#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkc s TYR 3 N 0.00 -0.25 0.16 -0.32 -0.85 -1.26 -4.00 117.35 110.83 1vkc s TYR 3 Ca 0.00 0.01 0.09 0.00 -0.52 0.00 0.00 57.07 56.64 1vkc s TYR 3 Cb 0.00 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 1vkc s TYR 3 CO 0.00 -0.68 -0.19 0.95 -1.52 0.00 0.00 175.55 174.10 1vkc s THR 4 N -3.49 1.85 -0.23 -3.49 -4.23 -0.11 -4.92 115.64 101.01 1vkc s THR 4 Ca 0.01 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1vkc s THR 4 Cb 0.01 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 1vkc s THR 4 CO -0.10 -0.27 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.05 1vkc s ILE 5 N -1.92 3.44 0.30 2.99 1.01 -1.26 -0.64 121.20 125.12 1vkc s ILE 5 Ca 0.15 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1vkc s ILE 5 Cb -0.06 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1vkc s ILE 5 CO 0.07 0.37 0.16 0.68 0.00 0.00 0.00 174.94 176.22 1vkc s VAL 6 N 1.48 0.29 0.32 2.92 -7.23 -0.42 -4.95 120.40 112.80 1vkc s VAL 6 Ca 0.05 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 1vkc s VAL 6 Cb -0.15 -2.51 -0.11 0.00 0.56 0.00 0.00 36.38 34.17 1vkc s VAL 6 CO -0.02 0.00 1.53 -0.62 -0.31 0.00 0.00 175.10 175.67 1vkc s ASP 7 N -3.36 6.41 -0.17 4.85 -1.08 -1.26 -1.07 116.67 121.00 1vkc s ASP 7 Ca 0.36 2.94 0.16 0.00 -0.52 0.00 0.00 52.55 55.49 1vkc s ASP 7 Cb 0.05 -2.65 0.57 0.00 -1.46 0.00 0.00 42.92 39.43 1vkc s ASP 7 CO 0.18 -0.86 1.47 0.61 0.52 0.00 0.00 175.17 177.09 1vkc n GLY 8 N 1.49 3.66 0.37 2.66 0.00 0.25 -4.68 105.19 108.94 1vkc n GLY 8 Ca 0.05 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.21 1vkc n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vkc h GLU 9 N 2.31 0.82 0.00 1.61 4.57 -1.92 0.21 114.58 122.19 1vkc h GLU 9 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1vkc h GLU 9 Cb 1.46 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1vkc h GLU 9 CO 0.24 0.54 0.00 0.39 -1.18 0.00 0.00 179.01 179.01 1vkc n GLU 10 N -4.55 0.55 -0.13 1.92 -0.58 -1.26 -3.13 120.64 113.46 1vkc n GLU 10 Ca 0.16 0.01 0.06 0.00 -0.42 0.00 0.00 57.16 56.98 1vkc n GLU 10 Cb 0.36 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.86 1vkc n GLU 10 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1vkc n TYR 11 N -1.20 0.33 -0.32 -0.32 4.01 0.06 -4.71 117.16 115.00 1vkc n TYR 11 Ca 0.16 -0.31 0.07 0.00 -0.16 0.00 0.00 57.90 57.66 1vkc n TYR 11 Cb 0.19 -0.01 0.23 0.00 -0.31 0.00 0.00 39.34 39.44 1vkc n TYR 11 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1vkc h ILE 12 N 2.43 0.80 -0.34 -0.72 2.04 -1.48 0.11 117.51 120.35 1vkc h ILE 12 Ca 0.00 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1vkc h ILE 12 Cb 0.68 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1vkc h ILE 12 CO 0.00 0.14 0.12 -0.08 0.00 0.00 0.00 178.15 178.33 1vkc h GLU 13 N 0.76 0.53 -0.56 2.37 4.57 -1.88 0.95 114.58 121.33 1vkc h GLU 13 Ca 0.48 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.50 1vkc h GLU 13 Cb 0.60 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1vkc h GLU 13 CO -0.32 0.55 0.17 0.93 -1.18 0.00 0.00 179.01 179.15 1vkc h GLU 14 N 0.40 0.87 -0.55 1.92 3.07 -1.65 -1.42 114.58 117.22 1vkc h GLU 14 Ca 0.11 -0.19 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1vkc h GLU 14 Cb 0.23 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 1vkc h GLU 14 CO -0.01 0.80 0.30 0.82 -1.40 0.00 0.00 179.01 179.52 1vkc h ILE 15 N 0.78 0.99 -0.61 3.13 2.04 -0.59 0.09 117.51 123.34 1vkc h ILE 15 Ca 0.18 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1vkc h ILE 15 Cb 0.29 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1vkc h ILE 15 CO -0.00 0.11 0.37 0.50 0.00 0.00 0.00 178.15 179.13 1vkc h LYS 16 N 0.58 0.83 -0.44 2.37 3.64 -0.39 0.53 116.57 123.70 1vkc h LYS 16 Ca 0.24 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1vkc h LYS 16 Cb 0.11 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1vkc h LYS 16 CO -0.14 0.59 -0.29 0.87 -2.27 0.00 0.00 179.45 178.21 1vkc h LYS 17 N 0.83 0.97 -0.53 1.90 1.57 -0.96 -1.12 116.57 119.23 1vkc h LYS 17 Ca 0.22 -0.46 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1vkc h LYS 17 Cb -0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1vkc h LYS 17 CO -0.04 1.13 -0.05 1.25 -0.57 0.00 0.00 179.45 181.17 1vkc h LEU 18 N 0.82 0.96 -0.82 2.94 5.85 -0.72 -2.17 115.31 122.16 1vkc h LEU 18 Ca 0.09 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1vkc h LEU 18 Cb 0.88 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1vkc h LEU 18 CO 0.08 1.06 0.47 -0.78 -0.34 0.00 0.00 178.44 178.93 1vkc h ASP 19 N 0.84 1.01 -0.80 1.25 3.58 -0.76 -0.64 116.42 120.89 1vkc h ASP 19 Ca 0.14 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1vkc h ASP 19 Cb 0.60 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 1vkc h ASP 19 CO 0.04 0.80 0.48 -0.09 -2.88 0.00 0.00 179.24 177.58 1vkc h ARG 20 N 1.14 1.09 0.07 0.28 2.43 -1.00 0.13 114.38 118.51 1vkc h ARG 20 Ca 0.29 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1vkc h ARG 20 Cb -0.01 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1vkc h ARG 20 CO -0.05 0.77 -0.03 1.49 -1.51 0.00 0.00 179.97 180.64 1vkc h