#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cy3 s ASP 2 N 0.00 4.81 0.34 0.00 1.11 -1.26 -5.10 116.67 116.58 2cy3 s ASP 2 Ca 0.00 0.02 -0.26 0.00 0.18 0.00 0.00 52.55 52.49 2cy3 s ASP 2 Cb 0.00 -1.26 -0.09 0.00 1.07 0.00 0.00 42.92 42.64 2cy3 s ASP 2 CO 0.00 0.37 1.05 0.00 1.18 0.00 0.00 175.17 177.77 2cy3 s ALA 3 N -0.82 3.22 0.96 5.23 0.00 -1.26 -5.03 121.76 124.05 2cy3 s ALA 3 Ca 0.12 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 2cy3 s ALA 3 Cb -0.11 -3.28 0.16 0.00 0.00 0.00 0.00 23.12 19.89 2cy3 s ALA 3 CO 0.02 -0.14 1.10 -1.25 0.00 0.00 0.00 175.76 175.48 2cy3 s PRO 4 N -2.04 0.76 1.08 0.00 0.04 -1.26 -5.03 135.00 128.55 2cy3 s PRO 4 Ca 0.52 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.00 2cy3 s PRO 4 Cb -0.25 -1.77 0.23 0.00 0.04 0.00 0.00 34.50 32.75 2cy3 s PRO 4 CO 0.32 -2.53 1.10 0.20 0.04 0.00 0.00 177.00 176.13 2cy3 s GLY 5 N -3.50 1.57 0.00 0.56 0.00 -1.26 -4.63 107.32 100.06 2cy3 s GLY 5 Ca 0.65 -0.58 0.20 0.00 0.00 0.00 0.00 44.72 44.98 2cy3 s GLY 5 CO 0.57 0.14 1.58 1.22 0.00 0.00 0.00 173.10 176.60 2cy3 n ASP 6 N -4.42 0.00 -0.09 1.64 8.00 -1.26 -2.42 116.55 118.00 2cy3 n ASP 6 Ca 0.08 -0.57 0.13 0.00 0.71 0.00 0.00 54.79 55.14 2cy3 n ASP 6 Cb 0.58 -0.02 0.45 0.00 -0.02 0.00 0.00 41.12 42.10 2cy3 n ASP 6 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2cy3 n ASP 7 N -1.02 0.54 -4.67 -2.24 5.75 -1.26 -4.52 116.55 109.13 2cy3 n ASP 7 Ca 0.14 -0.39 -0.44 0.00 -0.01 0.00 0.00 54.79 54.09 2cy3 n ASP 7 Cb 0.07 0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 2cy3 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cy3 n TYR 8 N -1.13 2.06 -4.59 2.11 4.19 -1.01 -4.90 117.16 113.89 2cy3 n TYR 8 Ca 0.10 0.52 -0.24 0.00 3.31 0.00 0.00 57.90 61.59 2cy3 n TYR 8 Cb 0.32 -2.41 -0.16 0.00 0.49 0.00 0.00 39.34 37.58 2cy3 n TYR 8 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2cy3 s VAL 9 N -0.55 1.11 -0.19 2.97 -7.23 -1.26 -1.37 120.40 113.88 2cy3 s VAL 9 Ca 0.63 -0.49 -0.14 0.00 -1.81 0.00 0.00 61.98 60.16 2cy3 s VAL 9 Cb -0.64 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2cy3 s VAL 9 CO 0.55 0.34 0.33 -0.63 -0.31 0.00 0.00 175.10 175.39 2cy3 s ILE 10 N 0.46 5.26 0.33 -0.62 1.01 0.50 -4.95 121.20 123.19 2cy3 s ILE 10 Ca -0.10 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.16 2cy3 s ILE 10 Cb -0.14 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 2cy3 s ILE 10 CO 0.03 0.32 0.07 -0.94 0.00 0.00 0.00 174.94 174.41 2cy3 s SER 11 N 0.81 2.32 0.43 3.58 1.04 -1.26 -0.91 113.70 119.71 2cy3 s SER 11 Ca 0.17 -1.40 -0.23 0.00 0.48 0.00 0.00 55.95 54.97 2cy3 s SER 11 Cb -0.14 -0.02 -0.09 0.00 0.10 0.00 0.00 66.02 65.87 2cy3 s SER 11 CO 0.06 -0.64 1.05 0.00 0.98 0.00 0.00 173.24 174.69 2cy3 s ALA 12 N -3.32 3.02 0.38 5.32 0.00 -1.26 -5.00 121.76 120.90 2cy3 s ALA 12 Ca 0.36 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 2cy3 s ALA 12 Cb 0.08 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2cy3 s ALA 12 CO 0.15 -0.27 1.26 -1.25 0.00 0.00 0.00 175.76 175.66 2cy3 s PRO 13 N -2.70 4.11 0.24 0.00 0.04 -1.26 -4.92 135.00 130.51 2cy3 s PRO 13 Ca 0.61 2.07 -0.31 0.00 0.04 0.00 0.00 61.00 63.41 2cy3 s PRO 13 Cb -0.21 -2.83 -0.14 0.00 0.04 0.00 0.00 34.50 31.36 2cy3 s PRO 13 CO 0.26 -0.35 1.25 0.39 0.04 0.00 0.00 177.00 178.59 2cy3 n GLU 14 N 0.31 1.66 0.00 4.56 -0.58 -1.26 -1.47 120.64 123.87 2cy3 n GLU 14 Ca 0.03 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 2cy3 n GLU 14 Cb 0.44 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 2cy3 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cy3 n GLY 15 N 1.78 1.02 3.63 0.62 0.00 -1.26 -5.03 105.19 105.95 2cy3 n GLY 15 Ca 0.11 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.62 2cy3 