#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hkk s TRP 5 N 0.00 2.28 0.00 4.41 1.48 -1.26 -4.88 118.94 120.97 2hkk s TRP 5 Ca 0.00 1.51 0.00 0.00 -1.06 0.00 0.00 56.10 56.55 2hkk s TRP 5 Cb 0.00 -3.54 0.00 0.00 -1.16 0.00 0.00 33.47 28.77 2hkk s TRP 5 CO 0.00 -2.44 0.00 0.41 -4.06 0.00 0.00 176.95 170.86 2hkk n GLY 6 N 0.59 3.67 0.00 3.67 0.00 -0.10 -5.03 105.19 107.99 2hkk n GLY 6 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2hkk n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hkk n TYR 7 N 0.00 0.00 -2.08 1.61 4.02 -1.26 -3.94 117.16 115.51 2hkk n TYR 7 Ca 0.00 -0.45 -0.28 0.00 -0.01 0.00 0.00 57.90 57.16 2hkk n TYR 7 Cb 0.00 -0.05 0.19 0.00 -0.02 0.00 0.00 39.34 39.46 2hkk n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hkk n GLY 8 N -0.46 -1.05 0.34 2.72 0.00 -1.26 -4.63 105.19 100.84 2hkk n GLY 8 Ca 0.01 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.31 2hkk n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2hkk h LYS 9 N 0.00 0.61 -0.00 1.61 1.63 -1.98 -0.48 116.57 117.96 2hkk h LYS 9 Ca -0.42 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2hkk h LYS 9 Cb 1.21 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2hkk h LYS 9 CO 0.32 0.41 -0.81 0.72 -3.45 0.00 0.00 179.45 176.64 2hkk n HIS 10 N -4.47 0.00 -1.20 1.91 8.25 -1.26 -4.48 115.22 113.97 2hkk n HIS 10 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2hkk n HIS 10 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2hkk n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2hkk n ASN 11 N -1.25 0.23 -3.20 0.41 6.94 -1.19 -4.95 115.26 112.25 2hkk n ASN 11 Ca 0.04 -1.42 -0.18 0.00 -0.02 0.00 0.00 54.58 53.00 2hkk n ASN 11 Cb 0.31 -0.07 0.12 0.00 -2.36 0.00 0.00 39.78 37.78 2hkk n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hkk n GLY 12 N -0.09 -1.24 0.55 4.83 0.00 -0.20 -0.93 105.19 108.13 2hkk n GLY 12 Ca 0.01 -1.71 0.40 0.00 0.00 0.00 0.00 46.02 44.71 2hkk n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hkk h PRO 13 N 0.00 0.07 0.00 1.61 0.11 -1.84 0.34 132.00 132.28 2hkk h PRO 13 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2hkk h PRO 13 Cb 0.74 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2hkk h PRO 13 CO 0.19 0.04 0.00 1.05 -0.21 0.00 0.00 178.00 179.07 2hkk h GLU 14 N 0.07 0.00 0.00 1.05 9.09 -1.93 -3.10 114.58 119.76 2hkk h GLU 14 Ca 0.75 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.16 2hkk h GLU 14 Cb 2.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.80 2hkk h GLU 14 CO -0.15 0.00 -1.50 0.72 0.05 0.00 0.00 179.01 178.13 2hkk n HIS 15 N -2.67 0.00 0.12 2.06 8.25 0.12 -4.65 115.22 118.45 2hkk n HIS 15 Ca 0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.53 2hkk n HIS 15 Cb 0.28 -0.26 0.52 0.00 1.12 0.00 0.00 29.99 31.66 2hkk n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2hkk h TRP 16 N 0.00 0.29 -0.02 4.41 6.55 -1.45 -2.70 115.95 123.02 2hkk h TRP 16 Ca 0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 2hkk h TRP 16 Cb 0.73 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.93 2hkk h TRP 16 CO 0.00 0.18 0.02 1.12 -1.05 0.00 0.00 178.44 178.71 2hkk h HIS 17 N 0.31 0.00 -0.18 0.49 2.07 -1.80 0.40 115.15 116.44 2hkk h HIS 17 Ca 0.08 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.58 2hkk h HIS 17 Cb -0.03 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.94 2hkk h HIS 17 CO -0.00 0.00 0.04 0.87 -3.07 0.00 0.00 177.93 175.77 2hkk h LYS 18 N 0.00 0.29 0.00 5.12 1.57 -1.84 -2.15 116.57 119.56 2hkk h LYS 18 Ca 0.01 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 2hkk h LYS 18 Cb 0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2hkk h LYS 18 CO -0.00 0.44 -1.10 -0.44 -0.57 0.00 0.00 179.45 177.78 2hkk h ASP 19 N 0.10 0.00 -2.92 0.86 3.32 -1.70 -3.41 116.42 112.67 2hkk h ASP 19 Ca 0.06 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.50 2hkk h ASP 19 Cb 0.28 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.43 2hkk h ASP 19 CO 0.00 0.82 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.22 2hkk s PHE 20 N -2.78 2.32 0.59 4.55 0.08 0.11 -4.98 117.98 117.86 2hkk s PHE 20 Ca -0.00 -2.77 0.29 0.00 0.12 0.00 0.00 56.93 54.56 2hkk s PHE 20 Cb 0.09 -1.87 1.51 0.00 -0.57 0.00 0.00 43.02 42.18 2hkk s PHE 20 CO 0.80 -0.70 1.95 -1.00 -0.10 0.00 0.00 175.22 176.17 2hkk h PRO 21 N 5.77 0.00 0.00 0.24 0.13 -1.62 -0.12 132.00 136.40 2hkk h PRO 21 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2hkk h PRO 21 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2hkk h PRO 21 CO 0.54 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.82 2hkk n ILE 22 N -3.77 1.45 -0.04 -3.56 3.06 -1.26 -2.21 119.36 113.03 2hkk n ILE 22 Ca 0.07 0.54 0.23 0.00 -2.50 0.00 0.00 62.75 61.09 2hkk n ILE 22 Cb 0.59 -1.51 0.71 0.00 0.54 0.00 0.00 39.64 39.97 2hkk n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2hkk h ALA 23 N 2.07 2.55 -0.57 1.51 0.00 -1.33 0.13 119.26 123.62 2hkk h ALA 23 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2hkk h ALA 23 Cb 0.06 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2hkk h ALA 23 CO 0.00 -0.79 0.11 1.63 0.00 0.00 0.00 179.25 180.20 2hkk n LYS 24 N -4.24 3.87 0.00 0.00 5.02 -0.94 -4.93 118.16 116.94 2hkk n LYS 24 Ca 0.12 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 2hkk n LYS 24 Cb 0.72 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2hkk n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hkk n GLY 25 N -0.02 -1.78 0.03 0.72 0.00 0.47 -4.99 105.19 99.61 2hkk n GLY 25 Ca 0.32 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.91 2hkk n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hkk n GLU 26 N -1.08 0.21 -2.99 1.61 -0.58 -1.26 -4.42 120.64 112.13 2hkk n GLU 26 Ca 0.00 0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2hkk n GLU 26 Cb 0.00 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.28 2hkk n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2hkk n ARG 27 N -1.86 1.03 -2.98 3.49 1.85 -1.26 -4.79 116.66 112.15 2hkk n ARG 27 Ca 0.03 -3.31 -0.32 0.00 -1.00 0.00 0.00 57.85 53.25 2hkk n ARG 27 Cb 0.41 -1.52 -0.05 0.00 -1.05 0.00 0.00 32.46 30.25 2hkk n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2hkk s GLN 28 N -2.64 3.98 0.21 2.89 -1.52 -1.26 -2.72 119.66 118.60 2hkk s GLN 28 Ca 0.35 0.71 0.09 0.00 -1.95 0.00 0.00 55.36 54.56 2hkk s GLN 28 Cb 0.39 -2.37 -0.05 0.00 -0.22 0.00 0.00 33.01 30.77 2hkk s GLN 28 CO -0.04 0.06 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.77 2hkk s SER 29 N -2.51 2.90 1.01 5.90 0.01 -1.26 -4.66 113.70 115.09 2hkk s SER 29 Ca 0.55 -0.98 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 2hkk s SER 29 Cb -0.10 -0.19 0.23 0.00 0.21 0.00 0.00 66.02 66.17 2hkk s SER 29 CO 0.21 -0.07 1.35 -2.16 0.41 0.00 0.00 173.24 172.98 2hkk s PRO 30 N -3.37 0.24 0.09 12.44 0.04 -1.26 -4.59 135.00 138.59 2hkk s PRO 30 Ca 0.23 -0.53 -0.00 0.00 0.04 0.00 0.00 61.00 60.74 2hkk s PRO 30 Cb -0.03 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2hkk s PRO 30 CO 0.09 -2.67 -0.02 0.14 0.04 0.00 0.00 177.00 174.59 2hkk s VAL 31 N -3.93 0.36 0.08 -0.36 -7.23 -1.26 0.02 120.40 108.07 2hkk s VAL 31 Ca 0.77 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.76 2hkk s VAL 31 Cb -0.02 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 2hkk s VAL 31 CO 0.54 -0.79 1.01 -0.62 -0.31 0.00 0.00 175.10 174.92 2hkk s ASP 32 N -3.01 7.39 -0.53 4.85 3.68 -1.26 -2.97 116.67 124.83 2hkk s ASP 32 Ca 0.14 1.81 -0.19 0.00 2.13 0.00 0.00 52.55 56.44 2hkk s ASP 32 Cb 0.07 -2.58 0.07 0.00 -1.45 0.00 0.00 42.92 39.03 2hkk s ASP 32 CO -0.05 -0.18 0.63 -0.63 0.13 0.00 0.00 175.17 175.07 2hkk s ILE 33 N 0.37 4.89 -0.57 4.11 1.01 0.11 -4.93 121.20 126.19 2hkk s ILE 33 Ca 0.50 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 2hkk s ILE 33 Cb -0.24 -4.33 0.04 0.00 0.01 0.00 0.00 42.46 37.93 2hkk s ILE 33 CO 0.30 -0.87 1.04 -0.62 0.00 0.00 0.00 174.94 174.79 2hkk s ASP 34 N 2.92 6.37 0.56 3.58 -1.08 -1.26 -0.71 116.67 127.05 2hkk s ASP 34 Ca 0.13 -0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.20 2hkk s ASP 34 Cb -0.21 -2.48 1.62 0.00 -1.46 0.00 0.00 42.92 40.39 2hkk s ASP 34 CO 0.10 -1.33 2.21 0.71 0.52 0.00 0.00 175.17 177.37 2hkk h THR 35 N 6.07 0.69 -0.01 1.71 1.35 -1.95 -0.81 112.91 119.96 2hkk h THR 35 Ca -0.26 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2hkk h THR 35 Cb 1.07 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2hkk h THR 35 CO 1.13 0.01 -0.15 1.41 -0.25 0.00 0.00 175.52 177.67 2hkk n HIS 36 N -4.06 0.00 -0.05 4.73 8.25 -1.26 -3.81 115.22 119.02 2hkk n HIS 36 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 2hkk n HIS 36 Cb 0.10 -0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.02 2hkk n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2hkk n THR 37 N -0.46 0.63 -2.19 1.59 -1.04 -0.39 -4.98 114.28 107.44 2hkk