GLU 21 N 1.10 -0.09 -0.32 0.20 4.57 -0.94 -3.16 114.58 115.94 1vkc h GLU 21 Ca 0.29 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1vkc h GLU 21 Cb -0.03 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1vkc h GLU 21 CO -0.05 0.27 0.10 0.82 -1.18 0.00 0.00 179.01 178.97 1vkc h ILE 22 N -0.45 1.20 0.00 2.32 2.04 -1.00 -3.25 117.51 118.37 1vkc h ILE 22 Ca -0.01 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1vkc h ILE 22 Cb 0.40 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1vkc h ILE 22 CO 0.02 0.22 -0.22 0.28 0.00 0.00 0.00 178.15 178.45 1vkc h SER 23 N 0.36 0.00 -0.26 1.72 0.02 -0.79 -3.22 113.55 111.39 1vkc h SER 23 Ca 0.10 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1vkc h SER 23 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1vkc h SER 23 CO -0.00 0.22 0.17 0.22 -1.14 0.00 0.00 176.83 176.30 1vkc h TYR 24 N 0.00 0.31 0.00 3.45 3.20 -1.58 -2.16 116.97 120.19 1vkc h TYR 24 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1vkc h TYR 24 Cb 0.58 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1vkc h TYR 24 CO 0.00 0.19 0.00 0.66 -1.64 0.00 0.00 178.16 177.37 1vkc h SER 25 N 0.33 0.00 -0.06 -2.11 4.64 -1.77 -2.73 113.55 111.85 1vkc h SER 25 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1vkc h SER 25 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1vkc h SER 25 CO -0.02 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.43 1vkc n PHE 26 N -2.99 0.05 -2.52 4.77 3.01 -0.81 -4.93 117.46 114.04 1vkc n PHE 26 Ca 0.00 -0.03 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 1vkc n PHE 26 Cb 0.26 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.70 1vkc n PHE 26 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1vkc s VAL 27 N -1.95 4.34 -2.14 -4.37 1.01 -1.03 -4.94 120.40 111.32 1vkc s VAL 27 Ca 0.34 1.67 0.23 0.00 0.00 0.00 0.00 61.98 64.22 1vkc s VAL 27 Cb 0.20 -4.07 0.58 0.00 0.00 0.00 0.00 36.38 33.09 1vkc s VAL 27 CO 0.31 0.07 1.50 0.54 0.00 0.00 0.00 175.10 177.52 1vkc n ARG 28 N 4.45 2.66 -4.73 2.72 1.74 -1.26 -4.97 116.66 117.28 1vkc n ARG 28 Ca 0.09 -2.55 -0.31 0.00 -0.77 0.00 0.00 57.85 54.31 1vkc n ARG 28 Cb 0.47 -1.55 -0.13 0.00 -1.02 0.00 0.00 32.46 30.23 1vkc n ARG 28 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1vkc s PHE 29 N -1.16 2.53 -1.42 -1.55 0.08 -1.26 -5.03 117.98 110.16 1vkc s PHE 29 Ca 0.46 -0.28 -0.13 0.00 0.12 0.00 0.00 56.93 57.10 1vkc s PHE 29 Cb 0.25 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 41.22 1vkc s PHE 29 CO 0.33 0.22 2.38 -0.35 -0.10 0.00 0.00 175.22 177.70 1vkc n PRO 30 N 1.66 2.91 -3.82 0.24 -0.04 -1.26 -4.90 135.00 129.79 1vkc n PRO 30 Ca -0.16 -2.39 -0.29 0.00 -0.04 0.00 0.00 63.50 60.62 1vkc n PRO 30 Cb 0.52 -3.10 -0.04 0.00 -0.04 0.00 0.00 33.50 30.84 1vkc n PRO 30 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1vkc s ILE 31 N 3.12 5.28 0.66 0.52 -4.36 -1.26 -5.09 121.20 120.08 1vkc s ILE 31 Ca 0.53 -0.35 -0.15 0.00 -0.26 0.00 0.00 60.65 60.42 1vkc s ILE 31 Cb 0.15 -3.68 0.00 0.00 1.25 0.00 0.00 42.46 40.18 1vkc s ILE 31 CO -0.06 -0.01 1.11 -0.94 0.24 0.00 0.00 174.94 175.29 1vkc s SER 32 N -2.80 5.07 0.36 4.36 1.04 -1.26 -4.83 113.70 115.64 1vkc s SER 32 Ca 0.37 2.01 0.04 0.00 0.48 0.00 0.00 55.95 58.85 1vkc s SER 32 Cb -0.12 -2.55 0.66 0.00 0.10 0.00 0.00 66.02 64.11 1vkc s SER 32 CO 0.28 -1.65 1.96 0.22 0.98 0.00 0.00 173.24 175.02 1vkc h TYR 33 N 0.01 0.64 -0.41 5.02 5.03 -1.98 0.87 116.97 126.14 1vkc h TYR 33 Ca -0.47 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 60.82 1vkc h TYR 33 Cb 1.25 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.31 1vkc h TYR 33 CO 0.54 0.49 0.24 1.49 -1.32 0.00 0.00 178.16 179.60 1vkc h GLU 34 N 0.64 0.56 -0.63 1.82 4.57 -2.00 0.10 114.58 119.66 1vkc h GLU 34 Ca 0.16 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1vkc h GLU 34 Cb 0.10 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1vkc h GLU 34 CO -0.02 0.43 0.23 0.93 -1.18 0.00 0.00 179.01 179.40 1vkc h GLU 35 N 0.54 0.96 -0.12 1.92 5.08 -1.76 -2.70 114.58 118.50 1vkc h GLU 35 Ca 0.15 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1vkc h GLU 35 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1vkc h GLU 35 CO -0.03 0.82 0.07 -0.92 -1.00 0.00 0.00 179.01 177.95 1vkc h TYR 36 N 0.89 0.13 -0.60 4.33 5.03 -0.57 -2.10 116.97 124.09 1vkc h TYR 36 Ca 0.21 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.61 1vkc h TYR 36 Cb 0.24 -0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.41 1vkc h TYR 36 CO 0.02 0.08 0.24 0.93 -1.32 0.00 0.00 178.16 178.10 1vkc h GLU 37 N 0.15 0.42 -0.41 1.82 5.08 -0.66 0.27 114.58 121.25 1vkc h GLU 37 Ca 0.05 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1vkc h GLU 37 Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1vkc h GLU 37 CO -0.02 0.28 -0.30 1.05 -1.00 0.00 0.00 179.01 179.01 1vkc h GLU 38 N 0.43 0.90 -0.29 2.33 4.11 -1.34 -1.31 114.58 119.41 1vkc h GLU 38 Ca 0.29 -0.42 -0.16 0.00 0.07 0.00 0.00 59.36 59.14 1vkc h GLU 38 Cb 0.34 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1vkc h GLU 38 CO -0.28 1.08 -0.46 0.00 0.07 0.00 0.00 179.01 179.42 1vkc h ARG 39 N 0.76 0.82 -0.32 