#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnk s TRP 5 N 0.00 3.28 0.00 4.41 1.48 -1.26 -4.85 118.94 122.00 1cnk s TRP 5 Ca 0.00 1.35 0.00 0.00 -1.06 0.00 0.00 56.10 56.39 1cnk s TRP 5 Cb 0.00 -2.84 0.00 0.00 -1.16 0.00 0.00 33.47 29.47 1cnk s TRP 5 CO 0.00 -1.07 0.00 0.41 -4.06 0.00 0.00 176.95 172.23 1cnk n GLY 6 N -2.29 2.08 0.09 3.67 0.00 0.60 -5.01 105.19 104.33 1cnk n GLY 6 Ca 0.07 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1cnk n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cnk n TYR 7 N 0.00 0.07 -2.04 1.61 4.01 -1.26 -3.62 117.16 115.93 1cnk n TYR 7 Ca 0.00 -0.59 -0.28 0.00 -0.16 0.00 0.00 57.90 56.86 1cnk n TYR 7 Cb 0.00 -0.07 0.15 0.00 -0.31 0.00 0.00 39.34 39.11 1cnk n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cnk s GLY 8 N -1.34 1.74 0.35 2.72 0.00 -1.26 -4.68 107.32 104.85 1cnk s GLY 8 Ca 0.09 -1.15 0.10 0.00 0.00 0.00 0.00 44.72 43.75 1cnk s GLY 8 CO 0.02 -0.49 1.81 1.70 0.00 0.00 0.00 173.10 176.14 1cnk h LYS 9 N -1.31 0.12 0.00 2.90 1.63 -1.96 0.20 116.57 118.16 1cnk h LYS 9 Ca -0.44 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1cnk h LYS 9 Cb 1.26 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1cnk h LYS 9 CO 0.45 0.44 -0.67 0.72 -3.45 0.00 0.00 179.45 176.94 1cnk n HIS 10 N -4.12 0.27 -1.58 1.91 8.25 -1.26 -4.36 115.22 114.34 1cnk n HIS 10 Ca -0.02 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1cnk n HIS 10 Cb 0.39 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1cnk n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cnk n ASN 11 N -1.84 0.10 -4.13 0.41 0.23 -1.17 -4.97 115.26 103.89 1cnk n ASN 11 Ca 0.04 -1.67 -0.29 0.00 -0.53 0.00 0.00 54.58 52.13 1cnk n ASN 11 Cb 0.40 -0.13 0.19 0.00 -2.08 0.00 0.00 39.78 38.15 1cnk n ASN 11 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1cnk s GLY 12 N -0.69 1.80 0.30 4.83 0.00 0.71 -0.29 107.32 113.97 1cnk s GLY 12 Ca 0.01 -1.33 0.18 0.00 0.00 0.00 0.00 44.72 43.58 1cnk s GLY 12 CO 0.00 -0.56 1.24 -1.05 0.00 0.00 0.00 173.10 172.73 1cnk n PRO 13 N -3.69 -0.04 0.20 2.90 -0.02 -1.25 0.40 135.00 133.50 1cnk n PRO 13 Ca 0.16 1.06 0.15 0.00 -2.02 0.00 0.00 63.50 62.85 1cnk n PRO 13 Cb 0.59 -1.95 0.59 0.00 -0.02 0.00 0.00 33.50 32.72 1cnk n PRO 13 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1cnk h GLU 14 N 0.00 0.00 0.00 -0.52 9.09 -1.93 -3.11 114.58 118.11 1cnk h GLU 14 Ca 0.67 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 60.03 1cnk h GLU 14 Cb 1.87 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.96 1cnk h GLU 14 CO -0.55 0.00 -2.04 0.72 0.05 0.00 0.00 179.01 177.19 1cnk n HIS 15 N -2.66 0.00 -0.33 2.06 8.25 0.16 -4.63 115.22 118.08 1cnk n HIS 15 Ca 0.01 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.75 1cnk n HIS 15 Cb 0.26 -0.57 0.58 0.00 1.12 0.00 0.00 29.99 31.39 1cnk n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1cnk h TRP 16 N 0.00 0.48 -0.24 4.41 6.55 -1.51 -1.52 115.95 124.12 1cnk h TRP 16 Ca -0.09 0.02 0.07 0.00 0.95 0.00 0.00 58.89 59.84 1cnk h TRP 16 Cb 1.18 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 29.33 1cnk h TRP 16 CO 0.00 0.02 0.21 1.12 -1.05 0.00 0.00 178.44 178.74 1cnk h HIS 17 N 0.26 0.00 0.00 0.49 2.07 -1.79 0.12 115.15 116.30 1cnk h HIS 17 Ca 0.61 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 58.05 1cnk h HIS 17 Cb 1.80 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.77 1cnk h HIS 17 CO -0.00 0.00 -0.36 0.87 -3.07 0.00 0.00 177.93 175.37 1cnk h LYS 18 N 0.00 0.00 0.00 5.12 1.57 -1.62 -2.82 116.57 118.82 1cnk h LYS 18 Ca 0.12 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1cnk h LYS 18 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1cnk h LYS 18 CO -0.00 0.36 -1.79 -0.25 -0.57 0.00 0.00 179.45 177.20 1cnk n ASP 19 N -4.05 1.42 -3.61 0.86 8.00 -0.82 -4.78 116.55 113.57 1cnk n ASP 19 Ca -0.02 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.20 1cnk n ASP 19 Cb 0.40 1.51 -0.12 0.00 -0.02 0.00 0.00 41.12 42.89 1cnk n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cnk s PHE 20 N -2.91 1.86 0.43 1.24 0.08 0.37 -4.99 117.98 114.07 1cnk s PHE 20 Ca -0.06 -2.51 0.21 0.00 0.12 0.00 0.00 56.93 54.69 1cnk s PHE 20 Cb 0.09 -1.60 1.17 0.00 -0.57 0.00 0.00 43.02 42.11 1cnk s PHE 20 CO 0.64 -0.75 1.82 -1.35 -0.10 0.00 0.00 175.22 175.47 1cnk h PRO 21 N 6.05 0.32 0.00 0.24 0.11 -1.73 -0.25 132.00 136.74 1cnk h PRO 21 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1cnk h PRO 21 Cb 0.89 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1cnk h PRO 21 CO 0.47 0.21 0.02 1.51 -0.21 0.00 0.00 178.00 180.00 1cnk n ILE 22 N -4.51 1.19 -0.28 4.15 3.06 -1.26 -2.12 119.36 119.59 1cnk n ILE 22 Ca 0.22 0.69 0.24 0.00 -2.50 0.00 0.00 62.75 61.40 1cnk n ILE 22 Cb 0.85 -1.69 0.57 0.00 0.54 0.00 0.00 39.64 39.90 1cnk n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cnk h ALA 23 N 1.94 2.42 -0.71 1.51 0.00 -1.36 0.89 119.26 123.94 1cnk h ALA 23 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1cnk h ALA 23 Cb 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 1cnk h ALA 23 CO 0.00 -0.75 0.23 1.63 0.00 0.00 0.00 179.25 180.36 1cnk n LYS 24 N -4.48 3.92 -0.48 0.00 5.02 -0.90 -4.92 118.16 116.31 1cnk n LYS 24 Ca 0.22 -3.04 -0.18 0.00 -2.02 0.00 0.00 58.31 53.29 1cnk n LYS 24 Cb 0.87 -2.22 0.16 0.00 -0.02 0.00 0.00 35.03 33.82 1cnk n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cnk n GLY 25 N 0.00 -3.01 0.29 0.72 0.00 0.31 -4.98 105.19 98.53 1cnk n GLY 25 Ca 0.38 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 45.11 1cnk n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cnk n GLU 26 N -3.73 0.85 -2.55 1.61 -0.58 -1.26 -4.32 120.64 110.66 1cnk n GLU 26 Ca 0.09 -0.59 -0.10 0.00 -0.42 0.00 0.00 57.16 56.14 1cnk n GLU 26 Cb 0.35 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.77 1cnk n GLU 26 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1cnk n ARG 27 N -0.56 2.34 -3.01 3.49 0.63 -1.26 -4.54 116.66 113.75 1cnk n ARG 27 Ca 0.10 -3.74 -0.32 0.00 -0.92 0.00 0.00 57.85 52.97 1cnk n ARG 27 Cb 0.38 -1.81 -0.06 0.00 0.45 0.00 0.00 32.46 31.42 1cnk n ARG 27 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1cnk s GLN 28 N -3.65 4.06 0.24 -0.14 -1.52 -1.26 -2.24 119.66 115.14 1cnk s GLN 28 Ca 0.36 0.80 0.11 0.00 -1.95 0.00 0.00 55.36 54.67 1cnk s GLN 28 Cb 0.37 -2.35 -0.05 0.00 -0.22 0.00 0.00 33.01 30.76 1cnk s GLN 28 CO -0.02 0.08 -0.19 -1.12 -0.25 0.00 0.00 175.29 173.79 1cnk s SER 29 N -2.31 3.22 0.88 5.90 0.01 -1.26 -4.66 113.70 115.49 1cnk s SER 29 Ca 0.57 -0.98 -0.09 0.00 1.31 0.00 0.00 55.95 56.76 1cnk s SER 29 Cb -0.10 -0.24 0.17 0.00 0.21 0.00 0.00 66.02 66.07 1cnk s SER 29 CO 0.17 -0.00 1.09 -0.81 0.41 0.00 0.00 173.24 174.10 1cnk n PRO 30 N -0.31 -0.71 -4.20 12.44 -0.04 -1.26 -4.65 135.00 136.27 1cnk n PRO 30 Ca -0.08 -2.15 -0.12 0.00 -0.04 0.00 0.00 63.50 61.12 1cnk n PRO 30 Cb 0.59 -0.98 -0.10 0.00 -0.04 0.00 0.00 33.50 32.97 1cnk n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cnk s VAL 31 N -3.30 0.24 -0.01 0.52 -7.23 -1.26 0.01 120.40 109.36 1cnk s VAL 31 Ca 0.66 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 1cnk s VAL 31 Cb -0.03 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1cnk s VAL 31 CO 0.45 -0.30 0.56 -0.62 -0.31 0.00 0.00 175.10 174.88 1cnk s ASP 32 N -3.13 6.93 -0.41 4.85 2.15 -1.26 -3.28 116.67 122.51 1cnk s ASP 32 Ca 0.29 1.10 -0.17 0.00 0.43 0.00 0.00 52.55 54.20 1cnk s ASP 32 Cb 0.07 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.37 1cnk s ASP 32 CO 0.06 0.12 0.42 -0.63 -0.17 0.00 0.00 175.17 174.97 1cnk s ILE 33 N -0.21 5.11 -0.58 4.11 1.01 0.12 -4.94 121.20 125.81 1cnk s ILE 33 Ca 0.30 -0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1cnk s ILE 33 Cb -0.18 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.33 1cnk s ILE 33 CO 0.16 -0.39 0.91 -0.62 0.00 0.00 0.00 174.94 174.99 1cnk s ASP 34 N 1.79 6.26 0.66 3.58 2.15 -1.26 -0.21 116.67 129.65 1cnk s ASP 34 Ca 0.11 -0.66 0.38 0.00 0.43 0.00 0.00 52.55 52.81 1cnk s ASP 34 Cb -0.17 -2.41 2.09 0.00 -0.30 0.00 0.00 42.92 42.13 1cnk s ASP 34 CO 0.13 -1.26 2.19 0.71 -0.17 0.00 0.00 175.17 176.77 1cnk h THR 35 N 5.98 0.04 0.00 1.71 1.35 -1.95 -0.81 112.91 119.23 1cnk h THR 35 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1cnk h THR 35 Cb 1.08 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1cnk h THR 35 CO 1.11 0.00 -0.73 1.41 -0.25 0.00 0.00 175.52 177.06 1cnk n HIS 36 N -3.07 0.04 0.49 4.73 8.25 -1.26 -3.98 115.22 120.41 1cnk n HIS 36 Ca -0.02 0.01 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 1cnk n HIS 36 Cb 0.20 -0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.04 1cnk n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1cnk n THR 37 N -1.56 0.00 -2.19 1.59 -1.04 -0.40 -4.95 114.28 105.72 1cnk n THR 37 Ca 0.05 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 