#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 4.23 -1.06 1.61 0.01 -1.26 -5.06 113.70 112.17 2dm4 s SER 2 Ca 0.00 -1.36 -0.19 0.00 1.31 0.00 0.00 55.95 55.71 2dm4 s SER 2 Cb 0.00 -1.40 0.11 0.00 0.21 0.00 0.00 66.02 64.94 2dm4 s SER 2 CO 0.00 -0.22 1.36 -0.55 0.41 0.00 0.00 173.24 174.24 2dm4 s SER 3 N 1.21 6.71 0.00 2.44 0.15 -1.26 -4.69 113.70 118.26 2dm4 s SER 3 Ca -0.06 -2.13 0.00 0.00 0.70 0.00 0.00 55.95 54.46 2dm4 s SER 3 Cb -0.19 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2dm4 s SER 3 CO -0.06 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 173.85 2dm4 n GLY 4 N 5.59 0.00 2.88 9.45 0.00 -1.26 -5.00 105.19 116.85 2dm4 n GLY 4 Ca 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 2dm4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 5 N -0.91 0.41 0.15 1.61 1.04 -1.26 -5.13 113.70 109.61 2dm4 s SER 5 Ca 0.00 -0.05 -0.31 0.00 0.48 0.00 0.00 55.95 56.07 2dm4 s SER 5 Cb 0.00 -0.13 -0.09 0.00 0.10 0.00 0.00 66.02 65.91 2dm4 s SER 5 CO 0.00 -0.02 1.41 -0.55 0.98 0.00 0.00 173.24 175.06 2dm4 s SER 6 N 0.39 6.78 -0.15 7.02 0.15 -1.26 -4.82 113.70 121.82 2dm4 s SER 6 Ca -0.04 2.42 -0.27 0.00 0.70 0.00 0.00 55.95 58.77 2dm4 s SER 6 Cb -0.07 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.71 2dm4 s SER 6 CO -0.01 -0.66 0.67 -0.83 1.20 0.00 0.00 173.24 173.61 2dm4 s GLY 7 N 0.87 -0.53 0.44 9.45 0.00 -1.26 -5.03 107.32 111.26 2dm4 s GLY 7 Ca 0.63 1.58 0.23 0.00 0.00 0.00 0.00 44.72 47.16 2dm4 s GLY 7 CO 0.33 1.27 1.87 -0.56 0.00 0.00 0.00 173.10 176.02 2dm4 h PRO 8 N 4.05 0.00 -1.26 2.90 0.13 -1.95 -3.20 132.00 132.67 2dm4 h PRO 8 Ca -0.28 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.30 2dm4 h PRO 8 Cb 1.15 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 2dm4 h PRO 8 CO 0.23 0.24 0.77 0.22 -0.23 0.00 0.00 178.00 179.24 2dm4 h ASP 9 N 0.00 0.25 -4.30 1.44 3.58 -1.94 -3.28 116.42 112.18 2dm4 h ASP 9 Ca -0.00 0.19 -0.50 0.00 0.42 0.00 0.00 57.03 57.13 2dm4 h ASP 9 Cb 0.67 0.19 0.06 0.00 1.72 0.00 0.00 39.33 41.97 2dm4 h ASP 9 CO 0.03 -0.30 0.38 0.00 -2.88 0.00 0.00 179.24 176.47 2dm4 s ALA 10 N -5.35 3.07 1.24 -0.78 0.00 -1.21 -4.43 121.76 114.29 2dm4 s ALA 10 Ca -0.08 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 2dm4 s ALA 10 Cb 0.32 -3.00 0.29 0.00 0.00 0.00 0.00 23.12 20.73 2dm4 s ALA 10 CO 0.81 -0.82 1.02 -0.35 0.00 0.00 0.00 175.76 176.42 2dm4 n PRO 11 N -2.79 -3.02 -4.07 0.00 -0.04 -1.26 -4.20 135.00 119.62 2dm4 n PRO 11 Ca 0.06 -1.63 -0.12 0.00 -0.04 0.00 0.00 63.50 61.77 2dm4 n PRO 11 Cb 0.55 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 2dm4 n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dm4 s ARG 12 N -5.32 1.67 -1.17 0.54 0.52 -0.96 -4.72 118.95 109.52 2dm4 s ARG 12 Ca 0.66 -1.54 -0.04 0.00 -0.52 0.00 0.00 55.73 54.30 2dm4 s ARG 12 Cb -0.07 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 2dm4 s ARG 12 CO 0.51 -0.68 0.89 0.09 0.02 0.00 0.00 175.30 176.13 2dm4 n ASN 13 N -0.84 -3.58 -4.60 0.23 3.02 -1.26 0.69 115.26 108.91 2dm4 n ASN 13 Ca -0.00 -0.72 -0.43 0.00 -0.03 0.00 0.00 54.58 53.40 2dm4 n ASN 13 Cb 0.62 -4.79 -0.02 0.00 -0.61 0.00 0.00 39.78 34.98 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 3.57 -0.23 3.41 2.96 -1.26 -4.13 118.68 116.87 2dm4 s LEU 14 Ca 0.18 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.85 2dm4 s LEU 14 Cb -0.03 -3.50 0.06 0.00 0.50 0.00 0.00 46.19 43.21 2dm4 s LEU 14 CO 0.76 -1.44 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.19 2dm4 s GLN 15 N 4.95 1.60 -0.12 1.98 -1.52 -0.72 -4.94 119.66 120.88 2dm4 s