#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbg n GLU 2 N 0.00 0.00 -0.44 2.89 1.02 -1.26 -4.57 120.64 118.28 2kbg n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kbg n GLU 2 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 2kbg n GLU 2 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kbg n PRO 3 N 1.35 2.65 -3.57 3.49 -0.04 -1.25 -4.05 135.00 133.58 2kbg n PRO 3 Ca 0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2kbg n PRO 3 Cb 0.05 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.45 2kbg n PRO 3 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2kbg s SER 4 N -0.58 -0.43 0.88 3.54 1.04 -1.26 -4.69 113.70 112.20 2kbg s SER 4 Ca 0.00 0.48 -0.19 0.00 0.48 0.00 0.00 55.95 56.72 2kbg s SER 4 Cb 0.00 0.37 -0.15 0.00 0.10 0.00 0.00 66.02 66.34 2kbg s SER 4 CO 0.00 -0.39 -1.00 -2.65 0.98 0.00 0.00 173.24 170.17 2kbg n PRO 5 N 0.81 0.00 -0.94 4.02 -0.02 -1.26 -4.82 135.00 132.79 2kbg n PRO 5 Ca -0.12 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.01 2kbg n PRO 5 Cb 0.58 -0.88 0.03 0.00 -0.02 0.00 0.00 33.50 33.21 2kbg n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kbg n PRO 6 N 2.20 0.00 -1.72 0.52 -0.02 -1.26 -4.97 135.00 129.75 2kbg n PRO 6 Ca -0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.44 2kbg n PRO 6 Cb 0.57 -0.94 0.01 0.00 -0.02 0.00 0.00 33.50 33.12 2kbg n PRO 6 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kbg n SER 7 N 3.28 -0.38 -4.39 2.55 7.64 -1.26 -5.07 113.62 115.99 2kbg n SER 7 Ca -0.02 -2.05 -0.36 0.00 1.01 0.00 0.00 58.87 57.45 2kbg n SER 7 Cb 0.59 0.17 -0.13 0.00 -1.01 0.00 0.00 64.21 63.83 2kbg n SER 7 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kbg s ILE 8 N -0.42 3.92 -0.23 0.44 -1.09 -1.26 -0.69 121.20 121.88 2kbg s ILE 8 Ca 0.13 -0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.23 2kbg s ILE 8 Cb 0.23 -2.81 0.02 0.00 -1.58 0.00 0.00 42.46 38.32 2kbg s ILE 8 CO -0.07 0.38 -0.10 -1.00 -1.23 0.00 0.00 174.94 172.92 2kbg s HIS 9 N 1.50 2.99 0.16 3.97 3.76 -0.98 -4.92 115.29 121.77 2kbg s HIS 9 Ca 0.06 -1.53 -0.05 0.00 -0.15 0.00 0.00 55.06 53.38 2kbg s HIS 9 Cb -0.15 -2.02 -0.06 0.00 1.11 0.00 0.00 32.58 31.47 2kbg s HIS 9 CO 0.01 -0.73 0.39 0.20 -0.85 0.00 0.00 174.74 173.76 2kbg s GLY 10 N 1.32 2.20 -0.24 -2.22 0.00 -1.25 -0.25 107.32 106.87 2kbg s GLY 10 Ca 0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 2kbg s GLY 10 CO -0.07 -0.48 0.45 1.20 0.00 0.00 0.00 173.10 174.20 2kbg s GLN 11 N -2.74 0.39 -0.73 2.90 -0.21 -1.04 -4.93 119.66 113.31 2kbg s GLN 11 Ca 0.41 0.82 -0.15 0.00 0.02 0.00 0.00 55.36 56.46 2kbg s GLN 11 Cb -0.12 0.02 -0.19 0.00 1.00 0.00 0.00 33.01 33.72 2kbg s GLN 11 CO 0.25 -0.50 1.94 -2.30 -2.12 0.00 0.00 175.29 172.56 2kbg n PRO 12 N 5.39 0.17 0.00 2.91 -0.02 -1.26 -2.17 135.00 140.02 2kbg n PRO 12 Ca -0.05 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 2kbg n PRO 12 Cb 0.50 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2kbg n PRO 12 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kbg n SER 13 N 11.81 0.00 -3.93 2.55 2.88 -1.11 -4.88 113.62 120.93 2kbg n SER 13 Ca 0.41 0.10 -0.15 0.00 -1.33 0.00 0.00 58.87 57.90 2kbg n SER 13 Cb 0.37 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.69 2kbg n SER 13 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kbg s SER 14 N -2.30 0.43 1.85 -3.46 0.01 -1.26 -5.03 113.70 103.94 2kbg s SER 14 Ca 0.00 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2kbg s SER 