#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmk s PHE 2 N 0.00 2.99 0.01 0.66 0.08 0.79 -4.94 117.98 117.57 2kmk s PHE 2 Ca 0.00 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.53 2kmk s PHE 2 Cb 0.00 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 2kmk s PHE 2 CO 0.00 -0.25 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.33 2kmk s ASP 3 N 0.88 4.91 -0.09 1.36 1.11 -1.26 0.89 116.67 124.47 2kmk s ASP 3 Ca -0.00 -0.08 -0.25 0.00 0.18 0.00 0.00 52.55 52.40 2kmk s ASP 3 Cb -0.14 -1.22 -0.03 0.00 1.07 0.00 0.00 42.92 42.60 2kmk s ASP 3 CO 0.01 0.27 0.79 0.00 1.18 0.00 0.00 175.17 177.43 2kmk n LYS 5 N 4.27 2.17 0.00 0.00 5.02 -1.26 -3.95 118.16 124.41 2kmk n LYS 5 Ca 0.02 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 2kmk n LYS 5 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 2kmk n LYS 5 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2kmk n ILE 6 N -0.43 0.00 0.00 -0.18 2.08 -1.26 -4.96 119.36 114.61 2kmk n ILE 6 Ca 0.47 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.78 2kmk n ILE 6 Cb 0.83 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.50 2kmk n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kmk n GLY 8 N 1.42 1.00 3.15 0.00 0.00 -1.25 -5.15 105.19 104.35 2kmk n GLY 8 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2kmk n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmk s LYS 9 N 0.00 0.77 0.19 1.61 1.02 -1.26 -5.02 119.74 117.04 2kmk s LYS 9 Ca 0.00 -1.28 0.10 0.00 0.02 0.00 0.00 55.97 54.81 2kmk s LYS 9 Cb 0.00 -0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 2kmk s LYS 9 CO 0.00 -0.04 -0.15 -1.54 -0.92 0.00 0.00 175.35 172.70 2kmk s SER 10 N -2.96 3.91 -0.04 2.83 1.04 -1.26 -1.50 113.70 115.72 2kmk s SER 10 Ca 0.10 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.84 2kmk s SER 10 Cb 0.05 -0.52 0.01 0.00 0.10 0.00 0.00 66.02 65.66 2kmk s SER 10 CO -0.06 0.11 -0.09 -0.36 0.98 0.00 0.00 173.24 173.82 2kmk s PHE 11 N -1.71 1.05 -0.05 5.02 0.08 0.26 -4.97 117.98 117.65 2kmk s PHE 11 Ca 0.23 -0.32 0.24 0.00 0.12 0.00 0.00 56.93 57.20 2kmk s PHE 11 Cb -0.08 -0.80 0.72 0.00 -0.57 0.00 0.00 43.02 42.29 2kmk s PHE 11 CO 0.13 -0.19 1.74 0.87 -0.10 0.00 0.00 175.22 177.67 2kmk h LYS 12 N 6.85 0.00 -6.06 0.44 1.79 -1.96 0.22 116.57 117.86 2kmk h LYS 12 Ca -0.34 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.44 2kmk h LYS 12 Cb 1.17 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.53 2kmk h LYS 12 CO 0.48 0.19 -0.85 1.03 -1.08 0.00 0.00 179.45 179.22 2kmk s ARG 13 N -3.43 2.59 0.32 3.15 3.00 -1.26 -4.77 118.95 118.55 2kmk s ARG 13 Ca 0.03 -0.84 0.04 0.00 0.00 0.00 0.00 55.73 54.95 2kmk s ARG 13 Cb 0.08 -2.24 0.54 0.00 0.00 0.00 0.00 34.95 33.33 2kmk s ARG 13 CO 0.65 0.43 1.82 1.03 0.00 0.00 0.00 175.30 179.23 2kmk h SER 14 N 5.93 0.47 -0.77 0.23 0.87 -1.97 -1.89 113.55 116.42 2kmk h SER 14 Ca -0.35 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.12 2kmk h SER 14 Cb 