1cnk n THR 37 Cb 0.35 0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 69.66 1cnk n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cnk s ALA 38 N -2.38 3.59 -0.26 2.41 0.00 -0.66 -4.83 121.76 119.63 1cnk s ALA 38 Ca 0.03 0.95 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1cnk s ALA 38 Cb 0.10 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1cnk s ALA 38 CO 0.54 -0.86 1.02 0.21 0.00 0.00 0.00 175.76 176.66 1cnk s LYS 39 N 2.15 4.19 0.09 0.00 2.36 -0.63 -4.75 119.74 123.14 1cnk s LYS 39 Ca 0.65 1.22 -0.31 0.00 -2.55 0.00 0.00 55.97 54.98 1cnk s LYS 39 Cb -0.33 -3.67 -0.08 0.00 -1.05 0.00 0.00 37.83 32.71 1cnk s LYS 39 CO 0.28 -0.68 1.44 -0.47 1.55 0.00 0.00 175.35 177.47 1cnk s TYR 40 N 3.26 3.04 -0.31 4.03 5.04 -1.26 -0.32 117.35 130.82 1cnk s TYR 40 Ca 0.43 0.81 0.04 0.00 -2.44 0.00 0.00 57.07 55.91 1cnk s TYR 40 Cb -0.14 -3.74 0.09 0.00 0.35 0.00 0.00 41.96 38.52 1cnk s TYR 40 CO 0.09 -2.68 -0.01 0.34 -1.34 0.00 0.00 175.55 171.94 1cnk s ASP 41 N 1.44 4.65 0.00 4.32 -1.08 -0.36 -4.86 116.67 120.79 1cnk s ASP 41 Ca 0.66 -1.88 0.14 0.00 -0.52 0.00 0.00 52.55 50.95 1cnk s ASP 41 Cb -0.37 -1.60 0.66 0.00 -1.46 0.00 0.00 42.92 40.15 1cnk s ASP 41 CO 0.30 -0.31 1.41 -0.81 0.52 0.00 0.00 175.17 176.27 1cnk n PRO 42 N 4.32 0.11 0.00 4.34 -0.04 -1.26 -2.46 135.00 140.01 1cnk n PRO 42 Ca -0.03 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1cnk n PRO 42 Cb 0.42 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.77 1cnk n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cnk n SER 43 N -1.38 0.73 -4.73 3.54 3.41 -1.26 -4.86 113.62 109.07 1cnk n SER 43 Ca 0.05 -0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 57.66 1cnk n SER 43 Cb 0.13 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1cnk n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cnk s LEU 44 N -2.66 4.40 0.51 1.04 1.43 -1.03 -5.01 118.68 117.37 1cnk s LEU 44 Ca 0.21 2.31 -0.05 0.00 -1.03 0.00 0.00 54.13 55.57 1cnk s LEU 44 Cb 0.19 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 1cnk s LEU 44 CO 0.56 -0.53 0.81 -0.54 0.23 0.00 0.00 176.35 176.89 1cnk s LYS 45 N 0.33 3.26 0.61 1.70 -0.14 -1.22 -4.98 119.74 119.31 1cnk s LYS 45 Ca 0.58 0.04 -0.18 0.00 -1.36 0.00 0.00 55.97 55.06 1cnk s LYS 45 Cb -0.35 -2.36 -0.02 0.00 -1.68 0.00 0.00 37.83 33.41 1cnk s LYS 45 CO 0.35 -0.39 1.16 -2.14 -0.76 0.00 0.00 175.35 173.57 1cnk s PRO 46 N -4.80 2.94 0.62 -1.68 0.02 -1.26 -2.62 135.00 128.22 1cnk s PRO 46 Ca 0.50 1.65 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 1cnk s PRO 46 Cb -0.10 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 1cnk s PRO 46 CO 0.44 -1.19 1.07 -0.51 -0.33 0.00 0.00 177.00 176.49 1cnk s LEU 47 N -4.31 3.43 -0.24 -5.54 1.43 -1.26 -1.40 118.68 110.79 1cnk s LEU 47 Ca 0.73 1.84 -0.02 0.00 -1.03 0.00 0.00 54.13 55.66 1cnk s LEU 47 Cb -0.26 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.50 1cnk s LEU 47 CO 0.35 -1.32 0.05 -0.55 0.23 0.00 0.00 176.35 175.10 1cnk s SER 48 N -2.84 3.45 -0.36 2.29 0.15 0.22 -4.84 113.70 111.77 1cnk s SER 48 Ca 0.64 -1.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.03 1cnk s SER 48 Cb -0.17 -0.76 0.03 0.00 -1.71 0.00 0.00 66.02 63.41 1cnk s SER 48 CO 0.40 -0.34 0.16 -0.69 1.20 0.00 0.00 173.24 173.98 1cnk s VAL 49 N 1.72 4.24 -0.74 4.45 1.01 -1.26 -0.82 120.40 129.00 1cnk s VAL 49 Ca 0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1cnk s VAL 49 Cb -0.17 -3.39 0.19 0.00 0.00 0.00 0.00 36.38 33.01 1cnk s VAL 49 CO -0.15 -0.22 0.60 -0.44 0.00 0.00 0.00 175.10 174.90 1cnk s SER 50 N 1.49 5.72 -0.19 3.32 0.01 0.02 -4.90 113.70 119.16 1cnk s SER 50 Ca 0.00 -3.10 0.16 0.00 1.31 0.00 0.00 55.95 54.33 1cnk s SER 50 Cb -0.19 -1.93 0.60 0.00 0.21 0.00 0.00 66.02 64.71 1cnk s SER 50 CO 0.05 -0.34 1.50 -1.22 0.41 0.00 0.00 173.24 173.64 1cnk n TYR 51 N 3.21 1.22 0.19 2.43 4.01 -1.26 -1.97 117.16 124.99 1cnk n TYR 51 Ca 0.13 -0.84 0.04 0.00 -0.16 0.00 0.00 57.90 57.07 1cnk n TYR 51 Cb 0.39 -0.36 0.36 0.00 -0.31 0.00 0.00 39.34 39.42 1cnk n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1cnk h ASP 52 N 2.36 0.00 -0.45 7.72 2.03 -1.91 -3.10 116.42 123.07 1cnk h ASP 52 Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 1cnk h ASP 52 Cb 1.57 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.98 1cnk h ASP 52 CO 0.29 0.39 0.08 0.00 -1.03 0.00 0.00 179.24 178.96 1cnk n GLN 53 N -3.78 2.52 -2.03 4.15 1.13 -1.24 -5.02 117.38 113.11 1cnk n GLN 53 Ca -0.01 -3.04 -0.41 0.00 -1.94 0.00 0.00 57.00 51.59 1cnk n GLN 53 Cb 0.46 -1.93 -0.02 0.00 0.11 0.00 0.00 30.24 28.87 1cnk n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cnk s ALA 54 N -3.08 3.56 -0.37 -1.58 0.00 -1.17 -4.55 121.76 114.57 1cnk s ALA 54 Ca 0.47 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.78 1cnk s ALA 54 Cb 0.40 -3.53 0.11 0.00 0.00 0.00 0.00 23.12 20.10 1cnk s ALA 54 CO 0.06 -0.73 0.11 0.99 0.00 0.00 0.00 175.76 176.18 1cnk s THR 55 N -0.64 2.02 0.42 0.00 2.01 -1.26 -4.91 115.64 113.28 1cnk s THR 55 Ca 0.54 -2.36 -0.23 0.00 0.31 0.00 0.00 61.69 59.95 1cnk s THR 55 Cb -0.41 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 69.53 1cnk s THR 55 CO 0.50 -0.67 1.01 -0.94 -0.69 0.00 0.00 174.62 173.83 1cnk s SER 56 N 0.78 6.77 -0.06 3.53 1.04 -1.26 -0.48 113.70 124.01 1cnk s SER 56 Ca 0.12 1.90 -0.09 0.00 0.48 0.00 0.00 55.95 58.37 1cnk s SER 56 Cb -0.20 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 1cnk s SER 56 CO -0.09 -0.48 -0.18 0.18 0.98 0.00 0.00 173.24 173.65 1cnk n LEU 57 N -0.36 1.44 -3.94 2.42 4.77 0.59 -4.07 117.00 117.84 1cnk n LEU 57 Ca 0.06 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1cnk n LEU 57 Cb 0.51 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1cnk n LEU 57 CO 0.42 -0.36 0.32 0.00 -1.33 0.00 0.00 177.39 176.43 1cnk s ARG 58 N -2.42 1.90 -0.03 3.23 1.70 -1.23 -0.30 118.95 121.80 1cnk s ARG 58 Ca -0.16 -1.41 0.05 0.00 -0.47 0.00 0.00 55.73 53.74 1cnk s ARG 58 Cb 0.03 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.93 1cnk s ARG 58 CO 0.22 -0.84 -0.18 -1.50 -1.08 0.00 0.00 175.30 171.92 1cnk s ILE 59 N -3.20 1.49 -0.01 4.99 2.07 -0.16 -0.91 121.20 125.47 1cnk s ILE 59 Ca 0.21 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 1cnk s ILE 59 Cb -0.03 -1.26 0.01 0.00 0.13 0.00 0.00 42.46 41.31 1cnk s ILE 59 CO 0.13 0.43 0.00 -0.22 -1.91 0.00 0.00 174.94 173.36 1cnk s LEU 60 N -0.21 1.57 -0.38 8.50 2.96 0.16 -1.10 118.68 130.18 1cnk s LEU 60 Ca 0.02 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.73 1cnk s LEU 60 Cb -0.10 -0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.50 1cnk s LEU 60 CO 0.01 -0.05 0.54 0.21 -1.32 0.00 0.00 176.35 175.74 1cnk s ASN 61 N 0.50 6.31 -0.11 3.68 3.84 -0.40 -0.55 114.94 128.21 1cnk s ASN 61 Ca -0.04 -0.16 0.18 0.00 0.21 0.00 0.00 52.86 53.04 1cnk s ASN 61 Cb -0.07 -2.28 0.68 0.00 -0.55 0.00 0.00 41.25 39.04 1cnk s ASN 61 CO -0.01 -0.56 1.60 -0.46 -2.79 0.00 0.00 177.10 174.88 1cnk n ASN 62 N 5.84 4.60 0.00 -4.21 0.23 -0.76 -0.35 115.26 120.61 1cnk n ASN 62 Ca -0.04 -2.45 0.00 0.00 -0.53 0.00 0.00 54.58 51.56 1cnk n ASN 62 Cb 0.48 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1cnk n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cnk n GLY 63 N 0.99 1.96 0.00 4.83 0.00 -1.26 -4.75 105.19 106.96 1cnk n GLY 63 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1cnk n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cnk n HIS 64 N -2.00 0.00 -3.69 1.61 8.25 -1.26 -4.70 115.22 113.42 1cnk n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cnk n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1cnk n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cnk n ALA 65 N -1.46 -1.04 -3.22 -1.41 0.00 -1.26 -4.87 120.51 107.25 1cnk n ALA 65 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 1cnk n ALA 65 Cb 0.28 0.15 -0.17 0.00 0.00 0.00 0.00 19.45 19.71 1cnk n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1cnk s PHE 66 N -4.02 2.37 -0.06 0.00 -0.12 -1.26 -1.83 117.98 113.05 1cnk s PHE 66 Ca 0.09 -0.94 -0.01 0.00 -0.05 0.00 0.00 56.93 56.02 1cnk s PHE 66 Cb -0.01 -1.59 -0.03 0.00 -0.63 0.00 0.00 43.02 40.75 1cnk s PHE 66 CO 0.01 -0.38 -0.00 -0.80 -0.05 0.00 0.00 175.22 174.00 1cnk s ASN 67 N 0.35 5.17 -0.23 1.98 0.01 0.28 -4.30 114.94 118.21 1cnk s ASN 67 Ca -0.17 0.10 -0.07 0.00 -0.71 0.00 0.00 52.86 52.01 1cnk s ASN 67 Cb -0.17 -1.42 -0.03 0.00 0.41 0.00 0.00 41.25 40.04 1cnk s ASN 67 CO 0.08 0.35 0.05 -0.69 -1.51 0.00 0.00 177.10 175.38 1cnk s VAL 68 N -0.93 4.30 0.02 1.60 1.01 -0.41 -0.67 120.40 125.32 1cnk s VAL 68 Ca 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1cnk s VAL 68 Cb -0.11 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1cnk s VAL 68 CO 0.04 0.38 0.25 -1.61 0.00 0.00 0.00 175.10 174.16 1cnk s GLU 69 N 1.29 3.53 0.20 2.72 2.02 -0.09 -1.78 