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cy3 n MET 16 N -2.00 1.46 -2.18 1.61 0.00 -0.54 -4.92 117.12 110.55 2cy3 n MET 16 Ca 0.00 0.53 -0.26 0.00 0.00 0.00 0.00 57.70 57.96 2cy3 n MET 16 Cb 0.00 -2.22 0.09 0.00 0.00 0.00 0.00 33.22 31.09 2cy3 n MET 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2cy3 s LYS 17 N 1.21 1.93 -0.11 2.12 -0.14 0.39 -5.02 119.74 120.11 2cy3 s LYS 17 Ca 0.85 -0.33 -0.12 0.00 -1.36 0.00 0.00 55.97 55.02 2cy3 s LYS 17 Cb -0.89 -2.13 0.03 0.00 -1.68 0.00 0.00 37.83 33.17 2cy3 s LYS 17 CO 0.47 -1.44 0.33 0.00 -0.76 0.00 0.00 175.35 173.95 2cy3 s ALA 18 N -3.35 -0.81 0.02 5.17 0.00 -1.26 -4.50 121.76 117.04 2cy3 s ALA 18 Ca 0.63 0.85 -0.34 0.00 0.00 0.00 0.00 51.96 53.09 2cy3 s ALA 18 Cb -0.09 -0.46 -0.13 0.00 0.00 0.00 0.00 23.12 22.43 2cy3 s ALA 18 CO 0.46 -0.17 1.71 1.17 0.00 0.00 0.00 175.76 178.93 2cy3 n LYS 19 N 2.69 2.06 -1.76 0.00 4.81 -1.26 -4.62 118.16 120.09 2cy3 n LYS 19 Ca -0.14 0.75 -0.34 0.00 -0.87 0.00 0.00 58.31 57.71 2cy3 n LYS 19 Cb 0.57 -2.54 0.05 0.00 0.02 0.00 0.00 35.03 33.13 2cy3 n LYS 19 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2cy3 s PRO 20 N 2.44 2.70 -1.23 1.64 0.04 -1.26 -4.03 135.00 135.30 2cy3 s PRO 20 Ca 0.86 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 2cy3 s PRO 20 Cb -0.72 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 32.08 2cy3 s PRO 20 CO 0.46 -1.36 1.59 1.17 0.04 0.00 0.00 177.00 178.89 2cy3 n LYS 21 N -2.26 3.53 0.00 4.56 3.00 0.11 -4.80 118.16 122.30 2cy3 n LYS 21 Ca 0.12 -3.79 0.00 0.00 -0.00 0.00 0.00 58.31 54.63 2cy3 n LYS 21 Cb 0.51 -2.95 0.00 0.00 0.00 0.00 0.00 35.03 32.59 2cy3 n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cy3 n GLY 22 N 3.40 1.55 0.00 3.14 0.00 -1.26 -1.55 105.19 110.47 2cy3 n GLY 22 Ca 0.37 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2cy3 n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cy3 n ASP 23 N 3.90 3.80 -4.82 1.61 5.75 -1.26 -5.04 116.55 120.50 2cy3 n ASP 23 Ca 0.00 -0.04 -0.37 0.00 -0.01 0.00 0.00 54.79 54.36 2cy3 n ASP 23 Cb 0.00 0.85 -0.06 0.00 -1.03 0.00 0.00 41.12 40.88 2cy3 n ASP 23 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2cy3 s LYS 24 N -1.61 4.20 0.21 0.11 2.47 -0.59 -5.02 119.74 119.51 2cy3 s LYS 24 Ca 0.00 0.76 -0.32 0.00 -1.56 0.00 0.00 55.97 54.85 2cy3 s LYS 24 Cb 0.00 -3.08 -0.12 0.00 -1.46 0.00 0.00 37.83 33.17 2cy3 s LYS 24 CO 0.00 0.54 1.73 -2.14 0.16 0.00 0.00 175.35 175.64 2cy3 s PRO 25 N -1.52 4.12 0.93 4.03 0.02 -1.26 0.09 135.00 141.40 2cy3 s PRO 25 Ca 0.35 2.62 -0.16 0.00 0.02 0.00 0.00 61.00 63.83 2cy3 s PRO 25 Cb -0.18 -3.09 0.22 0.00 0.02 0.00 0.00 34.50 31.46 2cy3 s PRO 25 CO 0.20 -0.76 1.14 0.41 -0.33 0.00 0.00 177.00 177.66 2cy3 n GLY 26 N 4.00 -1.77 3.12 0.52 0.00 -1.26 -4.61 105.19 105.20 2cy3 n GLY 26 Ca 0.16 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 2cy3 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cy3 s ALA 27 N -3.75 0.33 0.62 4.61 0.00 -1.26 -4.95 121.76 117.35 2cy3 s ALA 27 Ca 0.67 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 2cy3 s ALA 27 Cb -0.03 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 2cy3 s ALA 27 CO 0.48 -0.41 1.05 -0.51 0.00 0.00 0.00 175.76 176.37 2cy3 s LEU 28 N -2.91 3.36 0.87 0.00 1.43 -1.26 -4.87 118.68 115.30 2cy3 s LEU 28 Ca 0.07 1.69 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 2cy3 s LEU 28 Cb 0.07 -4.51 0.11 0.00 0.03 0.00 0.00 46.19 41.89 2cy3 s LEU 28 CO -0.10 -1.18 1.13 -1.10 0.23 0.00 0.00 176.35 175.33 2cy3 s GLN 29 N -4.49 1.52 0.78 1.70 -1.52 -1.26 -5.02 119.66 111.37 2cy3 s GLN 29 Ca 0.60 0.33 -0.11 0.00 -1.95 0.00 0.00 55.36 54.24 2cy3 s GLN 29 Cb -0.14 -1.88 0.06 0.00 -0.22 0.00 0.00 33.01 30.83 2cy3 s GLN 29 CO 0.44 -1.95 1.11 0.15 -0.25 0.00 0.00 175.29 174.79 2cy3 s LYS 30 N -5.31 2.10 0.76 2.91 1.02 -1.26 -5.00 119.74 114.96 2cy3 s LYS 30 Ca 0.63 1.32 -0.11 0.00 0.02 0.00 0.00 55.97 57.82 2cy3 s LYS 30 Cb -0.14 -1.87 0.05 0.00 -0.52 0.00 0.00 37.83 35.35 2cy3 s LYS 30 CO 0.53 -1.79 1.08 0.95 -0.92 0.00 0.00 175.35 175.20 2cy3 s THR 31 N -2.70 3.45 -0.32 2.17 -4.23 -1.24 -4.49 115.64 108.28 2cy3 s THR 31 Ca 0.64 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 61.59 2cy3 s THR 31 Cb -0.20 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.52 2cy3 s THR 31 CO 0.53 -0.62 0.05 -0.69 -0.54 0.00 0.00 174.62 173.36 2cy3 s VAL 32 N -3.07 3.27 0.25 2.29 1.01 -0.09 -1.72 120.40 122.34 2cy3 s VAL 32 Ca 0.60 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2cy3 s VAL 32 Cb -0.15 -2.90 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 2cy3 s VAL 32 CO 0.55 -0.17 1.40 -2.84 0.00 0.00 0.00 175.10 174.04 2cy3 s PRO 33 N 1.29 4.29 -0.21 2.72 0.02 -1.26 -0.37 135.00 141.49 2cy3 s PRO 33 Ca -0.03 2.26 -0.02 0.00 0.02 0.00 0.00 61.00 63.23 2cy3 s PRO 33 Cb -0.20 -3.11 0.06 0.00 0.02 0.00 0.00 34.50 31.27 2cy3 s PRO 33 CO -0.00 -0.37 0.03 0.12 -0.33 0.00 0.00 177.00 176.45 2cy3 s PHE 34 N -0.15 1.22 -0.41 6.54 5.36 -0.47 -4.88 117.98 125.19 2cy3 s PHE 34 Ca 0.57 -1.02 -0.18 0.00 -0.96 0.00 0.00 56.93 55.35 2cy3 s PHE 34 Cb -0.41 -1.13 0.02 0.00 -0.34 0.00 0.00 43.02 41.15 2cy3 s PHE 34 CO 0.44 -0.65 0.46 -1.25 -1.46 0.00 0.00 175.22 172.76 2cy3 s PRO 35 N 1.79 3.20 0.32 10.12 0.04 -1.26 -4.39 135.00 144.82 2cy3 s PRO 35 Ca -0.01 -0.64 -0.00 0.00 0.04 0.00 0.00 61.00 60.40 2cy3 s PRO 35 Cb -0.17 -3.94 0.53 0.00 0.04 0.00 0.00 34.50 30.96 2cy3 s PRO 35 CO -0.09 -0.82 1.99 0.45 0.04 0.00 0.00 177.00 178.56 2cy3 h HIS 36 N 8.70 0.92 -0.05 0.56 3.86 -1.83 -2.57 115.15 124.74 2cy3 h HIS 36 Ca -0.27 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.98 2cy3 h HIS 36 Cb 1.11 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 2cy3 h HIS 36 CO 0.65 0.59 0.05 1.79 0.86 0.00 0.00 177.93 181.86 2cy3 h THR 37 N 0.99 0.68 0.00 2.45 1.35 -1.93 0.15 112.91 116.60 2cy3 h THR 37 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 2cy3 h THR 37 Cb -0.10 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2cy3 h THR 37 CO -0.06 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.50 2cy3 n LYS 38 N -4.09 0.41 -0.34 4.72 4.76 -0.97 -3.19 118.16 119.46 2cy3 n LYS 38 Ca -0.02 0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.51 2cy3 n LYS 38 Cb 0.14 -1.50 0.15 0.00 -1.84 0.00 0.00 35.03 31.98 2cy3 n LYS 38 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2cy3 n HIS 39 N -1.29 0.00 0.29 2.13 8.25 0.50 -4.75 115.22 120.35 2cy3 n HIS 39 Ca 0.14 -1.06 0.15 0.00 -0.26 0.00 0.00 57.72 56.69 2cy3 n HIS 39 Cb 0.23 -0.17 0.87 0.00 1.12 0.00 0.00 29.99 32.04 2cy3 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cy3 h ALA 40 N 0.37 1.33 0.00 -1.41 0.00 -1.48 -1.42 119.26 116.65 2cy3 h ALA 40 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2cy3 h ALA 40 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2cy3 h ALA 40 CO 0.00 0.06 0.00 2.41 0.00 0.00 0.00 179.25 181.73 2cy3 n THR 41 N -3.63 0.06 -4.32 0.00 -1.04 -1.26 -4.69 114.28 99.41 2cy3 n THR 41 Ca -0.02 0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 2cy3 n THR 41 Cb 0.15 -0.55 -0.11 0.00 -1.82 0.00 0.00 70.33 68.00 2cy3 n THR 41 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2cy3 s VAL 42 N -2.52 4.11 0.47 12.58 1.01 -0.54 -5.09 120.40 130.43 2cy3 s VAL 42 Ca 0.29 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 2cy3 s VAL 42 Cb 0.19 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 2cy3 s VAL 42 CO 0.42 0.49 1.33 -1.61 0.00 0.00 0.00 175.10 