#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm2 s SER 2 N 0.00 -0.55 -0.30 1.61 0.15 -1.26 -5.11 113.70 108.24 2dm2 s SER 2 Ca 0.00 0.43 -0.28 0.00 0.70 0.00 0.00 55.95 56.80 2dm2 s SER 2 Cb 0.00 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2dm2 s SER 2 CO 0.00 -0.62 2.13 -0.44 1.20 0.00 0.00 173.24 175.51 2dm2 s SER 3 N -1.63 5.40 0.29 5.45 0.01 -1.26 -4.91 113.70 117.04 2dm2 s SER 3 Ca -0.05 1.56 -0.09 0.00 1.31 0.00 0.00 55.95 58.69 2dm2 s SER 3 Cb -0.00 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 2dm2 s SER 3 CO 0.02 -2.06 0.47 -0.83 0.41 0.00 0.00 173.24 171.25 2dm2 s GLY 4 N 8.34 0.93 -0.18 3.44 0.00 -1.26 -5.09 107.32 113.50 2dm2 s GLY 4 Ca 0.94 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 44.33 2dm2 s GLY 4 CO 0.33 -0.79 0.11 1.48 0.00 0.00 0.00 173.10 174.23 2dm2 h SER 5 N 2.21 0.00 -3.25 1.64 4.64 -2.06 -3.47 113.55 113.26 2dm2 h SER 5 Ca -0.28 -0.35 -0.58 0.00 -0.47 0.00 0.00 61.79 60.11 2dm2 h SER 5 Cb 1.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 2dm2 h SER 5 CO 0.38 1.19 -0.07 -0.44 -0.87 0.00 0.00 176.83 177.01 2dm2 s SER 6 N -6.40 6.90 0.00 4.97 0.01 -1.26 -4.73 113.70 113.18 2dm2 s SER 6 Ca -0.23 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2dm2 s SER 6 Cb 0.04 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2dm2 s SER 6 CO 0.45 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.86 2dm2 n GLY 7 N 2.41 0.20 3.75 3.44 0.00 -1.26 -5.09 105.19 108.63 2dm2 n GLY 7 Ca -0.09 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2dm2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm2 s ALA 8 N 0.00 2.30 0.65 4.61 0.00 -1.26 -3.31 121.76 124.74 2dm2 s ALA 8 Ca 0.00 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 2dm2 s ALA 8 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2dm2 s ALA 8 CO 0.00 -1.56 1.11 -1.25 0.00 0.00 0.00 175.76 174.06 2dm2 s PRO 9 N -3.95 2.86 -0.23 0.00 0.04 -1.26 -4.39 135.00 128.07 2dm2 s PRO 9 Ca 0.71 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 2dm2 s PRO 9 Cb -0.25 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.40 2dm2 s PRO 9 CO 0.43 -1.21 0.59 -0.59 0.04 0.00 0.00 177.00 176.26 2dm2 s PHE 10 N -2.28 -0.74 -0.61 0.56 -0.71 -1.23 -4.77 117.98 108.20 2dm2 s PHE 10 Ca 0.68 1.67 -0.28 0.00 -1.04 0.00 0.00 56.93 57.96 2dm2 s PHE 10 Cb -0.21 0.32 0.03 0.00 -1.21 0.00 0.00 43.02 41.95 2dm2 s PHE 10 CO 0.40 -0.36 1.21 -0.06 -1.34 0.00 0.00 175.22 175.06 2dm2 s PHE 11 N 0.75 2.54 0.33 3.49 0.08 -1.26 -1.75 117.98 122.15 2dm2 s PHE 11 Ca -0.03 0.31 0.17 0.00 0.12 0.00 0.00 56.93 57.50 2dm2 s PHE 11 Cb -0.05 -4.54 0.86 0.00 -0.57 0.00 0.00 43.02 38.72 2dm2 s PHE 11 CO -0.05 -1.69 1.85 0.93 -0.10 0.00 0.00 175.22 176.15 2dm2 h GLU 12 N 9.65 0.00 -3.19 0.44 5.08 -1.62 -3.40 114.58 121.55 2dm2 h GLU 12 Ca -0.26 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.61 2dm2 h GLU 12 Cb 1.06 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.90 2dm2 h GLU 12 CO 1.21 0.32 -0.76 1.41 -1.00 0.00 0.00 179.01 180.19 2dm2 s MET 13 N -4.03 0.28 0.73 2.33 1.75 -1.25 -4.95 119.30 114.17 2dm2 s MET 13 Ca -0.02 -0.28 -0.14 0.00 -1.25 0.00 0.00 55.69 53.99 2dm2 s MET 13 Cb 0.13 -1.84 0.04 0.00 2.84 0.00 0.00 34.83 36.01 2dm2 s MET 13 CO 0.69 -0.72 1.18 0.15 -0.65 0.00 0.00 175.02 175.66 2dm2 s LYS 14 N 2.03 2.18 0.29 4.11 3.01 -1.26 -3.80 119.74 126.29 2dm2 s LYS 14 Ca 0.02 1.65 -0.29 0.00 -1.01 0.00 0.00 55.97 56.34 2dm2 s LYS 14 Cb -0.16 -1.85 -0.10 0.00 -1.01 0.00 0.00 37.83 34.71 2dm2 s LYS 14 CO -0.13 -1.78 1.25 -0.51 0.51 0.00 0.00 175.35 174.69 2dm2 s LEU 15 N -5.24 4.46 0.48 3.17 1.43 -1.26 -4.96 118.68 116.76 2dm2 s LEU 15 Ca 0.72 2.51 0.08 0.00 -1.03 0.00 0.00 54.13 56.41 2dm2 s LEU 15 Cb -0.26 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.35 2dm2 s LEU 15 CO 0.46 -0.42 0.61 -0.75 0.23 0.00 0.00 176.35 176.48 2dm2 s LYS 16 N -1.35 2.59 -0.12 1.70 2.20 -1.26 -4.90 119.74 118.59 2dm2 s LYS 16 Ca 0.49 -1.46 -0.06 0.00 -0.36 0.00 0.00 55.97 54.59 2dm2 s LYS 16 Cb -0.37 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2dm2 s LYS 16 CO 0.46 -0.47 0.10 -1.01 -0.36 0.00 0.00 175.35 174.07 2dm2 s HIS 17 N -2.49 3.45 0.03 4.03 3.76 -1.26 -4.52 115.29 118.28 2dm2 s HIS 17 Ca 0.55 0.39 0.04 0.00 -0.15 0.00 0.00 55.06 55.89 2dm2 s HIS 17 Cb -0.07 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.67 2dm2 s HIS 17 CO 0.34 0.59 -0.11 0.71 -0.85 0.00 0.00 174.74 175.41 2dm2 s TYR 18 N -0.76 1.00 -0.08 1.40 2.02 -1.25 -5.09 117.35 114.60 2dm2 s TYR 18 Ca 0.13 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2dm2 s TYR 18 Cb -0.12 -0.60 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 2dm2 s TYR 18 CO 0.03 0.00 -0.13 0.21 -1.57 0.00 0.00 175.55 174.09 2dm2 s LYS 19 N -1.04 1.90 0.34 -0.62 2.20 -1.26 -3.05 119.74 118.22 2dm2 s LYS 19 Ca -0.00 -0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 55.14 2dm2 s LYS 19 Cb -0.07 -1.60 -0.00 0.00 -1.51 0.00 0.00 37.83 34.65 2dm2 s LYS 19 CO 0.01 -0.01 0.44 0.96 -0.36 0.00 0.00 175.35 176.39 2dm2 s ILE 20 N 0.81 0.00 -0.02 5.43 -4.36 -0.95 -5.02 121.20 117.10 2dm2 s ILE 20 Ca -0.11 -1.68 -0.02 0.00 -0.26 0.00 0.00 60.65 58.58 2dm2 s ILE 20 Cb -0.15 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 2dm2 s ILE 20 CO 0.02 0.00 0.11 -0.36 0.24 0.00 0.00 174.94 174.95 2dm2 s PHE 21 N -3.10 3.39 -0.29 1.37 0.08 -1.26 -3.38 117.98 114.80 2dm2 s PHE 21 Ca 0.33 0.29 -0.43 0.00 0.12 0.00 0.00 56.93 57.23 2dm2 s PHE 21 Cb 0.00 -1.79 -0.19 0.00 -0.57 0.00 0.00 43.02 40.47 2dm2 s PHE 21 CO 0.22 0.60 1.47 -1.91 -0.10 0.00 0.00 175.22 175.50 2dm2 n GLU 22 N 1.26 0.31 0.00 0.44 2.13 -0.68 -0.37 120.64 123.73 2dm2 n GLU 22 Ca -0.13 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2dm2 n GLU 22 Cb 0.53 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.58 2dm2 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm2 n GLY 23 N 3.29 2.75 3.77 8.31 0.00 0.09 -4.59 105.19 118.80 2dm2 n GLY 23 Ca 0.26 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 2dm2 n GLY 23 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dm2 s MET 24 N 0.00 4.01 0.65 1.61 -1.94 0.50 -4.20 119.30 119.94 2dm2 s MET 24 Ca 0.00 2.26 -0.15 0.00 -1.71 0.00 0.00 55.69 56.08 2dm2 s MET 24 Cb 0.00 -2.82 -0.00 0.00 2.01 0.00 0.00 34.83 34.01 2dm2 s MET 24 CO 0.00 -0.49 1.11 -1.25 -0.01 0.00 0.00 175.02 174.38 2dm2 s PRO 25 N -2.17 2.84 0.05 2.03 0.04 -1.26 -4.00 135.00 132.53 2dm2 s PRO 25 Ca 0.55 1.40 0.02 0.00 0.04 0.00 0.00 61.00 63.01 2dm2 s PRO 25 Cb -0.40 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 2dm2 s PRO 25 CO 0.52 -1.22 -0.06 0.54 0.04 0.00 0.00 177.00 176.82 2dm2 s VAL 26 N -2.30 0.48 -0.00 -0.36 0.11 -0.80 -4.99 120.40 112.53 2dm2 s VAL 26 Ca 0.67 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2dm2 s VAL 26 Cb -0.21 -0.85 -0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2dm2 s VAL 26 CO 0.41 -0.55 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.69 2dm2 s THR 27 N -2.06 0.31 -0.25 5.04 2.01 -1.26 -1.39 115.64 118.04 2dm2 s THR 27 Ca -0.05 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 2dm2 s THR 27 Cb -0.05 -0.27 0.08 0.00 0.01 0.00 0.00 72.50 72.26 2dm2 s THR 27 CO -0.02 0.09 0.05 -0.36 -0.69 0.00 0.00 174.62 173.69 2dm2 s