1.17 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 2kmk h SER 14 CO 0.49 0.61 0.51 0.77 -0.53 0.00 0.00 176.83 178.68 2kmk h SER 15 N 0.46 0.85 0.70 6.23 4.64 -1.98 1.25 113.55 125.70 2kmk h SER 15 Ca 0.09 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 2kmk h SER 15 Cb 0.45 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2kmk h SER 15 CO 0.02 0.60 -0.68 0.74 -0.87 0.00 0.00 176.83 176.65 2kmk h THR 16 N 0.99 1.47 0.01 2.95 2.02 -1.83 -0.57 112.91 117.96 2kmk h THR 16 Ca 0.30 -2.33 -0.00 0.00 0.77 0.00 0.00 66.41 65.14 2kmk h THR 16 Cb -0.03 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2kmk h THR 16 CO -0.08 0.66 -0.01 0.25 0.37 0.00 0.00 175.52 176.72 2kmk h LEU 17 N 0.00 -0.02 -0.08 2.58 5.85 -0.22 -0.27 115.31 123.16 2kmk h LEU 17 Ca -0.01 -0.60 0.02 0.00 0.84 0.00 0.00 57.88 58.14 2kmk h LEU 17 Cb 1.21 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2kmk h LEU 17 CO 0.09 0.60 -0.48 0.28 -0.34 0.00 0.00 178.44 178.59 2kmk h SER 18 N -0.64 -1.50 -0.90 1.25 0.02 0.16 1.17 113.55 113.10 2kmk h SER 18 Ca -0.00 0.17 0.18 0.00 -0.84 0.00 0.00 61.79 61.30 2kmk h SER 18 Cb 0.61 0.58 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 2kmk h SER 18 CO 0.00 -0.44 0.59 0.74 -1.14 0.00 0.00 176.83 176.58 2kmk h THR 19 N -0.54 0.75 -0.26 -2.27 2.02 -1.14 0.27 112.91 111.74 2kmk h THR 19 Ca 0.02 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 2kmk h THR 19 Cb 0.61 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2kmk h THR 19 CO -0.36 0.10 -0.11 -0.74 0.37 0.00 0.00 175.52 174.78 2kmk h HIS 20 N 0.56 0.61 0.00 3.16 6.17 0.13 0.11 115.15 125.88 2kmk h HIS 20 Ca 0.47 -0.15 -0.01 0.00 0.71 0.00 0.00 60.37 61.40 2kmk h HIS 20 Cb 0.95 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.74 2kmk h HIS 20 CO -0.00 0.78 -0.03 -0.07 0.71 0.00 0.00 177.93 179.31 2kmk h LEU 21 N 0.26 0.00 -0.99 0.26 3.38 0.35 0.86 115.31 119.43 2kmk h LEU 21 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2kmk h LEU 21 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2kmk h LEU 21 CO 0.04 0.03 -0.41 -0.07 0.09 0.00 0.00 178.44 178.12 2kmk h LEU 22 N 0.00 0.00 -0.47 1.67 3.38 0.54 -0.89 115.31 119.53 2kmk h LEU 22 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kmk h LEU 22 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2kmk h LEU 22 CO 0.00 0.41 0.22 0.40 0.09 0.00 0.00 178.44 179.57 2kmk h ILE 23 N 0.00 1.19 0.48 1.22 2.04 0.33 0.85 117.51 123.63 2kmk h ILE 23 Ca -0.00 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2kmk h ILE 23 Cb 0.88 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2kmk h ILE 23 CO 0.05 0.21 -0.23 0.45 0.00 0.00 0.00 178.15 178.64 2kmk h HIS 24 N 0.62 -0.60 0.00 1.37 3.86 -1.21 -2.91 115.15 116.28 2kmk h HIS 24 Ca 0.16 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2kmk h HIS 24 Cb 0.14 0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2kmk h HIS 24 CO -0.01 -0.34 0.05 0.43 0.86 0.00 0.00 177.93 178.92 2kmk n SER 25 N -5.21 0.26 -3.71 2.45 7.64 -0.36 -4.83 113.62 109.85 2kmk n SER 25 Ca -0.09 0.59 -0.30 0.00 1.01 0.00 0.00 58.87 60.09 2kmk n SER 25 Cb 0.27 -0.62 0.04 0.00 -1.01 0.00 0.00 64.21 62.89 2kmk n SER 25 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kmk n ASP 26 N -1.84 -4.41 -4.48 6.43 8.00 0.29 -4.89 116.55 115.65 2kmk n ASP 26 Ca -0.01 -1.