118.70 126.58 1cnk s GLU 69 Ca 0.05 -0.19 0.10 0.00 0.02 0.00 0.00 54.97 54.95 1cnk s GLU 69 Cb -0.15 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1cnk s GLU 69 CO 0.03 0.63 -0.21 -0.06 0.02 0.00 0.00 175.26 175.67 1cnk s PHE 70 N -1.37 2.12 -0.41 1.61 0.40 -0.48 -0.30 117.98 119.55 1cnk s PHE 70 Ca 0.30 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 1cnk s PHE 70 Cb -0.13 -1.03 0.02 0.00 0.51 0.00 0.00 43.02 42.39 1cnk s PHE 70 CO 0.19 0.47 1.24 0.34 0.70 0.00 0.00 175.22 178.16 1cnk s ASP 71 N -2.80 6.59 -0.40 1.36 2.15 0.37 -4.82 116.67 119.10 1cnk s ASP 71 Ca 0.20 0.77 0.05 0.00 0.43 0.00 0.00 52.55 54.01 1cnk s ASP 71 Cb -0.07 -2.54 0.50 0.00 -0.30 0.00 0.00 42.92 40.51 1cnk s ASP 71 CO 0.09 -1.24 1.59 -0.90 -0.17 0.00 0.00 175.17 174.55 1cnk n ASP 72 N 7.99 4.45 0.07 -0.34 5.75 -1.26 -4.60 116.55 128.60 1cnk n ASP 72 Ca 0.14 -3.76 0.13 0.00 -0.01 0.00 0.00 54.79 51.29 1cnk n ASP 72 Cb 0.48 -0.67 0.48 0.00 -1.03 0.00 0.00 41.12 40.38 1cnk n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1cnk n SER 73 N -0.98 0.51 -3.90 -1.12 3.41 -1.26 -4.88 113.62 105.40 1cnk n SER 73 Ca 0.46 0.55 -0.09 0.00 -0.26 0.00 0.00 58.87 59.53 1cnk n SER 73 Cb 1.01 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1cnk n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cnk s GLN 74 N -3.07 1.38 -0.92 4.33 -0.21 -1.26 -5.06 119.66 114.84 1cnk s GLN 74 Ca 0.12 -1.09 -0.17 0.00 0.02 0.00 0.00 55.36 54.23 1cnk s GLN 74 Cb 0.15 0.46 -0.11 0.00 1.00 0.00 0.00 33.01 34.51 1cnk s GLN 74 CO 0.56 -0.56 2.04 -0.25 -2.12 0.00 0.00 175.29 174.96 1cnk n ASP 75 N -0.32 3.42 -0.11 5.90 9.92 -1.26 -4.55 116.55 129.55 1cnk n ASP 75 Ca -0.06 -2.62 -0.22 0.00 -0.53 0.00 0.00 54.79 51.36 1cnk n ASP 75 Cb 0.62 -1.20 -0.11 0.00 -0.64 0.00 0.00 41.12 39.80 1cnk n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cnk n LYS 76 N 6.16 0.56 -3.96 -1.24 5.02 -1.26 -4.77 118.16 118.67 1cnk n LYS 76 Ca 0.50 0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 56.98 1cnk n LYS 76 Cb 0.34 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 1cnk n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cnk s ALA 77 N -2.41 2.81 0.21 7.82 0.00 -1.26 -3.67 121.76 125.27 1cnk s ALA 77 Ca -0.30 -2.05 0.09 0.00 0.00 0.00 0.00 51.96 49.70 1cnk s ALA 77 Cb 0.07 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1cnk s ALA 77 CO 0.55 -1.42 -0.16 0.14 0.00 0.00 0.00 175.76 174.87 1cnk s VAL 78 N 1.12 1.89 -0.04 0.00 -7.23 -0.83 -1.16 120.40 114.14 1cnk s VAL 78 Ca -0.01 -2.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 1cnk s VAL 78 Cb -0.20 -2.05 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 1cnk s VAL 78 CO -0.04 -0.50 -0.15 -0.22 -0.31 0.00 0.00 175.10 173.88 1cnk s LEU 79 N -3.21 1.86 0.00 1.32 2.96 0.40 -0.80 118.68 121.20 1cnk s LEU 79 Ca 0.22 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1cnk s LEU 79 Cb -0.03 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.84 1cnk s LEU 79 CO 0.08 0.12 0.41 2.29 -1.32 0.00 0.00 176.35 177.93 1cnk n LYS 80 N 3.24 0.59 0.00 1.98 2.85 0.00 -1.79 118.16 125.03 1cnk n LYS 80 Ca -0.19 -1.66 0.00 0.00 -1.05 0.00 0.00 58.31 55.42 1cnk n LYS 80 Cb 0.53 1.79 0.00 0.00 -0.65 0.00 0.00 35.03 36.70 1cnk n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1cnk n GLY 81 N -0.36 -0.68 7.00 2.58 0.00 -1.26 -0.61 105.19 111.86 1cnk n GLY 81 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1cnk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cnk n GLY 82 N 0.00 3.14 0.50 -0.02 0.00 -0.49 -0.89 105.19 107.43 1cnk n GLY 82 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1cnk n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cnk n PRO 83 N 14.00 1.68 -3.11 1.61 -0.04 -1.26 -3.38 135.00 144.50 1cnk n PRO 83 Ca 0.00 -1.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.11 1cnk n PRO 83 Cb 0.00 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 1cnk n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cnk s LEU 84 N -1.87 4.30 -0.12 1.53 1.43 -0.06 -5.07 118.68 118.81 1cnk s LEU 84 Ca 0.36 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.84 1cnk s LEU 84 Cb 0.20 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1cnk s LEU 84 CO 0.31 -0.00 -0.09 -1.81 0.23 0.00 0.00 176.35 174.99 1cnk s ASP 85 N -1.75 4.42 0.00 2.29 1.01 -1.26 -4.32 116.67 117.05 1cnk s ASP 85 Ca 0.45 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.52 1cnk s ASP 85 Cb -0.16 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.25 1cnk s ASP 85 CO 0.20 0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.41 1cnk n GLY 86 N 3.17 -2.38 3.39 0.21 0.00 -1.26 -4.91 105.19 103.41 1cnk n GLY 86 Ca -0.18 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 1cnk n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cnk s THR 87 N -0.54 2.97 -0.16 2.61 -1.32 -1.26 -4.61 115.64 113.33 1cnk s THR 87 Ca 0.00 -0.71 -0.03 0.00 -1.21 0.00 0.00 61.69 59.73 1cnk s THR 87 Cb 0.00 -2.21 -0.02 0.00 -1.51 0.00 0.00 72.50 68.75 1cnk s THR 87 CO 0.00 0.55 -0.04 -0.31 -2.21 0.00 0.00 174.62 172.61 1cnk s TYR 88 N -0.01 3.00 -0.07 9.09 1.51 -0.74 -1.47 117.35 128.66 1cnk s TYR 88 Ca -0.04 -0.38 -0.15 0.00 -1.01 0.00 0.00 57.07 55.49 1cnk s TYR 88 Cb -0.14 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1cnk s TYR 88 CO 0.04 -0.10 0.38 0.50 -1.11 0.00 0.00 175.55 175.27 1cnk s ARG 89 N 0.47 4.06 0.02 -0.62 3.52 -0.24 -0.46 118.95 125.72 1cnk s ARG 89 Ca -0.04 0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.57 1cnk s ARG 89 Cb -0.14 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1cnk s ARG 89 CO 0.03 0.47 1.30 -1.17 -0.81 0.00 0.00 175.30 175.12 1cnk s LEU 90 N -0.33 4.33 -0.06 -0.88 2.96 -0.31 -0.99 118.68 123.40 1cnk s LEU 90 Ca 0.22 2.05 0.03 0.00 -0.22 0.00 0.00 54.13 56.21 1cnk s LEU 90 Cb -0.15 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1cnk s LEU 90 CO 0.10 -0.61 -0.02 0.00 -1.32 0.00 0.00 176.35 174.50 1cnk n ILE 91 N 4.33 0.39 -3.59 6.68 3.06 -0.47 -4.52 119.36 125.24 1cnk n ILE 91 Ca 0.11 -0.20 -0.06 0.00 -2.50 0.00 0.00 62.75 60.11 1cnk n ILE 91 Cb 0.45 -0.80 -0.02 0.00 0.54 0.00 0.00 39.64 39.81 1cnk n ILE 91 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 1cnk s LEU 92 N -4.88 -0.27 0.04 9.51 0.05 -1.22 -1.38 118.68 120.54 1cnk s LEU 92 Ca -0.06 -0.13 0.01 0.00 0.05 0.00 0.00 54.13 54.00 1cnk s LEU 92 Cb 0.02 1.97 -0.03 0.00 -2.05 0.00 0.00 46.19 46.10 1cnk s LEU 92 CO 0.20 -0.65 -0.05 0.72 -0.55 0.00 0.00 176.35 176.02 1cnk s PHE 93 N -3.07 0.50 0.33 3.48 -0.12 -0.73 -0.67 117.98 117.70 1cnk s PHE 93 Ca 0.08 -0.69 -0.13 0.00 -0.05 0.00 0.00 56.93 56.14 1cnk s PHE 93 Cb -0.01 -0.33 0.03 0.00 -0.63 0.00 0.00 43.02 42.08 1cnk s PHE 93 CO -0.05 -0.20 0.65 -3.38 -0.05 0.00 0.00 175.22 172.19 1cnk s HIS 94 N -2.23 0.30 0.16 3.49 -3.43 -0.51 -1.29 115.29 111.77 1cnk s HIS 94 Ca -0.06 -0.78 0.05 0.00 -0.80 0.00 0.00 55.06 53.47 1cnk s HIS 94 Cb -0.04 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 1cnk s HIS 94 CO -0.03 -1.30 -0.12 -0.06 -2.00 0.00 0.00 174.74 171.23 1cnk s PHE 95 N -3.13 1.40 -0.06 0.38 0.40 -1.26 -0.64 117.98 115.07 1cnk s PHE 95 Ca 0.19 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1cnk s PHE 95 Cb -0.03 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.81 1cnk s PHE 95 CO 0.12 0.17 -0.14 -1.01 0.70 0.00 0.00 175.22 175.06 1cnk s HIS 96 N -3.15 1.57 0.24 0.36 3.76 -0.57 -4.75 115.29 112.75 1cnk s HIS 96 Ca 0.18 -0.56 -0.01 0.00 -0.15 0.00 0.00 55.06 54.52 1cnk s HIS 96 Cb 0.01 -1.12 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 1cnk s HIS 96 CO 0.02 -0.26 0.21 1.67 -0.85 0.00 0.00 174.74 175.53 1cnk s TRP 97 N 0.49 1.19 0.50 1.40 -2.14 -1.24 -0.98 118.94 118.17 1cnk s TRP 97 Ca -0.12 -1.36 0.07 0.00 2.66 0.00 0.00 56.10 57.34 1cnk s TRP 97 Cb -0.15 -0.49 0.02 0.00 -3.10 0.00 0.00 33.47 29.75 1cnk s TRP 97 CO 0.04 -0.74 0.42 0.20 -2.66 0.00 0.00 176.95 174.21 1cnk s GLY 98 N -3.19 2.24 0.30 3.67 0.00 -1.11 -1.15 107.32 108.07 1cnk s GLY 98 Ca 0.37 -1.59 0.23 0.00 0.00 0.00 0.00 44.72 43.73 1cnk s GLY 98 CO 0.15 -1.84 1.27 1.48 0.00 0.00 0.00 173.10 174.16 1cnk h SER 99 N 0.82 0.00 -3.96 1.64 4.64 -1.90 -3.39 113.55 111.41 1cnk h SER 99 Ca -0.38 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.61 1cnk h SER 99 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1cnk h SER 99 CO 0.56 0.00 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.06 1cnk s LEU 100 N -5.71 2.47 0.54 5.97 2.01 -1.26 -5.06 118.68 117.64 1cnk s LEU 100 Ca 0.03 -1.05 0.30 0.00 0.01 0.00 0.00 54.13 53.42 1cnk s LEU 100 Cb 0.08 -0.33 1.51 0.00 0.01 0.00 0.00 46.19 47.45 1cnk s LEU 100 CO 0.74 -0.36 2.08 0.44 1.01 0.00 0.00 176.35 180.26 1cnk h ASP 101 N 2.73 0.00 -0.26 2.29 5.19 -1.92 -3.02 116.42 121.43 1cnk h ASP 101 Ca -0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1cnk