#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbg s GLU 2 N 0.00 1.22 0.00 -0.14 2.02 -1.21 -5.02 118.70 115.57 2kbg s GLU 2 Ca 0.00 -2.28 0.00 0.00 0.02 0.00 0.00 54.97 52.71 2kbg s GLU 2 Cb 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.34 2kbg s GLU 2 CO 0.00 -1.33 0.00 -0.35 0.02 0.00 0.00 175.26 173.60 2kbg n PRO 3 N 2.84 2.23 -3.84 0.39 -0.04 -1.25 -3.93 135.00 131.40 2kbg n PRO 3 Ca 0.24 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 2kbg n PRO 3 Cb 0.43 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.91 2kbg n PRO 3 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kbg n SER 4 N -1.20 -1.77 -4.33 3.54 3.41 -1.26 -4.81 113.62 107.20 2kbg n SER 4 Ca 0.00 -1.96 -0.28 0.00 -0.26 0.00 0.00 58.87 56.37 2kbg n SER 4 Cb 0.00 2.89 0.27 0.00 -0.26 0.00 0.00 64.21 67.11 2kbg n SER 4 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2kbg n PRO 5 N -0.70 -2.95 -0.96 4.33 -0.02 -1.26 -4.89 135.00 128.54 2kbg n PRO 5 Ca -0.03 -0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 60.25 2kbg n PRO 5 Cb 0.58 -2.13 0.03 0.00 -0.02 0.00 0.00 33.50 31.97 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 -5.16 0.00 -2.67 0.52 -0.02 -1.26 -4.99 135.00 121.43 2kbg n PRO 6 Ca 0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.45 2kbg n PRO 6 Cb 0.55 -0.96 0.09 0.00 -0.02 0.00 0.00 33.50 33.16 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 3.36 -1.68 -4.06 2.55 7.64 -1.26 -5.09 113.62 115.08 2kbg n SER 7 Ca -0.02 -2.25 -0.27 0.00 1.01 0.00 0.00 58.87 57.34 2kbg n SER 7 Cb 0.63 0.97 -0.17 0.00 -1.01 0.00 0.00 64.21 64.63 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 0.16 1.41 -0.27 0.44 -1.09 -1.26 -1.35 121.20 119.23 2kbg s ILE 8 Ca 0.17 -0.61 -0.03 0.00 -2.23 0.00 0.00 60.65 57.95 2kbg s ILE 8 Cb 0.33 -1.28 0.03 0.00 -1.58 0.00 0.00 42.46 39.96 2kbg s ILE 8 CO -0.08 0.42 -0.01 -2.28 -1.23 0.00 0.00 174.94 171.76 2kbg s HIS 9 N 0.82 3.13 0.02 3.97 2.46 -1.02 -4.91 115.29 119.76 2kbg s HIS 9 Ca -0.10 -1.48 -0.13 0.00 0.47 0.00 0.00 55.06 53.82 2kbg s HIS 9 Cb -0.15 -2.12 -0.06 0.00 -0.13 0.00 0.00 32.58 30.12 2kbg s HIS 9 CO 0.01 -0.71 0.39 0.20 -2.47 0.00 0.00 174.74 172.16 2kbg s GLY 10 N 1.35 2.41 -0.03 1.59 0.00 -1.25 -0.90 107.32 110.50 2kbg s GLY 10 Ca -0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 44.72 44.26 2kbg s GLY 10 CO -0.02 0.02 0.34 1.20 0.00 0.00 0.00 173.10 174.64 2kbg s GLN 11 N -1.33 0.66 -1.03 2.90 -0.21 -0.62 -4.92 119.66 115.12 2kbg s GLN 11 Ca 0.26 -0.07 -0.23 0.00 0.02 0.00 0.00 55.36 55.34 2kbg s GLN 11 Cb -0.15 0.30 0.02 0.00 1.00 0.00 0.00 33.01 34.17 2kbg s GLN 11 CO 0.14 -0.18 1.64 -1.25 -2.12 0.00 0.00 175.29 173.53 2kbg s PRO 12 N -1.11 3.30 0.00 2.91 0.04 -1.26 0.20 135.00 139.09 2kbg s PRO 12 Ca -0.12 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 59.92 2kbg s PRO 12 Cb -0.05 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2kbg s PRO 12 CO 0.04 -2.62 0.11 -1.13 0.04 0.00 0.00 177.00 173.44 2kbg n SER 13 N 10.47 0.00 -3.77 6.66 3.41 -1.16 -4.87 113.62 124.36 2kbg n SER 13 Ca 0.37 0.11 -0.17 0.00 -0.26 0.00 0.00 58.87 58.93 2kbg n SER 13 Cb 0.49 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.28 2kbg n SER 13 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kbg s SER 14 N -2.09 0.39 1.19 4.04 0.01 -1.26 -5.05 113.70 110.92 2kbg s SER 14 Ca 0.00 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2kbg