n THR 37 Ca 0.15 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 2hkk n THR 37 Cb 0.33 -0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 68.35 2hkk n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hkk s ALA 38 N -2.44 3.49 -0.10 2.41 0.00 -0.73 -4.88 121.76 119.51 2hkk s ALA 38 Ca -0.06 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 2hkk s ALA 38 Cb 0.05 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2hkk s ALA 38 CO 0.51 -0.54 -0.06 0.21 0.00 0.00 0.00 175.76 175.88 2hkk s LYS 39 N -1.44 3.07 0.22 0.00 2.20 -1.01 -4.80 119.74 117.98 2hkk s LYS 39 Ca 0.49 -0.55 -0.32 0.00 -0.36 0.00 0.00 55.97 55.24 2hkk s LYS 39 Cb -0.38 -2.69 -0.12 0.00 -1.51 0.00 0.00 37.83 33.13 2hkk s LYS 39 CO 0.48 0.51 1.65 0.98 -0.36 0.00 0.00 175.35 178.61 2hkk n TYR 40 N 2.70 2.65 -3.90 4.03 4.19 -1.26 -0.25 117.16 125.32 2hkk n TYR 40 Ca -0.18 0.15 -0.35 0.00 3.31 0.00 0.00 57.90 60.83 2hkk n TYR 40 Cb 0.53 -2.62 -0.13 0.00 0.49 0.00 0.00 39.34 37.60 2hkk n TYR 40 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2hkk s ASP 41 N 0.94 4.92 0.46 2.98 3.68 -0.15 -4.83 116.67 124.67 2hkk s ASP 41 Ca 0.73 -1.49 0.31 0.00 2.13 0.00 0.00 52.55 54.23 2hkk s ASP 41 Cb -0.54 -1.72 1.26 0.00 -1.45 0.00 0.00 42.92 40.46 2hkk s ASP 41 CO 0.38 -0.32 1.91 -0.65 0.13 0.00 0.00 175.17 176.61 2hkk h PRO 42 N 7.96 0.00 -0.00 4.34 0.11 -1.94 -2.92 132.00 139.56 2hkk h PRO 42 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2hkk h PRO 42 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2hkk h PRO 42 CO 0.56 0.00 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.20 2hkk n SER 43 N -2.84 0.24 -4.69 -2.05 3.41 -1.26 -4.79 113.62 101.64 2hkk n SER 43 Ca 0.01 -0.81 -0.42 0.00 -0.26 0.00 0.00 58.87 57.38 2hkk n SER 43 Cb 0.28 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2hkk n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2hkk s LEU 44 N -2.19 4.28 0.71 1.04 1.02 -1.10 -5.01 118.68 117.42 2hkk s LEU 44 Ca 0.40 1.77 -0.11 0.00 0.02 0.00 0.00 54.13 56.20 2hkk s LEU 44 Cb 0.21 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.88 2hkk s LEU 44 CO 0.40 -0.55 1.07 -0.54 0.02 0.00 0.00 176.35 176.75 2hkk s LYS 45 N 2.10 2.79 0.51 1.70 3.01 -1.21 -4.92 119.74 123.72 2hkk s LYS 45 Ca 0.54 1.05 -0.23 0.00 -1.01 0.00 0.00 55.97 56.32 2hkk s LYS 45 Cb -0.24 -1.97 -0.06 0.00 -1.01 0.00 0.00 37.83 34.56 2hkk s LYS 45 CO 0.22 -1.22 1.35 -2.14 0.51 0.00 0.00 175.35 174.07 2hkk s PRO 46 N -4.89 3.37 0.19 -1.68 0.02 -1.26 -1.71 135.00 129.05 2hkk s PRO 46 Ca 0.60 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.55 2hkk s PRO 46 Cb -0.15 -2.39 -0.08 0.00 0.02 0.00 0.00 34.50 31.90 2hkk s PRO 46 CO 0.53 -1.00 1.05 -1.17 -0.33 0.00 0.00 177.00 176.08 2hkk s LEU 47 N -3.22 4.53 -0.25 -5.54 0.20 -1.26 -1.97 118.68 111.16 2hkk s LEU 47 Ca 0.67 2.05 0.03 0.00 0.69 0.00 0.00 54.13 57.57 2hkk s LEU 47 Cb -0.40 -3.61 0.06 0.00 -0.43 0.00 0.00 46.19 41.81 2hkk s LEU 47 CO 0.49 -0.12 -0.11 -0.55 -0.29 0.00 0.00 176.35 175.76 2hkk s SER 48 N -0.37 4.35 -0.38 3.68 0.15 0.47 -4.88 113.70 116.72 2hkk s SER 48 Ca 0.47 -1.35 -0.07 0.00 0.70 0.00 0.00 55.95 55.70 2hkk s SER 48 Cb -0.28 -1.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.57 2hkk s SER 48 CO 0.34 -0.18 0.17 -0.69 1.20 0.00 0.00 173.24 174.09 2hkk s VAL 49 N 1.12 3.82 -0.61 4.45 1.01 -1.26 -1.16 120.40 127.78 2hkk s VAL 49 Ca -0.08 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.49 2hkk s VAL 49 Cb -0.20 -3.31 0.15 0.00 0.00 0.00 0.00 36.38 33.03 2hkk s VAL 49 CO -0.05 -0.38 0.40 -0.44 0.00 0.00 0.00 175.10 174.62 2hkk s SER 50 N 1.75 4.97 0.00 3.32 0.01 -0.19 -4.90 113.70 118.66 2hkk s SER 50 Ca 0.01 -2.97 0.12 0.00 1.31 0.00 0.00 55.95 54.43 2hkk s SER 50 Cb -0.21 -1.79 0.33 0.00 0.21 0.00 0.00 66.02 64.56 2hkk s SER 50 CO 0.01 -0.31 1.27 -1.22 0.41 0.00 0.00 173.24 173.40 2hkk n TYR 51 N 3.28 0.50 -0.30 2.43 0.53 -1.26 -1.44 117.16 120.91 2hkk n TYR 51 Ca 0.08 -0.47 0.03 0.00 -1.02 0.00 0.00 57.90 56.52 2hkk n TYR 51 Cb 0.36 -0.02 0.17 0.00 -1.03 0.00 0.00 39.34 38.81 2hkk n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 2hkk h ASP 52 N 2.33 0.70 -0.55 7.72 2.03 -1.90 -2.33 116.42 124.42 2hkk h ASP 52 Ca 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2hkk h ASP 52 Cb 0.75 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 2hkk h ASP 52 CO 0.00 0.41 0.00 1.67 -1.03 0.00 0.00 179.24 180.29 2hkk n GLN 53 N -4.72 3.91 -1.74 4.15 -0.06 -1.26 -4.99 117.38 112.66 2hkk n GLN 53 Ca 0.14 -2.66 -0.42 0.00 -2.00 0.00 0.00 57.00 52.05 2hkk n GLN 53 Cb 0.27 -1.99 -0.01 0.00 -4.06 0.00 0.00 30.24 24.44 2hkk n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2hkk n ALA 54 N 0.79 2.42 -3.94 1.69 0.00 -0.88 -4.55 120.51 116.04 2hkk n ALA 54 Ca 0.24 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 2hkk n ALA 54 Cb 0.94 -2.44 -0.15 0.00 0.00 0.00 0.00 19.45 17.80 2hkk n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hkk s THR 55 N -0.16 2.17 0.54 0.00 2.01 -1.26 -4.88 115.64 114.06 2hkk s THR 55 Ca 0.63 -2.59 -0.18 0.00 0.31 0.00 0.00 61.69 59.85 2hkk s THR 55 Cb -0.50 -2.57 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 2hkk s THR 55 CO 0.51 -0.70 1.07 -0.94 -0.69 0.00 0.00 174.62 173.87 2hkk s SER 56 N 0.54 5.95 0.00 3.53 1.04 -1.26 -0.35 113.70 123.15 2hkk s SER 56 Ca 0.13 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.52 2hkk s SER 56 Cb -0.22 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2hkk s SER 56 CO -0.06 -1.05 0.00 0.18 0.98 0.00 0.00 173.24 173.28 2hkk n LEU 57 N -1.46 0.66 -3.64 2.42 4.77 0.10 -4.05 117.00 115.81 2hkk n LEU 57 Ca 0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 2hkk n LEU 57 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2hkk n LEU 57 CO 0.43 0.08 0.57 0.00 -1.33 0.00 0.00 177.39 177.14 2hkk s ARG 58 N -1.98 1.29 -0.07 3.23 1.04 -1.23 -1.59 118.95 119.64 2hkk s ARG 58 Ca 0.00 -0.62 0.04 0.00 -1.04 0.00 0.00 55.73 54.11 2hkk s ARG 58 Cb 0.00 0.50 -0.01 0.00 -2.04 0.00 0.00 34.95 33.40 2hkk s ARG 58 CO 0.00 -0.58 -0.21 -1.50 -0.04 0.00 0.00 175.30 172.97 2hkk s ILE 59 N -3.54 2.43 -0.06 4.99 2.07 0.10 -0.93 121.20 126.27 2hkk s ILE 59 Ca 0.08 -0.92 0.02 0.00 -1.41 0.00 0.00 60.65 58.41 2hkk s ILE 59 Cb -0.02 -1.93 0.02 0.00 0.13 0.00 0.00 42.46 40.65 2hkk s ILE 59 CO -0.03 0.56 -0.08 -0.22 -1.91 0.00 0.00 174.94 173.26 2hkk s LEU 60 N -0.13 1.48 -0.35 8.50 2.96 -0.34 -0.83 118.68 129.96 2hkk s LEU 60 Ca -0.03 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 53.41 2hkk s LEU 60 Cb -0.14 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 45.92 2hkk s LEU 60 CO 0.04 -0.01 0.87 0.21 -1.32 0.00 0.00 176.35 176.14 2hkk s ASN 61 N 0.82 6.67 -0.09 3.68 3.84 -0.50 -0.65 114.94 128.71 2hkk s ASN 61 Ca -0.12 0.59 0.17 0.00 0.21 0.00 0.00 52.86 53.70 2hkk s ASN 61 Cb -0.15 -2.44 0.61 0.00 -0.55 0.00 0.00 41.25 38.72 2hkk s ASN 61 CO 0.02 -0.77 1.53 -0.46 -2.79 0.00 0.00 177.10 174.62 2hkk n ASN 62 N 6.56 4.26 0.00 -4.21 0.23 -0.84 -0.62 115.26 120.65 2hkk n ASN 62 Ca 0.06 -2.42 0.00 0.00 -0.53 0.00 0.00 54.58 51.69 2hkk n ASN 62 Cb 0.48 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 2hkk n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hkk n GLY 63 N 0.82 1.24 0.00 4.83 0.00 -1.26 -4.76 105.19 106.06 2hkk n GLY 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2hkk n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2hkk n HIS 64 N -2.00 0.00 -3.06 1.61 1.44 -1.26 -4.71 115.22 107.24 2hkk n HIS 64 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2hkk n HIS 64 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2hkk n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2hkk n ALA 65 N -0.79 -0.03 -2.77 1.59 0.00 -1.26 -4.85 120.51 112.39 2hkk n ALA 65 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 2hkk n ALA 65 Cb 0.10 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.42 2hkk n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2hkk s PHE 66 N -8.56 2.59 -0.20 0.00 -0.12 -1.26 -1.98 117.98 108.45 2hkk s PHE 66 Ca 0.00 -0.58 -0.07 0.00 -0.05 0.00 0.00 56.93 56.23 2hkk s PHE 66 Cb -0.00 -1.67 -0.04 0.00 -0.63 0.00 0.00 43.02 40.69 2hkk s PHE 66 CO 0.00 -0.13 0.05 -0.80 -0.05 0.00 0.00 175.22 174.30 2hkk s ASN 67 N -0.16 5.36 -0.34 1.98 0.02 0.18 -4.24 114.94 117.74 2hkk s ASN 67 Ca -0.02 -0.03 -0.19 0.00 -1.02 0.00 0.00 52.86 51.60 2hkk s ASN 67 Cb -0.14 -1.93 -0.01 0.00 0.02 0.00 0.00 41.25 39.20 2hkk s ASN 67 CO 0.04 0.11 0.56 -0.69 0.02 0.00 0.00 177.10 177.13 2hkk s VAL 68 N 0.73 4.98 0.08 1.60 1.01 0.21 -1.20 120.40 127.81 2hkk s VAL 68 Ca 0.03 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 2hkk s VAL 68 Cb -0.14 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2hkk s VAL 68 CO 0.02 -0.20 0.27 -1.61 0.00 0.00 0.00 175.10 173.58 2hkk s GLU 69 N 2.49 3.51 