 0.05 -0.15 0.00 0.87 0.00 0.00 54.58 55.35 1vk0 n ASN 46 Cb 0.20 -4.61 -0.04 0.00 -1.02 0.00 0.00 39.78 34.31 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 -2.81 -1.10 -3.79 3.52 1.74 -0.03 -4.96 116.66 109.24 1vk0 n ARG 47 Ca -0.23 0.89 -0.36 0.00 -0.77 0.00 0.00 57.85 57.38 1vk0 n ARG 47 Cb 0.67 -5.10 -0.06 0.00 -1.02 0.00 0.00 32.46 26.95 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 -2.63 3.85 -0.14 7.54 0.00 -1.18 -0.83 121.76 128.36 1vk0 s ALA 48 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1vk0 s ALA 48 Cb 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 21.08 1vk0 s ALA 48 CO 0.00 0.61 -0.12 0.08 0.00 0.00 0.00 175.76 176.32 1vk0 s VAL 49 N -1.11 1.44 0.07 0.00 1.01 0.64 -4.77 120.40 117.68 1vk0 s VAL 49 Ca 0.20 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 1vk0 s VAL 49 Cb -0.13 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1vk0 s VAL 49 CO 0.09 0.43 0.50 -0.63 0.00 0.00 0.00 175.10 175.49 1vk0 s ILE 50 N 1.54 4.89 0.10 2.22 1.09 0.11 -0.03 121.20 131.12 1vk0 s ILE 50 Ca 0.05 0.95 -0.07 0.00 -1.10 0.00 0.00 60.65 60.48 1vk0 s ILE 50 Cb -0.13 -3.78 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1vk0 s ILE 50 CO -0.10 0.48 0.18 0.72 -0.10 0.00 0.00 174.94 176.11 1vk0 s PHE 51 N -1.20 0.29 0.07 3.97 -0.12 -0.19 0.77 117.98 121.57 1vk0 s PHE 51 Ca 0.29 -0.72 -0.11 0.00 -0.05 0.00 0.00 56.93 56.35 1vk0 s PHE 51 Cb -0.17 -0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.10 1vk0 s PHE 51 CO 0.17 -0.56 0.24 0.34 -0.05 0.00 0.00 175.22 175.36 1vk0 s ASP 52 N -2.90 -0.00 0.08 1.98 3.68 -0.73 -4.44 116.67 114.34 1vk0 s ASP 52 Ca 0.09 -0.43 0.05 0.00 2.13 0.00 0.00 52.55 54.40 1vk0 s ASP 52 Cb 0.05 0.35 -0.03 0.00 -1.45 0.00 0.00 42.92 41.83 1vk0 s ASP 52 CO -0.08 -0.67 -0.13 0.68 0.13 0.00 0.00 175.17 175.10 1vk0 s VAL 53 N -3.20 1.12 0.01 1.11 -7.23 -1.26 -1.16 120.40 109.79 1vk0 s VAL 53 Ca -0.00 -1.43 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 1vk0 s VAL 53 Cb 0.02 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 1vk0 s VAL 53 CO -0.07 -0.32 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.98 1vk0 s TYR 54 N -1.62 0.98 0.09 2.82 1.51 -0.41 -5.00 117.35 115.72 1vk0 s TYR 54 Ca 0.01 -0.26 0.10 0.00 -1.01 0.00 0.00 57.07 55.91 1vk0 s TYR 54 Cb -0.08 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1vk0 s TYR 54 CO 0.02 -0.01 -0.26 -1.58 -1.11 0.00 0.00 175.55 172.61 1vk0 s TRP 55 N -0.53 2.26 -0.31 2.71 0.52 -1.26 -0.33 118.94 122.00 1vk0 s TRP 55 Ca 0.02 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.60 1vk0 s TRP 55 Cb -0.06 -1.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1vk0 s TRP 55 CO 0.00 0.24 0.32 0.34 0.02 0.00 0.00 176.95 177.87 1vk0 s ASP 56 N -1.68 6.16 -0.22 2.95 2.15 0.01 -4.78 116.67 121.25 1vk0 s ASP 56 Ca 0.12 -0.06 -0.25 0.00 0.43 0.00 0.00 52.55 52.80 1vk0 s ASP 56 Cb -0.10 -2.18 -0.01 0.00 -0.30 0.00 0.00 42.92 40.33 1vk0 s ASP 56 CO 0.04 -0.23 0.83 -0.69 -0.17 0.00 0.00 175.17 174.95 1vk0 s VAL 57 N 1.96 4.85 0.00 1.11 1.01 -1.26 -0.88 120.40 127.19 1vk0 s VAL 57 Ca 0.11 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1vk0 s VAL 57 Cb -0.16 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1vk0 s VAL 57 CO 0.11 -0.05 -0.03 -0.83 0.00 0.00 0.00 175.10 174.30 1vk0 s GLY 58 N 1.29 1.81 -0.61 4.51 0.00 -0.91 -4.95 107.32 108.46 1vk0 s GLY 58 Ca 0.36 -0.99 -0.23 0.00 0.00 0.00 0.00 44.72 43.85 1vk0 s GLY 58 CO 0.09 -0.86 0.95 -1.36 0.00 0.00 0.00 173.10 171.92 1vk0 s PHE 59 N -1.05 2.72 0.00 1.90 2.99 -1.26 -4.37 117.98 118.91 1vk0 s PHE 59 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 56.93 56.80 1vk0 s PHE 59 Cb -0.11 -4.18 0.00 0.00 0.00 0.00 0.00 43.02 38.73 1vk0 s PHE 59 CO 0.09 -1.52 0.00 0.25 -0.00 0.00 0.00 175.22 174.04 1vk0 n THR 66 N 6.04 0.00 0.22 0.64 -2.24 -1.26 -4.68 114.28 113.00 1vk0 n THR 66 Ca -0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1vk0 n THR 66 Cb 0.46 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.20 1vk0 n THR 66 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1vk0 h LYS 67 N 0.00 0.00 0.00 -0.78 1.79 -2.05 -1.03 116.57 114.50 1vk0 h LYS 67 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1vk0 h LYS 67 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1vk0 h LYS 67 CO 0.00 0.21 -0.10 0.25 -1.08 0.00 0.00 179.45 178.73 1vk0 n THR 68 N -4.17 0.03 -0.38 -0.16 -2.24 -1.26 -4.10 114.28 102.00 1vk0 n THR 68 Ca -0.02 -0.01 0.36 0.00 -2.27 0.00 0.00 64.05 62.11 1vk0 n THR 68 Cb 0.27 -0.36 0.73 0.00 -2.10 0.00 0.00 70.33 68.88 1vk0 n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1vk0 h SER 69 N 0.00 0.06 1.01 3.42 0.02 -1.56 -1.32 113.55 115.18 1vk0 h SER 69 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1vk0 h SER 69 Cb 0.51 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1vk0 h SER 69 CO 0.00 -0.00 0.00 1.23 -1.14 0.00 0.00 176.83 176.92 1vk0 h GLY 70 N 0.05 0.00 -4.23 -3.77 0.00 -1.76 -3.45 103.07 89.90 1vk0 h GLY 70 Ca 0.63 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.44 1vk0 h GLY 70 CO -0.06 0.00 0.55 -0.98 0.00 0.00 0.00 176.54 176.06 1vk0 s TRP 71 N -3.42 3.44 0.02 5.60 0.52 -0.50 -2.14 118.94 122.46 1vk0 s TRP 71 Ca 0.04 1.40 0.04 0.00 0.02 0.00 0.00 56.10 57.60 1vk0 s TRP 71 Cb 0.09 -3.42 -0.02 0.00 -1.15 0.00 0.00 33.47 28.98 1vk0 s TRP 71 CO 