#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 s SER 2 N 0.00 7.08 0.17 1.61 0.15 -1.26 -4.93 113.70 116.52 2dm4 s SER 2 Ca 0.00 1.61 -0.24 0.00 0.70 0.00 0.00 55.95 58.03 2dm4 s SER 2 Cb 0.00 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2dm4 s SER 2 CO 0.00 -0.62 1.41 -0.24 1.20 0.00 0.00 173.24 174.99 2dm4 n SER 3 N 5.77 -0.83 0.00 5.45 2.88 -1.26 -4.71 113.62 120.92 2dm4 n SER 3 Ca 0.11 1.61 0.00 0.00 -1.33 0.00 0.00 58.87 59.27 2dm4 n SER 3 Cb 0.46 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2dm4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 4 N -1.30 0.58 3.72 0.46 0.00 -1.26 -5.14 105.19 102.24 2dm4 n GLY 4 Ca 0.05 0.61 -0.42 0.00 0.00 0.00 0.00 46.02 46.25 2dm4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dm4 n SER 5 N 0.00 3.09 -4.07 1.61 3.41 -1.26 -4.98 113.62 111.41 2dm4 n SER 5 Ca 0.00 1.20 -0.32 0.00 -0.26 0.00 0.00 58.87 59.49 2dm4 n SER 5 Cb 0.00 -1.52 -0.15 0.00 -0.26 0.00 0.00 64.21 62.28 2dm4 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm4 s SER 6 N -0.14 4.60 0.55 4.04 0.01 -1.26 -5.03 113.70 116.47 2dm4 s SER 6 Ca 0.57 -1.59 0.04 0.00 1.31 0.00 0.00 55.95 56.29 2dm4 s SER 6 Cb -0.55 -1.60 0.06 0.00 0.21 0.00 0.00 66.02 64.14 2dm4 s SER 6 CO 0.60 -0.25 0.76 -0.83 0.41 0.00 0.00 173.24 173.93 2dm4 s GLY 7 N 1.09 1.83 0.00 3.44 0.00 -1.26 -4.97 107.32 107.45 2dm4 s GLY 7 Ca -0.03 -1.66 0.13 0.00 0.00 0.00 0.00 44.72 43.16 2dm4 s GLY 7 CO -0.05 -1.32 1.21 -1.55 0.00 0.00 0.00 173.10 171.39 2dm4 n PRO 8 N -2.28 0.49 -0.26 2.90 -0.04 -1.26 -3.66 135.00 130.89 2dm4 n PRO 8 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2dm4 n PRO 8 Cb 0.60 -1.42 0.20 0.00 -0.04 0.00 0.00 33.50 32.84 2dm4 n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dm4 h ASP 9 N 0.00 0.13 -4.34 3.54 5.19 -1.85 -3.26 116.42 115.83 2dm4 h ASP 9 Ca 0.00 0.14 -0.51 0.00 -0.62 0.00 0.00 57.03 56.04 2dm4 h ASP 9 Cb 0.00 0.16 0.09 0.00 0.18 0.00 0.00 39.33 39.76 2dm4 h ASP 9 CO 0.00 0.00 0.38 0.00 -3.12 0.00 0.00 179.24 176.50 2dm4 s ALA 10 N -6.01 2.71 1.24 3.45 0.00 -1.24 -4.50 121.76 117.41 2dm4 s ALA 10 Ca -0.12 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2dm4 s ALA 10 Cb 0.22 -3.15 0.30 0.00 0.00 0.00 0.00 23.12 20.49 2dm4 s ALA 10 CO 0.76 -1.18 1.11 -1.25 0.00 0.00 0.00 175.76 175.20 2dm4 s PRO 11 N -5.08 -1.51 0.24 0.00 0.04 -1.26 -4.31 135.00 123.12 2dm4 s PRO 11 Ca 0.58 -0.17 -0.09 0.00 0.04 0.00 0.00 61.00 61.36 2dm4 s PRO 11 Cb -0.14 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 2dm4 s PRO 11 CO 0.55 -3.88 0.40 1.03 0.04 0.00 0.00 177.00 175.13 2dm4 s ARG 12 N -5.48 1.49 -1.11 4.56 0.52 -1.08 -4.82 118.95 113.02 2dm4 s ARG 12 Ca 0.72 -1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2dm4 s ARG 12 Cb -0.08 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.81 2dm4 s ARG 12 CO 0.56 -0.59 0.95 0.09 0.02 0.00 0.00 175.30 176.32 2dm4 n ASN 13 N -0.43 -3.38 -4.55 0.23 3.02 -1.26 0.63 115.26 109.51 2dm4 n ASN 13 Ca -0.01 -0.53 -0.37 0.00 -0.03 0.00 0.00 54.58 53.65 2dm4 n ASN 13 Cb 0.63 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.18 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2dm4 s LEU 14 N -6.13 3.30 -0.28 3.41 2.96 -1.26 -4.09 118.68 116.60 2dm4 s LEU 14 Ca 0.18 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.52 2dm4 s LEU 14 Cb -0.08 -2.53 0.05 0.00 0.50 0.00 0.00 46.19 44.13 2dm4 s LEU 14 CO 0.65 -2.52 -0.04 -1.10 -1.32 0.00 0.00 176.35 172.02 2dm4 s GLN 15 N 7.32 2.47 0.36 1.98 -0.21 0.16 -4.95 119.66 126.79 2dm4 s GLN 15 Ca 0.74 -1.22 -0.09 0.00 0.02 0.00 0.00 55.36 54.80 2dm4 s GLN 15 Cb -0.13 -3.07 -0.06 0.00 1.00 0.00 