s SER 14 Cb 0.00 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2kbg s SER 14 CO 0.00 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2kbg n GLY 15 N 4.39 1.33 0.01 3.44 0.00 -1.26 -2.98 105.19 110.12 2kbg n GLY 15 Ca -0.23 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 12.64 0.04 -1.95 1.61 5.02 -1.26 -4.94 118.16 129.31 2kbg n LYS 16 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2kbg n LYS 16 Cb 0.00 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 33.52 2kbg n LYS 16 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2kbg s SER 17 N -3.14 5.57 -0.08 4.39 0.15 -1.16 -4.32 113.70 115.10 2kbg s SER 17 Ca 0.09 2.59 0.03 0.00 0.70 0.00 0.00 55.95 59.37 2kbg s SER 17 Cb 0.17 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.86 2kbg s SER 17 CO 0.76 -1.35 -0.18 0.12 1.20 0.00 0.00 173.24 173.78 2kbg s PHE 18 N -1.40 2.03 -0.56 3.44 5.36 -1.10 -3.00 117.98 122.75 2kbg s PHE 18 Ca 0.69 -0.79 -0.23 0.00 -0.96 0.00 0.00 56.93 55.64 2kbg s PHE 18 Cb -0.36 -1.40 0.05 0.00 -0.34 0.00 0.00 43.02 40.97 2kbg s PHE 18 CO 0.43 -0.34 0.88 0.21 -1.46 0.00 0.00 175.22 174.94 2kbg s LYS 19 N 0.46 3.26 -0.62 10.12 2.20 0.13 -3.38 119.74 131.91 2kbg s LYS 19 Ca -0.16 -0.48 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 2kbg s LYS 19 Cb -0.17 -4.09 0.15 0.00 -1.51 0.00 0.00 37.83 32.22 2kbg s LYS 19 CO 0.06 -1.48 0.58 -0.51 -0.36 0.00 0.00 175.35 173.64 2kbg s LEU 20 N 3.70 6.28 0.00 5.43 1.43 -1.06 -1.58 118.68 132.87 2kbg s LEU 20 Ca 0.26 -2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.06 2kbg s LEU 20 Cb -0.15 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 2kbg s LEU 20 CO 0.16 -0.80 1.25 -0.55 0.23 0.00 0.00 176.35 176.64 2kbg s SER 21 N 3.24 7.01 -0.44 2.29 0.15 -0.08 -3.18 113.70 122.68 2kbg s SER 21 Ca 0.07 1.96 -0.24 0.00 0.70 0.00 0.00 55.95 58.45 2kbg s SER 21 Cb -0.24 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.52 2kbg s SER 21 CO 0.00 -0.58 0.82 -0.63 1.20 0.00 0.00 173.24 174.05 2kbg s ILE 22 N 1.84 4.61 -0.34 6.45 -1.09 -1.02 -2.43 121.20 129.22 2kbg s ILE 22 Ca 0.59 0.55 -0.22 0.00 -2.23 0.00 0.00 60.65 59.34 2kbg s ILE 22 Cb -0.28 -4.34 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 2kbg s ILE 22 CO 0.26 -0.72 0.71 -0.89 -1.23 0.00 0.00 174.94 173.06 2kbg s THR 23 N 3.39 4.83 -0.61 2.92 2.01 -0.46 -4.56 115.64 123.17 2kbg s THR 23 Ca 0.32 0.84 -0.32 0.00 0.31 0.00 0.00 61.69 62.84 2kbg s THR 23 Cb -0.12 -4.11 -0.17 0.00 0.01 0.00 0.00 72.50 68.11 2kbg s THR 23 CO 0.23 -0.30 2.03 0.29 -0.69 0.00 0.00 174.62 176.17 2kbg n LYS 24 N 6.16 0.00 -2.56 4.92 5.02 -1.26 -4.88 118.16 125.56 2kbg n LYS 24 Ca 0.01 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.08 2kbg n LYS 24 Cb 0.48 -1.27 0.05 0.00 -0.02 0.00 0.00 35.03 34.27 2kbg n LYS 24 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kbg s GLN 25 N 6.22 2.43 -0.27 1.97 -0.21 -1.26 -4.97 119.66 123.57 2kbg s GLN 25 Ca 1.08 -0.72 -0.28 0.00 0.02 0.00 0.00 55.36 55.46 2kbg s GLN 25 Cb -1.18 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.36 2kbg s GLN 25 CO 0.50 -0.85 2.14 0.34 -2.12 0.00 0.00 175.29 175.30 2kbg s ASP 26 N -4.46 5.47 0.43 5.90 -1.08 -1.26 -4.90 116.67 116.77 2kbg s ASP 26 Ca 0.58 1.69 -0.26 0.00 -0.52 0.00 0.00 52.55 54.05 2kbg s ASP 26 Cb -0.10 -2.51 -0.08 0.00 -1.46 0.00 0.00 42.92 38.76 2kbg s ASP 26 CO 0.40 -1.98 