1.06 3.08 -1.00 -1.14 114.38 117.63 1vkc h ARG 39 Ca 0.08 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 59.66 1vkc h ARG 39 Cb 0.87 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1vkc h ARG 39 CO 0.08 1.13 0.17 1.25 -1.07 0.00 0.00 179.97 181.52 1vkc h HIS 40 N 0.59 0.31 -0.19 3.04 2.76 -0.42 -0.40 115.15 120.84 1vkc h HIS 40 Ca 0.02 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1vkc h HIS 40 Cb 1.06 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.89 1vkc h HIS 40 CO 0.08 0.17 -0.06 1.49 -1.30 0.00 0.00 177.93 178.31 1vkc h GLU 41 N 0.35 -0.02 -0.17 5.26 4.57 -1.13 -0.95 114.58 122.49 1vkc h GLU 41 Ca 0.13 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1vkc h GLU 41 Cb 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1vkc h GLU 41 CO -0.09 -0.01 -0.00 0.93 -1.18 0.00 0.00 179.01 178.66 1vkc h GLU 42 N -0.02 0.05 -0.38 1.92 5.08 -0.89 -1.39 114.58 118.96 1vkc h GLU 42 Ca 0.09 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1vkc h GLU 42 Cb 0.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1vkc h GLU 42 CO -0.20 0.03 0.01 1.25 -1.00 0.00 0.00 179.01 179.10 1vkc h LEU 43 N 0.05 0.65 -0.22 1.33 5.85 -1.00 -0.22 115.31 121.75 1vkc h LEU 43 Ca 0.08 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1vkc h LEU 43 Cb 0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1vkc h LEU 43 CO -0.14 0.79 0.14 0.15 -0.34 0.00 0.00 178.44 179.04 1vkc h PHE 44 N 0.49 0.29 -0.45 1.25 3.57 -0.96 0.24 116.94 121.36 1vkc h PHE 44 Ca 0.11 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1vkc h PHE 44 Cb 0.45 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1vkc h PHE 44 CO 0.04 0.21 -0.16 0.93 -2.23 0.00 0.00 178.31 177.09 1vkc h GLU 45 N 0.29 0.87 -0.14 1.11 4.39 -1.20 -1.57 114.58 118.33 1vkc h GLU 45 Ca 0.08 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.47 1vkc h GLU 45 Cb -0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1vkc h GLU 45 CO -0.02 0.97 -0.02 1.03 -1.16 0.00 0.00 179.01 179.82 1vkc h SER 46 N 0.77 -0.08 -0.54 1.42 0.87 -0.49 0.58 113.55 116.07 1vkc h SER 46 Ca 0.11 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1vkc h SER 46 Cb 0.69 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 1vkc h SER 46 CO 0.05 -0.02 0.16 -0.07 -0.53 0.00 0.00 176.83 176.41 1vkc h LEU 47 N 0.03 0.83 -0.88 2.23 3.38 -0.85 -2.75 115.31 117.30 1vkc h LEU 47 Ca 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1vkc h LEU 47 Cb 0.09 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1vkc h LEU 47 CO -0.12 0.80 -0.08 0.25 0.09 0.00 0.00 178.44 179.38 1vkc h LEU 48 N 0.86 0.00 -0.66 1.67 5.85 -0.47 -3.37 115.31 119.19 1vkc h LEU 48 Ca 0.19 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1vkc h LEU 48 Cb 0.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1vkc h LEU 48 CO -0.00 0.08 -0.36 0.77 -0.34 0.00 0.00 178.44 178.59 1vkc h SER 49 N 0.00 0.67 -3.76 1.25 4.64 -0.59 -3.44 113.55 112.31 1vkc h SER 49 Ca -0.00 -0.28 -0.68 0.00 -0.47 0.00 0.00 61.79 60.36 1vkc h SER 49 Cb 0.76 -0.19 -0.19 0.00 -0.31 0.00 0.00 62.40 62.47 1vkc h SER 49 CO 0.01 0.97 -0.80 -1.10 -0.87 0.00 0.00 176.83 175.03 1vkc s GLN 50 N -4.35 1.81 0.00 4.77 1.11 -1.26 -5.09 119.66 116.65 1vkc s GLN 50 Ca -0.08 -1.16 0.00 0.00 0.01 0.00 0.00 55.36 54.13 1vkc s GLN 50 Cb 0.12 -2.12 0.00 0.00 -1.01 0.00 0.00 33.01 30.01 1vkc s GLN 50 CO 0.83 0.49 0.00 0.41 0.01 0.00 0.00 175.29 177.03 1vkc n GLY 51 N 0.90 0.04 3.45 3.09 0.00 -1.26 -4.88 105.19 106.54 1vkc n GLY 51 Ca -0.16 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.49 1vkc n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vkc s GLU 52 N -1.22 3.09 0.11 1.61 -6.30 -1.26 -5.03 118.70 109.70 1vkc s GLU 52 Ca 0.00 -0.92 0.05 0.00 -2.50 0.00 0.00 54.97 51.60 1vkc s GLU 52 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 34.13 30.04 1vkc s GLU 52 CO 0.00 -1.03 0.00 -1.01 0.02 0.00 0.00 175.26 173.24 1vkc s HIS 53 N 2.24 2.96 -0.02 5.30 4.02 -1.26 -1.33 115.29 127.20 1vkc s HIS 53 Ca 0.12 -0.05 0.00 0.00 1.02 0.00 0.00 55.06 56.15 1vkc s HIS 53 Cb -0.19 -1.50 0.03 0.00 -1.02 0.00 0.00 32.58 29.89 1vkc s HIS 53 CO 0.12 0.49 0.02 0.21 1.02 0.00 0.00 174.74 176.60 1vkc s LYS 54 N -2.46 0.01 -0.12 1.40 2.47 -0.02 -5.00 119.74 116.02 1vkc s LYS 54 Ca 0.26 0.17 -0.02 0.00 -1.56 0.00 0.00 55.97 54.82 1vkc s LYS 54 Cb -0.11 -0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 35.96 1vkc s LYS 54 CO 0.18 -0.16 -0.06 -0.06 0.16 0.00 0.00 175.35 175.41 1vkc s PHE 55 N 1.02 2.96 -0.07 4.03 0.08 -1.26 -0.80 117.98 123.94 1vkc s PHE 55 Ca -0.09 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1vkc s PHE 55 Cb -0.13 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1vkc s PHE 55 CO -0.03 0.05 -0.10 -0.06 -0.10 0.00 0.00 175.22 174.98 1vkc s PHE 56 N -0.01 2.84 0.02 0.36 0.08 -0.63 -0.58 117.98 120.07 1vkc s PHE 56 Ca -0.00 -0.11 0.08 0.00 0.12 0.00 0.00 56.93 57.01 1vkc s PHE 56 Cb -0.14 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1vkc s PHE 56 CO 0.03 0.22 -0.23 0.14 -0.10 0.00 0.00 175.22 175.29 1vkc s VAL 57 N -0.64 1.80 -0.25 -0.44 -7.23 -0.23 -0.77 120.40 112.65 1vkc s VAL 57 Ca 