0.49 -1.19 -0.11 -1.54 0.02 0.00 0.00 176.95 174.62 1vk0 s SER 72 N 0.33 1.31 -0.11 2.95 1.04 -0.06 -4.92 113.70 114.24 1vk0 s SER 72 Ca 0.54 -0.34 -0.29 0.00 0.48 0.00 0.00 55.95 56.34 1vk0 s SER 72 Cb -0.32 -0.10 -0.05 0.00 0.10 0.00 0.00 66.02 65.65 1vk0 s SER 72 CO 0.35 0.04 1.81 -0.22 0.98 0.00 0.00 173.24 176.20 1vk0 s LEU 73 N -0.78 4.08 -0.02 2.42 2.96 -1.26 -0.81 118.68 125.27 1vk0 s LEU 73 Ca 0.01 2.11 0.15 0.00 -0.22 0.00 0.00 54.13 56.18 1vk0 s LEU 73 Cb -0.06 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.86 1vk0 s LEU 73 CO 0.00 -1.22 0.33 -1.54 -1.32 0.00 0.00 176.35 172.60 1vk0 n SER 74 N 8.35 1.47 -3.68 3.68 3.41 0.55 -4.76 113.62 122.64 1vk0 n SER 74 Ca 0.20 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.67 1vk0 n SER 74 Cb 0.43 1.68 -0.08 0.00 -0.26 0.00 0.00 64.21 65.99 1vk0 n SER 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vk0 s SER 75 N -3.80 -0.33 -0.05 4.04 0.01 -0.98 -0.80 113.70 111.78 1vk0 s SER 75 Ca -0.06 0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.47 1vk0 s SER 75 Cb 0.10 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.73 1vk0 s SER 75 CO 0.64 -0.51 -0.07 -0.69 0.41 0.00 0.00 173.24 173.01 1vk0 s VAL 76 N -1.40 0.77 -0.14 3.43 1.01 -0.33 -1.28 120.40 122.46 1vk0 s VAL 76 Ca -0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1vk0 s VAL 76 Cb -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1vk0 s VAL 76 CO 0.05 0.28 0.07 -0.75 0.00 0.00 0.00 175.10 174.75 1vk0 s LYS 77 N 0.83 3.60 -0.11 2.72 2.20 -0.31 -0.43 119.74 128.23 1vk0 s LYS 77 Ca -0.12 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1vk0 s LYS 77 Cb -0.15 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1vk0 s LYS 77 CO 0.01 0.51 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.91 1vk0 s LEU 78 N -0.30 1.34 -0.00 5.43 1.43 0.15 -1.77 118.68 124.95 1vk0 s LEU 78 Ca 0.09 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1vk0 s LEU 78 Cb -0.12 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 1vk0 s LEU 78 CO 0.02 -0.09 -0.25 -0.44 0.23 0.00 0.00 176.35 175.82 1vk0 s SER 79 N 1.52 2.91 0.41 2.29 0.01 0.23 -0.50 113.70 120.57 1vk0 s SER 79 Ca 0.02 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.82 1vk0 s SER 79 Cb -0.13 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.79 1vk0 s SER 79 CO -0.07 0.29 0.04 0.35 0.41 0.00 0.00 173.24 174.25 1vk0 n THR 80 N 2.31 0.00 -0.13 1.44 -2.24 0.63 -0.71 114.28 115.59 1vk0 n THR 80 Ca -0.16 -2.07 -0.06 0.00 -2.27 0.00 0.00 64.05 59.49 1vk0 n THR 80 Cb 0.52 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1vk0 n THR 80 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1vk0 h ARG 81 N 0.00 -0.19 0.00 -0.78 9.65 -1.90 -3.13 114.38 118.02 1vk0 h ARG 81 Ca -0.34 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.46 1vk0 h ARG 81 Cb 1.09 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.70 1vk0 h ARG 81 CO 0.56 -0.13 -0.80 -0.91 2.80 0.00 0.00 179.97 181.49 1vk0 h ASN 82 N -0.20 0.00 -4.51 -3.80 2.35 -1.94 -3.45 115.58 104.02 1vk0 h ASN 82 Ca 0.19 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.59 1vk0 h ASN 82 Cb 0.51 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.65 1vk0 h ASN 82 CO -0.54 0.36 -0.76 -0.76 -1.65 0.00 0.00 177.43 174.09 1vk0 s LEU 83 N -6.02 2.22 -0.11 1.61 1.43 -1.18 -1.20 118.68 115.43 1vk0 s LEU 83 Ca 0.02 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1vk0 s LEU 83 Cb 0.08 -0.36 0.04 0.00 0.03 0.00 0.00 46.19 45.97 1vk0 s LEU 83 CO 0.76 -0.09 0.04 0.00 0.23 0.00 0.00 176.35 177.29 1vk0 s LEU 85 N 2.04 3.42 -0.24 0.00 2.96 0.34 -1.34 118.68 125.85 1vk0 s LEU 85 Ca 0.03 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1vk0 s LEU 85 Cb -0.14 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.71 1vk0 s LEU 85 CO -0.06 0.08 -0.09 0.12 -1.32 0.00 0.00 176.35 175.08 1vk0 s PHE 86 N 0.89 3.08 -0.23 5.38 2.19 0.31 -0.67 117.98 128.93 1vk0 s PHE 86 Ca 0.02 -1.79 -0.08 0.00 0.33 0.00 0.00 56.93 55.41 1vk0 s PHE 86 Cb -0.14 -2.01 -0.04 0.00 -1.31 0.00 0.00 43.02 39.53 1vk0 s PHE 86 CO 0.02 -0.79 0.09 -0.51 1.83 0.00 0.00 175.22 175.86 1vk0 s LEU 87 N 1.26 3.65 -0.20 6.12 1.43 0.43 -1.06 118.68 130.30 1vk0 s LEU 87 Ca -0.02 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1vk0 s LEU 87 Cb -0.17 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1vk0 s LEU 87 CO -0.06 0.03 0.23 -0.13 0.23 0.00 0.00 176.35 176.65 1vk0 s ARG 88 N 1.25 4.18 0.11 1.70 0.52 0.86 -1.19 118.95 126.37 1vk0 s ARG 88 Ca 0.05 -0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.25 1vk0 s ARG 88 Cb -0.14 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1vk0 s ARG 88 CO 0.04 0.16 -0.06 -0.51 0.02 0.00 0.00 175.30 174.95 1vk0 s LEU 89 N 0.73 3.19 0.75 2.53 1.43 0.02 -0.27 118.68 127.07 1vk0 s LEU 89 Ca 0.12 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1vk0 s LEU 89 Cb -0.13 -1.95 0.10 0.00 0.03 0.00 0.00 46.19 44.24 1vk0 s LEU 89 CO 0.03 0.17 1.06 -2.16 0.23 0.00 0.00 176.35 175.68 1vk0 s PRO 90 N -2.33 1.78 -0.09 1.29 0.04 -1.24 -4.79 135.00 129.67 1vk0 s PRO 90 Ca 0.23 -0.49 -0.01 0.00 0.04 0.00 0.00 61.00 60.77 1vk0 s PRO 90 Cb -0.11 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1vk0 s PRO 90 CO 0.16 -1.50 -0.01 0.21 0.04 0.00 0.00 177.00 175.90 1vk0 s LYS 91 N -5.34 0.78 0.80 4.56 2.20 -1.26 -4.14 119.74 117.34 1vk0 