#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 3.54 -0.11 7.33 0.40 0.29 -4.84 117.98 124.60 2kmk s PHE 2 Ca 0.00 1.26 -0.02 0.00 -0.60 0.00 0.00 56.93 57.57 2kmk s PHE 2 Cb 0.00 -2.87 -0.03 0.00 0.51 0.00 0.00 43.02 40.63 2kmk s PHE 2 CO 0.00 0.00 -0.02 0.34 0.70 0.00 0.00 175.22 176.24 2kmk s ASP 3 N 0.91 4.99 0.05 1.36 -1.08 -1.26 0.41 116.67 122.04 2kmk s ASP 3 Ca 0.38 0.02 -0.31 0.00 -0.52 0.00 0.00 52.55 52.13 2kmk s ASP 3 Cb -0.18 -1.52 -0.07 0.00 -1.46 0.00 0.00 42.92 39.70 2kmk s ASP 3 CO 0.17 0.30 1.47 0.00 0.52 0.00 0.00 175.17 177.63 2kmk n LYS 5 N 5.01 2.35 0.00 0.00 4.01 -1.26 -4.01 118.16 124.26 2kmk n LYS 5 Ca 0.13 -1.93 0.00 0.00 -0.51 0.00 0.00 58.31 56.00 2kmk n LYS 5 Cb 0.42 -1.82 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 2kmk n LYS 5 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2kmk n ILE 6 N -0.23 0.00 -0.03 -0.18 5.41 -1.26 -4.96 119.36 118.11 2kmk n ILE 6 Ca 0.31 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.85 2kmk n ILE 6 Cb 1.11 -0.66 -0.13 0.00 -0.71 0.00 0.00 39.64 39.25 2kmk n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kmk n GLY 8 N 1.66 0.69 3.30 0.00 0.00 -1.26 -5.12 105.19 104.46 2kmk n GLY 8 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2kmk n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kmk s LYS 9 N 0.00 1.18 0.34 1.61 2.20 -1.26 -4.96 119.74 118.85 2kmk s LYS 9 Ca 0.00 -1.37 0.08 0.00 -0.36 0.00 0.00 55.97 54.32 2kmk s LYS 9 Cb 0.00 -1.10 -0.05 0.00 -1.51 0.00 0.00 37.83 35.18 2kmk s LYS 9 CO 0.00 0.21 0.10 -1.12 -0.36 0.00 0.00 175.35 174.17 2kmk s SER 10 N -2.71 4.49 -0.06 1.43 0.01 -1.26 -0.34 113.70 115.26 2kmk s SER 10 Ca 0.14 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.52 2kmk s SER 10 Cb -0.04 -0.65 0.04 0.00 0.21 0.00 0.00 66.02 65.58 2kmk s SER 10 CO 0.05 -0.28 0.11 -0.36 0.41 0.00 0.00 173.24 173.17 2kmk s PHE 11 N -2.47 -0.09 0.51 2.43 0.40 0.16 -4.94 117.98 113.98 2kmk s PHE 11 Ca 0.37 0.41 0.30 0.00 -0.60 0.00 0.00 56.93 57.41 2kmk s PHE 11 Cb -0.01 -0.25 1.69 0.00 0.51 0.00 0.00 43.02 44.96 2kmk s PHE 11 CO 0.21 -0.19 2.18 0.87 0.70 0.00 0.00 175.22 178.99 2kmk h LYS 12 N 7.85 0.00 -6.39 0.44 1.79 -1.94 0.86 116.57 119.18 2kmk h LYS 12 Ca -0.28 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.50 2kmk h LYS 12 Cb 1.12 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.47 2kmk h LYS 12 CO 0.29 0.06 -0.88 1.03 -1.08 0.00 0.00 179.45 178.86 2kmk s ARG 13 N -4.38 2.28 0.25 3.15 1.81 -1.26 -3.61 118.95 117.20 2kmk s ARG 13 Ca -0.04 -0.91 -0.03 0.00 -1.72 0.00 0.00 55.73 53.03 2kmk s ARG 13 Cb 0.14 -2.10 0.30 0.00 -0.45 0.00 0.00 34.95 32.84 2kmk s ARG 13 CO 0.55 0.50 1.78 0.66 -0.68 0.00 0.00 175.30 178.11 2kmk h SER 14 N 5.68 0.85 -0.30 0.23 4.64 -1.96 -1.63 113.55 121.06 2kmk h SER 14 Ca -0.39 -0.18 0.05 0.00 -0.47 0.00 0.00 61.79 60.80 2kmk h SER 14 Cb 1.14 