1.37 -1.81 0.52 0.00 0.00 175.17 173.66 2kbg s ASP 27 N 8.10 6.08 0.63 -0.34 1.01 -1.25 -3.85 116.67 127.05 2kbg s ASP 27 Ca 0.96 2.79 0.14 0.00 0.71 0.00 0.00 52.55 57.14 2kbg s ASP 27 Cb -0.29 -2.65 0.74 0.00 1.01 0.00 0.00 42.92 41.74 2kbg s ASP 27 CO 0.34 -1.03 1.40 1.23 0.21 0.00 0.00 175.17 177.33 2kbg h GLY 28 N 2.48 0.00 0.00 0.21 0.00 -1.91 -3.38 103.07 100.46 2kbg h GLY 28 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2kbg h GLY 28 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 2kbg n GLY 29 N -1.36 -0.91 3.07 4.60 0.00 -1.26 -3.29 105.19 106.05 2kbg n GLY 29 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.09 0.31 4.61 0.00 -1.26 -5.08 121.76 120.25 2kbg s ALA 30 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 2kbg s ALA 30 Cb 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 2kbg s ALA 30 CO 0.00 -0.24 1.41 -1.25 0.00 0.00 0.00 175.76 175.68 2kbg s PRO 31 N -1.88 4.26 -0.00 0.00 0.04 -1.26 -4.72 135.00 131.43 2kbg s PRO 31 Ca -0.11 2.33 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 2kbg s PRO 31 Cb -0.06 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2kbg s PRO 31 CO -0.01 -0.36 0.83 0.42 0.04 0.00 0.00 177.00 177.91 2kbg s ILE 32 N -0.64 4.87 -0.08 0.56 1.01 -1.26 -4.18 121.20 121.48 2kbg s ILE 32 Ca 0.54 1.75 -0.15 0.00 0.00 0.00 0.00 60.65 62.79 2kbg s ILE 32 Cb -0.42 -4.17 -0.28 0.00 0.01 0.00 0.00 42.46 37.59 2kbg s ILE 32 CO 0.51 0.25 0.61 -0.07 0.00 0.00 0.00 174.94 176.24 2kbg h LEU 33 N 6.43 0.46 -7.89 2.97 -0.00 -1.66 -3.39 115.31 112.22 2kbg h LEU 33 Ca -0.42 -0.88 -0.09 0.00 -0.00 0.00 0.00 57.88 56.49 2kbg h LEU 33 Cb 1.21 -0.15 -0.14 0.00 -0.00 0.00 0.00 40.66 41.58 2kbg h LEU 33 CO 0.74 1.66 -0.38 -1.61 -0.00 0.00 0.00 178.44 178.85 2kbg s GLU 34 N -2.50 0.89 -0.16 1.13 2.02 -1.23 -1.53 118.70 117.31 2kbg s GLU 34 Ca -0.18 -1.02 -0.01 0.00 0.02 0.00 0.00 54.97 53.78 2kbg s GLU 34 Cb 0.04 0.34 -0.01 0.00 0.10 0.00 0.00 34.13 34.61 2kbg s GLU 34 CO 0.79 -0.29 -0.12 0.71 0.02 0.00 0.00 175.26 176.37 2kbg s TYR 35 N -3.89 2.83 -0.36 1.61 1.51 0.89 -1.27 117.35 118.68 2kbg s TYR 35 Ca 0.08 -0.95 -0.15 0.00 -1.01 0.00 0.00 57.07 55.04 2kbg s TYR 35 Cb 0.05 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 2kbg s TYR 35 CO -0.09 -0.44 0.32 0.42 -1.11 0.00 0.00 175.55 174.65 2kbg s ILE 36 N 0.87 5.21 -0.16 2.71 1.01 0.98 -0.40 121.20 131.42 2kbg s ILE 36 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 2kbg s ILE 36 Cb -0.15 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 2kbg s ILE 36 CO -0.00 -0.12 -0.09 -0.69 0.00 0.00 0.00 174.94 174.04 2kbg s VAL 37 N 1.90 3.33 -0.07 2.92 1.01 0.17 -0.52 120.40 129.14 2kbg s VAL 37 Ca 0.09 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2kbg s VAL 37 Cb -0.17 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2kbg s VAL 37 CO 0.11 0.50 -0.11 -0.54 0.00 0.00 0.00 175.10 175.06 2kbg s LYS 38 N 0.60 1.63 0.05 2.72 1.02 -0.11 0.86 119.74 126.52 2kbg s LYS 38 Ca -0.05 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.57 2kbg s LYS 38 Cb -0.15 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 2kbg s LYS 38 CO 0.03 -0.02 -0.07 1.52 -0.92 0.00 0.00 175.35 175.90 2kbg s TYR 39 N 0.81 0.67 0.25 3.18 1.13 -1.09 0.05 117.35 122.35 2kbg s TYR 39 Ca -0.12 -0.65 -0.01 0.00 -1.41 0.00 0.00 57.07 54.89 2kbg s TYR 39 Cb -0.15 -0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 