s LYS 91 Ca 0.64 -0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 56.13 1vk0 s LYS 91 Cb -0.08 -1.20 0.18 0.00 -1.51 0.00 0.00 37.83 35.22 1vk0 s LYS 91 CO 0.46 -0.33 1.09 -0.35 -0.36 0.00 0.00 175.35 175.86 1vk0 n PRO 92 N 5.10 -0.85 -2.57 4.03 -0.04 -1.26 -5.14 135.00 134.27 1vk0 n PRO 92 Ca -0.08 -1.95 -0.34 0.00 -0.04 0.00 0.00 63.50 61.09 1vk0 n PRO 92 Cb 0.50 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 1vk0 n PRO 92 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1vk0 s PHE 93 N -3.32 3.06 0.52 0.54 0.40 -1.26 -5.02 117.98 112.90 1vk0 s PHE 93 Ca 0.64 1.59 0.05 0.00 -0.60 0.00 0.00 56.93 58.61 1vk0 s PHE 93 Cb -0.02 -3.06 0.02 0.00 0.51 0.00 0.00 43.02 40.47 1vk0 s PHE 93 CO 0.44 -0.74 0.34 -1.01 0.70 0.00 0.00 175.22 174.95 1vk0 s HIS 94 N -1.95 1.80 -0.08 0.36 3.76 -1.26 -5.03 115.29 112.88 1vk0 s HIS 94 Ca 0.66 -0.81 0.29 0.00 -0.15 0.00 0.00 55.06 55.04 1vk0 s HIS 94 Cb -0.16 -1.90 1.37 0.00 1.11 0.00 0.00 32.58 33.00 1vk0 s HIS 94 CO 0.20 -0.32 1.86 -0.44 -0.85 0.00 0.00 174.74 175.20 1vk0 h ASP 95 N 0.89 0.00 0.15 1.40 3.45 -1.98 -1.51 116.42 118.82 1vk0 h ASP 95 Ca -0.38 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.08 1vk0 h ASP 95 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1vk0 h ASP 95 CO 0.60 0.00 0.00 -0.55 -1.57 0.00 0.00 179.24 177.72 1vk0 h ASN 96 N 0.00 0.00 0.66 6.45 -1.07 -1.90 -1.46 115.58 118.27 1vk0 h ASN 96 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1vk0 h ASN 96 Cb 0.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 1vk0 h ASN 96 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 1vk0 n LEU 97 N -3.05 0.00 -0.23 6.14 4.77 -0.57 -3.54 117.00 120.52 1vk0 n LEU 97 Ca -0.02 0.33 0.15 0.00 -0.03 0.00 0.00 56.01 56.44 1vk0 n LEU 97 Cb 0.10 -0.33 0.45 0.00 -2.33 0.00 0.00 43.42 41.31 1vk0 n LEU 97 CO 0.21 -0.00 1.22 0.11 -1.33 0.00 0.00 177.39 177.59 1vk0 h LYS 98 N 0.00 0.51 -0.70 3.23 1.57 -1.45 0.22 116.57 119.94 1vk0 h LYS 98 Ca 0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1vk0 h LYS 98 Cb 0.33 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1vk0 h LYS 98 CO 0.00 0.34 0.46 -0.44 -0.57 0.00 0.00 179.45 179.24 1vk0 h ASP 99 N 0.53 0.81 -0.50 0.86 3.32 -1.79 -1.01 116.42 118.64 1vk0 h ASP 99 Ca 0.43 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.41 1vk0 h ASP 99 Cb 0.89 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1vk0 h ASP 99 CO -0.17 0.59 0.12 0.25 -1.72 0.00 0.00 179.24 178.30 1vk0 h LEU 100 N 0.95 0.76 -0.62 1.55 5.85 -1.18 -1.73 115.31 120.90 1vk0 h LEU 100 Ca 0.26 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1vk0 h LEU 100 Cb -0.11 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 1vk0 h LEU 100 CO -0.05 0.80 0.37 1.88 -0.34 0.00 0.00 178.44 181.09 1vk0 h TYR 101 N 0.69 0.68 -0.37 1.25 0.05 -1.21 -0.68 116.97 117.38 1vk0 h TYR 101 Ca 0.16 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.84 1vk0 h TYR 101 Cb 0.34 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1vk0 h TYR 101 CO 0.02 0.38 -0.24 0.00 -1.05 0.00 0.00 178.16 177.27 1vk0 h ARG 102 N 0.71 0.74 -0.45 4.88 3.08 -1.11 -2.09 114.38 120.15 1vk0 h ARG 102 Ca 0.25 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1vk0 h ARG 102 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1vk0 h ARG 102 CO -0.12 0.90 0.01 0.35 -1.07 0.00 0.00 179.97 180.05 1vk0 h PHE 103 N 0.64 0.85 0.00 3.04 3.57 -0.95 -2.70 116.94 121.40 1vk0 h PHE 103 Ca 0.09 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1vk0 h PHE 103 Cb 0.74 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1vk0 h PHE 103 CO 0.04 0.82 -0.01 0.74 -2.23 0.00 0.00 178.31 177.67 1vk0 h PHE 104 N 0.63 0.00 -0.04 0.41 0.05 -0.90 -2.57 116.94 114.52 1vk0 h PHE 104 Ca 0.13 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.92 1vk0 h PHE 104 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.43 1vk0 h PHE 104 CO 0.04 0.01 0.00 0.00 -0.18 0.00 0.00 178.31 178.17 1vk0 n ALA 105 N -2.10 2.60 -1.78 2.45 0.00 -0.80 -3.57 120.51 117.31 1vk0 n ALA 105 Ca 0.01 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 1vk0 n ALA 105 Cb 0.32 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.87 6.28 -0.06 0.00 0.15 -0.97 -4.50 113.70 112.73 1vk0 s SER 106 Ca 0.38 2.17 0.20 0.00 0.70 0.00 0.00 55.95 59.40 1vk0 s SER 106 Cb 0.20 -2.59 0.66 0.00 -1.71 0.00 0.00 66.02 62.58 1vk0 s SER 106 CO 0.32 -0.83 1.56 0.29 1.20 0.00 0.00 173.24 175.78 1vk0 n LYS 107 N -0.56 3.22 0.09 5.44 5.02 -1.26 -4.30 118.16 125.81 1vk0 n LYS 107 Ca 0.08 -2.74 -0.07 0.00 -2.02 0.00 0.00 58.31 53.56 1vk0 n LYS 107 Cb 0.49 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.82 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 4.01 0.22 -3.43 2.13 -1.00 -1.95 -3.46 116.94 113.46 1vk0 h PHE 108 Ca 0.00 -0.12 -0.32 0.00 2.81 0.00 0.00 57.97 60.34 1vk0 h PHE 108 Cb 1.20 -0.03 -0.15 0.00 3.61 0.00 0.00 35.95 40.59 1vk0 h PHE 108 CO 0.61 0.91 -0.71 0.14 -1.61 0.00 0.00 178.31 177.64 1vk0 s VAL 109 N -3.27 1.13 -0.19 -0.55 -7.23 -1.26 -4.88 120.40 104.15 1vk0 s VAL 109 Ca -0.02 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 1vk0 s VAL 109 Cb 0.11 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 1vk0 s VAL 109 CO 0.81 -0.75 0.19 -0.89 -0.31 0.00 0.00 175.10 174.16 1vk0 s THR 110 N -3.31 5.37 -0.37 5.32 2.01 -0.01 -4.84 115.64 119.80 1vk0 