#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kaa n GLY 6 N 0.00 2.69 3.67 0.44 0.00 -1.26 -4.89 105.19 105.84 3kaa n GLY 6 Ca 0.00 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3kaa n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kaa s TYR 7 N -2.91 3.09 -0.11 1.61 2.02 0.15 -4.80 117.35 116.41 3kaa s TYR 7 Ca 0.00 1.22 -0.24 0.00 -0.37 0.00 0.00 57.07 57.68 3kaa s TYR 7 Cb 0.00 -3.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.13 3kaa s TYR 7 CO 0.00 -1.17 0.76 0.15 -1.57 0.00 0.00 175.55 173.72 3kaa s LYS 8 N 3.11 4.38 -0.21 -0.62 1.02 -1.26 -1.17 119.74 124.99 3kaa s LYS 8 Ca 0.51 0.94 -0.19 0.00 0.02 0.00 0.00 55.97 57.25 3kaa s LYS 8 Cb -0.20 -3.50 0.06 0.00 -0.52 0.00 0.00 37.83 33.67 3kaa s LYS 8 CO 0.13 -0.10 0.56 0.54 -0.92 0.00 0.00 175.35 175.57 3kaa s VAL 9 N 1.34 -0.00 0.48 3.17 0.11 -1.05 -5.01 120.40 119.45 3kaa s VAL 9 Ca 0.38 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 3kaa s VAL 9 Cb -0.17 -0.78 -0.08 0.00 -1.53 0.00 0.00 36.38 33.81 3kaa s VAL 9 CO 0.16 0.00 0.95 -1.61 -3.33 0.00 0.00 175.10 171.27 3kaa s GLU 10 N 0.42 3.97 0.41 1.54 2.02 -1.26 -2.67 118.70 123.13 3kaa s GLU 10 Ca -0.01 0.91 -0.26 0.00 0.02 0.00 0.00 54.97 55.63 3kaa s GLU 10 Cb -0.04 -2.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 3kaa s GLU 10 CO -0.01 -0.20 1.40 0.14 0.02 0.00 0.00 175.26 176.61 3kaa s VAL 11 N -2.51 2.25 0.00 2.63 -7.23 -1.17 -2.89 120.40 111.48 3kaa s VAL 11 Ca 0.58 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 3kaa s VAL 11 Cb -0.10 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.70 3kaa s VAL 11 CO 0.28 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 3kaa n GLY 12 N 0.59 2.10 0.00 2.32 0.00 0.49 -4.98 105.19 105.71 3kaa n GLY 12 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kaa n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kaa n LYS 13 N -2.00 1.17 -4.15 1.61 4.76 -1.14 -4.41 118.16 113.99 3kaa n LYS 13 Ca 0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 3kaa n LYS 13 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 3kaa n LYS 13 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3kaa s ASN 14 N -1.00 5.52 0.04 4.39 0.01 -1.26 -0.11 114.94 122.52 3kaa s ASN 14 Ca 0.00 0.10 -0.06 0.00 -0.71 0.00 0.00 52.86 52.19 3kaa s ASN 14 Cb 0.00 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 40.07 3kaa s ASN 14 CO 0.00 0.27 0.29 0.00 -1.51 0.00 0.00 177.10 176.15 3kaa s ALA 15 N -1.16 3.84 -0.20 0.60 0.00 0.58 -4.96 121.76 120.47 3kaa s ALA 15 Ca 0.22 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 3kaa s ALA 15 Cb -0.12 -2.07 0.05 0.00 0.00 0.00 0.00 23.12 20.98 3kaa s ALA 15 CO 0.13 0.66 -0.02 0.71 0.00 0.00 0.00 175.76 177.24 3kaa s TYR 16 N -1.37 1.70 -0.46 0.00 2.02 -1.26 -2.14 117.35 115.84 3kaa s TYR 16 Ca 0.30 -1.24 -0.01 0.00 -0.37 0.00 0.00 57.07 55.75 3kaa s TYR 16 Cb -0.13 -1.30 0.12 0.00 -0.40 0.00 0.00 41.96 40.25 3kaa s TYR 16 CO 0.18 -0.67 0.24 -0.51 -1.57 0.00 0.00 175.55 173.23 3kaa s LEU 17 N 1.63 5.11 0.27 -1.29 1.43 -0.50 -5.02 118.68 120.30 3kaa s LEU 17 Ca -0.02 -2.33 -0.29 0.00 -1.03 0.00 0.00 54.13 50.45 3kaa s LEU 17 Cb -0.17 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 3kaa s LEU 17 CO -0.07 -0.45 1.21 -2.84 0.23 0.00 0.00 176.35 174.43 3kaa s PRO 18 N 0.70 4.49 -0.27 1.29 0.02 -1.26 -1.29 135.00 138.67 3kaa s PRO 18 Ca 0.11 1.98 -0.24 0.00 0.02 0.00 0.00 61.00 62.87 3kaa s PRO 18 Cb -0.22 -3.16 0.07 0.00 0.02 0.00 0.00 34.50 31.21 