PHE 28 N -0.10 1.42 -0.11 4.92 0.08 0.14 -4.99 117.98 119.35 2dm2 s PHE 28 Ca 0.01 -1.30 -0.07 0.00 0.12 0.00 0.00 56.93 55.69 2dm2 s PHE 28 Cb -0.02 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 2dm2 s PHE 28 CO -0.00 -0.74 0.15 0.99 -0.10 0.00 0.00 175.22 175.52 2dm2 s THR 29 N 1.72 5.48 -0.21 0.64 2.01 -1.26 -0.52 115.64 123.50 2dm2 s THR 29 Ca 0.03 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.08 2dm2 s THR 29 Cb -0.17 -3.42 0.06 0.00 0.01 0.00 0.00 72.50 68.98 2dm2 s THR 29 CO -0.16 0.61 0.56 0.00 -0.69 0.00 0.00 174.62 174.94 2dm2 s ARG 31 N 0.44 4.05 -0.07 0.00 0.52 -1.25 -3.09 118.95 119.55 2dm2 s ARG 31 Ca -0.01 -0.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.99 2dm2 s ARG 31 Cb -0.04 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2dm2 s ARG 31 CO -0.01 -0.00 -0.21 0.08 0.02 0.00 0.00 175.30 175.18 2dm2 s VAL 32 N 1.23 2.44 0.51 3.52 1.01 -1.26 -1.42 120.40 126.43 2dm2 s VAL 32 Ca 0.08 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2dm2 s VAL 32 Cb -0.14 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.33 2dm2 s VAL 32 CO 0.06 0.57 0.35 0.00 0.00 0.00 0.00 175.10 176.08 2dm2 s ALA 33 N -0.17 4.27 0.00 5.51 0.00 -0.72 -4.93 121.76 125.72 2dm2 s ALA 33 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2dm2 s ALA 33 Cb -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2dm2 s ALA 33 CO 0.04 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2dm2 n GLY 34 N -1.65 3.92 2.85 0.00 0.00 -1.26 -3.51 105.19 105.54 2dm2 n GLY 34 Ca -0.02 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 2dm2 n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dm2 s ASN 35 N 0.00 1.38 1.12 1.61 3.84 -1.21 -3.20 114.94 118.48 2dm2 s ASN 35 Ca 0.00 -0.14 -0.16 0.00 0.21 0.00 0.00 52.86 52.77 2dm2 s ASN 35 Cb 0.00 -0.51 0.25 0.00 -0.55 0.00 0.00 41.25 40.44 2dm2 s ASN 35 CO 0.00 -0.11 1.10 -2.16 -2.79 0.00 0.00 177.10 173.14 2dm2 s PRO 36 N 1.42 -0.58 -0.07 0.43 0.04 -1.26 -4.90 135.00 130.09 2dm2 s PRO 36 Ca -0.03 0.16 -0.32 0.00 0.04 0.00 0.00 61.00 60.85 2dm2 s PRO 36 Cb -0.13 -1.65 -0.10 0.00 0.04 0.00 0.00 34.50 32.65 2dm2 s PRO 36 CO -0.03 -3.33 1.95 1.17 0.04 0.00 0.00 177.00 176.80 2dm2 n LYS 37 N -4.53 2.35 -2.26 4.56 3.00 -1.19 -4.93 118.16 115.15 2dm2 n LYS 37 Ca 0.10 0.85 -0.35 0.00 -0.00 0.00 0.00 58.31 58.90 2dm2 n LYS 37 Cb 0.59 -2.80 0.00 0.00 0.00 0.00 0.00 35.03 32.81 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2dm2 s PRO 38 N 4.47 3.37 -0.13 1.64 0.04 -1.26 -4.96 135.00 138.17 2dm2 s PRO 38 Ca 0.93 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2dm2 s PRO 38 Cb -0.59 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 2dm2 s PRO 38 CO 0.47 -0.83 1.47 0.15 0.04 0.00 0.00 177.00 178.30 2dm2 s LYS 39 N -3.27 4.14 0.27 4.56 1.02 -1.01 -4.71 119.74 120.75 2dm2 s LYS 39 Ca 0.72 1.87 -0.20 0.00 0.02 0.00 0.00 55.97 58.38 2dm2 s LYS 39 Cb -0.24 -3.90 -0.09 0.00 -0.52 0.00 0.00 37.83 33.09 2dm2 s LYS 39 CO 0.27 -0.86 0.78 0.42 -0.92 0.00 0.00 175.35 175.04 2dm2 s ILE 40 N 3.98 4.52 -0.12 2.17 -1.09 -1.26 -2.71 121.20 126.69 2dm2 s ILE 40 Ca 0.65 1.32 -0.05 0.00 -2.23 0.00 0.00 60.65 60.34 2dm2 s ILE 40 Cb -0.27 -3.82 0.05 0.00 -1.58 0.00 0.00 42.46 36.84 2dm2 s ILE 40 CO 0.23 0.09 0.26 -0.31 -1.23 0.00 0.00 174.94 173.98 2dm2 s TYR 41 N -1.66 -0.37 -0.22 3.97 2.02 -1.14 -5.03 117.35 114.92 2dm2 s TYR 41 Ca 0.47 0.87 -0.11 0.00 -0.37 0.00 0.00 57.07 57.94 2dm2 s TYR 41 Cb -0.15 0.04 -0.05 0.00 -0.40 0.00 0.00 41.96 41.40 2dm2 s TYR 41 CO 0.20 -0.27 0.17 -1.58 -1.57 0.00 0.00 175.55 172.50 2dm2 s TRP 42 N 1.59 3.37 -0.03 2.71 0.52 -1.26 -2.62 