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.07 2kmk n ASP 26 Cb 0.06 -3.43 -0.05 0.00 -0.02 0.00 0.00 41.12 37.68 2kmk n ASP 26 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2kmk s THR 27 N -3.54 4.64 -0.66 -3.53 2.01 -0.99 -4.97 115.64 108.60 2kmk s THR 27 Ca 0.38 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.31 2kmk s THR 27 Cb -0.13 -4.41 0.17 0.00 0.01 0.00 0.00 72.50 68.13 2kmk s THR 27 CO 0.86 -0.95 0.47 -0.13 -0.69 0.00 0.00 174.62 174.17 2kmk s ARG 28 N 3.26 2.24 -0.03 4.92 3.00 -1.26 -4.61 118.95 126.47 2kmk s ARG 28 Ca 0.22 -3.16 0.04 0.00 0.00 0.00 0.00 55.73 52.83 2kmk s ARG 28 Cb -0.16 -3.15 0.15 0.00 0.00 0.00 0.00 34.95 31.80 2kmk s ARG 28 CO 0.15 -1.29 0.90 -0.35 0.00 0.00 0.00 175.30 174.71 2kmk n PRO 29 N 2.13 1.60 -3.90 3.54 -0.04 -1.22 -4.59 135.00 132.52 2kmk n PRO 29 Ca 0.21 -0.59 -0.30 0.00 -0.04 0.00 0.00 63.50 62.77 2kmk n PRO 29 Cb 0.37 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 2kmk n PRO 29 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2kmk s TYR 30 N -1.54 3.36 -0.05 0.54 2.02 -0.73 -5.00 117.35 115.94 2kmk s TYR 30 Ca 0.11 -3.18 -0.27 0.00 -0.37 0.00 0.00 57.07 53.35 2kmk s TYR 30 Cb 0.07 -2.84 -0.03 0.00 -0.40 0.00 0.00 41.96 38.76 2kmk s TYR 30 CO 0.05 -0.69 0.86 -1.25 -1.57 0.00 0.00 175.55 172.95 2kmk s PRO 31 N -0.69 4.47 0.35 -1.71 0.04 -1.26 0.00 135.00 136.20 2kmk s PRO 31 Ca 0.20 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 2kmk s PRO 31 Cb -0.18 -3.48 -0.13 0.00 0.04 0.00 0.00 34.50 30.75 2kmk s PRO 31 CO -0.06 -0.06 0.79 0.00 0.04 0.00 0.00 177.00 177.70 2kmk n GLN 33 N 0.61 0.10 0.00 0.00 0.00 -1.26 -3.51 117.38 113.33 2kmk n GLN 33 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.18 2kmk n GLN 33 Cb 0.35 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 28.99 2kmk n GLN 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2kmk n TYR 34 N -1.77 0.00 0.66 2.61 4.02 -1.26 -4.76 117.16 116.66 2kmk n TYR 34 Ca 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.96 2kmk n TYR 34 Cb 0.37 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.78 2kmk n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kmk n GLY 36 N 0.16 0.01 3.21 0.00 0.00 -1.23 -4.91 105.19 102.44 2kmk n GLY 36 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2kmk n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kmk n LYS 37 N 0.09 -2.09 -4.44 1.61 4.81 -1.26 -3.85 118.16 113.02 2kmk n LYS 37 Ca -0.00 -0.60 -0.20 0.00 -0.87 0.00 0.00 58.31 56.64 2kmk n LYS 37 Cb 0.07 -1.68 -0.14 0.00 0.02 0.00 0.00 35.03 33.30 2kmk n LYS 37 