#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk1 s PRO 12 N 0.00 3.66 0.17 6.28 0.04 -1.26 -4.70 135.00 139.19 1vk1 s PRO 12 Ca 0.00 1.52 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 1vk1 s PRO 12 Cb 0.00 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 1vk1 s PRO 12 CO 0.00 -0.58 0.80 0.08 0.04 0.00 0.00 177.00 177.34 1vk1 s VAL 13 N -1.82 4.35 -0.04 -0.36 1.01 -1.26 -0.56 120.40 121.72 1vk1 s VAL 13 Ca 0.68 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.42 1vk1 s VAL 13 Cb -0.21 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.03 1vk1 s VAL 13 CO 0.25 0.51 -0.02 -0.75 0.00 0.00 0.00 175.10 175.09 1vk1 s LYS 14 N -1.07 0.52 -0.21 2.72 2.20 -0.07 -4.87 119.74 118.96 1vk1 s LYS 14 Ca 0.37 0.01 -0.29 0.00 -0.36 0.00 0.00 55.97 55.69 1vk1 s LYS 14 Cb -0.23 -0.64 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 1vk1 s LYS 14 CO 0.27 -0.12 1.41 0.21 -0.36 0.00 0.00 175.35 176.76 1vk1 s LYS 15 N 1.02 4.00 0.12 4.03 2.20 -1.26 -0.92 119.74 128.92 1vk1 s LYS 15 Ca -0.10 1.58 0.08 0.00 -0.36 0.00 0.00 55.97 57.17 1vk1 s LYS 15 Cb -0.14 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 1vk1 s LYS 15 CO -0.01 -1.02 -0.14 0.14 -0.36 0.00 0.00 175.35 173.96 1vk1 s VAL 16 N 4.32 3.11 0.00 4.02 -7.23 -1.26 -4.96 120.40 118.40 1vk1 s VAL 16 Ca 0.62 -1.41 -0.30 0.00 -1.81 0.00 0.00 61.98 59.07 1vk1 s VAL 16 Cb -0.22 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1vk1 s VAL 16 CO 0.23 0.09 1.02 -0.70 -0.31 0.00 0.00 175.10 175.43 1vk1 s GLU 17 N -2.23 4.52 0.37 4.82 2.56 -1.26 -4.97 118.70 122.52 1vk1 s GLU 17 Ca 0.20 1.48 0.07 0.00 0.00 0.00 0.00 54.97 56.73 1vk1 s GLU 17 Cb -0.11 -3.45 -0.01 0.00 2.00 0.00 0.00 34.13 32.57 1vk1 s GLU 17 CO 0.12 -0.11 0.46 1.52 -0.56 0.00 0.00 175.26 176.69 1vk1 s TYR 18 N 1.11 2.92 0.01 5.30 -0.85 -1.26 -4.80 117.35 119.78 1vk1 s TYR 18 Ca 0.53 -0.33 0.01 0.00 -0.52 0.00 0.00 57.07 56.76 1vk1 s TYR 18 Cb -0.22 -2.11 -0.01 0.00 0.38 0.00 0.00 41.96 40.00 1vk1 s TYR 18 CO 0.27 -0.13 -0.04 0.54 -1.52 0.00 0.00 175.55 174.67 1vk1 s VAL 19 N -2.30 0.31 0.13 -3.49 0.11 -0.03 -4.90 120.40 110.24 1vk1 s VAL 19 Ca 0.48 -0.46 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 1vk1 s VAL 19 Cb -0.08 -0.32 -0.07 0.00 -1.53 0.00 0.00 36.38 34.38 1vk1 s VAL 19 CO 0.30 -0.10 1.11 -0.36 -3.33 0.00 0.00 175.10 172.72 1vk1 s PHE 20 N -0.56 3.57 -0.02 1.54 0.08 -1.26 -0.35 117.98 120.99 1vk1 s PHE 20 Ca -0.04 1.55 0.05 0.00 0.12 0.00 0.00 56.93 58.61 1vk1 s PHE 20 Cb -0.04 -3.28 -0.01 0.00 -0.57 0.00 0.00 43.02 39.11 1vk1 s PHE 20 CO -0.00 -0.67 -0.17 0.42 -0.10 0.00 0.00 175.22 174.69 1vk1 s ILE 21 N 0.20 1.38 0.18 0.64 -1.09 -0.61 -4.93 121.20 116.97 1vk1 s ILE 21 Ca 0.52 -0.74 -0.31 0.00 -2.23 0.00 0.00 60.65 57.89 1vk1 s ILE 21 Cb -0.28 -1.15 -0.09 0.00 -1.58 0.00 0.00 42.46 39.35 1vk1 s ILE 21 CO 0.33 0.39 1.39 -1.61 -1.23 0.00 0.00 174.94 174.21 1vk1 s GLU 22 N -0.34 4.32 0.48 2.79 2.02 -1.26 -1.24 118.70 125.46 1vk1 s GLU 22 Ca 0.05 2.15 0.14 0.00 0.02 0.00 0.00 54.97 57.33 1vk1 s GLU 22 Cb -0.07 -3.18 1.13 0.00 0.10 0.00 0.00 34.13 32.10 1vk1 s GLU 22 CO -0.00 -0.38 2.09 -0.07 0.02 0.00 0.00 175.26 176.91 1vk1 h LEU 23 N 5.86 0.19 0.00 1.80 3.38 -1.48 -1.70 115.31 123.35 1vk1 h LEU 23 Ca -0.44 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1vk1 h LEU 23 Cb 1.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1vk1 h LEU 23 CO 0.82 0.13 0.00 -0.90 0.09 0.00 0.00 178.44 178.57 1vk1 n ASP 24 N -4.50 0.00 -0.39 -0.43 5.68 -1.26 -1.99 116.55 113.66 1vk1 n ASP 24 Ca 0.02 -0.22 0.11 0.00 -0.50 0.00 0.00 54.79 54.20 1vk1 n ASP 24 Cb 0.16 -0.19 0.08 0.00 -1.14 0.00 0.00 41.12 40.03 1vk1 n ASP 24 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1vk1 n LYS 25 N -1.19 1.00 -1.77 0.11 4.76 -0.64 -5.07 118.16 115.37 1vk1 n LYS 25 Ca 0.12 -0.78 -0.11 0.00 -2.87 0.00 0.00 58.31 54.66 1vk1 n LYS 25 Cb 0.13 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 31.89 1vk1 n LYS 25 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1vk1 n MET 26 N -0.31 0.47 -4.15 1.97 2.81 -0.84 -0.94 117.12 116.12 1vk1 n MET 26 Ca 0.09 -1.46 -0.12 0.00 -1.81 0.00 0.00 57.70 54.40 1vk1 n MET 26 Cb 0.43 -0.25 -0.11 0.00 -0.71 0.00 0.00 33.22 32.58 1vk1 n MET 26 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1vk1 s PRO 28 N -3.59 0.78 0.00 0.03 0.04 -1.26 -4.94 135.00 126.05 1vk1 s PRO 28 Ca 0.33 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 60.21 1vk1 s PRO 28 Cb -0.02 -0.34 0.00 0.00 0.04 0.00 0.00 34.50 34.18 1vk1 s PRO 28 CO 0.21 0.03 0.50 -2.39 0.04 0.00 0.00 177.00 175.39 1vk1 n HIS 29 N 0.46 0.00 -3.82 0.56 1.44 -1.26 -4.80 115.22 107.80 1vk1 n HIS 29 Ca -0.16 -0.01 -0.10 0.00 -2.01 0.00 0.00 57.72 55.45 1vk1 n HIS 29 Cb 0.59 -0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.62 1vk1 n HIS 29 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1vk1 s GLU 30 N -0.02 0.83 0.94 -1.40 -1.05 -1.26 -0.60 118.70 116.14 1vk1 s GLU 30 Ca 0.00 -0.80 -0.14 0.00 -0.15 0.00 0.00 54.97 53.88 1vk1 s GLU 30 Cb 0.00 0.35 0.16 0.00 -0.44 0.00 0.00 34.13 34.19 1vk1 s GLU 30 CO 0.00 -0.27 1.18 -0.65 0.95 0.00 0.00 175.26 176.47 1vk1 s GLN 31 N -3.40 0.91 0.19 -4.83 -0.21 -0.24 -4.85 119.66 107.23 1vk1 s GLN 31 Ca 0.01 0.09 0.05 0.00 0.02 0.00 0.00 55.36 55.53 1vk1 s GLN 31 Cb 0.02 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 1vk1 s GLN 31 CO -0.09 -2.31 0.22 -0.51 -2.12 0.00 0.00 175.29 170.48 1vk1 s LEU 32 N -6.03 4.02 -0.26 2.90 1.43 -1.26 -3.98 118.68 115.49 1vk1 s LEU 32 Ca 0.66 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.61 1vk1 s LEU 32 Cb -0.12 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1vk1 s LEU 32 CO 0.53 0.02 0.16 -0.69 0.23 0.00 0.00 176.35 176.60 1vk1 s VAL 33 N -1.87 5.22 0.23 -1.59 1.01 -1.26 -4.79 120.40 117.36 1vk1 s VAL 33 Ca 0.33 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 1vk1 s VAL 33 Cb -0.10 -3.46 0.19 0.00 0.00 0.00 0.00 36.38 33.02 1vk1 s VAL 33 CO 0.26 0.31 1.80 -0.61 0.00 0.00 0.00 175.10 176.85 1vk1 h GLN 34 N 7.94 0.68 -0.84 2.72 4.15 -1.99 -1.49 115.11 126.28 1vk1 h GLN 34 Ca -0.37 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 58.98 1vk1 h GLN 34 Cb 1.18 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.68 1vk1 h GLN 34 CO 0.60 0.45 0.40 -0.09 -1.93 0.00 0.00 178.83 178.26 1vk1 h ARG 35 N 0.70 1.22 -0.35 1.69 2.43 -1.95 -0.94 114.38 117.18 1vk1 h ARG 35 Ca 0.37 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1vk1 h ARG 35 Cb 0.35 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1vk1 h ARG 35 CO -0.25 0.94 -0.23 0.93 -1.51 0.00 0.00 179.97 179.84 1vk1 h GLU 36 N 1.20 0.70 -0.04 0.20 4.39 -1.76 -0.01 114.58 119.26 1vk1 h GLU 36 Ca 0.29 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1vk1 h GLU 36 Cb 0.13 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1vk1 h GLU 36 CO -0.04 0.87 0.01 1.25 -1.16 0.00 0.00 179.01 179.95 1vk1 h LEU 37 N 0.61 0.06 -0.62 1.33 5.85 -0.90 -1.77 115.31 119.88 1vk1 h LEU 37 Ca 0.09 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1vk1 h LEU 37 Cb 0.72 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1vk1 h LEU 37 CO 0.06 0.26 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.95 1vk1 h GLU 38 N -0.14 0.94 -0.58 1.25 5.08 -1.10 -1.83 114.58 118.21 1vk1 h GLU 38 Ca 0.01 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1vk1 h GLU 38 Cb 0.22 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1vk1 h GLU 38 CO -0.00 1.02 0.24 -0.44 -1.00 0.00 0.00 179.01 178.83 1vk1 h ASP 39 N 0.83 0.79 -0.25 1.42 3.32 -0.99 -0.81 116.42 120.73 1vk1 h ASP 39 Ca 0.13 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1vk1 h ASP 39 Cb 0.69 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1vk1 h ASP 39 CO 0.05 0.73 0.13 0.15 -1.72 0.00 0.00 179.24 178.59 1vk1 h PHE 40 N 0.79 0.25 -0.51 