3kaa s PRO 18 CO -0.04 -0.03 0.73 0.00 -0.33 0.00 0.00 177.00 177.33 3kaa s SER 20 N 0.53 -0.08 0.00 0.00 0.01 -1.26 -1.33 113.70 111.57 3kaa s SER 20 Ca -0.01 -0.47 -0.05 0.00 1.31 0.00 0.00 55.95 56.73 3kaa s SER 20 Cb -0.05 0.42 -0.00 0.00 0.21 0.00 0.00 66.02 66.60 3kaa s SER 20 CO -0.02 -0.81 0.09 -0.72 0.41 0.00 0.00 173.24 172.19 3kaa s TYR 21 N -3.83 0.08 -0.20 2.43 -0.85 -0.84 -5.00 117.35 109.14 3kaa s TYR 21 Ca 0.04 -0.18 -0.29 0.00 -0.52 0.00 0.00 57.07 56.12 3kaa s TYR 21 Cb 0.03 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 3kaa s TYR 21 CO -0.11 -0.23 1.35 -0.08 -1.52 0.00 0.00 175.55 174.96 3kaa s THR 22 N -1.20 4.12 0.14 -3.49 -1.32 -1.26 -4.56 115.64 108.06 3kaa s THR 22 Ca -0.13 1.32 -0.31 0.00 -1.21 0.00 0.00 61.69 61.35 3kaa s THR 22 Cb -0.07 -3.97 -0.09 0.00 -1.51 0.00 0.00 72.50 66.85 3kaa s THR 22 CO 0.01 -0.25 1.55 -0.22 -2.21 0.00 0.00 174.62 173.50 3kaa s LEU 23 N 4.00 4.37 0.98 9.08 2.96 -1.26 -4.97 118.68 133.83 3kaa s LEU 23 Ca 0.59 2.55 -0.11 0.00 -0.22 0.00 0.00 54.13 56.93 3kaa s LEU 23 Cb -0.21 -3.59 0.18 0.00 0.50 0.00 0.00 46.19 43.07 3kaa s LEU 23 CO 0.20 -0.81 1.10 -2.16 -1.32 0.00 0.00 176.35 173.36 3kaa s PRO 24 N 1.41 0.56 0.48 0.98 0.04 -1.26 -4.94 135.00 132.26 3kaa s PRO 24 Ca 0.70 1.22 0.27 0.00 0.04 0.00 0.00 61.00 63.23 3kaa s PRO 24 Cb -0.42 -1.70 1.02 0.00 0.04 0.00 0.00 34.50 33.45 3kaa s PRO 24 CO 0.31 -2.84 1.86 1.79 0.04 0.00 0.00 177.00 178.16 3kaa h THR 25 N -2.00 0.29 0.00 1.26 1.35 -1.93 -2.69 112.91 109.19 3kaa h THR 25 Ca -0.49 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3kaa h THR 25 Cb 1.29 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3kaa h THR 25 CO 0.46 0.12 0.00 -1.54 -0.25 0.00 0.00 175.52 174.32 3kaa n SER 26 N -3.24 0.00 0.00 5.36 3.41 -1.26 -4.88 113.62 113.00 3kaa n SER 26 Ca 0.01 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3kaa n SER 26 Cb 0.40 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3kaa n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kaa n GLY 27 N 0.86 1.64 3.65 5.00 0.00 -1.02 -4.97 105.19 110.35 3kaa n GLY 27 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kaa n GLY 27 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kaa n THR 28 N 0.00 2.74 -2.83 2.61 -2.24 -1.26 -4.86 114.28 108.43 3kaa n THR 28 Ca 0.00 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 3kaa n THR 28 Cb 0.00 -1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 66.86 3kaa n THR 28 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kaa s LEU 29 N -1.30 4.44 0.11 3.22 1.43 -1.26 -4.59 118.68 120.73 3kaa s LEU 29 Ca 0.65 1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 3kaa s LEU 29 Cb -0.51 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.22 3kaa s LEU 29 CO 0.55 -0.08 0.96 -0.69 0.23 0.00 0.00 176.35 177.32 3kaa s VAL 30 N 0.24 4.52 0.96 -1.59 1.01 -1.26 -4.39 120.40 119.89 3kaa s VAL 30 Ca 0.44 2.07 -0.12 0.00 0.00 0.00 0.00 61.98 64.37 3kaa s VAL 30 Cb -0.21 -4.32 0.17 0.00 0.00 0.00 0.00 36.38 32.01 3kaa s VAL 30 CO 0.26 0.31 1.09 -2.84 0.00 0.00 0.00 175.10 173.92 3kaa s PRO 31 N 0.04 0.71 0.05 2.72 0.02 -1.25 -4.84 135.00 132.45 3kaa s PRO 31 Ca 0.47 0.64 -0.08 0.00 0.02 0.00 0.00 61.00 62.05 3kaa s PRO 31 Cb -0.23 -1.76 0.03 0.00 0.02 0.00 0.00 34.50 32.56 3kaa s PRO 31 CO 0.30 -2.57 0.39 0.00 -0.33 0.00 0.00 177.00 174.79 3kaa n MET 32 N -4.08 0.20 -3.62 5.54 0.00 -1.20 -1.13 117.12 112.84 3kaa n MET 32 Ca 0.06 -0.49 -0.09 0.00 0.00 0.00 0.00 