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2kmk s ARG 38 N -3.61 0.92 0.31 1.64 0.52 -1.26 0.13 118.95 117.59 2kmk s ARG 38 Ca 0.52 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 55.26 2kmk s ARG 38 Cb -0.11 -0.89 -0.06 0.00 0.52 0.00 0.00 34.95 34.41 2kmk s ARG 38 CO 0.57 0.24 0.00 -0.06 0.02 0.00 0.00 175.30 176.07 2kmk s PHE 39 N -0.48 1.98 -0.10 -0.53 0.08 0.10 -4.96 117.98 114.07 2kmk s PHE 39 Ca 0.03 -0.82 0.20 0.00 0.12 0.00 0.00 56.93 56.46 2kmk s PHE 39 Cb -0.06 -1.23 -0.29 0.00 -0.57 0.00 0.00 43.02 40.87 2kmk s PHE 39 CO 0.00 0.16 0.30 1.58 -0.10 0.00 0.00 175.22 177.16 2kmk n HIS 40 N -0.65 0.00 -4.05 0.36 -0.00 -1.26 -1.77 115.22 107.85 2kmk n HIS 40 Ca -0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.35 2kmk n HIS 40 Cb 0.65 -0.69 -0.15 0.00 -0.00 0.00 0.00 29.99 29.80 2kmk n HIS 40 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2kmk s GLN 41 N -3.06 2.84 0.04 1.57 -0.21 -1.26 -4.72 119.66 114.86 2kmk s GLN 41 Ca -0.09 -0.95 -0.08 0.00 0.02 0.00 0.00 55.36 54.26 2kmk s GLN 41 Cb 0.10 -2.78 -0.02 0.00 1.00 0.00 0.00 33.01 31.31 2kmk s GLN 41 CO 0.85 -0.33 0.85 1.17 -2.12 0.00 0.00 175.29 175.71 2kmk n LYS 42 N 4.61 -0.12 -0.30 2.91 4.81 -1.26 0.18 118.16 128.99 2kmk n LYS 42 Ca -0.18 0.84 0.32 0.00 -0.87 0.00 0.00 58.31 58.42 2kmk n LYS 42 Cb 0.48 -1.24 0.70 0.00 0.02 0.00 0.00 35.03 34.99 2kmk n LYS 42 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kmk h SER 43 N 0.00 0.08 -0.22 3.14 4.64 -1.97 0.74 113.55 119.96 2kmk h SER 43 Ca 0.04 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 2kmk h SER 43 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2kmk h SER 43 CO -0.25 0.01 -0.25 0.44 -0.87 0.00 0.00 176.83 175.91 2kmk h ASP 44 N 0.07 0.60 -0.27 4.97 3.32 0.16 -0.03 116.42 125.24 2kmk h ASP 44 Ca 0.55 -0.49 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2kmk h ASP 44 Cb 2.06 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.43 2kmk h ASP 44 CO -0.06 0.97 0.05 -0.03 -1.72 0.00 0.00 179.24 178.45 2kmk h MET 45 N 0.24 0.44 -0.94 3.56 1.85 0.13 -0.98 114.93 119.23 2kmk h MET 45 Ca 0.03 -0.11 0.16 0.00 -0.61 0.00 0.00 59.70 59.16 2kmk h MET 45 Cb 0.81 -0.05 -0.08 0.00 0.43 0.00 0.00 31.60 32.71 2kmk h MET 45 CO 0.06 0.55 0.60 -0.22 -0.40 0.00 0.00 176.91 177.49 2kmk h LYS 46 N 0.26 0.70 -0.24 0.39 1.63 0.19 2.44 116.57 121.94 2kmk h LYS 46 Ca 0.08 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 2kmk h LYS 46 Cb 0.32 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2kmk h LYS 46 CO 0.00 0.47 -0.08 0.87 -3.45 0.00 0.00 179.45 177.26 2kmk h LYS 47 N 0.73 0.37 0.41 1.90 1.57 -0.23 0.11 116.57 121.44 2kmk h LYS 47 Ca 0.49 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 2kmk h LYS 47 Cb 0.78 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2kmk h LYS 47 CO -0.25 0.46 -0.20 1.25 -0.57 0.00 0.00 179.45 180.15 2kmk h HIS 48 N 0.35 -0.51 -1.25 -1.35 2.76 0.49 -2.07 115.15 113.57 2kmk h HIS 