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 2kmk h SER 14 CO 0.47 0.86 0.02 0.77 -0.87 0.00 0.00 176.83 178.08 2kmk h SER 15 N 0.86 -0.06 -0.77 4.97 4.64 -1.96 1.09 113.55 122.32 2kmk h SER 15 Ca 0.18 0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.64 2kmk h SER 15 Cb 0.37 0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 2kmk h SER 15 CO 0.01 0.00 0.50 0.71 -0.87 0.00 0.00 176.83 177.18 2kmk h THR 16 N 0.12 0.99 -0.15 2.95 1.35 -1.82 0.50 112.91 116.84 2kmk h THR 16 Ca 0.14 -0.26 -0.15 0.00 -0.55 0.00 0.00 66.41 65.59 2kmk h THR 16 Cb 0.17 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 2kmk h THR 16 CO -0.22 0.14 -0.53 0.25 -0.25 0.00 0.00 175.52 174.91 2kmk h LEU 17 N 0.76 0.48 0.86 3.87 5.85 0.34 -2.01 115.31 125.46 2kmk h LEU 17 Ca 0.34 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2kmk h LEU 17 Cb 0.34 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2kmk h LEU 17 CO -0.12 0.92 -0.47 0.77 -0.34 0.00 0.00 178.44 179.21 2kmk h SER 18 N 0.34 -1.14 -0.85 1.25 4.64 0.59 1.14 113.55 119.52 2kmk h SER 18 Ca 0.01 0.05 0.19 0.00 -0.47 0.00 0.00 61.79 61.57 2kmk h SER 18 Cb 1.04 0.31 -0.06 0.00 -0.31 0.00 0.00 62.40 63.39 2kmk h SER 18 CO 0.09 -0.75 0.56 0.74 -0.87 0.00 0.00 176.83 176.61 2kmk h THR 19 N -1.22 0.71 -0.20 2.95 2.02 -1.11 0.53 112.91 116.59 2kmk h THR 19 Ca -0.12 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 2kmk h THR 19 Cb 0.96 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2kmk h THR 19 CO 0.16 0.07 -0.10 -0.74 0.37 0.00 0.00 175.52 175.28 2kmk h HIS 20 N 0.38 0.48 -0.67 3.16 6.17 -0.54 -0.77 115.15 123.37 2kmk h HIS 20 Ca 0.43 -0.12 0.05 0.00 0.71 0.00 0.00 60.37 61.44 2kmk h HIS 20 Cb 1.08 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 30.86 2kmk h HIS 20 CO -0.00 0.71 0.44 -0.07 0.71 0.00 0.00 177.93 179.72 2kmk h LEU 21 N 0.12 0.63 -1.22 0.26 3.38 0.54 0.45 115.31 119.47 2kmk h LEU 21 Ca 0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2kmk h LEU 21 Cb 0.59 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2kmk h LEU 21 CO 0.03 0.42 0.14 -0.07 0.09 0.00 0.00 178.44 179.05 2kmk h LEU 22 N 0.72 0.63 -1.51 1.67 3.38 0.45 -0.24 115.31 120.41 2kmk h LEU 22 Ca 0.28 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2kmk h LEU 22 Cb 0.20 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2kmk h LEU 22 CO -0.09 0.61 0.41 0.40 0.09 0.00 0.00 178.44 179.86 2kmk h ILE 23 N 0.67 0.99 0.15 1.22 2.04 0.14 0.68 117.51 123.40 2kmk h ILE 23 Ca 0.16 -0.20 -0.29 0.00 1.00 0.00 0.00 64.86 65.52 2kmk h ILE 23 Cb 0.21 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2kmk h ILE 23 CO -0.01 0.11 -1.36 0.45 0.00 0.00 0.00 178.15 177.34 2kmk h HIS 24 N 0.59 0.57 0.00 1.37 3.86 -0.82 -3.39 115.15 117.35 2kmk h HIS 24 Ca 0.27 -0.42 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2kmk h HIS 24 Cb 0.30 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 2kmk h HIS 24 CO -0.00 1.36 -0.18 0.77 0.86 0.00 0.00 177.93 180.74 2kmk h SER 25 N 0.09 0.00 -0.29 2.45 0.02 -0.61 -3.50 113.55 111.72 2kmk h SER 25 Ca -0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2kmk h SER 25 Cb 2.