40.27 2kbg s TYR 39 CO 0.02 -0.13 0.24 -0.98 -2.51 0.00 0.00 175.55 172.19 2kbg s ARG 40 N -2.29 1.44 0.12 -3.49 1.70 -0.80 -1.47 118.95 114.17 2kbg s ARG 40 Ca -0.04 -1.68 -0.25 0.00 -0.47 0.00 0.00 55.73 53.29 2kbg s ARG 40 Cb -0.05 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 2kbg s ARG 40 CO -0.02 -0.52 0.78 -1.12 -1.08 0.00 0.00 175.30 173.34 2kbg s SER 41 N -3.20 7.33 0.26 -2.89 0.01 -1.25 -1.40 113.70 112.56 2kbg s SER 41 Ca 0.36 1.58 -0.04 0.00 1.31 0.00 0.00 55.95 59.17 2kbg s SER 41 Cb 0.04 -2.49 0.32 0.00 0.21 0.00 0.00 66.02 64.10 2kbg s SER 41 CO 0.16 0.14 1.82 0.11 0.41 0.00 0.00 173.24 175.88 2kbg h LYS 42 N 4.83 1.00 -0.54 12.44 1.57 -0.68 -2.65 116.57 132.54 2kbg h LYS 42 Ca -0.46 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.11 2kbg h LYS 42 Cb 1.21 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2kbg h LYS 42 CO 0.68 0.83 0.18 -0.44 -0.57 0.00 0.00 179.45 180.13 2kbg h ASP 43 N 0.97 0.77 -3.74 0.86 3.32 -1.93 -3.40 116.42 113.27 2kbg h ASP 43 Ca 0.22 -0.19 -0.66 0.00 0.02 0.00 0.00 57.03 56.42 2kbg h ASP 43 Cb 0.22 -0.20 -0.20 0.00 0.22 0.00 0.00 39.33 39.37 2kbg h ASP 43 CO -0.02 0.76 -0.54 -0.54 -1.72 0.00 0.00 179.24 177.18 2kbg s LYS 44 N -5.45 3.62 -0.62 3.56 -0.14 -1.00 -4.99 119.74 114.71 2kbg s LYS 44 Ca -0.13 -0.54 0.03 0.00 -1.36 0.00 0.00 55.97 53.98 2kbg s LYS 44 Cb 0.12 -3.59 0.37 0.00 -1.68 0.00 0.00 37.83 33.05 2kbg s LYS 44 CO 0.79 -0.31 1.27 0.39 -0.76 0.00 0.00 175.35 176.73 2kbg n GLU 45 N 5.02 3.54 0.00 1.68 1.02 -1.26 -3.89 120.64 126.74 2kbg n GLU 45 Ca -0.14 -4.53 0.00 0.00 -0.02 0.00 0.00 57.16 52.47 2kbg n GLU 45 Cb 0.51 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2kbg n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kbg n ASP 46 N -0.35 0.00 -3.90 1.62 5.75 -1.26 -5.11 116.55 113.30 2kbg n ASP 46 Ca 0.39 -1.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.07 2kbg n ASP 46 Cb 0.45 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.45 2kbg n ASP 46 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kbg s GLN 47 N 0.00 0.55 -0.17 0.11 -0.21 -1.26 -5.15 119.66 113.53 2kbg s GLN 47 Ca 0.00 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.73 2kbg s GLN 47 Cb 0.00 0.22 0.07 0.00 1.00 0.00 0.00 33.01 34.30 2kbg s GLN 47 CO 0.00 -0.14 0.13 -1.58 -2.12 0.00 0.00 175.29 171.58 2kbg s TRP 48 N -2.11 0.04 0.72 0.91 0.52 -1.26 -4.64 118.94 113.13 2kbg s TRP 48 Ca -0.09 -0.12 -0.11 0.00 0.02 0.00 0.00 56.10 55.81 2kbg s TRP 48 Cb -0.04 -0.58 0.03 0.00 -1.15 0.00 0.00 33.47 31.73 2kbg s TRP 48 CO -0.02 -0.52 1.07 -0.51 0.02 0.00 0.00 176.95 176.99 2kbg s LEU 49 N 2.20 3.09 0.09 2.99 1.43 -0.54 -4.88 118.68 123.06 2kbg s LEU 49 Ca 0.04 1.69 0.10 0.00 -1.03 0.00 0.00 54.13 54.92 2kbg s LEU 49 Cb -0.16 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 2kbg s LEU 49 CO -0.10 -1.67 -0.25 -1.83 0.23 0.00 0.00 176.35 172.74 2kbg s GLU 50 N -5.00 1.43 -0.24 1.70 -1.05 -1.26 -2.68 118.70 111.60 2kbg s GLU 50 Ca 0.59 -1.20 -0.04 0.00 -0.15 0.00 0.00 54.97 54.17 2kbg s GLU 50 Cb -0.15 -1.76 0.13 0.00 -0.44 0.00 0.00 34.13 31.91 2kbg s GLU 50 CO 0.55 0.43 0.42 0.21 0.95 0.00 0.00 175.26 177.83 2kbg s LYS 51 N -1.72 0.37 0.04 -4.83 2.47 0.25 -4.97 119.74 111.35 2kbg s LYS 51 Ca 0.11 0.78 -0.06 0.00 -1.56 0.00 0.00 55.97 55.24 2kbg s LYS 51 Cb -0.10 -0.06 -0.05 0.00 -1.46 0.00 0.00 37.83 36.17 2kbg s LYS 51 CO 0.04 -0.50 0.29 0.15 0.16 0.00 0.00 175.35 175.49 2kbg s LYS 52 N 2.61 3.58 0.08 4.03 -0.14 -1.26 0.45 119.74 129.09 2kbg s LYS 52 Ca 0.08 -0.11 -0.00 0.00 -1.36 0.00 0.00 55.97 54.59 2kbg s LYS 52 Cb -0.14 -3.03 -0.04 0.00 -1.68 0.00 0.00 37.83 32.94 2kbg s LYS 52 CO -0.15 0.61 -0.03 0.08 -0.76 0.00 0.00 175.35 175.10 2kbg s VAL 53 N -1.39 0.36 0.10 3.17 1.01 0.46 -4.95 120.40 119.16 2kbg s VAL 53 Ca 0.31 -1.