14 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2kbg s SER 14 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2kbg n GLY 15 N 2.94 3.32 0.67 3.44 0.00 -1.26 -1.62 105.19 112.68 2kbg n GLY 15 Ca -0.13 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.87 2kbg n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kbg n LYS 16 N 13.70 1.64 -2.11 1.61 5.02 -1.26 -4.96 118.16 131.79 2kbg n LYS 16 Ca 0.00 -1.34 -0.36 0.00 -2.02 0.00 0.00 58.31 54.59 2kbg n LYS 16 Cb 0.00 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 2kbg n LYS 16 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2kbg s SER 17 N -2.28 5.51 -0.04 4.39 1.04 -0.64 -4.21 113.70 117.47 2kbg s SER 17 Ca 0.23 2.34 0.03 0.00 0.48 0.00 0.00 55.95 59.03 2kbg s SER 17 Cb 0.19 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2kbg s SER 17 CO 0.46 -1.37 -0.13 0.12 0.98 0.00 0.00 173.24 173.30 2kbg s PHE 18 N -1.62 1.33 -0.71 5.02 5.36 -1.17 -2.75 117.98 123.44 2kbg s PHE 18 Ca 0.74 -0.37 -0.17 0.00 -0.96 0.00 0.00 56.93 56.17 2kbg s PHE 18 Cb -0.29 -0.92 0.15 0.00 -0.34 0.00 0.00 43.02 41.62 2kbg s PHE 18 CO 0.32 -0.14 0.76 0.21 -1.46 0.00 0.00 175.22 174.92 2kbg s LYS 19 N 0.13 3.31 -0.85 10.12 2.20 -0.92 -2.89 119.74 130.84 2kbg s LYS 19 Ca -0.04 -1.82 -0.19 0.00 -0.36 0.00 0.00 55.97 53.56 2kbg s LYS 19 Cb -0.10 -4.43 0.13 0.00 -1.51 0.00 0.00 37.83 31.91 2kbg s LYS 19 CO 0.01 -1.47 1.03 -0.51 -0.36 0.00 0.00 175.35 174.06 2kbg s LEU 20 N 1.71 5.17 -0.03 5.43 1.43 -1.03 -2.49 118.68 128.87 2kbg s LEU 20 Ca 0.16 -1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 51.05 2kbg s LEU 20 Cb -0.17 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2kbg s LEU 20 CO -0.02 -1.07 1.52 -0.44 0.23 0.00 0.00 176.35 176.57 2kbg s SER 21 N 3.49 6.75 -0.40 2.29 0.01 0.65 -3.41 113.70 123.09 2kbg s SER 21 Ca 0.28 2.17 -0.25 0.00 1.31 0.00 0.00 55.95 59.46 2kbg s SER 21 Cb -0.09 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.61 2kbg s SER 21 CO -0.05 -0.83 0.86 -0.63 0.41 0.00 0.00 173.24 173.00 2kbg s ILE 22 N 3.18 4.61 -0.30 1.44 -1.09 -0.79 -2.31 121.20 125.94 2kbg s ILE 22 Ca 0.68 0.87 -0.19 0.00 -2.23 0.00 0.00 60.65 59.78 2kbg s ILE 22 Cb -0.32 -4.32 -0.01 0.00 -1.58 0.00 0.00 42.46 36.22 2kbg s ILE 22 CO 0.27 -0.61 0.57 -0.89 -1.23 0.00 0.00 174.94 173.05 2kbg s THR 23 N 3.41 5.00 -0.69 2.92 2.01 0.14 -4.57 115.64 123.86 2kbg s THR 23 Ca 0.35 0.76 -0.37 0.00 0.31 0.00 0.00 61.69 62.74 2kbg s THR 23 Cb -0.12 -3.93 -0.19 0.00 0.01 0.00 0.00 72.50 68.26 2kbg s THR 23 CO 0.21 -0.08 2.29 2.29 -0.69 0.00 0.00 174.62 178.63 2kbg n LYS 24 N 5.74 0.00 -2.93 4.92 2.85 -1.26 -4.79 118.16 122.69 2kbg n LYS 24 Ca -0.03 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.95 2kbg n LYS 24 Cb 0.49 -1.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.42 2kbg n LYS 24 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2kbg s GLN 25 N 7.00 3.61 -0.52 -1.58 -0.21 -1.26 -4.93 119.66 121.78 2kbg s GLN 25 Ca 1.22 0.16 -0.34 0.00 0.02 0.00 0.00 55.36 56.41 2kbg s GLN 25 Cb -1.34 -2.47 -0.14 0.00 1.00 0.00 0.00 33.01 30.06 2kbg s GLN 25 CO 0.56 -0.03 2.32 -3.47 -2.12 0.00 0.00 175.29 172.55 2kbg n ASP 26 N -1.69 1.61 -4.73 5.90 -0.08 -1.26 -4.80 116.55 111.50 2kbg n ASP 26 Ca -0.00 0.27 -0.40 0.00 -1.51 0.00 0.00 54.79 53.14 2kbg n ASP 26 Cb 0.55 -1.19 0.02 0.00 2.34 0.00 0.00 41.12 42.83 2kbg n ASP 26 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kbg n ASP 27 N 10.55 2.89 0.30 