0.16 2.72 2.02 -0.11 -1.11 118.70 128.38 2hkk s GLU 69 Ca 0.21 -0.29 0.09 0.00 0.02 0.00 0.00 54.97 55.00 2hkk s GLU 69 Cb -0.15 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2hkk s GLU 69 CO 0.13 0.56 -0.20 -0.06 0.02 0.00 0.00 175.26 175.71 2hkk s PHE 70 N -1.55 1.95 -0.29 1.61 0.40 -0.18 -0.72 117.98 119.20 2hkk s PHE 70 Ca 0.36 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 2hkk s PHE 70 Cb -0.13 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.42 2hkk s PHE 70 CO 0.26 0.36 1.30 0.34 0.70 0.00 0.00 175.22 178.18 2hkk s ASP 71 N -2.55 6.69 -0.13 1.36 2.15 0.53 -4.85 116.67 119.87 2hkk s ASP 71 Ca 0.16 1.24 0.15 0.00 0.43 0.00 0.00 52.55 54.53 2hkk s ASP 71 Cb -0.07 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.43 2hkk s ASP 71 CO 0.07 -1.06 1.32 -0.90 -0.17 0.00 0.00 175.17 174.43 2hkk n ASP 72 N 7.57 3.35 0.00 -0.34 3.85 -1.26 -4.66 116.55 125.05 2hkk n ASP 72 Ca 0.15 -2.80 0.12 0.00 -0.71 0.00 0.00 54.79 51.54 2hkk n ASP 72 Cb 0.46 -0.44 0.68 0.00 -1.35 0.00 0.00 41.12 40.48 2hkk n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2hkk n SER 73 N -0.50 0.00 -3.70 -1.12 3.41 -1.26 -4.77 113.62 105.68 2hkk n SER 73 Ca 0.18 -0.62 -0.07 0.00 -0.26 0.00 0.00 58.87 58.10 2hkk n SER 73 Cb 0.73 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 2hkk n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hkk s GLN 74 N -2.10 1.41 -0.63 4.33 -2.07 -1.26 -5.11 119.66 114.23 2hkk s GLN 74 Ca 0.33 -0.71 -0.26 0.00 -1.82 0.00 0.00 55.36 52.89 2hkk s GLN 74 Cb 0.16 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.58 2hkk s GLN 74 CO 0.29 -0.64 1.88 -0.51 -1.32 0.00 0.00 175.29 174.99 2hkk s ASP 75 N -2.84 5.25 0.00 12.60 1.01 -1.26 -4.72 116.67 126.70 2hkk s ASP 75 Ca 0.09 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.63 2hkk s ASP 75 Cb -0.03 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2hkk s ASP 75 CO -0.00 -2.41 0.00 0.29 0.21 0.00 0.00 175.17 173.26 2hkk n LYS 76 N 9.17 0.00 -2.79 8.23 5.02 -1.26 -5.01 118.16 131.52 2hkk n LYS 76 Ca 0.22 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.08 2hkk n LYS 76 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.49 2hkk n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hkk s ALA 77 N -2.00 3.23 0.05 7.82 0.00 -1.26 -4.63 121.76 124.97 2hkk s ALA 77 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2hkk s ALA 77 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 2hkk s ALA 77 CO 0.00 -2.08 -0.14 0.14 0.00 0.00 0.00 175.76 173.68 2hkk s VAL 78 N 3.84 1.13 -0.16 0.00 -7.23 -0.52 -0.65 120.40 116.81 2hkk s VAL 78 Ca 0.38 -1.08 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2hkk s VAL 78 Cb -0.10 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 2hkk s VAL 78 CO 0.27 -0.04 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.70 2hkk s LEU 79 N -1.28 2.81 0.31 1.32 0.20 0.24 -1.03 118.68 121.25 2hkk s LEU 79 Ca 0.01 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 54.51 2hkk s LEU 79 Cb -0.08 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 2hkk s LEU 79 CO 0.02 0.11 0.33 -1.59 -0.29 0.00 0.00 176.35 174.93 2hkk s LYS 80 N 0.67 1.70 1.89 1.98 -2.85 -0.31 -1.83 119.74 121.00 2hkk s LYS 80 Ca -0.05 -1.82 0.00 0.00 -1.00 0.00 0.00 55.97 53.10 2hkk s LYS 80 Cb -0.15 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 2hkk s LYS 80 CO 0.02 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 175.23 2hkk n GLY 81 N -0.53 -1.25 7.00 0.59 0.00 -1.26 -0.39 105.19 109.36 2hkk n GLY 81 Ca 0.04 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2hkk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hkk n GLY 82 N 0.00 3.42 0.04 -0.02 0.00 -0.69 -1.43 105.19 106.51 2hkk n GLY 82 Ca 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2hkk n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hkk n PRO 83 N 14.00 0.83 -3.34 1.61 -0.04 -1.26 -3.30 135.00 143.49 2hkk n PRO 83 Ca 0.00 -0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.02 2hkk n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2hkk n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hkk s LEU 84 N -2.23 4.40 -0.17 1.53 1.43 -0.51 -5.07 118.68 118.06 2hkk s LEU 84 Ca 0.39 1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 54.58 2hkk s LEU 84 Cb 0.21 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 2hkk s LEU 84 CO 0.41 0.16 -0.04 -1.81 0.23 0.00 0.00 176.35 175.30 2hkk s ASP 85 N -1.52 4.63 0.00 2.29 1.11 -1.26 -4.18 116.67 117.74 2hkk s ASP 85 Ca 0.35 -0.21 0.00 0.00 0.18 0.00 0.00 52.55 52.87 2hkk s ASP 85 Cb -0.16 -1.76 0.00 0.00 1.07 0.00 0.00 42.92 42.06 2hkk s ASP 85 CO 0.19 0.12 0.00 0.61 1.18 0.00 0.00 175.17 177.26 2hkk n GLY 86 N 3.88 -0.82 3.25 0.21 0.00 -1.26 -4.93 105.19 105.51 2hkk n GLY 86 Ca -0.17 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 2hkk n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hkk s THR 87 N 0.00 2.03 -0.15 2.61 2.01 -1.26 -4.50 115.64 116.38 2hkk s THR 87 Ca 0.00 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 60.98 2hkk s THR 87 Cb 0.00 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.79 2hkk s THR 87 CO 0.00 0.56 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.99 2hkk s TYR 88 N -0.01 2.72 -0.09 4.92 2.02 -0.76 -0.77 117.35 125.38 2hkk s TYR 88 Ca -0.08 -1.28 -0.19 0.00 -0.37 0.00 0.00 57.07 55.15 2hkk s TYR 88 Cb -0.15 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 2hkk s TYR 88 CO 0.05 -0.59 0.51 1.03 -1.57 0.00 0.00 175.55 174.98 2hkk s ARG 89 N 0.88 4.33 0.10 -0.62 0.52 0.01 -0.59 118.95 123.57 2hkk s ARG 89 Ca -0.05 0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 55.38 2hkk s ARG 89 Cb -0.15 -3.42 -0.10 0.00 0.52 0.00 0.00 34.95 31.81 2hkk s ARG 89 CO -0.03 0.20 1.81 -1.17 0.02 0.00 0.00 175.30 176.13 2hkk s LEU 90 N 0.47 4.39 -0.12 2.53 2.96 0.17 -1.04 118.68 128.05 2hkk s LEU 90 Ca 0.28 2.68 0.02 0.00 -0.22 0.00 0.00 54.13 56.89 2hkk s LEU 90 Cb -0.16 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 2hkk s LEU 90 CO 0.12 -0.98 -0.09 0.00 -1.32 0.00 0.00 176.35 174.08 2hkk n ILE 91 N 4.84 0.68 -3.51 6.68 3.06 0.08 -4.60 119.36 126.59 2hkk n ILE 91 Ca 0.18 -0.28 -0.10 0.00 -2.50 0.00 0.00 62.75 60.04 2hkk n ILE 91 Cb 0.39 -0.90 -0.02 0.00 0.54 0.00 0.00 39.64 39.65 2hkk n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2hkk s GLN 92 N -2.24 1.30 0.10 9.51 1.03 -1.21 -1.01 119.66 127.14 2hkk s GLN 92 Ca -0.15 -0.54 0.04 0.00 0.04 0.00 0.00 55.36 54.76 2hkk s GLN 92 Cb 0.04 0.56 -0.04 0.00 0.03 0.00 0.00 33.01 33.61 2hkk s GLN 92 CO 0.29 -0.58 -0.11 -0.59 -2.54 0.00 0.00 175.29 171.76 2hkk s PHE 93 N -3.69 1.14 0.30 9.60 -0.12 -0.27 -0.66 117.98 124.29 2hkk s PHE 93 Ca 0.03 -0.62 -0.12 0.00 -0.05 0.00 0.00 56.93 56.18 2hkk s PHE 93 Cb -0.02 -0.62 0.01 0.00 -0.63 0.00 0.00 43.02 41.76 2hkk s PHE 93 CO -0.09 0.04 0.56 -3.38 -0.05 0.00 0.00 175.22 172.30 2hkk s HIS 94 N -2.29 0.44 0.26 3.49 -3.43 -0.68 -0.62 115.29 112.47 2hkk s HIS 94 Ca 0.06 -0.84 0.07 0.00 -0.80 0.00 0.00 55.06 53.55 2hkk s HIS 94 Cb -0.04 0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 31.35 2hkk s HIS 94 CO 0.01 -1.16 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.43 2hkk s PHE 95 N -3.44 1.93 -0.03 0.38 0.40 -1.26 -0.69 117.98 115.27 2hkk s PHE 95 Ca 0.22 -0.63 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 2hkk s PHE 95 Cb -0.02 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.47 2hkk s PHE 95 CO 0.12 0.34 -0.19 -1.01 0.70 0.00 0.00 175.22 175.18 2hkk s HIS 96 N -2.95 1.85 0.24 0.36 3.76 0.24 -4.77 115.29 114.01 2hkk s HIS 96 Ca 0.28 -0.46 -0.08 0.00 -0.15 0.00 0.00 55.06 54.65 2hkk s HIS 96 Cb 0.02 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.48 2hkk s HIS 96 CO 0.11 -0.12 0.34 1.67 -0.85 0.00 0.00 174.74 175.90 2hkk s TRP 97 N -0.20 0.72 0.54 1.40 -2.14 -1.22 -0.70 118.94 117.34 2hkk s TRP 97 Ca 0.01 -1.01 0.07 0.00 2.66 0.00 0.00 56.10 57.83 2hkk s TRP 97 Cb -0.10 -0.12 0.05 0.00 -3.10 0.00 0.00 33.47 30.20 2hkk s TRP 97 CO 0.01 -0.87 0.53 0.20 -2.66 0.00 0.00 176.95 174.17 2hkk s GLY 98 N -3.09 2.15 0.24 3.67 0.00 -1.12 -1.36 107.32 107.81 2hkk s GLY 98 Ca 0.29 -1.59 0.23 0.00 0.00 0.00 0.00 44.72 43.65 2hkk s GLY 98 CO 0.11 -1.84 1.29 1.48 0.00 0.00 0.00 173.10 174.13 2hkk h SER 99 N 0.58 0.00 -4.45 1.64 4.64 -1.90 -3.37 113.55 110.69 2hkk h SER 99 Ca -0.35 -0.05 -0.28 0.00 -0.47 0.00 0.00 61.79 60.64 2hkk h SER 99 Cb 1.30 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.22 2hkk h SER 99 CO 0.52 0.03 -0.72 -0.76 -0.87 0.00 0.00 176.83 175.03 2hkk s LEU 100 N -5.24 2.45 0.56 5.97 2.01 -1.26 -5.05 118.68 118.11 2hkk s LEU 100 Ca 0.03 -0.89 0.25 0.00 0.01 0.00 0.00 54.13 53.54 2hkk s LEU 100 Cb 0.10 -0.21 1.59 0.00 0.01 0.00 0.00 46.19 47.68 2hkk s LEU 100 CO 0.73 -0.34 2.19 0.44 1.01 0.00 0.00 176.35 180.38 2hkk h ASP 101 N 