h ASP 101 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1cnk h ASP 101 CO 0.64 0.10 0.00 0.61 -3.12 0.00 0.00 179.24 177.46 1cnk n GLY 102 N -0.58 0.26 3.27 2.75 0.00 -1.26 -3.57 105.19 106.06 1cnk n GLY 102 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1cnk n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cnk s GLN 103 N -1.66 0.93 0.00 1.61 -2.07 -1.14 -4.65 119.66 112.68 1cnk s GLN 103 Ca 0.20 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1cnk s GLN 103 Cb 0.11 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 1cnk s GLN 103 CO 0.14 -0.33 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1cnk n GLY 104 N 0.12 2.18 3.82 2.60 0.00 -0.89 -3.01 105.19 110.02 1cnk n GLY 104 Ca -0.17 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1cnk n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cnk s SER 105 N 0.00 5.36 -0.25 1.61 1.04 -0.74 -3.62 113.70 117.09 1cnk s SER 105 Ca 0.00 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 57.84 1cnk s SER 105 Cb 0.00 -2.45 -0.15 0.00 0.10 0.00 0.00 66.02 63.52 1cnk s SER 105 CO 0.00 -1.45 -0.12 -0.62 0.98 0.00 0.00 173.24 172.03 1cnk n GLU 106 N -3.13 0.58 -2.47 4.02 1.02 -1.26 -4.83 120.64 114.56 1cnk n GLU 106 Ca 0.07 0.39 -0.33 0.00 -0.02 0.00 0.00 57.16 57.28 1cnk n GLU 106 Cb 0.54 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1cnk n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1cnk s HIS 107 N -2.45 3.32 0.04 -0.32 3.76 -1.26 -4.33 115.29 114.05 1cnk s HIS 107 Ca -0.35 1.52 0.04 0.00 -0.15 0.00 0.00 55.06 56.12 1cnk s HIS 107 Cb 0.11 -2.86 -0.02 0.00 1.11 0.00 0.00 32.58 30.92 1cnk s HIS 107 CO 0.53 -0.43 -0.11 0.95 -0.85 0.00 0.00 174.74 174.84 1cnk s THR 108 N -2.44 0.81 -0.26 1.30 -4.23 -1.20 -4.70 115.64 104.92 1cnk s THR 108 Ca 0.61 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.05 1cnk s THR 108 Cb -0.11 -0.80 0.01 0.00 1.34 0.00 0.00 72.50 72.95 1cnk s THR 108 CO 0.26 -0.20 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.44 1cnk s VAL 109 N -1.10 3.33 -1.52 2.29 1.01 -0.87 0.14 120.40 123.67 1cnk s VAL 109 Ca -0.04 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 1cnk s VAL 109 Cb -0.09 -2.67 0.08 0.00 0.00 0.00 0.00 36.38 33.70 1cnk s VAL 109 CO 0.01 0.20 0.92 0.47 0.00 0.00 0.00 175.10 176.69 1cnk n ASP 110 N 4.76 -4.09 0.00 3.32 8.00 0.71 0.00 116.55 129.25 1cnk n ASP 110 Ca -0.16 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1cnk n ASP 110 Cb 0.48 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1cnk n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cnk n LYS 111 N -4.60 0.00 -2.52 -1.24 4.76 -1.26 -4.98 118.16 108.31 1cnk n LYS 111 Ca -0.01 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1cnk n LYS 111 Cb 0.55 -2.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.23 1cnk n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1cnk s LYS 112 N -0.11 4.33 0.04 1.97 2.20 0.10 -4.98 119.74 123.30 1cnk s LYS 112 Ca 0.00 1.59 -0.07 0.00 -0.36 0.00 0.00 55.97 57.13 1cnk s LYS 112 Cb 0.00 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1cnk s LYS 112 CO 0.00 -0.49 0.30 0.15 -0.36 0.00 0.00 175.35 174.95 1cnk s LYS 113 N 2.51 3.61 0.50 4.03 1.02 -1.26 -2.06 119.74 128.08 1cnk s LYS 113 Ca 0.53 -0.05 0.07 0.00 0.02 0.00 0.00 55.97 56.54 1cnk s LYS 113 Cb -0.22 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1cnk s LYS 113 CO 0.18 0.61 0.50 0.71 -0.92 0.00 0.00 175.35 176.43 1cnk s TYR 114 N -1.37 1.99 0.27 3.18 1.51 -1.26 -4.69 117.35 116.98 1cnk s TYR 114 Ca 0.30 -0.68 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1cnk s TYR 114 Cb -0.13 -2.10 0.36 0.00 -0.11 0.00 0.00 41.96 39.99 1cnk s TYR 114 CO 0.18 -0.52 1.62 0.00 -1.11 0.00 0.00 175.55 175.72 1cnk h ALA 115 N 0.70 0.99 -2.94 3.71 0.00 -1.39 -1.83 119.26 118.48 1cnk h ALA 115 Ca -0.37 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.09 1cnk h ALA 115 Cb 1.29 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1cnk h ALA 115 CO 0.53 0.71 0.25 0.00 0.00 0.00 0.00 179.25 180.74 1cnk s ALA 116 N -3.76 -1.31 -0.06 0.00 0.00 -1.17 -2.77 121.76 112.70 1cnk s ALA 116 Ca -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1cnk s ALA 116 Cb 0.13 0.83 0.04 0.00 0.00 0.00 0.00 23.12 24.12 1cnk s ALA 116 CO 0.77 -1.00 0.11 -2.00 0.00 0.00 0.00 175.76 173.64 1cnk s GLU 117 N -3.84 0.00 -0.15 0.00 2.12 -0.15 -1.57 118.70 115.10 1cnk s GLU 117 Ca 0.10 0.42 -0.19 0.00 0.36 0.00 0.00 54.97 55.65 1cnk s GLU 117 Cb -0.05 -0.32 -0.03 0.00 0.26 0.00 0.00 34.13 33.99 1cnk s GLU 117 CO 0.04 -0.26 0.55 -1.17 -0.54 0.00 0.00 175.26 173.87 1cnk s LEU 118 N 1.85 4.22 -0.24 2.70 2.96 0.40 -1.51 118.68 129.05 1cnk s LEU 118 Ca -0.01 0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 54.72 1cnk s LEU 118 Cb -0.12 -2.79 0.03 0.00 0.50 0.00 0.00 46.19 43.81 1cnk s LEU 118 CO -0.05 -0.12 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.77 1cnk s HIS 119 N 1.20 3.06 -0.47 5.38 3.76 0.19 -1.33 115.29 127.09 1cnk s HIS 119 Ca 0.27 -1.71 -0.13 0.00 -0.15 0.00 0.00 55.06 53.34 1cnk s HIS 119 Cb -0.16 -2.02 0.08 0.00 1.11 0.00 0.00 32.58 31.60 1cnk s HIS 119 CO 0.11 -0.77 0.37 -0.51 -0.85 0.00 0.00 174.74 173.09 1cnk s LEU 120 N 1.28 5.57 -0.18 0.89 1.43 -0.82 -1.43 118.68 125.42 1cnk s LEU 120 Ca -0.01 -1.46 -0.21 0.00 -1.03 0.00 0.00 54.13 51.42 1cnk s LEU 120 Cb -0.17 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1cnk s LEU 120 CO -0.06 -0.65 0.61 -0.69 0.23 0.00 0.00 176.35 175.80 1cnk s VAL 121 N 1.56 5.04 0.06 -1.59 1.01 0.16 -1.65 120.40 124.99 1cnk s VAL 121 Ca 0.04 1.16 0.08 0.00 0.00 0.00 0.00 61.98 63.26 1cnk s VAL 121 Cb -0.25 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1cnk s VAL 121 CO 0.05 0.14 -0.22 -1.00 0.00 0.00 0.00 175.10 174.07 1cnk s HIS 122 N 1.72 1.91 -0.00 5.22 3.76 -0.36 -1.36 115.29 126.17 1cnk s HIS 122 Ca 0.29 -0.39 0.08 0.00 -0.15 0.00 0.00 55.06 54.89 1cnk s HIS 122 Cb -0.16 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.39 1cnk s HIS 122 CO 0.11 0.13 -0.26 1.67 -0.85 0.00 0.00 174.74 175.54 1cnk s TRP 123 N -0.87 2.31 -0.17 1.40 1.48 -0.16 -0.83 118.94 122.10 1cnk s TRP 123 Ca 0.08 -0.43 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 1cnk s TRP 123 Cb -0.09 -1.45 -0.05 0.00 -1.16 0.00 0.00 33.47 30.71 1cnk s TRP 123 CO 0.02 0.01 2.03 1.21 -4.06 0.00 0.00 176.95 176.17 1cnk s ASN 124 N -0.79 5.87 0.58 -2.66 3.84 0.41 -1.08 114.94 121.10 1cnk s ASN 124 Ca 0.10 1.99 0.27 0.00 0.21 0.00 0.00 52.86 55.44 1cnk s ASN 124 Cb -0.10 -2.52 1.65 0.00 -0.55 0.00 0.00 41.25 39.73 1cnk s ASN 124 CO -0.00 -1.62 2.15 0.71 -2.79 0.00 0.00 177.10 175.55 1cnk h THR 125 N 6.60 0.56 0.00 -5.21 1.35 -1.60 -1.95 112.91 112.66 1cnk h THR 125 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1cnk h THR 125 Cb 1.22 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1cnk h THR 125 CO 0.97 0.00 0.01 0.07 -0.25 0.00 0.00 175.52 176.32 1cnk h LYS 127 N 0.00 0.00 -0.35 4.72 2.10 -1.90 -1.01 116.57 120.13 1cnk h LYS 127 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1cnk h LYS 127 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1cnk h LYS 127 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1cnk n TYR 128 N -2.67 0.45 0.00 0.07 4.01 -0.73 -5.00 117.16 113.29 1cnk n TYR 128 Ca -0.02 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1cnk n TYR 128 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1cnk n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cnk n GLY 129 N 1.34 1.23 3.39 2.72 0.00 -0.38 -4.51 105.19 108.97 1cnk n GLY 129 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1cnk n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cnk s ASP 130 N 0.00 0.00 0.24 1.61 1.47 -1.26 -5.05 116.67 113.68 1cnk s ASP 130 Ca 0.00 -0.89 -0.06 0.00 1.18 0.00 0.00 52.55 52.78 1cnk s ASP 130 Cb 0.00 0.47 0.27 0.00 -0.34 0.00 0.00 42.92 43.32 1cnk s ASP 130 CO 0.00 -0.95 1.90 0.15 0.68 0.00 0.00 175.17 176.95 1cnk h PHE 131 N 2.47 1.13 -0.48 2.11 3.57 -1.94 -2.62 116.94 121.18 1cnk h PHE 131 Ca -0.31 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1cnk h PHE 131 Cb 1.24 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1cnk h PHE 131 CO 0.39 0.67 0.32 0.78 -2.23 0.00 0.00 178.31 178.24 1cnk h GLY 132 N 1.19 0.68 0.91 2.40 0.00 -1.97 -2.65 103.07 103.63 1cnk h GLY 132 Ca 0.36 -0.25 -0.20 0.00 0.00 0.00 0.00 47.33 47.23 1cnk h GLY 132 CO -0.10 0.25 -0.81 0.50 0.00 0.00 0.00 176.54 176.37 1cnk h LYS 133 N 0.65 0.48 -0.72 4.80 1.79 -1.78 -3.33 116.57 118.47 1cnk h LYS 133 Ca 0.18 -0.57 0.09 0.00 -2.18 0.00 0.00 60.65 58.17 1cnk h LYS 133 Cb -0.07 0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 1cnk h LYS 133 CO -0.04 1.21 0.47 0.00 -1.08 0.00 0.00 179.45 180.01 1cnk h ALA 134 N 0.29 1.83 0.00 3.86 0.00 -1.21 -1.75 119.26 122.29 1cnk h ALA 134 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1cnk h ALA 134 Cb 1.