4.55 3.57 -1.10 -0.37 116.94 124.12 1vk1 h PHE 40 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1vk1 h PHE 40 Cb 0.18 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1vk1 h PHE 40 CO 0.01 0.15 0.32 0.82 -2.23 0.00 0.00 178.31 177.38 1vk1 h ILE 41 N 0.28 1.14 -0.56 1.41 2.04 -1.06 -0.42 117.51 120.34 1vk1 h ILE 41 Ca 0.10 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1vk1 h ILE 41 Cb 0.01 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1vk1 h ILE 41 CO -0.05 0.14 0.36 -0.33 0.00 0.00 0.00 178.15 178.27 1vk1 h GLU 42 N 0.69 0.71 -0.18 2.37 5.08 -0.96 -2.19 114.58 120.10 1vk1 h GLU 42 Ca 0.18 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1vk1 h GLU 42 Cb -0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1vk1 h GLU 42 CO -0.04 0.47 -0.03 0.77 -1.00 0.00 0.00 179.01 179.18 1vk1 h SER 43 N 0.73 0.34 -0.24 1.42 0.02 -0.59 -0.60 113.55 114.63 1vk1 h SER 43 Ca 0.21 -0.35 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 1vk1 h SER 43 Cb -0.06 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1vk1 h SER 43 CO -0.06 0.61 -0.31 1.62 -1.14 0.00 0.00 176.83 177.55 1vk1 h VAL 44 N 0.06 1.28 -0.05 2.27 3.04 -1.07 -0.17 116.25 121.61 1vk1 h VAL 44 Ca 0.05 -1.46 -0.21 0.00 -1.01 0.00 0.00 66.70 64.08 1vk1 h VAL 44 Cb 0.46 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1vk1 h VAL 44 CO 0.02 0.48 -0.83 0.71 -1.01 0.00 0.00 177.57 176.94 1vk1 h THR 45 N 0.64 1.38 -0.27 3.17 1.35 -1.43 0.59 112.91 118.34 1vk1 h THR 45 Ca 0.07 -2.26 -0.16 0.00 -0.55 0.00 0.00 66.41 63.51 1vk1 h THR 45 Cb 0.84 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1vk1 h THR 45 CO 0.07 0.68 -0.48 1.23 -0.25 0.00 0.00 175.52 176.78 1vk1 h GLY 46 N 1.20 0.87 1.39 5.82 0.00 -0.94 -3.27 103.07 108.15 1vk1 h GLY 46 Ca -0.05 -1.01 -0.13 0.00 0.00 0.00 0.00 47.33 46.14 1vk1 h GLY 46 CO 0.14 0.90 -1.03 1.48 0.00 0.00 0.00 176.54 178.04 1vk1 h SER 47 N 0.55 0.00 -0.02 0.19 4.64 -1.10 -3.48 113.55 114.32 1vk1 h SER 47 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1vk1 h SER 47 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1vk1 h SER 47 CO 0.11 0.51 -0.01 0.61 -0.87 0.00 0.00 176.83 177.18 1vk1 n GLY 48 N 1.31 0.32 3.02 -0.77 0.00 0.20 -5.01 105.19 104.27 1vk1 n GLY 48 Ca -0.04 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1vk1 n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vk1 s ILE 49 N -1.60 1.02 -0.32 -0.61 -1.09 -1.23 -1.12 121.20 116.24 1vk1 s ILE 49 Ca 0.00 -0.44 -0.12 0.00 -2.23 0.00 0.00 60.65 57.86 1vk1 s ILE 49 Cb 0.00 -0.92 -0.02 0.00 -1.58 0.00 0.00 42.46 39.94 1vk1 s ILE 49 CO 0.00 0.32 0.21 0.12 -1.23 0.00 0.00 174.94 174.36 1vk1 s PHE 50 N 0.48 3.21 -0.08 3.97 5.36 0.50 -4.70 117.98 126.71 1vk1 s PHE 50 Ca -0.10 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 1vk1 s PHE 50 Cb -0.13 -2.43 -0.00 0.00 -0.34 0.00 0.00 43.02 40.12 1vk1 s PHE 50 CO 0.02 -0.34 0.22 -2.67 -1.46 0.00 0.00 175.22 170.98 1vk1 n TRP 51 N 5.07 0.00 -4.05 10.12 4.27 -1.26 -2.32 117.44 129.26 1vk1 n TRP 51 Ca -0.13 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.16 1vk1 n TRP 51 Cb 0.50 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.30 1vk1 n TRP 51 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1vk1 s LYS 52 N -0.74 2.04 0.59 -2.67 2.20 -1.26 -0.87 119.74 119.04 1vk1 s LYS 52 Ca 0.01 -1.44 -0.19 0.00 -0.36 0.00 0.00 55.97 53.98 1vk1 s LYS 52 Cb 0.01 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 1vk1 s LYS 52 CO 0.03 -0.65 1.22 -1.25 -0.36 0.00 0.00 175.35 174.33 1vk1 s PRO 53 N 1.07 2.96 0.58 4.03 0.04 -1.26 -4.97 135.00 137.45 1vk1 s PRO 53 Ca -0.04 1.85 -0.21 0.00 0.04 0.00 0.00 61.00 62.64 1vk1 s PRO 53 Cb -0.20 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1vk1 s PRO 53 CO -0.06 -1.22 1.34 -1.33 0.04 0.00 0.00 177.00 175.77 1vk1 n MET 54 N -1.59 1.54 -4.12 4.56 2.81 -0.37 -4.83 117.12 115.12 1vk1 n MET 54 Ca 0.14 0.57 -0.35 0.00 -1.81 0.00 0.00 57.70 56.25 1vk1 n MET 54 Cb 0.49 -2.57 -0.13 0.00 -0.71 0.00 0.00 33.22 30.31 1vk1 n MET 54 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1vk1 s LEU 55 N -3.69 3.20 0.17 4.03 1.43 -0.53 -0.45 118.68 122.83 1vk1 s LEU 55 Ca 0.75 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.69 1vk1 s LEU 55 Cb -0.41 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1vk1 s LEU 55 CO 0.47 0.07 -0.12 -0.76 0.23 0.00 0.00 176.35 176.24 1vk1 s LEU 56 N 0.95 2.53 -0.03 1.79 1.43 -0.33 -0.49 118.68 124.53 1vk1 s LEU 56 Ca 0.01 -1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 52.09 1vk1 s LEU 56 Cb -0.14 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.60 1vk1 s LEU 56 CO 0.02 -0.25 0.07 0.00 0.23 0.00 0.00 176.35 176.41 1vk1 s ALA 57 N -3.11 -0.12 0.29 4.21 0.00 -0.63 -0.34 121.76 122.06 1vk1 s ALA 57 Ca 0.19 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 1vk1 s ALA 57 Cb 0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 1vk1 s ALA 57 CO 0.03 -0.07 1.33 0.21 0.00 0.00 0.00 175.76 177.26 1vk1 s LYS 58 N 0.47 4.35 -0.23 0.00 2.20 -1.26 -0.09 119.74 125.17 1vk1 s LYS 58 Ca -0.04 2.21 -0.25 0.00 -0.36 0.00 0.00 55.97 57.53 1vk1 s LYS 58 Cb -0.05 -3.10 -0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1vk1 s LYS 58 CO -0.02 -0.24 0.86 0.42 -0.36 0.00 0.00 175.35 176.02 1vk1 s ILE 59 N -0.72 4.82 0.34 5.43 1.01 -0.33 -4.78 121.20 126.97 1vk1 s ILE 59 Ca 0.52 1.65 -0.27 0.00 0.00 0.00 0.00 60.65 62.55 1vk1 s ILE 59 Cb -0.40 -4.15 -0.12 0.00 0.01 0.00 0.00 42.46 37.80 1vk1 s ILE 59 CO 0.49 -0.07 1.18 -2.65 0.00 0.00 0.00 174.94 173.88 1vk1 n PRO 60 N 5.91 1.81 -0.97 2.79 -0.02 -1.26 -2.06 135.00 141.20 1vk1 n PRO 60 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1vk1 n PRO 60 Cb 0.47 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1vk1 n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vk1 n GLY 61 N 0.94 0.69 3.36 -1.23 0.00 -1.26 -5.00 105.19 102.70 1vk1 n GLY 61 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1vk1 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vk1 s THR 62 N -2.88 0.66 -0.42 2.61 -4.23 -0.87 -5.03 115.64 105.48 1vk1 s THR 62 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1vk1 s THR 62 Cb 0.00 -2.63 0.56 0.00 1.34 0.00 0.00 72.50 71.77 1vk1 s THR 62 CO 0.00 0.00 1.73 0.47 -0.54 0.00 0.00 174.62 176.28 1vk1 n ASP 63 N -0.64 3.97 -4.76 3.99 8.00 -1.26 -4.71 116.55 121.14 1vk1 n ASP 63 Ca -0.01 -3.72 -0.23 0.00 0.71 0.00 0.00 54.79 51.55 1vk1 n ASP 63 Cb 0.66 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 1vk1 n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1vk1 s GLU 64 N -3.39 2.49 -0.04 -1.24 2.02 -1.26 -4.97 118.70 112.31 1vk1 s GLU 64 Ca 0.53 -1.43 0.05 0.00 0.02 0.00 0.00 54.97 54.15 1vk1 s GLU 64 Cb 0.45 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 32.40 1vk1 s GLU 64 CO 0.04 0.17 -0.19 0.71 0.02 0.00 0.00 175.26 176.01 1vk1 s TYR 65 N -2.36 1.87 0.08 1.61 2.02 -0.11 -1.19 117.35 119.27 1vk1 s TYR 65 Ca 0.37 -0.50 -0.31 0.00 -0.37 0.00 0.00 57.07 56.27 1vk1 s TYR 65 Cb -0.04 -1.24 -0.07 0.00 -0.40 0.00 0.00 41.96 40.21 1vk1 s TYR 65 CO 0.23 -0.14 1.41 -1.17 -1.57 0.00 0.00 175.55 174.31 1vk1 s LEU 66 N -0.13 4.36 -0.26 -1.29 2.96 0.87 -4.35 118.68 120.84 1vk1 s LEU 66 Ca -0.01 2.28 -0.29 0.00 -0.22 0.00 0.00 54.13 55.89 1vk1 s LEU 66 Cb -0.11 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 1vk1 s LEU 66 CO 0.02 -0.69 1.39 -0.63 -1.32 0.00 0.00 176.35 175.12 1vk1 s ILE 67 N 1.55 4.02 -0.17 6.68 1.01 -1.26 -1.60 121.20 131.43 1vk1 s ILE 67 Ca 0.65 1.16 -0.22 0.00 0.00 0.00 0.00 60.65 62.25 1vk1 s ILE 67 Cb -0.36 -4.01 -0.19 0.00 0.01 0.00 0.00 42.46 37.92 1vk1 s ILE 67 CO 0.29 -0.39 0.38 0.58 0.00 0.00 0.00 174.94 175.80 1vk1 h VAL 68 N 5.96 1.10 -3.57 2.92 2.07 -1.12 -3.41 116.25 120.20 1vk1 h VAL 68 Ca -0.28 -2.05 -0.27 0.00 0.82 0.00 0.00 66.70 64.92 1vk1 