s THR 110 Ca 0.16 0.32 -0.22 0.00 0.31 0.00 0.00 61.69 62.26 1vk0 s THR 110 Cb 0.02 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1vk0 s THR 110 CO 0.00 0.41 0.72 -0.36 -0.69 0.00 0.00 174.62 174.70 1vk0 s PHE 111 N 0.49 3.11 -0.20 4.92 0.08 -0.66 -0.26 117.98 125.46 1vk0 s PHE 111 Ca 0.11 0.40 -0.04 0.00 0.12 0.00 0.00 56.93 57.52 1vk0 s PHE 111 Cb -0.12 -3.33 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 1vk0 s PHE 111 CO 0.01 -0.73 -0.03 0.08 -0.10 0.00 0.00 175.22 174.45 1vk0 s VAL 112 N 2.96 3.60 0.31 -0.44 1.01 0.95 -1.01 120.40 127.78 1vk0 s VAL 112 Ca 0.28 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1vk0 s VAL 112 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1vk0 s VAL 112 CO 0.17 0.44 0.14 -0.83 0.00 0.00 0.00 175.10 175.02 1vk0 s GLY 113 N 1.14 2.08 -0.09 4.51 0.00 -0.78 -1.02 107.32 113.16 1vk0 s GLY 113 Ca 0.02 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.05 1vk0 s GLY 113 CO 0.00 -1.62 -0.24 0.14 0.00 0.00 0.00 173.10 171.38 1vk0 s VAL 114 N -3.57 2.06 -1.12 1.40 1.01 -1.26 -1.07 120.40 117.84 1vk0 s VAL 114 Ca 0.35 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 1vk0 s VAL 114 Cb 0.05 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 1vk0 s VAL 114 CO 0.17 0.56 0.78 0.00 0.00 0.00 0.00 175.10 176.61 1vk0 n GLN 115 N 3.38 -1.14 -0.10 2.72 1.13 -1.26 -4.92 117.38 117.19 1vk0 n GLN 115 Ca -0.19 0.46 0.06 0.00 -1.94 0.00 0.00 57.00 55.39 1vk0 n GLN 115 Cb 0.53 -3.97 0.11 0.00 0.11 0.00 0.00 30.24 27.02 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 -4.14 0.53 0.13 5.09 -5.35 -1.26 -4.67 119.36 109.68 1vk0 n ILE 116 Ca -0.10 -0.77 -0.14 0.00 -0.27 0.00 0.00 62.75 61.48 1vk0 n ILE 116 Cb 0.59 0.85 -0.08 0.00 -1.74 0.00 0.00 39.64 39.26 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 2.23 -0.23 -0.41 6.28 4.81 -1.99 0.15 114.58 125.42 1vk0 h GLU 117 Ca 0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1vk0 h GLU 117 Cb 0.63 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1vk0 h GLU 117 CO 0.00 -0.15 0.05 0.93 -0.73 0.00 0.00 179.01 179.11 1vk0 h GLU 118 N -0.24 0.69 -0.68 1.92 4.39 -2.01 -2.91 114.58 115.74 1vk0 h GLU 118 Ca -0.02 -0.19 0.10 0.00 0.34 0.00 0.00 59.36 59.58 1vk0 h GLU 118 Cb 0.19 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.69 1vk0 h GLU 118 CO 0.04 0.74 0.31 -0.44 -1.16 0.00 0.00 179.01 178.51 1vk0 h ASP 119 N 0.54 0.37 -0.76 1.42 3.32 -1.70 -1.47 116.42 118.15 1vk0 h ASP 119 Ca 0.12 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1vk0 h ASP 119 Cb 0.40 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1vk0 h ASP 119 CO 0.01 0.21 0.36 -0.07 -1.72 0.00 0.00 179.24 178.03 1vk0 h LEU 120 N 0.53 1.00 -0.42 1.55 3.38 -0.56 0.32 115.31 121.11 1vk0 h LEU 120 Ca 0.34 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1vk0 h LEU 120 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1vk0 h LEU 120 CO -0.29 0.85 0.03 0.44 0.09 0.00 0.00 178.44 179.56 1vk0 h ASP 121 N 1.10 0.70 -0.24 -0.43 3.32 -1.21 -2.00 116.42 117.65 1vk0 h ASP 121 Ca 0.27 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1vk0 h ASP 121 Cb 0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1vk0 h ASP 121 CO -0.03 0.81 0.14 -0.07 -1.72 0.00 0.00 179.24 178.37 1vk0 h LEU 122 N 0.56 0.29 0.01 1.55 3.38 -1.01 0.10 115.31 120.19 1vk0 h LEU 122 Ca 0.12 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1vk0 h LEU 122 Cb 0.44 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1vk0 h LEU 122 CO 0.02 0.26 -0.27 -0.07 0.09 0.00 0.00 178.44 178.46 1vk0 h LEU 123 N 0.29 -0.80 -0.53 1.67 3.38 -0.89 0.11 115.31 118.54 1vk0 h LEU 123 Ca 0.09 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1vk0 h LEU 123 Cb 0.02 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1vk0 h LEU 123 CO -0.02 -0.34 0.22 -0.09 0.09 0.00 0.00 178.44 178.31 1vk0 h ARG 124 N -0.42 0.79 0.21 1.13 2.43 -1.03 -0.55 114.38 116.94 1vk0 h ARG 124 Ca 0.06 -0.14 -0.32 0.00 -0.81 0.00 0.00 59.98 58.77 1vk0 h ARG 124 Cb 0.50 -0.13 0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1vk0 h ARG 124 CO -0.23 0.68 -1.38 0.93 -1.51 0.00 0.00 179.97 178.46 1vk0 h GLU 125 N 0.72 0.57 0.00 0.20 5.08 -0.52 -0.85 114.58 119.79 1vk0 h GLU 125 Ca 0.18 -0.89 -0.19 0.00 -1.00 0.00 0.00 59.36 57.46 1vk0 h GLU 125 Cb 0.18 0.32 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1vk0 h GLU 125 CO -0.02 1.42 -1.57 0.09 -1.00 0.00 0.00 179.01 177.94 1vk0 n ASN 126 N -3.76 0.73 0.00 1.42 4.13 0.36 -4.53 115.26 113.62 1vk0 n ASN 126 Ca -0.16 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1vk0 n ASN 126 Cb 1.06 0.34 0.00 0.00 -1.54 0.00 0.00 39.78 39.63 1vk0 n ASN 126 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1vk0 n HIS 127 N -2.85 0.00 -2.04 3.10 8.25 -0.28 -4.99 115.22 116.41 1vk0 n HIS 127 Ca -0.12 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.13 1vk0 n HIS 127 Cb 0.87 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.94 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 0.65 0.63 3.69 -1.41 0.00 -0.32 -4.96 105.19 103.46 1vk0 n GLY 128 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.40 4.21 -0.12 0.99 0.20 -0.85 -4.91 118.68 112.80 1vk0 s LEU 129 Ca 0.00 0.83 0.03 0.00 0.69 0.00 0.00 54.13 55.68 1vk0 s LEU 129 Cb 0.00 -2.80 0.01 0.00 -0.43 0.00 0.00 46.19 42.96 1vk0 s LEU 129 CO 0.00 -0.14 