1.67 8.00 -1.26 -3.97 116.55 134.73 2kbg n ASP 27 Ca 0.47 1.11 0.15 0.00 0.71 0.00 0.00 54.79 57.23 2kbg n ASP 27 Cb 0.20 -1.55 0.74 0.00 -0.02 0.00 0.00 41.12 40.49 2kbg n ASP 27 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2kbg h GLY 28 N 2.16 0.00 0.00 0.44 0.00 -1.81 -3.41 103.07 100.46 2kbg h GLY 28 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kbg h GLY 28 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2kbg n GLY 29 N -1.28 -0.47 3.31 4.60 0.00 -1.26 -4.30 105.19 105.80 2kbg n GLY 29 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2kbg n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbg s ALA 30 N 0.00 -1.04 0.23 4.61 0.00 -1.26 -5.03 121.76 119.27 2kbg s ALA 30 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 2kbg s ALA 30 Cb 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 23.12 2kbg s ALA 30 CO 0.00 -0.32 1.52 -1.25 0.00 0.00 0.00 175.76 175.72 2kbg s PRO 31 N -1.48 4.22 0.02 0.00 0.04 -1.26 -4.62 135.00 131.92 2kbg s PRO 31 Ca -0.12 2.39 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2kbg s PRO 31 Cb -0.03 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2kbg s PRO 31 CO 0.05 -0.53 1.03 0.42 0.04 0.00 0.00 177.00 178.00 2kbg s ILE 32 N 0.39 4.65 -0.06 0.56 1.01 -1.26 -4.35 121.20 122.14 2kbg s ILE 32 Ca 0.64 1.92 -0.21 0.00 0.00 0.00 0.00 60.65 62.99 2kbg s ILE 32 Cb -0.44 -4.23 -0.31 0.00 0.01 0.00 0.00 42.46 37.50 2kbg s ILE 32 CO 0.40 0.16 0.83 -0.07 0.00 0.00 0.00 174.94 176.26 2kbg h LEU 33 N 6.73 0.44 -8.26 2.97 4.07 -1.72 -3.37 115.31 116.16 2kbg h LEU 33 Ca -0.41 -0.94 -0.15 0.00 0.08 0.00 0.00 57.88 56.47 2kbg h LEU 33 Cb 1.22 -0.14 -0.14 0.00 1.08 0.00 0.00 40.66 42.67 2kbg h LEU 33 CO 0.76 1.41 -0.56 -1.61 -1.08 0.00 0.00 178.44 177.36 2kbg s GLU 34 N -2.43 0.90 -0.25 1.13 8.01 -1.25 -0.71 118.70 124.11 2kbg s GLU 34 Ca -0.15 -1.30 -0.00 0.00 0.01 0.00 0.00 54.97 53.53 2kbg s GLU 34 Cb 0.01 0.27 0.04 0.00 -4.31 0.00 0.00 34.13 30.14 2kbg s GLU 34 CO 0.81 -0.26 -0.08 0.71 0.01 0.00 0.00 175.26 176.45 2kbg s TYR 35 N -3.99 3.11 -0.45 1.61 1.51 0.12 -1.54 117.35 117.71 2kbg s TYR 35 Ca 0.17 -1.78 -0.24 0.00 -1.01 0.00 0.00 57.07 54.22 2kbg s TYR 35 Cb 0.06 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2kbg s TYR 35 CO -0.02 -0.78 0.81 0.42 -1.11 0.00 0.00 175.55 174.87 2kbg s ILE 36 N 1.26 4.61 -0.13 2.71 1.01 0.13 -1.05 121.20 129.76 2kbg s ILE 36 Ca -0.02 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.11 2kbg s ILE 36 Cb -0.17 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 2kbg s ILE 36 CO -0.05 -0.75 -0.13 -0.69 0.00 0.00 0.00 174.94 173.32 2kbg s VAL 37 N 3.38 3.05 -0.06 2.92 1.01 0.17 -0.17 120.40 130.70 2kbg s VAL 37 Ca 0.31 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2kbg s VAL 37 Cb -0.12 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2kbg s VAL 37 CO 0.23 0.53 -0.17 -0.54 0.00 0.00 0.00 175.10 175.15 2kbg s LYS 38 N 0.29 1.93 0.03 2.72 1.02 0.05 0.14 119.74 125.92 2kbg s LYS 38 Ca -0.10 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.30 2kbg s LYS 38 Cb -0.16 -1.62 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 2kbg s LYS 38 CO 0.05 0.18 -0.05 1.52 -0.92 0.00 0.00 175.35 176.14 2kbg s TYR 39 N 0.23 0.43 0.28 3.18 1.13 -0.40 0.15 117.35 122.35 2kbg s TYR 39 Ca -0.08 -0.55 -0.01 0.00 -1.41 0.00 0.00 57.07 55.02 2kbg s TYR 39 Cb -0.13 -0.28 -0.02 0.00 -1.10 0.00 0.00 41.96 40.42 2kbg s TYR 39 CO 0.03 -0.16 0.31 -0.98 -2.51 0.00 