#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 3.39 0.06 1.61 0.01 -1.26 -4.98 113.70 112.54 2dm2 s SER 2 Ca 0.00 1.49 -0.37 0.00 1.31 0.00 0.00 55.95 58.38 2dm2 s SER 2 Cb 0.00 -2.17 -0.20 0.00 0.21 0.00 0.00 66.02 63.86 2dm2 s SER 2 CO 0.00 -2.69 1.56 0.28 0.41 0.00 0.00 173.24 172.80 2dm2 h SER 3 N -1.59 -1.18 0.00 2.44 0.02 -2.12 -3.49 113.55 107.63 2dm2 h SER 3 Ca -0.50 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2dm2 h SER 3 Cb 1.29 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.15 2dm2 h SER 3 CO 0.54 -0.80 0.00 0.61 -1.14 0.00 0.00 176.83 176.04 2dm2 n GLY 4 N -1.66 2.11 3.21 -3.77 0.00 -1.26 -5.15 105.19 98.68 2dm2 n GLY 4 Ca -0.16 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 2dm2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm2 s SER 5 N 0.00 1.51 -0.69 1.61 1.04 -1.26 -5.11 113.70 110.80 2dm2 s SER 5 Ca 0.00 -0.98 0.02 0.00 0.48 0.00 0.00 55.95 55.47 2dm2 s SER 5 Cb 0.00 0.03 0.17 0.00 0.10 0.00 0.00 66.02 66.32 2dm2 s SER 5 CO 0.00 -0.37 0.49 -0.55 0.98 0.00 0.00 173.24 173.80 2dm2 s SER 6 N -3.01 5.06 0.00 7.02 0.15 -1.26 -4.74 113.70 116.93 2dm2 s SER 6 Ca 0.13 -3.42 0.00 0.00 0.70 0.00 0.00 55.95 53.36 2dm2 s SER 6 Cb 0.03 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2dm2 s SER 6 CO -0.01 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dm2 n GLY 7 N 2.63 0.01 3.72 9.45 0.00 -1.26 -5.11 105.19 114.63 2dm2 n GLY 7 Ca 0.14 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.00 1.80 0.38 4.61 0.00 -1.26 -4.10 121.76 122.18 2dm2 s ALA 8 Ca 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.93 2dm2 s ALA 8 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 2dm2 s ALA 8 CO 0.00 -2.21 1.20 -1.25 0.00 0.00 0.00 175.76 173.50 2dm2 s PRO 9 N -4.84 4.16 -0.14 0.00 0.04 -1.26 -4.45 135.00 128.51 2dm2 s PRO 9 Ca 0.63 1.93 -0.07 0.00 0.04 0.00 0.00 61.00 63.53 2dm2 s PRO 9 Cb -0.19 -2.81 0.05 0.00 0.04 0.00 0.00 34.50 31.60 2dm2 s PRO 9 CO 0.57 -0.26 0.32 -0.59 0.04 0.00 0.00 177.00 177.09 2dm2 s PHE 10 N -1.32 -0.47 -0.29 0.56 -0.12 -1.17 -4.76 117.98 110.41 2dm2 s PHE 10 Ca 0.54 1.04 -0.29 0.00 -0.05 0.00 0.00 56.93 58.17 2dm2 s PHE 10 Cb -0.33 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.19 2dm2 s PHE 10 CO 0.42 -0.30 1.69 -0.06 -0.05 0.00 0.00 175.22 176.92 2dm2 s PHE 11 N 1.43 1.98 0.05 3.49 0.08 -1.26 -1.84 117.98 121.91 2dm2 s PHE 11 Ca -0.09 0.58 -0.16 0.00 0.12 0.00 0.00 56.93 57.38 2dm2 s PHE 11 Cb -0.10 -4.09 -0.20 0.00 -0.57 0.00 0.00 43.02 38.06 2dm2 s PHE 11 CO -0.11 -2.88 1.20 0.93 -0.10 0.00 0.00 175.22 174.26 2dm2 h GLU 12 N 11.73 0.60 -4.03 0.44 3.07 -1.60 -3.41 114.58 121.38 2dm2 h GLU 12 Ca -0.33 -0.56 -0.64 0.00 -0.50 0.00 0.00 59.36 57.33 2dm2 h GLU 12 Cb 1.16 0.14 -0.40 0.00 -0.84 0.00 0.00 28.75 28.80 2dm2 h GLU 12 CO 1.02 1.18 -0.70 1.41 -1.40 0.00 0.00 179.01 180.52 2dm2 s MET 13 N -3.48 1.48 0.88 2.33 1.75 -1.23 -4.98 119.30 116.05 2dm2 s MET 13 Ca -0.12 -1.97 -0.12 0.00 -1.25 0.00 0.00 55.69 52.23 2dm2 s MET 13 Cb 0.06 -2.98 0.10 0.00 2.84 0.00 0.00 34.83 34.85 2dm2 s MET 13 CO 0.87 -1.01 1.01 1.63 -0.65 0.00 0.00 175.02 176.87 2dm2 n LYS 14 N 3.97 -0.20 -1.94 4.11 4.76 -1.26 -3.92 118.16 123.67 2dm2 n LYS 14 Ca 0.04 0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.14 2dm2 n LYS 14 Cb 0.39 -2.29 0.04 0.00 -1.84 0.00 0.00 35.03 31.33 2dm2 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dm2 s LEU 15 N -5.12 3.57 0.23 -0.35 1.43 -1.26 -4.92 118.68 112.26 2dm2 s LEU 15 Ca 0.67 2.22 0.09 0.00 -1.03 0.00 0.00 54.13 56.08 2dm2 s LEU 15 Cb -0.25 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.35 2dm2 s LEU 15 CO 0.57 -1.59 -0.02 -0.75 0.23 0.00 0.00 176.35 174.79 2dm2 s LYS 16 N -3.60 2.27 -0.21 1.70 2.20 -1.26 -5.02 119.74 115.82 2dm2 s LYS 16 Ca 0.73 -1.34 -0.21 0.00 -0.36 0.00 0.00 55.97 54.79 2dm2 s LYS 16 Cb -0.26 -2.