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.56 2kmk h SER 25 CO 0.21 0.60 0.00 -0.90 -1.14 0.00 0.00 176.83 175.59 2kmk n ASP 26 N -4.72 -0.23 -0.08 3.07 5.75 0.23 -5.02 116.55 115.55 2kmk n ASP 26 Ca -0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.65 2kmk n ASP 26 Cb 0.10 -0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 2kmk n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kmk h THR 27 N 0.00 1.19 -6.71 2.12 1.03 -1.95 -3.47 112.91 105.13 2kmk h THR 27 Ca 0.00 -0.59 -0.45 0.00 -0.01 0.00 0.00 66.41 65.36 2kmk h THR 27 Cb 0.12 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.31 2kmk h THR 27 CO 0.00 0.19 -0.88 0.54 -0.01 0.00 0.00 175.52 175.36 2kmk n ARG 28 N -4.76 -0.88 -0.22 0.00 5.12 -1.26 -4.81 116.66 109.84 2kmk n ARG 28 Ca -0.03 0.33 0.05 0.00 -1.93 0.00 0.00 57.85 56.27 2kmk n ARG 28 Cb 0.15 -1.81 0.16 0.00 -1.16 0.00 0.00 32.46 29.80 2kmk n ARG 28 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2kmk n PRO 29 N -3.13 2.00 -3.85 5.56 -0.04 -1.20 -4.62 135.00 129.72 2kmk n PRO 29 Ca -0.19 -1.25 -0.31 0.00 -0.04 0.00 0.00 63.50 61.70 2kmk n PRO 29 Cb 0.52 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.61 3.42 -0.03 0.54 2.02 -0.83 -4.99 117.35 115.87 2kmk s TYR 30 Ca 0.23 -3.12 -0.25 0.00 -0.37 0.00 0.00 57.07 53.56 2kmk s TYR 30 Cb 0.13 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 2kmk s TYR 30 CO 0.13 -0.70 0.77 -1.25 -1.57 0.00 0.00 175.55 172.93 2kmk s PRO 31 N -0.71 4.47 0.31 -1.71 0.04 -1.26 0.28 135.00 136.42 2kmk s PRO 31 Ca 0.20 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 2kmk s PRO 31 Cb -0.17 -3.43 -0.13 0.00 0.04 0.00 0.00 34.50 30.81 2kmk s PRO 31 CO -0.07 0.09 1.18 0.00 0.04 0.00 0.00 177.00 178.24 2kmk h GLN 33 N 2.47 0.00 0.00 0.00 -0.00 -1.93 -3.26 115.11 112.38 2kmk h GLN 33 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2kmk h GLN 33 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 2kmk h GLN 33 CO 0.63 0.09 0.00 0.66 -0.00 0.00 0.00 178.83 180.21 2kmk n TYR 34 N -3.06 0.00 0.26 0.06 4.02 -1.26 -4.77 117.16 112.42 2kmk n TYR 34 Ca 0.03 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.04 2kmk n TYR 34 Cb 0.57 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 40.14 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 0.99 0.13 3.27 0.00 0.00 -1.23 -5.02 105.19 103.33 2kmk n GLY 36 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2kmk n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kmk n LYS 37 N -1.97 -1.32 -4.83 1.61 5.02 -1.26 -4.09 118.16 111.31 2kmk n LYS 37 Ca 0.00 -0.37 -0.27 0.00 -2.02 0.00 0.00 58.31 55.66 2kmk n LYS 37 Cb 0.00 -1.66 -0.16 0.00 -0.02 