175.73 2cy3 s GLU 43 N 0.27 3.59 0.22 2.72 0.41 -1.26 -4.90 118.70 119.75 2cy3 s GLU 43 Ca -0.02 2.18 -0.08 0.00 -0.41 0.00 0.00 54.97 56.65 2cy3 s GLU 43 Cb -0.14 -2.50 0.33 0.00 -1.78 0.00 0.00 34.13 30.04 2cy3 s GLU 43 CO 0.02 -0.81 1.76 0.00 -0.49 0.00 0.00 175.26 175.74 2cy3 h VAL 45 N 0.53 0.84 -0.79 0.00 -1.51 -1.91 0.24 116.25 113.64 2cy3 h VAL 45 Ca 0.34 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.82 2cy3 h VAL 45 Cb 0.39 0.90 -0.04 0.00 -2.13 0.00 0.00 31.29 30.41 2cy3 h VAL 45 CO -0.29 0.00 0.52 -0.61 -1.23 0.00 0.00 177.57 175.96 2cy3 h GLN 46 N 0.00 1.03 0.05 5.19 4.15 -1.68 -2.22 115.11 121.62 2cy3 h GLN 46 Ca 0.09 -0.06 -0.25 0.00 0.77 0.00 0.00 58.65 59.20 2cy3 h GLN 46 Cb 0.38 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2cy3 h GLN 46 CO -0.00 0.68 -1.35 0.00 -1.93 0.00 0.00 178.83 176.22 2cy3 n HIS 48 N -4.15 2.77 0.09 0.00 8.25 0.04 -4.80 115.22 117.42 2cy3 n HIS 48 Ca -0.29 -2.85 0.06 0.00 -0.26 0.00 0.00 57.72 54.38 2cy3 n HIS 48 Cb 0.79 -2.01 0.32 0.00 1.12 0.00 0.00 29.99 30.21 2cy3 n HIS 48 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2cy3 n HIS 49 N 3.08 0.40 -0.36 4.41 -0.00 -0.84 -1.70 115.22 120.22 2cy3 n HIS 49 Ca 0.55 0.21 0.07 0.00 -0.00 0.00 0.00 57.72 58.55 2cy3 n HIS 49 Cb 0.30 -0.83 0.19 0.00 -0.00 0.00 0.00 29.99 29.65 2cy3 n HIS 49 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2cy3 n THR 50 N -1.92 1.27 -0.25 0.61 -2.24 -1.26 -4.71 114.28 105.78 2cy3 n THR 50 Ca -0.01 -1.16 -0.01 0.00 -2.27 0.00 0.00 64.05 60.60 2cy3 n THR 50 Cb 0.02 0.35 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 2cy3 n THR 50 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2cy3 h LEU 51 N 2.26 -0.97 -0.02 3.22 5.85 -1.62 0.68 115.31 124.70 2cy3 h LEU 51 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2cy3 h LEU 51 Cb 0.92 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 2cy3 h LEU 51 CO 0.05 -0.28 0.01 -0.08 -0.34 0.00 0.00 178.44 177.81 2cy3 h GLU 52 N -0.07 0.03 -0.15 1.25 4.81 -1.85 -1.36 114.58 117.25 2cy3 h GLU 52 Ca 0.31 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 2cy3 h GLU 52 Cb 0.56 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2cy3 h GLU 52 CO -0.77 0.04 0.03 0.00 -0.73 0.00 0.00 179.01 177.58 2cy3 h ALA 53 N 0.99 1.77 -0.22 2.92 0.00 -1.72 -0.62 119.26 122.39 2cy3 h ALA 53 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2cy3 h ALA 53 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2cy3 h ALA 53 CO -0.00 0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 2cy3 n ASP 54 N -4.44 1.38 -3.25 0.00 8.00 0.16 -4.93 116.55 113.47 2cy3 n ASP 54 Ca -0.01 -2.04 -0.23 0.00 0.71 0.00 0.00 54.79 53.22 2cy3 n ASP 54 Cb 0.14 -0.21 0.04 0.00 -0.02 0.00 0.00 41.12 41.07 2cy3 n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cy3 n GLY 55 N 0.77 -0.52 1.68 0.44 0.00 -0.24 -2.58 105.19 104.74 2cy3 n GLY 55 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2cy3 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cy3 n GLY 56 N -1.61 1.70 3.83 -0.02 0.00 -0.60 -5.03 105.19 103.47 2cy3 n GLY 56 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2cy3 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cy3 s ALA 57 N -2.54 3.52 -0.30 4.61 0.00 -1.06 -4.20 121.76 121.79 2cy3 s ALA 57 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 2cy3 s ALA 57 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2cy3 s ALA 57 CO 0.00 0.41 0.35 0.08 0.00 0.00 0.00 175.76 176.60 2cy3 s VAL 58 N -1.46 5.18 0.07 0.00 1.01 -1.26 -4.75 120.40 119.19 2cy3 s VAL 58 Ca 0.39 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.71 2cy3 s VAL 58 Cb -0.16 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2cy3 s VAL 58 CO 0.20 0.07 