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 2dm2 s LYS 16 CO 0.35 0.39 0.63 -1.01 -0.36 0.00 0.00 175.35 175.36 2dm2 s HIS 17 N -2.10 3.36 -0.13 4.03 3.76 -1.26 -4.76 115.29 118.17 2dm2 s HIS 17 Ca 0.29 0.91 0.01 0.00 -0.15 0.00 0.00 55.06 56.12 2dm2 s HIS 17 Cb -0.07 -2.81 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 2dm2 s HIS 17 CO 0.19 -0.21 -0.16 0.71 -0.85 0.00 0.00 174.74 174.41 2dm2 s TYR 18 N 2.04 2.74 -0.32 1.40 2.02 -1.26 -5.10 117.35 118.88 2dm2 s TYR 18 Ca 0.28 -0.91 -0.05 0.00 -0.37 0.00 0.00 57.07 56.02 2dm2 s TYR 18 Cb -0.16 -1.83 0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2dm2 s TYR 18 CO 0.10 -0.37 0.07 0.21 -1.57 0.00 0.00 175.55 173.99 2dm2 s LYS 19 N 0.55 2.71 0.40 -0.62 2.20 -1.26 -3.31 119.74 120.41 2dm2 s LYS 19 Ca -0.10 -1.11 0.04 0.00 -0.36 0.00 0.00 55.97 54.44 2dm2 s LYS 19 Cb -0.16 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2dm2 s LYS 19 CO 0.04 -0.59 0.14 0.96 -0.36 0.00 0.00 175.35 175.54 2dm2 s ILE 20 N 1.40 0.54 -0.06 5.43 -4.36 -1.06 -5.03 121.20 118.05 2dm2 s ILE 20 Ca -0.01 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.35 2dm2 s ILE 20 Cb -0.19 -2.36 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 2dm2 s ILE 20 CO 0.02 0.00 0.08 -0.36 0.24 0.00 0.00 174.94 174.92 2dm2 s PHE 21 N -3.24 3.36 -0.06 1.37 0.40 -1.26 -3.13 117.98 115.42 2dm2 s PHE 21 Ca 0.25 0.31 -0.32 0.00 -0.60 0.00 0.00 56.93 56.57 2dm2 s PHE 21 Cb 0.02 -1.82 -0.15 0.00 0.51 0.00 0.00 43.02 41.58 2dm2 s PHE 21 CO 0.16 0.59 0.89 -1.91 0.70 0.00 0.00 175.22 175.64 2dm2 n GLU 22 N 1.69 0.00 0.00 0.44 0.00 -0.30 -0.15 120.64 122.31 2dm2 n GLU 22 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 2dm2 n GLU 22 Cb 0.54 -1.15 0.00 0.00 0.00 0.00 0.00 31.44 30.82 2dm2 n GLU 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dm2 n GLY 23 N 1.46 3.09 3.70 8.31 0.00 0.56 -4.70 105.19 117.62 2dm2 n GLY 23 Ca 0.17 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2dm2 n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dm2 n MET 24 N 0.00 2.03 -1.37 1.61 2.81 0.79 -3.83 117.12 119.17 2dm2 n MET 24 Ca 0.00 0.72 -0.31 0.00 -1.81 0.00 0.00 57.70 56.29 2dm2 n MET 24 Cb 0.00 -2.37 0.08 0.00 -0.71 0.00 0.00 33.22 30.22 2dm2 n MET 24 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2dm2 s PRO 25 N -2.08 2.37 0.04 0.03 0.04 -1.26 -4.08 135.00 130.05 2dm2 s PRO 25 Ca 0.59 1.22 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 2dm2 s PRO 25 Cb -0.53 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2dm2 s PRO 25 CO 0.60 -1.56 -0.04 0.54 0.04 0.00 0.00 177.00 176.58 2dm2 s VAL 26 N -2.78 0.21 0.01 -0.36 0.11 -1.04 -4.99 120.40 111.56 2dm2 s VAL 26 Ca 0.62 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 2dm2 s VAL 26 Cb -0.18 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 2dm2 s VAL 26 CO 0.53 -0.67 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.70 2dm2 s THR 27 N -2.36 0.21 -0.26 5.04 2.01 -1.26 -1.78 115.64 117.24 2dm2 s THR 27 Ca -0.07 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2dm2 s THR 27 Cb -0.03 -0.23 0.08 0.00 0.01 0.00 0.00 72.50 72.32 2dm2 s THR 27 CO -0.04 -0.10 0.06 -0.36 -0.69 0.00 0.00 174.62 173.49 2dm2 s PHE 28 N -0.47 1.52 -0.20 4.92 0.08 -0.16 -4.98 117.98 118.70 2dm2 