h VAL 68 Cb 1.11 2.30 -0.31 0.00 -1.52 0.00 0.00 31.29 32.87 1vk1 h VAL 68 CO 1.02 0.37 -0.71 -0.62 0.02 0.00 0.00 177.57 177.65 1vk1 s ASP 69 N -6.41 0.02 0.00 0.57 2.15 -0.85 -4.83 116.67 107.32 1vk1 s ASP 69 Ca -0.22 0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.82 1vk1 s ASP 69 Cb 0.02 -0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.62 1vk1 s ASP 69 CO 0.55 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 176.08 1vk1 n GLY 70 N 3.74 1.92 0.25 2.66 0.00 -1.26 -1.46 105.19 111.04 1vk1 n GLY 70 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1vk1 n GLY 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1vk1 h HIS 71 N 0.00 0.65 -0.17 1.61 3.86 -1.93 0.13 115.15 119.30 1vk1 h HIS 71 Ca 0.00 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 1vk1 h HIS 71 Cb 0.00 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1vk1 h HIS 71 CO 0.00 0.32 -0.54 0.45 0.86 0.00 0.00 177.93 179.03 1vk1 h HIS 72 N 0.67 0.62 -0.23 2.45 3.86 -1.96 -0.57 115.15 119.99 1vk1 h HIS 72 Ca 0.28 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1vk1 h HIS 72 Cb 0.15 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1vk1 h HIS 72 CO -0.08 0.93 0.07 0.00 0.86 0.00 0.00 177.93 179.71 1vk1 h ARG 73 N 0.39 0.36 -0.08 2.45 3.08 -1.84 0.46 114.38 119.19 1vk1 h ARG 73 Ca 0.01 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1vk1 h ARG 73 Cb 1.07 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1vk1 h ARG 73 CO 0.10 0.45 0.05 2.35 -1.07 0.00 0.00 179.97 181.85 1vk1 h TRP 74 N 0.20 0.11 -0.40 3.04 7.01 -0.89 -0.78 115.95 124.25 1vk1 h TRP 74 Ca 0.07 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 60.96 1vk1 h TRP 74 Cb 0.24 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1vk1 h TRP 74 CO 0.00 0.09 -0.23 0.00 -2.79 0.00 0.00 178.44 175.52 1vk1 h ALA 75 N 1.00 0.85 -0.47 2.65 0.00 -1.08 -0.55 119.26 121.65 1vk1 h ALA 75 Ca 0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1vk1 h ALA 75 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1vk1 h ALA 75 CO -0.01 0.64 0.06 0.78 0.00 0.00 0.00 179.25 180.72 1vk1 h GLY 76 N 0.95 0.86 1.01 0.00 0.00 -0.78 -0.55 103.07 104.56 1vk1 h GLY 76 Ca 0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1vk1 h GLY 76 CO 0.06 0.54 0.25 1.41 0.00 0.00 0.00 176.54 178.80 1vk1 h LEU 77 N 0.66 0.89 -0.61 3.11 3.38 -0.92 -0.95 115.31 120.86 1vk1 h LEU 77 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1vk1 h LEU 77 Cb 0.42 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1vk1 h LEU 77 CO 0.01 0.82 0.35 1.56 0.09 0.00 0.00 178.44 181.27 1vk1 h GLN 78 N 0.90 0.85 -0.52 1.13 4.20 -0.93 -0.83 115.11 119.90 1vk1 h GLN 78 Ca 0.21 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1vk1 h GLN 78 Cb 0.22 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1vk1 h GLN 78 CO -0.02 0.63 0.25 -0.22 -0.67 0.00 0.00 178.83 178.80 1vk1 h LYS 79 N 0.83 0.73 0.00 1.46 3.64 -0.73 -1.51 116.57 121.00 1vk1 h LYS 79 Ca 0.22 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1vk1 h LYS 79 Cb 0.02 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1vk1 h LYS 79 CO -0.04 0.57 0.00 1.28 -2.27 0.00 0.00 179.45 179.00 1vk1 n LEU 80 N -4.37 0.01 0.00 5.20 4.77 -0.39 -4.91 117.00 117.30 1vk1 n LEU 80 Ca 0.04 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1vk1 n LEU 80 Cb 0.13 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1vk1 n LEU 80 CO 0.37 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1vk1 n GLY 81 N 0.95 0.65 3.78 -0.72 0.00 -0.57 -5.08 105.19 104.21 1vk1 n GLY 81 Ca 0.06 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1vk1 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vk1 s ALA 82 N -2.00 1.73 -0.05 4.61 0.00 -0.37 -4.93 121.76 120.76 1vk1 s ALA 82 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1vk1 s ALA 82 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 1vk1 s ALA 82 CO 0.00 -2.33 0.01 1.63 0.00 0.00 0.00 175.76 175.07 1vk1 n LYS 83 N -3.80 2.97 -4.04 0.00 4.01 0.60 -4.67 118.16 113.23 1vk1 n LYS 83 Ca 0.07 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.78 1vk1 n LYS 83 Cb 0.59 -1.12 -0.09 0.00 -0.51 0.00 0.00 35.03 33.90 1vk1 n LYS 83 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1vk1 s ARG 84 N -2.12 0.97 -0.04 1.97 1.70 -0.90 -1.20 118.95 119.33 1vk1 s ARG 84 Ca -0.03 -1.26 -0.07 0.00 -0.47 0.00 0.00 55.73 53.89 1vk1 s ARG 84 Cb 0.01 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1vk1 s ARG 84 CO 0.19 -0.31 0.18 0.00 -1.08 0.00 0.00 175.30 174.29 1vk1 s ALA 85 N -3.98 -0.44 0.24 7.88 0.00 -0.38 -4.72 121.76 120.36 1vk1 s ALA 85 Ca 0.18 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1vk1 s ALA 85 Cb 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 1vk1 s ALA 85 CO -0.01 -0.15 1.47 -1.25 0.00 0.00 0.00 175.76 175.82 1vk1 s PRO 86 N -0.53 4.25 0.01 0.00 0.04 -1.26 -1.58 135.00 135.93 1vk1 s PRO 86 Ca -0.06 2.34 -0.02 0.00 0.04 0.00 0.00 61.00 63.29 1vk1 s PRO 86 Cb -0.04 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 1vk1 s PRO 86 CO 0.01 -0.46 0.02 -1.12 0.04 0.00 0.00 177.00 175.48 1vk1 s SER 87 N 0.47 0.17 -0.18 6.66 0.01 0.53 -1.24 113.70 120.13 1vk1 s SER 87 Ca 0.61 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 1vk1 s SER 87 Cb -0.43 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1vk1 s SER 87 CO 0.42 -0.31 -0.03 -0.69 0.41 0.00 0.00 173.24 173.04 1vk1 s VAL 88 N -1.40 3.78 -0.26 3.43 1.01 0.40 -0.85 120.40 126.50 1vk1 s VAL 88 Ca -0.15 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1vk1 s VAL 88 Cb -0.09 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1vk1 s VAL 88 CO -0.00 0.47 0.27 -0.63 0.00 0.00 0.00 175.10 175.20 1vk1 s ILE 89 N 0.70 5.26 0.17 2.22 -1.09 -1.26 -1.19 121.20 126.01 1vk1 s ILE 89 Ca -0.02 0.35 0.06 0.00 -2.23 0.00 0.00 60.65 58.81 1vk1 s ILE 89 Cb -0.14 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1vk1 s ILE 89 CO 0.02 0.23 0.09 -0.76 -1.23 0.00 0.00 174.94 173.30 1vk1 s LEU 90 N 1.72 3.65 -0.49 2.97 1.43 0.53 -4.97 118.68 123.52 1vk1 s LEU 90 Ca 0.11 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 1vk1 s LEU 90 Cb -0.15 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1vk1 s LEU 90 CO 0.09 0.08 0.82 -0.62 0.23 0.00 0.00 176.35 176.95 1vk1 s ASP 91 N -3.05 6.37 0.41 2.29 2.15 -1.26 -4.31 116.67 119.26 1vk1 s ASP 91 Ca 0.30 -0.28 0.08 0.00 0.43 0.00 0.00 52.55 53.07 1vk1 s ASP 91 Cb -0.10 -2.39 0.85 0.00 -0.30 0.00 0.00 42.92 40.98 1vk1 s ASP 91 CO 0.22 -1.02 2.03 0.22 -0.17 0.00 0.00 175.17 176.45 1vk1 h TYR 92 N 9.10 0.46 -0.58 -5.34 3.20 -1.92 -2.28 116.97 119.60 1vk1 h TYR 92 Ca -0.25 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1vk1 h TYR 92 Cb 1.08 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1vk1 h TYR 92 CO 0.83 0.33 0.00 1.19 -1.64 0.00 0.00 178.16 178.87 1vk1 n PHE 93 N -4.44 1.10 -1.98 -3.82 3.72 -1.26 -4.73 117.46 106.05 1vk1 n PHE 93 Ca 0.02 -0.47 -0.41 0.00 -0.05 0.00 0.00 57.45 56.54 1vk1 n PHE 93 Cb 0.10 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 1vk1 n PHE 93 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1vk1 s ASP 94 N -0.90 6.60 0.60 4.37 2.15 -0.86 -4.90 116.67 123.73 1vk1 s ASP 94 Ca 0.43 2.77 0.35 0.00 0.43 0.00 0.00 52.55 56.53 1vk1 s ASP 94 Cb 0.25 -2.64 1.94 0.00 -0.30 0.00 0.00 42.92 42.17 1vk1 s ASP 94 CO 0.24 -0.71 2.24 1.05 -0.17 0.00 0.00 175.17 177.82 1vk1 h GLU 95 N 4.24 0.00 0.00 4.34 4.11 -1.90 -1.94 114.58 123.43 1vk1 h GLU 95 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.94 1vk1 h GLU 95 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1vk1 h GLU 95 CO 0.72 0.03 -0.08 0.78 0.07 0.00 0.00 179.01 180.53 1vk1 h GLY 96 N 0.36 0.00 -6.40 1.06 0.00 -1.94 -3.41 103.07 92.75 1vk1 h GLY 96 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1vk1 h GLY 96 CO 0.00 0.00 0.39 0.14 0.00 