48 Ca 0.07 -0.01 0.40 0.00 -2.20 0.00 0.00 60.37 58.63 2kmk h HIS 48 Cb 0.36 0.17 -0.12 0.00 1.55 0.00 0.00 27.41 29.37 2kmk h HIS 48 CO 0.01 -0.32 0.81 1.79 -1.30 0.00 0.00 177.93 178.92 2kmk h THR 49 N -0.89 0.21 -0.11 6.26 1.35 0.12 2.57 112.91 122.41 2kmk h THR 49 Ca -0.06 -0.05 -0.10 0.00 -0.55 0.00 0.00 66.41 65.65 2kmk h THR 49 Cb 0.42 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 2kmk h THR 49 CO 0.09 0.03 -0.39 -0.26 -0.25 0.00 0.00 175.52 174.74 2kmk h PHE 50 N 0.15 0.28 -0.13 4.73 -1.00 -0.60 -1.25 116.94 119.12 2kmk h PHE 50 Ca 0.77 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 61.42 2kmk h PHE 50 Cb 2.33 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 41.82 2kmk h PHE 50 CO -0.00 0.60 -0.16 -0.84 -1.61 0.00 0.00 178.31 176.30 2kmk h ILE 51 N 0.21 1.18 0.04 -0.55 3.07 0.52 0.45 117.51 122.43 2kmk h ILE 51 Ca 0.02 -0.82 -0.23 0.00 1.55 0.00 0.00 64.86 65.38 2kmk h ILE 51 Cb 0.78 1.26 -0.01 0.00 -0.27 0.00 0.00 36.82 38.59 2kmk h ILE 51 CO 0.06 0.25 -1.01 0.45 -1.05 0.00 0.00 178.15 176.85 2kmk h HIS 52 N 0.20 0.36 -0.00 0.16 3.86 -0.85 -3.17 115.15 115.70 2kmk h HIS 52 Ca 0.04 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2kmk h HIS 52 Cb 0.40 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2kmk h HIS 52 CO 0.01 1.09 -0.26 0.25 0.86 0.00 0.00 177.93 179.88 2kmk n THR 53 N -3.59 0.00 -3.34 2.45 -2.24 -0.55 -4.95 114.28 102.07 2kmk n THR 53 Ca -0.05 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2kmk n THR 53 Cb 0.89 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2kmk n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kmk n GLY 54 N 1.39 -1.27 3.34 3.38 0.00 0.15 -4.97 105.19 107.22 2kmk n GLY 54 Ca 0.10 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 2kmk n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kmk s GLU 55 N -3.75 3.31 -0.42 1.61 2.02 -0.55 -5.03 118.70 115.89 2kmk s GLU 55 Ca 0.01 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.31 2kmk s GLU 55 Cb -0.00 -2.56 0.17 0.00 0.10 0.00 0.00 34.13 31.83 2kmk s GLU 55 CO 0.80 0.21 0.34 0.15 0.02 0.00 0.00 175.26 176.78 2kmk s LYS 56 N 0.33 0.96 0.00 1.61 1.02 -1.26 -4.39 119.74 118.02 2kmk s LYS 56 Ca -0.12 -2.11 0.00 0.00 0.02 0.00 0.00 55.97 53.75 2kmk s LYS 56 Cb -0.16 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 2kmk s LYS 56 CO 0.06 -1.37 0.54 -0.35 -0.92 0.00 0.00 175.35 173.32 2kmk n PRO 57 N 2.90 0.67 -3.81 -1.68 -0.04 -1.19 -4.32 135.00 127.53 2kmk n PRO 57 Ca 0.28 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.42 2kmk n PRO 57 Cb 0.46 -1.12 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 2kmk n PRO 57 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kmk s HIS 58 N -1.63 3.57 0.08 0.54 3.76 -0.72 -4.97 115.29 115.93 2kmk s HIS 58 Ca 0.00 -3.13 -0.22 0.00 -0.15 0.00 0.00 55.06 51.56 2kmk s HIS 58 Cb 0.00 -2.95 -0.07 0.00 1.11 0.00 0.00 32.58 30.67 2kmk s HIS 58 CO 0.00 -0.68 0.66 0.15 -0.85 0.00 