s PHE 28 Ca -0.03 -1.42 -0.07 0.00 0.12 0.00 0.00 56.93 55.53 2dm2 s PHE 28 Cb -0.04 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 2dm2 s PHE 28 CO -0.00 -0.77 0.06 0.99 -0.10 0.00 0.00 175.22 175.39 2dm2 s THR 29 N 1.68 4.58 -0.18 0.64 2.01 -1.26 -1.98 115.64 121.14 2dm2 s THR 29 Ca 0.04 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 2dm2 s THR 29 Cb -0.17 -3.08 0.07 0.00 0.01 0.00 0.00 72.50 69.32 2dm2 s THR 29 CO -0.17 0.42 0.41 0.00 -0.69 0.00 0.00 174.62 174.59 2dm2 s ARG 31 N 1.83 4.11 -0.12 0.00 3.52 -1.25 -3.25 118.95 123.79 2dm2 s ARG 31 Ca -0.07 0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.63 2dm2 s ARG 31 Cb -0.10 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 2dm2 s ARG 31 CO -0.13 -0.14 0.08 0.08 -0.81 0.00 0.00 175.30 174.38 2dm2 s VAL 32 N 1.63 4.97 0.39 7.11 1.01 -1.26 -1.41 120.40 132.84 2dm2 s VAL 32 Ca 0.17 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.24 2dm2 s VAL 32 Cb -0.15 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 2dm2 s VAL 32 CO 0.08 0.59 0.42 0.00 0.00 0.00 0.00 175.10 176.19 2dm2 s ALA 33 N -0.78 4.15 0.00 5.51 0.00 -0.76 -4.93 121.76 124.94 2dm2 s ALA 33 Ca 0.13 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2dm2 s ALA 33 Cb -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2dm2 s ALA 33 CO 0.03 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2dm2 n GLY 34 N -1.59 3.53 3.22 0.00 0.00 -1.26 -3.06 105.19 106.02 2dm2 n GLY 34 Ca 0.03 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.40 1.12 1.61 2.47 -1.26 -4.29 114.94 114.18 2dm2 s ASN 35 Ca 0.00 0.74 -0.10 0.00 0.42 0.00 0.00 52.86 53.93 2dm2 s ASN 35 Cb 0.00 0.68 0.14 0.00 -1.45 0.00 0.00 41.25 40.63 2dm2 s ASN 35 CO 0.00 -0.16 0.51 -0.81 -3.72 0.00 0.00 177.10 172.93 2dm2 n PRO 36 N 3.62 -2.02 -1.61 0.43 -0.04 -1.26 -4.87 135.00 129.25 2dm2 n PRO 36 Ca -0.19 -0.82 -0.48 0.00 -0.04 0.00 0.00 63.50 61.97 2dm2 n PRO 36 Cb 0.56 -0.77 -0.05 0.00 -0.04 0.00 0.00 33.50 33.20 2dm2 n PRO 36 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2dm2 n LYS 37 N -3.08 1.88 -1.88 0.54 3.00 -1.26 -4.93 118.16 112.43 2dm2 n LYS 37 Ca 0.07 0.62 -0.34 0.00 -0.00 0.00 0.00 58.31 58.67 2dm2 n LYS 37 Cb 0.28 -2.74 0.04 0.00 0.00 0.00 0.00 35.03 32.61 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 5.11 2.94 -0.39 1.64 0.04 -1.26 -4.96 135.00 138.12 2dm2 s PRO 38 Ca 0.99 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 63.18 2dm2 s PRO 38 Cb -0.65 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 31.93 2dm2 s PRO 38 CO 0.47 -1.15 1.39 0.15 0.04 0.00 0.00 177.00 177.90 2dm2 s LYS 39 N -3.90 3.65 0.12 4.56 1.02 -0.85 -4.73 119.74 119.61 2dm2 s LYS 39 Ca 0.68 1.00 -0.21 0.00 0.02 0.00 0.00 55.97 57.46 2dm2 s LYS 39 Cb -0.21 -4.00 -0.07 0.00 -0.52 0.00 0.00 37.83 33.03 2dm2 s LYS 39 CO 0.38 -1.47 0.66 0.42 -0.92 0.00 0.00 175.35 174.41 2dm2 s ILE 40 N 5.21 4.59 -0.11 2.17 -1.09 -1.26 -2.38 121.20 128.33 2dm2 s ILE 40 Ca 0.60 1.39 -0.04 0.00 -2.23 0.00 0.00 60.65 60.37 2dm2 s ILE 40 Cb -0.14 -3.98 0.06 0.00 -1.58 0.00 0.00 42.46 36.82 2dm2 s ILE 40 CO 0.31 0.50 0.23 -0.31 -1.23 0.00 0.00 174.94 174.44 2dm2 s TYR 41 N -1.18 -0.34 -0.23 3.97 2.02 -0.91 -4.99 117.35 115.70 2dm2 s TYR 41 Ca 0.33 0.83 -0.16 0.00 -0.37 0.00 0.00 57.07 57.71 2dm2 s TYR 41 Cb -0.20 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.23 2dm2 s TYR 41 CO 0.22 -0.31 0.40 -1.58 -1.57 0.00 0.00 175.55 172.71 2dm2 s TRP 42 N 2.20 3.32 0.02 2.71 0.52 -1.26 -1.87 118.94 124.59 2dm2 s TRP 42 Ca 0.00 0.55 0.04 0.00 0.02 0.00 0.00 56.10 