118.94 123.22 2dm2 s TRP 42 Ca -0.06 0.32 0.05 0.00 0.02 0.00 0.00 56.10 56.42 2dm2 s TRP 42 Cb -0.11 -2.25 -0.01 0.00 -1.15 0.00 0.00 33.47 29.96 2dm2 s TRP 42 CO -0.09 0.17 -0.17 -0.06 0.02 0.00 0.00 176.95 176.82 2dm2 s PHE 43 N 0.74 1.60 -0.30 -1.98 0.08 -0.85 -1.76 117.98 115.51 2dm2 s PHE 43 Ca 0.09 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2dm2 s PHE 43 Cb -0.13 -1.05 0.07 0.00 -0.57 0.00 0.00 43.02 41.35 2dm2 s PHE 43 CO 0.02 -0.09 -0.02 0.15 -0.10 0.00 0.00 175.22 175.18 2dm2 s LYS 44 N -0.18 2.02 -1.67 0.44 1.02 -1.12 -1.19 119.74 119.06 2dm2 s LYS 44 Ca 0.02 -1.54 -0.19 0.00 0.02 0.00 0.00 55.97 54.28 2dm2 s LYS 44 Cb -0.09 -3.10 0.19 0.00 -0.52 0.00 0.00 37.83 34.32 2dm2 s LYS 44 CO 0.01 -0.73 0.49 -3.47 -0.92 0.00 0.00 175.35 170.72 2dm2 n ASP 45 N 4.42 -1.40 -0.07 2.83 2.03 -0.70 0.13 116.55 123.80 2dm2 n ASP 45 Ca -0.07 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.11 2dm2 n ASP 45 Cb 0.42 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dm2 n GLY 46 N -1.14 0.93 2.71 0.27 0.00 -1.26 -5.04 105.19 101.66 2dm2 n GLY 46 Ca 0.07 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 2dm2 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s LYS 47 N -3.07 1.87 0.15 1.61 -0.14 0.36 -5.10 119.74 115.42 2dm2 s LYS 47 Ca 0.00 -2.86 -0.33 0.00 -1.36 0.00 0.00 55.97 51.42 2dm2 s LYS 47 Cb 0.00 -2.67 -0.17 0.00 -1.68 0.00 0.00 37.83 33.30 2dm2 s LYS 47 CO 0.00 -1.32 0.91 0.94 -0.76 0.00 0.00 175.35 175.12 2dm2 n GLN 48 N 2.33 0.49 -4.66 1.68 7.27 -1.26 -2.81 117.38 120.42 2dm2 n GLN 48 Ca 0.23 0.17 -0.33 0.00 0.07 0.00 0.00 57.00 57.14 2dm2 n GLN 48 Cb 0.40 -1.49 -0.13 0.00 2.41 0.00 0.00 30.24 31.42 2dm2 n GLN 48 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2dm2 s ILE 49 N -0.48 3.36 0.26 1.69 1.01 -0.72 -4.92 121.20 121.39 2dm2 s ILE 49 Ca 0.74 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 60.56 2dm2 s ILE 49 Cb -0.97 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 2dm2 s ILE 49 CO 0.55 0.52 0.90 -0.55 0.00 0.00 0.00 174.94 176.36 2dm2 s SER 50 N 0.21 7.45 0.35 3.58 0.15 -1.26 -4.59 113.70 119.59 2dm2 s SER 50 Ca -0.06 1.82 0.14 0.00 0.70 0.00 0.00 55.95 58.55 2dm2 s SER 50 Cb -0.15 -2.57 0.65 0.00 -1.71 0.00 0.00 66.02 62.24 2dm2 s SER 50 CO 0.04 0.08 1.76 1.55 1.20 0.00 0.00 173.24 177.87 2dm2 h PRO 51 N 3.77 0.00 -1.19 5.44 0.13 -1.99 -2.99 132.00 135.17 2dm2 h PRO 51 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 2dm2 h PRO 51 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2dm2 h PRO 51 CO 0.66 0.43 0.37 1.63 -0.23 0.00 0.00 178.00 180.86 2dm2 n LYS 52 N -3.86 1.70 -3.36 0.86 5.02 -1.26 -4.71 118.16 112.54 2dm2 n LYS 52 Ca -0.01 -1.53 -0.38 0.00 -2.02 0.00 0.00 58.31 54.36 2dm2 n LYS 52 Cb 0.48 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 2dm2 n LYS 52 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dm2 s SER 53 N -0.04 6.72 0.11 4.39 0.15 -1.13 -4.98 113.70 118.91 2dm2 s SER 53 Ca 0.30 0.85 -0.13 0.00 0.70 0.00 0.00 55.95 57.67 2dm2 s SER 53 Cb 0.24 -2.28 -0.11 0.00 -1.71 0.00 0.00 66.02 62.16 2dm2 s SER 53 CO 0.03 0.08 1.37 -0.78 1.20 0.00 0.00 173.24 175.14 2dm2 h ASP 54 N 6.21 0.94 0.46 5.45 1.82 -1.91 -3.30 116.42 126.09 2dm2 h ASP 54 Ca -0.43 -0.56 -0.02 0.00 -0.39 0.00 0.00 57.03 55.63 2dm2 h ASP 54 Cb 1.19 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.92 2dm2 h ASP 54 CO 0.72 1.33 -0.24 -0.74 -1.61 0.00 0.00 179.24 178.70 2dm2 h HIS 55 N 0.60 -0.64 -3.12 0.28 2.76 -1.97 -3.42 115.15 109.64 2dm2 h HIS 55 Ca -0.00 -0.01 -0.59 0.00 -2.20 0.00 0.00 60.37 57.56 2dm2 h HIS 55 Cb 1.21 0.22 -0.05 0.00 1.55 