0.00 174.74 174.02 2kmk s LYS 59 N -1.03 4.36 -0.28 1.40 1.02 -1.26 -0.19 119.74 123.76 2kmk s LYS 59 Ca 0.23 0.90 -0.12 0.00 0.02 0.00 0.00 55.97 57.00 2kmk s LYS 59 Cb -0.11 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 2kmk s LYS 59 CO -0.11 0.53 0.22 0.00 -0.92 0.00 0.00 175.35 175.07 2kmk n GLN 61 N 5.10 1.85 -0.09 0.00 1.13 -1.26 -2.10 117.38 122.00 2kmk n GLN 61 Ca -0.13 -0.81 -0.12 0.00 -1.94 0.00 0.00 57.00 54.00 2kmk n GLN 61 Cb 0.52 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 29.31 2kmk n GLN 61 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2kmk n VAL 62 N 0.14 1.48 0.24 5.09 0.31 -1.26 -4.74 118.33 119.59 2kmk n VAL 62 Ca 0.07 0.07 0.03 0.00 -0.01 0.00 0.00 64.34 64.49 2kmk n VAL 62 Cb 0.39 -2.25 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 2kmk n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kmk n GLY 64 N 0.93 0.35 3.86 0.00 0.00 -0.89 -5.08 105.19 104.35 2kmk n GLY 64 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2kmk n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kmk s LYS 65 N -0.98 3.89 0.05 1.61 2.20 -1.25 -4.79 119.74 120.47 2kmk s LYS 65 Ca 0.00 0.66 0.09 0.00 -0.36 0.00 0.00 55.97 56.36 2kmk s LYS 65 Cb 0.00 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.97 2kmk s LYS 65 CO 0.00 -0.05 -0.25 0.00 -0.36 0.00 0.00 175.35 174.69 2kmk s ALA 66 N -2.34 2.16 0.21 3.13 0.00 -1.26 -0.55 121.76 123.11 2kmk s ALA 66 Ca 0.54 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2kmk s ALA 66 Cb -0.10 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2kmk s ALA 66 CO 0.27 0.50 -0.10 -0.06 0.00 0.00 0.00 175.76 176.38 2kmk s PHE 67 N -0.83 1.65 -0.00 0.00 0.08 0.73 -4.95 117.98 114.66 2kmk s PHE 67 Ca 0.11 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 2kmk s PHE 67 Cb -0.10 -0.85 -0.27 0.00 -0.57 0.00 0.00 43.02 41.23 2kmk s PHE 67 CO 0.02 0.23 0.82 1.03 -0.10 0.00 0.00 175.22 177.23 2kmk h SER 68 N 2.53 0.37 -3.94 1.36 0.87 -1.88 -1.89 113.55 110.98 2kmk h SER 68 Ca -0.38 -0.54 -0.69 0.00 -1.23 0.00 0.00 61.79 58.96 2kmk h SER 68 Cb 1.22 -0.12 -0.22 0.00 -0.44 0.00 0.00 62.40 62.84 2kmk h SER 68 CO 0.64 1.45 -0.76 -1.10 -0.53 0.00 0.00 176.83 176.52 2kmk s GLN 69 N -2.61 2.43 0.12 2.24 -0.21 -1.26 -4.72 119.66 115.65 2kmk s GLN 69 Ca -0.09 -0.75 -0.18 0.00 0.02 0.00 0.00 55.36 54.36 2kmk s GLN 69 Cb 0.07 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 2kmk s GLN 69 CO 0.85 0.61 1.67 1.03 -2.12 0.00 0.00 175.29 177.32 2kmk h SER 70 N 5.05 0.42 -1.03 5.90 0.87 -1.98 -1.26 113.55 121.53 2kmk h SER 70 Ca -0.47 -0.16 0.34 0.00 -1.23 0.00 0.00 61.79 60.27 2kmk h SER 70 Cb 1.16 -0.11 -0.15 0.00 -0.44 0.00 0.00 62.40 62.86 2kmk h SER 70 CO 0.50 0.46 0.59 0.77 -0.53 0.00 0.00 176.83 178.63 2kmk h SER 71 N 0.35 0.47 0.58 6.23 4.64 -1.97 2.28 113.55 126.14 2kmk h SER 71 Ca 0.10 0.19 -0.20 0.00 -0.47 0.00 0.00 61.79 61.41 2kmk h SER 71 Cb 0.17 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2kmk