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.01 1vk0 s VAL 130 N 1.27 2.01 -0.49 1.68 1.01 -1.26 -2.46 120.40 122.16 1vk0 s VAL 130 Ca 0.28 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1vk0 s VAL 130 Cb -0.16 -1.77 0.10 0.00 0.00 0.00 0.00 36.38 34.55 1vk0 s VAL 130 CO 0.11 0.54 0.41 -0.63 0.00 0.00 0.00 175.10 175.53 1vk0 s ILE 131 N 0.67 5.01 0.35 2.22 1.01 -1.26 -3.84 121.20 125.35 1vk0 s ILE 131 Ca -0.11 -1.31 0.19 0.00 0.00 0.00 0.00 60.65 59.42 1vk0 s ILE 131 Cb -0.16 -4.10 0.18 0.00 0.01 0.00 0.00 42.46 38.38 1vk0 s ILE 131 CO 0.02 -0.68 1.90 0.03 0.00 0.00 0.00 174.94 176.21 1vk0 h ARG 132 N 8.73 0.00 -2.56 2.79 3.08 -1.79 -3.35 114.38 121.29 1vk0 h ARG 132 Ca -0.28 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.18 1vk0 h ARG 132 Cb 1.10 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.75 1vk0 h ARG 132 CO 0.91 0.27 -0.82 -1.71 -1.07 0.00 0.00 179.97 177.55 1vk0 n ASN 133 N -3.85 1.10 -4.51 7.04 4.05 -1.26 -5.09 115.26 112.74 1vk0 n ASN 133 Ca -0.02 -2.77 -0.26 0.00 0.45 0.00 0.00 54.58 51.98 1vk0 n ASN 133 Cb 0.36 -0.64 -0.10 0.00 1.23 0.00 0.00 39.78 40.63 1vk0 n ASN 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1vk0 s ALA 134 N -0.78 2.79 -0.04 5.20 0.00 -1.26 -1.65 121.76 126.02 1vk0 s ALA 134 Ca 0.31 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 1vk0 s ALA 134 Cb 0.03 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1vk0 s ALA 134 CO -0.17 0.42 0.10 -1.50 0.00 0.00 0.00 175.76 174.61 1vk0 s ILE 135 N -1.82 -0.03 -0.60 0.00 2.07 -0.18 -4.92 121.20 115.72 1vk0 s ILE 135 Ca 0.24 0.11 -0.21 0.00 -1.41 0.00 0.00 60.65 59.38 1vk0 s ILE 135 Cb -0.08 -0.17 0.07 0.00 0.13 0.00 0.00 42.46 42.41 1vk0 s ILE 135 CO 0.14 0.05 0.83 0.21 -1.91 0.00 0.00 174.94 174.26 1vk0 s ASN 136 N 0.69 6.21 0.48 4.50 2.47 -1.26 -1.87 114.94 126.16 1vk0 s ASN 136 Ca -0.05 -0.99 0.27 0.00 0.42 0.00 0.00 52.86 52.51 1vk0 s ASN 136 Cb -0.07 -2.37 0.90 0.00 -1.45 0.00 0.00 41.25 38.26 1vk0 s ASN 136 CO -0.03 -1.23 1.81 1.62 -3.72 0.00 0.00 177.10 175.55 1vk0 h VAL 137 N 5.95 0.19 -0.58 -5.21 3.04 -1.50 -2.95 116.25 115.20 1vk0 h VAL 137 Ca -0.28 -0.90 -0.03 0.00 -1.01 0.00 0.00 66.70 64.48 1vk0 h VAL 137 Cb 1.08 1.76 -0.03 0.00 -2.01 0.00 0.00 31.29 32.10 1vk0 h VAL 137 CO 1.11 0.09 0.26 1.23 -1.01 0.00 0.00 177.57 179.24 1vk0 h GLY 138 N 2.67 0.89 0.99 3.17 0.00 -1.81 0.69 103.07 109.67 1vk0 h GLY 138 Ca -0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1vk0 h GLY 138 CO 0.01 0.41 0.06 1.70 0.00 0.00 0.00 176.54 178.72 1vk0 h LYS 139 N 0.82 0.84 -0.44 4.80 3.64 -1.78 0.29 116.57 124.74 1vk0 h LYS 139 Ca 0.20 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1vk0 h LYS 139 Cb 0.12 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1vk0 h LYS 139 CO -0.02 0.84 -0.29 1.25 -2.27 0.00 0.00 179.45 178.96 1vk0 h LEU 140 N 0.71 1.02 -0.17 5.20 5.85 -1.60 -1.84 115.31 124.49 1vk0 h LEU 140 Ca 0.15 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1vk0 h LEU 140 Cb 0.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1vk0 h LEU 140 CO 0.01 1.23 0.09 0.00 -0.34 0.00 0.00 178.44 179.43 1vk0 h ALA 141 N 0.82 0.21 -0.69 1.25 0.00 -0.39 -0.20 119.26 120.26 1vk0 h ALA 141 Ca 0.09 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1vk0 h ALA 141 Cb 0.88 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1vk0 h ALA 141 CO 0.08 -0.25 0.40 0.00 0.00 0.00 0.00 179.25 179.48 1vk0 h ALA 142 N 0.98 0.93 -0.06 0.00 0.00 -0.21 -1.41 119.26 119.48 1vk0 h ALA 142 Ca 0.06 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1vk0 h ALA 142 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1vk0 h ALA 142 CO -0.01 0.11 -0.78 1.49 0.00 0.00 0.00 179.25 180.05 1vk0 h GLU 143 N 0.75 0.43 -0.27 0.00 4.81 -0.98 -1.14 114.58 118.19 1vk0 h GLU 143 Ca 0.30 -0.38 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 1vk0 h GLU 143 Cb 0.15 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1vk0 h GLU 143 CO -0.17 1.02 -0.39 0.00 -0.73 0.00 0.00 179.01 178.75 1vk0 h ALA 144 N 0.86 0.41 -0.01 2.92 0.00 -0.75 -3.18 119.26 119.51 1vk0 h ALA 144 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1vk0 h ALA 144 Cb 1.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1vk0 h ALA 144 CO 0.14 0.50 -0.20 0.54 0.00 0.00 0.00 179.25 180.23 1vk0 n ARG 145 N -4.18 0.78 -3.94 0.00 5.12 -0.56 -4.96 116.66 108.91 1vk0 n ARG 145 Ca -0.04 -0.40 -0.32 0.00 -1.93 0.00 0.00 57.85 55.16 1vk0 n ARG 145 Cb 0.53 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1vk0 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vk0 n GLY 146 N 1.32 -0.48 2.84 -0.13 0.00 -0.49 -4.96 105.19 103.29 1vk0 n GLY 146 Ca 0.13 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.23 1.70 0.27 2.61 2.01 -0.83 -5.03 115.64 113.15 1vk0 s THR 147 Ca 0.66 -2.35 -0.00 0.00 0.31 0.00 0.00 61.69 60.30 1vk0 s THR 147 Cb -0.34 -2.23 0.27 0.00 0.01 0.00 0.00 72.50 70.20 1vk0 s THR 147 CO 0.81 -0.75 1.83 -0.07 -0.69 0.00 0.00 174.62 175.75 1vk0 h LEU 148 N 7.25 0.85 -2.23 4.42 3.38 -1.93 -2.17 115.31 124.87 1vk0 h LEU 148 Ca -0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1vk0 h LEU 148 Cb 0.97 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1vk0 h LEU 148 CO 0.53 0.46 0.00 1.62 0.09 0.00 0.00 178.44 181.13 1vk0 h VAL 149 N 0.93 0.00 0.00 1.22 3.04 -1.95 -3.02 116.25 116.47 1vk0 h VAL 