0.00 0.00 27.41 30.34 2dm2 h HIS 55 CO 0.08 -0.39 -0.20 0.71 -1.30 0.00 0.00 177.93 176.84 2dm2 s TYR 56 N -6.09 3.64 -0.25 5.26 2.02 -1.24 -4.20 117.35 116.49 2dm2 s TYR 56 Ca -0.16 0.92 0.02 0.00 -0.37 0.00 0.00 57.07 57.48 2dm2 s TYR 56 Cb 0.04 -2.25 0.06 0.00 -0.40 0.00 0.00 41.96 39.42 2dm2 s TYR 56 CO 0.63 0.54 -0.09 0.99 -1.57 0.00 0.00 175.55 176.06 2dm2 s THR 57 N -1.30 1.96 -0.36 -0.71 2.01 -0.89 -4.45 115.64 111.89 2dm2 s THR 57 Ca 0.31 -1.51 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 2dm2 s THR 57 Cb -0.15 -2.12 0.07 0.00 0.01 0.00 0.00 72.50 70.30 2dm2 s THR 57 CO 0.17 -0.06 0.14 -0.63 -0.69 0.00 0.00 174.62 173.55 2dm2 s ILE 58 N 1.20 3.59 0.07 1.82 1.01 -1.26 -2.08 121.20 125.55 2dm2 s ILE 58 Ca -0.08 -1.46 -0.08 0.00 0.00 0.00 0.00 60.65 59.04 2dm2 s ILE 58 Cb -0.20 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 2dm2 s ILE 58 CO -0.05 -0.35 0.15 -1.10 0.00 0.00 0.00 174.94 173.59 2dm2 s GLN 59 N 1.31 0.76 0.09 2.79 -0.21 -1.18 -5.01 119.66 118.22 2dm2 s GLN 59 Ca 0.01 -0.91 0.02 0.00 0.02 0.00 0.00 55.36 54.50 2dm2 s GLN 59 Cb -0.21 0.30 -0.04 0.00 1.00 0.00 0.00 33.01 34.06 2dm2 s GLN 59 CO 0.00 -0.22 0.15 -0.98 -2.12 0.00 0.00 175.29 172.12 2dm2 s ARG 60 N -3.49 3.13 0.79 2.91 1.70 -1.26 -2.36 118.95 120.37 2dm2 s ARG 60 Ca 0.02 -0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 54.55 2dm2 s ARG 60 Cb 0.04 -2.85 0.07 0.00 -0.57 0.00 0.00 34.95 31.63 2dm2 s ARG 60 CO -0.09 0.56 1.09 0.16 -1.08 0.00 0.00 175.30 175.94 2dm2 s ASP 61 N -2.62 4.49 0.53 -2.89 -4.77 -1.13 -4.74 116.67 105.55 2dm2 s ASP 61 Ca 0.32 1.45 0.43 0.00 -3.30 0.00 0.00 52.55 51.45 2dm2 s ASP 61 Cb -0.12 -2.20 1.63 0.00 -1.09 0.00 0.00 42.92 41.13 2dm2 s ASP 61 CO 0.25 -1.99 1.66 -0.07 0.70 0.00 0.00 175.17 175.72 2dm2 h LEU 62 N -1.10 0.04 0.01 2.11 3.38 -1.99 1.82 115.31 119.58 2dm2 h LEU 62 Ca -0.46 0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.28 2dm2 h LEU 62 Cb 1.26 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2dm2 h LEU 62 CO 0.57 -0.02 -1.28 0.44 0.09 0.00 0.00 178.44 178.24 2dm2 h ASP 63 N 0.02 0.05 0.00 -0.43 5.19 -2.05 -3.48 116.42 115.72 2dm2 h ASP 63 Ca 0.80 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 57.14 2dm2 h ASP 63 Cb 3.09 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 42.59 2dm2 h ASP 63 CO -0.07 1.05 0.00 0.61 -3.12 0.00 0.00 179.24 177.71 2dm2 n GLY 64 N 1.45 0.78 3.15 2.75 0.00 0.62 -5.11 105.19 108.83 2dm2 n GLY 64 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2dm2 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dm2 s THR 65 N -0.48 3.12 0.21 2.61 2.01 -1.25 -4.77 115.64 117.10 2dm2 s THR 65 Ca 0.00 -1.67 -0.32 0.00 0.31 0.00 0.00 61.69 60.01 2dm2 s THR 65 Cb 0.00 -2.95 -0.15 0.00 0.01 0.00 0.00 72.50 69.41 2dm2 s THR 65 CO 0.00 -0.36 1.21 0.00 -0.69 0.00 0.00 174.62 174.78 2dm2 s SER 67 N -0.01 -0.70 0.05 0.00 1.04 -1.00 -1.71 113.70 111.38 2dm2 s SER 67 Ca 0.69 1.18 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2dm2 s SER 67 Cb -0.77 1.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 2dm2 s SER 67 CO 0.53 -0.21 0.17 -0.22 0.98 0.00 0.00 173.24 174.49 2dm2 s LEU 68 N 1.29 4.23 -0.00 2.42 2.96 0.32 -3.08 118.68 126.82 2dm2 s LEU 68 Ca -0.08 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2dm2 s LEU 68 Cb -0.06 -2.79 -0.00 0.00 0.50 0.00 0.00 46.19 43.84 2dm2 s LEU 68 CO -0.13 0.19 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.79 2dm2 s HIS 69 N -1.45 0.16 -0.30 5.38 5.65 -0.88 -0.68 115.29 123.17 2dm2 s HIS 69 Ca 0.32 -0.03 0.00 0.00 0.25 0.00 0.00 55.06 55.61 2dm2 s HIS 69 Cb -0.13 -0.10 0.09 0.00 -1.18 0.00 0.00 32.58 31.26 2dm2 s HIS 69 CO 0.25 -0.00 0.07 0.99 -0.65 0.00 0.00 174.74 175.39 2dm2 s THR 70 N -0.02 1.17 0.31 0.89 2.01 -0.49 -2.09 115.64 117.43 2dm2 s THR 70 Ca 0.00 -1.49 -0.00 0.00 0.31 0.00 0.00 61.69 60.51 2dm2 s THR 70 Cb -0.01 -1.82 0.23 0.00 0.01 0.00 0.00 72.50 70.91 2dm2 s THR 70 CO -0.00 -0.57 1.94 0.00 -0.69 0.00 0.00 174.62 175.30 2dm2 h THR 71 N 6.53 1.20 -3.18 -0.82 1.03 -1.85 -2.14 112.91 113.67 2dm2 h THR 71 Ca -0.12 -0.48 -0.61 0.00 -0.01 0.00 0.00 66.41 65.18 2dm2 h THR 71 Cb 1.03 0.29 -0.36 0.00 -1.07 0.00 0.00 68.15 68.04 2dm2 h THR 71 CO 0.47 0.22 -0.83 0.00 -0.01 0.00 0.00 175.52 175.36 2dm2 s ALA 72 N -5.63 1.93 -0.17 0.00 0.00 -1.26 -4.07 121.76 112.55 2dm2 s ALA 72 Ca -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2dm2 s ALA 72 Cb 0.17 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 2dm2 s ALA 72 CO 0.78 -0.48 -0.03 -1.54 0.00 0.00 0.00 175.76 174.50 2dm2 s SER 73 N 1.45 4.79 0.48 0.00 1.04 -1.26 -4.95 113.70 115.25 2dm2 s SER 73 Ca 0.04 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.32 2dm2 s SER 73 Cb -0.14 -1.79 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 2dm2 s SER 73 CO -0.10 0.13 0.04 0.42 0.98 0.00 0.00 173.24 174.71 2dm2 s THR 74 N 0.59 0.96 0.20 2.02 -4.23 -1.26 -0.73 115.64 113.18 2dm2 s THR 74 Ca -0.02 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 2dm2 s THR 74 Cb -0.14 -2.19 0.07 0.00 1.34 0.00 0.00 72.50 71.58 2dm2 s THR 74 CO 0.02 0.00 1.66 -0.07 -0.54 0.00 0.00 174.62 175.69 2dm2 h LEU 75 N 1.47 0.99 -0.72 4.79 4.07 -1.96 -2.15 115.31 121.79 2dm2 h LEU 75 Ca -0.41 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.26 2dm2 h LEU 75 Cb 1.30 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2dm2 h LEU 75 CO 0.68 1.06 0.00 0.47 -1.08 0.00 0.00 178.44 179.57 2dm2 n ASP 76 N -4.17 0.58 0.03 -0.43 8.00 -1.26 -2.17 116.55 117.13 2dm2 n ASP 76 Ca 0.03 0.66 -0.10 0.00 0.71 0.00 0.00 54.79 56.09 2dm2 n ASP 76 Cb 0.35 -0.78 -0.13 0.00 -0.02 0.00 0.00 41.12 40.54 2dm2 n ASP 76 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2dm2 h ASP 77 N 0.00 0.10 -4.27 -2.24 5.19 -1.79 -3.47 116.42 109.94 2dm2 h ASP 77 Ca 0.00 -0.13 -0.52 0.00 -0.62 0.00 0.00 57.03 55.76 2dm2 h ASP 77 Cb 0.30 -0.03 0.17 0.00 0.18 0.00 0.00 39.33 39.95 2dm2 h ASP 77 CO 0.00 1.11 0.26 1.51 -3.12 0.00 0.00 179.24 179.00 2dm2 s ASP 78 N -6.57 3.46 0.00 6.45 -4.77 -0.92 -4.85 116.67 109.47 2dm2 s ASP 78 Ca -0.03 2.05 0.00 0.00 -3.30 0.00 0.00 52.55 51.26 2dm2 s ASP 78 Cb 0.09 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 2dm2 s ASP 78 CO 0.83 -2.74 0.00 0.61 0.70 0.00 0.00 175.17 174.57 2dm2 n GLY 79 N -0.31 0.31 2.73 2.12 0.00 -1.25 -5.00 105.19 103.80 2dm2 n GLY 79 Ca 0.11 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 2dm2 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s ASN 80 N -4.00 2.11 0.15 1.61 4.22 -1.26 -3.38 114.94 114.38 2dm2 s ASN 80 Ca 0.00 -0.40 -0.16 0.00 -2.14 0.00 0.00 52.86 50.17 2dm2 s ASN 80 Cb 0.00 -0.44 -0.07 0.00 1.28 0.00 0.00 41.25 42.02 2dm2 s ASN 80 CO 0.00 -0.26 0.58 -0.31 -2.04 0.00 0.00 177.10 175.07 2dm2 s TYR 81 N 1.97 3.63 -0.13 1.54 1.51 -0.83 -1.72 117.35 123.33 2dm2 s TYR 81 Ca 0.03 1.13 -0.04 0.00 -1.01 0.00 0.00 57.07 57.18 2dm2 s TYR 81 Cb -0.14 -2.42 0.06 0.00 -0.11 0.00 0.00 41.96 39.35 2dm2 s TYR 81 CO -0.07 0.43 0.16 0.99 -1.11 0.00 0.00 175.55 175.95 2dm2 s THR 82 N -1.44 -0.24 -0.34 -0.71 2.01 -0.34 0.43 115.64 115.02 2dm2 s THR 82 Ca 0.38 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.43 2dm2 s THR 82 Cb -0.16 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 71.93 