3.33 0.00 0.00 2.29 3.45 -1.91 -2.87 116.42 120.71 2hkk h ASP 101 Ca -0.36 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.10 2hkk h ASP 101 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 2hkk h ASP 101 CO 0.58 0.02 0.00 0.61 -1.57 0.00 0.00 179.24 178.88 2hkk n GLY 102 N -1.30 -0.95 3.40 2.75 0.00 -1.26 -3.46 105.19 104.36 2hkk n GLY 102 Ca -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2hkk n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hkk s GLN 103 N -2.00 1.20 0.00 1.61 -2.07 -1.08 -4.69 119.66 112.63 2hkk s GLN 103 Ca 0.20 -0.77 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 2hkk s GLN 103 Cb 0.09 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 2hkk s GLN 103 CO 0.15 -0.49 0.00 0.41 -1.32 0.00 0.00 175.29 174.04 2hkk n GLY 104 N -0.28 3.17 3.81 2.60 0.00 -1.00 -3.17 105.19 110.31 2hkk n GLY 104 Ca -0.14 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 2hkk n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hkk s SER 105 N 0.00 5.47 -0.19 1.61 1.04 -0.32 -3.43 113.70 117.88 2hkk s SER 105 Ca 0.00 1.73 -0.15 0.00 0.48 0.00 0.00 55.95 58.02 2hkk s SER 105 Cb 0.00 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 2hkk s SER 105 CO 0.00 -1.38 -0.19 -0.62 0.98 0.00 0.00 173.24 172.04 2hkk n GLU 106 N -2.66 0.52 -2.25 4.02 1.02 -1.26 -4.83 120.64 115.20 2hkk n GLU 106 Ca 0.08 0.40 -0.35 0.00 -0.02 0.00 0.00 57.16 57.27 2hkk n GLU 106 Cb 0.53 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2hkk n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2hkk s HIS 107 N -2.51 2.66 0.17 -0.32 3.76 -1.26 -4.15 115.29 113.64 2hkk s HIS 107 Ca -0.26 1.54 0.08 0.00 -0.15 0.00 0.00 55.06 56.27 2hkk s HIS 107 Cb 0.06 -3.30 -0.04 0.00 1.11 0.00 0.00 32.58 30.41 2hkk s HIS 107 CO 0.40 -1.60 -0.16 0.95 -0.85 0.00 0.00 174.74 173.48 2hkk s THR 108 N -1.77 1.69 -0.26 1.30 -4.23 -1.16 -4.72 115.64 106.49 2hkk s THR 108 Ca 0.73 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 2hkk s THR 108 Cb -0.24 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.79 2hkk s THR 108 CO 0.27 -0.45 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.11 2hkk s VAL 109 N -2.46 2.19 -1.45 2.29 1.01 -0.88 0.10 120.40 121.20 2hkk s VAL 109 Ca 0.17 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 2hkk s VAL 109 Cb -0.03 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.07 2hkk s VAL 109 CO 0.06 -0.05 0.49 0.47 0.00 0.00 0.00 175.10 176.07 2hkk n ASP 110 N 4.43 -0.89 0.00 3.32 10.43 0.11 -1.20 116.55 132.75 2hkk n ASP 110 Ca -0.13 -0.99 0.00 0.00 2.57 0.00 0.00 54.79 56.24 2hkk n ASP 110 Cb 0.42 -3.08 0.00 0.00 1.84 0.00 0.00 41.12 40.30 2hkk n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2hkk n LYS 111 N -4.41 0.00 -2.31 -1.24 4.76 -1.26 -4.99 118.16 108.71 2hkk n LYS 111 Ca -0.25 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.77 2hkk n LYS 111 Cb 0.66 -3.13 -0.03 0.00 -1.84 0.00 0.00 35.03 30.69 2hkk n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2hkk s LYS 112 N -0.29 4.33 -0.14 1.97 2.20 -0.34 -5.00 119.74 122.47 2hkk s LYS 112 Ca 0.00 1.87 -0.14 0.00 -0.36 0.00 0.00 55.97 57.34 2hkk s LYS 112 Cb 0.00 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 2hkk s LYS 112 CO 0.00 -0.47 0.30 0.15 -0.36 0.00 0.00 175.35 174.98 2hkk s LYS 113 N 1.93 4.18 0.56 4.03 1.02 -1.26 -2.07 119.74 128.13 2hkk s LYS 113 Ca 0.61 0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.72 2hkk s LYS 113 Cb -0.30 -3.39 0.03 0.00 -0.52 0.00 0.00 37.83 33.64 2hkk s LYS 113 CO 0.26 0.31 0.80 0.71 -0.92 0.00 0.00 175.35 176.51 2hkk s TYR 114 N 0.25 2.98 0.30 3.18 1.51 -1.26 -4.60 117.35 119.71 2hkk s TYR 114 Ca 0.17 0.17 0.16 0.00 -1.01 0.00 0.00 57.07 56.56 2hkk s TYR 114 Cb -0.13 -2.73 0.74 0.00 -0.11 0.00 0.00 41.96 39.73 2hkk s TYR 114 CO 0.05 -0.84 1.80 0.00 -1.11 0.00 0.00 175.55 175.44 2hkk h ALA 115 N 0.02 1.19 -3.00 3.71 0.00 -1.38 -0.76 119.26 119.05 2hkk h ALA 115 Ca -0.44 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.13 2hkk h ALA 115 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2hkk h ALA 115 CO 0.55 0.48 0.26 0.00 0.00 0.00 0.00 179.25 180.54 2hkk s ALA 116 N -3.93 -0.89 -0.13 0.00 0.00 -1.11 -2.78 121.76 112.92 2hkk s ALA 116 Ca -0.02 -0.62 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2hkk s ALA 116 Cb 0.13 0.72 0.05 0.00 0.00 0.00 0.00 23.12 24.03 2hkk s ALA 116 CO 0.70 -1.00 0.32 -2.00 0.00 0.00 0.00 175.76 173.78 2hkk s GLU 117 N -2.77 0.28 -0.15 0.00 2.12 0.12 -1.41 118.70 116.89 2hkk s GLU 117 Ca 0.14 0.65 -0.13 0.00 0.36 0.00 0.00 54.97 55.99 2hkk s GLU 117 Cb -0.05 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 2hkk s GLU 117 CO 0.10 -0.17 0.28 -1.17 -0.54 0.00 0.00 175.26 173.77 2hkk s LEU 118 N 1.37 4.26 -0.22 2.70 2.96 0.97 -0.59 118.68 130.13 2hkk s LEU 118 Ca -0.09 0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2hkk s LEU 118 Cb -0.10 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.26 2hkk s LEU 118 CO -0.10 0.13 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.94 2hkk s HIS 119 N 0.30 2.97 -0.36 5.38 3.76 0.14 -1.06 115.29 126.43 2hkk s HIS 119 Ca 0.16 -1.61 -0.13 0.00 -0.15 0.00 0.00 55.06 53.34 2hkk s HIS 119 Cb -0.13 -2.00 -0.00 0.00 1.11 0.00 0.00 32.58 31.56 2hkk s HIS 119 CO 0.04 -0.75 0.24 -0.51 -0.85 0.00 0.00 174.74 172.90 2hkk s LEU 120 N 1.30 4.63 -0.21 0.89 1.43 -0.67 -1.68 118.68 124.38 2hkk s LEU 120 Ca 0.02 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.40 2hkk s LEU 120 Cb -0.15 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 2hkk s LEU 120 CO -0.08 -0.30 0.12 -0.69 0.23 0.00 0.00 176.35 175.64 2hkk s VAL 121 N 1.68 5.26 0.02 -1.59 1.01 0.17 -1.50 120.40 125.44 2hkk s VAL 121 Ca 0.05 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2hkk s VAL 121 Cb -0.18 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2hkk s VAL 121 CO 0.09 0.42 -0.14 -1.00 0.00 0.00 0.00 175.10 174.48 2hkk s HIS 122 N 0.52 1.21 -0.00 5.22 3.76 -0.25 -0.74 115.29 125.01 2hkk s HIS 122 Ca 0.07 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 54.73 2hkk s HIS 122 Cb -0.12 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.80 2hkk s HIS 122 CO -0.00 0.01 -0.16 1.67 -0.85 0.00 0.00 174.74 175.41 2hkk s TRP 123 N -0.63 2.64 -0.11 1.40 1.48 -0.21 -0.99 118.94 122.53 2hkk s TRP 123 Ca 0.03 -0.20 -0.29 0.00 -1.06 0.00 0.00 56.10 54.58 2hkk s TRP 123 Cb -0.07 -1.55 -0.06 0.00 -1.16 0.00 0.00 33.47 30.64 2hkk s TRP 123 CO 0.01 0.22 1.95 1.21 -4.06 0.00 0.00 176.95 176.28 2hkk s ASN 124 N -1.12 6.12 0.37 -2.66 3.84 0.27 -0.81 114.94 120.95 2hkk s ASN 124 Ca 0.13 2.15 0.26 0.00 0.21 0.00 0.00 52.86 55.62 2hkk s ASN 124 Cb -0.11 -2.52 1.33 0.00 -0.55 0.00 0.00 41.25 39.40 2hkk s ASN 124 CO 0.03 -1.39 1.79 0.71 -2.79 0.00 0.00 177.10 175.46 2hkk h THR 125 N 6.24 0.00 0.00 -5.21 1.35 -1.30 -1.84 112.91 112.15 2hkk h THR 125 Ca -0.43 -0.08 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2hkk h THR 125 Cb 1.22 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2hkk h THR 125 CO 0.96 0.00 -0.01 0.11 -0.25 0.00 0.00 175.52 176.33 2hkk h LYS 126 N 0.00 0.00 -0.25 4.72 1.57 -1.90 -2.92 116.57 117.79 2hkk h LYS 126 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hkk h LYS 126 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2hkk h LYS 126 CO 0.00 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 2hkk n TYR 127 N -3.13 0.31 0.00 -1.35 4.02 -0.69 -5.00 117.16 111.32 2hkk n TYR 127 Ca -0.02 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2hkk n TYR 127 Cb 0.16 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 2hkk n TYR 127 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hkk n GLY 128 N 1.33 1.56 3.64 2.72 0.00 -1.10 -4.51 105.19 108.83 2hkk n GLY 128 Ca 0.16 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2hkk n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2hkk s ASP 129 N 0.00 -0.13 0.17 1.61 1.47 -1.26 -5.05 116.67 113.48 2hkk s ASP 129 Ca 0.00 -0.86 -0.15 0.00 1.18 0.00 0.00 52.55 52.72 2hkk s ASP 129 Cb 0.00 0.61 0.10 0.00 -0.34 0.00 0.00 42.92 43.29 2hkk s ASP 129 CO 0.00 -1.18 1.76 0.15 0.68 0.00 0.00 175.17 176.58 2hkk h PHE 130 N 2.20 0.32 -0.99 2.11 3.04 -1.94 -1.20 116.94 120.49 2hkk h PHE 130 Ca -0.25 0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.81 2hkk h PHE 130 Cb 1.25 -0.08 -0.07 0.00 2.56 0.00 0.00 35.95 39.60 2hkk h PHE 130 CO 0.40 0.15 0.63 0.78 -2.02 0.00 0.00 178.31 178.25 2hkk h GLY 131 N 0.37 1.55 1.74 2.40 0.00 -1.97 -1.05 103.07 106.11 2hkk h GLY 131 Ca 0.19 -0.45 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 2hkk h GLY 131 CO -0.17 0.27 -0.97 0.50 0.00 0.00 0.00 176.54 176.18 2hkk h LYS 132 N 1.10 0.22 -0.75 4.80 1.79 -1.76 -3.32 116.57 118.64 2hkk h LYS 132 Ca 0.45 -0.27 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 2hkk h LYS 132 Cb 