0.00 175.55 172.24 2kbg s ARG 40 N -1.68 1.59 0.20 -3.49 1.70 -0.93 -1.21 118.95 115.13 2kbg s ARG 40 Ca -0.12 -1.72 -0.22 0.00 -0.47 0.00 0.00 55.73 53.20 2kbg s ARG 40 Cb -0.09 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.57 2kbg s ARG 40 CO -0.01 -0.60 0.75 -1.12 -1.08 0.00 0.00 175.30 173.24 2kbg s SER 41 N -3.22 7.20 0.32 -2.89 0.01 -1.26 -0.97 113.70 112.89 2kbg s SER 41 Ca 0.35 1.52 0.02 0.00 1.31 0.00 0.00 55.95 59.15 2kbg s SER 41 Cb 0.03 -2.45 0.54 0.00 0.21 0.00 0.00 66.02 64.35 2kbg s SER 41 CO 0.18 0.11 1.88 0.11 0.41 0.00 0.00 173.24 175.93 2kbg h LYS 42 N 3.80 0.66 0.00 12.44 1.57 -1.29 -1.69 116.57 132.07 2kbg h LYS 42 Ca -0.48 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2kbg h LYS 42 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2kbg h LYS 42 CO 0.65 0.61 0.00 -3.47 -0.57 0.00 0.00 179.45 176.68 2kbg n ASP 43 N -4.30 0.08 -4.31 0.86 2.03 -1.26 -4.78 116.55 104.87 2kbg n ASP 43 Ca 0.03 0.51 -0.21 0.00 0.52 0.00 0.00 54.79 55.64 2kbg n ASP 43 Cb 0.21 -0.53 -0.11 0.00 -0.72 0.00 0.00 41.12 39.96 2kbg n ASP 43 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kbg s LYS 44 N -3.02 1.21 0.00 -0.67 -0.14 -0.64 -5.03 119.74 111.45 2kbg s LYS 44 Ca 0.10 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.37 2kbg s LYS 44 Cb 0.14 -1.24 0.00 0.00 -1.68 0.00 0.00 37.83 35.05 2kbg s LYS 44 CO 0.42 0.25 0.79 -0.85 -0.76 0.00 0.00 175.35 175.20 2kbg n GLU 45 N 0.42 0.00 -0.03 1.68 0.28 -1.26 -4.34 120.64 117.38 2kbg n GLU 45 Ca -0.14 -0.58 0.12 0.00 -0.16 0.00 0.00 57.16 56.40 2kbg n GLU 45 Cb 0.57 -0.29 0.27 0.00 1.43 0.00 0.00 31.44 33.41 2kbg n GLU 45 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kbg n ASP 46 N 0.00 2.47 -3.44 -1.84 2.03 -1.26 -4.97 116.55 109.54 2kbg n ASP 46 Ca 0.00 -1.82 -0.13 0.00 0.52 0.00 0.00 54.79 53.36 2kbg n ASP 46 Cb 0.62 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 2kbg n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbg s GLN 47 N -1.92 1.23 -0.23 -0.67 -2.07 -1.26 -5.14 119.66 109.61 2kbg s GLN 47 Ca 0.33 -0.33 -0.03 0.00 -1.82 0.00 0.00 55.36 53.50 2kbg s GLN 47 Cb 0.20 0.57 0.08 0.00 -1.09 0.00 0.00 33.01 32.77 2kbg s GLN 47 CO 0.31 -0.51 0.08 -1.58 -1.32 0.00 0.00 175.29 172.26 2kbg s TRP 48 N -3.26 0.81 0.47 9.60 0.52 -1.26 -4.71 118.94 121.11 2kbg s TRP 48 Ca -0.01 -0.90 -0.23 0.00 0.02 0.00 0.00 56.10 54.98 2kbg s TRP 48 Cb -0.01 -1.05 -0.07 0.00 -1.15 0.00 0.00 33.47 31.19 2kbg s TRP 48 CO -0.09 -0.68 1.22 -0.51 0.02 0.00 0.00 176.95 176.91 2kbg s LEU 49 N 1.93 4.02 0.12 2.99 1.43 -0.35 -4.82 118.68 124.00 2kbg s LEU 49 Ca 0.04 2.44 0.05 0.00 -1.03 0.00 0.00 54.13 55.62 2kbg s LEU 49 Cb -0.17 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 2kbg s LEU 49 CO -0.17 -1.02 0.04 -1.61 0.23 0.00 0.00 176.35 173.82 2kbg s GLU 50 N -2.65 2.66 -0.22 1.70 2.02 -1.26 -1.27 118.70 119.68 2kbg s GLU 50 Ca 0.64 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 2kbg s GLU 50 Cb -0.32 -2.57 0.11 0.00 0.10 0.00 0.00 34.13 31.45 2kbg s GLU 50 CO 0.39 0.52 0.36 0.21 0.02 0.00 0.00 175.26 176.76 2kbg s LYS 51 N -2.61 0.31 -0.08 1.61 2.47 0.37 -4.95 119.74 116.87 2kbg s LYS 51 Ca 0.28 0.64 -0.10 0.00 -1.56 0.00 0.00 55.97 55.24 2kbg s LYS 51 Cb -0.11 -0.31 -0.05 0.00 -1.46 0.00 0.00 37.83 35.91 2kbg s LYS 51 CO 0.20 -0.52 0.23 0.15 0.16 0.00 0.00 175.35 175.57 2kbg s LYS 52 N 2.53 3.61 0.10 4.03 -0.14 -1.26 0.42 119.74 129.03 2kbg s LYS 52 Ca 0.08 0.05 0.02 0.00 -1.36 