h SER 71 CO -0.01 -0.17 -0.90 0.78 -0.87 0.00 0.00 176.83 175.67 2kmk h ASN 72 N 0.27 0.27 0.17 4.97 4.21 -1.70 -0.52 115.58 123.25 2kmk h ASN 72 Ca 0.75 -0.22 -0.01 0.00 1.21 0.00 0.00 56.30 58.03 2kmk h ASN 72 Cb 1.80 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.92 2kmk h ASN 72 CO -0.60 1.03 -0.08 0.25 -1.29 0.00 0.00 177.43 176.74 2kmk h LEU 73 N 0.11 -0.19 -0.49 1.61 5.85 0.41 0.17 115.31 122.79 2kmk h LEU 73 Ca -0.05 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.42 2kmk h LEU 73 Cb 1.53 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.51 2kmk h LEU 73 CO 0.14 0.29 -0.34 0.40 -0.34 0.00 0.00 178.44 178.59 2kmk h ILE 74 N -0.74 0.19 -0.34 4.05 2.04 0.23 0.72 117.51 123.66 2kmk h ILE 74 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kmk h ILE 74 Cb 0.51 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2kmk h ILE 74 CO 0.04 0.00 0.22 0.74 0.00 0.00 0.00 178.15 179.15 2kmk h THR 75 N -0.22 1.09 -0.35 -0.27 2.02 -1.06 0.34 112.91 114.46 2kmk h THR 75 Ca 0.20 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.26 2kmk h THR 75 Cb 0.55 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 2kmk h THR 75 CO -0.61 0.09 0.08 -0.74 0.37 0.00 0.00 175.52 174.71 2kmk h HIS 76 N 0.46 0.14 -0.15 3.16 -0.00 0.15 0.10 115.15 119.02 2kmk h HIS 76 Ca 0.12 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.41 2kmk h HIS 76 Cb -0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 2kmk h HIS 76 CO -0.05 0.04 -0.36 1.03 -0.00 0.00 0.00 177.93 178.58 2kmk h SER 77 N 0.21 0.31 -0.62 3.26 0.87 0.71 -1.04 113.55 117.24 2kmk h SER 77 Ca 0.17 -0.12 0.16 0.00 -1.23 0.00 0.00 61.79 60.77 2kmk h SER 77 Cb 0.18 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 2kmk h SER 77 CO -0.21 0.65 0.44 0.03 -0.53 0.00 0.00 176.83 177.21 2kmk h ARG 78 N 0.26 0.13 -0.00 2.24 3.08 0.15 0.16 114.38 120.40 2kmk h ARG 78 Ca 0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kmk h ARG 78 Cb 0.76 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2kmk h ARG 78 CO 0.06 0.08 -0.01 0.87 -1.07 0.00 0.00 179.97 179.90 2kmk h LYS 79 N 0.13 0.01 0.53 0.04 1.57 0.16 0.80 116.57 119.82 2kmk h LYS 79 Ca 0.30 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2kmk h LYS 79 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2kmk h LYS 79 CO -0.04 0.68 -0.42 0.45 -0.57 0.00 0.00 179.45 179.55 2kmk h HIS 80 N -0.66 -1.16 0.16 -1.35 3.86 -0.49 -2.94 115.15 112.57 2kmk h HIS 80 Ca -0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2kmk h HIS 80 Cb 0.68 0.43 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 2kmk h HIS 80 CO 0.16 -0.59 -0.18 1.15 0.86 0.00 0.00 177.93 179.33 2kmk h THR 81 N -0.93 0.61 0.00 2.45 2.02 -0.94 -3.52 112.91 112.60 2kmk h THR 81 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2kmk h THR 81 Cb 0.77 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2kmk h THR 81 CO 0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.51