0.28 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 2hkk h LYS 132 CO -0.21 1.03 0.37 0.00 -1.08 0.00 0.00 179.45 179.56 2hkk h ALA 133 N 0.87 1.23 0.00 3.86 0.00 -0.01 -2.26 119.26 122.95 2hkk h ALA 133 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2hkk h ALA 133 Cb 1.63 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2hkk h ALA 133 CO 0.15 0.59 0.00 1.33 0.00 0.00 0.00 179.25 181.32 2hkk n VAL 134 N -4.33 0.00 -0.04 0.00 0.24 -0.60 -1.47 118.33 112.13 2hkk n VAL 134 Ca 0.07 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.43 2hkk n VAL 134 Cb 0.13 -0.17 0.14 0.00 -1.47 0.00 0.00 33.84 32.47 2hkk n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hkk n GLN 135 N -0.39 2.40 -4.70 7.34 6.02 -0.85 -4.91 117.38 122.29 2hkk n GLN 135 Ca 0.00 -1.91 -0.27 0.00 -0.01 0.00 0.00 57.00 54.80 2hkk n GLN 135 Cb 0.03 -1.28 -0.14 0.00 1.02 0.00 0.00 30.24 29.87 2hkk n GLN 135 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2hkk s GLN 136 N -1.00 1.53 0.46 -1.09 -1.52 -0.54 -5.04 119.66 112.46 2hkk s GLN 136 Ca 0.23 -1.06 0.22 0.00 -1.95 0.00 0.00 55.36 52.80 2hkk s GLN 136 Cb 0.12 -1.71 1.13 0.00 -0.22 0.00 0.00 33.01 32.33 2hkk s GLN 136 CO 0.17 0.43 1.95 -1.00 -0.25 0.00 0.00 175.29 176.59 2hkk h PRO 137 N 4.70 0.00 -0.42 2.91 0.13 -1.85 -2.67 132.00 134.79 2hkk h PRO 137 Ca -0.45 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 2hkk h PRO 137 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 2hkk h PRO 137 CO 0.43 0.21 -0.26 -0.40 -0.23 0.00 0.00 178.00 177.75 2hkk n ASP 138 N -3.72 3.26 0.10 1.44 3.85 -1.26 -4.17 116.55 116.05 2hkk n ASP 138 Ca -0.01 -3.81 -0.05 0.00 -0.71 0.00 0.00 54.79 50.21 2hkk n ASP 138 Cb 0.32 -0.58 0.09 0.00 -1.35 0.00 0.00 41.12 39.60 2hkk n ASP 138 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2hkk h GLY 139 N 1.34 0.14 -3.90 6.12 0.00 -1.20 -3.43 103.07 102.15 2hkk h GLY 139 Ca 0.24 -0.21 -0.44 0.00 0.00 0.00 0.00 47.33 46.93 2hkk h GLY 139 CO 0.49 0.19 -0.77 1.08 0.00 0.00 0.00 176.54 177.52 2hkk s LEU 140 N -7.61 2.36 -0.06 3.11 1.43 0.77 -0.56 118.68 118.12 2hkk s LEU 140 Ca -0.02 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 2hkk s LEU 140 Cb 0.12 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.76 2hkk s LEU 140 CO 0.80 -0.10 -0.09 0.00 0.23 0.00 0.00 176.35 177.19 2hkk s ALA 141 N -1.78 1.05 -0.14 4.21 0.00 -0.16 -0.42 121.76 124.52 2hkk s ALA 141 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.74 2hkk s ALA 141 Cb -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2hkk s ALA 141 CO 0.03 -0.02 -0.20 0.08 0.00 0.00 0.00 175.76 175.66 2hkk s VAL 142 N 0.93 2.29 -0.30 0.00 1.01 -0.76 -1.09 120.40 122.48 2hkk s VAL 142 Ca -0.10 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 2hkk s VAL 142 Cb -0.15 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2hkk s VAL 142 CO 0.01 0.54 0.58 -0.22 0.00 0.00 0.00 175.10 176.01 2hkk s LEU 143 N 0.75 4.14 -0.15 3.92 0.20 -0.56 -1.19 118.68 125.78 2hkk s LEU 143 Ca -0.08 0.41 -0.06 0.00 0.69 0.00 0.00 54.13 55.08 2hkk s LEU 143 Cb -0.16 -2.75 -0.04 0.00 -0.43 0.00 0.00 46.19 42.82 2hkk s LEU 143 CO 0.00 -0.42 0.07 -0.83 -0.29 0.00 0.00 176.35 174.87 2hkk s GLY 144 N 1.62 1.95 -0.06 7.98 0.00 0.90 -1.66 107.32 118.05 2hkk s GLY 144 Ca 0.23 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.23 2hkk s GLY 144 CO 0.11 -0.13 -0.07 -0.42 0.00 0.00 0.00 173.10 172.59 2hkk s ILE 145 N -0.11 0.76 0.37 0.90 1.01 -0.22 -0.94 121.20 122.96 2hkk s ILE 145 Ca 0.07 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.26 2hkk s ILE 145 Cb -0.12 -0.75 -0.10 0.00 0.01 0.00 0.00 42.46 41.50 2hkk s ILE 145 CO 0.01 0.28 0.91 -0.36 0.00 0.00 0.00 174.94 175.78 2hkk s PHE 146 N 0.95 3.48 -0.11 3.97 0.08 -1.26 -0.02 117.98 125.06 2hkk s PHE 146 Ca -0.10 1.62 0.02 0.00 0.12 0.00 0.00 56.93 58.59 2hkk s PHE 146 Cb -0.15 -2.83 -0.01 0.00 -0.57 0.00 0.00 43.02 39.47 2hkk s PHE 146 CO 0.00 0.06 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.48 2hkk s LEU 147 N -2.67 2.34 0.24 -0.37 1.02 -0.50 -1.10 118.68 117.64 2hkk s LEU 147 Ca 0.56 -0.47 0.10 0.00 0.02 0.00 0.00 54.13 54.34 2hkk s LEU 147 Cb -0.13 -1.49 -0.05 0.00 0.02 0.00 0.00 46.19 44.54 2hkk s LEU 147 CO 0.18 0.16 -0.12 -1.59 0.02 0.00 0.00 176.35 175.00 2hkk s LYS 148 N 0.37 1.94 -0.17 1.70 -2.85 -0.16 -1.80 119.74 118.77 2hkk s LYS 148 Ca -0.15 -1.52 -0.20 0.00 -1.00 0.00 0.00 55.97 53.10 2hkk s LYS 148 Cb -0.17 -1.99 -0.03 0.00 -2.06 0.00 0.00 37.83 33.58 2hkk s LYS 148 CO 0.07 0.37 0.59 0.08 0.10 0.00 0.00 175.35 176.56 2hkk s VAL 149 N -2.17 5.07 0.00 1.79 1.01 -1.26 -0.20 120.40 124.64 2hkk s VAL 149 Ca 0.28 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2hkk s VAL 149 Cb -0.07 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2hkk s VAL 149 CO 0.16 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2hkk n GLY 150 N 3.67 0.75 3.78 4.51 0.00 0.11 -4.87 105.19 113.15 2hkk n GLY 150 Ca -0.03 0.45 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 2hkk n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hkk s SER 151 N 2.00 6.55 0.57 1.61 0.01 -1.26 -4.04 113.70 119.15 2hkk s SER 151 Ca 0.00 2.08 -0.20 0.00 1.31 0.00 0.00 55.95 59.14 2hkk s SER 151 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2hkk s SER 151 CO 0.00 -0.64 1.19 0.00 0.41 0.00 0.00 173.24 174.20 2hkk n ALA 152 N -0.31 0.93 -2.76 1.44 0.00 -1.26 -2.49 120.51 116.07 2hkk n ALA 152 Ca 0.06 0.08 -0.44 0.00 0.00 0.00 0.00 53.44 53.14 2hkk n ALA 152 Cb 0.50 -2.25 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 2hkk n ALA 152 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2hkk s LYS 153 N -2.83 2.98 0.25 0.00 2.47 -1.22 -4.76 119.74 116.62 2hkk s LYS 153 Ca 0.74 -1.26 -0.04 0.00 -1.56 0.00 0.00 55.97 53.85 2hkk s LYS 153 Cb -0.43 -4.09 0.44 0.00 -1.46 0.00 0.00 37.83 32.29 2hkk s LYS 153 CO 0.48 -0.96 1.77 -1.35 0.16 0.00 0.00 175.35 175.45 2hkk h PRO 154 N 8.73 0.60 0.00 4.03 0.11 -1.91 -1.21 132.00 142.34 2hkk h PRO 154 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2hkk h PRO 154 Cb 1.11 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2hkk h PRO 154 CO 0.84 0.40 0.00 0.41 -0.21 0.00 0.00 178.00 179.44 2hkk n GLY 155 N -1.32 -0.83 0.05 -0.55 0.00 -1.25 -2.42 105.19 98.88 2hkk n GLY 155 Ca 0.14 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2hkk n GLY 155 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hkk n LEU 156 N -1.39 0.38 -0.29 0.99 7.94 -0.46 -4.59 117.00 119.58 2hkk n LEU 156 Ca 0.05 0.09 0.02 0.00 -1.11 0.00 0.00 56.01 55.06 2hkk n LEU 156 Cb 0.13 -0.03 0.22 0.00 0.53 0.00 0.00 43.42 44.27 2hkk n LEU 156 CO 0.11 -0.05 1.26 -0.61 -1.11 0.00 0.00 177.39 176.98 2hkk h GLN 157 N 0.00 1.05 -0.95 1.96 5.75 -1.48 -1.02 115.11 120.42 2hkk h GLN 157 Ca 0.00 -0.06 0.10 0.00 -0.15 0.00 0.00 58.65 58.54 2hkk h GLN 157 Cb 0.95 -0.24 -0.07 0.00 1.07 0.00 0.00 27.48 29.20 2hkk h GLN 157 CO 0.00 0.69 0.61 0.87 -2.65 0.00 0.00 178.83 178.36 2hkk h LYS 158 N 1.08 0.95 -0.10 1.69 1.57 -1.81 0.64 116.57 120.59 2hkk h LYS 158 Ca 0.35 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 2hkk h LYS 158 Cb 0.04 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2hkk h LYS 158 CO -0.11 0.63 -0.05 0.28 -0.57 0.00 0.00 179.45 179.63 2hkk h VAL 159 N 0.98 1.32 -0.82 0.50 2.07 -1.52 -3.13 116.25 115.64 2hkk h VAL 159 Ca 0.45 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.99 2hkk h VAL 159 Cb 0.40 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2hkk h VAL 159 CO -0.21 0.30 0.46 0.58 0.02 0.00 0.00 177.57 178.73 2hkk h VAL 160 N -0.16 0.89 0.00 2.57 2.07 -0.43 -2.66 116.25 118.53 2hkk h VAL 160 Ca 0.02 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2hkk h VAL 160 Cb 0.50 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2hkk h VAL 160 CO 0.01 0.14 -0.29 0.44 0.02 0.00 0.00 177.57 177.90 2hkk h ASP 161 N 0.76 0.00 1.13 0.57 3.32 -0.93 -3.03 116.42 118.23 2hkk h ASP 161 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2hkk h ASP 161 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2hkk h ASP 161 CO -0.26 0.29 -0.37 0.55 -1.72 0.00 0.00 179.24 177.73 2hkk n VAL 162 N -3.45 0.47 0.17 -1.35 3.14 -1.01 -4.23 118.33 112.07 2hkk n VAL 162 Ca 0.00 -0.29 0.06 0.00 -2.96 0.00 0.00 64.34 61.15 2hkk n VAL 162 Cb 0.46 -0.32 0.53 0.00 -1.06 0.00 0.00 33.84 33.46 2hkk n VAL 162 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2hkk h LEU 163 N 0.00 0.15 -1.64 6.55 3.38 -1.46 -0.79 115.31 121.50 2hkk h LEU 163 Ca 0.00 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2hkk h LEU 163 Cb 0.75 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2hkk h LEU 163 CO 0.00 0.16 0.45 0.44 0.09 0.00 0.00 178.44 179.58 2hkk h ASP 164 N 0.17 0.35 0.79 -0.43 3.32 -1.79 -2.06 116.42 116.78 2hkk h ASP 164 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2hkk h ASP 164 Cb 0.