0.10 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.98 1vkc s VAL 57 Cb -0.11 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1vkc s VAL 57 CO 0.01 0.35 0.35 0.00 -0.31 0.00 0.00 175.10 175.51 1vkc s ALA 58 N -0.69 3.57 0.05 1.32 0.00 -0.28 -1.30 121.76 124.44 1vkc s ALA 58 Ca 0.09 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.39 1vkc s ALA 58 Cb -0.09 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1vkc s ALA 58 CO 0.01 -0.49 -0.24 -0.51 0.00 0.00 0.00 175.76 174.52 1vkc s LEU 59 N 1.72 2.19 0.00 0.00 1.43 0.18 -0.46 118.68 123.74 1vkc s LEU 59 Ca 0.15 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1vkc s LEU 59 Cb -0.15 -1.14 0.12 0.00 0.03 0.00 0.00 46.19 45.06 1vkc s LEU 59 CO 0.09 0.20 0.76 -0.46 0.23 0.00 0.00 176.35 177.17 1vkc n ASN 60 N 1.70 0.24 0.07 2.29 0.23 -0.88 -0.94 115.26 117.96 1vkc n ASN 60 Ca -0.17 -1.38 0.09 0.00 -0.53 0.00 0.00 54.58 52.59 1vkc n ASN 60 Cb 0.53 -0.56 0.55 0.00 -2.08 0.00 0.00 39.78 38.21 1vkc n ASN 60 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1vkc h GLU 61 N 0.00 0.26 -0.16 -3.83 -0.00 -1.93 -0.21 114.58 108.72 1vkc h GLU 61 Ca -0.25 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1vkc h GLU 61 Cb 0.72 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.41 1vkc h GLU 61 CO 0.19 0.17 0.00 2.89 -0.00 0.00 0.00 179.01 182.27 1vkc n ARG 62 N -4.48 1.30 -1.71 1.06 -4.01 -1.26 -4.89 116.66 102.66 1vkc n ARG 62 Ca 0.03 -0.44 -0.19 0.00 -1.04 0.00 0.00 57.85 56.21 1vkc n ARG 62 Cb 0.21 -1.12 -0.07 0.00 -3.04 0.00 0.00 32.46 28.44 1vkc n ARG 62 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1vkc n SER 63 N -0.13 -5.33 -4.82 2.89 7.64 -0.09 -4.99 113.62 108.79 1vkc n SER 63 Ca 0.04 0.38 -0.33 0.00 1.01 0.00 0.00 58.87 59.96 1vkc n SER 63 Cb 0.11 -4.48 -0.07 0.00 -1.01 0.00 0.00 64.21 58.76 1vkc n SER 63 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1vkc s GLU 64 N -3.87 4.24 -0.32 1.43 2.02 -1.26 -4.77 118.70 116.16 1vkc s GLU 64 Ca 0.00 1.15 -0.27 0.00 0.02 0.00 0.00 54.97 55.87 1vkc s GLU 64 Cb 0.00 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 32.01 1vkc s GLU 64 CO 0.00 -0.02 0.99 -1.17 0.02 0.00 0.00 175.26 175.08 1vkc s LEU 65 N -3.09 3.98 -0.15 1.80 2.96 -1.26 -2.07 118.68 120.85 1vkc s LEU 65 Ca 0.61 0.91 0.17 0.00 -0.22 0.00 0.00 54.13 55.60 1vkc s LEU 65 Cb -0.10 -3.41 -0.25 0.00 0.50 0.00 0.00 46.19 42.94 1vkc s LEU 65 CO 0.14 -0.82 0.25 0.18 -1.32 0.00 0.00 176.35 174.78 1vkc n LEU 66 N 6.71 0.20 -3.90 -0.68 4.77 0.39 -4.84 117.00 119.65 1vkc n LEU 66 Ca 0.10 0.09 0.04 0.00 -0.03 0.00 0.00 56.01 56.21 1vkc n LEU 66 Cb 0.47 0.38 0.01 0.00 -2.33 0.00 0.00 43.42 41.95 1vkc n LEU 66 CO 0.57 0.43 1.18 -0.83 -1.33 0.00 0.00 177.39 177.40 1vkc s GLY 67 N -5.32 -0.27 0.13 -0.72 0.00 -1.18 -0.43 107.32 99.53 1vkc s GLY 67 Ca -0.09 0.33 -0.17 0.00 0.00 0.00 0.00 44.72 44.80 1vkc s GLY 67 CO 0.83 4.87 0.42 -2.38 0.00 0.00 0.00 173.10 176.85 1vkc s HIS 68 N -2.03 -0.22 -0.02 1.90 -3.43 0.07 -1.12 115.29 110.43 1vkc s HIS 68 Ca 0.27 -0.09 0.06 0.00 -0.80 0.00 0.00 55.06 54.50 1vkc s HIS 68 Cb 0.02 0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 31.44 1vkc s HIS 68 CO -0.03 -0.72 -0.19 0.54 -2.00 0.00 0.00 174.74 172.33 1vkc s VAL 69 N -3.80 1.55 -0.28 -5.38 0.11 0.05 -1.51 120.40 111.14 1vkc s VAL 69 Ca 0.03 -0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 58.24 1vkc s VAL 69 Cb 0.02 -1.30 0.04 0.00 -1.53 0.00 0.00 36.38 33.60 1vkc s VAL 69 CO -0.12 0.44 -0.02 0.86 -3.33 0.00 0.00 175.10 172.93 1vkc s TRP 70 N -0.33 3.17 -0.02 1.54 -0.00 -0.47 -1.60 118.94 121.23 1vkc s TRP 70 Ca 0.04 -1.67 0.02 0.00 -0.00 0.00 0.00 56.10 54.49 1vkc s TRP 70 Cb -0.09 -2.10 -0.03 0.00 -0.00 0.00 0.00 33.47 31.25 1vkc s TRP 70 CO 0.00 -0.76 -0.05 0.42 -0.00 0.00 0.00 176.95 176.56 1vkc s ILE 71 N 1.30 3.80 -0.08 5.86 1.01 0.02 -0.20 121.20 132.90 1vkc s ILE 71 Ca -0.02 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1vkc s ILE 71 Cb -0.18 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1vkc s ILE 71 CO -0.02 0.46 -0.05 0.00 0.00 0.00 0.00 174.94 175.33 1vkc s ILE 73 N 1.60 4.87 0.10 0.00 -1.09 -0.44 0.26 121.20 126.50 1vkc s ILE 73 Ca 0.01 2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 60.40 1vkc s ILE 73 Cb -0.13 -4.29 0.01 0.00 -1.58 0.00 0.00 42.46 36.47 1vkc s ILE 73 CO -0.05 0.15 0.17 1.07 -1.23 0.00 0.00 174.94 175.05 1vkc n THR 74 N 3.99 0.00 -3.88 2.92 5.66 -0.14 -4.13 114.28 118.70 1vkc n THR 74 Ca 0.06 -0.34 -0.37 0.00 -3.05 0.00 0.00 64.05 60.35 1vkc n THR 74 Cb 0.51 0.27 -0.06 0.00 -1.55 0.00 0.00 70.33 69.49 1vkc n THR 74 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1vkc s LEU 75 N 0.00 4.39 0.15 1.09 1.43 -1.26 -0.34 118.68 124.13 1vkc s LEU 75 Ca 0.05 0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 1vkc s LEU 75 Cb -0.01 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1vkc s LEU 75 CO 0.04 0.41 1.43 -0.62 0.23 0.00 0.00 176.35 177.84 1vkc s ASP 76 N -1.04 6.75 0.00 2.29 -1.08 -0.18 -4.89 116.67 118.52 1vkc s ASP 76 Ca 0.15 2.45 0.27 0.00 -0.52 0.00 0.00 52.55 54.90 1vkc s ASP 76 Cb -0.12 -2.59 1.30 0.00 -1.46 0.00 0.00 42.92 40.05 