56.72 2dm2 s TRP 42 Cb -0.12 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.61 2dm2 s TRP 42 CO -0.08 -0.10 -0.09 -0.06 0.02 0.00 0.00 176.95 176.65 2dm2 s PHE 43 N 1.63 2.82 -0.33 -1.98 0.08 -0.16 -2.93 117.98 117.12 2dm2 s PHE 43 Ca 0.18 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.16 2dm2 s PHE 43 Cb -0.15 -1.57 0.08 0.00 -0.57 0.00 0.00 43.02 40.82 2dm2 s PHE 43 CO 0.09 0.36 0.04 0.21 -0.10 0.00 0.00 175.22 175.81 2dm2 s LYS 44 N -1.53 1.92 -1.77 0.44 2.20 -0.04 -2.20 119.74 118.76 2dm2 s LYS 44 Ca 0.17 -1.64 -0.15 0.00 -0.36 0.00 0.00 55.97 53.99 2dm2 s LYS 44 Cb -0.11 -3.21 0.15 0.00 -1.51 0.00 0.00 37.83 33.16 2dm2 s LYS 44 CO 0.08 -0.83 0.40 -3.47 -0.36 0.00 0.00 175.35 171.17 2dm2 n ASP 45 N 4.42 -0.89 -0.19 1.43 2.03 -0.92 -0.00 116.55 122.43 2dm2 n ASP 45 Ca -0.04 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 54.01 2dm2 n ASP 45 Cb 0.42 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 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 -1.60 0.93 3.14 0.27 0.00 -1.26 -5.01 105.19 101.66 2dm2 n GLY 46 Ca -0.04 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.26 0.76 -0.23 1.61 -0.14 0.99 -5.14 119.74 114.33 2dm2 s LYS 47 Ca 0.00 -1.02 -0.14 0.00 -1.36 0.00 0.00 55.97 53.44 2dm2 s LYS 47 Cb 0.00 -0.50 -0.04 0.00 -1.68 0.00 0.00 37.83 35.61 2dm2 s LYS 47 CO 0.00 0.09 0.32 -1.14 -0.76 0.00 0.00 175.35 173.86 2dm2 s GLN 48 N -2.34 4.10 0.01 1.68 0.74 -1.26 -0.86 119.66 121.73 2dm2 s GLN 48 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.43 2dm2 s GLN 48 Cb -0.06 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 2dm2 s GLN 48 CO 0.00 -0.08 0.08 0.42 -0.55 0.00 0.00 175.29 175.16 2dm2 s ILE 49 N 1.46 4.68 0.03 -2.34 1.01 -1.15 -4.96 121.20 119.94 2dm2 s ILE 49 Ca 0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 2dm2 s ILE 49 Cb -0.15 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2dm2 s ILE 49 CO 0.08 0.31 0.26 -0.55 0.00 0.00 0.00 174.94 175.03 2dm2 s SER 50 N -1.86 6.45 0.50 3.58 0.15 -1.26 -4.76 113.70 116.50 2dm2 s SER 50 Ca 0.24 0.48 0.29 0.00 0.70 0.00 0.00 55.95 57.65 2dm2 s SER 50 Cb -0.12 -2.05 1.21 0.00 -1.71 0.00 0.00 66.02 63.34 2dm2 s SER 50 CO 0.15 0.21 1.94 1.55 1.20 0.00 0.00 173.24 178.30 2dm2 h PRO 51 N 3.65 0.00 -0.66 5.44 0.13 -1.94 -2.78 132.00 135.84 2dm2 h PRO 51 Ca -0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.37 2dm2 h PRO 51 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2dm2 h PRO 51 CO 0.69 0.12 0.27 1.63 -0.23 0.00 0.00 178.00 180.48 2dm2 n LYS 52 N -3.31 2.64 -2.51 0.86 5.02 -1.26 -3.98 118.16 115.63 2dm2 n LYS 52 Ca -0.00 -3.07 -0.43 0.00 -2.02 0.00 0.00 58.31 52.79 2dm2 n LYS 52 Cb 0.35 -2.05 -0.02 0.00 -0.02 0.00 0.00 35.03 33.28 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 -1.64 7.03 0.44 4.39 0.15 -1.05 -4.91 113.70 118.11 2dm2 s SER 53 Ca 0.51 1.63 0.17 0.00 0.70 0.00 0.00 55.95 58.96 2dm2 s SER 53 Cb 0.43 -2.54 1.10 0.00 -1.71 0.00 0.00 66.02 63.30 2dm2 s SER 53 CO 0.08 -0.68 1.93 0.44 1.20 0.00 0.00 173.24 176.22 2dm2 h ASP 54 N 7.78 0.34 0.37 5.45 3.32 -1.93 -2.81 116.42 128.94 2dm2 h ASP 54 Ca -0.27 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2dm2 h ASP 54 Cb 1.11 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2dm2 h ASP 54 CO 0.94 0.18 -0.18 -0.74 -1.72 0.00 0.00 179.24 177.72 2dm2 h HIS 55 N 0.36 -0.46 -3.51 4.55 2.76 -1.95 -3.44 115.15 113.46 2dm2 h HIS 55 Ca 0.35 -0.01 -0.61 0.00 -2.20 0.00 0.00 60.37 57.90 2dm2 h HIS 55 Cb 0.87 0.15 -0.13 0.00 1.55 0.00 0.00 27.41 29.85 2dm2 h HIS 55 CO -0.00 -0.29 -0.42 