0.00 0.00 35.03 33.19 2kmk n LYS 37 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2kmk s ARG 38 N -3.35 1.94 0.36 1.97 3.00 -1.26 0.83 118.95 122.45 2kmk s ARG 38 Ca 0.55 -0.60 0.09 0.00 0.00 0.00 0.00 55.73 55.76 2kmk s ARG 38 Cb -0.11 -1.62 -0.07 0.00 0.00 0.00 0.00 34.95 33.15 2kmk s ARG 38 CO 0.66 0.18 -0.03 -0.06 0.00 0.00 0.00 175.30 176.05 2kmk s PHE 39 N 0.24 2.47 -2.35 -0.53 0.08 0.14 -4.96 117.98 113.08 2kmk s PHE 39 Ca -0.09 -0.54 0.20 0.00 0.12 0.00 0.00 56.93 56.63 2kmk s PHE 39 Cb -0.14 -1.54 0.27 0.00 -0.57 0.00 0.00 43.02 41.05 2kmk s PHE 39 CO 0.04 0.51 1.24 -2.39 -0.10 0.00 0.00 175.22 174.51 2kmk n HIS 40 N -0.89 0.23 -3.62 0.36 1.44 -1.26 -1.97 115.22 109.51 2kmk n HIS 40 Ca -0.05 -0.14 -0.14 0.00 -2.01 0.00 0.00 57.72 55.39 2kmk n HIS 40 Cb 0.64 -0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.62 2kmk n HIS 40 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2kmk s GLN 41 N -1.52 0.16 0.01 -1.40 -0.21 -1.26 -4.85 119.66 110.58 2kmk s GLN 41 Ca 0.29 0.65 -0.01 0.00 0.02 0.00 0.00 55.36 56.31 2kmk s GLN 41 Cb 0.19 -0.24 -0.00 0.00 1.00 0.00 0.00 33.01 33.95 2kmk s GLN 41 CO 0.27 -0.36 0.88 1.17 -2.12 0.00 0.00 175.29 175.13 2kmk n LYS 42 N 5.35 -0.02 -0.18 2.91 4.81 -1.26 0.11 118.16 129.87 2kmk n LYS 42 Ca -0.06 0.88 0.30 0.00 -0.87 0.00 0.00 58.31 58.56 2kmk n LYS 42 Cb 0.50 -1.31 0.70 0.00 0.02 0.00 0.00 35.03 34.93 2kmk n LYS 42 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2kmk h SER 43 N 0.00 0.00 -0.07 3.14 0.02 -1.97 0.85 113.55 115.51 2kmk h SER 43 Ca 0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 2kmk h SER 43 Cb 0.02 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.57 2kmk h SER 43 CO -0.04 0.00 -0.91 0.44 -1.14 0.00 0.00 176.83 175.18 2kmk h ASP 44 N 0.00 0.92 -0.12 3.07 3.32 0.31 -0.69 116.42 123.23 2kmk h ASP 44 Ca 0.44 -0.69 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 2kmk h ASP 44 Cb 2.04 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 41.31 2kmk h ASP 44 CO -0.00 1.48 -0.07 -0.03 -1.72 0.00 0.00 179.24 178.89 2kmk h MET 45 N 0.45 0.25 -0.94 3.56 1.85 0.19 -1.21 114.93 119.09 2kmk h MET 45 Ca -0.09 -0.12 0.18 0.00 -0.61 0.00 0.00 59.70 59.06 2kmk h MET 45 Cb 1.55 -0.01 -0.08 0.00 0.43 0.00 0.00 31.60 33.49 2kmk h MET 45 CO 0.18 0.61 0.60 -0.22 -0.40 0.00 0.00 176.91 177.68 2kmk h LYS 46 N -0.10 0.63 -0.23 0.39 3.64 -0.21 3.61 116.57 124.29 2kmk h LYS 46 Ca 0.03 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2kmk h LYS 46 Cb 0.54 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2kmk h LYS 46 CO 0.02 0.42 -0.02 0.87 -2.27 0.00 0.00 179.45 178.47 2kmk h LYS 47 N 0.65 0.34 0.33 1.90 1.57 -0.63 -0.07 116.57 120.67 2kmk h LYS 47 Ca 0.50 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.20 2kmk h LYS 47 Cb 0.90 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2kmk h LYS 47 CO -0.26 0.39 -0.16 1.25 -0.57 