GLN 15 Ca 0.59 -0.94 -0.19 0.00 -1.95 0.00 0.00 55.36 52.87 2dm4 s GLN 15 Cb -0.13 -2.54 -0.04 0.00 -0.22 0.00 0.00 33.01 30.08 2dm4 s GLN 15 CO 0.32 -0.59 0.53 -0.51 -0.25 0.00 0.00 175.29 174.80 2dm4 s LEU 16 N 1.42 4.27 0.00 2.90 2.01 -1.26 -1.70 118.68 126.32 2dm4 s LEU 16 Ca -0.05 0.88 0.03 0.00 0.01 0.00 0.00 54.13 55.00 2dm4 s LEU 16 Cb -0.19 -2.78 -0.01 0.00 0.01 0.00 0.00 46.19 43.22 2dm4 s LEU 16 CO -0.06 -0.05 0.12 -1.54 1.01 0.00 0.00 176.35 175.83 2dm4 n SER 17 N 3.83 1.69 -4.12 2.29 3.41 0.23 -4.95 113.62 116.00 2dm4 n SER 17 Ca -0.05 -3.23 -0.23 0.00 -0.26 0.00 0.00 58.87 55.10 2dm4 n SER 17 Cb 0.51 0.91 -0.15 0.00 -0.26 0.00 0.00 64.21 65.22 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 2.02 0.08 1.04 1.02 -1.26 0.73 118.68 122.32 2dm4 s LEU 18 Ca 0.17 -0.27 -0.31 0.00 0.02 0.00 0.00 54.13 53.74 2dm4 s LEU 18 Cb 0.01 -0.78 -0.07 0.00 0.02 0.00 0.00 46.19 45.37 2dm4 s LEU 18 CO 0.12 0.18 1.38 -2.16 0.02 0.00 0.00 176.35 175.90 2dm4 s PRO 19 N -0.34 4.32 0.00 1.29 0.04 -1.26 -4.89 135.00 134.16 2dm4 s PRO 19 Ca 0.06 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.30 2dm4 s PRO 19 Cb -0.06 -3.34 1.04 0.00 0.04 0.00 0.00 34.50 32.18 2dm4 s PRO 19 CO -0.01 -0.46 1.45 2.89 0.04 0.00 0.00 177.00 180.91 2dm4 n ARG 20 N 4.31 0.59 -1.14 4.56 1.85 -1.26 -2.40 116.66 123.17 2dm4 n ARG 20 Ca 0.12 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 57.01 2dm4 n ARG 20 Cb 0.43 -1.46 0.06 0.00 -1.05 0.00 0.00 32.46 30.44 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 -0.96 0.39 -3.65 2.89 1.02 -1.26 -4.87 120.64 114.19 2dm4 n GLU 21 Ca 0.13 -2.19 -0.08 0.00 -0.02 0.00 0.00 57.16 55.00 2dm4 n GLU 21 Cb 0.06 -0.46 -0.08 0.00 -0.02 0.00 0.00 31.44 30.94 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm4 s ALA 22 N -0.80 -1.71 0.08 0.62 0.00 -1.01 -5.17 121.76 113.77 2dm4 s ALA 22 Ca 0.31 2.24 0.01 0.00 0.00 0.00 0.00 51.96 54.51 2dm4 s ALA 22 Cb 0.34 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2dm4 s ALA 22 CO -0.12 -0.36 0.22 -1.21 0.00 0.00 0.00 175.76 174.29 2dm4 s GLU 23 N 1.55 3.42 -1.75 0.00 2.02 -1.26 -4.34 118.70 118.35 2dm4 s GLU 23 Ca -0.10 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.41 2dm4 s GLU 23 Cb -0.06 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.16 2dm4 s GLU 23 CO -0.18 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.10 2dm4 n GLY 24 N 0.11 0.56 3.16 -1.39 0.00 -1.26 -4.77 105.19 101.60 2dm4 n GLY 24 Ca -0.06 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.82 1.51 -0.20 1.61 1.01 -1.26 -0.36 120.40 119.89 2dm4 s VAL 25 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2dm4 s VAL 25 Cb 0.00 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.13 2dm4 s VAL 25 CO 0.00 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 2dm4 s ILE 26 N -0.13 1.91 -0.60 2.22 1.01 0.10 -4.15 121.20 121.55 2dm4 s ILE 26 Ca -0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 2dm4 s ILE 26 Cb -0.10 -1.87 0.08 0.00 0.01 0.00 0.00 42.46 40.58 2dm4 s ILE 26 CO 0.01 0.29 0.80 -0.69 0.00 0.00 0.00 174.94 175.36 2dm4 s VAL 27 N 1.30 4.62 -0.04 2.92 1.01 0.22 -1.04 120.40 129.39 2dm4 s VAL 27 Ca -0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 2dm4 s VAL 27 Cb -0.16 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 2dm4 s VAL 27 CO -0.10 -1.21 0.63 -0.83 0.00 0.00 0.00 175.10 173.60 2dm4 s GLY 28 N 3.49 2.60 0.28 4.51 0.00 -0.51 -0.60 107.32 117.09 2dm4 s GLY 28 Ca 0.17 0.06 0.10 0.00 0.00 0.00 0.00 44.72 45.05 2dm4 s GLY 28 CO 0.09 0.95 -0.16 0.30 0.00 0.00 0.00 173.10 