0.00 33.01 30.75 2dm4 s GLN 15 CO 0.21 -0.56 0.70 -0.51 -2.12 0.00 0.00 175.29 173.01 2dm4 s LEU 16 N 1.23 3.93 0.00 2.90 1.02 -1.26 -0.91 118.68 125.59 2dm4 s LEU 16 Ca -0.05 1.03 0.00 0.00 0.02 0.00 0.00 54.13 55.13 2dm4 s LEU 16 Cb -0.19 -3.88 0.00 0.00 0.02 0.00 0.00 46.19 42.14 2dm4 s LEU 16 CO -0.03 -0.31 0.42 -1.54 0.02 0.00 0.00 176.35 174.92 2dm4 n SER 17 N -1.05 -1.17 -3.87 2.29 3.41 0.20 -4.94 113.62 108.50 2dm4 n SER 17 Ca 0.01 -2.86 -0.17 0.00 -0.26 0.00 0.00 58.87 55.59 2dm4 n SER 17 Cb 0.54 2.25 -0.16 0.00 -0.26 0.00 0.00 64.21 66.58 2dm4 n SER 17 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dm4 s LEU 18 N 0.00 1.43 0.04 1.04 1.43 -1.26 -0.24 118.68 121.11 2dm4 s LEU 18 Ca 0.30 -0.06 -0.31 0.00 -1.03 0.00 0.00 54.13 53.03 2dm4 s LEU 18 Cb -0.00 -0.28 -0.06 0.00 0.03 0.00 0.00 46.19 45.88 2dm4 s LEU 18 CO 0.21 -0.05 1.42 -2.16 0.23 0.00 0.00 176.35 176.00 2dm4 s PRO 19 N 0.70 4.29 0.00 1.29 0.04 -1.26 -4.89 135.00 135.16 2dm4 s PRO 19 Ca -0.08 2.02 0.30 0.00 0.04 0.00 0.00 61.00 63.28 2dm4 s PRO 19 Cb -0.11 -3.48 1.77 0.00 0.04 0.00 0.00 34.50 32.72 2dm4 s PRO 19 CO -0.01 -0.54 2.12 2.89 0.04 0.00 0.00 177.00 181.50 2dm4 n ARG 20 N 4.98 0.96 -0.02 4.56 1.85 -1.26 -2.88 116.66 124.85 2dm4 n ARG 20 Ca 0.13 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.99 2dm4 n ARG 20 Cb 0.43 -1.48 0.01 0.00 -1.05 0.00 0.00 32.46 30.37 2dm4 n ARG 20 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dm4 n GLU 21 N -0.98 1.97 -3.75 2.89 -0.58 -1.26 -5.01 120.64 113.91 2dm4 n GLU 21 Ca 0.22 -1.30 -0.13 0.00 -0.42 0.00 0.00 57.16 55.53 2dm4 n GLU 21 Cb 0.10 -0.89 -0.13 0.00 -0.57 0.00 0.00 31.44 29.95 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dm4 s ALA 22 N -0.85 -0.42 0.36 0.62 0.00 -1.14 -5.16 121.76 115.18 2dm4 s ALA 22 Ca 0.02 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2dm4 s ALA 22 Cb 0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2dm4 s ALA 22 CO 0.00 -0.16 0.57 -1.21 0.00 0.00 0.00 175.76 174.96 2dm4 s GLU 23 N 1.00 3.39 -1.67 0.00 2.02 -1.26 -4.37 118.70 117.80 2dm4 s GLU 23 Ca -0.07 -0.39 -0.15 0.00 0.02 0.00 0.00 54.97 54.37 2dm4 s GLU 23 Cb -0.09 -2.65 0.13 0.00 0.10 0.00 0.00 34.13 31.62 2dm4 s GLU 23 CO -0.06 0.07 0.64 0.41 0.02 0.00 0.00 175.26 176.34 2dm4 n GLY 24 N -1.83 -0.38 2.92 -1.39 0.00 -1.26 -4.77 105.19 98.49 2dm4 n GLY 24 Ca -0.03 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2dm4 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm4 s VAL 25 N -3.48 0.13 -0.01 1.61 1.01 -1.26 -0.69 120.40 117.72 2dm4 s VAL 25 Ca 0.58 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.29 2dm4 s VAL 25 Cb -0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2dm4 s VAL 25 CO 0.94 -0.13 -0.21 -0.63 0.00 0.00 0.00 175.10 175.08 2dm4 s ILE 26 N -0.46 1.65 -0.41 2.22 1.01 0.45 -4.22 121.20 121.44 2dm4 s ILE 26 Ca -0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 2dm4 s ILE 26 Cb -0.03 -1.38 0.11 0.00 0.01 0.00 0.00 42.46 41.17 2dm4 s ILE 26 CO -0.00 0.42 0.20 -0.69 0.00 0.00 0.00 174.94 174.87 2dm4 s VAL 27 N -0.54 3.22 -0.09 2.92 1.01 0.66 0.72 120.40 128.30 2dm4 s VAL 27 Ca 0.08 -2.13 -0.18 0.00 0.00 0.00 0.00 61.98 59.75 2dm4 s VAL 27 Cb -0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2dm4 s VAL 27 CO -0.00 -0.69 0.50 -0.83 0.00 0.00 0.00 175.10 174.07 2dm4 s GLY 28 N 1.69 2.44 0.22 4.51 0.00 0.12 0.63 107.32 116.94 2dm4 s GLY 28 Ca 0.09 -0.15 0.10 0.00 0.00 0.00 0.00 44.72 44.75 2dm4 s GLY 28 CO -0.04 0.74 -0.18 0.30 0.00 0.00 0.00 173.10 173.92 2dm4 s HIS 29 N 0.39 1.96 0.20 1.90 3.76 -0.08 -0.73 115.29 122.69 2dm4 s HIS 29 Ca 0.27 