0.16 -0.54 0.00 0.00 0.00 175.10 174.99 2cy3 s LYS 59 N 2.03 3.23 0.41 2.72 1.02 -1.26 -5.07 119.74 122.82 2cy3 s LYS 59 Ca 0.13 -0.53 -0.26 0.00 0.02 0.00 0.00 55.97 55.33 2cy3 s LYS 59 Cb -0.16 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 2cy3 s LYS 59 CO 0.11 0.60 1.35 0.15 -0.92 0.00 0.00 175.35 176.64 2cy3 s LYS 60 N -2.45 3.90 0.52 1.68 1.02 -1.26 -4.88 119.74 118.28 2cy3 s LYS 60 Ca 0.33 2.27 0.24 0.00 0.02 0.00 0.00 55.97 58.82 2cy3 s LYS 60 Cb -0.13 -2.75 1.36 0.00 -0.52 0.00 0.00 37.83 35.80 2cy3 s LYS 60 CO 0.26 -0.58 2.01 0.00 -0.92 0.00 0.00 175.35 176.11 2cy3 n THR 62 N -4.40 0.23 -1.50 0.00 -2.24 -1.26 -1.35 114.28 103.76 2cy3 n THR 62 Ca 0.08 -0.48 -0.36 0.00 -2.27 0.00 0.00 64.05 61.03 2cy3 n THR 62 Cb 0.53 0.75 0.08 0.00 -2.10 0.00 0.00 70.33 69.60 2cy3 n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cy3 n THR 63 N 0.81 3.72 -1.62 4.28 -2.24 -0.87 -3.94 114.28 114.43 2cy3 n THR 63 Ca 0.17 -0.41 -0.55 0.00 -2.27 0.00 0.00 64.05 61.00 2cy3 n THR 63 Cb 0.46 -1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 67.32 2cy3 n THR 63 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2cy3 n SER 64 N -2.01 1.67 0.00 3.42 2.88 -1.26 -0.15 113.62 118.16 2cy3 n SER 64 Ca 0.15 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 2cy3 n SER 64 Cb 0.49 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2cy3 n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cy3 n GLY 65 N 2.92 0.85 0.00 0.46 0.00 -1.26 -5.00 105.19 103.15 2cy3 n GLY 65 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2cy3 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cy3 n HIS 67 N 0.00 3.57 1.11 0.00 8.25 -0.46 -4.64 115.22 123.04 2cy3 n HIS 67 Ca 0.00 -2.93 0.12 0.00 -0.26 0.00 0.00 57.72 54.65 2cy3 n HIS 67 Cb 0.00 -2.31 0.22 0.00 1.12 0.00 0.00 29.99 29.02 2cy3 n HIS 67 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2cy3 n ASP 68 N 5.50 1.05 -4.77 0.41 2.03 -1.23 -4.03 116.55 115.51 2cy3 n ASP 68 Ca 0.46 -0.83 -0.40 0.00 0.52 0.00 0.00 54.79 54.54 2cy3 n ASP 68 Cb 0.39 0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 41.10 2cy3 n ASP 68 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2cy3 s SER 69 N -2.69 6.47 0.00 1.67 0.15 -1.13 -4.90 113.70 113.27 2cy3 s SER 69 Ca 0.18 2.64 0.16 0.00 0.70 0.00 0.00 55.95 59.63 2cy3 s SER 69 Cb 0.18 -2.64 0.31 0.00 -1.71 0.00 0.00 66.02 62.16 2cy3 s SER 69 CO 0.62 -0.74 1.22 0.18 1.20 0.00 0.00 173.24 175.71 2cy3 n LEU 70 N 0.33 2.91 -4.76 3.45 4.32 -1.26 -4.32 117.00 117.67 2cy3 n LEU 70 Ca 0.03 -1.56 -0.39 0.00 -0.02 0.00 0.00 56.01 54.06 2cy3 n LEU 70 Cb 0.43 -0.19 -0.06 0.00 -1.62 0.00 0.00 43.42 41.98 2cy3 n LEU 70 CO 0.56 0.66 0.67 -1.61 -1.22 0.00 0.00 177.39 176.45 2cy3 s GLU 71 N -1.15 4.75 0.55 3.23 0.41 -1.26 -0.46 118.70 124.76 2cy3 s GLU 71 Ca 0.27 1.49 -0.16 0.00 -0.41 0.00 0.00 54.97 56.16 2cy3 s GLU 71 Cb 0.16 -3.13 -0.06 0.00 -1.78 0.00 0.00 34.13 29.32 2cy3 s GLU 71 CO 0.22 0.41 1.03 -0.59 -0.49 0.00 0.00 175.26 175.83 2cy3 s PHE 72 N -1.30 3.17 -0.05 1.61 -0.12 -1.26 -4.67 117.98 115.35 2cy3 s PHE 72 Ca 0.44 1.50 -0.30 0.00 -0.05 0.00 0.00 56.93 58.52 2cy3 s PHE 72 Cb -0.25 -2.93 -0.03 0.00 -0.63 0.00 0.00 43.02 39.18 2cy3 s PHE 72 CO 0.31 -0.80 1.14 0.50 -0.05 0.00 0.00 175.22 176.32 2cy3 s ARG 73 N -4.01 4.39 0.00 1.99 3.52 -1.26 -4.97 118.95 118.61 2cy3 s ARG 73 Ca 0.62 1.60 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 2cy3 s ARG 73 Cb -0.14 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 2cy3 s ARG 73 CO 0.33 -0.38 0.00 -3.47 -0.81 0.00 0.00 175.30 170.98 2cy3 n ASP 74 N 4.97 0.25 -0.07 -2.12 -0.08 -1.26 -4.95 116.55 113.29 2cy3 n ASP 74 Ca 0.10 -0.87 -0.14 0.00 -1.51 0.00 0.00 54.79 52.37 2cy3 n ASP 74 