0.00 0.00 176.54 177.07 1vk1 s VAL 97 N -3.78 4.77 0.10 4.60 1.01 -0.73 -3.57 120.40 122.80 1vk1 s VAL 97 Ca -0.00 1.09 0.09 0.00 0.00 0.00 0.00 61.98 63.16 1vk1 s VAL 97 Cb 0.10 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1vk1 s VAL 97 CO 0.56 -0.31 -0.20 -1.59 0.00 0.00 0.00 175.10 173.57 1vk1 s LYS 98 N 3.00 1.79 -0.05 2.72 0.00 -0.04 -4.90 119.74 122.26 1vk1 s LYS 98 Ca 0.32 -1.16 0.05 0.00 0.00 0.00 0.00 55.97 55.18 1vk1 s LYS 98 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 37.83 35.60 1vk1 s LYS 98 CO 0.14 0.49 -0.20 0.54 0.00 0.00 0.00 175.35 176.32 1vk1 s VAL 99 N -1.05 1.66 0.00 1.79 0.11 -1.26 -0.58 120.40 121.06 1vk1 s VAL 99 Ca 0.16 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1vk1 s VAL 99 Cb -0.10 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 1vk1 s VAL 99 CO 0.08 0.47 0.00 -1.22 -3.33 0.00 0.00 175.10 171.10 1vk1 n TYR 100 N 3.09 0.00 -4.52 1.54 4.01 0.43 -4.95 117.16 116.76 1vk1 n TYR 100 Ca -0.18 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.30 1vk1 n TYR 100 Cb 0.53 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.47 1vk1 n TYR 100 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1vk1 s THR 101 N -0.41 0.66 0.20 -0.72 -1.32 -1.26 -0.96 115.64 111.83 1vk1 s THR 101 Ca 0.00 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.54 1vk1 s THR 101 Cb 0.00 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.59 1vk1 s THR 101 CO 0.00 0.00 0.13 0.26 -2.21 0.00 0.00 174.62 172.80 1vk1 s TRP 102 N -3.20 3.08 -0.36 9.09 0.52 -1.26 -4.61 118.94 122.19 1vk1 s TRP 102 Ca 0.24 -0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.29 1vk1 s TRP 102 Cb 0.03 -1.45 0.10 0.00 -1.15 0.00 0.00 33.47 31.00 1vk1 s TRP 102 CO 0.14 0.52 0.11 0.71 0.02 0.00 0.00 176.95 178.45 1vk1 s TYR 103 N -1.90 3.61 0.18 -1.98 2.02 0.11 -4.83 117.35 114.56 1vk1 s TYR 103 Ca 0.31 -2.59 -0.31 0.00 -0.37 0.00 0.00 57.07 54.11 1vk1 s TYR 103 Cb -0.09 -2.94 -0.10 0.00 -0.40 0.00 0.00 41.96 38.43 1vk1 s TYR 103 CO 0.23 -0.94 1.52 -2.14 -1.57 0.00 0.00 175.55 172.65 1vk1 s PRO 104 N 1.05 4.23 0.07 -1.71 0.02 -1.25 -0.84 135.00 136.58 1vk1 s PRO 104 Ca 0.07 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.43 1vk1 s PRO 104 Cb -0.21 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 1vk1 s PRO 104 CO -0.05 -0.55 -0.06 0.00 -0.33 0.00 0.00 177.00 176.00 1vk1 s ALA 105 N 0.86 0.74 0.00 -1.55 0.00 0.11 -0.37 121.76 121.56 1vk1 s ALA 105 Ca 0.67 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1vk1 s ALA 105 Cb -0.43 0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1vk1 s ALA 105 CO 0.34 -0.18 0.00 1.97 0.00 0.00 0.00 175.76 177.89 1vk1 n PHE 106 N 0.53 0.00 -1.77 0.00 1.16 -0.67 -1.02 117.46 115.69 1vk1 n PHE 106 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.42 1vk1 n PHE 106 Cb 0.59 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.46 1vk1 n PHE 106 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1vk1 n GLY 108 N 0.27 -1.86 3.48 4.97 0.00 -1.26 -1.10 105.19 109.69 1vk1 n GLY 108 Ca 0.00 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1vk1 n GLY 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vk1 s ASP 109 N -4.00 6.20 0.49 1.61 -1.08 -1.26 -4.84 116.67 113.80 1vk1 s ASP 109 Ca 0.00 -0.72 0.14 0.00 -0.52 0.00 0.00 52.55 51.45 1vk1 s ASP 109 Cb 0.00 -2.24 1.16 0.00 -1.46 0.00 0.00 42.92 40.39 1vk1 s ASP 109 CO 0.00 -0.63 2.13 1.62 0.52 0.00 0.00 175.17 178.80 1vk1 h VAL 110 N 5.76 1.03 0.00 1.11 3.04 -1.99 -2.29 116.25 122.91 1vk1 h VAL 110 Ca -0.27 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1vk1 h VAL 110 Cb 1.11 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1vk1 h VAL 110 CO 0.83 0.03 0.00 0.59 -1.01 0.00 0.00 177.57 178.00 1vk1 n ASN 111 N -4.52 0.62 0.00 3.17 3.02 -1.26 -0.55 115.26 115.74 1vk1 n ASN 111 Ca -0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1vk1 n ASN 111 Cb 0.08 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1vk1 n ASN 111 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1vk1 n VAL 113 N 0.70 0.00 -0.23 2.41 0.31 -0.86 -1.56 118.33 119.10 1vk1 n VAL 113 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1vk1 n VAL 113 Cb 0.11 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.08 1vk1 n VAL 113 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1vk1 h ILE 114 N 0.00 1.19 -0.68 2.52 2.04 -1.10 -0.08 117.51 121.38 1vk1 h ILE 114 Ca 0.00 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.49 1vk1 h ILE 114 Cb 0.00 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 1vk1 h ILE 114 CO 0.00 0.19 0.41 -0.33 0.00 0.00 0.00 178.15 178.42 1vk1 h GLU 115 N 0.87 0.75 -0.42 2.37 5.08 -1.53 -0.36 114.58 121.34 1vk1 h GLU 115 Ca 0.23 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1vk1 h GLU 115 Cb -0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1vk1 h GLU 115 CO -0.04 0.50 -0.16 0.00 -1.00 0.00 0.00 179.01 178.30 1vk1 h ARG 116 N 0.78 0.79 -0.39 2.33 2.47 -1.69 -1.15 114.38 117.52 1vk1 h ARG 116 Ca 0.29 -0.29 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1vk1 h ARG 116 Cb 0.10 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1vk1 h ARG 116 CO -0.14 0.90 0.19 -0.07 0.56 0.00 0.00 179.97 181.41 1vk1 h LEU 117 N 0.70 0.51 -1.13 3.04 3.38 -0.58 -2.84 115.31 118.40 1vk1 h LEU 117 Ca 0.11 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1vk1 h LEU 117 Cb 0.66 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1vk1 h LEU 117 CO 0.05 0.50 -0.06 0.11 0.09 0.00 0.00 178.44 179.12 1vk1 h LYS 118 N 0.49 0.54 0.00 1.13 1.57 -0.83 -1.59 116.57 117.88 1vk1 h LYS 118 Ca 0.13 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1vk1 h LYS 118 Cb 0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1vk1 h LYS 118 CO -0.02 0.61 -0.04 0.00 -0.57 0.00 0.00 179.45 179.43 1vk1 h ALA 119 N 1.43 1.17 -0.28 3.86 0.00 -0.98 -0.99 119.26 123.47 1vk1 h ALA 119 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vk1 h ALA 119 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1vk1 h ALA 119 CO 0.02 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.71 1vk1 n GLU 120 N -3.38 1.88 -0.46 0.00 -0.58 -0.62 -4.92 120.64 112.56 1vk1 n GLU 120 Ca -0.02 -1.34 0.00 0.00 -0.42 0.00 0.00 57.16 55.38 1vk1 n GLU 120 Cb 0.17 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1vk1 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vk1 n GLY 121 N 1.17 0.76 3.88 0.62 0.00 -0.38 -5.07 105.19 106.18 1vk1 n GLY 121 Ca 0.15 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1vk1 n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vk1 s LEU 122 N 0.00 3.98 0.00 0.99 1.43 -1.08 -5.02 118.68 118.98 1vk1 s LEU 122 Ca 0.00 1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 54.07 1vk1 s LEU 122 Cb 0.00 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 1vk1 s LEU 122 CO 0.00 -0.27 0.26 -1.61 0.23 0.00 0.00 176.35 174.96 1vk1 s GLU 123 N -3.46 3.57 -0.21 1.70 2.02 -1.26 -4.17 118.70 116.89 1vk1 s GLU 123 Ca 0.50 -0.08 -0.02 0.00 0.02 0.00 0.00 54.97 55.39 1vk1 s GLU 123 Cb -0.10 -3.08 0.06 0.00 0.10 0.00 0.00 34.13 31.10 1vk1 s GLU 123 CO 0.27 0.65 0.02 0.08 0.02 0.00 0.00 175.26 176.30 1vk1 s VAL 124 N -1.29 0.78 -0.14 2.63 1.01 -1.26 -4.07 120.40 118.06 1vk1 s VAL 124 Ca 0.27 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1vk1 s VAL 124 Cb -0.13 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1vk1 s VAL 124 CO 0.16 -0.23 -0.22 -0.63 0.00 0.00 0.00 175.10 174.19 1vk1 s ILE 125 N 1.73 2.07 0.16 2.22 1.01 -0.21 -4.94 121.20 123.24 1vk1 s ILE 125 Ca -0.01 -0.97 -0.32 0.00 0.00 0.00 0.00 60.65 59.35 1vk1 s ILE 125 Cb -0.18 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.36 1vk1 s ILE 125 CO -0.09 0.55 1.64 -0.70 0.00 0.00 0.00 174.94 176.34 1vk1 s GLU 126 N 0.86 4.18 -0.30 2.79 2.12 -1.26 -0.24 118.70 126.85 1vk1 s GLU 126 Ca -0.06 2.44 -0.04 0.00 0.36 0.00 0.00 54.97 57.67 1vk1 s GLU 126 Cb -0.15 -3.22 0.18 0.00 0.26 0.00 0.00 34.13 31.20 1vk1 s GLU 126 CO -0.03 -0.68 0.67 0.34 -0.54 0.00 0.00 175.26 175.02 1vk1 s ASP 127 N 1.42 -1.22 0.47 -1.70 -1.08 -0.22 -4.85 116.67 109.49 1vk1 s ASP 127 Ca 0.73 0.92 0.32 0.00 -0.52 0.00 0.00 52.55 54.00 1vk1 s ASP 127 Cb -0.45 2.08 1.53 0.00 -1.46 0.00 0.00 42.92 44.62 1vk1 s ASP 127 CO 0.32 -0.23 1.97 1.05 0.52 0.00 0.00 175.17 178.80 1vk1 h GLU 128 N 7.98 0.00 -0.61 4.34 4.11 -1.92 -1.91 114.58 126.57 1vk1 h GLU 128 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1vk1 h GLU 128 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1vk1 h GLU 128 CO 0.19 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.90 1vk1 n LYS 129 N -2.74 2.55 -0.20 1.06 4.76 -1.26 -4.65 118.16 117.69 1vk1 n LYS 129 Ca -0.00 -2.21 -0.03 0.00 -2.87 0.00 0.00 58.31 53.19 1vk1 n LYS 129 Cb 0.18 -1.53 0.08 0.00 -1.84 0.00 0.00 35.03 31.91 1vk1 n LYS 129 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vk1 h ALA 130 N 4.07 0.76 -0.48 7.82 0.00 -1.66 -2.61 119.26 127.16 1vk1 h ALA 130 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1vk1 h ALA 130 Cb 0.89 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1vk1 h ALA 130 CO 0.03 -0.04 0.24 1.49 0.00 0.00 0.00 179.25 180.97 1vk1 h GLU 131 N 0.57 0.69 -0.55 0.00 4.81 -1.84 0.27 114.58 118.53 1vk1 h GLU 131 Ca 0.26 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1vk1 h GLU 131 Cb 0.17 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1vk1 h GLU 131 CO -0.18 0.58 0.00 -1.91 -0.73 0.00 0.00 179.01 176.77 1vk1 n GLU 132 N -4.63 0.05 0.00 1.92 2.13 -0.98 -1.29 120.64 117.83 1vk1 n GLU 132 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1vk1 n GLU 132 Cb 0.11 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1vk1 n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vk1 n ALA 134 N 0.61 0.00 -0.16 4.31 0.00 0.08 -4.73 120.51 120.62 1vk1 n ALA 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vk1 n ALA 134 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1vk1 n ALA 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vk1 n GLU 135 N 0.00 0.37 -0.74 0.00 -0.58 -0.42 -4.34 120.64 114.93 1vk1 n GLU 135 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1vk1 n GLU 135 Cb 0.00 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 1vk1 n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vk1 n GLY 137 N 1.77 0.77 0.10 0.62 0.00 -1.26 -4.89 105.19 102.30 1vk1 n GLY 137 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1vk1 n GLY 137 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vk1 n GLU 138 N 0.07 0.61 -4.30 1.61 1.02 -1.26 -4.92 120.64 113.47 1vk1 n GLU 138 Ca -0.05 0.10 -0.16 0.00 -0.02 0.00 0.00 57.16 57.03 1vk1 n GLU 138 Cb 0.68 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 1vk1 n GLU 138 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1vk1 s ILE 139 N -3.30 0.64 -0.02 -3.67 -4.36 -1.26 -4.58 121.20 104.65 1vk1 s ILE 139 Ca -0.02 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.12 1vk1 s ILE 139 Cb 0.10 -2.49 -0.19 0.00 1.25 0.00 0.00 42.46 41.12 1vk1 s ILE 139 CO 0.81 -0.14 1.22 0.00 0.24 0.00 0.00 174.94 177.06 1vk1 h ALA 140 N 2.46 -0.07 -2.45 2.27 0.00 -0.55 -3.44 119.26 117.48 1vk1 h ALA 140 Ca -0.38 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1vk1 h ALA 140 Cb 1.23 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.85 1vk1 h ALA 140 CO 0.62 -0.30 -0.21 -0.06 0.00 0.00 0.00 179.25 179.30 1vk1 s PHE 141 N -4.20 -0.26 0.04 0.00 0.08 -1.14 -4.68 117.98 107.82 1vk1 s PHE 141 Ca -0.15 0.42 -0.11 0.00 0.12 0.00 0.00 56.93 57.22 1vk1 s PHE 141 Cb 0.02 0.14 -0.06 0.00 -0.57 0.00 0.00 43.02 42.55 1vk1 s PHE 141 CO 0.64 -0.41 0.37 0.00 -0.10 0.00 0.00 175.22 175.72 1vk1 s ALA 142 N -1.24 3.74 -0.30 5.36 0.00 -0.09 -0.93 121.76 128.30 1vk1 s ALA 142 Ca -0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1vk1 s ALA 142 Cb -0.04 -2.26 0.06 0.00 0.00 0.00 0.00 23.12 20.87 1vk1 s ALA 142 CO 0.05 0.56 -0.01 -1.17 0.00 0.00 0.00 175.76 175.18 1vk1 s LEU 143 N -1.64 3.91 -0.12 0.00 2.96 0.26 -0.61 118.68 123.44 1vk1 s LEU 143 Ca 0.29 -1.39 0.03 0.00 -0.22 0.00 0.00 54.13 52.83 1vk1 s LEU 143 Cb -0.14 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1vk1 s LEU 143 CO 0.16 -0.27 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.09 1vk1 s ILE 144 N 1.19 1.88 0.00 6.68 -1.09 -0.11 -0.77 121.20 128.99 1vk1 s ILE 144 Ca -0.05 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1vk1 s ILE 144 Cb -0.20 -1.67 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 1vk1 s ILE 144 CO -0.03 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1vk1 n GLY 145 N 4.00 2.86 0.32 6.18 0.00 -1.26 -1.00 105.19 116.29 1vk1 n GLY 145 Ca -0.20 0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 1vk1 n GLY 145 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vk1 h GLU 146 N 0.00 0.98 -6.06 1.61 4.22 -1.97 -3.42 114.58 109.94 1vk1 h GLU 146 Ca 0.00 -0.06 -0.52 0.00 0.08 0.00 0.00 59.36 58.86 1vk1 h GLU 146 Cb 0.00 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 28.97 1vk1 h GLU 146 CO 0.00 0.65 -0.43 0.15 -2.18 0.00 0.00 179.01 177.19 1vk1 s LYS 147 N -6.08 2.40 -0.13 1.92 -0.14 -1.26 -5.14 119.74 111.31 1vk1 s LYS 147 Ca -0.13 -1.66 0.00 0.00 -1.36 0.00 0.00 55.97 52.83 1vk1 s LYS 147 Cb 0.18 -2.21 0.02 0.00 -1.68 0.00 0.00 37.83 34.14 1vk1 s LYS 147 CO 0.79 -0.14 -0.12 0.45 -0.76 0.00 0.00 175.35 175.57 1vk1 s SER 148 N -4.02 2.51 0.04 2.83 0.15 -1.26 -4.39 113.70 109.56 1vk1 s SER 148 Ca 0.45 -0.43 0.08 0.00 0.70 0.00 0.00 55.95 56.75 1vk1 s SER 148 Cb -0.00 -1.07 -0.03 0.00 -1.71 0.00 0.00 66.02 63.21 1vk1 s SER 148 CO 0.25 -0.07 -0.23 -0.36 1.20 0.00 0.00 173.24 174.03 1vk1 s PHE 149 N 1.51 2.02 -0.14 3.44 0.08 0.05 -1.06 117.98 123.88 1vk1 s PHE 149 Ca 0.04 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.61 1vk1 s PHE 149 Cb -0.13 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.06 1vk1 s PHE 149 CO -0.09 0.10 0.18 0.00 -0.10 0.00 0.00 175.22 175.30 1vk1 s ALA 150 N -0.79 3.77 -0.42 5.36 0.00 0.67 -0.57 121.76 129.78 1vk1 s ALA 150 Ca 0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1vk1 s ALA 150 Cb -0.09 -2.12 0.11 0.00 0.00 0.00 0.00 23.12 21.02 1vk1 s ALA 150 CO 0.02 0.39 0.22 0.42 0.00 0.00 0.00 175.76 176.81 1vk1 s ILE 151 N -0.37 3.39 0.74 0.00 1.01 -0.10 -1.05 121.20 124.81 1vk1 s ILE 151 Ca 0.13 -2.05 -0.14 0.00 0.00 0.00 0.00 60.65 58.59 1vk1 s ILE 151 Cb -0.12 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.08 1vk1 s ILE 151 CO 0.03 -0.71 1.15 -2.16 0.00 0.00 0.00 174.94 173.25 1vk1 s PRO 152 N 1.13 2.24 0.00 2.79 0.04 -1.26 -1.05 135.00 138.90 1vk1 s PRO 152 Ca 0.08 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1vk1 s PRO 152 Cb -0.23 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1vk1 s PRO 152 CO -0.04 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.70 1vk1 n GLY 153 N -0.19 0.68 0.00 0.56 0.00 -1.26 -4.39 105.19 100.59 1vk1 n GLY 153 Ca 0.11 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1vk1 n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vk1 n GLY 154 N 0.00 5.13 0.18 -0.02 0.00 -1.26 -2.12 105.19 107.10 1vk1 n GLY 154 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 1vk1 n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vk1 h LEU 155 N 0.00 -0.03 -0.73 0.99 5.85 -1.96 -0.64 115.31 118.79 1vk1 h LEU 155 Ca 0.00 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1vk1 h LEU 155 Cb 0.00 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1vk1 h LEU 155 CO 0.00 0.02 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.72 1vk1 h GLU 156 N 0.20 0.91 -0.36 1.25 4.39 -1.98 -2.52 114.58 116.47 1vk1 h GLU 156 Ca 0.22 -0.30 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 