174.27 2dm4 s HIS 29 N 0.30 2.17 0.27 1.90 3.76 -0.69 -0.98 115.29 122.04 2dm4 s HIS 29 Ca 0.33 -0.43 -0.20 0.00 -0.15 0.00 0.00 55.06 54.62 2dm4 s HIS 29 Cb -0.18 -1.02 0.06 0.00 1.11 0.00 0.00 32.58 32.55 2dm4 s HIS 29 CO 0.17 0.60 0.89 1.67 -0.85 0.00 0.00 174.74 177.22 2dm4 s TRP 30 N -2.65 0.03 0.31 1.40 -2.14 -0.85 -1.76 118.94 113.27 2dm4 s TRP 30 Ca 0.29 -0.54 0.10 0.00 2.66 0.00 0.00 56.10 58.61 2dm4 s TRP 30 Cb -0.02 0.75 -0.05 0.00 -3.10 0.00 0.00 33.47 31.04 2dm4 s TRP 30 CO 0.13 -1.21 -0.08 0.00 -2.66 0.00 0.00 176.95 173.13 2dm4 s ALA 31 N -2.59 3.00 0.56 2.67 0.00 0.22 -4.77 121.76 120.85 2dm4 s ALA 31 Ca 0.17 -1.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.02 2dm4 s ALA 31 Cb -0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2dm4 s ALA 31 CO 0.08 0.17 1.13 -1.25 0.00 0.00 0.00 175.76 175.88 2dm4 s PRO 32 N -3.62 3.29 0.51 0.00 0.04 -1.26 -2.26 135.00 131.70 2dm4 s PRO 32 Ca 0.32 1.58 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 2dm4 s PRO 32 Cb -0.02 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2dm4 s PRO 32 CO 0.17 -0.90 1.14 -1.25 0.04 0.00 0.00 177.00 176.21 2dm4 s PRO 33 N -3.39 3.51 0.05 0.56 0.04 -1.26 -4.57 135.00 129.94 2dm4 s PRO 33 Ca 0.72 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 63.16 2dm4 s PRO 33 Cb -0.23 -2.16 -0.17 0.00 0.04 0.00 0.00 34.50 31.98 2dm4 s PRO 33 CO 0.29 -0.73 1.48 0.82 0.04 0.00 0.00 177.00 178.90 2dm4 h ILE 34 N 1.46 0.72 -2.92 0.56 2.04 -1.81 -3.44 117.51 114.12 2dm4 h ILE 34 Ca -0.50 -0.31 -0.26 0.00 1.00 0.00 0.00 64.86 64.79 2dm4 h ILE 34 Cb 1.26 0.89 -0.34 0.00 -0.74 0.00 0.00 36.82 37.89 2dm4 h ILE 34 CO 0.58 0.06 -0.59 -2.28 0.00 0.00 0.00 178.15 175.93 2dm4 s HIS 35 N -5.43 -0.30 0.17 1.37 5.04 -1.26 -5.07 115.29 109.81 2dm4 s HIS 35 Ca -0.15 0.73 0.06 0.00 -1.54 0.00 0.00 55.06 54.15 2dm4 s HIS 35 Cb 0.03 -0.17 -0.04 0.00 0.04 0.00 0.00 32.58 32.44 2dm4 s HIS 35 CO 0.61 -0.35 0.09 0.95 -2.34 0.00 0.00 174.74 173.70 2dm4 s THR 36 N 2.35 4.26 0.19 0.89 -4.23 -1.26 -3.35 115.64 114.50 2dm4 s THR 36 Ca 0.03 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.25 2dm4 s THR 36 Cb -0.12 -3.16 0.11 0.00 1.34 0.00 0.00 72.50 70.66 2dm4 s THR 36 CO -0.08 -0.10 1.78 -0.74 -0.54 0.00 0.00 174.62 174.94 2dm4 h HIS 37 N 2.52 0.49 -4.07 3.99 2.76 -2.00 -3.46 115.15 115.38 2dm4 h HIS 37 Ca -0.47 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 57.46 2dm4 h HIS 37 Cb 1.20 -0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.95 2dm4 h HIS 37 CO 0.59 0.21 -0.17 0.20 -1.30 0.00 0.00 177.93 177.46 2dm4 s GLY 38 N -2.94 1.42 -0.14 5.26 0.00 -1.26 -5.11 107.32 104.54 2dm4 s GLY 38 Ca -0.13 -1.47 -0.40 0.00 0.00 0.00 0.00 44.72 42.72 2dm4 s GLY 38 CO 0.74 -0.97 1.50 -0.10 0.00 0.00 0.00 173.10 174.28 2dm4 n LEU 39 N -0.56 1.68 -4.60 0.66 7.94 -1.26 -4.83 117.00 116.03 2dm4 n LEU 39 Ca 0.00 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.59 2dm4 n LEU 39 Cb 0.61 -1.10 -0.02 0.00 0.53 0.00 0.00 43.42 43.44 2dm4 n LEU 39 CO 0.29 -0.88 1.28 -0.63 -1.11 0.00 0.00 177.39 176.34 2dm4 s ILE 40 N 1.95 3.83 0.08 1.96 1.01 -1.26 -3.95 121.20 124.82 2dm4 s ILE 40 Ca 0.93 0.82 -0.18 0.00 0.00 0.00 0.00 60.65 62.22 2dm4 s ILE 40 Cb -1.11 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 37.11 2dm4 s ILE 40 CO 0.60 -0.77 1.48 0.03 0.00 0.00 0.00 174.94 176.28 2dm4 h ARG 41 N 11.10 0.45 -1.93 2.79 3.08 -1.62 -3.48 114.38 124.76 2dm4 h ARG 41 Ca -0.28 -0.17 0.28 0.00 0.07 0.00 0.00 59.98 59.88 2dm4 h ARG 41 Cb 1.11 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 