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.15 2kbg s VAL 53 Cb -0.13 -1.67 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 2kbg s VAL 53 CO 0.19 -0.87 0.84 -1.58 0.00 0.00 0.00 175.10 173.68 2kbg s GLN 54 N -3.91 4.60 0.00 2.72 0.74 -1.26 -0.08 119.66 122.47 2kbg s GLN 54 Ca 0.11 1.23 0.00 0.00 0.05 0.00 0.00 55.36 56.75 2kbg s GLN 54 Cb 0.07 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.84 2kbg s GLN 54 CO -0.06 0.34 0.78 0.41 -0.55 0.00 0.00 175.29 176.21 2kbg n GLY 55 N 2.12 -0.31 0.05 2.59 0.00 -0.58 0.11 105.19 109.17 2kbg n GLY 55 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.28 0.78 -0.01 1.61 3.02 -1.26 -4.54 115.26 113.58 2kbg n ASN 56 Ca 0.00 -0.89 -0.12 0.00 -0.03 0.00 0.00 54.58 53.54 2kbg n ASN 56 Cb 0.10 0.92 -0.07 0.00 -0.61 0.00 0.00 39.78 40.11 2kbg n ASN 56 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2kbg h LYS 57 N 0.25 0.10 -4.60 3.52 1.63 0.38 -3.46 116.57 114.39 2kbg h LYS 57 Ca 0.00 -0.02 -0.32 0.00 -0.85 0.00 0.00 60.65 59.45 2kbg h LYS 57 Cb 0.35 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 2kbg h LYS 57 CO 0.00 0.30 -0.46 -0.25 -3.45 0.00 0.00 179.45 175.59 2kbg n ASP 58 N -4.92 -4.12 0.00 4.20 8.00 -1.25 -4.89 116.55 113.58 2kbg n ASP 58 Ca -0.07 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2kbg n ASP 58 Cb 0.14 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 2kbg n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kbg n HIS 59 N -3.77 0.00 -3.75 1.24 1.44 -1.26 -2.42 115.22 106.70 2kbg n HIS 59 Ca -0.09 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.49 2kbg n HIS 59 Cb 0.58 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.59 2kbg n HIS 59 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2kbg s ILE 60 N -2.00 0.01 -0.29 0.61 -4.36 -1.19 -4.91 121.20 109.07 2kbg s ILE 60 Ca 0.00 -0.06 -0.04 0.00 -0.26 0.00 0.00 60.65 60.29 2kbg s ILE 60 Cb 0.00 -0.54 0.03 0.00 1.25 0.00 0.00 42.46 43.20 2kbg s ILE 60 CO 0.00 -0.03 0.02 -0.63 0.24 0.00 0.00 174.94 174.54 2kbg s ILE 61 N -0.01 3.37 -0.13 8.37 -1.09 -1.26 -2.57 121.20 127.88 2kbg s ILE 61 Ca -0.02 -1.03 -0.10 0.00 -2.23 0.00 0.00 60.65 57.27 2kbg s ILE 61 Cb -0.03 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 2kbg s ILE 61 CO 0.01 0.03 0.20 -0.76 -1.23 0.00 0.00 174.94 173.19 2kbg s LEU 62 N 1.37 4.34 0.26 2.97 1.43 -1.22 -4.98 118.68 122.86 2kbg s LEU 62 Ca -0.01 0.50 0.10 0.00 -1.03 0.00 0.00 54.13 53.69 2kbg s LEU 62 Cb -0.18 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2kbg s LEU 62 CO -0.00 0.30 -0.07 -1.61 0.23 0.00 0.00 176.35 175.20 2kbg s GLU 63 N -0.51 2.10 -0.44 1.70 2.02 -1.26 -2.72 118.70 119.60 2kbg s GLU 63 Ca 0.15 -1.50 -0.02 0.00 0.02 0.00 0.00 54.97 53.62 2kbg s GLU 63 Cb -0.13 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2kbg s GLU 63 CO 0.04 0.36 0.39 1.58 0.02 0.00 0.00 175.26 177.65 2kbg n HIS 64 N -0.74 -1.16 -3.89 1.61 -0.00 -1.26 -4.97 115.22 104.80 2kbg n HIS 64 Ca -0.06 0.42 -0.29 0.00 0.46 0.00 0.00 57.72 58.24 2kbg n HIS 64 Cb 0.59 -3.10 -0.12 0.00 -0.12 0.00 0.00 29.99 27.24 2kbg n HIS 64 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kbg s LEU 65 N -3.79 4.77 0.50 0.27 1.43 -1.26 -5.06 118.68 115.55 2kbg s LEU 65 Ca 0.16 -3.65 -0.15 0.00 -1.03 0.00 0.00 54.13 49.46 2kbg s LEU 65 Cb -0.02 -1.66 -0.12 0.00 0.03 0.00 0.00 46.19 44.42 2kbg s LEU 65 CO 0.33 -0.13 -0.22 0.00 0.23 0.00 0.00 176.35 176.56 2kbg n GLN 66 N 2.27 0.00 0.00 1.70 6.02 -1.26 -4.81 117.38 121.29 2kbg n GLN 66 Ca 0.16 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.29 2kbg n GLN 66 Cb 0.34 -0.82 0.50 0.00 1.02 0.00 0.00 30.24 31.29 2kbg n GLN 66 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2kbg n TRP 67 N -1.41 0.00 -0.42 1.08 7.02 -1.26 -3.69 117.44 118.75 2kbg n TRP 67 Ca 0.05 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.58 2kbg n TRP 67 Cb 0.40 -0.40 0.15 0.00 -2.42 0.00 0.00 31.31 29.04 2kbg n TRP 67 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2kbg n THR 68 N -1.47 1.39 -3.89 -0.99 -2.24 -1.26 -3.64 114.28 102.19 2kbg n THR 68 Ca 0.07 -1.33 -0.14 0.00 -2.27 0.00 0.00 64.05 60.38 2kbg n THR 68 Cb 0.33 0.25 -0.15 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.62 0.08 0.27 -0.78 -1.94 -1.24 -5.02 119.30 109.04 2kbg s MET 69 Ca 0.24 0.03 0.05 0.00 -1.71 0.00 0.00 55.69 54.30 2kbg s MET 69 Cb 0.16 -0.17 -0.02 0.00 2.01 0.00 0.00 34.83 36.81 2kbg s MET 69 CO 0.10 -0.04 0.39 0.20 -0.01 0.00 0.00 175.02 175.66 2kbg s GLY 70 N 0.36 1.31 -0.14 -0.03 0.00 -1.26 -3.91 107.32 103.64 2kbg s GLY 70 Ca -0.03 -1.28 -0.13 0.00 0.00 0.00 0.00 44.72 43.28 2kbg s GLY 70 CO -0.01 -1.27 0.38 -2.52 0.00 0.00 0.00 173.10 169.68 2kbg s TYR 71 N -2.04 -0.43 0.27 1.90 1.13 -1.25 0.10 117.35 117.03 2kbg s TYR 71 Ca 0.37 1.04 -0.14 0.00 -1.41 0.00 0.00 57.07 56.93 2kbg s TYR 71 Cb -0.09 0.15 -0.08 0.00 -1.10 0.00 0.00 41.96 40.84 2kbg s TYR 71 CO 0.30 -0.21 0.67 -1.21 -2.51 0.00 0.00 175.55 172.59 2kbg s GLU 72 N 0.28 3.98 -0.06 -3.49 2.02 -0.49 -3.99 118.70 116.94 2kbg s GLU 72 Ca -0.01 0.57 0.04 0.00 0.02 0.00 0.00 54.97 55.59 2kbg s GLU 72 Cb -0.03 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.62 2kbg s GLU 72 CO -0.00 0.25 -0.17 0.08 0.02 0.00 0.00 175.26 175.44 2kbg s VAL 73 N -1.84 1.48 -0.22 2.63 1.01 0.16 -1.90 120.40 121.73 2kbg s VAL 73 Ca 0.50 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2kbg s VAL 73 Cb -0.12 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.02 2kbg s VAL 73 CO 0.19 0.43 -0.10 -1.58 0.00 0.00 0.00 175.10 174.04 2kbg s GLN 74 N 0.27 2.02 -0.09 2.72 0.74 0.11 -0.03 119.66 125.41 2kbg s GLN 74 Ca -0.10 -1.00 -0.13 0.00 0.05 0.00 0.00 55.36 54.18 2kbg s GLN 74 Cb -0.14 -2.58 -0.05 0.00 1.10 0.00 0.00 33.01 31.34 2kbg s GLN 74 CO 0.04 -0.49 0.30 0.42 -0.55 0.00 0.00 175.29 175.01 2kbg s ILE 75 N 1.32 5.25 -0.10 -2.34 1.09 0.11 -0.93 121.20 125.60 2kbg s ILE 75 Ca -0.04 0.58 -0.03 0.00 -1.10 0.00 0.00 60.65 60.06 2kbg s ILE 75 Cb -0.18 -3.61 0.04 0.00 -1.06 0.00 0.00 42.46 37.66 2kbg s ILE 75 CO -0.07 0.51 0.05 -0.89 -0.10 0.00 0.00 174.94 174.44 2kbg s THR 76 N -0.44 0.06 -0.15 2.92 2.01 0.33 0.54 115.64 120.91 2kbg s THR 76 Ca 0.19 0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.05 2kbg s THR 76 Cb -0.14 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 2kbg s THR 76 CO 0.07 0.02 0.71 0.00 -0.69 