149 Ca 0.47 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.99 1vk0 h VAL 149 Cb 0.46 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1vk0 h VAL 149 CO -0.27 0.00 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.12 1vk0 h LEU 150 N 0.00 0.00 -2.26 3.16 3.38 -1.69 -0.53 115.31 117.37 1vk0 h LEU 150 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1vk0 h LEU 150 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1vk0 h LEU 150 CO 0.00 0.10 -0.05 -0.08 0.09 0.00 0.00 178.44 178.51 1vk0 h GLU 151 N 0.00 0.00 -0.19 1.13 4.81 -1.54 -3.15 114.58 115.64 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 0.30 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1vk0 h GLU 151 CO 0.01 0.05 -0.08 1.19 -0.73 0.00 0.00 179.01 179.45 1vk0 n PHE 152 N -3.46 0.64 -4.17 0.92 3.72 -0.21 -4.65 117.46 110.26 1vk0 n PHE 152 Ca -0.02 -1.19 -0.31 0.00 -0.05 0.00 0.00 57.45 55.87 1vk0 n PHE 152 Cb 0.17 -0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 38.31 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 -3.01 3.62 1.07 4.37 1.43 -1.19 -5.10 118.68 119.86 1vk0 s LEU 153 Ca 0.40 -0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 1vk0 s LEU 153 Cb 0.35 -2.20 0.24 0.00 0.03 0.00 0.00 46.19 44.60 1vk0 s LEU 153 CO 0.03 0.23 1.22 -0.83 0.23 0.00 0.00 176.35 177.23 1vk0 s GLY 154 N -1.96 1.69 0.10 -3.19 0.00 -1.26 -4.70 107.32 97.99 1vk0 s GLY 154 Ca 0.24 -1.07 -0.29 0.00 0.00 0.00 0.00 44.72 43.60 1vk0 s GLY 154 CO 0.15 -0.25 1.64 -0.84 0.00 0.00 0.00 173.10 173.80 1vk0 h THR 155 N -2.05 0.43 0.14 0.90 2.02 -1.99 0.82 112.91 113.17 1vk0 h THR 155 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1vk0 h THR 155 Cb 1.26 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1vk0 h THR 155 CO 0.37 0.00 -0.14 -0.09 0.37 0.00 0.00 175.52 176.03 1vk0 h ARG 156 N -0.58 -0.30 -0.44 6.66 1.12 -1.96 -1.93 114.38 116.95 1vk0 h ARG 156 Ca -0.01 0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.79 1vk0 h ARG 156 Cb 0.53 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.54 1vk0 h ARG 156 CO -0.05 -0.20 -0.08 1.49 -3.11 0.00 0.00 179.97 178.02 1vk0 h GLU 157 N -0.31 0.78 -0.49 0.20 4.57 -1.89 0.16 114.58 117.61 1vk0 h GLU 157 Ca 0.00 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 1vk0 h GLU 157 Cb 0.29 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1vk0 h GLU 157 CO -0.03 0.84 0.27 1.25 -1.18 0.00 0.00 179.01 180.16 1vk0 h LEU 158 N 0.71 0.61 -1.04 1.64 5.85 -0.76 -0.85 115.31 121.47 1vk0 h LEU 158 Ca 0.13 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1vk0 h LEU 158 Cb 0.56 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1vk0 h LEU 158 CO 0.03 0.52 0.52 0.00 -0.34 0.00 0.00 178.44 179.17 1vk0 h ALA 159 N 1.11 1.28 -0.35 1.25 0.00 -0.43 -1.15 119.26 120.97 1vk0 h ALA 159 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vk0 h ALA 159 Cb 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1vk0 h ALA 159 CO -0.03 0.62 0.15 1.25 0.00 0.00 0.00 179.25 181.24 1vk0 h HIS 160 N 1.20 0.52 0.00 0.00 -0.00 -0.37 0.16 115.15 116.66 1vk0 h HIS 160 Ca 0.31 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1vk0 h HIS 160 Cb -0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 1vk0 h HIS 160 CO 0.01 0.47 -0.06 0.00 -0.00 0.00 0.00 177.93 178.34 1vk0 h ARG 161 N 0.42 0.00 0.11 5.26 2.47 -0.68 -1.32 114.38 120.64 1vk0 h ARG 161 Ca 0.12 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.48 1vk0 h ARG 161 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1vk0 h ARG 161 CO -0.01 0.00 -1.99 0.28 0.56 0.00 0.00 179.97 178.81 1vk0 n VAL 162 N -2.61 1.74 -0.00 2.04 0.31 -0.48 -4.77 118.33 114.56 1vk0 n VAL 162 Ca 0.05 -0.61 0.04 0.00 -0.01 0.00 0.00 64.34 63.81 1vk0 n VAL 162 Cb 0.48 -1.73 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 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 -3.54 0.00 -4.22 7.52 4.77 0.04 -5.03 117.00 116.54 1vk0 n LEU 163 Ca -0.33 -0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.28 1vk0 n LEU 163 Cb 1.02 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.08 1vk0 n LEU 163 CO 0.40 0.00 -0.03 0.79 -1.33 0.00 0.00 177.39 177.22 1vk0 n TRP 164 N -1.77 -1.72 -2.64 -1.77 7.02 -0.50 -4.99 117.44 111.07 1vk0 n TRP 164 Ca -0.01 0.78 -0.23 0.00 -1.02 0.00 0.00 57.50 57.02 1vk0 n TRP 164 Cb 0.21 -2.87 0.11 0.00 -2.42 0.00 0.00 31.31 26.33 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 -3.25 4.39 -0.04 -0.99 1.04 -1.26 -5.04 113.70 108.54 1vk0 s SER 165 Ca 0.75 -0.45 -0.30 0.00 0.48 0.00 0.00 55.95 56.43 1vk0 s SER 165 Cb -0.41 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 1vk0 s SER 165 CO 0.92 -1.84 1.02 -0.62 0.98 0.00 0.00 173.24 173.70 1vk0 s ASP 166 N -4.74 7.29 -0.00 7.02 -1.08 -1.26 -4.90 116.67 118.99 1vk0 s ASP 166 Ca 0.66 1.64 0.00 0.00 -0.52 0.00 0.00 52.55 54.33 1vk0 s ASP 166 Cb -0.05 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1vk0 s ASP 166 CO 0.44 -0.37 1.00 0.18 0.52 0.00 0.00 175.17 176.94 1vk0 n LEU 167 N 4.42 1.99 -0.23 -1.34 4.77 -1.26 -4.79 117.00 120.56 1vk0 n LEU 167 Ca 0.08 -2.00 -0.01 0.00 -0.03 0.00 0.00 56.01 54.04 1vk0 n LEU 167 Cb 0.50 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.68 1vk0 n LEU 167 CO 0.52 0.50 1.08 1.23 -1.33 0.00 0.00 177.39 179.40 1vk0 h GLY 168 N 0.00 0.98 0.85 -0.72 0.00 -1.99 0.32 103.07 102.52 1vk0 h GLY 