1vkc s ASP 76 CO 0.04 -0.69 1.91 0.35 0.52 0.00 0.00 175.17 177.30 1vkc n THR 77 N 3.66 0.13 -0.07 1.71 -2.24 -1.26 -1.00 114.28 115.20 1vkc n THR 77 Ca 0.11 0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.79 1vkc n THR 77 Cb 0.41 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 1vkc n THR 77 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1vkc n VAL 78 N -1.36 0.78 0.60 2.28 0.31 -1.26 -4.80 118.33 114.88 1vkc n VAL 78 Ca 0.11 -0.24 0.11 0.00 -0.01 0.00 0.00 64.34 64.31 1vkc n VAL 78 Cb 0.25 -1.41 0.05 0.00 -0.91 0.00 0.00 33.84 31.82 1vkc n VAL 78 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1vkc n ASP 79 N -3.35 0.63 -3.91 4.52 10.43 -1.24 -4.99 116.55 118.64 1vkc n ASP 79 Ca -0.26 -0.18 -0.29 0.00 2.57 0.00 0.00 54.79 56.63 1vkc n ASP 79 Cb 0.72 0.67 0.02 0.00 1.84 0.00 0.00 41.12 44.37 1vkc n ASP 79 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1vkc n TYR 80 N -1.95 -2.13 -4.44 1.24 4.02 -0.17 -4.95 117.16 108.79 1vkc n TYR 80 Ca 0.02 0.87 -0.23 0.00 -0.01 0.00 0.00 57.90 58.55 1vkc n TYR 80 Cb 0.43 -3.94 -0.10 0.00 -0.02 0.00 0.00 39.34 35.71 1vkc n TYR 80 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1vkc s VAL 81 N -3.42 2.32 0.23 -0.72 -7.23 -1.26 -4.86 120.40 105.46 1vkc s VAL 81 Ca 0.50 -2.33 -0.32 0.00 -1.81 0.00 0.00 61.98 58.03 1vkc s VAL 81 Cb -0.25 -2.23 -0.12 0.00 0.56 0.00 0.00 36.38 34.34 1vkc s VAL 81 CO 0.84 -0.41 1.69 1.17 -0.31 0.00 0.00 175.10 178.08 1vkc n LYS 82 N -0.48 2.74 -4.18 4.82 3.00 -1.26 -1.01 118.16 121.79 1vkc n LYS 82 Ca -0.06 0.99 -0.11 0.00 -0.00 0.00 0.00 58.31 59.12 1vkc n LYS 82 Cb 0.60 -2.82 -0.10 0.00 0.00 0.00 0.00 35.03 32.71 1vkc n LYS 82 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1vkc s ILE 83 N 0.89 0.40 -0.23 3.15 -4.36 0.53 -1.01 121.20 120.57 1vkc s ILE 83 Ca 0.73 -1.93 -0.04 0.00 -0.26 0.00 0.00 60.65 59.14 1vkc s ILE 83 Cb -0.51 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 1vkc s ILE 83 CO 0.36 -0.57 -0.02 0.00 0.24 0.00 0.00 174.94 174.96 1vkc s ALA 84 N -3.84 2.88 -0.21 2.27 0.00 -0.35 -0.96 121.76 121.54 1vkc s ALA 84 Ca 0.21 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1vkc s ALA 84 Cb 0.07 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1vkc s ALA 84 CO 0.01 -0.53 0.20 -0.47 0.00 0.00 0.00 175.76 174.98 1vkc s TYR 85 N 1.49 3.37 -0.36 0.00 6.14 0.14 -0.46 117.35 127.67 1vkc s TYR 85 Ca 0.05 0.36 -0.18 0.00 0.64 0.00 0.00 57.07 57.94 1vkc s TYR 85 Cb -0.15 -2.29 -0.00 0.00 0.42 0.00 0.00 41.96 39.95 1vkc s TYR 85 CO -0.02 0.14 0.53 0.42 0.64 0.00 0.00 175.55 177.26 1vkc s ILE 86 N 0.82 5.00 0.03 3.14 -1.09 0.48 -0.82 121.20 128.75 1vkc s ILE 86 Ca 0.11 0.33 -0.19 0.00 -2.23 0.00 0.00 60.65 58.66 1vkc s ILE 86 Cb -0.13 -3.99 -0.19 0.00 -1.58 0.00 0.00 42.46 36.58 1vkc s ILE 86 CO 0.03 -0.25 1.21 1.88 -1.23 0.00 0.00 174.94 176.58 1vkc h TYR 87 N 8.48 0.57 -2.74 3.97 0.99 -0.90 -3.41 116.97 123.94 1vkc h TYR 87 Ca -0.28 -0.25 0.09 0.00 2.00 0.00 0.00 58.73 60.30 1vkc h TYR 87 Cb 1.12 -0.09 -0.08 0.00 1.00 0.00 0.00 36.73 38.68 1vkc h TYR 87 CO 0.72 1.00 0.33 0.16 -0.00 0.00 0.00 178.16 180.37 1vkc s ASP 88 N -6.52 -0.29 -0.06 3.88 -4.77 -1.23 -4.95 116.67 102.73 1vkc s ASP 88 Ca -0.13 -0.40 -0.01 0.00 -3.30 0.00 0.00 52.55 48.71 1vkc s ASP 88 Cb 0.05 0.61 0.03 0.00 -1.09 0.00 0.00 42.92 42.51 1vkc s ASP 88 CO 0.80 -1.09 0.01 -0.63 0.70 0.00 0.00 175.17 174.96 1vkc s ILE 89 N -3.63 0.25 -0.01 2.11 1.01 -1.26 -1.36 121.20 118.31 1vkc s ILE 89 Ca 0.09 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1vkc s ILE 89 Cb -0.03 -0.41 -0.00 0.00 0.01 0.00 0.00 42.46 42.03 1vkc s ILE 89 CO 0.01 0.22 -0.05 -1.61 0.00 0.00 0.00 174.94 173.51 1vkc s GLU 90 N 1.77 0.46 -0.03 2.79 2.02 -0.57 -4.99 118.70 120.15 1vkc s GLU 90 Ca 0.01 -0.18 0.03 0.00 0.02 0.00 0.00 54.97 54.85 1vkc s GLU 90 Cb -0.13 -0.45 -0.00 0.00 0.10 0.00 0.00 34.13 33.65 1vkc s GLU 90 CO -0.04 0.10 -0.12 0.08 0.02 0.00 0.00 175.26 175.30 1vkc s VAL 91 N -0.04 1.03 0.49 2.63 1.01 -1.26 -0.75 120.40 123.51 1vkc s VAL 91 Ca 0.01 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 1vkc s VAL 91 Cb -0.03 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.38 1vkc s VAL 91 CO -0.00 0.31 1.42 1.33 0.00 0.00 0.00 175.10 178.15 1vkc n VAL 92 N 3.18 3.22 -0.24 2.92 0.24 0.43 -4.81 118.33 123.27 1vkc n VAL 92 Ca -0.18 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.65 1vkc n VAL 92 Cb 0.54 -1.79 0.27 0.00 -1.47 0.00 0.00 33.84 31.38 1vkc n VAL 92 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1vkc h LYS 93 N 1.97 0.94 0.00 7.34 2.10 -1.98 -0.34 116.57 126.60 1vkc h LYS 93 Ca -0.51 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 1vkc h LYS 93 Cb 1.28 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1vkc h LYS 93 CO 0.60 0.62 -0.02 -2.67 -2.00 0.00 0.00 179.45 175.97 1vkc n TRP 94 N -4.46 0.36 1.01 0.07 4.27 -1.26 -3.11 117.44 114.31 1vkc n TRP 94 Ca 0.11 0.10 0.11 0.00 -3.89 0.00 0.00 57.50 53.93 1vkc n TRP 94 Cb 0.14 -0.66 0.03 0.00 -1.36 0.00 0.00 31.31 29.45 1vkc n TRP 94 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1vkc n ALA 95 N -1.61 3.29 -1.76 -1.67 0.00 -0.16 -4.96 120.51 113.65 1vkc n ALA 95 Ca 0.06 -0.65 -0.36 0.00 0.00 0.00 0.00 53.44 52.49 1vkc n ALA 95 Cb 0.38 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 19.05 1vkc n ALA 95 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vkc s ARG 96 N -2.36 3.01 0.00 0.00 0.52 -1.08 -3.16 118.95 115.88 1vkc s ARG 96 Ca 0.21 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 1vkc s ARG 96 Cb 0.19 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1vkc s ARG 96 CO 0.51 -1.17 0.00 0.41 0.02 0.00 0.00 175.30 175.06 1vkc n GLY 97 N 0.48 0.96 0.85 -3.53 0.00 -1.26 -4.92 105.19 97.77 1vkc n GLY 97 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1vkc n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vkc n LEU 98 N 0.00 2.54 -0.28 0.99 4.32 -1.19 -4.94 117.00 118.44 1vkc n LEU 98 Ca 0.00 -1.09 -0.04 0.00 -0.02 0.00 0.00 56.01 54.86 1vkc n LEU 98 Cb 0.00 -0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 1vkc n LEU 98 CO 0.00 0.55 -0.04 0.61 -1.22 0.00 0.00 177.39 177.29 1vkc n GLY 99 N 1.31 0.63 0.25 -0.72 0.00 -1.26 -4.95 105.19 100.44 1vkc n GLY 99 Ca 0.17 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1vkc n GLY 99 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1vkc h ILE 100 N 0.00 1.25 -0.51 -0.61 2.04 -1.92 -1.91 117.51 115.85 1vkc h ILE 100 Ca -0.08 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1vkc h ILE 100 Cb 0.45 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1vkc h ILE 100 CO 0.11 0.32 0.32 1.23 0.00 0.00 0.00 178.15 180.13 1vkc h GLY 101 N 0.70 0.73 1.00 5.37 0.00 -1.94 -0.13 103.07 108.80 1vkc h GLY 101 Ca 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1vkc h GLY 101 CO 0.01 0.29 0.38 0.23 0.00 0.00 0.00 176.54 177.44 1vkc h SER 102 N 0.68 0.77 -0.71 0.19 0.87 -1.96 -1.27 113.55 112.12 1vkc h SER 102 Ca 0.18 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1vkc h SER 102 Cb -0.03 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 1vkc h SER 102 CO -0.04 0.61 0.20 0.00 -0.53 0.00 0.00 176.83 177.07 1vkc h ALA 103 N 1.19 0.99 -0.57 6.23 0.00 -0.89 -1.69 119.26 124.51 1vkc h ALA 103 Ca 0.23 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1vkc h ALA 103 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1vkc h ALA 103 CO -0.04 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 1vkc h LEU 104 N 1.07 0.97 -0.46 0.00 3.38 -0.78 -2.02 115.31 117.47 1vkc h LEU 104 Ca 0.23 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1vkc h LEU 104 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1vkc h LEU 104 CO -0.00 1.02 0.07 0.25 0.09 0.00 0.00 178.44 179.87 1vkc h LEU 105 N 0.91 0.73 -0.70 1.67 5.85 -0.97 -0.89 115.31 121.92 1vkc h LEU 105 Ca 0.17 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1vkc h LEU 105 Cb 0.53 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1vkc h LEU 105 CO 0.03 0.81 0.41 0.03 -0.34 0.00 0.00 178.44 179.38 1vkc h ARG 106 N 0.63 0.95 -0.33 1.25 2.47 -1.20 0.62 114.38 118.77 1vkc h ARG 106 Ca 0.14 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1vkc h ARG 106 Cb 0.39 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1vkc h ARG 106 CO 0.01 0.68 0.22 -0.22 0.56 0.00 0.00 179.97 181.22 1vkc h LYS 107 N 0.95 0.43 -0.39 0.04 1.63 -1.20 0.35 116.57 118.38 1vkc h LYS 107 Ca 0.25 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1vkc h LYS 107 Cb -0.02 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 1vkc h LYS 107 CO -0.05 0.28 0.26 0.00 -3.45 0.00 0.00 179.45 176.49 1vkc h ALA 108 N 1.12 0.50 -0.95 5.00 0.00 -0.82 -0.20 119.26 123.92 1vkc h ALA 108 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vkc h ALA 108 Cb -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1vkc h ALA 108 CO -0.03 -0.05 0.58 0.93 0.00 0.00 0.00 179.25 180.68 1vkc h GLU 109 N 0.52 1.28 -0.43 0.00 5.08 -0.48 0.59 114.58 121.15 1vkc h GLU 109 Ca 0.15 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1vkc h GLU 109 Cb -0.05 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 1vkc h GLU 109 CO -0.04 0.89 -0.08 0.93 -1.00 0.00 0.00 179.01 179.71 1vkc h GLU 110 N 1.30 0.82 -0.43 2.33 3.07 -0.64 -2.05 114.58 118.99 1vkc h GLU 110 Ca 0.34 -0.30 -0.07 0.00 -0.50 0.00 0.00 59.36 58.83 1vkc h GLU 110 Cb -0.07 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1vkc h GLU 110 CO -0.07 0.92 0.01 2.35 -1.40 0.00 0.00 179.01 180.82 1vkc h TRP 111 N 0.65 0.82 -0.49 4.33 7.01 -0.65 -2.03 115.95 125.59 1vkc h TRP 111 Ca 0.11 -0.14 0.09 0.00 2.11 0.00 0.00 58.89 61.06 1vkc h TRP 111 Cb 0.61 -0.22 -0.07 0.00 -2.10 0.00 0.00 29.16 27.38 1vkc h TRP 111 CO 0.05 0.81 0.05 0.00 -2.79 0.00 0.00 178.44 176.56 1vkc h ALA 112 N 0.90 0.51 -0.35 2.65 0.00 -0.84 -0.86 119.26 121.28 1vkc h ALA 112 Ca 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1vkc h ALA 112 Cb 0.48 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1vkc h ALA 112 CO 0.02 -0.35 0.15 -0.22 0.00 0.00 0.00 179.25 178.85 1vkc h LYS 113 N 0.18 0.52 -0.65 0.00 3.64 -1.20 -0.77 116.57 118.28 1vkc h LYS 113 Ca 0.25 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1vkc h LYS 113 Cb 0.35 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1vkc