31.05 2dm4 h ARG 41 CO 1.09 0.67 0.75 -1.83 -1.07 0.00 0.00 179.97 179.58 2dm4 s GLU 42 N -4.80 0.69 -0.17 0.04 1.03 -1.24 -5.04 118.70 109.21 2dm4 s GLU 42 Ca -0.14 -0.41 0.01 0.00 0.03 0.00 0.00 54.97 54.47 2dm4 s GLU 42 Cb 0.07 0.21 0.01 0.00 -0.80 0.00 0.00 34.13 33.63 2dm4 s GLU 42 CO 0.76 -0.32 -0.19 0.71 -1.33 0.00 0.00 175.26 174.88 2dm4 s TYR 43 N -2.43 2.75 0.11 4.83 1.51 -1.20 -0.17 117.35 122.74 2dm4 s TYR 43 Ca 0.19 -1.45 -0.10 0.00 -1.01 0.00 0.00 57.07 54.69 2dm4 s TYR 43 Cb 0.01 -1.89 -0.06 0.00 -0.11 0.00 0.00 41.96 39.91 2dm4 s TYR 43 CO -0.01 -0.70 0.43 -1.50 -1.11 0.00 0.00 175.55 172.67 2dm4 s ILE 44 N 1.09 5.06 -0.11 2.71 2.07 -0.15 -0.21 121.20 131.65 2dm4 s ILE 44 Ca -0.00 0.46 0.03 0.00 -1.41 0.00 0.00 60.65 59.73 2dm4 s ILE 44 Cb -0.14 -3.65 0.01 0.00 0.13 0.00 0.00 42.46 38.80 2dm4 s ILE 44 CO -0.07 0.23 -0.20 0.68 -1.91 0.00 0.00 174.94 173.67 2dm4 s VAL 45 N -1.46 1.85 -0.13 4.00 -7.23 0.38 -0.53 120.40 117.28 2dm4 s VAL 45 Ca 0.35 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 2dm4 s VAL 45 Cb -0.14 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.17 2dm4 s VAL 45 CO 0.19 0.51 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.69 2dm4 s GLU 46 N 0.71 3.15 0.10 4.82 8.01 0.58 -1.86 118.70 134.20 2dm4 s GLU 46 Ca -0.11 -0.81 0.04 0.00 0.01 0.00 0.00 54.97 54.10 2dm4 s GLU 46 Cb -0.16 -2.46 -0.03 0.00 -4.31 0.00 0.00 34.13 27.16 2dm4 s GLU 46 CO 0.02 0.11 -0.11 1.52 0.01 0.00 0.00 175.26 176.81 2dm4 s TYR 47 N 0.54 1.12 -0.27 1.61 1.13 -0.82 -0.88 117.35 119.78 2dm4 s TYR 47 Ca -0.12 -0.61 -0.20 0.00 -1.41 0.00 0.00 57.07 54.74 2dm4 s TYR 47 Cb -0.17 -0.61 0.07 0.00 -1.10 0.00 0.00 41.96 40.16 2dm4 s TYR 47 CO 0.04 0.03 0.69 0.45 -2.51 0.00 0.00 175.55 174.25 2dm4 s SER 48 N -2.33 -0.85 0.18 -0.18 0.15 -0.72 -1.10 113.70 108.86 2dm4 s SER 48 Ca 0.04 1.47 -0.32 0.00 0.70 0.00 0.00 55.95 57.84 2dm4 s SER 48 Cb -0.04 1.40 -0.11 0.00 -1.71 0.00 0.00 66.02 65.56 2dm4 s SER 48 CO 0.01 -0.24 1.61 -0.60 1.20 0.00 0.00 173.24 175.22 2dm4 s ARG 49 N 1.08 4.19 -0.91 5.44 3.52 -1.26 -2.35 118.95 128.66 2dm4 s ARG 49 Ca -0.06 2.44 -0.15 0.00 -0.13 0.00 0.00 55.73 57.83 2dm4 s ARG 49 Cb -0.05 -3.13 -0.26 0.00 -1.56 0.00 0.00 34.95 29.95 2dm4 s ARG 49 CO -0.11 -0.65 2.22 0.45 -0.81 0.00 0.00 175.30 176.40 2dm4 n SER 50 N 3.96 -0.34 0.00 -2.12 2.88 -1.17 -2.75 113.62 114.07 2dm4 n SER 50 Ca 0.14 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 2dm4 n SER 50 Cb 0.37 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2dm4 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 51 N 5.93 0.33 3.56 0.46 0.00 -1.26 -5.03 105.19 109.17 2dm4 n GLY 51 Ca 0.59 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2dm4 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 52 N 0.00 -0.49 -0.27 1.61 1.04 -1.11 -5.03 113.70 109.45 2dm4 s SER 52 Ca 0.00 0.54 0.13 0.00 0.48 0.00 0.00 55.95 57.10 2dm4 s SER 52 Cb 0.00 0.42 0.76 0.00 0.10 0.00 0.00 66.02 67.30 2dm4 s SER 52 CO 0.00 -0.44 1.74 0.29 0.98 0.00 0.00 173.24 175.81 2dm4 n LYS 53 N 0.84 4.21 -3.94 4.02 5.02 -1.26 -4.85 118.16 122.20 2dm4 n LYS 53 Ca -0.14 -3.12 -0.30 0.00 -2.02 0.00 0.00 58.31 52.74 2dm4 n LYS 53 Cb 0.57 -2.21 -0.16 0.00 -0.02 0.00 0.00 35.03 33.22 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 -2.88 1.72 -0.21 1.97 -1.94 -1.26 -5.11 119.30 111.59 2dm4 s MET 54 Ca 0.54 -0.73 -0.05 0.00 -1.71 0.00 0.00 55.69 53.74 2dm4 s MET 54 Cb 0.42 -2.28 -0.02 0.00 2.01 0.00 0.00 34.83 34.96 2dm4 s MET 54 CO 0.14 -0.46 0.00 -1.58 -0.01 0.00 0.00 