Cb 0.47 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.87 2cy3 n ASP 74 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2cy3 h LYS 75 N 0.00 0.63 -0.65 -0.67 1.57 -1.98 -1.63 116.57 113.83 2cy3 h LYS 75 Ca 0.00 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 2cy3 h LYS 75 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2cy3 h LYS 75 CO 0.00 1.00 0.33 0.00 -0.57 0.00 0.00 179.45 180.22 2cy3 h ALA 76 N 0.62 1.37 -0.19 3.86 0.00 -1.99 -3.07 119.26 119.85 2cy3 h ALA 76 Ca 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2cy3 h ALA 76 Cb 0.96 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2cy3 h ALA 76 CO 0.08 0.51 -0.12 0.27 0.00 0.00 0.00 179.25 180.00 2cy3 n ASN 77 N -4.36 2.66 0.14 0.00 0.23 -1.23 -4.77 115.26 107.93 2cy3 n ASN 77 Ca 0.06 -3.46 0.17 0.00 -0.53 0.00 0.00 54.58 50.82 2cy3 n ASN 77 Cb 0.11 -0.55 0.74 0.00 -2.08 0.00 0.00 39.78 38.00 2cy3 n ASN 77 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2cy3 h ALA 78 N 0.98 2.11 -0.01 -2.53 0.00 -1.19 -2.09 119.26 116.52 2cy3 h ALA 78 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2cy3 h ALA 78 Cb 1.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2cy3 h ALA 78 CO 0.19 -0.38 -0.34 1.17 0.00 0.00 0.00 179.25 179.90 2cy3 n LYS 79 N -4.16 1.19 -2.09 0.00 4.81 -1.26 -4.92 118.16 111.72 2cy3 n LYS 79 Ca 0.04 -0.88 -0.43 0.00 -0.87 0.00 0.00 58.31 56.17 2cy3 n LYS 79 Cb 0.39 -1.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 2cy3 n LYS 79 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2cy3 s ASP 80 N -2.42 6.00 0.05 3.14 -1.08 -0.79 -4.85 116.67 116.72 2cy3 s ASP 80 Ca 0.22 1.15 0.14 0.00 -0.52 0.00 0.00 52.55 53.54 2cy3 s ASP 80 Cb 0.19 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.71 2cy3 s ASP 80 CO 0.52 -1.65 1.43 0.00 0.52 0.00 0.00 175.17 175.99 2cy3 n ILE 81 N 7.32 1.15 0.37 4.11 0.13 -1.26 -1.94 119.36 129.24 2cy3 n ILE 81 Ca 0.21 0.31 0.14 0.00 -1.10 0.00 0.00 62.75 62.31 2cy3 n ILE 81 Cb 0.47 -1.14 0.43 0.00 -0.84 0.00 0.00 39.64 38.56 2cy3 n ILE 81 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 2cy3 h LYS 82 N 0.00 0.00 -6.87 9.51 1.57 -1.89 -3.39 116.57 115.50 2cy3 h LYS 82 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2cy3 h LYS 82 Cb 0.21 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.58 2cy3 h LYS 82 CO 0.00 0.00 0.59 -0.51 -0.57 0.00 0.00 179.45 178.96 2cy3 s LEU 83 N -5.42 4.45 0.10 2.94 1.02 -0.82 -2.83 118.68 118.11 2cy3 s LEU 83 Ca 0.06 2.58 -0.21 0.00 0.02 0.00 0.00 54.13 56.57 2cy3 s LEU 83 Cb 0.09 -3.66 -0.11 0.00 0.02 0.00 0.00 46.19 42.53 2cy3 s LEU 83 CO 0.56 -0.45 1.72 0.58 0.02 0.00 0.00 176.35 178.79 2cy3 h VAL 84 N 3.02 1.05 -0.90 -1.59 2.07 -1.83 -1.69 116.25 116.38 2cy3 h VAL 84 Ca -0.48 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2cy3 h VAL 84 Cb 1.22 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2cy3 h VAL 84 CO 0.66 0.05 0.57 -0.08 0.02 0.00 0.00 177.57 178.78 2cy3 h GLU 85 N 0.11 1.00 -0.12 1.57 4.81 -1.92 -1.90 114.58 118.13 2cy3 h GLU 85 Ca 0.04 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2cy3 h GLU 85 Cb 0.03 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2cy3 h GLU 85 CO -0.01 0.66 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.86 2cy3 h ASN 86 N 1.03 0.35 0.01 1.04 2.35 -1.81 -1.32 115.58 117.23 2cy3 h ASN 86 Ca 0.39 -0.52 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2cy3 h ASN 86 Cb 0.17 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2cy3 h ASN 86 CO -0.17 0.80 -0.21 0.00 -1.65 0.00 0.00 177.43 176.19 2cy3 h ALA 87 N 0.56 -0.29 -0.24 -0.83 0.00 -0.97 -1.43 119.26 116.06 2cy3 h ALA 87 Ca 0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2cy3 h ALA 87 Cb 0.72 