1vk1 h GLU 156 Cb 0.30 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1vk1 h GLU 156 CO -0.31 0.94 -0.22 0.93 -1.16 0.00 0.00 179.01 179.19 1vk1 h GLU 157 N 0.82 0.70 -1.59 2.33 3.07 -1.78 -1.64 114.58 116.49 1vk1 h GLU 157 Ca 0.14 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1vk1 h GLU 157 Cb 0.58 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1vk1 h GLU 157 CO 0.04 0.87 0.00 1.04 -1.40 0.00 0.00 179.01 179.55 1vk1 n GLN 158 N -4.12 0.00 0.00 2.33 6.02 -0.29 -1.17 117.38 120.16 1vk1 n GLN 158 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1vk1 n GLN 158 Cb 0.42 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1vk1 n GLN 158 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1vk1 n LYS 160 N 0.90 0.00 -0.02 -1.09 5.02 -0.62 -1.33 118.16 121.02 1vk1 n LYS 160 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1vk1 n LYS 160 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1vk1 n LYS 160 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1vk1 h VAL 161 N 0.00 0.93 -0.48 -0.18 2.07 -1.43 -2.33 116.25 114.84 1vk1 h VAL 161 Ca 0.00 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1vk1 h VAL 161 Cb 0.00 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1vk1 h VAL 161 CO 0.00 0.01 0.09 0.28 0.02 0.00 0.00 177.57 177.98 1vk1 h SER 162 N 0.07 0.68 -0.30 0.57 0.02 -1.47 -1.26 113.55 111.86 1vk1 h SER 162 Ca 0.06 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1vk1 h SER 162 Cb 0.06 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1vk1 h SER 162 CO -0.09 0.69 0.16 0.50 -1.14 0.00 0.00 176.83 176.95 1vk1 h LYS 163 N 0.71 0.42 -0.26 3.45 3.64 -1.78 -0.70 116.57 122.05 1vk1 h LYS 163 Ca 0.16 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1vk1 h LYS 163 Cb 0.30 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1vk1 h LYS 163 CO 0.00 0.38 0.14 0.28 -2.27 0.00 0.00 179.45 177.99 1vk1 h VAL 164 N 0.36 1.02 -0.87 2.00 2.07 -0.99 -1.30 116.25 118.54 1vk1 h VAL 164 Ca 0.10 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1vk1 h VAL 164 Cb 0.09 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1vk1 h VAL 164 CO -0.02 0.05 0.57 -0.07 0.02 0.00 0.00 177.57 178.13 1vk1 h LEU 165 N 0.30 1.00 -0.52 2.57 3.38 -1.03 -0.65 115.31 120.37 1vk1 h LEU 165 Ca 0.10 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1vk1 h LEU 165 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1vk1 h LEU 165 CO -0.06 0.74 0.18 -0.78 0.09 0.00 0.00 178.44 178.61 1vk1 h ASP 166 N 1.18 0.74 -0.58 -0.43 3.58 -0.87 0.46 116.42 120.50 1vk1 h ASP 166 Ca 0.32 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1vk1 h ASP 166 Cb -0.12 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 1vk1 h ASP 166 CO -0.07 0.74 0.29 -0.33 -2.88 0.00 0.00 179.24 176.98 1vk1 h GLU 167 N 0.70 0.83 -0.15 0.28 5.08 -0.84 -0.40 114.58 120.08 1vk1 h GLU 167 Ca 0.17 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1vk1 h GLU 167 Cb 0.25 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1vk1 h GLU 167 CO -0.01 0.67 -0.45 0.52 -1.00 0.00 0.00 179.01 178.74 1vk1 h MET 168 N 0.79 0.36 0.23 2.33 2.86 -0.91 -1.33 114.93 119.26 1vk1 h MET 168 Ca 0.20 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1vk1 h MET 168 Cb 0.11 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1vk1 h MET 168 CO -0.03 0.75 -0.11 0.22 1.06 0.00 0.00 176.91 178.80 1vk1 h ASP 169 N 0.30 -0.26 -0.53 1.22 3.58 -0.67 -0.96 116.42 119.10 1vk1 h ASP 169 Ca 0.02 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1vk1 h ASP 169 Cb 0.91 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 1vk1 h ASP 169 CO 0.08 -0.16 0.28 1.56 -2.88 0.00 0.00 179.24 178.12 1vk1 h GLN 170 N -0.34 0.77 0.00 0.28 1.08 -0.87 -3.42 115.11 112.62 1vk1 h GLN 170 Ca -0.03 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1vk1 h GLN 170 Cb 0.26 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1vk1 h GLN 170 CO 0.05 0.59 0.00 0.00 -0.95 0.00 0.00 178.83 178.52 1vk1 n ALA 171 N -2.45 0.00 0.00 3.87 0.00 -0.52 -5.10 120.51 116.30 1vk1 n ALA 171 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1vk1 n ALA 171 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1vk1 n ALA 171 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vk1 n GLU 173 N -0.58 0.00 -4.25 0.00 1.02 -0.37 -5.06 120.64 111.40 1vk1 n GLU 173 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1vk1 n GLU 173 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1vk1 n GLU 173 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1vk1 s ILE 174 N 0.00 0.71 -0.22 -3.67 -4.36 -1.18 -4.67 121.20 107.81 1vk1 s ILE 174 Ca 0.00 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.31 1vk1 s ILE 174 Cb 0.00 -2.16 -0.05 0.00 1.25 0.00 0.00 42.46 41.51 1vk1 s ILE 174 CO 0.00 -0.45 0.12 -1.61 0.24 0.00 0.00 174.94 173.25 1vk1 s GLU 175 N -3.91 4.02 -0.24 0.37 0.41 -1.26 -4.37 118.70 113.71 1vk1 s GLU 175 Ca 0.25 -0.30 -0.05 0.00 -0.41 0.00 0.00 54.97 54.45 1vk1 s GLU 175 Cb 0.06 -3.42 -0.01 0.00 -1.78 0.00 0.00 34.13 28.98 1vk1 s GLU 175 CO 0.05 0.12 0.01 -1.17 -0.49 0.00 0.00 175.26 173.78 1vk1 s LEU 176 N 0.85 3.23 0.11 1.80 2.96 -1.26 -4.23 118.68 122.13 1vk1 s LEU 176 Ca 0.06 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1vk1 s LEU 176 Cb -0.13 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1vk1 s LEU 176 CO 0.03 -0.06 -0.16 0.68 -1.32 0.00 0.00 176.35 175.51 1vk1 s VAL 177 N 1.52 1.41 -0.21 1.68 -7.23 -0.19 -4.99 120.40 112.38 1vk1 s VAL 177 Ca 0.05 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1vk1 s VAL 177 Cb -0.15 -1.43 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1vk1 s VAL 177 CO -0.00 -0.26 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.11 1vk1 s TYR 178 N -1.62 2.91 -0.08 2.82 2.02 -1.26 0.05 117.35 122.19 1vk1 s TYR 178 Ca 0.06 -1.29 -0.15 0.00 -0.37 0.00 0.00 57.07 55.31 1vk1 s TYR 178 Cb -0.08 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.40 1vk1 s TYR 178 CO 0.03 -0.67 0.38 0.71 -1.57 0.00 0.00 175.55 174.43 1vk1 s TYR 179 N 1.39 3.60 0.22 2.71 2.02 -0.02 -4.84 117.35 122.43 1vk1 s TYR 179 Ca 0.05 0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 57.55 1vk1 s TYR 179 Cb -0.14 -2.34 0.21 0.00 -0.40 0.00 0.00 41.96 39.29 1vk1 s TYR 179 CO -0.07 0.44 1.62 0.78 -1.57 0.00 0.00 175.55 176.75 1vk1 h GLY 180 N 5.70 0.76 -5.30 0.71 0.00 -1.88 0.30 103.07 103.35 1vk1 h GLY 180 Ca -0.47 -0.67 -0.68 0.00 0.00 0.00 0.00 47.33 45.51 1vk1 h GLY 180 CO 0.68 0.61 -0.86 1.08 0.00 0.00 0.00 176.54 178.05 1vk1 s LEU 181 N -8.79 2.20 0.36 3.11 1.43 -1.26 -4.70 118.68 111.02 1vk1 s LEU 181 Ca -0.09 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1vk1 s LEU 181 Cb 0.13 -1.44 0.67 0.00 0.03 0.00 0.00 46.19 45.58 1vk1 s LEU 181 CO 0.83 0.18 2.00 0.50 0.23 0.00 0.00 176.35 180.08 1vk1 h LYS 182 N 6.57 0.73 -0.72 1.70 3.64 -1.95 -2.18 116.57 124.36 1vk1 h LYS 182 Ca -0.23 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1vk1 h LYS 182 Cb 1.22 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1vk1 h LYS 182 CO 0.48 0.52 0.28 0.93 -2.27 0.00 0.00 179.45 179.39 1vk1 h GLU 183 N 0.74 1.07 -0.41 1.90 5.08 -1.99 -1.27 114.58 119.70 1vk1 h GLU 183 Ca 0.19 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1vk1 h GLU 183 Cb -0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1vk1 h GLU 183 CO -0.04 0.87 0.07 -0.44 -1.00 0.00 0.00 179.01 178.47 1vk1 h ASP 184 N 1.04 0.65 -0.41 1.42 3.32 -1.83 -0.05 116.42 120.56 1vk1 h ASP 184 Ca 0.24 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1vk1 h ASP 184 Cb 0.21 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1vk1 h ASP 184 CO -0.02 0.74 0.22 0.00 -1.72 0.00 0.00 179.24 178.47 1vk1 h ALA 185 N 0.93 0.52 -0.68 3.45 0.00 -1.19 -0.95 119.26 121.34 1vk1 h ALA 185 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1vk1 h ALA 185 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1vk1 h ALA 185 CO 0.01 -0.12 0.19 0.87 0.00 0.00 0.00 179.25 180.20 1vk1 h LYS 186 N 0.45 1.07 -0.86 0.00 1.57 -1.10 -0.76 116.57 116.95 1vk1 h LYS 186 Ca 0.17 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1vk1 h LYS 186 Cb 0.04 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1vk1 h LYS 186 CO -0.10 0.94 0.44 0.00 -0.57 0.00 0.00 179.45 180.16 1vk1 h ALA 187 N 1.08 1.15 0.00 3.86 0.00 -0.75 -1.69 119.26 122.91 1vk1 h ALA 187 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1vk1 h ALA 187 Cb 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1vk1 h ALA 187 CO -0.00 0.66 -0.64 -0.44 0.00 0.00 0.00 179.25 178.83 1vk1 h ASP 188 N 1.22 0.00 -0.57 0.00 5.19 -0.83 -2.32 116.42 119.11 1vk1 h ASP 188 Ca 0.30 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.63 1vk1 h ASP 188 Cb 0.