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1cnk h ALA 134 CO 0.16 0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.76 1cnk n VAL 135 N -4.49 1.11 -0.59 0.00 0.24 -1.02 -1.80 118.33 111.77 1cnk n VAL 135 Ca 0.12 0.29 0.10 0.00 -2.04 0.00 0.00 64.34 62.81 1cnk n VAL 135 Cb 0.32 -1.11 0.36 0.00 -1.47 0.00 0.00 33.84 31.94 1cnk n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cnk n GLN 136 N -1.64 3.60 -4.78 7.34 6.02 -0.66 -4.64 117.38 122.63 1cnk n GLN 136 Ca 0.03 -2.87 -0.29 0.00 -0.01 0.00 0.00 57.00 53.86 1cnk n GLN 136 Cb 0.15 -1.85 -0.14 0.00 1.02 0.00 0.00 30.24 29.42 1cnk n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1cnk s GLN 137 N -1.72 1.66 0.58 -1.09 -1.52 -0.75 -5.02 119.66 111.80 1cnk s GLN 137 Ca 0.51 -1.11 0.33 0.00 -1.95 0.00 0.00 55.36 53.14 1cnk s GLN 137 Cb 0.32 -1.86 1.80 0.00 -0.22 0.00 0.00 33.01 33.05 1cnk s GLN 137 CO 0.26 0.47 2.20 -1.00 -0.25 0.00 0.00 175.29 176.97 1cnk h PRO 138 N 4.68 0.00 0.00 2.91 0.13 -1.86 -1.69 132.00 136.18 1cnk h PRO 138 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1cnk h PRO 138 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1cnk h PRO 138 CO 0.43 0.04 -0.50 -0.40 -0.23 0.00 0.00 178.00 177.35 1cnk n ASP 139 N -3.53 1.70 -0.04 1.44 5.75 -1.26 -4.19 116.55 116.42 1cnk n ASP 139 Ca -0.02 -3.72 -0.12 0.00 -0.01 0.00 0.00 54.79 50.92 1cnk n ASP 139 Cb 0.15 -0.51 0.01 0.00 -1.03 0.00 0.00 41.12 39.75 1cnk n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cnk h GLY 140 N 0.92 0.80 -3.31 6.12 0.00 -1.23 -3.43 103.07 102.95 1cnk h GLY 140 Ca -0.01 -0.93 -0.65 0.00 0.00 0.00 0.00 47.33 45.74 1cnk h GLY 140 CO 0.01 0.83 -0.79 1.08 0.00 0.00 0.00 176.54 177.67 1cnk s LEU 141 N -8.55 2.61 -0.16 3.11 1.43 0.01 -0.45 118.68 116.68 1cnk s LEU 141 Ca -0.09 -0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 1cnk s LEU 141 Cb 0.11 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 45.04 1cnk s LEU 141 CO 0.87 0.12 0.01 0.00 0.23 0.00 0.00 176.35 177.57 1cnk s ALA 142 N -1.66 1.05 -0.17 4.21 0.00 -0.01 -1.22 121.76 123.96 1cnk s ALA 142 Ca 0.22 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 1cnk s ALA 142 Cb -0.08 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1cnk s ALA 142 CO 0.11 -0.93 -0.04 0.08 0.00 0.00 0.00 175.76 174.99 1cnk s VAL 143 N 1.83 3.76 -0.26 0.00 1.01 -0.83 -1.23 120.40 124.68 1cnk s VAL 143 Ca 0.01 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 1cnk s VAL 143 Cb -0.16 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1cnk s VAL 143 CO -0.07 0.47 0.57 -0.76 0.00 0.00 0.00 175.10 175.30 1cnk s LEU 144 N 0.68 4.06 -0.17 3.92 1.43 -0.66 -1.07 118.68 126.88 1cnk s LEU 144 Ca -0.02 0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 53.61 1cnk s LEU 144 Cb -0.14 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 1cnk s LEU 144 CO 0.02 -0.33 0.00 -0.83 0.23 0.00 0.00 176.35 175.44 1cnk s GLY 145 N 1.52 1.79 -0.10 -3.19 0.00 0.45 -1.94 107.32 105.85 1cnk s GLY 145 Ca 0.23 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1cnk s GLY 145 CO 0.09 -0.00 -0.13 -0.42 0.00 0.00 0.00 173.10 172.63 1cnk s ILE 146 N 0.40 1.33 0.26 0.90 1.01 -0.44 -1.11 121.20 123.54 1cnk s ILE 146 Ca -0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 1cnk s ILE 146 Cb -0.13 -1.23 -0.09 0.00 0.01 0.00 0.00 42.46 41.01 1cnk s ILE 146 CO 0.02 0.41 0.93 -0.36 0.00 0.00 0.00 174.94 175.93 1cnk s PHE 147 N 1.03 3.88 -0.10 3.97 0.08 -1.26 -0.45 117.98 125.12 1cnk s PHE 147 Ca -0.07 1.84 0.01 0.00 0.12 0.00 0.00 56.93 58.84 1cnk s PHE 147 Cb -0.15 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.34 1cnk s PHE 147 CO -0.01 0.38 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.85 1cnk s LEU 148 N -1.49 2.77 0.05 -0.37 1.02 -0.61 -1.41 118.68 118.64 1cnk s LEU 148 Ca 0.44 -0.26 0.08 0.00 0.02 0.00 0.00 54.13 54.41 1cnk s LEU 148 Cb -0.23 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 1cnk s LEU 148 CO 0.29 0.23 -0.21 -1.59 0.02 0.00 0.00 176.35 175.08 1cnk s LYS 149 N -0.05 1.41 -0.08 1.70 -2.85 -0.69 -1.75 119.74 117.43 1cnk s LYS 149 Ca -0.02 -0.99 -0.30 0.00 -1.00 0.00 0.00 55.97 53.66 1cnk s LYS 149 Cb -0.14 -1.55 -0.03 0.00 -2.06 0.00 0.00 37.83 34.06 1cnk s LYS 149 CO 0.04 0.39 1.19 0.08 0.10 0.00 0.00 175.35 177.15 1cnk s VAL 150 N -0.84 4.31 0.00 1.79 1.01 -1.26 -1.77 120.40 123.64 1cnk s VAL 150 Ca 0.08 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.68 1cnk s VAL 150 Cb -0.09 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1cnk s VAL 150 CO 0.02 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1cnk n GLY 151 N 3.39 1.32 3.90 4.51 0.00 -0.09 -4.90 105.19 113.33 1cnk n GLY 151 Ca 0.11 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 1cnk n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cnk s SER 152 N 2.00 6.21 0.36 1.61 1.04 -1.26 -4.16 113.70 119.50 1cnk s SER 152 Ca 0.00 1.01 -0.27 0.00 0.48 0.00 0.00 55.95 57.17 1cnk s SER 152 Cb 0.00 -2.25 -0.09 0.00 0.10 0.00 0.00 66.02 63.77 1cnk s SER 152 CO 0.00 -0.67 1.25 0.00 0.98 0.00 0.00 173.24 174.80 1cnk s ALA 153 N -2.85 3.35 -0.43 5.32 0.00 -1.26 -2.13 121.76 123.76 1cnk s ALA 153 Ca 0.49 1.14 -0.18 0.00 0.00 0.00 0.00 51.96 53.41 1cnk s ALA 153 Cb -0.10 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1cnk s ALA 153 CO 0.47 -0.59 0.50 0.21 0.00 0.00 0.00 175.76 176.35 1cnk s LYS 154 N -1.96 3.14 0.16 0.00 2.47 -1.24 -4.81 119.74 117.50 1cnk s LYS 154 Ca 0.52 -0.67 -0.19 0.00 -1.56 0.00 0.00 55.97 54.07 1cnk s LYS 154 Cb -0.36 -3.97 0.07 0.00 -1.46 0.00 0.00 37.83 32.10 1cnk s LYS 154 CO 0.47 -0.92 1.65 -1.35 0.16 0.00 0.00 175.35 175.37 1cnk h PRO 155 N 8.79 -0.09 0.00 4.03 0.11 -1.92 -2.00 132.00 140.93 1cnk h PRO 155 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1cnk h PRO 155 Cb 1.11 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1cnk h PRO 155 CO 0.83 -0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 1cnk n GLY 156 N -1.33 -0.56 0.03 -0.55 0.00 -1.26 -2.08 105.19 99.44 1cnk n GLY 156 Ca 0.01 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1cnk n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cnk n LEU 157 N -1.43 0.43 -0.04 0.99 7.94 -0.75 -4.47 117.00 119.67 1cnk n LEU 157 Ca 0.01 -0.04 0.02 0.00 -1.11 0.00 0.00 56.01 54.89 1cnk n LEU 157 Cb 0.04 -0.03 0.36 0.00 0.53 0.00 0.00 43.42 44.31 1cnk n LEU 157 CO 0.03 0.03 1.12 -0.61 -1.11 0.00 0.00 177.39 176.85 1cnk h GLN 158 N 0.00 0.63 -0.88 1.96 5.75 -1.43 -1.73 115.11 119.40 1cnk h GLN 158 Ca 0.00 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1cnk h GLN 158 Cb 0.85 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.22 1cnk h GLN 158 CO 0.00 0.47 0.58 -0.22 -2.65 0.00 0.00 178.83 177.01 1cnk h LYS 159 N 0.64 1.12 -0.24 1.69 3.64 -1.78 -0.26 116.57 121.37 1cnk h LYS 159 Ca 0.16 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1cnk h LYS 159 Cb 0.03 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1cnk h LYS 159 CO -0.03 0.74 -0.03 0.28 -2.27 0.00 0.00 179.45 178.14 1cnk h VAL 160 N 1.15 1.27 -0.53 2.00 2.07 -1.61 -3.11 116.25 117.49 1cnk h VAL 160 Ca 0.34 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1cnk h VAL 160 Cb -0.06 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1cnk h VAL 160 CO -0.09 0.30 0.35 0.58 0.02 0.00 0.00 177.57 178.73 1cnk h VAL 161 N 0.20 1.13 0.00 2.57 2.07 -0.91 -2.76 116.25 118.54 1cnk h VAL 161 Ca 0.06 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1cnk h VAL 161 Cb 0.46 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1cnk h VAL 161 CO 0.02 0.13 -0.50 0.44 0.02 0.00 0.00 177.57 177.68 1cnk h ASP 162 N 0.71 0.00 0.89 0.57 3.32 -0.99 -3.19 116.42 117.72 1cnk h ASP 162 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1cnk h ASP 162 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1cnk h ASP 162 CO -0.04 0.50 -0.34 0.55 -1.72 0.00 0.00 179.24 178.19 1cnk n VAL 163 N -3.85 0.21 -0.07 -1.35 3.14 -1.05 -4.34 118.33 111.02 1cnk n VAL 163 Ca -0.01 -0.13 0.19 0.00 -2.96 0.00 0.00 64.34 61.42 1cnk n VAL 163 Cb 0.53 -0.18 0.62 0.00 -1.06 0.00 0.00 33.84 33.75 1cnk n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1cnk h LEU 164 N 0.00 0.16 -1.55 6.55 3.38 -1.55 -1.81 115.31 120.49 1cnk h LEU 164 Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1cnk h LEU 164 Cb 0.61 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1cnk h LEU 164 CO 0.00 0.08 0.33 0.44 0.09 0.00 0.00 178.44 179.38 1cnk h ASP 165 N 0.17 0.51 1.15 -0.43 3.32 -1.83 -2.30 116.42 117.01 1cnk h ASP 165 Ca 0.30 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1cnk h ASP 165 Cb 0.97 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1cnk h ASP 165 CO -0.05 0.36 0.00 0.28 -1.72 0.00 0.00 179.24 178.11 1cnk h SER 166 N 0.59 0.00 -0.48 6.45 