0.00 0.00 179.45 180.10 2kmk h HIS 48 N 0.33 -0.41 -1.16 -1.35 2.76 0.75 -2.15 115.15 113.91 2kmk h HIS 48 Ca 0.08 -0.01 0.44 0.00 -2.20 0.00 0.00 60.37 58.68 2kmk h HIS 48 Cb 0.26 0.14 -0.16 0.00 1.55 0.00 0.00 27.41 29.19 2kmk h HIS 48 CO 0.01 -0.25 0.69 0.25 -1.30 0.00 0.00 177.93 177.32 2kmk n THR 49 N -4.01 -0.35 0.02 6.26 -2.24 0.34 0.29 114.28 114.59 2kmk n THR 49 Ca -0.05 1.93 -0.07 0.00 -2.27 0.00 0.00 64.05 63.59 2kmk n THR 49 Cb 0.17 -3.15 0.11 0.00 -2.10 0.00 0.00 70.33 65.36 2kmk n THR 49 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2kmk h PHE 50 N 0.00 0.59 -0.03 4.78 -1.00 -0.92 -0.84 116.94 119.51 2kmk h PHE 50 Ca 0.86 -0.19 0.01 0.00 2.81 0.00 0.00 57.97 61.47 2kmk h PHE 50 Cb 2.50 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 41.94 2kmk h PHE 50 CO -0.01 0.87 0.13 -0.84 -1.61 0.00 0.00 178.31 176.85 2kmk h ILE 51 N 0.39 0.11 0.04 -0.55 3.07 0.49 -0.90 117.51 120.16 2kmk h ILE 51 Ca 0.02 0.00 -0.35 0.00 1.55 0.00 0.00 64.86 66.08 2kmk h ILE 51 Cb 0.98 0.87 -0.05 0.00 -0.27 0.00 0.00 36.82 38.35 2kmk h ILE 51 CO 0.09 0.00 -2.11 1.41 -1.05 0.00 0.00 178.15 176.49 2kmk n HIS 52 N -3.19 0.69 0.36 0.16 8.25 -0.50 -4.22 115.22 116.78 2kmk n HIS 52 Ca -0.02 0.18 0.14 0.00 -0.26 0.00 0.00 57.72 57.76 2kmk n HIS 52 Cb 0.21 -1.10 0.45 0.00 1.12 0.00 0.00 29.99 30.67 2kmk n HIS 52 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2kmk h THR 53 N 0.03 0.00 0.00 1.59 1.35 -0.40 -3.46 112.91 112.02 2kmk h THR 53 Ca -0.45 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2kmk h THR 53 Cb 2.03 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 2kmk h THR 53 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2kmk n GLY 54 N 0.56 0.75 3.63 5.82 0.00 -0.42 -5.00 105.19 110.53 2kmk n GLY 54 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.48 3.90 -0.57 1.61 2.02 -1.03 -4.93 118.70 119.21 2kmk s GLU 55 Ca 0.00 1.44 0.07 0.00 0.02 0.00 0.00 54.97 56.49 2kmk s GLU 55 Cb 0.00 -3.93 0.26 0.00 0.10 0.00 0.00 34.13 30.56 2kmk s GLU 55 CO 0.00 -1.15 0.72 1.63 0.02 0.00 0.00 175.26 176.48 2kmk n LYS 56 N 7.38 2.14 0.02 1.61 5.02 -1.26 -4.52 118.16 128.55 2kmk n LYS 56 Ca 0.16 -4.32 0.01 0.00 -2.02 0.00 0.00 58.31 52.14 2kmk n LYS 56 Cb 0.46 -2.00 0.06 0.00 -0.02 0.00 0.00 35.03 33.52 2kmk n LYS 56 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kmk n PRO 57 N 0.85 0.01 -3.31 1.97 -0.02 -1.22 -4.06 135.00 129.22 2kmk n PRO 57 Ca 0.28 0.44 -0.46 0.00 -2.02 0.00 0.00 63.50 61.74 2kmk n PRO 57 Cb 0.44 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.28 2kmk n PRO 57 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2kmk s HIS 58 N -2.91 3.95 -0.15 6.00 3.76 -0.61 -4.96 115.29 120.38 2kmk s HIS 58 Ca -0.00 -2.26 -0.25 0.00 -0.15 0.00 0.00 55.06 52.39 2kmk s HIS 58 Cb 0.01 -3.85 -0.02 0.00 1.11 0.00 0.00 32.58 29.82 2kmk s HIS 58 CO 0.02 -1.00 0.82 0.15 -0.85 0.00 0.00 174.74 