175.02 173.12 2dm4 s TRP 55 N 1.50 3.04 -0.18 -0.03 0.52 -1.26 -4.69 118.94 117.83 2dm4 s TRP 55 Ca -0.01 -0.48 -0.26 0.00 0.02 0.00 0.00 56.10 55.36 2dm4 s TRP 55 Cb -0.16 -2.10 -0.01 0.00 -1.15 0.00 0.00 33.47 30.05 2dm4 s TRP 55 CO -0.08 -0.27 0.90 0.00 0.02 0.00 0.00 176.95 177.52 2dm4 s ALA 56 N 1.07 3.55 -0.04 0.98 0.00 -0.26 -4.85 121.76 122.21 2dm4 s ALA 56 Ca 0.02 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2dm4 s ALA 56 Cb -0.14 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2dm4 s ALA 56 CO 0.02 -0.76 -0.04 -1.54 0.00 0.00 0.00 175.76 173.44 2dm4 s SER 57 N 1.18 4.88 -0.08 0.00 1.04 -1.26 -1.95 113.70 117.51 2dm4 s SER 57 Ca 0.40 -0.01 -0.20 0.00 0.48 0.00 0.00 55.95 56.62 2dm4 s SER 57 Cb -0.16 -1.25 0.05 0.00 0.10 0.00 0.00 66.02 64.75 2dm4 s SER 57 CO 0.11 0.33 0.48 0.00 0.98 0.00 0.00 173.24 175.14 2dm4 s GLN 58 N -1.15 0.75 0.27 4.02 -2.07 -0.78 -4.98 119.66 115.73 2dm4 s GLN 58 Ca 0.15 0.25 -0.24 0.00 -1.82 0.00 0.00 55.36 53.70 2dm4 s GLN 58 Cb -0.11 0.35 -0.09 0.00 -1.09 0.00 0.00 33.01 32.07 2dm4 s GLN 58 CO 0.05 -0.19 0.86 1.03 -1.32 0.00 0.00 175.29 175.73 2dm4 s ARG 59 N -0.74 4.50 -0.15 9.60 3.00 -1.26 -0.47 118.95 133.42 2dm4 s ARG 59 Ca -0.08 1.18 0.00 0.00 0.00 0.00 0.00 55.73 56.83 2dm4 s ARG 59 Cb -0.03 -2.89 0.03 0.00 0.00 0.00 0.00 34.95 32.05 2dm4 s ARG 59 CO 0.05 0.35 -0.12 0.00 0.00 0.00 0.00 175.30 175.58 2dm4 s ALA 60 N -1.52 1.76 0.07 2.13 0.00 0.70 -4.91 121.76 119.99 2dm4 s ALA 60 Ca 0.46 -0.88 -0.34 0.00 0.00 0.00 0.00 51.96 51.20 2dm4 s ALA 60 Cb -0.19 -1.07 -0.18 0.00 0.00 0.00 0.00 23.12 21.68 2dm4 s ALA 60 CO 0.24 -0.48 1.60 0.00 0.00 0.00 0.00 175.76 177.12 2dm4 h ALA 61 N 8.07 -1.04 -4.44 0.00 0.00 -1.84 -3.17 119.26 116.84 2dm4 h ALA 61 Ca -0.34 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.12 2dm4 h ALA 61 Cb 1.13 0.46 0.05 0.00 0.00 0.00 0.00 17.79 19.43 2dm4 h ALA 61 CO 0.49 -1.09 0.08 0.43 0.00 0.00 0.00 179.25 179.16 2dm4 n SER 62 N -5.54 0.60 -1.86 0.00 7.64 -1.26 -4.78 113.62 108.41 2dm4 n SER 62 Ca -0.14 -1.53 -0.10 0.00 1.01 0.00 0.00 58.87 58.11 2dm4 n SER 62 Cb 0.43 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dm4 n ASN 63 N -3.03 5.55 -3.59 6.43 4.13 -1.26 -4.80 115.26 118.69 2dm4 n ASN 63 Ca 0.08 -2.60 -0.05 0.00 1.68 0.00 0.00 54.58 53.70 2dm4 n ASN 63 Cb 0.30 -1.26 -0.02 0.00 -1.54 0.00 0.00 39.78 37.27 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 0.04 -0.19 0.17 3.10 -0.71 -1.26 -2.01 117.98 117.12 2dm4 s PHE 64 Ca 0.38 0.06 -0.13 0.00 -1.04 0.00 0.00 56.93 56.20 2dm4 s PHE 64 Cb 0.20 0.55 0.01 0.00 -1.21 0.00 0.00 43.02 42.57 2dm4 s PHE 64 CO -0.03 -0.44 0.38 -0.08 -1.34 0.00 0.00 175.22 173.72 2dm4 s THR 65 N -2.81 0.05 -0.29 -4.49 -1.32 -0.15 -4.65 115.64 101.99 2dm4 s THR 65 Ca 0.09 -1.10 0.02 0.00 -1.21 0.00 0.00 61.69 59.49 2dm4 s THR 65 Cb -0.00 -1.69 0.08 0.00 -1.51 0.00 0.00 72.50 69.39 2dm4 s THR 65 CO -0.05 -0.24 0.01 -1.61 -2.21 0.00 0.00 174.62 170.52 2dm4 s GLU 66 N -3.92 1.43 -0.63 7.08 2.02 -1.26 -1.42 118.70 122.00 2dm4 s GLU 66 Ca 0.13 -1.34 -0.21 0.00 0.02 0.00 0.00 54.97 53.56 2dm4 s GLU 66 Cb 0.02 -2.69 0.08 0.00 0.10 0.00 0.00 34.13 31.63 2dm4 s GLU 66 CO -0.02 -0.80 0.87 0.42 0.02 0.00 0.00 175.26 175.75 2dm4 s ILE 67 N 1.25 4.50 0.66 -1.63 1.01 -0.21 -4.91 121.20 121.87 2dm4 s ILE 67 Ca 0.03 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.18 2dm4 s ILE 67 Cb -0.19 -4.60 0.13 0.00 0.01 0.00 0.00 42.46 37.81 2dm4 s ILE 67 CO -0.11 -1.31 0.91 0.29 0.00 0.00 0.00 174.94 174.72 2dm4 n LYS 68 N 7.22 0.08 -3.08 