0.00 0.00 174.62 174.73 2kbg s ALA 77 N 2.09 3.48 -0.36 7.40 0.00 -1.11 -0.01 121.76 133.25 2kbg s ALA 77 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 2kbg s ALA 77 Cb -0.14 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.96 2kbg s ALA 77 CO -0.06 -0.45 0.19 0.00 0.00 0.00 0.00 175.76 175.45 2kbg s ALA 78 N 1.65 3.28 0.00 0.00 0.00 -0.40 -0.15 121.76 126.15 2kbg s ALA 78 Ca 0.34 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2kbg s ALA 78 Cb -0.17 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2kbg s ALA 78 CO 0.13 -1.25 0.00 0.27 0.00 0.00 0.00 175.76 174.91 2kbg n ASN 79 N 5.00 1.16 -0.05 0.00 0.23 -1.25 -1.62 115.26 118.72 2kbg n ASN 79 Ca -0.12 -0.49 0.19 0.00 -0.53 0.00 0.00 54.58 53.63 2kbg n ASN 79 Cb 0.47 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.82 2kbg n ASN 79 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 2kbg h ARG 80 N 0.00 0.09 -0.57 -3.83 3.08 -1.85 0.24 114.38 111.54 2kbg h ARG 80 Ca 0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 2kbg h ARG 80 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2kbg h ARG 80 CO 0.00 0.06 0.10 -0.07 -1.07 0.00 0.00 179.97 179.00 2kbg h LEU 81 N 0.10 0.89 0.00 3.04 -0.00 -1.94 -3.47 115.31 113.93 2kbg h LEU 81 Ca 0.29 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2kbg h LEU 81 Cb 1.01 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2kbg h LEU 81 CO -0.03 0.92 0.00 0.61 -0.00 0.00 0.00 178.44 179.94 2kbg n GLY 82 N -0.57 3.69 3.39 0.83 0.00 0.83 -5.05 105.19 108.31 2kbg n GLY 82 Ca 0.03 -0.88 -0.13 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 -0.58 0.26 1.61 1.51 -1.26 -3.91 117.35 114.98 2kbg s TYR 83 Ca 0.00 1.37 -0.22 0.00 -1.01 0.00 0.00 57.07 57.21 2kbg s TYR 83 Cb 0.00 0.23 0.03 0.00 -0.11 0.00 0.00 41.96 42.11 2kbg s TYR 83 CO 0.00 -0.29 0.78 0.45 -1.11 0.00 0.00 175.55 175.38 2kbg s SER 84 N 0.53 -0.23 -0.95 2.29 0.15 0.79 -4.88 113.70 111.41 2kbg s SER 84 Ca -0.02 -0.59 -0.20 0.00 0.70 0.00 0.00 55.95 55.83 2kbg s SER 84 Cb -0.04 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2kbg s SER 84 CO -0.03 -1.26 0.38 -1.84 1.20 0.00 0.00 173.24 171.69 2kbg n GLU 85 N -0.47 -0.54 -2.19 5.44 0.28 -1.26 -2.74 120.64 119.15 2kbg n GLU 85 Ca -0.05 -0.07 -0.34 0.00 -0.16 0.00 0.00 57.16 56.55 2kbg n GLU 85 Cb 0.59 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.70 2kbg n GLU 85 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2kbg s PRO 86 N -6.71 3.34 -0.22 3.44 0.04 -1.26 -4.41 135.00 129.22 2kbg s PRO 86 Ca 0.28 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2kbg s PRO 86 Cb -0.16 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.42 2kbg s PRO 86 CO 0.72 -0.83 -0.04 0.99 0.04 0.00 0.00 177.00 177.88 2kbg s THR 87 N -2.02 1.34 -0.73 1.26 2.01 0.19 -4.84 115.64 112.84 2kbg s THR 87 Ca 0.69 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 2kbg s THR 87 Cb -0.21 -1.63 0.14 0.00 0.01 0.00 0.00 72.50 70.82 2kbg s THR 87 CO 0.30 -0.09 0.82 0.68 -0.69 0.00 0.00 174.62 175.63 2kbg s VAL 88 N 1.49 5.02 -0.12 3.82 -7.23 -1.26 0.08 120.40 122.19 2kbg s VAL 88 Ca -0.04 -1.53 -0.06 0.00 -1.81 0.00 0.00 61.98 58.54 2kbg s VAL 88 Cb -0.18 -4.55 -0.04 0.00 0.56 0.00 0.00 36.38 32.17 2kbg s VAL 88 CO -0.07 -1.19 0.09 -0.47 -0.31 0.00 0.00 175.10 173.16 2kbg s TYR 89 N 2.00 3.42 -0.01 2.82 5.04 0.96 -4.99 117.35 126.60 2kbg s TYR 89 Ca 0.18 