168 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1vk0 h GLY 168 CO 0.00 0.14 0.02 -1.61 0.00 0.00 0.00 176.54 175.10 1vk0 h GLN 169 N 0.67 0.09 -0.45 4.80 5.75 -2.00 -1.91 115.11 122.07 1vk0 h GLN 169 Ca 0.30 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.80 1vk0 h GLN 169 Cb 0.21 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1vk0 h GLN 169 CO -0.19 0.22 0.27 1.25 -2.65 0.00 0.00 178.83 177.73 1vk0 h LEU 170 N -0.06 0.44 -1.07 -2.39 5.85 -1.74 -2.49 115.31 113.85 1vk0 h LEU 170 Ca 0.02 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1vk0 h LEU 170 Cb 0.17 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1vk0 h LEU 170 CO -0.00 0.32 0.63 0.44 -0.34 0.00 0.00 178.44 179.48 1vk0 h ASP 171 N 0.55 1.06 0.54 1.25 3.32 -0.32 -1.50 116.42 121.32 1vk0 h ASP 171 Ca 0.18 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 1vk0 h ASP 171 Cb -0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1vk0 h ASP 171 CO -0.07 0.75 -0.63 0.77 -1.72 0.00 0.00 179.24 178.34 1vk0 h SER 172 N 1.25 0.09 -0.32 6.45 4.64 -0.91 0.82 113.55 125.57 1vk0 h SER 172 Ca 0.36 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.50 1vk0 h SER 172 Cb -0.07 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1vk0 h SER 172 CO -0.10 0.70 -0.30 0.40 -0.87 0.00 0.00 176.83 176.66 1vk0 h ILE 173 N 0.06 1.29 0.04 0.95 2.04 -1.11 -3.31 117.51 117.48 1vk0 h ILE 173 Ca -0.01 -1.47 -0.24 0.00 1.00 0.00 0.00 64.86 64.14 1vk0 h ILE 173 Cb 1.12 1.52 0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1vk0 h ILE 173 CO 0.09 0.48 -0.97 -0.33 0.00 0.00 0.00 178.15 177.41 1vk0 h GLU 174 N 0.53 0.59 -0.77 2.37 5.08 -0.32 -2.42 114.58 119.63 1vk0 h GLU 174 Ca 0.05 -0.68 0.22 0.00 -1.00 0.00 0.00 59.36 57.95 1vk0 h GLU 174 Cb 0.88 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1vk0 h GLU 174 CO 0.08 1.28 0.88 0.00 -1.00 0.00 0.00 179.01 180.25 1vk0 h ALA 175 N 0.33 2.60 -0.41 3.43 0.00 -1.01 -1.04 119.26 123.16 1vk0 h ALA 175 Ca -0.13 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 1vk0 h ALA 175 Cb 1.66 0.06 -0.34 0.00 0.00 0.00 0.00 17.79 19.17 1vk0 h ALA 175 CO 0.19 -1.28 -0.88 0.36 0.00 0.00 0.00 179.25 177.64 1vk0 n LYS 176 N -3.45 2.16 -0.31 0.00 -0.00 -0.93 -4.91 118.16 110.71 1vk0 n LYS 176 Ca 0.17 -3.50 0.09 0.00 -0.00 0.00 0.00 58.31 55.07 1vk0 n LYS 176 Cb 1.13 -1.63 0.26 0.00 -0.00 0.00 0.00 35.03 34.80 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 1.92 0.83 0.00 5.58 2.91 -0.95 0.15 115.95 126.38 1vk0 h TRP 177 Ca 0.06 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 1vk0 h TRP 177 Cb 1.41 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1vk0 h TRP 177 CO 0.63 0.16 -0.12 1.05 -1.03 0.00 0.00 178.44 179.13 1vk0 h GLU 178 N 0.63 0.00 0.02 2.65 9.09 -1.89 -2.66 114.58 122.41 1vk0 h GLU 178 Ca 0.51 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.67 1vk0 h GLU 178 Cb 0.77 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.84 1vk0 h GLU 178 CO -0.39 0.12 -1.28 0.87 0.05 0.00 0.00 179.01 178.38 1vk0 h LYS 179 N 0.00 0.04 -6.55 1.06 1.57 -1.11 -3.47 116.57 108.11 1vk0 h LYS 179 Ca -0.00 -0.07 -0.58 0.00 -1.87 0.00 0.00 60.65 58.13 1vk0 h LYS 179 Cb 0.25 0.03 0.06 0.00 0.08 0.00 0.00 32.23 32.65 1vk0 h LYS 179 CO 0.02 0.88 0.78 0.00 -0.57 0.00 0.00 179.45 180.56 1vk0 n ALA 180 N -2.46 1.47 -0.99 3.86 0.00 -0.91 -4.97 120.51 116.50 1vk0 n ALA 180 Ca -0.07 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 1vk0 n ALA 180 Cb 0.99 -2.35 0.19 0.00 0.00 0.00 0.00 19.45 18.28 1vk0 n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1vk0 s GLY 181 N 0.78 1.57 0.39 0.00 0.00 -1.26 -4.74 107.32 104.06 1vk0 s GLY 181 Ca 0.76 -0.21 0.12 0.00 0.00 0.00 0.00 44.72 45.39 1vk0 s GLY 181 CO 0.40 0.40 1.90 -2.55 0.00 0.00 0.00 173.10 173.25 1vk0 h PRO 182 N -2.03 0.56 -0.22 2.90 0.11 -1.99 -0.67 132.00 130.66 1vk0 h PRO 182 Ca -0.55 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.34 1vk0 h PRO 182 Cb 1.32 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1vk0 h PRO 182 CO 0.54 0.37 -0.59 1.49 -0.21 0.00 0.00 178.00 179.61 1vk0 h GLU 183 N 0.57 0.79 -0.27 1.05 4.81 -1.99 -0.99 114.58 118.56 1vk0 h GLU 183 Ca 0.41 -0.55 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1vk0 h GLU 183 Cb 0.75 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1vk0 h GLU 183 CO -0.16 1.18 -0.21 0.93 -0.73 0.00 0.00 179.01 180.02 1vk0 h GLU 184 N 0.54 0.49 -0.77 1.92 5.08 -1.78 0.16 114.58 120.22 1vk0 h GLU 184 Ca -0.01 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1vk0 h GLU 184 Cb 1.20 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1vk0 h GLU 184 CO 0.13 0.67 0.31 1.96 -1.00 0.00 0.00 179.01 181.08 1vk0 h GLN 185 N 0.44 1.13 -0.53 2.33 4.20 -1.06 -0.69 115.11 120.94 1vk0 h GLN 185 Ca 0.07 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 1vk0 h GLN 185 Cb 0.61 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1vk0 h GLN 185 CO 0.04 0.91 -0.08 1.25 -0.67 0.00 0.00 178.83 180.28 1vk0 h LEU 186 N 1.11 0.98 -0.40 1.46 5.85 -0.75 -1.11 115.31 122.45 1vk0 h LEU 186 Ca 0.26 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1vk0 h LEU 186 Cb 0.20 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1vk0 h LEU 186 CO -0.02 1.09 0.24 -0.08 -0.34 0.00 0.00 178.44 179.33 1vk0 h GLU 187 N 0.86 0.47 -0.80 1.25 4.81 -0.73 0.42 114.58 120.86 1vk0 