2.79 5.02 -1.26 -0.73 118.16 128.19 2dm4 n LYS 68 Ca -0.05 -2.68 -0.13 0.00 -2.02 0.00 0.00 58.31 53.43 2dm4 n LYS 68 Cb 0.45 -0.54 0.07 0.00 -0.02 0.00 0.00 35.03 34.98 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 -2.79 -2.79 -4.62 4.39 3.02 -1.15 -4.93 115.26 106.39 2dm4 n ASN 69 Ca 0.16 -0.51 -0.28 0.00 -0.03 0.00 0.00 54.58 53.92 2dm4 n ASN 69 Cb 0.57 -4.19 -0.11 0.00 -0.61 0.00 0.00 39.78 35.44 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 -5.34 2.80 -0.25 3.41 1.43 0.51 -5.05 118.68 116.19 2dm4 s LEU 70 Ca 0.08 -1.39 -0.10 0.00 -1.03 0.00 0.00 54.13 51.69 2dm4 s LEU 70 Cb -0.01 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 2dm4 s LEU 70 CO 0.58 -0.49 0.14 -0.76 0.23 0.00 0.00 176.35 176.06 2dm4 s LEU 71 N -3.71 3.90 0.62 1.79 1.43 -1.26 -4.47 118.68 116.99 2dm4 s LEU 71 Ca 0.33 -0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 2dm4 s LEU 71 Cb 0.09 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2dm4 s LEU 71 CO 0.17 0.00 1.21 1.33 0.23 0.00 0.00 176.35 179.30 2dm4 n VAL 72 N 4.69 4.46 -3.54 -1.59 0.24 -1.26 -3.10 118.33 118.23 2dm4 n VAL 72 Ca -0.15 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.45 2dm4 n VAL 72 Cb 0.52 -1.42 0.07 0.00 -1.47 0.00 0.00 33.84 31.54 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 -1.46 -2.73 -3.81 -1.34 3.02 -1.00 -4.84 115.26 103.10 2dm4 n ASN 73 Ca 0.15 -0.66 -0.13 0.00 -0.03 0.00 0.00 54.58 53.91 2dm4 n ASN 73 Cb 0.47 -4.82 -0.14 0.00 -0.61 0.00 0.00 39.78 34.68 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 -3.42 -0.02 0.28 3.41 2.01 -1.18 -4.85 115.64 111.87 2dm4 s THR 74 Ca 0.13 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.90 2dm4 s THR 74 Cb -0.06 -0.17 -0.10 0.00 0.01 0.00 0.00 72.50 72.18 2dm4 s THR 74 CO 0.75 0.02 1.20 -0.22 -0.69 0.00 0.00 174.62 175.69 2dm4 s LEU 75 N 0.40 4.48 -0.02 4.42 1.98 -1.26 -1.57 118.68 127.11 2dm4 s LEU 75 Ca -0.03 2.42 -0.00 0.00 -2.89 0.00 0.00 54.13 53.63 2dm4 s LEU 75 Cb -0.04 -3.63 0.03 0.00 0.66 0.00 0.00 46.19 43.21 2dm4 s LEU 75 CO -0.02 -0.34 0.03 -0.31 -1.89 0.00 0.00 176.35 173.82 2dm4 s TYR 76 N -0.90 0.06 -0.32 5.38 1.51 -0.32 -3.02 117.35 119.74 2dm4 s TYR 76 Ca 0.48 0.13 -0.13 0.00 -1.01 0.00 0.00 57.07 56.54 2dm4 s TYR 76 Cb -0.35 -0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 41.18 2dm4 s TYR 76 CO 0.44 -0.11 0.26 0.99 -1.11 0.00 0.00 175.55 176.02 2dm4 s THR 77 N 1.23 5.27 0.28 -0.71 2.01 -0.99 -1.38 115.64 121.34 2dm4 s THR 77 Ca -0.07 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 61.97 2dm4 s THR 77 Cb -0.13 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2dm4 s THR 77 CO -0.03 0.04 0.04 -0.69 -0.69 0.00 0.00 174.62 173.29 2dm4 s VAL 78 N 1.80 3.44 -0.28 3.82 1.01 -0.61 -1.75 120.40 127.82 2dm4 s VAL 78 Ca 0.08 -1.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.02 2dm4 s VAL 78 Cb -0.17 -2.91 0.09 0.00 0.00 0.00 0.00 36.38 33.40 2dm4 s VAL 78 CO 0.11 -0.34 0.79 0.00 0.00 0.00 0.00 175.10 175.66 2dm4 s ARG 79 N -3.72 0.66 0.10 2.72 1.70 -0.05 -2.16 118.95 118.20 2dm4 s ARG 79 Ca 0.33 0.98 0.04 0.00 -0.47 0.00 0.00 55.73 56.61 2dm4 s ARG 79 Cb -0.06 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 2dm4 s ARG 79 CO 0.21 -0.11 0.03 0.08 -1.08 0.00 0.00 175.30 174.43 2dm4 s VAL 80 N 1.04 4.20 -0.02 4.99 1.01 -1.26 -0.31 120.40 130.05 2dm4 s VAL 80 Ca -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2dm4 s VAL 80 Cb -0.05 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.32 2dm4 s VAL 80 CO -0.11 0.09 0.04 0.00 0.00 0.00 0.00 175.10 175.12 2dm4 