0.71 -1.30 0.00 0.00 177.93 176.63 2dm2 s TYR 56 N -3.26 3.35 -0.34 5.26 2.02 -1.06 -4.21 117.35 119.11 2dm2 s TYR 56 Ca -0.07 0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 2dm2 s TYR 56 Cb 0.01 -2.32 -0.00 0.00 -0.40 0.00 0.00 41.96 39.24 2dm2 s TYR 56 CO 0.22 0.08 0.21 0.99 -1.57 0.00 0.00 175.55 175.48 2dm2 s THR 57 N 1.02 4.94 -0.39 -0.71 2.01 -0.01 -3.82 115.64 118.68 2dm2 s THR 57 Ca 0.11 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.61 2dm2 s THR 57 Cb -0.13 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 68.86 2dm2 s THR 57 CO 0.05 -0.04 0.21 -0.63 -0.69 0.00 0.00 174.62 173.51 2dm2 s ILE 58 N 1.66 4.01 0.10 1.82 1.01 -1.26 -1.31 121.20 127.23 2dm2 s ILE 58 Ca 0.05 -1.37 0.02 0.00 0.00 0.00 0.00 60.65 59.35 2dm2 s ILE 58 Cb -0.18 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 2dm2 s ILE 58 CO 0.08 -0.42 0.23 -1.10 0.00 0.00 0.00 174.94 173.73 2dm2 s GLN 59 N 1.39 3.37 -0.18 2.79 -0.21 -0.98 -4.95 119.66 120.90 2dm2 s GLN 59 Ca 0.02 -0.55 -0.00 0.00 0.02 0.00 0.00 55.36 54.85 2dm2 s GLN 59 Cb -0.22 -2.96 0.05 0.00 1.00 0.00 0.00 33.01 30.87 2dm2 s GLN 59 CO 0.02 0.56 -0.05 0.50 -2.12 0.00 0.00 175.29 174.20 2dm2 s ARG 60 N -2.83 1.42 0.88 2.91 3.52 -1.26 -2.97 118.95 120.62 2dm2 s ARG 60 Ca 0.34 -0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 55.23 2dm2 s ARG 60 Cb -0.12 -2.13 0.12 0.00 -1.56 0.00 0.00 34.95 31.26 2dm2 s ARG 60 CO 0.27 -0.48 1.09 0.34 -0.81 0.00 0.00 175.30 175.72 2dm2 s ASP 61 N 1.60 3.67 0.53 -2.12 2.15 -1.04 -4.93 116.67 116.53 2dm2 s ASP 61 Ca -0.01 1.42 0.32 0.00 0.43 0.00 0.00 52.55 54.71 2dm2 s ASP 61 Cb -0.16 -2.11 1.30 0.00 -0.30 0.00 0.00 42.92 41.66 2dm2 s ASP 61 CO -0.07 -2.51 1.96 -0.07 -0.17 0.00 0.00 175.17 174.31 2dm2 h LEU 62 N -1.46 0.00 -0.08 -1.34 3.38 -2.00 -2.76 115.31 111.04 2dm2 h LEU 62 Ca -0.49 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.26 2dm2 h LEU 62 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2dm2 h LEU 62 CO 0.56 0.04 -1.01 0.44 0.09 0.00 0.00 178.44 178.57 2dm2 h ASP 63 N 0.00 0.16 0.00 -0.43 3.32 -2.05 -3.47 116.42 113.95 2dm2 h ASP 63 Ca -0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2dm2 h ASP 63 Cb 0.54 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2dm2 h ASP 63 CO 0.01 1.07 0.00 0.61 -1.72 0.00 0.00 179.24 179.20 2dm2 n GLY 64 N 1.22 1.39 3.55 2.75 0.00 -1.04 -5.13 105.19 107.92 2dm2 n GLY 64 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.69 0.21 2.61 2.01 -1.26 -4.38 115.64 116.52 2dm2 s THR 65 Ca 0.00 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 2dm2 s THR 65 Cb 0.00 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2dm2 s THR 65 CO 0.00 0.57 0.45 0.00 -0.69 0.00 0.00 174.62 174.95 2dm2 s SER 67 N -2.85 -0.57 -0.20 0.00 1.04 -1.16 -3.27 113.70 106.69 2dm2 s SER 67 Ca 0.42 0.92 -0.09 0.00 0.48 0.00 0.00 55.95 57.68 2dm2 s SER 67 Cb -0.11 1.68 -0.05 0.00 0.10 0.00 0.00 66.02 67.64 2dm2 s SER 67 CO 0.27 -0.25 0.11 -0.22 0.98 0.00 0.00 173.24 174.13 2dm2 s LEU 68 N 2.71 4.03 -0.01 2.42 2.96 -0.84 -2.31 118.68 127.64 2dm2 s LEU 68 Ca 0.05 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 2dm2 s LEU 68 Cb -0.13 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 2dm2 s LEU 68 CO -0.17 0.15 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.55 2dm2 s HIS 69 N 0.52 1.70 -0.29 5.38 5.65 -0.43 -0.99 115.29 126.84 2dm2 s HIS 69 Ca 0.06 -0.33 -0.00 0.00 0.25 0.00 0.00 55.06 55.04 2dm2 s HIS 69 Cb -0.12 -1.09 0.09 0.00 -1.18 0.00 0.00 32.58 30.28 2dm2 s HIS 69 CO 0.00 -0.02 0.07 0.99 -0.65 0.00 