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2hkk h ASP 164 CO -0.00 0.20 -0.14 -1.54 -1.72 0.00 0.00 179.24 176.04 2hkk n SER 165 N -4.47 0.17 -2.49 6.45 3.41 -0.30 -3.83 113.62 112.56 2hkk n SER 165 Ca 0.12 0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.75 2hkk n SER 165 Cb 0.46 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2hkk n SER 165 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2hkk n ILE 166 N -1.44 1.81 -0.28 -1.33 -5.35 -0.78 -4.70 119.36 107.30 2hkk n ILE 166 Ca 0.08 -3.79 -0.00 0.00 -0.27 0.00 0.00 62.75 58.76 2hkk n ILE 166 Cb 0.33 -0.13 0.20 0.00 -1.74 0.00 0.00 39.64 38.30 2hkk n ILE 166 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2hkk h LYS 167 N 2.58 1.11 -6.16 6.28 3.64 -1.64 -3.43 116.57 118.96 2hkk h LYS 167 Ca 0.11 -0.07 -0.59 0.00 -1.27 0.00 0.00 60.65 58.83 2hkk h LYS 167 Cb 1.24 -0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 32.68 2hkk h LYS 167 CO 0.57 0.74 -0.70 0.95 -2.27 0.00 0.00 179.45 178.74 2hkk s THR 168 N -5.95 2.74 0.04 1.00 -4.23 -1.26 -0.19 115.64 107.79 2hkk s THR 168 Ca -0.12 -2.20 -0.36 0.00 -1.18 0.00 0.00 61.69 57.83 2hkk s THR 168 Cb 0.18 -2.54 -0.15 0.00 1.34 0.00 0.00 72.50 71.33 2hkk s THR 168 CO 0.80 -0.35 1.57 1.17 -0.54 0.00 0.00 174.62 177.27 2hkk n LYS 169 N -0.75 1.69 0.00 3.99 4.81 0.26 -2.06 118.16 126.10 2hkk n LYS 169 Ca -0.05 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2hkk n LYS 169 Cb 0.60 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.31 2hkk n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hkk n GLY 170 N 3.39 1.87 3.78 3.14 0.00 0.21 -4.43 105.19 113.15 2hkk n GLY 170 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2hkk n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hkk s LYS 171 N -0.92 4.26 0.06 1.61 -0.14 -0.88 -4.88 119.74 118.86 2hkk s LYS 171 Ca 0.00 1.51 -0.05 0.00 -1.36 0.00 0.00 55.97 56.08 2hkk s LYS 171 Cb 0.00 -2.63 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 2hkk s LYS 171 CO 0.00 -0.05 0.08 -1.54 -0.76 0.00 0.00 175.35 173.08 2hkk s SER 172 N -1.51 0.27 0.01 2.83 1.04 -1.26 -1.40 113.70 113.68 2hkk s SER 172 Ca 0.56 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2hkk s SER 172 Cb -0.22 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 2hkk s SER 172 CO 0.28 -0.61 -0.02 0.00 0.98 0.00 0.00 173.24 173.87 2hkk s ALA 173 N -3.47 0.07 0.25 5.32 0.00 -0.01 -4.93 121.76 118.99 2hkk s ALA 173 Ca 0.02 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 2hkk s ALA 173 Cb 0.04 0.08 -0.13 0.00 0.00 0.00 0.00 23.12 23.10 2hkk s ALA 173 CO -0.09 -0.08 1.39 -0.25 0.00 0.00 0.00 175.76 176.74 2hkk n ASP 174 N 2.28 2.73 -3.02 0.00 8.00 -1.26 -0.72 116.55 124.56 2hkk n ASP 174 Ca -0.18 1.15 -0.17 0.00 0.71 0.00 0.00 54.79 56.29 2hkk n ASP 174 Cb 0.57 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.22 2hkk n ASP 174 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2hkk n PHE 175 N 1.79 -1.73 -3.73 1.24 7.35 -0.62 -4.72 117.46 117.03 2hkk n PHE 175 Ca 0.11 -2.74 -0.22 0.00 -0.76 0.00 0.00 57.45 53.85 2hkk n PHE 175 Cb 0.32 0.52 -0.02 0.00 0.35 0.00 0.00 39.48 40.65 2hkk n PHE 175 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2hkk s THR 176 N -0.25 5.12 -1.61 -2.13 -4.23 -1.26 -2.77 115.64 108.51 2hkk s THR 176 Ca 0.33 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 2hkk s THR 176 Cb 0.17 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2hkk s THR 176 CO -0.16 -0.40 0.00 0.59 -0.54 0.00 0.00 174.62 174.11 2hkk n ASN 177 N -1.56 -5.41 -4.72 3.99 4.13 -1.26 -4.95 115.26 105.49 2hkk n ASN 177 Ca -0.07 0.04 -0.40 0.00 1.68 0.00 0.00 54.58 55.84 2hkk n ASN 177 Cb 0.57 -4.52 -0.05 0.00 -1.54 0.00 0.00 39.78 34.24 2hkk n ASN 177 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2hkk s PHE 178 N -2.93 3.58 -0.41 3.10 5.36 -1.26 -5.01 117.98 120.41 2hkk s PHE 178 Ca 0.00 1.25 -0.13 0.00 -0.96 0.00 0.00 56.93 57.09 2hkk s PHE 178 Cb 0.00 -2.80 0.03 0.00 -0.34 0.00 0.00 43.02 39.91 2hkk s PHE 178 CO 0.00 0.10 0.28 0.34 -1.46 0.00 0.00 175.22 174.47 2hkk s ASP 179 N 0.76 5.96 0.08 6.13 3.68 -1.26 -4.42 116.67 127.60 2hkk s ASP 179 Ca 0.37 -1.03 0.17 0.00 2.13 0.00 0.00 52.55 54.19 2hkk s ASP 179 Cb -0.18 -2.10 0.72 0.00 -1.45 0.00 0.00 42.92 39.91 2hkk s ASP 179 CO 0.18 -0.46 1.53 -0.81 0.13 0.00 0.00 175.17 175.74 2hkk n PRO 180 N 5.09 0.06 0.29 4.34 -0.04 -1.26 -2.49 135.00 140.99 2hkk n PRO 180 Ca -0.11 0.31 0.15 0.00 -0.04 0.00 0.00 63.50 63.81 2hkk n PRO 180 Cb 0.46 -1.61 0.90 0.00 -0.04 0.00 0.00 33.50 33.20 2hkk n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hkk h ARG 181 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.98 114.38 114.09 2hkk h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2hkk h ARG 181 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2hkk h ARG 181 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 2hkk n GLY 182 N -1.16 -0.84 0.48 0.04 0.00 -1.04 -2.95 105.19 99.72 2hkk n GLY 182 Ca -0.03 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2hkk n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hkk n LEU 183 N -1.08 1.93 -4.82 0.99 4.77 -0.75 -3.92 117.00 114.12 2hkk n LEU 183 Ca 0.16 -0.88 -0.37 0.00 -0.03 0.00 0.00 56.01 54.89 2hkk n LEU 183 Cb 0.11 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2hkk n LEU 183 CO 0.15 0.36 0.24 -0.76 -1.33 0.00 0.00 177.39 176.05 2hkk s LEU 184 N -1.65 4.46 0.97 2.23 1.43 -1.15 -4.92 118.68 120.05 2hkk s LEU 184 Ca 0.15 1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 2hkk s LEU 184 Cb 0.13 -3.00 0.19 0.00 0.03 0.00 0.00 46.19 43.54 2hkk s LEU 184 CO 0.29 0.22 1.27 -2.16 0.23 0.00 0.00 176.35 176.19 2hkk s PRO 185 N -1.40 0.56 0.03 1.29 0.04 -1.26 -5.00 135.00 129.26 2hkk s PRO 185 Ca 0.32 -0.26 -0.26 0.00 0.04 0.00 0.00 61.00 60.84 2hkk s PRO 185 Cb -0.18 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 2hkk s PRO 185 CO 0.18 -2.49 1.42 0.93 0.04 0.00 0.00 177.00 177.08 2hkk h GLU 186 N -1.70 -0.32 -6.47 4.56 5.08 -1.93 -3.44 114.58 110.37 2hkk h GLU 186 Ca -0.45 0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.40 2hkk h GLU 186 Cb 1.26 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2hkk h GLU 186 CO 0.42 -0.05 0.16 0.45 -1.00 0.00 0.00 179.01 178.99 2hkk s SER 187 N -5.09 7.34 -0.14 1.42 0.15 -1.26 -4.96 113.70 111.16 2hkk s SER 187 Ca -0.15 1.59 0.17 0.00 0.70 0.00 0.00 55.95 58.27 2hkk s SER 187 Cb 0.03 -2.49 0.75 0.00 -1.71 0.00 0.00 66.02 62.60 2hkk s SER 187 CO 0.60 0.18 1.66 0.18 1.20 0.00 0.00 173.24 177.06 2hkk n LEU 188 N 1.79 4.99 -4.75 3.45 4.77 -1.26 -4.70 117.00 121.29 2hkk n LEU 188 Ca -0.05 -2.52 -0.42 0.00 -0.03 0.00 0.00 56.01 52.99 2hkk n LEU 188 Cb 0.49 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2hkk n LEU 188 CO 0.46 0.76 1.12 0.47 -1.33 0.00 0.00 177.39 178.88 2hkk n ASP 189 N 1.02 3.58 -3.78 -1.43 10.43 -1.26 -4.92 116.55 120.19 2hkk n ASP 189 Ca 0.26 1.20 -0.10 0.00 2.57 0.00 0.00 54.79 58.72 2hkk n ASP 189 Cb 0.96 -1.58 -0.06 0.00 1.84 0.00 0.00 41.12 42.29 2hkk n ASP 189 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 2hkk s TYR 190 N -0.71 0.04 0.03 1.24 -0.85 -1.26 -1.16 117.35 114.68 2hkk s TYR 190 Ca 0.58 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 56.72 2hkk s TYR 190 Cb -0.51 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 2hkk s TYR 190 CO 0.58 -0.67 0.09 -1.58 -1.52 0.00 0.00 175.55 172.45 2hkk s TRP 191 N -3.86 3.26 0.01 -3.49 0.51 0.04 -1.19 118.94 114.22 2hkk s TRP 191 Ca 0.07 0.16 0.02 0.00 -2.12 0.00 0.00 56.10 54.23 2hkk s TRP 191 Cb 0.03 -1.69 -0.01 0.00 -0.81 0.00 0.00 33.47 30.99 2hkk s TRP 191 CO -0.09 0.54 -0.07 -0.08 -0.51 0.00 0.00 176.95 176.75 2hkk s THR 192 N -1.29 0.53 0.08 2.01 -1.32 0.06 -0.66 115.64 115.05 2hkk s THR 192 Ca 0.26 -0.48 -0.21 0.00 -1.21 0.00 0.00 61.69 60.04 2hkk s THR 192 Cb -0.12 -0.49 0.05 0.00 -1.51 0.00 0.00 72.50 70.44 2hkk s THR 192 CO 0.18 0.02 0.51 -0.72 -2.21 0.00 0.00 174.62 172.40 2hkk s TYR 193 N -0.45 -0.41 0.03 9.09 -0.85 -1.09 -1.18 117.35 122.49 2hkk s TYR 193 Ca -0.00 0.34 -0.25 0.00 -0.52 0.00 0.00 57.07 56.64 2hkk s TYR 193 Cb -0.04 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.61 2hkk s TYR 193 CO -0.00 -0.69 0.78 -1.25 -1.52 0.00 0.00 175.55 172.86 2hkk s PRO 194 N -2.93 4.50 0.00 -3.49 0.04 -1.26 -1.09 135.00 130.76 2hkk s PRO 194 Ca -0.03 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2hkk s PRO 194 Cb -0.00 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2hkk s PRO 194 CO -0.06 0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2hkk n GLY 195 N 2.53 3.85 3.24 0.56 0.00 0.61 -4.84 105.19 111.14 2hkk n GLY 195 Ca -0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 2hkk n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hkk s SER 196 N 1.82 0.57 0.49 1.61 