h LYS 113 CO -0.36 0.50 0.43 0.93 -2.27 0.00 0.00 179.45 178.68 1vkc h GLU 114 N 0.42 0.56 -0.01 1.90 5.08 -0.95 -0.11 114.58 121.47 1vkc h GLU 114 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1vkc h GLU 114 Cb 0.16 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1vkc h GLU 114 CO -0.01 0.37 0.00 0.54 -1.00 0.00 0.00 179.01 178.91 1vkc n ARG 115 N -4.48 1.20 -0.69 2.33 5.12 -0.36 -4.91 116.66 114.85 1vkc n ARG 115 Ca 0.10 -0.29 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 1vkc n ARG 115 Cb 0.29 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1vkc n ARG 115 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vkc n GLY 116 N 1.01 0.62 3.77 -0.13 0.00 -0.05 -5.05 105.19 105.36 1vkc n GLY 116 Ca 0.21 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1vkc n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vkc s ALA 117 N -2.00 3.05 -0.47 4.61 0.00 -0.34 -4.83 121.76 121.79 1vkc s ALA 117 Ca 0.00 1.12 0.22 0.00 0.00 0.00 0.00 51.96 53.29 1vkc s ALA 117 Cb 0.00 -3.45 -0.24 0.00 0.00 0.00 0.00 23.12 19.42 1vkc s ALA 117 CO 0.00 -0.85 0.72 1.63 0.00 0.00 0.00 175.76 177.26 1vkc n LYS 118 N -0.34 0.37 -3.79 0.00 4.76 -0.18 -4.58 118.16 114.40 1vkc n LYS 118 Ca 0.06 -0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 1vkc n LYS 118 Cb 0.46 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 32.04 1vkc n LYS 118 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1vkc s LYS 119 N -3.28 0.73 -0.13 1.97 1.02 -1.26 -5.06 119.74 113.73 1vkc s LYS 119 Ca -0.00 -0.46 -0.07 0.00 0.02 0.00 0.00 55.97 55.45 1vkc s LYS 119 Cb 0.15 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.73 1vkc s LYS 119 CO 0.88 -0.22 0.14 0.42 -0.92 0.00 0.00 175.35 175.65 1vkc s ILE 120 N -2.21 5.49 -0.01 2.17 1.09 -1.26 -1.22 121.20 125.25 1vkc s ILE 120 Ca -0.08 0.20 0.04 0.00 -1.10 0.00 0.00 60.65 59.72 1vkc s ILE 120 Cb -0.02 -3.41 -0.01 0.00 -1.06 0.00 0.00 42.46 37.96 1vkc s ILE 120 CO -0.01 0.59 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.60 1vkc s VAL 121 N -0.83 0.99 0.19 2.92 1.01 0.39 -4.94 120.40 120.13 1vkc s VAL 121 Ca 0.14 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1vkc s VAL 121 Cb -0.12 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1vkc s VAL 121 CO 0.03 0.27 0.48 -1.48 0.00 0.00 0.00 175.10 174.40 1vkc s LEU 122 N -0.33 0.26 -0.17 3.92 0.05 -1.26 -0.39 118.68 120.77 1vkc s LEU 122 Ca 0.05 -0.59 -0.06 0.00 0.05 0.00 0.00 54.13 53.58 1vkc s LEU 122 Cb -0.05 1.95 -0.04 0.00 -2.05 0.00 0.00 46.19 46.00 1vkc s LEU 122 CO -0.00 -1.03 0.05 -0.60 -0.55 0.00 0.00 176.35 174.21 1vkc s ARG 123 N -3.90 3.82 -0.06 1.48 3.52 -1.26 -5.04 118.95 117.51 1vkc s ARG 123 Ca 0.11 -0.35 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 1vkc s ARG 123 Cb -0.00 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1vkc s ARG 123 CO -0.01 0.35 -0.15 0.08 -0.81 0.00 0.00 175.30 174.76 1vkc s VAL 124 N 0.15 1.31 0.33 7.11 1.01 -1.26 -5.08 120.40 123.96 1vkc s VAL 124 Ca 0.04 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1vkc s VAL 124 Cb -0.12 -1.16 -0.10 0.00 0.00 0.00 0.00 36.38 35.00 1vkc s VAL 124 CO 0.01 0.39 1.35 -1.61 0.00 0.00 0.00 175.10 175.24 1vkc s GLU 125 N 0.40 4.31 0.43 2.72 0.41 -1.26 -4.90 118.70 120.81 1vkc s GLU 125 Ca -0.11 2.28 0.17 0.00 -0.41 0.00 0.00 54.97 56.90 1vkc s GLU 125 Cb -0.14 -3.06 0.98 0.00 -1.78 0.00 0.00 34.13 30.13 1vkc s GLU 125 CO 0.04 -0.27 1.93 0.97 -0.49 0.00 0.00 175.26 177.44 1vkc h ILE 126 N 3.10 1.02 -0.00 -1.63 2.10 -1.99 -1.23 117.51 118.87 1vkc h ILE 126 Ca -0.49 -0.92 0.00 0.00 1.08 0.00 0.00 64.86 64.53 1vkc h ILE 126 Cb 1.23 1.52 0.00 0.00 -1.09 0.00 0.00 36.82 38.48 1vkc h ILE 126 CO 0.67 0.25 -0.16 -0.90 -1.08 0.00 0.00 178.15 176.93 1vkc n ASP 127 N -4.00 0.28 -4.68 2.19 5.75 -1.26 -4.88 116.55 109.95 1vkc n ASP 127 Ca -0.02 -0.08 -0.43 0.00 -0.01 0.00 0.00 54.79 54.26 1vkc n ASP 127 Cb 0.33 -0.16 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 1vkc n ASP 127 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1vkc s ASN 128 N -2.80 7.21 0.31 -1.12 3.84 -0.47 -4.92 114.94 117.00 1vkc s ASN 128 Ca 0.19 1.49 0.22 0.00 0.21 0.00 0.00 52.86 54.97 1vkc s ASN 128 Cb 0.19 -2.55 1.15 0.00 -0.55 0.00 0.00 41.25 39.49 1vkc s ASN 128 CO 0.55 -0.50 1.67 -0.81 -2.79 0.00 0.00 177.10 175.22 1vkc n PRO 129 N 5.33 0.15 0.17 0.43 -0.04 -1.26 -2.20 135.00 137.57 1vkc n PRO 129 Ca 0.10 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 1vkc n PRO 129 Cb 0.48 -1.95 0.61 0.00 -0.04 0.00 0.00 33.50 32.60 1vkc n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vkc h ALA 130 N 2.04 1.00 -0.62 0.55 0.00 -1.92 -2.96 119.26 117.35 1vkc h ALA 130 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1vkc h ALA 130 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1vkc h ALA 130 CO 0.00 0.00 0.25 0.28 0.00 0.00 0.00 179.25 179.78 1vkc h VAL 131 N 0.00 0.79 -0.42 0.00 2.07 -1.75 -1.69 116.25 115.25 1vkc h VAL 131 Ca 0.00 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1vkc h VAL 131 Cb 0.07 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1vkc h VAL 131 CO 0.00 0.08 -0.05 0.50 0.02 0.00 0.00 