s ALA 81 N -1.39 -0.07 -0.24 5.51 0.00 0.31 -1.65 121.76 124.22 2dm4 s ALA 81 Ca 0.27 0.19 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 2dm4 s ALA 81 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2dm4 s ALA 81 CO 0.20 -0.05 0.81 0.00 0.00 0.00 0.00 175.76 176.73 2dm4 s ALA 82 N 0.31 3.64 0.10 0.00 0.00 -1.26 -0.98 121.76 123.57 2dm4 s ALA 82 Ca -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 2dm4 s ALA 82 Cb -0.04 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2dm4 s ALA 82 CO -0.01 -0.89 0.45 0.08 0.00 0.00 0.00 175.76 175.39 2dm4 s VAL 83 N 2.76 5.01 0.38 0.00 1.01 0.75 -2.73 120.40 127.58 2dm4 s VAL 83 Ca 0.34 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.96 2dm4 s VAL 83 Cb -0.15 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2dm4 s VAL 83 CO 0.08 0.28 0.11 0.42 0.00 0.00 0.00 175.10 175.99 2dm4 s THR 84 N -1.41 0.76 0.20 3.92 -4.23 -0.22 -1.60 115.64 113.06 2dm4 s THR 84 Ca 0.34 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.74 2dm4 s THR 84 Cb -0.14 -2.48 0.25 0.00 1.34 0.00 0.00 72.50 71.46 2dm4 s THR 84 CO 0.18 0.00 1.25 -0.24 -0.54 0.00 0.00 174.62 175.28 2dm4 n SER 85 N -1.08 -0.45 0.29 3.99 2.88 -1.25 -1.07 113.62 116.93 2dm4 n SER 85 Ca -0.05 1.40 -0.11 0.00 -1.33 0.00 0.00 58.87 58.78 2dm4 n SER 85 Cb 0.65 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.72 0.00 -1.46 2.43 -1.96 -3.50 114.38 109.18 2dm4 h ARG 86 Ca 0.32 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2dm4 h ARG 86 Cb 0.52 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2dm4 h ARG 86 CO -0.81 -0.48 0.00 0.41 -1.51 0.00 0.00 179.97 177.58 2dm4 n GLY 87 N -0.90 -0.57 3.77 2.80 0.00 -0.23 -5.14 105.19 104.91 2dm4 n GLY 87 Ca -0.09 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.12 2.76 0.00 -0.61 1.01 -1.26 -1.05 121.20 118.93 2dm4 s ILE 88 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.26 2dm4 s ILE 88 Cb 0.00 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2dm4 s ILE 88 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2dm4 n GLY 89 N 0.59 3.61 3.43 6.18 0.00 -1.10 -4.92 105.19 112.98 2dm4 n GLY 89 Ca 0.06 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.88 -4.50 1.61 4.13 -1.26 -4.87 115.26 108.48 2dm4 n ASN 90 Ca 0.00 -0.17 -0.33 0.00 1.68 0.00 0.00 54.58 55.76 2dm4 n ASN 90 Cb 0.00 -1.21 -0.12 0.00 -1.54 0.00 0.00 39.78 36.91 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 -2.37 2.84 0.67 3.10 0.52 -1.26 -4.35 118.94 118.09 2dm4 s TRP 91 Ca 0.67 -0.18 -0.14 0.00 0.02 0.00 0.00 56.10 56.46 2dm4 s TRP 91 Cb -0.23 -1.73 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 2dm4 s TRP 91 CO 0.66 0.16 1.10 -1.54 0.02 0.00 0.00 176.95 177.34 2dm4 s SER 92 N -0.48 5.15 -0.88 2.95 1.04 -0.66 -4.81 113.70 116.01 2dm4 s SER 92 Ca 0.07 1.92 -0.19 0.00 0.48 0.00 0.00 55.95 58.23 2dm4 s SER 92 Cb -0.12 -2.54 -0.23 0.00 0.10 0.00 0.00 66.02 63.23 2dm4 s SER 92 CO 0.02 -1.60 2.32 0.47 0.98 0.00 0.00 173.24 175.43 2dm4 n ASP 93 N -2.56 0.25 -4.66 7.02 9.92 -1.26 -4.66 116.55 120.60 2dm4 n ASP 93 Ca 0.10 -0.88 -0.48 0.00 -0.53 0.00 0.00 54.79 53.00 2dm4 n ASP 93 Cb 0.52 -1.09 -0.05 0.00 -0.64 0.00 0.00 41.12 39.86 2dm4 n ASP 93 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2dm4 n SER 94 N 12.00 2.82 -4.79 -2.24 7.64 -1.26 -4.88 113.62 122.91 2dm4 n SER 94 Ca 0.57 1.07 -0.28 0.00 1.01 0.00 0.00 58.87 61.24 2dm4 n SER 94 Cb 0.28 -1.35 -0.05 0.00 -1.01 0.00 0.00 64.21 62.07 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dm4 s LYS 95 N 1.59 2.21 0.04 1.43 -0.14 -0.92 -4.95 