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.61 2dm4 s HIS 29 Cb -0.16 -0.90 0.04 0.00 1.11 0.00 0.00 32.58 32.67 2dm4 s HIS 29 CO 0.12 0.49 0.54 -2.67 -0.85 0.00 0.00 174.74 172.37 2dm4 n TRP 30 N -0.30 -1.57 -4.46 1.40 2.14 -0.33 -0.66 117.44 113.66 2dm4 n TRP 30 Ca -0.08 -1.02 -0.23 0.00 2.07 0.00 0.00 57.50 58.24 2dm4 n TRP 30 Cb 0.59 0.51 -0.10 0.00 -0.81 0.00 0.00 31.31 31.50 2dm4 n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2dm4 s ALA 31 N -1.66 2.57 0.46 -1.67 0.00 0.20 -4.81 121.76 116.85 2dm4 s ALA 31 Ca 0.11 -1.93 -0.23 0.00 0.00 0.00 0.00 51.96 49.91 2dm4 s ALA 31 Cb -0.03 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.03 2dm4 s ALA 31 CO 0.06 0.05 1.17 -1.25 0.00 0.00 0.00 175.76 175.78 2dm4 s PRO 32 N -3.65 3.77 0.04 0.00 0.04 -1.26 -2.64 135.00 131.30 2dm4 s PRO 32 Ca 0.30 1.78 -0.31 0.00 0.04 0.00 0.00 61.00 62.81 2dm4 s PRO 32 Cb 0.01 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 2dm4 s PRO 32 CO 0.13 -0.55 1.42 -1.25 0.04 0.00 0.00 177.00 176.79 2dm4 s PRO 33 N -2.69 4.29 0.26 0.56 0.04 -1.26 -4.65 135.00 131.55 2dm4 s PRO 33 Ca 0.63 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.64 2dm4 s PRO 33 Cb -0.29 -3.47 0.45 0.00 0.04 0.00 0.00 34.50 31.24 2dm4 s PRO 33 CO 0.35 -0.54 1.45 -0.89 0.04 0.00 0.00 177.00 177.41 2dm4 n ILE 34 N 4.43 -0.39 -3.71 0.56 5.41 -1.23 -4.59 119.36 119.84 2dm4 n ILE 34 Ca 0.13 2.12 -0.14 0.00 1.00 0.00 0.00 62.75 65.86 2dm4 n ILE 34 Cb 0.43 -2.95 -0.08 0.00 -0.71 0.00 0.00 39.64 36.34 2dm4 n ILE 34 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2dm4 s HIS 35 N -6.15 -0.25 0.06 1.39 3.76 -1.26 -5.08 115.29 107.76 2dm4 s HIS 35 Ca -0.14 0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 2dm4 s HIS 35 Cb 0.25 0.16 -0.04 0.00 1.11 0.00 0.00 32.58 34.07 2dm4 s HIS 35 CO 0.72 -0.47 -0.04 0.95 -0.85 0.00 0.00 174.74 175.05 2dm4 s THR 36 N -1.71 0.32 -0.25 1.30 -4.23 -1.26 -2.57 115.64 107.24 2dm4 s THR 36 Ca -0.10 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2dm4 s THR 36 Cb -0.03 -1.40 0.29 0.00 1.34 0.00 0.00 72.50 72.71 2dm4 s THR 36 CO 0.03 -0.90 1.62 1.57 -0.54 0.00 0.00 174.62 176.39 2dm4 n HIS 37 N 0.28 1.52 0.00 3.99 -0.00 -1.26 -4.81 115.22 114.93 2dm4 n HIS 37 Ca -0.15 -1.40 0.00 0.00 0.46 0.00 0.00 57.72 56.63 2dm4 n HIS 37 Cb 0.60 -0.70 0.00 0.00 -0.12 0.00 0.00 29.99 29.77 2dm4 n HIS 37 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2dm4 n GLY 38 N -0.12 3.21 3.09 1.57 0.00 -1.26 -4.88 105.19 106.79 2dm4 n GLY 38 Ca 0.30 0.02 -0.55 0.00 0.00 0.00 0.00 46.02 45.78 2dm4 n GLY 38 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dm4 n LEU 39 N 0.00 0.81 -4.68 0.99 0.00 -1.26 -4.54 117.00 108.32 2dm4 n LEU 39 Ca 0.00 0.99 -0.42 0.00 0.00 0.00 0.00 56.01 56.58 2dm4 n LEU 39 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 43.42 42.65 2dm4 n LEU 39 CO 0.00 -0.87 1.31 -0.63 0.00 0.00 0.00 177.39 177.20 2dm4 s ILE 40 N 2.02 3.24 -0.08 1.96 1.01 -1.26 -4.12 121.20 123.98 2dm4 s ILE 40 Ca 0.85 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 62.02 2dm4 s ILE 40 Cb -1.21 -3.39 -0.29 0.00 0.01 0.00 0.00 42.46 37.58 2dm4 s ILE 40 CO 0.64 -0.01 0.55 0.03 0.00 0.00 0.00 174.94 176.15 2dm4 h ARG 41 N 8.56 0.34 -2.26 2.79 3.08 -1.82 -3.50 114.38 121.56 2dm4 h ARG 41 Ca -0.41 -0.57 0.24 0.00 0.07 0.00 0.00 59.98 59.30 2dm4 h ARG 41 Cb 1.19 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 31.40 2dm4 h ARG 41 CO 0.93 1.26 0.70 -1.83 -1.07 0.00 0.00 179.97 179.96 2dm4 s GLU 42 N -2.57 0.93 -0.15 0.04 -1.05 -1.26 -5.03 118.70 109.60 2dm4 s GLU 42 Ca -0.18 -0.58 0.01 0.00 -0.15 0.00 0.00 54.97 54.06 2dm4 s GLU 42 Cb 