1.04 -1.10 -2.30 113.70 115.82 2hkk s SER 196 Ca 0.00 -1.42 -0.24 0.00 0.48 0.00 0.00 55.95 54.77 2hkk s SER 196 Cb 0.00 0.34 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 2hkk s SER 196 CO 0.00 -0.83 1.41 -0.76 0.98 0.00 0.00 173.24 174.04 2hkk s LEU 197 N -3.22 4.00 0.00 2.42 1.43 -0.40 -4.52 118.68 118.39 2hkk s LEU 197 Ca 0.39 2.88 0.25 0.00 -1.03 0.00 0.00 54.13 56.62 2hkk s LEU 197 Cb 0.07 -4.07 0.52 0.00 0.03 0.00 0.00 46.19 42.73 2hkk s LEU 197 CO 0.14 -1.36 1.44 0.35 0.23 0.00 0.00 176.35 177.15 2hkk n THR 198 N -0.55 0.00 -4.61 5.49 -2.24 -1.26 -4.37 114.28 106.73 2hkk n THR 198 Ca 0.07 -0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 2hkk n THR 198 Cb 0.43 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.65 2hkk n THR 198 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hkk s THR 199 N -2.00 2.42 0.23 4.28 -4.23 -1.26 -4.71 115.64 110.37 2hkk s THR 199 Ca 0.32 -1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 59.06 2hkk s THR 199 Cb 0.20 -2.03 -0.15 0.00 1.34 0.00 0.00 72.50 71.87 2hkk s THR 199 CO 0.31 0.24 0.96 -2.65 -0.54 0.00 0.00 174.62 172.95 2hkk n PRO 200 N 1.33 1.00 -1.13 3.99 -0.02 -1.26 -1.78 135.00 137.13 2hkk n PRO 200 Ca -0.17 0.35 -0.18 0.00 -2.02 0.00 0.00 63.50 61.49 2hkk n PRO 200 Cb 0.52 -1.69 0.16 0.00 -0.02 0.00 0.00 33.50 32.47 2hkk n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2hkk n PRO 201 N 1.10 2.23 -1.00 0.52 -0.04 -1.26 -5.00 135.00 131.56 2hkk n PRO 201 Ca 0.13 -3.20 0.00 0.00 -0.04 0.00 0.00 63.50 60.39 2hkk n PRO 201 Cb 0.28 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 2hkk n PRO 201 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2hkk n LEU 202 N -1.08 -0.53 -4.74 1.53 4.77 -0.73 -4.86 117.00 111.35 2hkk n LEU 202 Ca 0.49 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 56.06 2hkk n LEU 202 Cb 1.24 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 42.06 2hkk n LEU 202 CO 0.46 0.00 0.94 -0.76 -1.33 0.00 0.00 177.39 176.69 2hkk s LEU 203 N -0.04 4.44 -1.32 2.23 1.43 -1.26 -4.47 118.68 119.69 2hkk s LEU 203 Ca 0.00 2.37 -0.09 0.00 -1.03 0.00 0.00 54.13 55.37 2hkk s LEU 203 Cb 0.00 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.74 2hkk s LEU 203 CO 0.00 -0.45 2.02 -0.62 0.23 0.00 0.00 176.35 177.54 2hkk n GLU 204 N 2.30 3.67 -0.11 1.70 1.02 -1.26 -1.27 120.64 126.69 2hkk n GLU 204 Ca 0.04 -3.37 0.02 0.00 -0.02 0.00 0.00 57.16 53.84 2hkk n GLU 204 Cb 0.43 -2.92 0.03 0.00 -0.02 0.00 0.00 31.44 28.97 2hkk n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hkk s VAL 206 N -1.03 4.19 -0.38 0.00 1.01 -0.97 -0.16 120.40 123.05 2hkk s VAL 206 Ca 0.08 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 2hkk s VAL 206 Cb 0.07 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2hkk s VAL 206 CO 0.01 0.49 0.62 -0.89 0.00 0.00 0.00 175.10 175.33 2hkk s THR 207 N 0.26 4.89 0.09 3.92 2.01 0.44 -0.28 115.64 126.97 2hkk s THR 207 Ca -0.01 0.38 -0.24 0.00 0.31 0.00 0.00 61.69 62.13 2hkk s THR 207 Cb -0.13 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 2hkk s THR 207 CO 0.02 -0.39 0.74 0.26 -0.69 0.00 0.00 174.62 174.56 2hkk s TRP 208 N 2.69 3.81 -0.25 4.92 0.52 -0.25 -1.83 118.94 128.54 2hkk s TRP 208 Ca 0.23 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.84 2hkk s TRP 208 Cb -0.15 -2.75 0.08 0.00 -1.15 0.00 0.00 33.47 29.50 2hkk s TRP 208 CO 0.16 0.40 0.04 0.42 0.02 0.00 0.00 176.95 177.99 2hkk s ILE 209 N -0.59 0.96 -0.27 2.03 1.01 -0.33 -2.68 121.20 121.34 2hkk s ILE 209 Ca 0.36 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 2hkk s ILE 209 Cb -0.21 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.76 2hkk s ILE 209 CO 0.23 -0.37 0.01 -0.69 0.00 0.00 0.00 174.94 174.12 2hkk s VAL 210 N 1.62 3.42 0.27 2.92 1.01 0.17 -0.07 120.40 129.75 2hkk s VAL 210 Ca 0.02 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2hkk s VAL 210 Cb -0.18 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 2hkk s VAL 210 CO -0.14 0.15 1.21 -0.76 0.00 0.00 0.00 175.10 175.56 2hkk s LEU 211 N 1.42 4.48 0.08 3.92 1.43 -0.12 -0.78 118.68 129.11 2hkk s LEU 211 Ca 0.02 2.42 -0.16 0.00 -1.03 0.00 0.00 54.13 55.37 2hkk s LEU 211 Cb -0.17 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 2hkk s LEU 211 CO -0.01 -0.35 1.40 0.50 0.23 0.00 0.00 176.35 178.11 2hkk h LYS 212 N 4.10 0.60 -6.07 1.70 3.64 -1.47 -3.42 116.57 115.64 2hkk h LYS 212 Ca -0.47 -0.31 -0.58 0.00 -1.27 0.00 0.00 60.65 58.02 2hkk h LYS 212 Cb 1.22 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 2hkk h LYS 212 CO 0.69 0.91 0.73 -2.00 -2.27 0.00 0.00 179.45 177.50 2hkk s GLU 213 N -4.35 4.28 0.60 1.90 2.12 -1.26 -4.98 118.70 117.00 2hkk s GLU 213 Ca -0.13 1.32 -0.13 0.00 0.36 0.00 0.00 54.97 56.39 2hkk s GLU 213 Cb 0.08 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2hkk s GLU 213 CO 0.81 -0.57 1.03 -1.25 -0.54 0.00 0.00 175.26 174.73 2hkk s PRO 214 N 2.97 3.55 0.16 4.30 0.04 -1.26 -4.63 135.00 140.14 2hkk s PRO 214 Ca 0.44 0.88 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 2hkk s PRO 214 Cb -0.16 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2hkk s PRO 214 CO 0.08 -0.60 0.44 0.96 0.04 0.00 0.00 177.00 177.91 2hkk s ILE 215 N -2.94 5.08 -0.13 0.56 -4.36 -0.26 -4.89 121.20 114.26 2hkk s ILE 215 Ca 0.57 0.23 -0.06 0.00 -0.26 0.00 0.00 60.65 61.13 2hkk s ILE 215 Cb -0.12 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 39.93 2hkk s ILE 215 CO 0.47 0.04 0.09 -0.94 0.24 0.00 0.00 174.94 174.84 2hkk s SER 216 N -2.32 5.98 0.21 4.36 1.04 -1.26 -0.99 113.70 120.73 2hkk s SER 216 Ca 0.42 0.31 0.10 0.00 0.48 0.00 0.00 55.95 57.26 2hkk s SER 216 Cb -0.12 -1.92 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 2hkk s SER 216 CO 0.23 0.34 -0.18 0.68 0.98 0.00 0.00 173.24 175.28 2hkk s VAL 217 N -0.64 2.07 0.55 5.02 -7.23 0.72 -3.40 120.40 117.49 2hkk s VAL 217 Ca 0.12 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 2hkk s VAL 217 Cb -0.12 -2.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.69 2hkk s VAL 217 CO 0.02 -0.39 0.99 -0.94 -0.31 0.00 0.00 175.10 174.47 2hkk s SER 218 N -3.10 6.46 0.31 4.85 1.04 -1.19 0.09 113.70 122.16 2hkk s SER 218 Ca 0.23 1.48 0.03 0.00 0.48 0.00 0.00 55.95 58.16 2hkk s SER 218 Cb -0.04 -2.48 0.60 0.00 0.10 0.00 0.00 66.02 64.20 2hkk s SER 218 CO 0.10 -0.69 1.90 -1.28 0.98 0.00 0.00 173.24 174.24 2hkk h SER 219 N 0.42 0.85 -0.32 7.02 0.87 -1.93 -1.82 113.55 118.63 2hkk h SER 219 Ca -0.46 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.02 2hkk h SER 219 Cb 1.19 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 2hkk h SER 219 CO 0.62 0.51 -0.16 1.05 -0.53 0.00 0.00 176.83 178.32 2hkk h GLU 220 N 0.94 0.78 -0.02 2.24 9.09 -1.95 -0.73 114.58 124.93 2hkk h GLU 220 Ca 0.41 -0.28 -0.00 0.00 0.05 0.00 0.00 59.36 59.53 2hkk h GLU 220 Cb 0.33 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2hkk h GLU 220 CO -0.17 0.89 0.01 1.96 0.05 0.00 0.00 179.01 181.76 2hkk h GLN 221 N 0.69 0.03 -0.60 1.06 4.20 -1.76 -2.87 115.11 115.86 2hkk h GLN 221 Ca 0.11 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 2hkk h GLN 221 Cb 0.66 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 2hkk h GLN 221 CO 0.05 0.08 0.09 0.28 -0.67 0.00 0.00 178.83 178.66 2hkk h VAL 222 N -0.03 1.25 -0.96 -0.54 2.07 -1.25 -2.76 116.25 114.03 2hkk h VAL 222 Ca 0.01 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 66.65 2hkk h VAL 222 Cb 0.06 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 2hkk h VAL 222 CO -0.00 0.36 0.61 -0.07 0.02 0.00 0.00 177.57 178.50 2hkk h LEU 223 N 0.92 0.88 -0.73 2.57 3.38 -1.10 -2.03 115.31 119.20 2hkk h LEU 223 Ca 0.19 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2hkk h LEU 223 Cb 0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2hkk h LEU 223 CO 0.01 0.49 -0.26 0.11 0.09 0.00 0.00 178.44 178.88 2hkk h LYS 224 N 0.96 0.68 -0.76 1.13 1.57 -1.26 -2.29 116.57 116.61 2hkk h LYS 224 Ca 0.46 -0.28 0.13 0.00 -1.87 0.00 0.00 60.65 59.09 2hkk h LYS 224 Cb 0.45 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.64 2hkk h LYS 224 CO -0.22 0.88 0.34 0.74 -0.57 0.00 0.00 179.45 180.61 2hkk h PHE 225 N 0.59 0.59 0.00 -1.35 -1.00 -1.27 -2.19 116.94 112.31 2hkk h PHE 225 Ca 0.08 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2hkk h PHE 225 Cb 0.75 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.17 2hkk h PHE 225 CO 0.03 0.12 0.00 0.54 -1.61 0.00 0.00 178.31 177.40 2hkk n ARG 226 N -4.95 0.21 0.08 1.51 1.74 -0.88 -2.61 116.66 111.76 2hkk n ARG 226 Ca 0.14 0.11 0.12 0.00 -0.77 0.00 0.00 57.85 57.45 2hkk n ARG 226 Cb 0.38 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.54 2hkk n ARG 226 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2hkk h LYS 227 N 0.00 0.00 -7.27 5.56 1.57 -1.15 -3.40 116.57 111.87 2hkk h LYS 227 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2hkk