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1vk1 h ASP 188 CO -0.04 0.64 0.07 0.24 -3.12 0.00 0.00 179.24 177.02 1vk1 h MET 189 N 0.00 0.97 -0.70 3.56 2.86 -0.86 0.58 114.93 121.35 1vk1 h MET 189 Ca -0.01 -0.28 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1vk1 h MET 189 Cb 1.13 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 1vk1 h MET 189 CO 0.08 0.94 0.44 0.93 1.06 0.00 0.00 176.91 180.36 1vk1 h GLU 190 N 0.86 0.83 0.00 1.72 3.07 -1.12 -1.79 114.58 118.15 1vk1 h GLU 190 Ca 0.17 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1vk1 h GLU 190 Cb 0.46 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1vk1 h GLU 190 CO 0.02 0.55 0.00 1.63 -1.40 0.00 0.00 179.01 179.81 1vk1 n LYS 191 N -4.67 0.02 -0.94 2.33 5.02 -0.89 -4.90 118.16 114.13 1vk1 n LYS 191 Ca 0.07 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1vk1 n LYS 191 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1vk1 n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vk1 n GLY 192 N 0.58 0.47 0.11 0.72 0.00 -0.67 -4.95 105.19 101.44 1vk1 n GLY 192 Ca 0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 1vk1 n GLY 192 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vk1 h GLU 193 N 0.52 0.18 -5.00 1.61 3.07 -1.14 -3.46 114.58 110.36 1vk1 h GLU 193 Ca 0.00 -0.24 -0.31 0.00 -0.50 0.00 0.00 59.36 58.31 1vk1 h GLU 193 Cb 0.00 0.08 -0.15 0.00 -0.84 0.00 0.00 28.75 27.84 1vk1 h GLU 193 CO 0.00 1.02 -0.71 0.96 -1.40 0.00 0.00 179.01 178.88 1vk1 s ILE 194 N -3.02 1.08 -0.26 3.13 -4.36 -1.18 -4.99 121.20 111.59 1vk1 s ILE 194 Ca -0.03 -2.04 -0.04 0.00 -0.26 0.00 0.00 60.65 58.28 1vk1 s ILE 194 Cb 0.09 -1.86 -0.16 0.00 1.25 0.00 0.00 42.46 41.79 1vk1 s ILE 194 CO 0.84 -0.73 -0.24 0.47 0.24 0.00 0.00 174.94 175.51 1vk1 n ASP 195 N -0.19 1.98 -3.94 4.36 8.00 -0.26 -4.23 116.55 122.27 1vk1 n ASP 195 Ca -0.10 0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.35 1vk1 n ASP 195 Cb 0.61 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1vk1 n ASP 195 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1vk1 s TYR 196 N -2.51 0.19 0.02 1.24 1.51 -1.21 -4.41 117.35 112.18 1vk1 s TYR 196 Ca -0.36 -0.44 0.06 0.00 -1.01 0.00 0.00 57.07 55.32 1vk1 s TYR 196 Cb 0.11 -0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.80 1vk1 s TYR 196 CO 0.57 -0.30 -0.17 0.54 -1.11 0.00 0.00 175.55 175.09 1vk1 s VAL 197 N -2.02 1.34 -0.22 0.71 0.11 -0.17 -1.68 120.40 118.48 1vk1 s VAL 197 Ca -0.10 -0.94 -0.12 0.00 -2.93 0.00 0.00 61.98 57.89 1vk1 s VAL 197 Cb -0.05 -1.16 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 1vk1 s VAL 197 CO -0.02 0.20 0.23 -0.36 -3.33 0.00 0.00 175.10 171.82 1vk1 s PHE 198 N -0.65 3.36 -0.14 1.54 0.08 0.51 -0.93 117.98 121.74 1vk1 s PHE 198 Ca 0.05 0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.49 1vk1 s PHE 198 Cb -0.07 -2.32 -0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1vk1 s PHE 198 CO 0.01 0.10 -0.16 0.42 -0.10 0.00 0.00 175.22 175.48 1vk1 s ILE 199 N 0.96 2.63 0.00 0.64 1.01 0.22 -3.80 121.20 122.86 1vk1 s ILE 199 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1vk1 s ILE 199 Cb -0.13 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1vk1 s ILE 199 CO 0.04 0.53 0.00 -2.11 0.00 0.00 0.00 174.94 173.40 1vk1 n ARG 200 N 3.83 0.00 -4.82 2.79 1.85 -1.26 -0.92 116.66 118.12 1vk1 n ARG 200 Ca -0.19 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.36 1vk1 n ARG 200 Cb 0.52 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.79 1vk1 n ARG 200 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vk1 s ALA 202 N -2.00 2.35 0.76 2.89 0.00 -1.26 -4.79 121.76 119.71 1vk1 s ALA 202 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1vk1 s ALA 202 Cb 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.63 1vk1 s ALA 202 CO 0.00 0.54 1.08 -1.25 0.00 0.00 0.00 175.76 176.13 1vk1 s PRO 203 N -1.32 2.37 0.62 0.00 0.04 -1.26 -5.03 135.00 130.43 1vk1 s PRO 203 Ca 0.13 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 1vk1 s PRO 203 Cb -0.10 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1vk1 s PRO 203 CO 0.03 -1.51 0.96 0.95 0.04 0.00 0.00 177.00 177.47 1vk1 s THR 204 N -2.99 3.64 0.28 1.26 -4.23 -1.26 -4.78 115.64 107.57 1vk1 s THR 204 Ca 0.60 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 61.24 1vk1 s THR 204 Cb -0.16 -3.48 0.26 0.00 1.34 0.00 0.00 72.50 70.47 1vk1 s THR 204 CO 0.56 -0.53 1.95 0.11 -0.54 0.00 0.00 174.62 176.16 1vk1 h LYS 205 N -0.32 1.20 -0.91 3.99 1.57 -1.97 -1.12 116.57 119.01 1vk1 h LYS 205 Ca -0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1vk1 h LYS 205 Cb 1.25 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 1vk1 h LYS 205 CO 0.62 0.79 0.58 0.93 -0.57 0.00 0.00 179.45 181.80 1vk1 h GLU 206 N 1.23 1.21 -0.69 3.15 3.07 -1.99 -1.13 114.58 119.45 1vk1 h GLU 206 Ca 0.34 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 59.04 1vk1 h GLU 206 Cb -0.13 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 27.48 1vk1 h GLU 206 CO -0.08 0.82 0.17 0.93 -1.40 0.00 0.00 179.01 179.46 1vk1 h GLU 207 N 1.24 1.09 -0.08 2.33 5.08 -1.75 -0.34 114.58 122.15 1vk1 h GLU 207 Ca 0.33 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1vk1 h GLU 207 Cb -0.10 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1vk1 h GLU 207 CO -0.07 0.96 0.04 0.28 -1.00 0.00 0.00 179.01 179.22 1vk1 h VAL 208 N 1.04 1.13 -0.52 3.13 2.07 -0.76 -1.28 116.25 121.06 1vk1 h VAL 208 Ca 0.22 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1vk1 h VAL 208 Cb 0.36 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1vk1 h VAL 208 CO 0.00 0.11 -0.07 -0.03 0.02 0.00 0.00 177.57 177.60 1vk1 h MET 209 N -0.01 0.94 -0.93 1.57 1.85 -1.13 -1.77 114.93 115.46 1vk1 h MET 209 Ca 0.03 -0.31 -0.01 0.00 -0.61 0.00 0.00 59.70 58.80 1vk1 h MET 209 Cb 0.15 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.06 1vk1 h MET 209 CO -0.00 0.97 0.54 1.49 -0.40 0.00 0.00 176.91 179.51 1vk1 h GLU 210 N 0.85 1.27 -0.16 0.39 4.81 -0.97 -0.92 114.58 119.86 1vk1 h GLU 210 Ca 0.14 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1vk1 h GLU 210 Cb 0.60 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1vk1 h GLU 210 CO 0.04 0.90 0.03 1.25 -0.73 0.00 0.00 179.01 180.50 1vk1 h LEU 211 N 1.29 0.25 -1.24 1.64 5.85 -0.82 -2.45 115.31 119.83 1vk1 h LEU 211 Ca 0.33 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1vk1 h LEU 211 Cb -0.03 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1vk1 h LEU 211 CO -0.06 0.45 -0.24 1.62 -0.34 0.00 0.00 178.44 179.87 1vk1 h VAL 212 N 0.04 1.23 0.00 1.05 3.04 -1.15 -1.79 116.25 118.67 1vk1 h VAL 212 Ca 0.05 -1.07 -0.02 0.00 -1.01 0.00 0.00 66.70 64.65 1vk1 h VAL 212 Cb 0.30 1.40 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1vk1 h VAL 212 CO 0.00 0.32 -0.08 0.11 -1.01 0.00 0.00 177.57 176.91 1vk1 h LYS 213 N 0.20 0.00 -0.64 4.17 1.57 -0.94 -2.24 116.57 118.69 1vk1 h LYS 213 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1vk1 h LYS 213 