0.00 174.74 175.13 2dm2 s THR 70 N -0.47 1.03 0.34 0.89 2.01 -0.73 -0.83 115.64 117.88 2dm2 s THR 70 Ca 0.07 -1.37 0.02 0.00 0.31 0.00 0.00 61.69 60.73 2dm2 s THR 70 Cb -0.07 -1.70 0.23 0.00 0.01 0.00 0.00 72.50 70.97 2dm2 s THR 70 CO -0.01 -0.55 1.97 0.00 -0.69 0.00 0.00 174.62 175.34 2dm2 h THR 71 N 6.52 1.17 -3.30 -0.82 1.03 -1.87 -2.75 112.91 112.89 2dm2 h THR 71 Ca -0.13 -0.44 -0.56 0.00 -0.01 0.00 0.00 66.41 65.27 2dm2 h THR 71 Cb 1.03 0.43 -0.37 0.00 -1.07 0.00 0.00 68.15 68.17 2dm2 h THR 71 CO 0.45 0.19 -0.80 0.00 -0.01 0.00 0.00 175.52 175.35 2dm2 s ALA 72 N -5.51 1.57 -0.19 0.00 0.00 -1.26 -4.26 121.76 112.10 2dm2 s ALA 72 Ca -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2dm2 s ALA 72 Cb 0.17 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 2dm2 s ALA 72 CO 0.77 -0.70 -0.03 -1.54 0.00 0.00 0.00 175.76 174.25 2dm2 s SER 73 N 1.60 4.56 0.32 0.00 1.04 -1.25 -4.98 113.70 114.99 2dm2 s SER 73 Ca 0.01 -0.27 0.09 0.00 0.48 0.00 0.00 55.95 56.27 2dm2 s SER 73 Cb -0.15 -1.77 -0.05 0.00 0.10 0.00 0.00 66.02 64.15 2dm2 s SER 73 CO -0.08 0.06 -0.02 0.42 0.98 0.00 0.00 173.24 174.61 2dm2 s THR 74 N 0.99 2.79 0.64 2.02 -4.23 -1.26 -0.32 115.64 116.27 2dm2 s THR 74 Ca 0.01 -2.01 0.27 0.00 -1.18 0.00 0.00 61.69 58.78 2dm2 s THR 74 Cb -0.15 -2.74 0.31 0.00 1.34 0.00 0.00 72.50 71.26 2dm2 s THR 74 CO 0.01 -0.26 1.83 -0.07 -0.54 0.00 0.00 174.62 175.58 2dm2 h LEU 75 N 1.88 0.00 0.20 4.79 -0.00 -1.98 0.17 115.31 120.37 2dm2 h LEU 75 Ca -0.43 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.19 2dm2 h LEU 75 Cb 1.25 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.94 2dm2 h LEU 75 CO 0.64 0.00 -1.15 0.44 -0.00 0.00 0.00 178.44 178.37 2dm2 h ASP 76 N 0.00 0.65 -0.87 -0.43 5.19 -1.99 -3.32 116.42 115.65 2dm2 h ASP 76 Ca 0.09 -0.94 0.13 0.00 -0.62 0.00 0.00 57.03 55.69 2dm2 h ASP 76 Cb 1.00 -0.21 -0.09 0.00 0.18 0.00 0.00 39.33 40.22 2dm2 h ASP 76 CO -0.00 1.55 0.49 0.44 -3.12 0.00 0.00 179.24 178.60 2dm2 h ASP 77 N -0.13 0.65 -2.13 6.45 5.19 -1.05 -3.43 116.42 121.98 2dm2 h ASP 77 Ca -0.20 0.07 -0.50 0.00 -0.62 0.00 0.00 57.03 55.78 2dm2 h ASP 77 Cb 1.90 -0.05 0.24 0.00 0.18 0.00 0.00 39.33 41.60 2dm2 h ASP 77 CO 0.21 0.32 -1.59 -0.90 -3.12 0.00 0.00 179.24 174.16 2dm2 n ASP 78 N -4.78 -3.25 0.00 6.45 5.75 -1.11 -4.86 116.55 114.75 2dm2 n ASP 78 Ca 0.16 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 2dm2 n ASP 78 Cb 0.37 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 2dm2 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dm2 n GLY 79 N 2.62 0.61 3.03 6.12 0.00 -1.26 -4.92 105.19 111.38 2dm2 n GLY 79 Ca 0.01 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 2dm2 n GLY 79 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dm2 s ASN 80 N -4.00 4.56 -0.88 1.61 2.47 -1.26 -3.14 114.94 114.31 2dm2 s ASN 80 Ca 0.00 -1.76 -0.22 0.00 0.42 0.00 0.00 52.86 51.30 2dm2 s ASN 80 Cb 0.00 -1.55 0.07 0.00 -1.45 0.00 0.00 41.25 38.32 2dm2 s ASN 80 CO 0.00 -0.29 1.24 -0.31 -3.72 0.00 0.00 177.10 174.02 2dm2 s TYR 81 N 1.03 2.68 -0.18 0.43 1.51 -1.21 -2.17 117.35 119.44 2dm2 s TYR 81 Ca 0.01 -0.80 -0.15 0.00 -1.01 0.00 0.00 57.07 55.11 2dm2 s TYR 81 Cb -0.19 -4.49 -0.04 0.00 -0.11 0.00 0.00 41.96 37.12 2dm2 s TYR 81 CO -0.07 -1.78 0.38 0.99 -1.11 0.00 0.00 175.55 173.95 2dm2 s THR 82 N 4.29 5.23 -0.10 -0.71 2.01 -0.94 -3.12 115.64 122.30 2dm2 s THR 82 Ca 0.36 0.68 -0.01 0.00 0.31 0.00 0.00 61.69 63.03 2dm2 s THR 82 Cb -0.06 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2dm2 s THR 82 CO -0.02 0.30 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.66 