0.02 -1.64 -3.23 113.55 115.26 1cnk h SER 166 Ca 0.20 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.80 1cnk h SER 166 Cb 0.06 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.25 1cnk h SER 166 CO -0.05 0.00 -0.87 2.30 -1.14 0.00 0.00 176.83 177.07 1cnk n ILE 167 N -3.07 1.92 -0.25 3.27 -5.35 -0.89 -4.65 119.36 110.34 1cnk n ILE 167 Ca 0.01 -3.44 0.06 0.00 -0.27 0.00 0.00 62.75 59.11 1cnk n ILE 167 Cb 0.33 -0.15 0.30 0.00 -1.74 0.00 0.00 39.64 38.39 1cnk n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1cnk h LYS 168 N 2.01 0.86 -6.20 6.28 3.64 -1.52 -3.42 116.57 118.23 1cnk h LYS 168 Ca 0.12 -0.05 -0.55 0.00 -1.27 0.00 0.00 60.65 58.90 1cnk h LYS 168 Cb 1.41 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1cnk h LYS 168 CO 0.43 0.57 -0.62 0.95 -2.27 0.00 0.00 179.45 178.51 1cnk s THR 169 N -5.79 3.68 0.25 1.00 -4.23 -1.26 -0.80 115.64 108.49 1cnk s THR 169 Ca -0.11 -1.79 -0.31 0.00 -1.18 0.00 0.00 61.69 58.31 1cnk s THR 169 Cb 0.20 -2.97 -0.13 0.00 1.34 0.00 0.00 72.50 70.94 1cnk s THR 169 CO 0.79 -0.36 1.52 1.17 -0.54 0.00 0.00 174.62 177.19 1cnk n LYS 170 N -0.94 2.37 0.00 3.99 4.81 -0.20 -2.11 118.16 126.07 1cnk n LYS 170 Ca -0.07 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1cnk n LYS 170 Cb 0.59 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.06 1cnk n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cnk n GLY 171 N 2.38 3.33 3.77 3.14 0.00 0.52 -4.45 105.19 113.88 1cnk n GLY 171 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1cnk n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cnk s LYS 172 N -0.67 4.32 0.07 1.61 -0.14 -0.90 -4.87 119.74 119.17 1cnk s LYS 172 Ca 0.00 1.78 -0.02 0.00 -1.36 0.00 0.00 55.97 56.37 1cnk s LYS 172 Cb 0.00 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 1cnk s LYS 172 CO 0.00 -0.07 0.01 -1.54 -0.76 0.00 0.00 175.35 172.99 1cnk s SER 173 N -1.09 0.42 -0.03 2.83 1.04 -1.26 -1.28 113.70 114.33 1cnk s SER 173 Ca 0.52 -0.99 -0.16 0.00 0.48 0.00 0.00 55.95 55.80 1cnk s SER 173 Cb -0.30 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1cnk s SER 173 CO 0.38 -0.64 0.36 0.00 0.98 0.00 0.00 173.24 174.32 1cnk s ALA 174 N -3.93 -0.91 0.31 5.32 0.00 -0.26 -4.89 121.76 117.40 1cnk s ALA 174 Ca 0.09 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 1cnk s ALA 174 Cb 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.07 1cnk s ALA 174 CO -0.08 -0.26 1.49 -0.51 0.00 0.00 0.00 175.76 176.40 1cnk s ASP 175 N -1.13 6.48 -0.40 0.00 1.01 -1.26 -0.99 116.67 120.38 1cnk s ASP 175 Ca -0.12 2.88 0.08 0.00 0.71 0.00 0.00 52.55 56.11 1cnk s ASP 175 Cb -0.04 -2.64 0.27 0.00 1.01 0.00 0.00 42.92 41.51 1cnk s ASP 175 CO 0.04 -0.81 0.63 0.33 0.21 0.00 0.00 175.17 175.58 1cnk n PHE 176 N 1.53 -0.77 -2.88 4.23 7.35 0.59 -4.73 117.46 122.78 1cnk n PHE 176 Ca 0.05 -3.31 -0.27 0.00 -0.76 0.00 0.00 57.45 53.16 1cnk n PHE 176 Cb 0.39 -0.02 -0.01 0.00 0.35 0.00 0.00 39.48 40.19 1cnk n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cnk s THR 177 N -1.10 4.94 -1.71 -2.13 -4.23 -1.25 -3.42 115.64 106.74 1cnk s THR 177 Ca 0.35 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1cnk s THR 177 Cb 0.22 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1cnk s THR 177 CO -0.12 -0.69 0.00 0.59 -0.54 0.00 0.00 174.62 173.85 1cnk n ASN 178 N -1.90 -5.71 -4.73 3.99 3.02 -1.26 -4.97 115.26 103.70 1cnk n ASN 178 Ca -0.00 -0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.15 1cnk n ASN 178 Cb 0.55 -4.74 -0.06 0.00 -0.61 0.00 0.00 39.78 34.92 1cnk n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1cnk s PHE 179 N -3.00 3.54 -0.43 3.10 5.36 -1.26 -5.03 117.98 120.26 1cnk s PHE 179 Ca 0.00 0.91 -0.14 0.00 -0.96 0.00 0.00 56.93 56.74 1cnk s PHE 179 Cb 0.00 -2.53 0.05 0.00 -0.34 0.00 0.00 43.02 40.19 1cnk s PHE 179 CO 0.00 0.21 0.32 0.34 -1.46 0.00 0.00 175.22 174.63 1cnk s ASP 180 N 0.45 6.03 0.00 6.13 -1.08 -1.26 -4.43 116.67 122.50 1cnk s ASP 180 Ca 0.26 -1.13 0.08 0.00 -0.52 0.00 0.00 52.55 51.24 1cnk s ASP 180 Cb -0.15 -2.13 0.33 0.00 -1.46 0.00 0.00 42.92 39.51 1cnk s ASP 180 CO 0.11 -0.52 1.21 -0.81 0.52 0.00 0.00 175.17 175.68 1cnk n PRO 181 N 5.13 0.02 0.27 4.34 -0.04 -1.26 -2.37 135.00 141.09 1cnk n PRO 181 Ca -0.12 0.34 0.16 0.00 -0.04 0.00 0.00 63.50 63.84 1cnk n PRO 181 Cb 0.45 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.14 1cnk n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cnk h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -2.41 114.38 113.66 1cnk h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cnk h ARG 182 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1cnk h ARG 182 CO 0.00 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 1cnk n GLY 183 N -0.26 -0.95 0.69 0.04 0.00 -1.00 -2.79 105.19 100.93 1cnk n GLY 183 Ca -0.01 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.00 1cnk n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cnk n LEU 184 N -1.24 2.40 -4.79 0.99 4.77 -0.91 -4.37 117.00 113.86 1cnk n LEU 184 Ca 0.11 -0.93 -0.38 0.00 -0.03 0.00 0.00 56.01 54.78 1cnk n LEU 184 Cb 0.16 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1cnk n LEU 184 CO 0.16 0.42 0.44 -0.76 -1.33 0.00 0.00 177.39 176.32 1cnk s LEU 185 N -1.82 4.49 1.13 2.23 1.43 -1.12 -4.94 118.68 120.08 1cnk s LEU 185 Ca 0.21 1.53 -0.18 0.00 -1.03 0.00 0.00 54.13 54.66 1cnk s LEU 185 Cb 0.16 -3.38 0.25 0.00 0.03 0.00 0.00 46.19 43.25 1cnk s LEU 185 CO 0.31 0.14 1.14 -2.16 0.23 0.00 0.00 176.35 176.02 1cnk s PRO 186 N -1.48 -0.61 -0.04 1.29 0.04 -1.26 -4.98 135.00 127.96 1cnk s PRO 186 Ca 0.38 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.12 1cnk s PRO 186 Cb -0.20 -1.67 -0.21 0.00 0.04 0.00 0.00 34.50 32.46 1cnk s PRO 186 CO 0.23 -3.31 1.17 1.49 0.04 0.00 0.00 177.00 176.62 1cnk h GLU 187 N -2.29 -0.02 -6.52 4.56 4.81 -1.92 -3.45 114.58 109.76 1cnk h GLU 187 Ca -0.46 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.24 1cnk h GLU 187 Cb 1.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1cnk h GLU 187 CO 0.39 0.55 -0.08 0.45 -0.73 0.00 0.00 179.01 179.59 1cnk s SER 188 N -5.75 6.59 -0.16 1.04 0.15 -1.26 -5.01 113.70 109.29 1cnk s SER 188 Ca -0.16 0.94 0.16 0.00 0.70 0.00 0.00 55.95 57.59 1cnk s SER 188 Cb 0.01 -2.23 0.48 0.00 -1.71 0.00 0.00 66.02 62.57 1cnk s SER 188 CO 0.67 -0.14 1.38 0.18 1.20 0.00 0.00 173.24 176.52 1cnk n LEU 189 N -0.44 3.64 -4.75 3.45 4.77 -1.26 -4.75 117.00 117.66 1cnk n LEU 189 Ca 0.01 -2.96 -0.38 0.00 -0.03 0.00 0.00 56.01 52.65 1cnk n LEU 189 Cb 0.53 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1cnk n LEU 189 CO 0.46 0.68 0.95 -1.81 -1.33 0.00 0.00 177.39 176.34 1cnk s ASP 190 N -1.98 5.32 0.25 -1.43 1.01 -1.26 -4.78 116.67 113.80 1cnk s ASP 190 Ca 0.40 2.69 -0.15 0.00 0.71 0.00 0.00 52.55 56.20 1cnk s ASP 190 Cb 0.32 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1cnk s ASP 190 CO 0.08 -1.53 0.53 -0.72 0.21 0.00 0.00 175.17 173.74 1cnk s TYR 191 N -1.35 0.24 0.12 4.23 -0.85 -1.26 -0.75 117.35 117.73 1cnk s TYR 191 Ca 0.72 -0.63 0.10 0.00 -0.52 0.00 0.00 57.07 56.74 1cnk s TYR 191 Cb -0.38 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 1cnk s TYR 191 CO 0.45 -1.05 -0.21 -1.58 -1.52 0.00 0.00 175.55 171.64 1cnk s TRP 192 N -3.99 2.45 -0.00 -3.49 0.51 -0.16 -1.11 118.94 113.15 1cnk s TRP 192 Ca 0.20 -0.31 -0.02 0.00 -2.12 0.00 0.00 56.10 53.85 1cnk s TRP 192 Cb -0.02 -1.32 -0.00 0.00 -0.81 0.00 0.00 33.47 31.32 1cnk s TRP 192 CO 0.09 0.36 0.04 -0.08 -0.51 0.00 0.00 176.95 176.84 1cnk s THR 193 N -1.10 0.05 0.06 2.01 -1.32 0.26 -1.17 115.64 114.44 1cnk s THR 193 Ca 0.16 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 59.96 1cnk s THR 193 Cb -0.10 -0.20 0.08 0.00 -1.51 0.00 0.00 72.50 70.77 1cnk s THR 193 CO 0.08 -0.23 0.72 -0.72 -2.21 0.00 0.00 174.62 172.26 1cnk s TYR 194 N -0.70 -0.49 -0.03 9.09 1.13 -1.06 -1.24 117.35 124.05 1cnk s TYR 194 Ca -0.08 0.42 -0.29 0.00 -1.41 0.00 0.00 57.07 55.72 1cnk s TYR 194 Cb -0.05 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1cnk s TYR 194 CO -0.00 -0.70 0.93 -1.25 -2.51 0.00 0.00 175.55 172.02 1cnk s PRO 195 N -3.06 4.51 0.00 -3.49 0.04 -1.26 -1.25 135.00 130.49 1cnk s PRO 195 Ca 0.00 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1cnk s PRO 195 Cb -0.01 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1cnk s PRO 195 CO -0.08 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1cnk n GLY 196 N 2.98 4.49 3.42 0.56 0.00 0.60 -4.84 105.19 112.41 1cnk n GLY 196 Ca 0.05 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 1cnk n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cnk s SER 197 N 1.46 2.39 0.56 1.61 1.04 -0.95 -2.12 113.70 117.69 1cnk s SER 197 Ca 0.00 -1.75 -0.17 0.00 0.48 0.00 0.00 55.95 54.51 1cnk s SER 197 Cb 0.00 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1cnk s SER 197 CO 0.00 -1.02 