0.00 0.00 55.97 54.75 2kbg s LYS 52 Cb -0.14 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 2kbg s LYS 52 CO -0.14 0.74 -0.06 0.08 -0.76 0.00 0.00 175.35 175.21 2kbg s VAL 53 N -1.02 0.69 0.30 3.17 1.01 -0.21 -4.95 120.40 119.38 2kbg s VAL 53 Ca 0.18 -1.94 -0.28 0.00 0.00 0.00 0.00 61.98 59.94 2kbg s VAL 53 Cb -0.14 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.43 2kbg s VAL 53 CO 0.07 -0.84 0.98 -1.58 0.00 0.00 0.00 175.10 173.73 2kbg s GLN 54 N -3.84 4.63 0.00 2.72 2.00 -1.26 0.13 119.66 124.04 2kbg s GLN 54 Ca 0.13 1.47 0.09 0.00 -2.00 0.00 0.00 55.36 55.04 2kbg s GLN 54 Cb 0.05 -2.98 0.47 0.00 0.80 0.00 0.00 33.01 31.36 2kbg s GLN 54 CO -0.04 0.30 1.09 0.41 -0.50 0.00 0.00 175.29 176.55 2kbg n GLY 55 N 0.92 -0.47 0.01 2.59 0.00 0.12 -1.53 105.19 106.83 2kbg n GLY 55 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2kbg n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbg n ASN 56 N -1.19 2.56 0.15 1.61 5.03 -1.26 -4.64 115.26 117.52 2kbg n ASN 56 Ca 0.05 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.36 2kbg n ASN 56 Cb 0.06 1.39 -0.08 0.00 -1.02 0.00 0.00 39.78 40.12 2kbg n ASN 56 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2kbg h LYS 57 N 0.00 -0.30 -6.05 3.52 1.57 -1.66 -3.47 116.57 110.18 2kbg h LYS 57 Ca -0.04 0.02 -0.43 0.00 -1.87 0.00 0.00 60.65 58.33 2kbg h LYS 57 Cb 0.64 0.07 0.06 0.00 0.08 0.00 0.00 32.23 33.08 2kbg h LYS 57 CO 0.00 -0.14 -0.73 -0.25 -0.57 0.00 0.00 179.45 177.76 2kbg n ASP 58 N -5.19 -4.94 -3.63 0.86 8.00 -1.23 -4.95 116.55 105.46 2kbg n ASP 58 Ca -0.09 -0.67 -0.04 0.00 0.71 0.00 0.00 54.79 54.70 2kbg n ASP 58 Cb 0.17 -4.46 -0.04 0.00 -0.02 0.00 0.00 41.12 36.77 2kbg n ASP 58 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2kbg s HIS 59 N -3.35 -0.10 -0.11 1.24 -3.43 -1.26 -1.88 115.29 106.39 2kbg s HIS 59 Ca 0.53 0.17 -0.11 0.00 -0.80 0.00 0.00 55.06 54.85 2kbg s HIS 59 Cb -0.25 0.49 0.03 0.00 -1.43 0.00 0.00 32.58 31.42 2kbg s HIS 59 CO 0.78 -0.10 0.32 0.96 -2.00 0.00 0.00 174.74 174.70 2kbg s ILE 60 N -1.08 0.00 -0.39 -5.38 -4.36 -1.22 -4.92 121.20 103.86 2kbg s ILE 60 Ca 0.07 -0.03 -0.05 0.00 -0.26 0.00 0.00 60.65 60.38 2kbg s ILE 60 Cb -0.01 -0.47 0.09 0.00 1.25 0.00 0.00 42.46 43.32 2kbg s ILE 60 CO -0.06 -0.02 0.17 -0.63 0.24 0.00 0.00 174.94 174.64 2kbg s ILE 61 N 0.07 3.52 -0.48 8.37 -1.09 -1.26 -2.45 121.20 127.87 2kbg s ILE 61 Ca -0.01 -1.68 -0.20 0.00 -2.23 0.00 0.00 60.65 56.53 2kbg s ILE 61 Cb -0.02 -3.23 0.04 0.00 -1.58 0.00 0.00 42.46 37.66 2kbg s ILE 61 CO 0.01 -0.49 0.66 -0.76 -1.23 0.00 0.00 174.94 173.12 2kbg s LEU 62 N 1.26 4.68 0.67 2.97 1.02 -1.14 -4.92 118.68 123.22 2kbg s LEU 62 Ca 0.03 -0.61 -0.04 0.00 0.02 0.00 0.00 54.13 53.53 2kbg s LEU 62 Cb -0.22 -2.59 0.06 0.00 0.02 0.00 0.00 46.19 43.46 2kbg s LEU 62 CO -0.01 -0.87 0.95 -1.61 0.02 0.00 0.00 176.35 174.83 2kbg s GLU 63 N 2.82 2.19 -0.83 1.70 2.02 -1.26 -3.04 118.70 122.30 2kbg s GLU 63 Ca 0.20 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.66 2kbg s GLU 63 Cb -0.16 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.79 2kbg s GLU 63 CO 0.16 -1.14 0.70 0.72 0.02 0.00 0.00 175.26 175.71 2kbg n HIS 64 N -2.76 -1.56 -3.53 1.61 8.25 -1.26 -4.96 115.22 111.01 2kbg n HIS 64 Ca 0.09 0.64 -0.19 0.00 -0.26 0.00 0.00 57.72 58.00 2kbg n HIS 64 Cb 0.60 -4.01 -0.01 0.00 1.12 0.00 0.00 29.99 27.70 2kbg n HIS 64 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kbg s LEU 65 N -4.99 4.00 0.03 2.41 