h LYS 227 Cb 0.24 0.00 0.18 0.00 0.08 0.00 0.00 32.23 32.73 2hkk h LYS 227 CO 0.00 0.00 0.22 -0.51 -0.57 0.00 0.00 179.45 178.59 2hkk s LEU 228 N -4.46 2.57 -0.03 2.94 1.43 -1.07 -4.84 118.68 115.22 2hkk s LEU 228 Ca 0.07 1.94 0.07 0.00 -1.03 0.00 0.00 54.13 55.18 2hkk s LEU 228 Cb 0.12 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.99 2hkk s LEU 228 CO 0.69 -2.94 -0.24 0.20 0.23 0.00 0.00 176.35 174.29 2hkk s ASN 229 N -2.91 3.18 0.17 2.29 0.02 0.74 0.22 114.94 118.66 2hkk s ASN 229 Ca 0.65 -0.44 -0.02 0.00 -1.02 0.00 0.00 52.86 52.03 2hkk s ASN 229 Cb -0.21 -0.53 0.05 0.00 0.02 0.00 0.00 41.25 40.58 2hkk s ASN 229 CO 0.58 0.30 1.43 -0.26 0.02 0.00 0.00 177.10 179.17 2hkk h PHE 230 N 5.62 0.57 -4.39 2.20 0.05 -1.27 -3.36 116.94 116.35 2hkk h PHE 230 Ca -0.41 -0.25 -0.48 0.00 3.82 0.00 0.00 57.97 60.65 2hkk h PHE 230 Cb 1.14 -0.09 0.11 0.00 2.00 0.00 0.00 35.95 39.11 2hkk h PHE 230 CO 0.41 1.01 0.36 0.54 -0.18 0.00 0.00 178.31 180.45 2hkk s ASN 231 N -6.98 4.44 0.57 2.17 4.22 -1.26 -4.41 114.94 113.69 2hkk s ASN 231 Ca -0.06 1.06 -0.04 0.00 -2.14 0.00 0.00 52.86 51.68 2hkk s ASN 231 Cb 0.10 -1.71 0.01 0.00 1.28 0.00 0.00 41.25 40.94 2hkk s ASN 231 CO 0.84 -1.97 0.86 -0.83 -2.04 0.00 0.00 177.10 173.95 2hkk s GLY 232 N -4.19 1.62 0.32 0.45 0.00 -1.26 -0.57 107.32 103.69 2hkk s GLY 232 Ca 0.61 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 44.21 2hkk s GLY 232 CO 0.52 -0.57 1.30 -2.21 0.00 0.00 0.00 173.10 172.14 2hkk n GLU 233 N -2.49 2.08 -0.98 2.90 2.13 -1.26 -1.97 120.64 121.05 2hkk n GLU 233 Ca 0.04 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2hkk n GLU 233 Cb 0.58 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.97 2hkk n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hkk n GLY 234 N 1.08 0.50 3.89 8.31 0.00 -1.26 -5.02 105.19 112.68 2hkk n GLY 234 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2hkk n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hkk s GLU 235 N -0.34 2.93 0.39 1.61 2.02 -0.83 -5.08 118.70 119.41 2hkk s GLU 235 Ca 0.00 -1.12 -0.27 0.00 0.02 0.00 0.00 54.97 53.60 2hkk s GLU 235 Cb 0.00 -2.61 -0.11 0.00 0.10 0.00 0.00 34.13 31.51 2hkk s GLU 235 CO 0.00 0.20 1.47 -2.30 0.02 0.00 0.00 175.26 174.65 2hkk n PRO 236 N -1.39 2.56 -2.35 0.39 -0.02 -1.26 -4.89 135.00 128.05 2hkk n PRO 236 Ca -0.04 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 2hkk n PRO 236 Cb 0.59 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2hkk n PRO 236 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2hkk s GLU 237 N -2.17 4.30 -0.26 -0.52 2.12 -1.26 -4.76 118.70 116.15 2hkk s GLU 237 Ca 0.55 1.80 0.01 0.00 0.36 0.00 0.00 54.97 57.69 2hkk s GLU 237 Cb -0.47 -3.62 0.07 0.00 0.26 0.00 0.00 34.13 30.36 2hkk s GLU 237 CO 0.62 -0.56 -0.03 -2.00 -0.54 0.00 0.00 175.26 172.76 2hkk s GLU 238 N 2.61 1.53 0.24 4.30 2.12 -1.26 -5.06 118.70 123.18 2hkk s GLU 238 Ca 0.59 -1.14 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 2hkk s GLU 238 Cb -0.27 -2.62 -0.10 0.00 0.26 0.00 0.00 34.13 31.40 2hkk s GLU 238 CO 0.22 -0.69 1.48 -0.51 -0.54 0.00 0.00 175.26 175.23 2hkk s LEU 239 N 1.34 4.38 -0.98 2.70 1.43 -1.26 -0.92 118.68 125.36 2hkk s LEU 239 Ca -0.02 2.69 -0.24 0.00 -1.03 0.00 0.00 54.13 55.54 2hkk s LEU 239 Cb -0.19 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2hkk s LEU 239 CO -0.08 -0.75 1.70 -0.32 0.23 0.00 0.00 176.35 177.13 2hkk s MET 240 N -0.10 3.09 0.09 1.70 -2.45 0.13 -4.58 119.30 117.18 2hkk s MET 240 Ca 0.62 -0.77 -0.00 0.00 -1.25 0.00 0.00 55.69 54.28 2hkk s MET 240 Cb -0.43 -5.23 -0.04 0.00 1.25 0.00 0.00 34.83 30.38 2hkk s MET 240 CO 0.42 -2.80 -0.00 0.14 1.05 0.00 0.00 175.02 173.82 2hkk s VAL 241 N 7.49 0.27 -1.43 10.11 -7.23 -1.26 -4.50 120.40 123.84 2hkk s VAL 241 Ca 0.58 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2hkk s VAL 241 Cb -0.03 -1.75 0.04 0.00 0.56 0.00 0.00 36.38 35.20 2hkk s VAL 241 CO -0.04 -0.77 0.71 0.47 -0.31 0.00 0.00 175.10 175.15 2hkk n ASP 242 N 0.00 -2.13 -2.62 4.85 10.43 -0.46 -4.87 116.55 121.74 2hkk n ASP 242 Ca -0.10 -0.88 -0.31 0.00 2.57 0.00 0.00 54.79 56.07 2hkk n ASP 242 Cb 0.62 -3.62 -0.03 0.00 1.84 0.00 0.00 41.12 39.93 2hkk n ASP 242 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2hkk n ASN 243 N -2.94 6.77 -4.28 -2.24 6.94 -1.11 -4.91 115.26 113.50 2hkk n ASN 243 Ca -0.17 -3.37 -0.27 0.00 -0.02 0.00 0.00 54.58 50.74 2hkk n ASN 243 Cb 0.62 -1.19 -0.14 0.00 -2.36 0.00 0.00 39.78 36.70 2hkk n ASN 243 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2hkk s TRP 244 N -2.32 1.98 0.01 -2.53 1.48 -1.26 -4.56 118.94 111.73 2hkk s TRP 244 Ca 0.57 -0.39 -0.20 0.00 -1.06 0.00 0.00 56.10 55.03 2hkk s TRP 244 Cb 0.39 -1.20 -0.06 0.00 -1.16 0.00 0.00 33.47 31.45 2hkk s TRP 244 CO -0.27 0.09 0.58 0.50 -4.06 0.00 0.00 176.95 173.78 2hkk s ARG 245 N -1.11 4.27 0.92 3.25 3.52 -1.26 -4.97 118.95 123.58 2hkk s ARG 245 Ca 0.09 0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 56.27 2hkk s ARG 245 Cb -0.09 -3.32 0.14 0.00 -1.56 0.00 0.00 34.95 30.12 2hkk s ARG 245 CO 0.02 0.43 1.13 -1.25 -0.81 0.00 0.00 175.30 174.82 2hkk s PRO 246 N -0.40 1.05 0.33 5.12 0.04 -1.26 -4.60 135.00 135.29 2hkk s PRO 246 Ca 0.30 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 2hkk s PRO 246 Cb -0.18 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 2hkk s PRO 246 CO 0.17 -2.27 1.41 0.00 0.04 0.00 0.00 177.00 176.36 2hkk n ALA 247 N -3.82 1.80 -2.63 8.56 0.00 -1.26 -4.29 120.51 118.87 2hkk n ALA 247 Ca 0.06 0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2hkk n ALA 247 Cb 0.59 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 2hkk n ALA 247 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2hkk s GLN 248 N -1.58 2.30 0.20 0.00 -1.52 0.10 -4.93 119.66 114.23 2hkk s GLN 248 Ca 0.57 -1.44 -0.32 0.00 -1.95 0.00 0.00 55.36 52.22 2hkk s GLN 248 Cb -0.54 -2.16 -0.14 0.00 -0.22 0.00 0.00 33.01 29.96 2hkk s GLN 248 CO 0.59 0.33 1.49 -2.30 -0.25 0.00 0.00 175.29 175.16 2hkk n PRO 249 N -0.92 2.09 0.11 2.91 -0.02 -1.26 -4.55 135.00 133.36 2hkk n PRO 249 Ca -0.06 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 2hkk n PRO 249 Cb 0.59 -2.46 0.27 0.00 -0.02 0.00 0.00 33.50 31.88 2hkk n PRO 249 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2hkk h LEU 250 N 5.01 0.20 -1.67 2.45 5.85 -1.95 -3.43 115.31 121.77 2hkk h LEU 250 Ca -0.45 -0.08 -0.40 0.00 0.84 0.00 0.00 57.88 57.79 2hkk h LEU 250 Cb 1.27 -0.05 0.08 0.00 0.37 0.00 0.00 40.66 42.32 2hkk h LEU 250 CO 0.82 0.56 -0.81 0.29 -0.34 0.00 0.00 178.44 178.96 2hkk n LYS 251 N -4.06 -5.44 -1.30 1.25 4.76 -1.26 -2.32 118.16 109.79 2hkk n LYS 251 Ca -0.01 0.68 -0.11 0.00 -2.87 0.00 0.00 58.31 55.99 2hkk n LYS 251 Cb 0.44 -5.38 -0.05 0.00 -1.84 0.00 0.00 35.03 28.20 2hkk n LYS 251 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2hkk n ASN 252 N -3.06 -5.20 -4.76 4.39 5.03 -1.26 -4.98 115.26 105.42 2hkk n ASN 252 Ca -0.27 0.28 -0.32 0.00 0.87 0.00 0.00 54.58 55.15 2hkk n ASN 252 Cb 0.66 -3.98 0.08 0.00 -1.02 0.00 0.00 39.78 35.52 2hkk n ASN 252 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2hkk s ARG 253 N -2.90 2.39 -0.10 3.52 0.52 -0.98 -5.05 118.95 116.35 2hkk s ARG 253 Ca 0.00 1.31 0.02 0.00 -0.52 0.00 0.00 55.73 56.54 2hkk s ARG 253 Cb 0.00 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.55 2hkk s ARG 253 CO 0.00 -1.56 -0.16 -0.65 0.02 0.00 0.00 175.30 172.95 2hkk s GLN 254 N -4.52 3.07 -0.23 3.54 -0.21 -1.26 -5.04 119.66 115.00 2hkk s GLN 254 Ca 0.64 -0.73 -0.12 0.00 0.02 0.00 0.00 55.36 55.17 2hkk s GLN 254 Cb -0.19 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.28 2hkk s GLN 254 CO 0.50 0.32 0.23 0.42 -2.12 0.00 0.00 175.29 174.64 2hkk s ILE 255 N 0.06 5.31 -0.03 1.08 1.01 -1.26 -4.62 121.20 122.74 2hkk s ILE 255 Ca -0.06 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.90 2hkk s ILE 255 Cb -0.15 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2hkk s ILE 255 CO 0.05 0.31 0.12 -0.54 0.00 0.00 0.00 174.94 174.88 2hkk s LYS 256 N 1.22 3.27 -0.02 2.79 1.02 -0.32 -2.40 119.74 125.30 2hkk s LYS 256 Ca 0.11 -0.36 -0.00 0.00 0.02 0.00 0.00 55.97 55.74 2hkk s LYS 256 Cb -0.14 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2hkk s LYS 256 CO 0.06 0.69 0.06 0.00 -0.92 0.00 0.00 175.35 175.23 2hkk s ALA 257 N -1.19 3.50 -1.70 5.17 0.00 0.66 -0.76 121.76 127.43 2hkk s ALA 257 Ca 0.22 -0.87 0.28 0.00 0.00 0.00 0.00 51.96 51.59 2hkk s ALA 257 Cb -0.12 -1.53 1.03 0.00 0.00 0.00 0.00 23.12 22.50 2hkk s ALA 257 CO 0.13 0.67 1.74 -1.13 0.00 0.00 0.00 175.76 177.17 2hkk n SER 258 N 1.35 0.71 0.00 0.00 3.41 -0.33 -0.98 113.62 117.77 2hkk n SER 258 Ca -0.14 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 2hkk n SER 258 Cb 0.53 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2hkk n SER 258 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10