0.06 0.27 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 2dm4 s GLU 42 CO 0.82 -0.43 -0.15 0.71 0.95 0.00 0.00 175.26 177.15 2dm4 s TYR 43 N -2.27 2.27 0.29 4.83 2.02 -1.17 -1.50 117.35 121.82 2dm4 s TYR 43 Ca 0.22 -1.27 -0.15 0.00 -0.37 0.00 0.00 57.07 55.50 2dm4 s TYR 43 Cb -0.01 -1.64 -0.09 0.00 -0.40 0.00 0.00 41.96 39.82 2dm4 s TYR 43 CO 0.02 -0.68 0.70 -1.50 -1.57 0.00 0.00 175.55 172.53 2dm4 s ILE 44 N 1.39 4.69 -0.19 2.71 2.07 -0.58 -0.67 121.20 130.63 2dm4 s ILE 44 Ca 0.04 0.95 -0.01 0.00 -1.41 0.00 0.00 60.65 60.22 2dm4 s ILE 44 Cb -0.13 -3.66 0.05 0.00 0.13 0.00 0.00 42.46 38.85 2dm4 s ILE 44 CO -0.10 -0.08 -0.02 0.68 -1.91 0.00 0.00 174.94 173.50 2dm4 s VAL 45 N -1.86 1.01 -0.25 4.00 -7.23 -0.42 -1.43 120.40 114.22 2dm4 s VAL 45 Ca 0.51 -0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 59.85 2dm4 s VAL 45 Cb -0.12 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 2dm4 s VAL 45 CO 0.18 -0.03 0.11 -1.61 -0.31 0.00 0.00 175.10 173.44 2dm4 s GLU 46 N 1.65 3.83 0.07 4.82 2.02 0.13 -2.61 118.70 128.61 2dm4 s GLU 46 Ca -0.01 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.66 2dm4 s GLU 46 Cb -0.17 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 2dm4 s GLU 46 CO -0.07 -0.09 -0.20 1.52 0.02 0.00 0.00 175.26 176.43 2dm4 s TYR 47 N 1.41 1.75 -0.22 1.61 1.13 -0.86 -0.63 117.35 121.55 2dm4 s TYR 47 Ca 0.06 -0.40 -0.25 0.00 -1.41 0.00 0.00 57.07 55.07 2dm4 s TYR 47 Cb -0.15 -1.00 0.07 0.00 -1.10 0.00 0.00 41.96 39.78 2dm4 s TYR 47 CO 0.05 0.15 0.67 0.45 -2.51 0.00 0.00 175.55 174.37 2dm4 s SER 48 N -1.56 -0.69 0.62 -0.18 0.15 -0.37 -1.90 113.70 109.76 2dm4 s SER 48 Ca 0.06 1.24 -0.19 0.00 0.70 0.00 0.00 55.95 57.76 2dm4 s SER 48 Cb -0.09 1.23 -0.02 0.00 -1.71 0.00 0.00 66.02 65.42 2dm4 s SER 48 CO 0.03 -0.30 1.32 -0.60 1.20 0.00 0.00 173.24 174.89 2dm4 s ARG 49 N 0.06 2.69 0.64 5.44 3.52 -1.26 -1.87 118.95 128.17 2dm4 s ARG 49 Ca -0.02 2.13 0.18 0.00 -0.13 0.00 0.00 55.73 57.89 2dm4 s ARG 49 Cb -0.04 -1.96 0.78 0.00 -1.56 0.00 0.00 34.95 32.18 2dm4 s ARG 49 CO 0.03 -1.51 1.39 0.66 -0.81 0.00 0.00 175.30 175.05 2dm4 h SER 50 N 0.78 0.00 -2.94 -2.12 4.64 -1.70 -3.14 113.55 109.07 2dm4 h SER 50 Ca -0.51 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.23 2dm4 h SER 50 Cb 1.33 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.02 2dm4 h SER 50 CO 0.54 0.00 -0.79 -0.83 -0.87 0.00 0.00 176.83 174.88 2dm4 s GLY 51 N -3.39 0.99 -0.24 -0.77 0.00 -1.26 -5.09 107.32 97.56 2dm4 s GLY 51 Ca -0.02 -1.81 -0.28 0.00 0.00 0.00 0.00 44.72 42.60 2dm4 s GLY 51 CO 0.27 1.87 1.20 -0.45 0.00 0.00 0.00 173.10 175.99 2dm4 s SER 52 N 1.25 -0.21 -0.01 1.64 0.15 -1.19 -5.02 113.70 110.30 2dm4 s SER 52 Ca 0.14 0.29 0.21 0.00 0.70 0.00 0.00 55.95 57.30 2dm4 s SER 52 Cb -0.21 0.25 0.63 0.00 -1.71 0.00 0.00 66.02 64.98 2dm4 s SER 52 CO -0.12 -0.16 1.53 0.29 1.20 0.00 0.00 173.24 175.97 2dm4 n LYS 53 N 0.98 2.72 -4.84 5.44 5.02 -1.26 -4.89 118.16 121.33 2dm4 n LYS 53 Ca -0.07 -2.56 -0.31 0.00 -2.02 0.00 0.00 58.31 53.36 2dm4 n LYS 53 Cb 0.58 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.87 2dm4 n LYS 53 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dm4 s MET 54 N -1.12 1.95 -0.09 1.97 -1.94 -1.26 -5.13 119.30 113.68 2dm4 s MET 54 Ca 0.47 -1.04 -0.00 0.00 -1.71 0.00 0.00 55.69 53.41 2dm4 s MET 54 Cb 0.25 -2.08 0.02 0.00 2.01 0.00 0.00 34.83 35.04 2dm4 s MET 54 CO 0.31 0.53 -0.05 -1.58 -0.01 0.00 0.00 175.02 174.22 2dm4 s TRP 55 N -0.84 1.15 -0.28 -0.03 0.52 -1.26 -4.66 118.94 113.55 2dm4 s TRP 55 Ca 0.13 -0.49 -0.21 0.00 0.02 0.00 0.00 56.10 55.54 2dm4 s TRP 55 Cb -0.10 