1.43 -1.26 -5.08 118.68 115.22 2kbg s LEU 65 Ca 0.07 -0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2kbg s LEU 65 Cb -0.03 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2kbg s LEU 65 CO 0.49 -0.39 -0.26 -1.58 0.23 0.00 0.00 176.35 174.83 2kbg s GLN 66 N -4.15 1.89 0.27 1.70 0.74 -1.26 -4.79 119.66 114.07 2kbg s GLN 66 Ca 0.44 -1.06 0.03 0.00 0.05 0.00 0.00 55.36 54.82 2kbg s GLN 66 Cb -0.09 -2.00 0.37 0.00 1.10 0.00 0.00 33.01 32.39 2kbg s GLN 66 CO 0.31 0.53 1.67 -1.49 -0.55 0.00 0.00 175.29 175.75 2kbg h TRP 67 N 4.99 0.44 -0.54 1.67 4.06 -1.88 -3.20 115.95 121.49 2kbg h TRP 67 Ca -0.45 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.38 2kbg h TRP 67 Cb 1.14 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.20 2kbg h TRP 67 CO 0.45 0.71 0.00 0.25 -3.56 0.00 0.00 178.44 176.30 2kbg n THR 68 N -4.04 2.33 -3.78 1.49 -2.24 -1.26 -3.65 114.28 103.13 2kbg n THR 68 Ca -0.01 -1.41 -0.13 0.00 -2.27 0.00 0.00 64.05 60.23 2kbg n THR 68 Cb 0.48 -0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 2kbg n THR 68 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2kbg s MET 69 N -2.42 0.11 0.54 -0.78 -1.94 -1.21 -5.03 119.30 108.57 2kbg s MET 69 Ca 0.50 0.29 -0.02 0.00 -1.71 0.00 0.00 55.69 54.75 2kbg s MET 69 Cb 0.37 -0.08 0.02 0.00 2.01 0.00 0.00 34.83 37.14 2kbg s MET 69 CO 0.18 -0.10 0.80 0.20 -0.01 0.00 0.00 175.02 176.08 2kbg s GLY 70 N 0.72 1.65 -0.05 -0.03 0.00 -1.26 -3.87 107.32 104.48 2kbg s GLY 70 Ca -0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 2kbg s GLY 70 CO -0.03 -0.75 0.12 -0.19 0.00 0.00 0.00 173.10 172.25 2kbg s TYR 71 N -2.80 -0.12 0.30 1.90 1.51 -1.22 -0.74 117.35 116.18 2kbg s TYR 71 Ca 0.53 0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 56.87 2kbg s TYR 71 Cb -0.10 -0.09 -0.07 0.00 -0.11 0.00 0.00 41.96 41.58 2kbg s TYR 71 CO 0.41 -0.14 0.66 -1.21 -1.11 0.00 0.00 175.55 174.16 2kbg s GLU 72 N 0.97 3.85 -0.04 -0.62 2.02 -0.14 -3.76 118.70 120.97 2kbg s GLU 72 Ca -0.08 0.42 0.02 0.00 0.02 0.00 0.00 54.97 55.35 2kbg s GLU 72 Cb -0.10 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.62 2kbg s GLU 72 CO -0.04 0.18 -0.07 0.08 0.02 0.00 0.00 175.26 175.42 2kbg s VAL 73 N -2.02 0.73 -0.26 2.63 1.01 0.94 -2.19 120.40 121.26 2kbg s VAL 73 Ca 0.50 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2kbg s VAL 73 Cb -0.11 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.64 2kbg s VAL 73 CO 0.23 0.26 -0.04 -1.58 0.00 0.00 0.00 175.10 173.96 2kbg s GLN 74 N 0.62 1.66 -0.04 2.72 2.00 0.12 0.10 119.66 126.84 2kbg s GLN 74 Ca -0.10 -1.17 -0.19 0.00 -2.00 0.00 0.00 55.36 51.90 2kbg s GLN 74 Cb -0.13 -2.68 -0.05 0.00 0.80 0.00 0.00 33.01 30.95 2kbg s GLN 74 CO 0.01 -0.66 0.52 0.42 -0.50 0.00 0.00 175.29 175.08 2kbg s ILE 75 N 1.29 5.02 -0.08 -2.34 1.09 0.13 -0.77 121.20 125.55 2kbg s ILE 75 Ca -0.03 1.08 -0.01 0.00 -1.10 0.00 0.00 60.65 60.59 2kbg s ILE 75 Cb -0.19 -3.86 0.03 0.00 -1.06 0.00 0.00 42.46 37.38 2kbg s ILE 75 CO -0.07 0.42 -0.01 -0.89 -0.10 0.00 0.00 174.94 174.28 2kbg s THR 76 N -0.08 0.49 -0.16 2.92 2.01 0.75 0.59 115.64 122.16 2kbg s THR 76 Ca 0.28 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.15 2kbg s THR 76 Cb -0.17 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2kbg s THR 76 CO 0.14 0.28 0.48 0.00 -0.69 0.00 0.00 174.62 174.83 2kbg s ALA 77 N 1.89 3.52 -0.41 7.40 0.00 -1.04 0.23 121.76 133.35 2kbg s ALA 77 Ca 0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 2kbg