h GLU 187 Ca 0.14 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1vk0 h GLU 187 Cb 0.64 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1vk0 h GLU 187 CO 0.04 0.31 0.48 0.00 -0.73 0.00 0.00 179.01 179.12 1vk0 h ALA 188 N 1.17 1.02 -0.58 2.92 0.00 -0.94 0.15 119.26 123.00 1vk0 h ALA 188 Ca 0.16 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1vk0 h ALA 188 Cb -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1vk0 h ALA 188 CO -0.07 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1vk0 h ALA 189 N 1.26 0.89 -0.31 0.00 0.00 -0.34 -1.97 119.26 118.80 1vk0 h ALA 189 Ca 0.29 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1vk0 h ALA 189 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1vk0 h ALA 189 CO -0.05 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.73 1vk0 h ALA 190 N 1.06 0.43 -0.07 0.00 0.00 0.28 -1.38 119.26 119.58 1vk0 h ALA 190 Ca 0.17 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1vk0 h ALA 190 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1vk0 h ALA 190 CO 0.03 0.30 -0.10 0.82 0.00 0.00 0.00 179.25 180.30 1vk0 h ILE 191 N 0.38 0.73 -0.80 0.00 2.04 -0.92 -1.15 117.51 117.79 1vk0 h ILE 191 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1vk0 h ILE 191 Cb 0.63 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1vk0 h ILE 191 CO 0.04 0.00 0.51 -0.33 0.00 0.00 0.00 178.15 178.37 1vk0 h GLU 192 N -0.14 1.07 0.13 2.37 5.08 -1.28 0.17 114.58 121.98 1vk0 h GLU 192 Ca 0.06 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1vk0 h GLU 192 Cb 0.22 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1vk0 h GLU 192 CO -0.15 0.73 -0.09 0.78 -1.00 0.00 0.00 179.01 179.27 1vk0 h GLY 193 N 1.11 -0.22 0.73 -3.84 0.00 -0.71 -1.28 103.07 98.86 1vk0 h GLY 193 Ca 0.29 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.77 1vk0 h GLY 193 CO -0.06 -0.10 0.30 -0.25 0.00 0.00 0.00 176.54 176.43 1vk0 h TRP 194 N -0.23 0.54 -0.60 5.60 7.01 -0.52 0.50 115.95 128.26 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 0.20 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.04 1vk0 h TRP 194 CO -0.10 0.27 0.29 -0.07 -2.79 0.00 0.00 178.44 176.04 1vk0 h LEU 195 N 0.57 0.38 -0.34 0.65 3.38 -0.53 -0.40 115.31 119.02 1vk0 h LEU 195 Ca 0.24 0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 1vk0 h LEU 195 Cb 0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1vk0 h LEU 195 CO -0.16 0.24 -0.78 0.40 0.09 0.00 0.00 178.44 178.24 1vk0 h ILE 196 N 0.53 1.38 -0.65 1.22 1.08 -0.84 0.38 117.51 120.62 1vk0 h ILE 196 Ca 0.28 -2.21 0.13 0.00 -0.39 0.00 0.00 64.86 62.67 1vk0 h ILE 196 Cb 0.25 2.18 -0.10 0.00 -3.07 0.00 0.00 36.82 36.08 1vk0 h ILE 196 CO -0.22 0.66 0.13 0.58 -0.69 0.00 0.00 178.15 178.61 1vk0 h VAL 197 N 0.27 0.58 -0.20 1.67 2.07 -0.57 -0.67 116.25 119.41 1vk0 h VAL 197 Ca -0.04 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1vk0 h VAL 197 Cb 1.37 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1vk0 h VAL 197 CO 0.13 0.04 -0.38 0.78 0.02 0.00 0.00 177.57 178.17 1vk0 h ASN 198 N 0.25 0.46 -0.30 0.57 2.35 -0.57 -2.20 115.58 116.14 1vk0 h ASN 198 Ca 0.35 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1vk0 h ASN 198 Cb 0.55 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1vk0 h ASN 198 CO -0.46 0.80 0.19 0.58 -1.65 0.00 0.00 177.43 176.89 1vk0 h VAL 199 N 0.37 1.05 -0.21 2.81 2.07 -0.26 -0.96 116.25 121.13 1vk0 h VAL 199 Ca 0.04 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1vk0 h VAL 199 Cb 0.83 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1vk0 h VAL 199 CO 0.07 0.07 -0.03 -0.25 0.02 0.00 0.00 177.57 177.45 1vk0 h TRP 200 N 0.38 0.44 -0.57 1.57 2.91 -1.02 -1.71 115.95 117.95 1vk0 h TRP 200 Ca 0.11 -0.09 0.09 0.00 1.13 0.00 0.00 58.89 60.14 1vk0 h TRP 200 Cb -0.02 -0.11 -0.07 0.00 -0.51 0.00 0.00 29.16 28.45 1vk0 h TRP 200 CO -0.07 0.62 0.19 -0.44 -1.03 0.00 0.00 178.44 177.71 1vk0 h ASP 201 N 0.13 0.16 0.05 2.65 3.32 -1.26 -0.55 116.42 120.93 1vk0 h ASP 201 Ca 0.06 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1vk0 h ASP 201 Cb 0.47 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1vk0 h ASP 201 CO 0.02 0.10 -0.17 -0.61 -1.72 0.00 0.00 179.24 176.86 1vk0 h GLN 202 N 0.36 -0.29 -0.24 3.56 5.75 -0.88 -2.93 115.11 120.44 1vk0 h GLN 202 Ca 0.29 0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.66 1vk0 h GLN 202 Cb 0.36 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1vk0 h GLN 202 CO -0.31 -0.19 -0.47 -0.07 -2.65 0.00 0.00 178.83 175.14 1vk0 h LEU 203 N -0.30 0.67 -1.08 -2.39 3.38 -1.05 -3.08 115.31 111.46 1vk0 h LEU 203 Ca 0.04 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1vk0 h LEU 203 Cb 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1vk0 h LEU 203 CO -0.12 1.03 0.00 0.77 0.09 0.00 0.00 178.44 180.21 1vk0 h SER 204 N 0.49 0.00 0.63 -0.43 4.64 -1.10 -2.79 113.55 114.99 1vk0 h SER 204 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1vk0 h SER 204 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1vk0 h SER 204 CO 0.09 0.00 -0.55 0.47 -0.87 0.00 0.00 176.83 175.97 1vk0 n ASP 205 N -3.01 0.55 0.00 4.97 10.43 -1.11 -5.10 116.55 123.27 1vk0 n ASP 205 Ca 0.02 -0.10 0.14 0.00 2.57 0.00 0.00 54.79 57.42 1vk0 n ASP 205 Cb 0.35 0.22 0.84 0.00 1.84 0.00 0.00 41.12 44.37 1vk0 n ASP 205 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51