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.18 2dm4 s TRP 55 CO 0.03 -0.41 0.68 0.00 0.02 0.00 0.00 176.95 177.27 2dm4 s ALA 56 N 1.65 3.58 0.05 0.98 0.00 -0.80 -4.87 121.76 122.35 2dm4 s ALA 56 Ca 0.02 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.55 2dm4 s ALA 56 Cb -0.13 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2dm4 s ALA 56 CO -0.06 -0.96 0.00 -1.54 0.00 0.00 0.00 175.76 173.21 2dm4 s SER 57 N 1.53 5.09 -0.06 0.00 1.04 -1.26 -2.02 113.70 118.02 2dm4 s SER 57 Ca 0.28 -0.10 -0.21 0.00 0.48 0.00 0.00 55.95 56.40 2dm4 s SER 57 Cb -0.15 -1.27 0.04 0.00 0.10 0.00 0.00 66.02 64.74 2dm4 s SER 57 CO 0.10 0.22 0.47 0.00 0.98 0.00 0.00 173.24 175.00 2dm4 s GLN 58 N -2.00 0.78 0.12 4.02 -2.07 -1.07 -4.94 119.66 114.49 2dm4 s GLN 58 Ca 0.23 0.12 -0.28 0.00 -1.82 0.00 0.00 55.36 53.62 2dm4 s GLN 58 Cb -0.12 0.36 -0.07 0.00 -1.09 0.00 0.00 33.01 32.10 2dm4 s GLN 58 CO 0.15 -0.21 0.86 1.03 -1.32 0.00 0.00 175.29 175.81 2dm4 s ARG 59 N -0.98 4.64 -0.16 9.60 3.00 -1.26 -1.30 118.95 132.48 2dm4 s ARG 59 Ca -0.10 1.29 0.00 0.00 0.00 0.00 0.00 55.73 56.92 2dm4 s ARG 59 Cb -0.03 -3.34 0.03 0.00 0.00 0.00 0.00 34.95 31.61 2dm4 s ARG 59 CO 0.05 0.35 -0.11 0.00 0.00 0.00 0.00 175.30 175.59 2dm4 s ALA 60 N -0.40 1.76 0.07 2.13 0.00 0.16 -4.98 121.76 120.49 2dm4 s ALA 60 Ca 0.41 -0.93 -0.34 0.00 0.00 0.00 0.00 51.96 51.11 2dm4 s ALA 60 Cb -0.23 -1.11 -0.19 0.00 0.00 0.00 0.00 23.12 21.59 2dm4 s ALA 60 CO 0.27 -0.58 1.60 0.00 0.00 0.00 0.00 175.76 177.05 2dm4 h ALA 61 N 8.06 -1.02 -3.31 0.00 0.00 -1.86 -3.09 119.26 118.04 2dm4 h ALA 61 Ca -0.32 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 2dm4 h ALA 61 Cb 1.12 0.40 0.11 0.00 0.00 0.00 0.00 17.79 19.42 2dm4 h ALA 61 CO 0.47 -1.07 0.12 0.45 0.00 0.00 0.00 179.25 179.23 2dm4 n SER 62 N -5.53 -1.15 -1.10 0.00 2.88 -1.26 -4.78 113.62 102.68 2dm4 n SER 62 Ca -0.14 -1.00 0.03 0.00 -1.33 0.00 0.00 58.87 56.43 2dm4 n SER 62 Cb 0.41 -0.59 0.18 0.00 -0.75 0.00 0.00 64.21 63.46 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dm4 n ASN 63 N -3.92 3.06 -3.80 -3.46 4.13 -1.26 -4.81 115.26 105.20 2dm4 n ASN 63 Ca 0.09 -2.39 -0.09 0.00 1.68 0.00 0.00 54.58 53.86 2dm4 n ASN 63 Cb 0.34 -0.56 -0.07 0.00 -1.54 0.00 0.00 39.78 37.95 2dm4 n ASN 63 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2dm4 s PHE 64 N -1.78 0.06 0.03 3.10 -0.12 -1.26 -1.19 117.98 116.82 2dm4 s PHE 64 Ca 0.24 -0.46 -0.09 0.00 -0.05 0.00 0.00 56.93 56.58 2dm4 s PHE 64 Cb 0.18 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 2dm4 s PHE 64 CO 0.08 -0.58 0.17 -0.08 -0.05 0.00 0.00 175.22 174.75 2dm4 s THR 65 N -3.84 0.10 -0.39 -4.49 -1.32 0.09 -4.78 115.64 101.01 2dm4 s THR 65 Ca 0.04 -0.86 -0.03 0.00 -1.21 0.00 0.00 61.69 59.64 2dm4 s THR 65 Cb 0.04 -0.78 0.10 0.00 -1.51 0.00 0.00 72.50 70.35 2dm4 s THR 65 CO -0.11 -0.47 0.18 -1.61 -2.21 0.00 0.00 174.62 170.39 2dm4 s GLU 66 N -2.24 2.03 -0.70 7.08 2.02 -1.26 -0.70 118.70 124.94 2dm4 s GLU 66 Ca -0.08 -1.76 -0.26 0.00 0.02 0.00 0.00 54.97 52.90 2dm4 s GLU 66 Cb -0.03 -3.53 0.04 0.00 0.10 0.00 0.00 34.13 30.72 2dm4 s GLU 66 CO -0.02 -1.02 1.16 0.42 0.02 0.00 0.00 175.26 175.83 2dm4 s ILE 67 N 1.15 3.95 0.40 -1.63 1.01 0.22 -4.84 121.20 121.46 2dm4 s ILE 67 Ca 0.07 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2dm4 s ILE 67 Cb -0.22 -4.82 0.08 0.00 0.01 0.00 0.00 42.46 37.50 2dm4 s ILE 67 CO -0.04 -1.68 0.55 0.29 0.00 0.00 0.00 174.94 174.06 2dm4 n LYS 68 N 8.74 0.35 -3.17 2.79 5.02 -1.26 -0.41 118.16 130.22 2dm4 n LYS 68 Ca 0.01 -1.65 -0.15 0.00 -2.02 0.00 0.00 58.31 54.50 2dm4 n LYS 68 Cb 0.48 -0.32 0.07 0.00 -0.02 0.00 0.00 35.03 35.23 2dm4 