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 2kbg s TYR 89 Cb -0.16 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.24 2kbg s TYR 89 CO -0.02 0.58 0.01 -1.83 -1.34 0.00 0.00 175.55 172.95 2kbg s GLU 90 N -0.80 0.05 -0.29 4.97 -1.05 -1.26 0.40 118.70 120.72 2kbg s GLU 90 Ca 0.13 0.05 -0.16 0.00 -0.15 0.00 0.00 54.97 54.84 2kbg s GLU 90 Cb -0.12 -0.15 0.16 0.00 -0.44 0.00 0.00 34.13 33.58 2kbg s GLU 90 CO 0.03 -0.06 1.04 -0.59 0.95 0.00 0.00 175.26 176.63 2kbg s PHE 91 N 0.42 -0.46 0.64 4.83 -0.71 -1.26 -5.02 117.98 116.42 2kbg s PHE 91 Ca -0.04 0.91 -0.10 0.00 -1.04 0.00 0.00 56.93 56.67 2kbg s PHE 91 Cb -0.05 0.27 -0.01 0.00 -1.21 0.00 0.00 43.02 42.02 2kbg s PHE 91 CO -0.01 -0.23 1.02 -1.54 -1.34 0.00 0.00 175.22 173.12 2kbg s SER 92 N 1.32 5.80 0.25 1.98 1.04 -1.26 -3.90 113.70 118.92 2kbg s SER 92 Ca -0.09 1.15 -0.12 0.00 0.48 0.00 0.00 55.95 57.37 2kbg s SER 92 Cb -0.03 -2.10 -0.08 0.00 0.10 0.00 0.00 66.02 63.91 2kbg s SER 92 CO -0.14 -1.08 0.62 -0.04 0.98 0.00 0.00 173.24 173.58 2kbg s MET 93 N -5.19 3.91 0.72 4.02 -1.94 -1.25 -4.96 119.30 114.60 2kbg s MET 93 Ca 0.56 0.46 -0.11 0.00 -1.71 0.00 0.00 55.69 54.89 2kbg s MET 93 Cb -0.11 -2.62 0.02 0.00 2.01 0.00 0.00 34.83 34.13 2kbg s MET 93 CO 0.51 0.29 1.08 -1.25 -0.01 0.00 0.00 175.02 175.63 2kbg s PRO 94 N -2.73 2.78 0.70 2.03 0.04 -1.26 -4.69 135.00 131.88 2kbg s PRO 94 Ca 0.48 0.66 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 2kbg s PRO 94 Cb -0.12 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2kbg s PRO 94 CO 0.20 -1.13 1.15 -1.25 0.04 0.00 0.00 177.00 176.01 2kbg s PRO 95 N -5.21 2.43 0.03 0.56 0.04 -1.24 -4.51 135.00 127.10 2kbg s PRO 95 Ca 0.58 1.56 -0.34 0.00 0.04 0.00 0.00 61.00 62.84 2kbg s PRO 95 Cb -0.13 -1.89 -0.17 0.00 0.04 0.00 0.00 34.50 32.35 2kbg s PRO 95 CO 0.53 -1.57 0.88 1.17 0.04 0.00 0.00 177.00 178.06 2kbg n LYS 96 N -2.62 0.00 -2.13 4.56 3.00 -1.26 -4.83 118.16 114.87 2kbg n LYS 96 Ca 0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.03 2kbg n LYS 96 Cb 0.51 -1.28 -0.02 0.00 0.00 0.00 0.00 35.03 34.25 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 -0.13 4.23 -0.01 1.64 0.04 -1.26 -4.92 135.00 134.58 2kbg s PRO 97 Ca 0.78 2.14 0.18 0.00 0.04 0.00 0.00 61.00 64.14 2kbg s PRO 97 Cb -1.09 -2.95 -0.22 0.00 0.04 0.00 0.00 34.50 30.29 2kbg s PRO 97 CO 0.51 -0.27 0.66 0.09 0.04 0.00 0.00 177.00 178.03 2kbg n ASN 98 N 0.55 0.83 -0.15 6.66 4.13 -1.26 -4.16 115.26 121.86 2kbg n ASN 98 Ca 0.01 -0.67 0.08 0.00 1.68 0.00 0.00 54.58 55.68 2kbg n ASN 98 Cb 0.43 1.22 -0.05 0.00 -1.54 0.00 0.00 39.78 39.84 2kbg n ASN 98 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2kbg n ILE 99 N -1.61 0.00 -0.63 2.41 -5.35 -1.26 -4.95 119.36 107.97 2kbg n ILE 99 Ca 0.02 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2kbg n ILE 99 Cb 0.33 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 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 -0.88 0.00 0.00 7.28 -5.35 -1.26 -4.67 119.36 114.48 2kbg n ILE 100 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2kbg n ILE 100 Cb 0.28 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 -0.63 0.00 0.00 6.28 4.81 -1.26 -5.09 118.16 122.27 2kbg n LYS 101 Ca 0.00 0.23 0.15 0.00 -0.87 0.00 0.00 58.31 57.83 2kbg n LYS 101 Cb 0.00 -0.68 0.83 0.00 0.02 0.00 0.00 35.03 35.20 2kbg n LYS 101 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10