2dm2 s ILE 83 N 1.01 3.88 0.08 1.82 2.07 -1.20 -0.99 121.20 127.87 2dm2 s ILE 83 Ca 0.19 -0.39 0.08 0.00 -1.41 0.00 0.00 60.65 59.11 2dm2 s ILE 83 Cb -0.14 -2.64 -0.04 0.00 0.13 0.00 0.00 42.46 39.77 2dm2 s ILE 83 CO 0.07 0.56 -0.17 -0.32 -1.91 0.00 0.00 174.94 173.18 2dm2 s MET 84 N -0.41 1.98 -0.06 3.50 -2.45 -0.78 -0.98 119.30 120.10 2dm2 s MET 84 Ca 0.06 -1.06 0.03 0.00 -1.25 0.00 0.00 55.69 53.48 2dm2 s MET 84 Cb -0.12 -2.18 0.01 0.00 1.25 0.00 0.00 34.83 33.79 2dm2 s MET 84 CO 0.02 0.51 -0.13 0.00 1.05 0.00 0.00 175.02 176.47 2dm2 s ALA 85 N -1.04 1.30 -0.18 4.11 0.00 -0.59 -2.14 121.76 123.21 2dm2 s ALA 85 Ca 0.17 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2dm2 s ALA 85 Cb -0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2dm2 s ALA 85 CO 0.08 0.16 0.02 0.00 0.00 0.00 0.00 175.76 176.01 2dm2 s ALA 86 N 0.48 3.17 -0.07 0.00 0.00 -1.00 -2.76 121.76 121.58 2dm2 s ALA 86 Ca -0.11 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 2dm2 s ALA 86 Cb -0.14 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.22 2dm2 s ALA 86 CO 0.03 0.06 0.23 1.21 0.00 0.00 0.00 175.76 177.30 2dm2 s ASN 87 N 0.61 -0.20 0.00 0.00 3.84 -1.22 -2.00 114.94 115.96 2dm2 s ASN 87 Ca 0.00 0.35 0.08 0.00 0.21 0.00 0.00 52.86 53.50 2dm2 s ASN 87 Cb -0.14 0.43 0.46 0.00 -0.55 0.00 0.00 41.25 41.45 2dm2 s ASN 87 CO 0.02 -0.15 0.91 -0.81 -2.79 0.00 0.00 177.10 174.28 2dm2 n PRO 88 N 2.60 0.49 0.00 0.43 -0.04 -1.26 -1.84 135.00 135.37 2dm2 n PRO 88 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2dm2 n PRO 88 Cb 0.58 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.75 3.46 0.00 0.54 1.13 -1.26 -5.10 117.38 115.41 2dm2 n GLN 89 Ca 0.06 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 2dm2 n GLN 89 Cb 0.03 -0.54 0.00 0.00 0.11 0.00 0.00 30.24 29.83 2dm2 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dm2 n GLY 90 N 0.53 4.13 3.62 1.08 0.00 -0.77 -4.37 105.19 109.41 2dm2 n GLY 90 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 2dm2 n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dm2 s ARG 91 N -2.44 2.28 0.22 1.61 3.52 -1.26 -3.45 118.95 119.43 2dm2 s ARG 91 Ca 0.00 -1.06 -0.02 0.00 -0.13 0.00 0.00 55.73 54.53 2dm2 s ARG 91 Cb 0.00 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 2dm2 s ARG 91 CO 0.00 0.48 0.19 0.96 -0.81 0.00 0.00 175.30 176.13 2dm2 s ILE 92 N -1.48 0.00 0.08 4.11 -4.36 -1.11 -4.99 121.20 113.46 2dm2 s ILE 92 Ca 0.25 -1.92 -0.11 0.00 -0.26 0.00 0.00 60.65 58.61 2dm2 s ILE 92 Cb -0.10 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.15 2dm2 s ILE 92 CO 0.16 0.00 0.24 -0.55 0.24 0.00 0.00 174.94 175.04 2dm2 s SER 93 N -3.16 0.01 0.35 4.36 0.15 -1.26 -1.54 113.70 112.61 2dm2 s SER 93 Ca 0.37 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.58 2dm2 s SER 93 Cb 0.06 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2dm2 s SER 93 CO 0.13 -0.70 0.14 0.00 1.20 0.00 0.00 173.24 174.00 2dm2 s THR 95 N -3.40 0.05 0.12 0.00 2.01 -1.26 -3.26 115.64 109.91 2dm2 s THR 95 Ca 0.31 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 2dm2 s THR 95 Cb 0.04 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 2dm2 s THR 95 CO 0.16 -0.24 0.12 -0.83 -0.69 0.00 0.00 174.62 173.14 2dm2 s GLY 96 N -1.00 0.71 -0.00 4.40 0.00 -1.18 -4.70 107.32 105.54 2dm2 s GLY 96 Ca -0.11 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.42 2dm2 s GLY 96 CO 0.03 -1.17 -0.06 -1.60 0.00 0.00 0.00 173.10 170.29 2dm2 s ARG 97 N -3.99 0.47 0.10 2.90 6.06 -1.26 -3.32 118.95 119.90 2dm2 s ARG 97 Ca 0.18 -0.24 