n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dm4 n ASN 69 N -2.86 -3.16 -4.79 4.39 3.02 -1.03 -4.92 115.26 105.91 2dm4 n ASN 69 Ca 0.10 -0.45 -0.28 0.00 -0.03 0.00 0.00 54.58 53.91 2dm4 n ASN 69 Cb 0.35 -3.99 -0.05 0.00 -0.61 0.00 0.00 39.78 35.48 2dm4 n ASN 69 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dm4 s LEU 70 N -5.47 2.68 -0.21 3.41 1.43 0.13 -5.05 118.68 115.60 2dm4 s LEU 70 Ca 0.15 -1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 2dm4 s LEU 70 Cb -0.07 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 2dm4 s LEU 70 CO 0.55 -0.83 0.06 -0.76 0.23 0.00 0.00 176.35 175.60 2dm4 s LEU 71 N -4.01 3.56 0.40 1.79 1.43 -1.26 -4.50 118.68 116.09 2dm4 s LEU 71 Ca 0.26 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.00 2dm4 s LEU 71 Cb 0.01 -1.92 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 2dm4 s LEU 71 CO 0.15 0.06 1.42 1.33 0.23 0.00 0.00 176.35 179.54 2dm4 n VAL 72 N 4.27 2.26 -3.39 -1.59 0.24 -1.26 -2.55 118.33 116.30 2dm4 n VAL 72 Ca -0.16 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.34 61.44 2dm4 n VAL 72 Cb 0.52 -1.84 0.07 0.00 -1.47 0.00 0.00 33.84 31.12 2dm4 n VAL 72 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dm4 n ASN 73 N 0.31 -5.31 -3.93 -1.34 3.02 -0.97 -4.84 115.26 102.21 2dm4 n ASN 73 Ca 0.03 -0.45 -0.19 0.00 -0.03 0.00 0.00 54.58 53.94 2dm4 n ASN 73 Cb 0.39 -4.28 -0.16 0.00 -0.61 0.00 0.00 39.78 35.13 2dm4 n ASN 73 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dm4 s THR 74 N -3.27 0.54 -0.02 3.41 2.01 -1.06 -4.85 115.64 112.40 2dm4 s THR 74 Ca 0.44 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 2dm4 s THR 74 Cb -0.19 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 2dm4 s THR 74 CO 0.61 0.20 1.49 -0.22 -0.69 0.00 0.00 174.62 176.01 2dm4 s LEU 75 N 0.54 4.31 -0.06 4.42 1.98 -1.26 -2.72 118.68 125.88 2dm4 s LEU 75 Ca -0.07 2.15 0.04 0.00 -2.89 0.00 0.00 54.13 53.36 2dm4 s LEU 75 Cb -0.11 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.19 2dm4 s LEU 75 CO 0.00 -0.80 -0.18 -0.31 -1.89 0.00 0.00 176.35 173.17 2dm4 s TYR 76 N 2.99 1.90 -0.21 5.38 2.02 -0.60 -1.73 117.35 127.11 2dm4 s TYR 76 Ca 0.67 -0.64 -0.07 0.00 -0.37 0.00 0.00 57.07 56.66 2dm4 s TYR 76 Cb -0.32 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 2dm4 s TYR 76 CO 0.27 -0.25 0.05 0.99 -1.57 0.00 0.00 175.55 175.04 2dm4 s THR 77 N 0.23 4.41 0.05 -0.71 2.01 -0.78 -1.85 115.64 119.00 2dm4 s THR 77 Ca -0.10 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 61.83 2dm4 s THR 77 Cb -0.14 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 2dm4 s THR 77 CO 0.04 0.41 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.46 2dm4 s VAL 78 N 0.95 1.82 -0.01 3.82 1.01 -0.51 -1.24 120.40 126.25 2dm4 s VAL 78 Ca 0.03 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2dm4 s VAL 78 Cb -0.14 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2dm4 s VAL 78 CO 0.03 0.25 0.01 0.00 0.00 0.00 0.00 175.10 175.38 2dm4 s ARG 79 N -1.22 -0.01 -0.03 2.72 1.70 0.20 -1.38 118.95 120.93 2dm4 s ARG 79 Ca 0.09 0.05 0.02 0.00 -0.47 0.00 0.00 55.73 55.42 2dm4 s ARG 79 Cb -0.09 -0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.18 2dm4 s ARG 79 CO 0.02 -0.05 -0.06 0.08 -1.08 0.00 0.00 175.30 174.21 2dm4 s VAL 80 N 0.31 3.74 -0.01 4.99 1.01 -1.26 -0.70 120.40 128.49 2dm4 s VAL 80 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2dm4 s VAL 80 Cb -0.04 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2dm4 s VAL 80 CO -0.01 0.48 -0.00 0.00 0.00 0.00 0.00 175.10 175.57 2dm4 s ALA 81 N -0.93 0.17 -0.04 5.51 0.00 -0.51 -0.62 121.76 125.34 2dm4 s ALA 81 Ca 0.15 