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2cy3 h ALA 87 CO 0.04 -0.71 -0.52 0.74 0.00 0.00 0.00 179.25 178.80 2cy3 h PHE 88 N -0.35 0.99 -0.61 0.00 0.04 -1.43 -2.99 116.94 112.59 2cy3 h PHE 88 Ca 0.06 -0.36 -0.09 0.00 2.80 0.00 0.00 57.97 60.37 2cy3 h PHE 88 Cb 0.42 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2cy3 h PHE 88 CO -0.25 1.17 0.01 0.45 -0.60 0.00 0.00 178.31 179.09 2cy3 h HIS 89 N 0.52 1.15 -0.74 -0.55 3.86 -1.17 0.14 115.15 118.36 2cy3 h HIS 89 Ca 0.00 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 58.96 2cy3 h HIS 89 Cb 1.13 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 2cy3 h HIS 89 CO 0.08 1.01 0.25 1.15 0.86 0.00 0.00 177.93 181.28 2cy3 h THR 90 N 0.97 1.26 0.35 2.45 2.02 -1.32 -1.70 112.91 116.93 2cy3 h THR 90 Ca 0.17 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2cy3 h THR 90 Cb 0.55 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2cy3 h THR 90 CO 0.03 0.35 -0.17 -0.61 0.37 0.00 0.00 175.52 175.49 2cy3 h GLN 91 N 1.10 -0.45 0.59 6.66 4.15 -1.33 -3.26 115.11 122.57 2cy3 h GLN 91 Ca 0.24 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 2cy3 h GLN 91 Cb 0.28 0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.08 2cy3 h GLN 91 CO -0.01 -0.30 -0.28 0.00 -1.93 0.00 0.00 178.83 176.30 2cy3 h ILE 93 N -0.97 0.97 -0.54 0.00 2.04 -1.48 -3.04 117.51 114.49 2cy3 h ILE 93 Ca -0.08 -0.40 0.11 0.00 1.00 0.00 0.00 64.86 65.49 2cy3 h ILE 93 Cb 0.66 1.23 -0.09 0.00 -0.74 0.00 0.00 36.82 37.88 2cy3 h ILE 93 CO 0.13 0.10 0.00 0.44 0.00 0.00 0.00 178.15 178.82 2cy3 h ASP 94 N -0.36 -0.23 -0.09 1.72 5.19 -1.60 0.14 116.42 121.20 2cy3 h ASP 94 Ca -0.02 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 2cy3 h ASP 94 Cb 0.29 0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 2cy3 h ASP 94 CO 0.03 -0.08 0.03 0.00 -3.12 0.00 0.00 179.24 176.09 2cy3 h HIS 96 N -0.03 0.04 -0.38 0.00 3.86 -1.28 -0.82 115.15 116.53 2cy3 h HIS 96 Ca 0.03 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2cy3 h HIS 96 Cb 0.20 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 2cy3 h HIS 96 CO -0.01 -0.01 0.24 -0.22 0.86 0.00 0.00 177.93 178.79 2cy3 h LYS 97 N 0.13 0.47 -0.92 2.45 3.64 -0.92 -0.93 116.57 120.49 2cy3 h LYS 97 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2cy3 h LYS 97 Cb 0.16 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 2cy3 h LYS 97 CO -0.20 0.31 0.53 0.00 -2.27 0.00 0.00 179.45 177.83 2cy3 h ALA 98 N 1.16 1.17 -0.37 5.00 0.00 -0.83 -1.68 119.26 123.71 2cy3 h ALA 98 Ca 0.15 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2cy3 h ALA 98 Cb -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2cy3 h ALA 98 CO -0.05 0.65 -0.26 -0.07 0.00 0.00 0.00 179.25 179.51 2cy3 h LEU 99 N 1.27 0.77 -0.63 0.00 3.38 -0.77 -2.61 115.31 116.72 2cy3 h LEU 99 Ca 0.33 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2cy3 h LEU 99 Cb -0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2cy3 h LEU 99 CO -0.06 0.99 0.41 0.50 0.09 0.00 0.00 178.44 180.37 2cy3 h LYS 100 N 0.65 0.80 -0.93 1.13 3.64 -0.54 -1.87 116.57 119.45 2cy3 h LYS 100 Ca 0.08 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2cy3 h LYS 100 Cb 0.77 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.36 2cy3 h LYS 100 CO 0.06 0.53 0.61 -0.22 -2.27 0.00 0.00 179.45 178.16 2cy3 h LYS 101 N 0.82 1.20 -0.01 1.90 3.64 -1.11 -1.58 116.57 121.43 2cy3 h LYS 101 Ca 0.24 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2cy3 h LYS 101 Cb -0.05 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 2cy3 h LYS 101 CO -0.07 0.79 0.00 -3.47 -2.27 0.00 0.00 179.45 174.43 2cy3 n ASP 102 N -4.41 0.08 -3.26 4.20 2.03 -0.74 -4.93 116.55 109.51 2cy3 n ASP 102 Ca 0.11 -1.35 -0.10 0.00 0.52 0.00 0.00 54.79 