1.05 -0.76 0.98 0.00 0.00 173.24 173.49 1cnk s LEU 198 N -3.52 3.60 0.00 2.42 1.43 -0.64 -4.54 118.68 117.43 1cnk s LEU 198 Ca 0.30 1.85 0.24 0.00 -1.03 0.00 0.00 54.13 55.50 1cnk s LEU 198 Cb 0.02 -4.54 0.33 0.00 0.03 0.00 0.00 46.19 42.03 1cnk s LEU 198 CO 0.21 -1.06 1.34 0.35 0.23 0.00 0.00 176.35 177.42 1cnk n THR 199 N -1.72 0.14 -4.34 5.49 -2.24 -1.26 -4.51 114.28 105.83 1cnk n THR 199 Ca 0.09 -0.54 -0.20 0.00 -2.27 0.00 0.00 64.05 61.13 1cnk n THR 199 Cb 0.53 1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 69.91 1cnk n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cnk s THR 200 N -1.86 1.78 0.64 4.28 -4.23 -1.26 -4.73 115.64 110.26 1cnk s THR 200 Ca 0.32 -2.12 -0.17 0.00 -1.18 0.00 0.00 61.69 58.53 1cnk s THR 200 Cb 0.21 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1cnk s THR 200 CO 0.31 -0.51 0.87 -2.65 -0.54 0.00 0.00 174.62 172.09 1cnk n PRO 201 N -0.18 0.69 0.00 3.99 -0.02 -1.26 -0.61 135.00 137.61 1cnk n PRO 201 Ca -0.09 0.28 0.04 0.00 -2.02 0.00 0.00 63.50 61.71 1cnk n PRO 201 Cb 0.59 -2.09 0.26 0.00 -0.02 0.00 0.00 33.50 32.24 1cnk n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cnk n PRO 202 N -1.09 0.64 -2.52 0.52 -0.04 -1.26 -5.00 135.00 126.25 1cnk n PRO 202 Ca 0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.41 1cnk n PRO 202 Cb 0.48 -1.22 -0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1cnk n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cnk n LEU 203 N -0.72 -1.68 -4.73 1.53 4.77 0.22 -4.92 117.00 111.48 1cnk n LEU 203 Ca 0.07 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1cnk n LEU 203 Cb 0.03 -2.60 -0.01 0.00 -2.33 0.00 0.00 43.42 38.51 1cnk n LEU 203 CO 0.05 -0.12 1.14 0.18 -1.33 0.00 0.00 177.39 177.30 1cnk n LEU 204 N -3.07 4.04 -3.79 2.23 4.77 -1.26 -4.35 117.00 115.57 1cnk n LEU 204 Ca -0.18 1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 56.54 1cnk n LEU 204 Cb 0.64 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1cnk n LEU 204 CO 0.27 -0.07 2.00 -0.62 -1.33 0.00 0.00 177.39 177.65 1cnk n GLU 205 N 1.68 3.85 -0.10 3.23 1.02 -1.26 -1.62 120.64 127.44 1cnk n GLU 205 Ca 0.08 -3.56 0.07 0.00 -0.02 0.00 0.00 57.16 53.72 1cnk n GLU 205 Cb 0.36 -2.85 0.09 0.00 -0.02 0.00 0.00 31.44 29.02 1cnk n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cnk s VAL 207 N -2.13 2.67 -0.36 0.00 1.01 -0.90 -0.81 120.40 119.88 1cnk s VAL 207 Ca 0.22 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1cnk s VAL 207 Cb 0.19 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1cnk s VAL 207 CO 0.02 0.58 0.20 -0.89 0.00 0.00 0.00 175.10 175.01 1cnk s THR 208 N -0.59 4.62 0.03 3.92 2.01 -0.35 -0.29 115.64 124.99 1cnk s THR 208 Ca 0.09 -0.73 -0.24 0.00 0.31 0.00 0.00 61.69 61.12 1cnk s THR 208 Cb -0.11 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1cnk s THR 208 CO 0.01 -0.16 0.71 0.26 -0.69 0.00 0.00 174.62 174.75 1cnk s TRP 209 N 1.58 3.72 -0.33 4.92 0.52 -0.38 -1.97 118.94 127.00 1cnk s TRP 209 Ca 0.03 1.39 0.01 0.00 0.02 0.00 0.00 56.10 57.54 1cnk s TRP 209 Cb -0.19 -2.75 0.10 0.00 -1.15 0.00 0.00 33.47 29.49 1cnk s TRP 209 CO 0.07 0.30 0.10 0.42 0.02 0.00 0.00 176.95 177.86 1cnk s ILE 210 N -0.12 1.30 -0.27 2.03 1.01 -0.23 -2.57 121.20 122.34 1cnk s ILE 210 Ca 0.36 -1.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.13 1cnk s ILE 210 Cb -0.20 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1cnk s ILE 210 CO 0.21 -0.68 0.27 -0.69 0.00 0.00 0.00 174.94 174.06 1cnk s VAL 211 N 1.32 5.25 0.26 2.92 1.01 -0.32 -0.41 120.40 130.42 1cnk s VAL 211 Ca 0.11 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1cnk s VAL 211 Cb -0.18 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 1cnk s VAL 211 CO -0.19 0.21 1.15 -0.76 0.00 0.00 0.00 175.10 175.51 1cnk s LEU 212 N 1.88 4.51 0.12 3.92 1.43 -0.27 -0.99 118.68 129.28 1cnk s LEU 212 Ca 0.10 2.30 -0.15 0.00 -1.03 0.00 0.00 54.13 55.35 1cnk s LEU 212 Cb -0.16 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 1cnk s LEU 212 CO 0.10 -0.25 1.59 0.50 0.23 0.00 0.00 176.35 178.53 1cnk h LYS 213 N 4.17 0.65 -5.72 1.70 3.64 -1.28 -3.43 116.57 116.29 1cnk h LYS 213 Ca -0.46 -0.18 -0.60 0.00 -1.27 0.00 0.00 60.65 58.14 1cnk h LYS 213 Cb 1.21 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 1cnk h LYS 213 CO 0.69 0.72 0.32 -2.00 -2.27 0.00 0.00 179.45 176.90 1cnk s GLU 214 N -5.14 4.19 0.64 1.90 2.12 -1.26 -5.02 118.70 116.13 1cnk s GLU 214 Ca -0.13 0.80 -0.11 0.00 0.36 0.00 0.00 54.97 55.89 1cnk s GLU 214 Cb 0.10 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1cnk s GLU 214 CO 0.78 -0.41 1.04 -2.14 -0.54 0.00 0.00 175.26 173.99 1cnk s PRO 215 N 2.46 3.43 0.16 4.30 0.02 -1.26 -4.71 135.00 139.41 1cnk s PRO 215 Ca 0.32 0.73 0.04 0.00 0.02 0.00 0.00 61.00 62.11 1cnk s PRO 215 Cb -0.16 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 1cnk s PRO 215 CO 0.09 -0.68 0.18 0.96 -0.33 0.00 0.00 177.00 177.21 1cnk s ILE 216 N -3.19 4.70 -0.04 2.83 -4.36 -0.50 -4.91 121.20 115.73 1cnk s ILE 216 Ca 0.56 -0.99 -0.02 0.00 -0.26 0.00 0.00 60.65 59.93 1cnk s ILE 216 Cb -0.11 -3.41 -0.04 0.00 1.25 0.00 0.00 42.46 40.15 1cnk s ILE 216 CO 0.54 -0.11 0.10 -0.44 0.24 0.00 0.00 174.94 175.27 1cnk s SER 217 N -3.16 5.89 0.14 4.36 0.01 -1.26 -1.71 113.70 117.97 1cnk s SER 217 Ca 0.32 0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.86 1cnk s SER 217 Cb -0.10 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1cnk s SER 217 CO 0.25 0.31 -0.07 0.68 0.41 0.00 0.00 173.24 174.82 1cnk s VAL 218 N -1.14 0.95 0.60 3.43 -7.23 -0.73 -3.62 120.40 112.66 1cnk s VAL 218 Ca 0.21 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.28 1cnk s VAL 218 Cb -0.12 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 1cnk s VAL 218 CO 0.11 -0.72 0.95 -0.94 -0.31 0.00 0.00 175.10 174.18 1cnk s SER 219 N -3.14 5.83 0.22 4.85 1.04 -1.12 -0.91 113.70 120.47 1cnk s SER 219 Ca 0.17 0.99 -0.09 0.00 0.48 0.00 0.00 55.95 57.51 1cnk s SER 219 Cb 0.04 -2.02 0.19 0.00 0.10 0.00 0.00 66.02 64.33 1cnk s SER 219 CO -0.00 -0.98 1.89 -1.28 0.98 0.00 0.00 173.24 173.84 1cnk h SER 220 N -0.23 0.98 -0.28 7.02 0.87 -1.92 -2.00 113.55 117.99 1cnk h SER 220 Ca -0.45 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 59.99 1cnk h SER 220 Cb 1.23 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1cnk h SER 220 CO 0.62 0.72 -0.08 -0.33 -0.53 0.00 0.00 176.83 177.23 1cnk h GLU 221 N 1.15 0.67 0.28 2.24 3.07 -1.96 0.29 114.58 120.31 1cnk h GLU 221 Ca 0.31 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 1cnk h GLU 221 Cb -0.11 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1cnk h GLU 221 CO -0.06 0.74 -0.13 1.96 -1.40 0.00 0.00 179.01 180.11 1cnk h GLN 222 N 0.62 -0.36 -0.72 2.33 4.20 -1.83 -2.78 115.11 116.58 1cnk h GLN 222 Ca 0.11 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1cnk h GLN 222 Cb 0.50 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1cnk h GLN 222 CO 0.03 -0.10 0.47 0.28 -0.67 0.00 0.00 178.83 178.84 1cnk h VAL 223 N -0.58 1.17 -0.89 -0.54 2.07 -1.23 -1.27 116.25 114.98 1cnk h VAL 223 Ca -0.04 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.30 1cnk h VAL 223 Cb 0.42 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1cnk h VAL 223 CO 0.06 0.17 0.49 -0.07 0.02 0.00 0.00 177.57 178.25 1cnk h LEU 224 N 0.95 0.63 -0.93 2.57 3.38 -0.84 -1.80 115.31 119.28 1cnk h LEU 224 Ca 0.27 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.37 1cnk h LEU 224 Cb -0.08 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1cnk h LEU 224 CO -0.06 0.27 0.60 0.11 0.09 0.00 0.00 178.44 179.45 1cnk h LYS 225 N 0.70 1.10 -0.61 1.13 1.79 -0.94 -2.46 116.57 117.27 1cnk h LYS 225 Ca 0.48 -0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.94 1cnk h LYS 225 Cb 0.65 -0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 1cnk h LYS 225 CO -0.34 0.73 0.33 0.74 -1.08 0.00 0.00 179.45 179.83 1cnk h PHE 226 N 1.13 0.61 0.00 -1.35 -1.00 -1.32 -2.33 116.94 112.69 1cnk h PHE 226 Ca 0.38 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.18 1cnk h PHE 226 Cb 0.06 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.44 1cnk h PHE 226 CO -0.01 0.30 0.00 0.54 -1.61 0.00 0.00 178.31 177.53 1cnk n ARG 227 N -4.81 0.08 0.00 1.51 1.74 -0.93 -2.20 116.66 112.05 1cnk n ARG 227 Ca 0.07 0.44 0.14 0.00 -0.77 0.00 0.00 57.85 57.72 1cnk n ARG 227 Cb 0.15 -1.69 0.50 0.00 -1.02 0.00 0.00 32.46 30.40 1cnk n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cnk n LYS 228 N -1.85 1.44 -1.73 5.56 5.02 -0.87 -4.44 118.16 121.28 1cnk n LYS 228 Ca 0.01 -0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 55.18 1cnk n LYS 228 Cb 0.12 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1cnk n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cnk s LEU 229 N -2.12 2.88 -0.03 -0.35 1.43 -0.93 -4.90 118.68 114.66 1cnk s LEU 229 Ca 0.35 1.