57.70 57.18 3kaa n MET 32 Cb 0.56 0.68 -0.06 0.00 0.00 0.00 0.00 33.22 34.40 3kaa n MET 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kaa s TRP 34 N -0.37 3.64 -0.17 0.00 0.52 0.13 -2.19 118.94 120.50 3kaa s TRP 34 Ca 0.02 0.76 -0.06 0.00 0.02 0.00 0.00 56.10 56.83 3kaa s TRP 34 Cb -0.03 -2.12 0.08 0.00 -1.15 0.00 0.00 33.47 30.24 3kaa s TRP 34 CO -0.04 0.63 0.36 0.20 0.02 0.00 0.00 176.95 178.11 3kaa s GLY 35 N -1.37 -0.27 -0.42 0.98 0.00 -0.72 0.18 107.32 105.69 3kaa s GLY 35 Ca 0.25 1.31 -0.27 0.00 0.00 0.00 0.00 44.72 46.00 3kaa s GLY 35 CO 0.13 2.11 1.96 1.25 0.00 0.00 0.00 173.10 178.55 3kaa s LYS 36 N 2.30 2.92 0.00 2.90 2.20 -1.05 -1.63 119.74 127.37 3kaa s LYS 36 Ca -0.02 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 3kaa s LYS 36 Cb -0.11 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 3kaa s LYS 36 CO -0.11 -2.36 0.00 0.41 -0.36 0.00 0.00 175.35 172.93 3kaa n GLY 37 N 5.63 4.31 3.50 5.54 0.00 0.21 -4.47 105.19 119.90 3kaa n GLY 37 Ca 0.25 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3kaa n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kaa n PHE 38 N -1.89 0.12 -2.09 1.61 3.72 -1.26 -3.81 117.46 113.86 3kaa n PHE 38 Ca 0.00 0.66 -0.43 0.00 -0.05 0.00 0.00 57.45 57.63 3kaa n PHE 38 Cb 0.00 -2.08 -0.03 0.00 -0.94 0.00 0.00 39.48 36.44 3kaa n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kaa n PRO 40 N 7.58 0.00 0.00 0.00 -0.04 -1.26 -5.01 135.00 136.26 3kaa n PRO 40 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3kaa n PRO 40 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 3kaa n PRO 40 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 3kaa n TRP 41 N 0.00 0.00 -3.65 0.54 -0.00 -1.26 -5.06 117.44 108.01 3kaa n TRP 41 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 3kaa n TRP 41 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 3kaa n TRP 41 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3kaa s SER 42 N 0.00 -1.04 0.77 5.87 0.15 -1.26 -5.13 113.70 113.05 3kaa s SER 42 Ca 0.00 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.16 3kaa s SER 42 Cb 0.00 2.18 0.00 0.00 -1.71 0.00 0.00 66.02 66.49 3kaa s SER 42 CO 0.00 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.22 3kaa n GLN 43 N 5.41 0.00 -4.32 5.44 6.02 -1.26 -4.79 117.38 123.88 3kaa n GLN 43 Ca -0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.57 3kaa n GLN 43 Cb 0.49 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.65 3kaa n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kaa s THR 45 N -1.14 5.16 -1.29 0.00 -4.23 -1.26 -4.36 115.64 108.52 3kaa s THR 45 Ca 0.19 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3kaa s THR 45 Cb -0.11 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.47 3kaa s THR 45 CO 0.11 0.56 1.11 0.59 -0.54 0.00 0.00 174.62 176.45 3kaa n ASN 46 N 2.51 -4.78 -4.64 3.99 4.13 -1.26 -2.64 115.26 112.57 3kaa n ASN 46 Ca -0.19 -0.56 -0.53 0.00 1.68 0.00 0.00 54.58 54.98 3kaa n ASN 46 Cb 0.54 -5.02 -0.06 0.00 -1.54 0.00 0.00 39.78 33.69 3kaa n ASN 46 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3kaa n GLU 47 N -4.65 1.45 -0.08 3.52 2.13 -1.26 -2.53 120.64 119.22 3kaa n GLU 47 Ca -0.10 0.51 -0.23 0.00 0.66 0.00 0.00 57.16 58.00 3kaa n GLU 47 Cb 0.60 -2.36 -0.12 0.00 0.27 0.00 0.00 31.44 29.83 3kaa n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3kaa n LEU 48 N 6.89 2.28 -3.76 4.31 4.77 0.13 -4.65 117.00 126.98 3kaa n LEU 48 Ca 0.29 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 