53.97 2cy3 n ASP 102 Cb 0.04 -0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.46 2cy3 n ASP 102 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2cy3 n LYS 103 N -0.78 -1.56 -3.94 -0.67 4.81 -0.60 -5.05 118.16 110.37 2cy3 n LYS 103 Ca 0.16 1.13 -0.10 0.00 -0.87 0.00 0.00 58.31 58.64 2cy3 n LYS 103 Cb 0.09 -5.21 -0.06 0.00 0.02 0.00 0.00 35.03 29.87 2cy3 n LYS 103 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2cy3 s LYS 104 N -3.94 1.31 0.21 1.64 -2.85 -1.16 -5.07 119.74 109.89 2cy3 s LYS 104 Ca 0.18 -1.16 -0.32 0.00 -1.00 0.00 0.00 55.97 53.67 2cy3 s LYS 104 Cb -0.04 0.43 -0.15 0.00 -2.06 0.00 0.00 37.83 36.01 2cy3 s LYS 104 CO 0.78 -0.51 1.17 -2.30 0.10 0.00 0.00 175.35 174.59 2cy3 n PRO 105 N -0.29 1.35 -3.94 1.78 -0.02 -1.26 -4.54 135.00 128.08 2cy3 n PRO 105 Ca -0.06 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2cy3 n PRO 105 Cb 0.63 -1.98 -0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2cy3 n PRO 105 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2cy3 n THR 106 N 1.30 0.00 -3.60 3.45 5.66 -1.26 -4.88 114.28 114.95 2cy3 n THR 106 Ca 0.13 -1.43 -0.24 0.00 -3.05 0.00 0.00 64.05 59.45 2cy3 n THR 106 Cb 0.27 1.07 0.02 0.00 -1.55 0.00 0.00 70.33 70.15 2cy3 n THR 106 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2cy3 s GLY 107 N -3.17 2.15 0.42 1.09 0.00 -1.26 -5.10 107.32 101.45 2cy3 s GLY 107 Ca 0.23 -1.52 -0.26 0.00 0.00 0.00 0.00 44.72 43.17 2cy3 s GLY 107 CO 0.17 -1.88 1.45 -1.55 0.00 0.00 0.00 173.10 171.29 2cy3 n PRO 108 N -1.99 2.41 -0.00 2.90 -0.04 -1.26 -4.82 135.00 132.20 2cy3 n PRO 108 Ca 0.04 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2cy3 n PRO 108 Cb 0.64 -2.64 -0.00 0.00 -0.04 0.00 0.00 33.50 31.45 2cy3 n PRO 108 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2cy3 n THR 109 N 0.03 0.00 -3.10 0.52 -2.24 -1.26 -4.84 114.28 103.39 2cy3 n THR 109 Ca 0.04 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 2cy3 n THR 109 Cb 0.40 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 2cy3 n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cy3 s ALA 110 N -1.79 3.50 0.18 6.98 0.00 -1.26 -4.99 121.76 124.38 2cy3 s ALA 110 Ca -0.00 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 2cy3 s ALA 110 Cb 0.00 -2.83 0.13 0.00 0.00 0.00 0.00 23.12 20.42 2cy3 s ALA 110 CO 0.01 0.32 1.62 0.00 0.00 0.00 0.00 175.76 177.71 2cy3 h GLY 112 N -0.11 0.00 1.37 0.00 0.00 -1.94 -0.13 103.07 102.25 2cy3 h GLY 112 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2cy3 h GLY 112 CO -0.54 0.00 -0.33 1.17 0.00 0.00 0.00 176.54 176.84 2cy3 n LYS 113 N -2.96 0.03 -0.05 4.80 4.81 -0.40 -4.16 118.16 120.22 2cy3 n LYS 113 Ca 0.00 0.01 -0.09 0.00 -0.87 0.00 0.00 58.31 57.36 2cy3 n LYS 113 Cb 0.26 -1.52 -0.05 0.00 0.02 0.00 0.00 35.03 33.74 2cy3 n LYS 113 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cy3 s HIS 115 N -2.21 2.68 0.00 0.00 3.76 -0.10 -4.21 115.29 115.22 2cy3 s HIS 115 Ca -0.15 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2cy3 s HIS 115 Cb 0.05 -4.24 0.00 0.00 1.11 0.00 0.00 32.58 29.50 2cy3 s HIS 115 CO 0.22 -1.58 0.00 0.25 -0.85 0.00 0.00 174.74 172.79 2cy3 n THR 116 N 6.05 0.00 -1.54 1.30 -2.24 -0.70 -4.53 114.28 112.62 2cy3 n THR 116 Ca -0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 2cy3 n THR 116 Cb 0.46 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 2cy3 n THR 116 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2cy3 n THR 117 N -2.19 0.02 -0.88 4.28 -1.04 -0.99 -4.88 114.28 108.60 2cy3 n THR 117 Ca 0.00 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 2cy3 n THR 117 Cb 0.38 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.50 2cy3 n THR 117 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23