173.88 2kmk s LYS 59 N -0.30 4.33 0.00 1.40 1.02 -1.26 -0.43 119.74 124.50 2kmk s LYS 59 Ca 0.24 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.25 2kmk s LYS 59 Cb -0.10 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2kmk s LYS 59 CO -0.08 -0.27 0.05 0.00 -0.92 0.00 0.00 175.35 174.13 2kmk n GLN 61 N -0.06 0.00 -0.11 0.00 1.13 -1.26 -4.96 117.38 112.12 2kmk n GLN 61 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 2kmk n GLN 61 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 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 0.00 1.51 0.58 5.09 0.31 -1.26 -4.60 118.33 119.95 2kmk n VAL 62 Ca 0.00 -0.08 0.06 0.00 -0.01 0.00 0.00 64.34 64.31 2kmk n VAL 62 Cb 0.00 -2.10 -0.05 0.00 -0.91 0.00 0.00 33.84 30.78 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 1.22 0.88 3.87 0.00 0.00 -1.26 -5.09 105.19 104.81 2kmk n GLY 64 Ca 0.03 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.29 2.34 0.06 1.61 2.20 -1.26 -4.94 119.74 116.45 2kmk s LYS 65 Ca 0.00 -1.83 0.01 0.00 -0.36 0.00 0.00 55.97 53.79 2kmk s LYS 65 Cb 0.00 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 2kmk s LYS 65 CO 0.00 -0.41 -0.06 0.00 -0.36 0.00 0.00 175.35 174.52 2kmk s ALA 66 N -2.65 0.66 0.02 3.13 0.00 -1.26 -1.48 121.76 120.18 2kmk s ALA 66 Ca 0.40 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2kmk s ALA 66 Cb -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2kmk s ALA 66 CO 0.24 -0.21 -0.05 -0.06 0.00 0.00 0.00 175.76 175.68 2kmk s PHE 67 N -2.89 0.44 -0.05 0.00 0.08 0.43 -4.95 117.98 111.05 2kmk s PHE 67 Ca 0.02 -0.41 0.12 0.00 0.12 0.00 0.00 56.93 56.78 2kmk s PHE 67 Cb 0.00 -0.28 -0.07 0.00 -0.57 0.00 0.00 43.02 42.11 2kmk s PHE 67 CO -0.04 -0.10 1.30 0.77 -0.10 0.00 0.00 175.22 177.05 2kmk h SER 68 N 4.90 0.00 -4.32 1.36 0.02 -1.85 -1.60 113.55 112.06 2kmk h SER 68 Ca -0.32 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.95 2kmk h SER 68 Cb 1.20 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.48 2kmk h SER 68 CO 0.43 0.71 -0.88 -1.10 -1.14 0.00 0.00 176.83 174.86 2kmk s GLN 69 N -2.85 1.76 0.15 3.45 -0.21 -1.26 -4.80 119.66 115.90 2kmk s GLN 69 Ca 0.02 -1.08 -0.13 0.00 0.02 0.00 0.00 55.36 54.20 2kmk s GLN 69 Cb 0.09 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 32.21 2kmk s GLN 69 CO 0.78 0.50 1.64 0.77 -2.12 0.00 0.00 175.29 176.86 2kmk h SER 70 N 4.85 0.80 -0.78 5.90 0.02 -1.97 -1.92 113.55 120.44 2kmk h SER 70 Ca -0.46 -0.26 0.16 0.00 -0.84 0.00 0.00 61.79 60.40 2kmk h SER 70 Cb 1.14 -0.21 -0.10 0.00 0.14 0.00 0.00 62.40 63.37 2kmk h SER 70 CO 0.44 0.85 0.30 0.28 -1.14 0.00 0.00 176.83 177.56 2kmk h SER 71 N 0.72 0.24 0.13 3.07 0.02 -1.98 1.47 113.55 117.22 2kmk h SER 71 Ca 0.15 0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 2kmk h SER 71 Cb 0.39 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2kmk h SER 71 CO 0.01 0.06 -0.40 0.78 -1.14 0.00 