3kaa n LEU 48 Cb 0.20 -0.98 -0.10 0.00 -2.33 0.00 0.00 43.42 40.22 3kaa n LEU 48 CO 0.78 0.61 0.02 -0.22 -1.33 0.00 0.00 177.39 177.24 3kaa s LEU 49 N -7.35 0.76 -0.04 2.23 0.20 -1.22 -0.77 118.68 112.48 3kaa s LEU 49 Ca -0.30 0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.96 3kaa s LEU 49 Cb 0.08 1.22 0.02 0.00 -0.43 0.00 0.00 46.19 47.08 3kaa s LEU 49 CO 0.63 -0.27 -0.06 -0.60 -0.29 0.00 0.00 176.35 175.76 3kaa s ARG 50 N -0.49 0.95 0.14 1.98 3.52 -1.14 0.22 118.95 124.13 3kaa s ARG 50 Ca -0.06 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 3kaa s ARG 50 Cb -0.04 -0.90 -0.04 0.00 -1.56 0.00 0.00 34.95 32.41 3kaa s ARG 50 CO 0.02 -0.01 0.30 -0.08 -0.81 0.00 0.00 175.30 174.72 3kaa s THR 51 N 0.67 5.30 0.00 4.11 -1.32 -0.31 0.44 115.64 124.52 3kaa s THR 51 Ca -0.10 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 3kaa s THR 51 Cb -0.13 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 3kaa s THR 51 CO 0.01 -0.05 0.00 -0.67 -2.21 0.00 0.00 174.62 171.70 3kaa n ASP 52 N -0.33 0.00 -0.19 8.08 -0.08 0.44 -3.21 116.55 121.26 3kaa n ASP 52 Ca -0.06 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.28 3kaa n ASP 52 Cb 0.53 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.97 3kaa n ASP 52 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3kaa n GLU 53 N 0.00 2.34 -0.07 -0.67 0.28 -1.26 -3.86 120.64 117.40 3kaa n GLU 53 Ca 0.00 -0.48 -0.13 0.00 -0.16 0.00 0.00 57.16 56.39 3kaa n GLU 53 Cb 0.00 -1.11 -0.05 0.00 1.43 0.00 0.00 31.44 31.71 3kaa n GLU 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3kaa n ARG 54 N -0.51 0.30 -2.31 3.44 1.74 -1.26 -4.30 116.66 113.75 3kaa n ARG 54 Ca 0.04 0.11 -0.02 0.00 -0.77 0.00 0.00 57.85 57.21 3kaa n ARG 54 Cb 0.23 -1.06 0.01 0.00 -1.02 0.00 0.00 32.46 30.61 3kaa n ARG 54 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kaa n ASN 55 N -3.38 -0.80 -4.71 0.55 5.15 -1.26 -5.05 115.26 105.76 3kaa n ASN 55 Ca -0.25 -1.48 -0.42 0.00 -0.60 0.00 0.00 54.58 51.83 3kaa n ASN 55 Cb 0.70 1.31 -0.03 0.00 -0.53 0.00 0.00 39.78 41.23 3kaa n ASN 55 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kaa s VAL 56 N -2.47 3.31 0.00 3.44 1.01 -1.26 -0.42 120.40 124.01 3kaa s VAL 56 Ca 0.08 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3kaa s VAL 56 Cb -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3kaa s VAL 56 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 175.10 175.61 3kaa n THR 57 N 4.03 0.00 -1.99 3.92 -1.04 0.17 -4.85 114.28 114.52 3kaa n THR 57 Ca 0.12 0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.91 3kaa n THR 57 Cb 0.42 -0.80 0.03 0.00 -1.82 0.00 0.00 70.33 68.16 3kaa n THR 57 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3kaa s TYR 58 N -0.17 3.45 -0.30 -1.42 5.04 -1.05 -4.90 117.35 118.00 3kaa s TYR 58 Ca 0.00 1.08 -0.07 0.00 -2.44 0.00 0.00 57.07 55.63 3kaa s TYR 58 Cb 0.00 -2.85 0.18 0.00 0.35 0.00 0.00 41.96 39.64 3kaa s TYR 58 CO 0.00 -0.90 0.85 -1.14 -1.34 0.00 0.00 175.55 173.02 3kaa s GLN 59 N -5.21 0.35 -0.07 4.97 0.74 -1.26 -2.87 119.66 116.31 3kaa s GLN 59 Ca 0.56 0.57 -0.18 0.00 0.05 0.00 0.00 55.36 56.36 3kaa s GLN 59 Cb -0.11 0.31 -0.14 0.00 1.10 0.00 0.00 33.01 34.18 3kaa s GLN 59 CO 0.51 -0.42 0.71 -0.22 -0.55 0.00 0.00 175.29 175.32 3kaa h LYS 60 N 7.94 -0.20 -4.73 1.67 3.64 -1.22 -3.48 116.57 120.20 3kaa h LYS 60 Ca -0.16 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 58.96 3kaa h LYS 60 Cb 1.17 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.89 