0.09 0.00 -2.50 0.00 0.00 55.73 53.26 2dm2 s ARG 97 Cb 0.06 -0.44 -0.03 0.00 0.06 0.00 0.00 34.95 34.59 2dm2 s ARG 97 CO -0.01 0.12 -0.22 -0.51 -2.50 0.00 0.00 175.30 172.18 2dm2 s LEU 98 N -0.23 2.29 -0.32 -0.88 1.43 -1.19 -4.12 118.68 115.67 2dm2 s LEU 98 Ca 0.01 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2dm2 s LEU 98 Cb -0.03 -0.96 0.10 0.00 0.03 0.00 0.00 46.19 45.33 2dm2 s LEU 98 CO -0.00 0.09 0.06 -0.04 0.23 0.00 0.00 176.35 176.69 2dm2 s MET 99 N -1.86 1.19 -0.31 1.70 -1.94 -1.21 -4.51 119.30 112.36 2dm2 s MET 99 Ca 0.08 -1.48 -0.09 0.00 -1.71 0.00 0.00 55.69 52.49 2dm2 s MET 99 Cb -0.10 -2.67 -0.00 0.00 2.01 0.00 0.00 34.83 34.07 2dm2 s MET 99 CO 0.04 -0.93 0.13 0.08 -0.01 0.00 0.00 175.02 174.34 2dm2 s VAL 100 N 1.23 4.39 -0.28 -6.03 1.01 -1.26 -2.56 120.40 116.89 2dm2 s VAL 100 Ca 0.09 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 2dm2 s VAL 100 Cb -0.18 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2dm2 s VAL 100 CO -0.15 0.06 0.39 -1.10 0.00 0.00 0.00 175.10 174.30 2dm2 s GLN 101 N 1.57 3.97 0.06 2.72 -1.52 -1.18 -4.81 119.66 120.46 2dm2 s GLN 101 Ca 0.04 0.02 -0.38 0.00 -1.95 0.00 0.00 55.36 53.09 2dm2 s GLN 101 Cb -0.17 -3.67 -0.18 0.00 -0.22 0.00 0.00 33.01 28.76 2dm2 s GLN 101 CO 0.05 -0.32 1.11 0.00 -0.25 0.00 0.00 175.29 175.88 2dm2 n ALA 102 N 5.37 -2.59 -3.74 6.09 0.00 -1.26 -1.15 120.51 123.23 2dm2 n ALA 102 Ca -0.08 0.55 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 2dm2 n ALA 102 Cb 0.50 -1.86 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 2dm2 n ALA 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dm2 s VAL 103 N 0.04 0.52 0.45 0.00 1.01 -1.26 -4.79 120.40 116.37 2dm2 s VAL 103 Ca 0.85 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 2dm2 s VAL 103 Cb -1.12 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2dm2 s VAL 103 CO 0.54 -0.17 0.71 0.20 0.00 0.00 0.00 175.10 176.37 2dm2 s ASN 104 N 1.86 6.07 -0.44 3.32 -0.87 -1.26 -4.94 114.94 118.69 2dm2 s ASN 104 Ca -0.00 0.61 0.02 0.00 -1.57 0.00 0.00 52.86 51.92 2dm2 s ASN 104 Cb -0.17 -1.94 0.14 0.00 -0.02 0.00 0.00 41.25 39.27 2dm2 s ASN 104 CO -0.08 -0.60 0.26 -0.55 -2.57 0.00 0.00 177.10 173.56 2dm2 s SER 105 N -4.14 3.39 0.21 -1.22 0.15 -1.26 -4.87 113.70 105.95 2dm2 s SER 105 Ca 0.46 -2.65 0.04 0.00 0.70 0.00 0.00 55.95 54.50 2dm2 s SER 105 Cb -0.10 -0.89 -0.05 0.00 -1.71 0.00 0.00 66.02 63.27 2dm2 s SER 105 CO 0.41 -0.26 -0.04 -0.83 1.20 0.00 0.00 173.24 173.72 2dm2 s GLY 106 N 0.36 1.41 0.00 9.45 0.00 -1.24 -5.02 107.32 112.29 2dm2 s GLY 106 Ca 0.20 -1.68 0.13 0.00 0.00 0.00 0.00 44.72 43.36 2dm2 s GLY 106 CO -0.02 -1.65 1.20 -1.55 0.00 0.00 0.00 173.10 171.07 2dm2 n PRO 107 N -0.36 0.49 -0.02 2.90 -0.04 -1.26 -2.33 135.00 134.39 2dm2 n PRO 107 Ca -0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.33 2dm2 n PRO 107 Cb 0.63 -1.41 -0.13 0.00 -0.04 0.00 0.00 33.50 32.54 2dm2 n PRO 107 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dm2 n SER 108 N -0.91 0.76 -3.70 3.54 3.41 -1.26 -5.01 113.62 110.45 2dm2 n SER 108 Ca 0.10 0.36 -0.07 0.00 -0.26 0.00 0.00 58.87 59.00 2dm2 n SER 108 Cb 0.04 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2dm2 n SER 108 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm2 s SER 109 N -5.94 -0.30 0.00 4.04 0.01 -0.98 -5.25 113.70 105.28 2dm2 s SER 109 Ca -0.05 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2dm2 s SER 109 Cb 0.08 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.88 2dm2 s SER 109 CO 0.82 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 174.06