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1vk1 h LYS 213 CO 0.04 0.08 0.00 2.89 -0.57 0.00 0.00 179.45 181.89 1vk1 n ARG 214 N -3.25 2.69 -0.99 3.15 1.85 -0.74 -4.97 116.66 114.40 1vk1 n ARG 214 Ca -0.00 -2.55 0.00 0.00 -1.00 0.00 0.00 57.85 54.30 1vk1 n ARG 214 Cb 0.32 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 1vk1 n ARG 214 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vk1 n GLY 215 N 1.54 0.42 3.83 2.89 0.00 -0.84 -5.04 105.19 107.99 1vk1 n GLY 215 Ca 0.23 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1vk1 n GLY 215 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vk1 s GLU 216 N -1.47 2.66 0.05 1.61 2.56 -0.80 -5.02 118.70 118.29 1vk1 s GLU 216 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 54.97 53.68 1vk1 s GLU 216 Cb 0.00 -2.42 -0.03 0.00 2.00 0.00 0.00 34.13 33.68 1vk1 s GLU 216 CO 0.00 0.10 -0.12 0.14 -0.56 0.00 0.00 175.26 174.82 1vk1 s VAL 217 N -2.32 0.95 0.89 3.70 -7.23 -1.26 -4.18 120.40 110.95 1vk1 s VAL 217 Ca 0.40 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 59.31 1vk1 s VAL 217 Cb -0.05 -0.92 0.13 0.00 0.56 0.00 0.00 36.38 36.10 1vk1 s VAL 217 CO 0.26 -0.19 1.17 -0.36 -0.31 0.00 0.00 175.10 175.67 1vk1 s PHE 218 N -1.14 2.52 0.94 2.82 0.08 0.24 -4.87 117.98 118.57 1vk1 s PHE 218 Ca -0.03 0.76 -0.12 0.00 0.12 0.00 0.00 56.93 57.67 1vk1 s PHE 218 Cb -0.09 -3.49 0.16 0.00 -0.57 0.00 0.00 43.02 39.02 1vk1 s PHE 218 CO 0.01 -2.24 1.09 -1.54 -0.10 0.00 0.00 175.22 172.45 1vk1 s SER 219 N -4.29 3.02 -0.48 1.36 1.04 -1.26 -1.08 113.70 112.01 1vk1 s SER 219 Ca 0.64 1.55 -0.27 0.00 0.48 0.00 0.00 55.95 58.36 1vk1 s SER 219 Cb -0.12 -2.21 -0.29 0.00 0.10 0.00 0.00 66.02 63.50 1vk1 s SER 219 CO 0.52 -2.94 1.75 -2.65 0.98 0.00 0.00 173.24 170.90 1vk1 n PRO 220 N -4.08 0.04 0.00 4.02 -0.02 -1.26 -4.06 135.00 129.65 1vk1 n PRO 220 Ca 0.07 -1.23 0.00 0.00 -2.02 0.00 0.00 63.50 60.32 1vk1 n PRO 220 Cb 0.55 -3.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 1vk1 n PRO 220 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1vk1 n THR 222 N 7.68 0.00 -4.14 3.45 -1.04 -1.26 -4.95 114.28 114.02 1vk1 n THR 222 Ca 0.40 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.10 1vk1 n THR 222 Cb 0.44 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.87 1vk1 n THR 222 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1vk1 s THR 223 N -0.87 4.28 -0.25 12.58 -4.23 -1.26 -4.24 115.64 121.65 1vk1 s THR 223 Ca 0.00 -0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1vk1 s THR 223 Cb 0.00 -3.01 0.09 0.00 1.34 0.00 0.00 72.50 70.92 1vk1 s THR 223 CO 0.00 0.20 0.10 -0.60 -0.54 0.00 0.00 174.62 173.79 1vk1 s ARG 224 N -2.10 0.31 0.09 3.99 3.52 -0.13 -4.68 118.95 119.94 1vk1 s ARG 224 Ca 0.25 -0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 55.23 1vk1 s ARG 224 Cb -0.12 -1.57 -0.06 0.00 -1.56 0.00 0.00 34.95 31.64 1vk1 s ARG 224 CO 0.17 -0.89 0.45 -1.01 -0.81 0.00 0.00 175.30 173.22 1vk1 s HIS 225 N 2.00 3.61 -0.03 5.12 3.76 -1.26 -0.43 115.29 128.05 1vk1 s HIS 225 Ca 0.06 0.90 0.03 0.00 -0.15 0.00 0.00 55.06 55.90 1vk1 s HIS 225 Cb -0.16 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.29 1vk1 s HIS 225 CO -0.25 0.50 -0.11 0.08 -0.85 0.00 0.00 174.74 174.11 1vk1 s VAL 226 N -1.38 0.99 0.46 -0.90 1.01 0.25 -4.99 120.40 115.84 1vk1 s VAL 226 Ca 0.33 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1vk1 s VAL 226 Cb -0.15 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1vk1 s VAL 226 CO 0.18 0.30 0.37 -0.76 0.00 0.00 0.00 175.10 175.19 1vk1 s LEU 227 N 0.21 3.15 0.02 3.92 1.43 -1.26 -0.86 118.68 125.28 1vk1 s LEU 227 Ca -0.05 -0.94 0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1vk1 s LEU 227 Cb -0.10 -1.70 0.58 0.00 0.03 0.00 0.00 46.19 45.00 1vk1 s LEU 227 CO 0.01 -0.79 1.44 -2.65 0.23 0.00 0.00 176.35 174.59 1vk1 n PRO 228 N -1.59 0.01 -4.07 1.29 -0.02 -1.23 -4.78 135.00 124.61 1vk1 n PRO 228 Ca 0.02 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 1vk1 n PRO 228 Cb 0.63 -1.52 -0.08 0.00 -0.02 0.00 0.00 33.50 32.50 1vk1 n PRO 228 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1vk1 s PHE 229 N -3.02 0.68 -0.25 6.00 -0.12 -1.26 -4.29 117.98 115.71 1vk1 s PHE 229 Ca 0.06 -1.03 -0.09 0.00 -0.05 0.00 0.00 56.93 55.83 1vk1 s PHE 229 Cb 0.09 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1vk1 s PHE 229 CO 0.25 -0.66 0.11 0.42 -0.05 0.00 0.00 175.22 175.29 1vk1 s ILE 230 N -4.03 4.68 0.23 -4.49 1.01 0.27 -4.96 121.20 113.91 1vk1 s ILE 230 Ca 0.24 -0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 1vk1 s ILE 230 Cb 0.05 -3.20 -0.12 0.00 0.01 0.00 0.00 42.46 39.20 1vk1 s ILE 230 CO 0.03 0.32 1.69 -2.84 0.00 0.00 0.00 174.94 174.15 1vk1 s PRO 231 N 1.57 4.12 0.62 2.79 0.02 -1.26 -0.89 135.00 141.96 1vk1 s PRO 231 Ca 0.06 2.61 -0.17 0.00 0.02 0.00 0.00 61.00 63.53 1vk1 s PRO 231 Cb -0.15 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1vk1 s PRO 231 CO 0.06 -0.73 1.14 0.34 -0.33 0.00 0.00 177.00 177.48 1vk1 s ASP 232 N 0.99 5.25 0.68 2.53 -1.08 -0.10 -4.82 116.67 120.12 1vk1 s ASP 232 Ca 0.72 2.13 -0.14 0.00 -0.52 0.00 0.00 52.55 54.74 1vk1 s ASP 232 Cb -0.49 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.41 1vk1 s ASP 232 CO 0.37 -1.54 1.11 -1.59 0.52 0.00 0.00 175.17 174.03 1vk1 s LYS 233 N -3.72 2.68 0.52 4.34 -2.85 -1.26 -4.83 119.74 114.63 1vk1 s LYS 233 Ca 0.71 1.35 0.01 0.00 -1.00 0.00 0.00 55.97 57.04 1vk1 s LYS 233 Cb -0.23 -1.94 -0.00 0.00 -2.06 0.00 0.00 37.83 33.59 1vk1 s LYS 233 CO 0.36 -1.34 0.05 0.96 0.10 0.00 0.00 175.35 175.48 1vk1 s ILE 234 N -2.45 1.18 -0.41 3.79 -4.36 -0.04 -5.04 121.20 113.87 1vk1 s ILE 234 Ca 0.66 -1.94 0.06 0.00 -0.26 0.00 0.00 60.65 59.17 1vk1 s ILE 234 Cb -0.20 -2.12 0.20 0.00 1.25 0.00 0.00 42.46 41.59 1vk1 s ILE 234 CO 0.44 0.00 0.46 -0.67 0.24 0.00 0.00 174.94 175.41 1vk1 n ASP 235 N -1.34 -0.57 -4.43 4.36 2.03 -1.26 -4.29 116.55 111.05 1vk1 n ASP 235 Ca -0.18 -2.56 -0.34 0.00 0.52 0.00 0.00 54.79 52.23 1vk1 n ASP 235 Cb 0.67 -0.32 -0.13 0.00 -0.72 0.00 0.00 41.12 40.62 1vk1 n ASP 235 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1vk1 s VAL 236 N -0.30 3.56 0.23 5.18 1.01 -0.98 -4.99 120.40 124.11 1vk1 s VAL 236 Ca 0.33 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1vk1 s VAL 236 Cb 0.09 -2.55 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 1vk1 s VAL 236 CO -0.16 0.49 1.31 -0.54 0.00 0.00 0.00 175.10 176.20 1vk1 s LYS 237 N 0.51 4.39 0.30 2.72 3.01 -1.26 -0.37 119.74 129.03 1vk1 s LYS 237 Ca -0.05 2.09 0.04 0.00 -1.01 0.00 0.00 55.97 57.04 1vk1 s LYS 237 Cb -0.15 -3.17 0.67 0.00 -1.01 0.00 0.00 37.83 34.18 1vk1 s LYS 237 CO 0.03 -0.23 1.80 1.25 0.51 0.00 0.00 175.35 178.71 1vk1 h LEU 238 N 4.94 0.84 -1.93 3.17 5.85 -1.46 -1.16 115.31 125.56 1vk1 h LEU 238 Ca -0.46 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1vk1 h LEU 238 Cb 1.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1vk1 h LEU 238 CO 0.75 0.37 0.08 1.05 -0.34 0.00 0.00 178.44 180.35 1vk1 h GLU 239 N 0.86 0.09 0.00 1.25 9.09 -1.91 -1.30 114.58 122.65 1vk1 h GLU 239 Ca 0.54 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.95 1vk1 h GLU 239 Cb 0.73 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1vk1 h GLU 239 CO -0.33 0.06 0.00 -0.25 0.05 0.00 0.00 179.01 178.54 1vk1 n ASP 240 N -4.52 0.00 -0.32 3.06 8.00 -0.44 -2.40 116.55 119.94 1vk1 n ASP 240 Ca -0.01 0.36 0.13 0.00 0.71 0.00 0.00 54.79 55.98 1vk1 n ASP 240 Cb 0.14 -0.43 0.34 0.00 -0.02 0.00 0.00 41.12 41.15 1vk1 n ASP 240 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1vk1 n LEU 241 N -1.43 1.25 -0.88 0.64 4.77 -0.49 -4.94 117.00 115.93 1vk1 n LEU 241 Ca 0.05 -0.37 0.11 0.00 -0.03 0.00 0.00 56.01 55.77 1vk1 n LEU 241 Cb 0.15 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1vk1 n LEU 241 CO 0.13 0.23 0.60 0.49 -1.33 0.00 0.00 177.39 177.50