3kaa h LYS 60 CO 0.05 0.20 -0.65 -1.12 -2.27 0.00 0.00 179.45 175.65 3kaa s SER 61 N -5.49 1.01 0.00 4.20 0.01 -1.26 -5.01 113.70 107.15 3kaa s SER 61 Ca -0.11 -1.21 0.21 0.00 1.31 0.00 0.00 55.95 56.15 3kaa s SER 61 Cb 0.00 0.16 1.00 0.00 0.21 0.00 0.00 66.02 67.39 3kaa s SER 61 CO 0.40 -0.62 1.66 -1.54 0.41 0.00 0.00 173.24 173.55 3kaa n SER 62 N -0.24 0.00 -0.01 2.44 3.41 -1.26 -3.27 113.62 114.69 3kaa n SER 62 Ca -0.05 0.14 -0.12 0.00 -0.26 0.00 0.00 58.87 58.57 3kaa n SER 62 Cb 0.64 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 3kaa n SER 62 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3kaa h ARG 63 N 0.00 0.10 -6.00 4.33 3.08 -1.93 -3.43 114.38 110.54 3kaa h ARG 63 Ca 0.00 -0.03 -0.58 0.00 0.07 0.00 0.00 59.98 59.45 3kaa h ARG 63 Cb 0.24 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 3kaa h ARG 63 CO 0.00 0.31 0.47 0.71 -1.07 0.00 0.00 179.97 180.39 3kaa s TYR 64 N -5.24 3.42 0.20 3.04 2.02 -1.20 -2.77 117.35 116.82 3kaa s TYR 64 Ca -0.14 1.33 0.05 0.00 -0.37 0.00 0.00 57.07 57.93 3kaa s TYR 64 Cb 0.05 -3.07 -0.05 0.00 -0.40 0.00 0.00 41.96 38.49 3kaa s TYR 64 CO 0.68 -0.27 -0.06 -0.65 -1.57 0.00 0.00 175.55 173.68 3kaa s GLN 65 N 2.29 1.24 -0.46 -0.62 -0.21 -0.75 -4.87 119.66 116.28 3kaa s GLN 65 Ca 0.40 -1.58 -0.14 0.00 0.02 0.00 0.00 55.36 54.06 3kaa s GLN 65 Cb -0.17 -0.72 0.07 0.00 1.00 0.00 0.00 33.01 33.20 3kaa s GLN 65 CO 0.12 0.02 0.37 -0.51 -2.12 0.00 0.00 175.29 173.17 3kaa s LEU 66 N -3.26 5.52 0.00 2.90 1.43 -1.26 -2.07 118.68 121.94 3kaa s LEU 66 Ca 0.23 -1.33 0.22 0.00 -1.03 0.00 0.00 54.13 52.22 3kaa s LEU 66 Cb 0.03 -2.15 0.71 0.00 0.03 0.00 0.00 46.19 44.81 3kaa s LEU 66 CO 0.05 -0.62 1.53 2.29 0.23 0.00 0.00 176.35 179.84 3kaa n LYS 67 N 5.16 1.85 -4.32 1.70 2.85 -1.17 -4.89 118.16 119.33 3kaa n LYS 67 Ca -0.12 -1.27 -0.34 0.00 -1.05 0.00 0.00 58.31 55.53 3kaa n LYS 67 Cb 0.44 -1.42 -0.09 0.00 -0.65 0.00 0.00 35.03 33.31 3kaa n LYS 67 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3kaa s GLY 68 N -1.60 1.88 -0.35 2.58 0.00 -1.25 -4.96 107.32 103.60 3kaa s GLY 68 Ca 0.33 -0.85 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 3kaa s GLY 68 CO 0.28 -0.65 1.55 -0.35 0.00 0.00 0.00 173.10 173.92 3kaa s ASP 69 N -1.14 6.23 0.24 1.64 2.15 -1.24 -4.72 116.67 119.83 3kaa s ASP 69 Ca 0.16 1.10 -0.07 0.00 0.43 0.00 0.00 52.55 54.17 3kaa s ASP 69 Cb -0.11 -2.53 0.25 0.00 -0.30 0.00 0.00 42.92 40.22 3kaa s ASP 69 CO 0.05 -1.47 1.92 -0.07 -0.17 0.00 0.00 175.17 175.44 3kaa h LEU 70 N 12.48 1.11 0.00 -1.34 3.38 -1.95 -2.46 115.31 126.54 3kaa h LEU 70 Ca -0.30 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3kaa h LEU 70 Cb 1.13 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kaa h LEU 70 CO 1.05 0.81 0.00 0.59 0.09 0.00 0.00 178.44 180.98 3kaa n ASN 71 N -4.41 0.00 0.00 -0.43 3.02 -1.26 -0.97 115.26 111.21 3kaa n ASN 71 Ca 0.11 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3kaa n ASN 71 Cb 0.02 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3kaa n ASN 71 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kaa n LYS 72 N -0.59 3.17 0.00 3.52 5.02 -1.05 -5.02 118.16 123.21 3kaa n LYS 72 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3kaa n LYS 72 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 3kaa n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kaa n GLY 73 N 1.00 0.82 3.67 0.72 0.00 -0.14 -4.56 105.19 106.70 3kaa n GLY 73 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3kaa