2dm2 s THR 82 CO 0.19 -0.01 0.17 -0.51 -0.69 0.00 0.00 174.62 173.78 2dm2 s ILE 83 N 2.27 4.56 -0.14 1.82 2.07 -1.18 -2.00 121.20 128.60 2dm2 s ILE 83 Ca 0.04 -0.63 -0.06 0.00 -1.41 0.00 0.00 60.65 58.60 2dm2 s ILE 83 Cb -0.14 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 2dm2 s ILE 83 CO -0.08 -0.06 0.06 -0.32 -1.91 0.00 0.00 174.94 172.63 2dm2 s MET 84 N 1.58 3.58 -0.00 3.50 -2.45 -1.08 -2.10 119.30 122.34 2dm2 s MET 84 Ca 0.03 -0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.18 2dm2 s MET 84 Cb -0.18 -3.09 -0.03 0.00 1.25 0.00 0.00 34.83 32.77 2dm2 s MET 84 CO 0.06 0.51 -0.04 0.00 1.05 0.00 0.00 175.02 176.60 2dm2 s ALA 85 N -0.29 3.13 -0.14 4.11 0.00 -0.07 -2.90 121.76 125.60 2dm2 s ALA 85 Ca 0.08 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 2dm2 s ALA 85 Cb -0.12 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 2dm2 s ALA 85 CO 0.02 0.63 -0.13 0.00 0.00 0.00 0.00 175.76 176.27 2dm2 s ALA 86 N -1.03 2.61 -0.06 0.00 0.00 -1.10 -3.05 121.76 119.13 2dm2 s ALA 86 Ca 0.18 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 2dm2 s ALA 86 Cb -0.11 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2dm2 s ALA 86 CO 0.08 0.13 0.24 1.21 0.00 0.00 0.00 175.76 177.43 2dm2 s ASN 87 N 0.55 -0.20 0.00 0.00 2.47 -1.18 -2.40 114.94 114.17 2dm2 s ASN 87 Ca -0.08 0.30 0.08 0.00 0.42 0.00 0.00 52.86 53.58 2dm2 s ASN 87 Cb -0.16 0.43 0.49 0.00 -1.45 0.00 0.00 41.25 40.56 2dm2 s ASN 87 CO 0.04 -0.21 0.94 -0.81 -3.72 0.00 0.00 177.10 173.34 2dm2 n PRO 88 N 2.36 0.49 0.00 0.43 -0.04 -1.26 -1.84 135.00 135.14 2dm2 n PRO 88 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2dm2 n PRO 88 Cb 0.57 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2dm2 n PRO 88 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dm2 n GLN 89 N -0.76 0.69 0.00 0.54 6.02 -1.26 -5.09 117.38 117.51 2dm2 n GLN 89 Ca 0.06 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2dm2 n GLN 89 Cb 0.03 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.59 2dm2 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dm2 n GLY 90 N 0.17 4.13 3.28 1.08 0.00 -0.76 -4.22 105.19 108.87 2dm2 n GLY 90 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 2dm2 n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dm2 s ARG 91 N -2.79 1.88 0.34 1.61 1.70 -1.26 -3.13 118.95 117.30 2dm2 s ARG 91 Ca 0.00 -0.89 0.05 0.00 -0.47 0.00 0.00 55.73 54.42 2dm2 s ARG 91 Cb 0.00 -1.86 -0.07 0.00 -0.57 0.00 0.00 34.95 32.45 2dm2 s ARG 91 CO 0.00 0.51 0.03 0.96 -1.08 0.00 0.00 175.30 175.72 2dm2 s ILE 92 N -0.61 1.43 0.08 4.99 -4.36 -1.17 -4.98 121.20 116.59 2dm2 s ILE 92 Ca 0.09 -2.02 -0.08 0.00 -0.26 0.00 0.00 60.65 58.39 2dm2 s ILE 92 Cb -0.09 -2.79 -0.01 0.00 1.25 0.00 0.00 42.46 40.82 2dm2 s ILE 92 CO -0.00 -0.05 0.17 -0.94 0.24 0.00 0.00 174.94 174.35 2dm2 s SER 93 N -3.53 0.16 0.21 4.36 1.04 -1.26 -0.89 113.70 113.79 2dm2 s SER 93 Ca 0.35 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 2dm2 s SER 93 Cb 0.08 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2dm2 s SER 93 CO 0.15 -0.72 0.12 0.00 0.98 0.00 0.00 173.24 173.78 2dm2 s THR 95 N -4.09 0.34 0.21 0.00 2.01 -1.26 -3.10 115.64 109.76 2dm2 s THR 95 Ca 0.38 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 2dm2 s THR 95 Cb 0.07 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 2dm2 s THR 95 CO 0.12 -0.44 0.31 -0.83 -0.69 0.00 0.00 174.62 173.08 2dm2 s GLY 96 N -1.54 0.84 0.03 4.40 0.00 0.17 -4.52 107.32 106.69 2dm2 s GLY 96 Ca -0.13 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2dm2 s GLY 96 CO -0.00 -0.95 -0.06 -1.60 0.00 0.00 0.00 173.10 170.49 2dm2 