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 2dm4 s ALA 81 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2dm4 s ALA 81 CO 0.05 -0.02 0.97 0.00 0.00 0.00 0.00 175.76 176.77 2dm4 s ALA 82 N 0.42 3.25 0.02 0.00 0.00 -1.26 -1.53 121.76 122.66 2dm4 s ALA 82 Ca -0.04 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 2dm4 s ALA 82 Cb -0.06 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2dm4 s ALA 82 CO -0.01 -0.34 0.32 0.08 0.00 0.00 0.00 175.76 175.80 2dm4 s VAL 83 N 1.32 5.22 0.31 0.00 1.01 -0.56 -2.66 120.40 125.04 2dm4 s VAL 83 Ca 0.50 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.83 2dm4 s VAL 83 Cb -0.20 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2dm4 s VAL 83 CO 0.24 0.37 0.06 0.42 0.00 0.00 0.00 175.10 176.19 2dm4 s THR 84 N -1.30 1.12 0.30 3.92 -4.23 0.53 -2.81 115.64 113.17 2dm4 s THR 84 Ca 0.28 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 2dm4 s THR 84 Cb -0.14 -2.74 0.36 0.00 1.34 0.00 0.00 72.50 71.32 2dm4 s THR 84 CO 0.16 -0.03 1.41 -0.24 -0.54 0.00 0.00 174.62 175.38 2dm4 n SER 85 N -0.64 0.04 0.22 3.99 2.88 -1.26 -0.41 113.62 118.44 2dm4 n SER 85 Ca -0.02 1.51 -0.12 0.00 -1.33 0.00 0.00 58.87 58.91 2dm4 n SER 85 Cb 0.66 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.45 2dm4 n SER 85 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dm4 h ARG 86 N 0.00 -0.58 0.00 -1.46 2.43 -1.95 -3.50 114.38 109.32 2dm4 h ARG 86 Ca 0.62 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 2dm4 h ARG 86 Cb 1.44 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 2dm4 h ARG 86 CO -0.79 -0.30 0.00 0.41 -1.51 0.00 0.00 179.97 177.78 2dm4 n GLY 87 N -0.05 -0.62 3.76 2.80 0.00 0.46 -5.14 105.19 106.40 2dm4 n GLY 87 Ca -0.09 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 2dm4 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm4 s ILE 88 N -3.65 3.57 0.00 -0.61 1.01 -1.26 -0.35 121.20 119.90 2dm4 s ILE 88 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.22 2dm4 s ILE 88 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2dm4 s ILE 88 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2dm4 n GLY 89 N 1.20 3.14 3.64 6.18 0.00 -1.09 -4.95 105.19 113.32 2dm4 n GLY 89 Ca -0.01 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 2dm4 n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dm4 n ASN 90 N 0.00 0.76 -4.75 1.61 4.13 -1.26 -4.87 115.26 110.88 2dm4 n ASN 90 Ca 0.00 0.68 -0.35 0.00 1.68 0.00 0.00 54.58 56.59 2dm4 n ASN 90 Cb 0.00 -1.44 -0.08 0.00 -1.54 0.00 0.00 39.78 36.72 2dm4 n ASN 90 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2dm4 s TRP 91 N -1.79 3.41 0.48 3.10 0.52 -1.26 -4.28 118.94 119.12 2dm4 s TRP 91 Ca 0.75 0.32 -0.23 0.00 0.02 0.00 0.00 56.10 56.96 2dm4 s TRP 91 Cb -0.34 -2.06 -0.07 0.00 -1.15 0.00 0.00 33.47 29.85 2dm4 s TRP 91 CO 0.49 0.40 1.27 -1.54 0.02 0.00 0.00 176.95 177.59 2dm4 s SER 92 N -0.10 5.85 -0.91 2.95 1.04 0.21 -4.77 113.70 117.97 2dm4 s SER 92 Ca 0.09 2.57 -0.19 0.00 0.48 0.00 0.00 55.95 58.89 2dm4 s SER 92 Cb -0.12 -2.62 -0.25 0.00 0.10 0.00 0.00 66.02 63.14 2dm4 s SER 92 CO 0.00 -1.15 2.37 0.47 0.98 0.00 0.00 173.24 175.91 2dm4 n ASP 93 N -0.55 -0.04 -4.54 7.02 9.92 -1.26 -4.47 116.55 122.64 2dm4 n ASP 93 Ca 0.08 -0.53 -0.55 0.00 -0.53 0.00 0.00 54.79 53.26 2dm4 n ASP 93 Cb 0.46 -0.94 -0.06 0.00 -0.64 0.00 0.00 41.12 39.93 2dm4 n ASP 93 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dm4 n SER 94 N 10.27 0.67 -4.78 -2.24 3.41 -1.26 -4.96 113.62 114.73 2dm4 n SER 94 Ca 0.61 1.14 -0.23 0.00 -0.26 0.00 0.00 58.87 60.13 2dm4 n SER 94 Cb 0.21 -1.