n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kaa s ASP 74 N -2.06 7.13 -0.07 1.61 2.15 -0.95 -1.98 116.67 122.51 3kaa s ASP 74 Ca 0.00 1.41 0.14 0.00 0.43 0.00 0.00 52.55 54.53 3kaa s ASP 74 Cb 0.00 -2.53 0.27 0.00 -0.30 0.00 0.00 42.92 40.36 3kaa s ASP 74 CO 0.00 -0.55 1.13 1.33 -0.17 0.00 0.00 175.17 176.91 3kaa n VAL 75 N 4.95 0.88 -1.69 1.11 0.24 -0.44 -3.51 118.33 119.87 3kaa n VAL 75 Ca 0.10 -1.46 -0.44 0.00 -2.04 0.00 0.00 64.34 60.50 3kaa n VAL 75 Cb 0.47 0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 3kaa n VAL 75 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3kaa n SER 76 N -0.41 3.03 -4.86 -1.34 7.64 -1.10 -4.64 113.62 111.95 3kaa n SER 76 Ca 0.09 1.14 -0.29 0.00 1.01 0.00 0.00 58.87 60.82 3kaa n SER 76 Cb 0.81 -1.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 3kaa n SER 76 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kaa s LEU 77 N -0.06 4.08 -0.08 -3.43 2.96 -0.41 -3.03 118.68 118.71 3kaa s LEU 77 Ca 0.67 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3kaa s LEU 77 Cb -0.61 -2.70 0.03 0.00 0.50 0.00 0.00 46.19 43.40 3kaa s LEU 77 CO 0.50 0.14 -0.01 -0.51 -1.32 0.00 0.00 176.35 175.14 3kaa s ILE 78 N -1.54 0.48 -0.37 6.68 2.07 -0.88 -1.41 121.20 126.24 3kaa s ILE 78 Ca 0.32 0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.50 3kaa s ILE 78 Cb -0.12 -0.61 0.02 0.00 0.13 0.00 0.00 42.46 41.87 3kaa s ILE 78 CO 0.25 0.28 0.22 -0.63 -1.91 0.00 0.00 174.94 173.15 3kaa s ILE 79 N 1.93 4.76 0.47 2.00 1.01 -0.91 -1.82 121.20 128.64 3kaa s ILE 79 Ca 0.05 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 3kaa s ILE 79 Cb -0.12 -3.60 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 3kaa s ILE 79 CO -0.06 -0.18 0.97 -0.54 0.00 0.00 0.00 174.94 175.13 3kaa s LYS 80 N 1.60 4.10 -1.41 2.79 1.02 -1.11 -0.30 119.74 126.43 3kaa s LYS 80 Ca 0.03 1.05 -0.05 0.00 0.02 0.00 0.00 55.97 57.02 3kaa s LYS 80 Cb -0.19 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 3kaa s LYS 80 CO 0.07 -0.14 0.35 0.09 -0.92 0.00 0.00 175.35 174.81 3kaa n ASN 81 N -1.06 -0.73 -4.68 2.83 5.03 -0.91 -4.80 115.26 110.93 3kaa n ASN 81 Ca 0.07 -1.11 -0.43 0.00 0.87 0.00 0.00 54.58 53.98 3kaa n ASN 81 Cb 0.54 -2.54 -0.01 0.00 -1.02 0.00 0.00 39.78 36.75 3kaa n ASN 81 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3kaa n VAL 82 N -4.49 1.98 -3.79 2.41 3.14 0.84 -4.64 118.33 113.77 3kaa n VAL 82 Ca -0.28 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 60.37 3kaa n VAL 82 Cb 0.67 -1.50 -0.04 0.00 -1.06 0.00 0.00 33.84 31.92 3kaa n VAL 82 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3kaa s THR 83 N -1.07 2.30 0.36 1.55 -4.23 -1.26 -0.38 115.64 112.91 3kaa s THR 83 Ca 0.56 -1.47 0.39 0.00 -1.18 0.00 0.00 61.69 59.98 3kaa s THR 83 Cb -0.59 -2.77 0.41 0.00 1.34 0.00 0.00 72.50 70.90 3kaa s THR 83 CO 0.62 0.00 2.17 0.17 -0.54 0.00 0.00 174.62 177.03 3kaa h LEU 84 N 1.05 0.00 -1.06 4.79 8.10 -1.97 -1.99 115.31 124.24 3kaa h LEU 84 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.59 3kaa h LEU 84 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.49 3kaa h LEU 84 CO 0.61 0.00 0.00 -0.90 -4.11 0.00 0.00 178.44 174.04 3kaa n ASP 85 N -3.04 1.58 0.08 0.17 5.68 -1.26 -3.83 116.55 115.93 3kaa n ASP 85 Ca -0.01 -1.76 0.12 0.00 -0.50 0.00 0.00 54.79 52.63 3kaa n ASP 85 Cb 0.18 -0.13 0.09 0.00 -1.14 0.00 0.00 41.12 40.12 3kaa n ASP 85 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3kaa h ASP 86 N 2.00 0.00 -4.03 -1.12 3.32 -1.76 -3.47 116.42 111.35 3kaa h ASP 86 Ca 0.00 -0.15 -0.55 0.00 0.02 0.00 0.00 57.03 56.35 3kaa h ASP 86 Cb 0.44 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.14 3kaa h ASP 86 CO 0.00 0.07 0.59 0.00 -1.72 0.00 0.00 179.24 178.18 3kaa n HIS 87 N -2.33 2.25 -0.03 4.55 1.44 -1.25 -4.89 115.22 114.96 3kaa n HIS 87 Ca 0.02 0.43 0.00 0.00 -2.01 0.00 0.00 57.72 56.16 3kaa n HIS 87 Cb 0.48 -2.35 0.00 0.00 0.12 0.00 0.00 29.99 28.24 3kaa n HIS 87 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kaa n GLY 88 N 0.78 0.98 3.83 -1.39 0.00 -0.76 -4.96 105.19 103.67 3kaa n GLY 88 Ca 0.11 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 3kaa n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kaa s THR 89 N -2.00 4.96 0.50 2.61 2.01 -1.26 0.70 115.64 123.16 3kaa s THR 89 Ca 0.00 0.94 0.04 0.00 0.31 0.00 0.00 61.69 62.97 3kaa s THR 89 Cb 0.00 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 3kaa s THR 89 CO 0.00 0.57 0.16 -0.31 -0.69 0.00 0.00 174.62 174.35 3kaa s TYR 90 N -1.04 1.95 -0.12 4.92 2.02 0.24 0.64 117.35 125.95 3kaa s TYR 90 Ca 0.25 -0.84 -0.04 0.00 -0.37 0.00 0.00 57.07 56.07 3kaa s TYR 90 Cb -0.17 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.67 3kaa s TYR 90 CO 0.15 0.00 0.20 0.00 -1.57 0.00 0.00 175.55 174.33 3kaa s ARG 93 N 0.79 2.89 -0.40 0.00 3.52 -0.93 -2.56 118.95 122.26 3kaa s ARG 93 Ca 0.11 -1.26 -0.23 0.00 -0.13 0.00 0.00 55.73 54.22 3kaa s ARG 93 Cb -0.21 -3.98 0.02 0.00 -1.56 0.00 0.00 34.95 29.21 3kaa s ARG 93 CO -0.03 -0.91 0.75 0.42 -0.81 0.00 0.00 175.30 174.72 3kaa s ILE 94 N 1.60 4.73 -1.03 4.11 1.01 -1.06 -2.34 121.20 128.22 3kaa s ILE 94 Ca 0.04 0.60 -0.18 0.00 0.00 0.00 0.00 60.65 61.10 3kaa s ILE 94 Cb -0.22 -4.23 0.13 0.00 0.01 0.00 0.00 42.46 38.14 3kaa s ILE 94 CO 0.07 -0.54 1.26 -1.10 0.00 0.00 0.00 174.94 174.63 3kaa s GLN 95 N 3.10 3.74 0.36 2.79 -0.21 -0.28 -1.95 119.66 127.21 3kaa s GLN 95 Ca 0.29 -1.92 -0.26 0.00 0.02 0.00 0.00 55.36 53.49 3kaa s GLN 95 Cb -0.13 -5.03 -0.09 0.00 1.00 0.00 0.00 33.01 28.76 3kaa s GLN 95 CO 0.19 -1.84 1.06 -0.06 -2.12 0.00 0.00 175.29 172.53 3kaa s PHE 96 N 2.69 3.38 0.74 0.91 0.08 -1.26 -4.24 117.98 120.28 3kaa s PHE 96 Ca 0.38 1.67 -0.15 0.00 0.12 0.00 0.00 56.93 58.94 3kaa s PHE 96 Cb -0.03 -3.17 0.04 0.00 -0.57 0.00 0.00 43.02 39.29 3kaa s PHE 96 CO -0.06 -0.57 1.22 -2.30 -0.10 0.00 0.00 175.22 173.41 3kaa n PRO 97 N 0.35 0.60 0.00 0.24 -0.02 -1.26 -4.68 135.00 130.23 3kaa n PRO 97 Ca 0.03 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3kaa n PRO 97 Cb 0.48 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3kaa n PRO 97 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kaa n GLY 98 N 0.75 -1.70 3.07 -1.23 0.00 -1.26 -4.95 105.19 99.86 3kaa n GLY 98 Ca 0.15 -2.05 -0.17 0.00 0.00 0.00 0.00 46.02 43.95 3kaa n GLY 98 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kaa s LEU 99 N 0.00 2.15 -0.97 0.99 2.96 -1.26 -4.86 118.68 117.68 3kaa s LEU 99 Ca 0.00 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3kaa s LEU 99 Cb 0.00 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.27 3kaa s LEU 99 CO 0.00 -0.02 0.83 0.23 -1.32 0.00 0.00 176.35 176.07 3kaa n MET 100 N 2.08 -4.27 0.00 1.98 2.81 -1.26 -4.93 117.12 113.53 3kaa n MET 100 Ca -0.18 0.73 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 3kaa n MET 100 Cb 0.56 -5.30 0.00 0.00 -0.71 0.00 0.00 33.22 27.77 3kaa n MET 100 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3kaa n ASN 101 N -2.87 0.00 -4.74 