119.74 119.01 2dm4 s LYS 95 Ca 0.84 -2.10 0.04 0.00 -1.36 0.00 0.00 55.97 53.39 2dm4 s LYS 95 Cb -0.76 -1.86 -0.02 0.00 -1.68 0.00 0.00 37.83 33.51 2dm4 s LYS 95 CO 0.44 -0.36 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.44 2dm4 s SER 96 N -4.01 1.37 -0.06 2.83 0.01 -1.26 -1.58 113.70 111.00 2dm4 s SER 96 Ca 0.27 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 2dm4 s SER 96 Cb 0.01 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2dm4 s SER 96 CO 0.16 -0.05 0.14 -0.51 0.41 0.00 0.00 173.24 173.39 2dm4 s ILE 97 N -1.01 -0.04 -0.53 1.44 2.07 -0.48 -4.94 121.20 117.72 2dm4 s ILE 97 Ca -0.02 0.13 -0.20 0.00 -1.41 0.00 0.00 60.65 59.15 2dm4 s ILE 97 Cb -0.08 -0.22 0.06 0.00 0.13 0.00 0.00 42.46 42.34 2dm4 s ILE 97 CO 0.01 0.05 0.71 -0.89 -1.91 0.00 0.00 174.94 172.91 2dm4 s THR 98 N 0.87 4.75 1.13 4.00 2.01 -1.26 -1.17 115.64 125.97 2dm4 s THR 98 Ca -0.07 -0.37 -0.18 0.00 0.31 0.00 0.00 61.69 61.38 2dm4 s THR 98 Cb -0.09 -4.38 0.14 0.00 0.01 0.00 0.00 72.50 68.18 2dm4 s THR 98 CO -0.04 -0.92 0.11 0.35 -0.69 0.00 0.00 174.62 173.44 2dm4 n THR 99 N 5.74 0.00 -4.10 -0.82 -2.24 -0.61 -4.75 114.28 107.50 2dm4 n THR 99 Ca -0.05 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2dm4 n THR 99 Cb 0.46 -0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 67.96 2dm4 n THR 99 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2dm4 s ILE 100 N -2.21 0.50 -0.92 2.28 -4.36 -1.26 -2.38 121.20 112.85 2dm4 s ILE 100 Ca 0.54 -1.53 -0.09 0.00 -0.26 0.00 0.00 60.65 59.31 2dm4 s ILE 100 Cb -0.11 -1.16 0.23 0.00 1.25 0.00 0.00 42.46 42.67 2dm4 s ILE 100 CO 0.61 -0.70 0.86 -0.75 0.24 0.00 0.00 174.94 175.20 2dm4 s LYS 101 N -2.88 3.66 0.00 0.37 2.20 -1.26 -4.24 119.74 117.59 2dm4 s LYS 101 Ca 0.01 -2.88 0.00 0.00 -0.36 0.00 0.00 55.97 52.75 2dm4 s LYS 101 Cb -0.01 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 2dm4 s LYS 101 CO -0.04 -1.26 0.00 0.41 -0.36 0.00 0.00 175.35 174.11 2dm4 n GLY 102 N 3.20 3.92 0.06 5.54 0.00 -1.26 -5.01 105.19 111.63 2dm4 n GLY 102 Ca 0.18 -1.46 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 2dm4 n GLY 102 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dm4 h SER 103 N 0.00 0.00 -5.75 1.61 0.02 -1.92 -3.50 113.55 104.01 2dm4 h SER 103 Ca 0.00 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.43 2dm4 h SER 103 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dm4 h SER 103 CO 0.00 0.75 -0.91 0.61 -1.14 0.00 0.00 176.83 176.13 2dm4 n GLY 104 N 1.69 -1.62 1.25 -3.77 0.00 -1.26 -4.99 105.19 96.50 2dm4 n GLY 104 Ca -0.05 0.72 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 2dm4 n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm4 n PRO 105 N 0.39 -1.79 -0.00 1.61 -0.04 -1.26 -5.01 135.00 128.90 2dm4 n PRO 105 Ca 0.01 -0.62 0.03 0.00 -0.04 0.00 0.00 63.50 62.88 2dm4 n PRO 105 Cb 0.38 -0.58 -0.04 0.00 -0.04 0.00 0.00 33.50 33.21 2dm4 n PRO 105 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dm4 n SER 106 N -3.67 2.11 -4.85 3.54 3.41 -1.26 -5.00 113.62 107.90 2dm4 n SER 106 Ca 0.05 -0.28 -0.37 0.00 -0.26 0.00 0.00 58.87 58.01 2dm4 n SER 106 Cb 0.21 1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 65.27 2dm4 n SER 106 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dm4 s SER 107 N -2.26 6.54 0.00 4.04 1.04 -1.26 -5.38 113.70 116.42 2dm4 s SER 107 Ca -0.00 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2dm4 s SER 107 Cb 0.04 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 64.02 2dm4 s SER 107 CO 0.27 0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.46