0.00 176.83 176.14 2kmk h ASN 72 N 0.41 0.37 -0.05 3.07 4.21 -1.88 -0.07 115.58 121.63 2kmk h ASN 72 Ca 0.44 -0.16 -0.06 0.00 1.21 0.00 0.00 56.30 57.74 2kmk h ASN 72 Cb 0.73 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2kmk h ASN 72 CO -0.45 0.74 -0.21 0.25 -1.29 0.00 0.00 177.43 176.47 2kmk h LEU 73 N 0.30 0.27 -0.04 1.61 5.85 0.99 0.19 115.31 124.47 2kmk h LEU 73 Ca 0.03 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.14 2kmk h LEU 73 Cb 0.84 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2kmk h LEU 73 CO 0.07 0.87 -0.18 0.40 -0.34 0.00 0.00 178.44 179.25 2kmk h ILE 74 N -0.30 0.55 -0.24 4.05 2.04 0.18 0.83 117.51 124.61 2kmk h ILE 74 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2kmk h ILE 74 Cb 0.86 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2kmk h ILE 74 CO 0.04 0.00 0.13 0.74 0.00 0.00 0.00 178.15 179.06 2kmk h THR 75 N -0.28 1.01 -0.32 -0.27 2.02 -1.03 0.34 112.91 114.38 2kmk h THR 75 Ca 0.07 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.22 2kmk h THR 75 Cb 0.37 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 2kmk h THR 75 CO -0.20 0.05 -0.01 -0.74 0.37 0.00 0.00 175.52 174.98 2kmk h HIS 76 N 0.27 -0.04 -0.06 3.16 -0.00 0.40 -0.25 115.15 118.63 2kmk h HIS 76 Ca 0.10 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 2kmk h HIS 76 Cb 0.01 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 2kmk h HIS 76 CO -0.09 -0.07 -0.37 1.03 -0.00 0.00 0.00 177.93 178.44 2kmk h SER 77 N 0.08 0.13 -0.09 3.26 0.87 0.11 -1.40 113.55 116.50 2kmk h SER 77 Ca 0.15 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2kmk h SER 77 Cb 0.21 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2kmk h SER 77 CO -0.27 0.49 0.02 0.03 -0.53 0.00 0.00 176.83 176.58 2kmk h ARG 78 N 0.11 0.21 -0.20 2.24 3.08 0.13 0.13 114.38 120.07 2kmk h ARG 78 Ca 0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2kmk h ARG 78 Cb 0.71 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2kmk h ARG 78 CO 0.05 0.21 -0.05 0.87 -1.07 0.00 0.00 179.97 179.98 2kmk h LYS 79 N 0.21 0.38 0.41 0.04 1.57 -0.02 0.80 116.57 119.96 2kmk h LYS 79 Ca 0.05 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2kmk h LYS 79 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2kmk h LYS 79 CO -0.00 0.64 -0.20 0.45 -0.57 0.00 0.00 179.45 179.77 2kmk h HIS 80 N 0.10 -0.52 0.13 -1.35 3.86 -0.76 -3.25 115.15 113.37 2kmk h HIS 80 Ca 0.05 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2kmk h HIS 80 Cb 0.50 0.17 -0.04 0.00 1.06 0.00 0.00 27.41 29.10 2kmk h HIS 80 CO 0.05 -0.32 -0.30 1.15 0.86 0.00 0.00 177.93 179.37 2kmk h THR 81 N -0.56 0.35 0.00 2.45 2.02 -0.88 -3.52 112.91 112.78 2kmk h THR 81 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2kmk h THR 81 Cb 0.43 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2kmk h THR 81 CO 0.09 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.59