7.83 0.23 -1.26 -5.11 115.26 109.34 3kaa n ASN 101 Ca -0.18 -0.42 -0.42 0.00 -0.53 0.00 0.00 54.58 53.03 3kaa n ASN 101 Cb 0.63 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.31 3kaa n ASN 101 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kaa n ASP 102 N 0.00 3.93 -4.55 0.53 10.43 -1.26 -4.73 116.55 120.90 3kaa n ASP 102 Ca 0.00 1.12 -0.39 0.00 2.57 0.00 0.00 54.79 58.09 3kaa n ASP 102 Cb 0.11 -1.59 -0.03 0.00 1.84 0.00 0.00 41.12 41.44 3kaa n ASP 102 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3kaa s LYS 103 N 0.06 2.93 -0.57 -1.24 2.20 -0.82 -4.91 119.74 117.39 3kaa s LYS 103 Ca 0.68 0.03 -0.23 0.00 -0.36 0.00 0.00 55.97 56.08 3kaa s LYS 103 Cb -0.50 -4.45 0.05 0.00 -1.51 0.00 0.00 37.83 31.42 3kaa s LYS 103 CO 0.43 -2.51 0.90 0.15 -0.36 0.00 0.00 175.35 173.96 3kaa s LYS 104 N 6.33 3.25 -0.18 4.03 1.02 -1.26 -2.55 119.74 130.38 3kaa s LYS 104 Ca 0.53 -0.48 -0.06 0.00 0.02 0.00 0.00 55.97 55.97 3kaa s LYS 104 Cb -0.09 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.08 3kaa s LYS 104 CO 0.14 -1.52 0.04 -1.17 -0.92 0.00 0.00 175.35 171.91 3kaa s LEU 105 N 3.79 3.65 -0.20 3.17 2.96 -1.06 -5.01 118.68 125.97 3kaa s LEU 105 Ca 0.26 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3kaa s LEU 105 Cb -0.14 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.63 3kaa s LEU 105 CO 0.16 0.17 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.64 3kaa s GLU 106 N 0.41 3.23 -0.11 1.98 2.02 -1.26 -1.07 118.70 123.90 3kaa s GLU 106 Ca 0.01 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 3kaa s GLU 106 Cb -0.13 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 3kaa s GLU 106 CO 0.01 -0.20 -0.05 -0.51 0.02 0.00 0.00 175.26 174.53 3kaa s LEU 107 N 1.40 3.20 -0.18 1.80 1.43 -1.09 -4.93 118.68 120.31 3kaa s LEU 107 Ca 0.05 -0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 3kaa s LEU 107 Cb -0.14 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3kaa s LEU 107 CO -0.07 0.26 0.17 -0.75 0.23 0.00 0.00 176.35 176.19 3kaa s LYS 108 N -0.21 4.11 0.03 1.70 2.20 -1.26 0.81 119.74 127.12 3kaa s LYS 108 Ca 0.03 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.52 3kaa s LYS 108 Cb -0.13 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 3kaa s LYS 108 CO 0.03 0.35 0.06 -1.17 -0.36 0.00 0.00 175.35 174.25 3kaa s LEU 109 N 0.20 3.77 -0.30 5.43 2.96 0.22 -0.67 118.68 130.30 3kaa s LEU 109 Ca 0.11 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3kaa s LEU 109 Cb -0.12 -2.29 0.11 0.00 0.50 0.00 0.00 46.19 44.39 3kaa s LEU 109 CO 0.00 0.24 0.16 -0.62 -1.32 0.00 0.00 176.35 174.80 3kaa s ASP 110 N -1.95 3.29 -0.06 3.68 2.15 -0.31 -1.82 116.67 121.65 3kaa s ASP 110 Ca 0.24 -1.32 -0.18 0.00 0.43 0.00 0.00 52.55 51.72 3kaa s ASP 110 Cb -0.12 -0.26 -0.05 0.00 -0.30 0.00 0.00 42.92 42.19 3kaa s ASP 110 CO 0.16 -0.42 0.48 -0.63 -0.17 0.00 0.00 175.17 174.59 3kaa s ILE 111 N 2.02 5.08 -0.07 4.11 -1.09 -1.26 -2.51 121.20 127.48 3kaa s ILE 111 Ca 0.10 0.97 0.01 0.00 -2.23 0.00 0.00 60.65 59.50 3kaa s ILE 111 Cb -0.16 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3kaa s ILE 111 CO -0.33 0.42 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.18 3kaa s LYS 112 N -0.04 2.77 0.00 2.79 -0.14 -1.09 -5.00 119.74 119.03 3kaa s LYS 112 Ca 0.26 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.29 3kaa s LYS 112 Cb -0.16 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.42 3kaa s LYS 112 CO 0.12 0.62 0.15 0.00 -0.76 0.00 0.00 175.35 175.49