s ARG 97 N -4.06 0.43 -0.02 2.90 6.06 -1.26 -1.95 118.95 121.04 2dm2 s ARG 97 Ca 0.27 -0.62 0.00 0.00 -2.50 0.00 0.00 55.73 52.88 2dm2 s ARG 97 Cb 0.03 -0.17 0.02 0.00 0.06 0.00 0.00 34.95 34.89 2dm2 s ARG 97 CO 0.08 0.03 0.01 -0.51 -2.50 0.00 0.00 175.30 172.40 2dm2 s LEU 98 N -1.32 1.27 -0.26 -0.88 1.43 -1.22 -3.83 118.68 113.87 2dm2 s LEU 98 Ca -0.10 -0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2dm2 s LEU 98 Cb -0.09 -0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.00 2dm2 s LEU 98 CO -0.00 -0.09 -0.01 -0.04 0.23 0.00 0.00 176.35 176.44 2dm2 s MET 99 N 0.87 2.99 -0.09 1.70 -1.94 -1.17 -3.75 119.30 117.92 2dm2 s MET 99 Ca -0.08 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.05 2dm2 s MET 99 Cb -0.11 -3.12 -0.00 0.00 2.01 0.00 0.00 34.83 33.60 2dm2 s MET 99 CO -0.02 -0.39 -0.23 0.08 -0.01 0.00 0.00 175.02 174.45 2dm2 s VAL 100 N 1.40 2.14 -0.27 -6.03 1.01 -1.26 -2.23 120.40 115.16 2dm2 s VAL 100 Ca 0.02 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2dm2 s VAL 100 Cb -0.17 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2dm2 s VAL 100 CO -0.02 0.56 0.08 -1.10 0.00 0.00 0.00 175.10 174.62 2dm2 s GLN 101 N 0.17 3.41 -0.43 2.72 -1.52 -1.22 -4.86 119.66 117.93 2dm2 s GLN 101 Ca -0.13 -0.65 -0.41 0.00 -1.95 0.00 0.00 55.36 52.22 2dm2 s GLN 101 Cb -0.16 -3.37 -0.17 0.00 -0.22 0.00 0.00 33.01 29.09 2dm2 s GLN 101 CO 0.07 -0.31 2.03 0.00 -0.25 0.00 0.00 175.29 176.83 2dm2 n ALA 102 N 4.91 0.20 -2.43 6.09 0.00 -1.26 -1.68 120.51 126.34 2dm2 n ALA 102 Ca -0.15 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 2dm2 n ALA 102 Cb 0.50 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2dm2 n ALA 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dm2 n VAL 103 N 6.12 2.89 -4.24 0.00 0.31 -1.26 -4.90 118.33 117.24 2dm2 n VAL 103 Ca 0.44 -4.94 -0.13 0.00 -0.01 0.00 0.00 64.34 59.70 2dm2 n VAL 103 Cb 0.05 -1.29 -0.10 0.00 -0.91 0.00 0.00 33.84 31.59 2dm2 n VAL 103 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2dm2 s ASN 104 N -2.92 0.80 0.00 4.52 3.84 -1.26 -4.97 114.94 114.95 2dm2 s ASN 104 Ca 0.49 -1.30 0.00 0.00 0.21 0.00 0.00 52.86 52.25 2dm2 s ASN 104 Cb 0.38 0.23 0.00 0.00 -0.55 0.00 0.00 41.25 41.31 2dm2 s ASN 104 CO -0.23 -0.72 0.00 -0.24 -2.79 0.00 0.00 177.10 173.13 2dm2 n SER 105 N -0.30 1.54 0.00 -4.21 2.88 -1.26 -5.17 113.62 107.10 2dm2 n SER 105 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2dm2 n SER 105 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 2dm2 n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm2 n GLY 106 N 2.34 3.15 3.60 0.46 0.00 -1.26 -5.11 105.19 108.37 2dm2 n GLY 106 Ca 0.00 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2dm2 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm2 s PRO 107 N -2.61 -1.03 0.04 1.61 0.04 -1.26 -5.09 135.00 126.69 2dm2 s PRO 107 Ca 0.00 0.01 -0.00 0.00 0.04 0.00 0.00 61.00 61.04 2dm2 s PRO 107 Cb 0.00 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 2dm2 s PRO 107 CO 0.00 -3.60 -0.03 -1.54 0.04 0.00 0.00 177.00 171.87 2dm2 s SER 108 N -3.83 0.41 -0.25 6.66 1.04 -1.26 -5.07 113.70 111.40 2dm2 s SER 108 Ca 0.70 -0.77 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 2dm2 s SER 108 Cb -0.11 0.15 -0.17 0.00 0.10 0.00 0.00 66.02 65.99 2dm2 s SER 108 CO 0.56 -0.46 -0.19 -1.54 0.98 0.00 0.00 173.24 172.60 2dm2 n SER 109 N 0.79 1.99 -0.91 7.02 3.41 -1.26 -5.35 113.62 119.30 2dm2 n SER 109 Ca -0.19 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.47 2dm2 n SER 109 Cb 0.58 -0.49 0.10 0.00 -0.26 0.00 0.00 64.21 64.14 2dm2 n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49