177.57 178.12 1vkc h LYS 132 N 0.44 0.71 -0.47 1.57 3.64 -1.79 -1.28 116.57 119.39 1vkc h LYS 132 Ca 0.31 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1vkc h LYS 132 Cb 0.37 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1vkc h LYS 132 CO -0.29 0.76 0.29 2.35 -2.27 0.00 0.00 179.45 180.29 1vkc h TRP 133 N 0.66 0.54 -0.24 1.91 7.01 -1.48 -1.12 115.95 123.23 1vkc h TRP 133 Ca 0.12 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.06 1vkc h TRP 133 Cb 0.49 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 1vkc h TRP 133 CO 0.02 0.33 -0.17 1.88 -2.79 0.00 0.00 178.44 177.71 1vkc h TYR 134 N 0.58 0.64 -0.90 2.65 -1.99 -1.02 -2.88 116.97 114.06 1vkc h TYR 134 Ca 0.18 -0.17 0.12 0.00 2.00 0.00 0.00 58.73 60.86 1vkc h TYR 134 Cb -0.02 -0.14 -0.08 0.00 2.00 0.00 0.00 36.73 38.48 1vkc h TYR 134 CO -0.06 0.84 0.52 0.93 -0.00 0.00 0.00 178.16 180.40 1vkc h GLU 135 N 0.26 0.79 0.00 4.88 5.08 -1.12 0.12 114.58 124.59 1vkc h GLU 135 Ca 0.05 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1vkc h GLU 135 Cb 0.70 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1vkc h GLU 135 CO 0.05 0.52 -0.12 0.93 -1.00 0.00 0.00 179.01 179.39 1vkc h GLU 136 N 0.81 0.00 -0.60 2.33 5.08 -1.06 -2.09 114.58 119.05 1vkc h GLU 136 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1vkc h GLU 136 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1vkc h GLU 136 CO -0.29 0.12 0.00 0.54 -1.00 0.00 0.00 179.01 178.38 1vkc n ARG 137 N -4.03 2.79 -0.20 2.33 1.74 -0.08 -4.92 116.66 114.29 1vkc n ARG 137 Ca -0.02 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.90 1vkc n ARG 137 Cb 0.21 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1vkc n ARG 137 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vkc n GLY 138 N 1.15 0.83 3.76 -0.13 0.00 -0.79 -5.06 105.19 104.95 1vkc n GLY 138 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1vkc n GLY 138 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vkc s TYR 139 N -2.10 3.72 -0.02 1.61 1.51 -0.54 -4.99 117.35 116.55 1vkc s TYR 139 Ca 0.00 1.33 0.06 0.00 -1.01 0.00 0.00 57.07 57.45 1vkc s TYR 139 Cb 0.00 -2.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.13 1vkc s TYR 139 CO 0.00 0.33 -0.20 0.15 -1.11 0.00 0.00 175.55 174.72 1vkc s LYS 140 N -0.19 1.65 -0.01 -0.62 3.01 -1.26 -3.56 119.74 118.76 1vkc s LYS 140 Ca 0.34 -0.71 -0.30 0.00 -1.01 0.00 0.00 55.97 54.29 1vkc s LYS 140 Cb -0.19 -1.58 -0.06 0.00 -1.01 0.00 0.00 37.83 34.99 1vkc s LYS 140 CO 0.20 0.42 1.52 0.00 0.51 0.00 0.00 175.35 178.00 1vkc s ALA 141 N -0.43 3.62 -0.12 5.17 0.00 -1.26 -4.87 121.76 123.87 1vkc s ALA 141 Ca 0.07 0.94 0.13 0.00 0.00 0.00 0.00 51.96 53.10 1vkc s ALA 141 Cb -0.08 -3.67 -0.19 0.00 0.00 0.00 0.00 23.12 19.19 1vkc s ALA 141 CO -0.01 -1.13 0.10 -2.13 0.00 0.00 0.00 175.76 172.60 1vkc n ARG 142 N 6.06 1.47 -3.92 0.00 0.63 -1.26 -5.07 116.66 114.57 1vkc n ARG 142 Ca 0.15 -0.03 -0.10 0.00 -0.92 0.00 0.00 57.85 56.96 1vkc n ARG 142 Cb 0.43 -1.37 -0.06 0.00 0.45 0.00 0.00 32.46 31.91 1vkc n ARG 142 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vkc s ALA 143 N -2.47 -0.21 -0.02 5.13 0.00 -1.26 -5.16 121.76 117.77 1vkc s ALA 143 Ca -0.07 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1vkc s ALA 143 Cb 0.05 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 1vkc s ALA 143 CO 0.59 -0.71 -0.17 -0.51 0.00 0.00 0.00 175.76 174.97 1vkc s LEU 144 N -2.96 2.62 -0.36 0.00 1.43 -1.26 -5.09 118.68 113.06 1vkc s LEU 144 Ca 0.17 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 1vkc s LEU 144 Cb 0.02 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 1vkc s LEU 144 CO 0.01 0.32 0.39 -0.63 0.23 0.00 0.00 176.35 176.67 1vkc s ILE 145 N -0.76 5.14 -0.05 -0.59 -1.09 -1.26 -5.06 121.20 117.52 1vkc s ILE 145 Ca 0.12 -0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 1vkc s ILE 145 Cb -0.10 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 1vkc s ILE 145 CO 0.01 -0.19 0.13 -0.04 -1.23 0.00 0.00 174.94 173.62 1vkc s MET 146 N 2.07 3.32 0.02 2.79 -1.94 -1.26 -5.11 119.30 119.19 1vkc s MET 146 Ca 0.12 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 53.80 1vkc s MET 146 Cb -0.17 -3.05 -0.01 0.00 2.01 0.00 0.00 34.83 33.61 1vkc s MET 146 CO 0.12 0.70 -0.05 -1.21 -0.01 0.00 0.00 175.02 174.58 1vkc s GLU 147 N -1.55 0.36 -0.08 2.03 2.02 -1.26 -5.14 118.70 115.08 1vkc s GLU 147 Ca 0.22 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.81 1vkc s GLU 147 Cb -0.12 -0.21 0.02 0.00 0.10 0.00 0.00 34.13 33.92 1vkc s GLU 147 CO 0.12 0.04 -0.11 0.21 0.02 0.00 0.00 175.26 175.54 1vkc s LYS 148 N -0.80 1.71 0.36 1.61 2.20 -1.26 -5.14 119.74 118.43 1vkc s LYS 148 Ca -0.05 -0.39 -0.26 0.00 -0.36 0.00 0.00 55.97 54.91 1vkc s LYS 148 Cb -0.06 -1.49 -0.09 0.00 -1.51 0.00 0.00 37.83 34.69 1vkc s LYS 148 CO -0.00 -0.05 1.09 -1.25 -0.36 0.00 0.00 175.35 174.78 1vkc s PRO 149 N 0.92 4.29 0.00 4.03 0.04 -1.26 -5.37 135.00 137.65 1vkc s PRO 149 Ca -0.10 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1vkc s PRO 149 Cb -0.15 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1vkc s PRO 149 CO 0.01 -0.07 0.05 0.44 0.04 0.00 0.00 177.00 177.47