s ALA 77 Cb -0.12 -2.70 0.06 0.00 0.00 0.00 0.00 23.12 20.35 2kbg s ALA 77 CO -0.06 -0.21 0.26 0.00 0.00 0.00 0.00 175.76 175.75 2kbg s ALA 78 N 1.12 3.33 0.03 0.00 0.00 -0.59 0.10 121.76 125.75 2kbg s ALA 78 Ca 0.24 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.25 2kbg s ALA 78 Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2kbg s ALA 78 CO 0.09 -1.55 0.01 0.27 0.00 0.00 0.00 175.76 174.58 2kbg n ASN 79 N 5.00 1.66 -0.48 0.00 2.04 -1.25 -1.81 115.26 120.42 2kbg n ASN 79 Ca -0.11 -1.12 0.40 0.00 -0.44 0.00 0.00 54.58 53.30 2kbg n ASN 79 Cb 0.44 0.01 0.72 0.00 -2.53 0.00 0.00 39.78 38.43 2kbg n ASN 79 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2kbg h ARG 80 N 0.00 0.06 -0.63 -3.83 2.43 -1.82 1.75 114.38 112.34 2kbg h ARG 80 Ca -0.02 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2kbg h ARG 80 Cb 0.08 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2kbg h ARG 80 CO 0.04 0.04 0.19 -0.07 -1.51 0.00 0.00 179.97 178.66 2kbg h LEU 81 N 0.07 0.93 0.00 3.80 -0.00 -1.93 -3.47 115.31 114.70 2kbg h LEU 81 Ca 0.75 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.42 2kbg h LEU 81 Cb 2.74 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 43.16 2kbg h LEU 81 CO -0.15 0.90 0.00 0.61 -0.00 0.00 0.00 178.44 179.79 2kbg n GLY 82 N -0.71 3.55 3.48 0.83 0.00 0.59 -5.01 105.19 107.93 2kbg n GLY 82 Ca 0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 2kbg n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kbg s TYR 83 N 0.00 -0.97 0.26 1.61 1.51 -1.26 -3.94 117.35 114.57 2kbg s TYR 83 Ca 0.00 1.86 -0.21 0.00 -1.01 0.00 0.00 57.07 57.71 2kbg s TYR 83 Cb 0.00 0.53 0.03 0.00 -0.11 0.00 0.00 41.96 42.40 2kbg s TYR 83 CO 0.00 -0.51 0.74 0.45 -1.11 0.00 0.00 175.55 175.12 2kbg s SER 84 N 2.07 -0.26 -1.36 2.29 0.15 0.11 -4.93 113.70 111.78 2kbg s SER 84 Ca -0.07 -0.57 -0.01 0.00 0.70 0.00 0.00 55.95 55.99 2kbg s SER 84 Cb -0.09 0.70 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2kbg s SER 84 CO -0.17 -1.30 0.62 -0.62 1.20 0.00 0.00 173.24 172.98 2kbg n GLU 85 N -0.46 -4.41 -2.11 5.44 -0.58 -1.26 -2.49 120.64 114.77 2kbg n GLU 85 Ca -0.05 0.55 -0.34 0.00 -0.42 0.00 0.00 57.16 56.90 2kbg n GLU 85 Cb 0.59 -4.99 0.01 0.00 -0.57 0.00 0.00 31.44 26.49 2kbg n GLU 85 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kbg s PRO 86 N -6.21 3.25 -0.16 3.49 0.04 -1.26 -4.28 135.00 129.86 2kbg s PRO 86 Ca 0.05 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 2kbg s PRO 86 Cb -0.02 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.56 2kbg s PRO 86 CO 0.84 -0.90 0.01 0.99 0.04 0.00 0.00 177.00 177.98 2kbg s THR 87 N -2.10 0.65 -0.76 1.26 2.01 0.20 -4.93 115.64 111.97 2kbg s THR 87 Ca 0.69 -0.43 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 2kbg s THR 87 Cb -0.20 -0.99 0.16 0.00 0.01 0.00 0.00 72.50 71.47 2kbg s THR 87 CO 0.32 -0.02 0.81 -0.69 -0.69 0.00 0.00 174.62 174.35 2kbg s VAL 88 N 1.82 5.13 -0.02 3.82 1.01 -1.26 0.22 120.40 131.12 2kbg s VAL 88 Ca 0.01 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.23 2kbg s VAL 88 Cb -0.16 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2kbg s VAL 88 CO -0.07 -1.16 0.14 -0.47 0.00 0.00 0.00 175.10 173.54 2kbg s TYR 89 N 1.65 3.46 -0.03 5.22 5.04 0.12 -4.99 117.35 127.83 2kbg s TYR 89 Ca 0.18 0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 55.11 2kbg s TYR 89 Cb -0.15 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.37 2kbg s TYR 89 CO -0.04 0.62 0.06 -1.83 -1.34 0.00 0.00 175.55 173.03 2kbg s GLU 90 N -1.78 0.06 -0.29 4.97 -1.05 -1.26 -0.04 118.70 119.31 2kbg s GLU 90 Ca 0.25 0.12 -0.15 0.00 -0.15 0.00 0.00 54.97 55.03 2kbg s GLU 90 Cb -0.12 -0.01 0.12 0.00 -0.44 0.00 0.00 34.13 33.68 2kbg s GLU 90 CO 0.16 -0.03 0.82 -0.59 0.95 0.00 0.00 175.26 176.56 2kbg s PHE 91 N 0.21 -0.89 0.23 4.83 -0.71 -1.25 -5.02 117.98 115.39 2kbg s PHE 91 Ca -0.02 1.71 -0.23 0.00 -1.04 0.00 0.00 56.93 57.35 2kbg s PHE 91 Cb -0.02 0.53 -0.09 0.00 -1.21 0.00 0.00 43.02 42.23 2kbg s PHE 91 CO -0.01 -0.44 0.80 -1.54 -1.34 0.00 0.00 175.22 172.69 2kbg s SER 92 N 1.79 7.24 0.29 1.98 1.04 -1.26 -3.40 113.70 121.37 2kbg s SER 92 Ca -0.08 1.60 -0.29 0.00 0.48 0.00 0.00 55.95 57.65 2kbg s SER 92 Cb -0.06 -2.48 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 2kbg s SER 92 CO -0.18 0.06 1.10 -0.04 0.98 0.00 0.00 173.24 175.16 2kbg s MET 93 N -1.73 4.61 0.87 4.02 -1.94 -1.25 -4.95 119.30 118.93 2kbg s MET 93 Ca 0.42 1.79 -0.11 0.00 -1.71 0.00 0.00 55.69 56.08 2kbg s MET 93 Cb -0.19 -3.15 0.11 0.00 2.01 0.00 0.00 34.83 33.61 2kbg s MET 93 CO 0.23 0.19 1.09 -1.25 -0.01 0.00 0.00 175.02 175.28 2kbg s PRO 94 N -1.51 1.51 0.65 2.03 0.04 -1.25 -4.54 135.00 131.93 2kbg s PRO 94 Ca 0.45 0.79 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 2kbg s PRO 94 Cb -0.32 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 2kbg s PRO 94 CO 0.40 -2.06 1.17 -1.25 0.04 0.00 0.00 177.00 175.31 2kbg s PRO 95 N -4.99 2.68 -0.01 0.56 0.04 -1.24 -4.35 135.00 127.71 2kbg s PRO 95 Ca 0.63 1.67 -0.40 0.00 0.04 0.00 0.00 61.00 62.94 2kbg s PRO 95 Cb -0.17 -1.91 -0.20 0.00 0.04 0.00 0.00 34.50 32.26 2kbg s PRO 95 CO 0.56 -1.39 1.07 1.17 0.04 0.00 0.00 177.00 178.45 2kbg n LYS 96 N -2.16 0.00 -2.48 4.56 3.00 -1.26 -4.89 118.16 114.94 2kbg n LYS 96 Ca 0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.09 2kbg n LYS 96 Cb 0.51 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 34.02 2kbg n LYS 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kbg s PRO 97 N 0.03 3.79 0.00 1.64 0.04 -1.26 -4.96 135.00 134.28 2kbg s PRO 97 Ca 0.91 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2kbg s PRO 97 Cb -1.27 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2kbg s PRO 97 CO 0.57 -0.46 0.00 -1.71 0.04 0.00 0.00 177.00 175.44 2kbg n ASN 98 N -0.84 3.16 -0.69 6.66 4.05 -1.26 -4.71 115.26 121.62 2kbg n ASN 98 Ca 0.09 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.19 2kbg n ASN 98 Cb 0.51 0.13 0.11 0.00 1.23 0.00 0.00 39.78 41.77 2kbg n ASN 98 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2kbg n ILE 99 N -1.99 0.34 -4.32 -1.44 -5.35 -1.26 -4.98 119.36 100.36 2kbg n ILE 99 Ca 0.00 -0.67 -0.36 0.00 -0.27 0.00 0.00 62.75 61.45 2kbg n ILE 99 Cb 0.36 1.03 -0.06 0.00 -1.74 0.00 0.00 39.64 39.23 2kbg n ILE 99 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2kbg n ILE 100 N 0.86 -0.96 0.00 7.28 -5.35 -1.26 -4.88 119.36 115.04 2kbg n ILE 100 Ca 0.11 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2kbg n ILE 100 Cb 0.41 -1.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.08 2kbg n ILE 100 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2kbg n LYS 101 N -4.33 0.00 0.00 6.28 4.81 -1.26 -5.17 118.16 118.49 2kbg n LYS 101 Ca -0.07 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2kbg n LYS 101 Cb 0.56 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.49 2kbg n LYS 101 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17