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.05 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dm4 s LYS 95 N 0.07 2.42 0.13 4.33 -0.14 -0.48 -4.94 119.74 121.13 2dm4 s LYS 95 Ca 0.85 -1.56 0.07 0.00 -1.36 0.00 0.00 55.97 53.96 2dm4 s LYS 95 Cb -1.09 -2.22 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 2dm4 s LYS 95 CO 0.53 0.01 -0.16 -1.54 -0.76 0.00 0.00 175.35 173.43 2dm4 s SER 96 N -3.93 2.21 -0.28 2.83 1.04 -1.26 -1.42 113.70 112.89 2dm4 s SER 96 Ca 0.41 -0.79 -0.19 0.00 0.48 0.00 0.00 55.95 55.85 2dm4 s SER 96 Cb -0.02 -0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.08 2dm4 s SER 96 CO 0.24 -0.09 0.71 -0.51 0.98 0.00 0.00 173.24 174.58 2dm4 s ILE 97 N -1.94 0.00 -0.36 -1.02 2.07 -0.77 -4.98 121.20 114.21 2dm4 s ILE 97 Ca 0.10 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.15 2dm4 s ILE 97 Cb -0.06 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.53 2dm4 s ILE 97 CO 0.04 0.00 0.53 -0.89 -1.91 0.00 0.00 174.94 172.71 2dm4 s THR 98 N 1.18 5.00 1.26 4.00 2.01 -1.26 -1.56 115.64 126.27 2dm4 s THR 98 Ca -0.06 0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 2dm4 s THR 98 Cb -0.05 -3.99 0.31 0.00 0.01 0.00 0.00 72.50 68.78 2dm4 s THR 98 CO -0.13 -0.25 1.00 0.42 -0.69 0.00 0.00 174.62 174.97 2dm4 s THR 99 N 2.44 1.69 0.06 -0.82 -4.23 -1.10 -4.84 115.64 108.83 2dm4 s THR 99 Ca 0.19 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.73 2dm4 s THR 99 Cb -0.15 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 2dm4 s THR 99 CO 0.14 0.00 -0.10 0.27 -0.54 0.00 0.00 174.62 174.39 2dm4 s ILE 100 N -2.46 0.77 -0.74 2.99 -4.36 -1.26 -2.29 121.20 113.84 2dm4 s ILE 100 Ca 0.68 -1.28 0.02 0.00 -0.26 0.00 0.00 60.65 59.82 2dm4 s ILE 100 Cb -0.19 -0.91 0.16 0.00 1.25 0.00 0.00 42.46 42.76 2dm4 s ILE 100 CO 0.61 -0.39 0.81 1.17 0.24 0.00 0.00 174.94 177.38 2dm4 n LYS 101 N 1.19 1.69 0.00 0.37 4.81 -1.26 -4.45 118.16 120.51 2dm4 n LYS 101 Ca -0.21 -0.62 0.00 0.00 -0.87 0.00 0.00 58.31 56.62 2dm4 n LYS 101 Cb 0.55 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 34.01 2dm4 n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dm4 n GLY 102 N 0.13 -0.63 3.28 3.14 0.00 -1.26 -5.03 105.19 104.82 2dm4 n GLY 102 Ca 0.06 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 2dm4 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm4 s SER 103 N -1.54 3.40 0.00 1.61 0.15 -1.26 -4.93 113.70 111.13 2dm4 s SER 103 Ca 0.00 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2dm4 s SER 103 Cb 0.00 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 2dm4 s SER 103 CO 0.00 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2dm4 n GLY 104 N 3.37 -0.15 3.62 9.45 0.00 -1.26 -5.09 105.19 115.14 2dm4 n GLY 104 Ca -0.18 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2dm4 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm4 s PRO 105 N 0.00 3.70 -0.21 1.61 0.04 -1.26 -4.97 135.00 133.90 2dm4 s PRO 105 Ca 0.00 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 2dm4 s PRO 105 Cb 0.00 -4.06 0.06 0.00 0.04 0.00 0.00 34.50 30.54 2dm4 s PRO 105 CO 0.00 -1.41 0.55 -1.54 0.04 0.00 0.00 177.00 174.63 2dm4 s SER 106 N 4.53 -0.62 -0.29 6.66 1.04 -1.26 -5.08 113.70 118.68 2dm4 s SER 106 Ca 0.72 1.13 -0.05 0.00 0.48 0.00 0.00 55.95 58.23 2dm4 s SER 106 Cb -0.24 1.10 0.02 0.00 0.10 0.00 0.00 66.02 67.01 2dm4 s SER 106 CO 0.30 -0.20 0.04 -0.94 0.98 0.00 0.00 173.24 173.42 2dm4 s SER 107 N 0.66 4.93 0.00 7.02 1.04 -1.26 -5.29 113.70 120.79 2dm4 s SER 107 Ca -0.03 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2dm4 s SER 107 Cb -0.05 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2dm4 s SER 107 CO -0.04 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.59