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.81 1cnk s LEU 229 Cb 0.21 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 1cnk s LEU 229 CO 0.38 -1.49 -0.20 0.20 0.23 0.00 0.00 176.35 175.47 1cnk s ASN 230 N -4.10 3.59 0.13 2.29 0.01 0.02 0.29 114.94 117.17 1cnk s ASN 230 Ca 0.59 -0.33 -0.09 0.00 -0.71 0.00 0.00 52.86 52.32 1cnk s ASN 230 Cb -0.13 -0.61 -0.09 0.00 0.41 0.00 0.00 41.25 40.83 1cnk s ASN 230 CO 0.53 0.33 1.34 -0.26 -1.51 0.00 0.00 177.10 177.53 1cnk h PHE 231 N 5.34 0.88 -4.23 2.20 0.04 -1.27 -3.36 116.94 116.54 1cnk h PHE 231 Ca -0.45 -0.40 -0.50 0.00 2.80 0.00 0.00 57.97 59.42 1cnk h PHE 231 Cb 1.14 -0.13 0.12 0.00 2.20 0.00 0.00 35.95 39.28 1cnk h PHE 231 CO 0.46 1.21 0.31 0.54 -0.60 0.00 0.00 178.31 180.23 1cnk s ASN 232 N -7.08 4.31 0.46 2.17 4.22 -1.26 -4.36 114.94 113.40 1cnk s ASN 232 Ca -0.08 1.53 -0.01 0.00 -2.14 0.00 0.00 52.86 52.15 1cnk s ASN 232 Cb 0.09 -2.26 -0.01 0.00 1.28 0.00 0.00 41.25 40.35 1cnk s ASN 232 CO 0.88 -2.12 0.71 -0.83 -2.04 0.00 0.00 177.10 173.70 1cnk s GLY 233 N -3.61 1.54 0.33 0.45 0.00 -1.26 -1.03 107.32 103.73 1cnk s GLY 233 Ca 0.61 -0.92 -0.29 0.00 0.00 0.00 0.00 44.72 44.12 1cnk s GLY 233 CO 0.56 -0.74 1.56 1.85 0.00 0.00 0.00 173.10 176.32 1cnk s GLU 234 N -4.62 4.10 0.00 2.90 2.12 -1.26 -1.84 118.70 120.10 1cnk s GLU 234 Ca 0.48 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.41 1cnk s GLU 234 Cb -0.10 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1cnk s GLU 234 CO 0.40 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 1cnk n GLY 235 N 1.38 1.01 3.81 -1.50 0.00 -1.26 -5.04 105.19 103.58 1cnk n GLY 235 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1cnk n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cnk s GLU 236 N -0.61 2.68 0.26 1.61 2.02 -0.77 -5.07 118.70 118.82 1cnk s GLU 236 Ca 0.00 -1.29 -0.31 0.00 0.02 0.00 0.00 54.97 53.39 1cnk s GLU 236 Cb 0.00 -2.42 -0.12 0.00 0.10 0.00 0.00 34.13 31.68 1cnk s GLU 236 CO 0.00 0.19 1.56 -2.30 0.02 0.00 0.00 175.26 174.73 1cnk n PRO 237 N -1.26 2.49 -2.11 0.39 -0.02 -1.26 -4.87 135.00 128.35 1cnk n PRO 237 Ca -0.04 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1cnk n PRO 237 Cb 0.59 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1cnk n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1cnk s GLU 238 N -0.17 4.21 -0.19 -0.52 2.12 -1.26 -4.74 118.70 118.15 1cnk s GLU 238 Ca 0.68 2.07 0.01 0.00 0.36 0.00 0.00 54.97 58.08 1cnk s GLU 238 Cb -0.55 -3.83 0.04 0.00 0.26 0.00 0.00 34.13 30.05 1cnk s GLU 238 CO 0.46 -0.76 -0.11 -1.21 -0.54 0.00 0.00 175.26 173.10 1cnk s GLU 239 N 3.49 2.08 0.32 4.30 2.02 -1.26 -5.06 118.70 124.59 1cnk s GLU 239 Ca 0.68 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 1cnk s GLU 239 Cb -0.32 -2.35 -0.10 0.00 0.10 0.00 0.00 34.13 31.46 1cnk s GLU 239 CO 0.27 -0.39 1.28 -0.51 0.02 0.00 0.00 175.26 175.93 1cnk s LEU 240 N 1.42 4.44 -0.92 1.80 1.02 -1.26 -0.91 118.68 124.27 1cnk s LEU 240 Ca 0.00 2.63 -0.23 0.00 0.02 0.00 0.00 54.13 56.55 1cnk s LEU 240 Cb -0.15 -3.65 0.06 0.00 0.02 0.00 0.00 46.19 42.47 1cnk s LEU 240 CO -0.09 -0.48 1.32 -0.32 0.02 0.00 0.00 176.35 176.80 1cnk s MET 241 N -1.71 3.48 0.04 1.70 1.75 0.15 -4.59 119.30 120.12 1cnk s MET 241 Ca 0.48 -1.06 -0.01 0.00 -1.25 0.00 0.00 55.69 53.86 1cnk s MET 241 Cb -0.39 -4.97 -0.03 0.00 2.84 0.00 0.00 34.83 32.28 1cnk s MET 241 CO 0.51 -2.08 -0.03 0.14 -0.65 0.00 0.00 175.02 172.91 1cnk s VAL 242 N 4.61 0.21 -1.44 10.11 -7.23 -1.26 -4.48 120.40 120.91 1cnk s VAL 242 Ca 0.39 -1.58 -0.06 0.00 -1.81 0.00 0.00 61.98 58.92 1cnk s VAL 242 Cb -0.04 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.75 1cnk s VAL 242 CO -0.04 -0.87 0.75 0.47 -0.31 0.00 0.00 175.10 175.11 1cnk n ASP 243 N 0.49 -2.46 -2.77 4.85 8.00 -0.30 -4.87 116.55 119.49 1cnk n ASP 243 Ca -0.17 -0.86 -0.32 0.00 0.71 0.00 0.00 54.79 54.16 1cnk n ASP 243 Cb 0.59 -3.70 -0.03 0.00 -0.02 0.00 0.00 41.12 37.97 1cnk n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cnk n ASN 244 N -2.93 6.94 -4.25 -2.24 6.94 -1.13 -4.90 115.26 113.68 1cnk n ASN 244 Ca -0.15 -3.35 -0.22 0.00 -0.02 0.00 0.00 54.58 50.84 1cnk n ASN 244 Cb 0.61 -1.21 -0.12 0.00 -2.36 0.00 0.00 39.78 36.69 1cnk n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1cnk s TRP 245 N -2.24 1.61 -0.08 -2.53 1.48 -1.26 -4.60 118.94 111.32 1cnk s TRP 245 Ca 0.56 -0.44 -0.05 0.00 -1.06 0.00 0.00 56.10 55.11 1cnk s TRP 245 Cb 0.36 -0.88 -0.04 0.00 -1.16 0.00 0.00 33.47 31.74 1cnk s TRP 245 CO -0.24 0.16 0.14 0.50 -4.06 0.00 0.00 176.95 173.46 1cnk s ARG 246 N -1.91 3.41 0.70 3.25 3.52 -1.26 -4.99 118.95 121.67 1cnk s ARG 246 Ca 0.04 -0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 55.32 1cnk s ARG 246 Cb -0.10 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 1cnk s ARG 246 CO 0.04 0.74 1.06 -1.25 -0.81 0.00 0.00 175.30 175.08 1cnk s PRO 247 N -1.32 2.86 0.33 5.12 0.04 -1.26 -4.65 135.00 136.12 1cnk s PRO 247 Ca 0.19 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 1cnk s PRO 247 Cb -0.12 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 1cnk s PRO 247 CO 0.09 -1.15 1.31 0.00 0.04 0.00 0.00 177.00 177.29 1cnk n ALA 248 N -3.17 1.34 -2.75 8.56 0.00 -1.26 -4.38 120.51 118.86 1cnk n ALA 248 Ca 0.08 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 1cnk n ALA 248 Cb 0.54 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 1cnk n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1cnk s GLN 249 N -1.73 2.69 0.46 0.00 -1.52 0.10 -4.94 119.66 114.72 1cnk s GLN 249 Ca 0.57 -1.05 -0.24 0.00 -1.95 0.00 0.00 55.36 52.68 1cnk s GLN 249 Cb -0.57 -2.48 -0.07 0.00 -0.22 0.00 0.00 33.01 29.67 1cnk s GLN 249 CO 0.61 0.44 1.32 -1.25 -0.25 0.00 0.00 175.29 176.15 1cnk s PRO 250 N -3.32 3.65 0.26 2.91 0.04 -1.26 -4.55 135.00 132.74 1cnk s PRO 250 Ca 0.30 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.53 1cnk s PRO 250 Cb -0.09 -2.54 0.36 0.00 0.04 0.00 0.00 34.50 32.27 1cnk s PRO 250 CO 0.22 -0.75 1.66 1.25 0.04 0.00 0.00 177.00 179.42 1cnk h LEU 251 N 2.17 0.40 0.00 -3.56 5.85 -1.95 -3.44 115.31 114.78 1cnk h LEU 251 Ca -0.50 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1cnk h LEU 251 Cb 1.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1cnk h LEU 251 CO 0.60 0.76 0.00 0.29 -0.34 0.00 0.00 178.44 179.75 1cnk n LYS 252 N -4.03 0.00 -0.02 1.25 5.02 -1.26 -2.92 118.16 116.20 1cnk n LYS 252 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1cnk n LYS 252 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1cnk n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1cnk n ASN 253 N 2.36 1.42 -4.31 4.39 2.04 -1.26 -4.88 115.26 115.03 1cnk n ASN 253 Ca 0.00 -0.96 -0.17 0.00 -0.44 0.00 0.00 54.58 53.01 1cnk n ASN 253 Cb 0.00 -0.25 -0.10 0.00 -2.53 0.00 0.00 39.78 36.90 1cnk n ASN 253 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1cnk s ARG 254 N 0.63 1.22 0.00 -3.83 0.52 -1.15 -5.14 118.95 111.19 1cnk s ARG 254 Ca 0.00 -1.49 0.07 0.00 -0.52 0.00 0.00 55.73 53.79 1cnk s ARG 254 Cb 0.00 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.47 1cnk s ARG 254 CO 0.00 0.16 -0.22 -1.14 0.02 0.00 0.00 175.30 174.12 1cnk s GLN 255 N -3.48 1.71 -0.21 3.54 0.74 -1.26 -5.02 119.66 115.68 1cnk s GLN 255 Ca 0.19 -0.85 -0.06 0.00 0.05 0.00 0.00 55.36 54.68 1cnk s GLN 255 Cb -0.01 -1.71 -0.03 0.00 1.10 0.00 0.00 33.01 32.36 1cnk s GLN 255 CO 0.05 0.46 0.03 0.42 -0.55 0.00 0.00 175.29 175.70 1cnk s ILE 256 N -0.60 4.27 0.11 -2.34 1.01 -1.26 -4.67 121.20 117.72 1cnk s ILE 256 Ca 0.09 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1cnk s ILE 256 Cb -0.09 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1cnk s ILE 256 CO -0.00 0.41 0.17 -0.54 0.00 0.00 0.00 174.94 174.98 1cnk s LYS 257 N 0.98 3.16 0.08 2.79 -0.14 -0.37 -1.61 119.74 124.63 1cnk s LYS 257 Ca 0.03 -0.64 0.09 0.00 -1.36 0.00 0.00 55.97 54.09 1cnk s LYS 257 Cb -0.14 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 1cnk s LYS 257 CO 0.02 0.55 -0.22 0.00 -0.76 0.00 0.00 175.35 174.95 1cnk s ALA 258 N -1.57 2.51 -1.91 5.17 0.00 0.56 -0.57 121.76 125.94 1cnk s ALA 258 Ca 0.32 -1.32 0.27 0.00 0.00 0.00 0.00 51.96 51.23 1cnk s ALA 258 Cb -0.12 -0.58 0.80 0.00 0.00 0.00 0.00 23.12 23.21 1cnk s ALA 258 CO 0.25 0.56 1.59 -1.13 0.00 0.00 0.00 175.76 177.04 1cnk n SER 259 N 1.23 1.14 -4.19 0.00 3.41 -0.27 -1.22 113.62 113.72 1cnk n SER 259 Ca -0.17 -1.02 -0.14 0.00 -0.26 0.00 0.00 58.87 57.28 1cnk n SER 259 Cb 0.52 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 1cnk n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1cnk s PHE 260 N -2.40 1.08 -1.61 7.33 -0.71 -1.26 -4.89 117.98 115.51 1cnk s PHE 260 Ca 0.27 -0.69 0.13 0.00 -1.04 0.00 0.00 56.93 55.60 1cnk s PHE 260 Cb 0.20 -0.59 0.10 0.00 -1.21 0.00 0.00 43.02 41.52 1cnk s PHE 260 CO 0.48 0.00 0.91 1.17 -1.34 0.00 0.00 175.22 176.44